PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.791 REMARK SCORE 0.791 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 1 PARENT 1VDR_A ATOM 1 N MET 1 10.266 -10.291 31.084 1.00 74.17 1SG 2 ATOM 2 CA MET 1 10.583 -11.710 31.356 1.00 74.17 1SG 3 ATOM 3 CB MET 1 10.298 -12.055 32.826 1.00 74.17 1SG 4 ATOM 4 CG MET 1 10.609 -13.515 33.165 1.00 74.17 1SG 5 ATOM 5 SD MET 1 10.304 -13.982 34.894 1.00 74.17 1SG 6 ATOM 6 CE MET 1 10.692 -15.738 34.646 1.00 74.17 1SG 7 ATOM 7 C MET 1 9.743 -12.599 30.506 1.00 74.17 1SG 8 ATOM 8 O MET 1 10.099 -12.915 29.372 1.00 74.17 1SG 9 ATOM 9 N GLU 2 8.582 -13.020 31.040 1.00 21.53 1SG 10 ATOM 10 CA GLU 2 7.726 -13.890 30.298 1.00 21.53 1SG 11 ATOM 11 CB GLU 2 6.457 -14.316 31.054 1.00 21.53 1SG 12 ATOM 12 CG GLU 2 6.716 -15.269 32.222 1.00 21.53 1SG 13 ATOM 13 CD GLU 2 5.371 -15.621 32.843 1.00 21.53 1SG 14 ATOM 14 OE1 GLU 2 4.341 -15.076 32.363 1.00 21.53 1SG 15 ATOM 15 OE2 GLU 2 5.355 -16.441 33.799 1.00 21.53 1SG 16 ATOM 16 C GLU 2 7.293 -13.161 29.073 1.00 21.53 1SG 17 ATOM 17 O GLU 2 7.240 -13.735 27.987 1.00 21.53 1SG 18 ATOM 18 N ARG 3 7.004 -11.854 29.204 1.00 69.44 1SG 19 ATOM 19 CA ARG 3 6.517 -11.112 28.080 1.00 69.44 1SG 20 ATOM 20 CB ARG 3 6.114 -9.670 28.417 1.00 69.44 1SG 21 ATOM 21 CG ARG 3 4.859 -9.592 29.286 1.00 69.44 1SG 22 ATOM 22 CD ARG 3 4.399 -8.166 29.586 1.00 69.44 1SG 23 ATOM 23 NE ARG 3 3.088 -8.281 30.279 1.00 69.44 1SG 24 ATOM 24 CZ ARG 3 2.422 -7.168 30.702 1.00 69.44 1SG 25 ATOM 25 NH1 ARG 3 2.963 -5.927 30.524 1.00 69.44 1SG 26 ATOM 26 NH2 ARG 3 1.205 -7.304 31.303 1.00 69.44 1SG 27 ATOM 27 C ARG 3 7.577 -11.057 27.039 1.00 69.44 1SG 28 ATOM 28 O ARG 3 8.768 -10.912 27.308 1.00 69.44 1SG 29 ATOM 29 N PRO 4 7.125 -11.228 25.831 1.00105.19 1SG 30 ATOM 30 CA PRO 4 8.038 -11.112 24.744 1.00105.19 1SG 31 ATOM 31 CD PRO 4 6.042 -12.153 25.540 1.00105.19 1SG 32 ATOM 32 CB PRO 4 7.351 -11.718 23.529 1.00105.19 1SG 33 ATOM 33 CG PRO 4 6.368 -12.726 24.147 1.00105.19 1SG 34 ATOM 34 C PRO 4 8.303 -9.664 24.601 1.00105.19 1SG 35 ATOM 35 O PRO 4 7.386 -8.854 24.745 1.00105.19 1SG 36 ATOM 36 N LYS 5 9.554 -9.300 24.330 1.00259.31 1SG 37 ATOM 37 CA LYS 5 9.839 -7.920 24.159 1.00259.31 1SG 38 ATOM 38 CB LYS 5 10.092 -7.187 25.494 1.00259.31 1SG 39 ATOM 39 CG LYS 5 9.653 -5.720 25.465 1.00259.31 1SG 40 ATOM 40 CD LYS 5 9.470 -5.111 26.864 1.00259.31 1SG 41 ATOM 41 CE LYS 5 10.772 -4.848 27.615 1.00259.31 1SG 42 ATOM 42 NZ LYS 5 10.539 -4.270 28.937 1.00259.31 1SG 43 ATOM 43 C LYS 5 11.045 -7.941 23.282 1.00259.31 1SG 44 ATOM 44 O LYS 5 11.438 -9.007 22.811 1.00259.31 1SG 45 ATOM 45 N LEU 6 11.666 -6.793 22.990 1.00266.64 1SG 46 ATOM 46 CA LEU 6 12.761 -6.802 22.053 1.00266.64 1SG 47 ATOM 47 CB LEU 6 12.937 -5.361 21.501 1.00266.64 1SG 48 ATOM 48 CG LEU 6 13.867 -5.033 20.309 1.00266.64 1SG 49 ATOM 49 CD2 LEU 6 13.267 -5.513 18.981 1.00266.64 1SG 50 ATOM 50 CD1 LEU 6 15.351 -5.355 20.564 1.00266.64 1SG 51 ATOM 51 C LEU 6 13.977 -7.278 22.817 1.00266.64 1SG 52 ATOM 52 O LEU 6 14.982 -6.584 22.981 1.00266.64 1SG 53 ATOM 53 N GLY 7 13.993 -8.566 23.187 1.00107.61 1SG 54 ATOM 54 CA GLY 7 15.002 -8.907 24.124 1.00107.61 1SG 55 ATOM 55 C GLY 7 14.393 -8.174 25.241 1.00107.61 1SG 56 ATOM 56 O GLY 7 13.200 -8.381 25.491 1.00107.61 1SG 57 ATOM 57 N LEU 8 15.122 -7.339 25.997 1.00214.52 1SG 58 ATOM 58 CA LEU 8 14.265 -6.538 26.812 1.00214.52 1SG 59 ATOM 59 CB LEU 8 14.982 -5.568 27.784 1.00214.52 1SG 60 ATOM 60 CG LEU 8 15.912 -6.219 28.833 1.00214.52 1SG 61 ATOM 61 CD2 LEU 8 16.258 -5.252 29.990 1.00214.52 1SG 62 ATOM 62 CD1 LEU 8 17.171 -6.813 28.171 1.00214.52 1SG 63 ATOM 63 C LEU 8 13.600 -5.679 25.784 1.00214.52 1SG 64 ATOM 64 O LEU 8 12.381 -5.676 25.607 1.00214.52 1SG 65 ATOM 65 N ILE 9 14.432 -4.984 24.997 1.00157.15 1SG 66 ATOM 66 CA ILE 9 14.133 -4.145 23.868 1.00157.15 1SG 67 ATOM 67 CB ILE 9 13.003 -3.152 23.987 1.00157.15 1SG 68 ATOM 68 CG2 ILE 9 13.280 -1.943 23.081 1.00157.15 1SG 69 ATOM 69 CG1 ILE 9 11.660 -3.814 23.704 1.00157.15 1SG 70 ATOM 70 CD1 ILE 9 10.595 -2.748 23.487 1.00157.15 1SG 71 ATOM 71 C ILE 9 15.353 -3.345 23.648 1.00157.15 1SG 72 ATOM 72 O ILE 9 15.630 -2.431 24.416 1.00157.15 1SG 73 ATOM 73 N VAL 10 16.140 -3.617 22.591 1.00 94.98 1SG 74 ATOM 74 CA VAL 10 17.355 -2.860 22.533 1.00 94.98 1SG 75 ATOM 75 CB VAL 10 18.457 -3.419 23.458 1.00 94.98 1SG 76 ATOM 76 CG1 VAL 10 19.644 -2.446 23.552 1.00 94.98 1SG 77 ATOM 77 CG2 VAL 10 17.961 -3.758 24.880 1.00 94.98 1SG 78 ATOM 78 C VAL 10 17.832 -2.892 21.093 1.00 94.98 1SG 79 ATOM 79 O VAL 10 17.122 -3.304 20.177 1.00 94.98 1SG 80 ATOM 80 N ARG 11 19.054 -2.407 20.844 1.00185.08 1SG 81 ATOM 81 CA ARG 11 19.630 -2.439 19.551 1.00185.08 1SG 82 ATOM 82 CB ARG 11 20.905 -1.585 19.446 1.00185.08 1SG 83 ATOM 83 CG ARG 11 21.431 -1.338 18.031 1.00185.08 1SG 84 ATOM 84 CD ARG 11 22.749 -0.558 18.049 1.00185.08 1SG 85 ATOM 85 NE ARG 11 23.158 -0.264 16.645 1.00185.08 1SG 86 ATOM 86 CZ ARG 11 24.009 0.777 16.416 1.00185.08 1SG 87 ATOM 87 NH1 ARG 11 24.487 1.490 17.478 1.00185.08 1SG 88 ATOM 88 NH2 ARG 11 24.380 1.126 15.148 1.00185.08 1SG 89 ATOM 89 C ARG 11 19.984 -3.862 19.308 1.00185.08 1SG 90 ATOM 90 O ARG 11 19.868 -4.700 20.199 1.00185.08 1SG 91 ATOM 91 N GLU 12 20.404 -4.175 18.071 1.00 74.15 1SG 92 ATOM 92 CA GLU 12 20.681 -5.524 17.687 1.00 74.15 1SG 93 ATOM 93 CB GLU 12 21.118 -5.578 16.213 1.00 74.15 1SG 94 ATOM 94 CG GLU 12 21.317 -6.986 15.658 1.00 74.15 1SG 95 ATOM 95 CD GLU 12 22.795 -7.313 15.780 1.00 74.15 1SG 96 ATOM 96 OE1 GLU 12 23.594 -6.372 16.022 1.00 74.15 1SG 97 ATOM 97 OE2 GLU 12 23.149 -8.510 15.615 1.00 74.15 1SG 98 ATOM 98 C GLU 12 21.756 -6.108 18.553 1.00 74.15 1SG 99 ATOM 99 O GLU 12 21.605 -7.233 19.027 1.00 74.15 1SG 100 ATOM 100 N PRO 13 22.822 -5.416 18.826 1.00 73.03 1SG 101 ATOM 101 CA PRO 13 23.886 -6.034 19.569 1.00 73.03 1SG 102 ATOM 102 CD PRO 13 23.304 -4.353 17.965 1.00 73.03 1SG 103 ATOM 103 CB PRO 13 25.120 -5.151 19.356 1.00 73.03 1SG 104 ATOM 104 CG PRO 13 24.588 -3.884 18.658 1.00 73.03 1SG 105 ATOM 105 C PRO 13 23.589 -6.354 21.002 1.00 73.03 1SG 106 ATOM 106 O PRO 13 24.215 -7.265 21.541 1.00 73.03 1SG 107 ATOM 107 N TYR 14 22.660 -5.628 21.646 1.00147.94 1SG 108 ATOM 108 CA TYR 14 22.393 -5.839 23.040 1.00147.94 1SG 109 ATOM 109 CB TYR 14 21.387 -4.813 23.568 1.00147.94 1SG 110 ATOM 110 CG TYR 14 21.072 -5.071 25.000 1.00147.94 1SG 111 ATOM 111 CD1 TYR 14 21.823 -4.518 26.013 1.00147.94 1SG 112 ATOM 112 CD2 TYR 14 20.008 -5.881 25.324 1.00147.94 1SG 113 ATOM 113 CE1 TYR 14 21.501 -4.762 27.328 1.00147.94 1SG 114 ATOM 114 CE2 TYR 14 19.682 -6.130 26.634 1.00147.94 1SG 115 ATOM 115 CZ TYR 14 20.429 -5.566 27.638 1.00147.94 1SG 116 ATOM 116 OH TYR 14 20.099 -5.811 28.987 1.00147.94 1SG 117 ATOM 117 C TYR 14 21.830 -7.205 23.268 1.00147.94 1SG 118 ATOM 118 O TYR 14 22.273 -7.925 24.161 1.00147.94 1SG 119 ATOM 119 N ALA 15 20.835 -7.607 22.459 1.00 41.55 1SG 120 ATOM 120 CA ALA 15 20.221 -8.889 22.657 1.00 41.55 1SG 121 ATOM 121 CB ALA 15 19.091 -9.151 21.649 1.00 41.55 1SG 122 ATOM 122 C ALA 15 21.278 -9.908 22.424 1.00 41.55 1SG 123 ATOM 123 O ALA 15 21.382 -10.900 23.144 1.00 41.55 1SG 124 ATOM 124 N SER 16 22.111 -9.664 21.401 1.00 60.14 1SG 125 ATOM 125 CA SER 16 23.157 -10.582 21.080 1.00 60.14 1SG 126 ATOM 126 CB SER 16 24.004 -10.117 19.878 1.00 60.14 1SG 127 ATOM 127 OG SER 16 25.029 -11.063 19.605 1.00 60.14 1SG 128 ATOM 128 C SER 16 24.055 -10.648 22.267 1.00 60.14 1SG 129 ATOM 129 O SER 16 24.647 -11.684 22.566 1.00 60.14 1SG 130 ATOM 130 N LEU 17 24.179 -9.526 22.995 1.00137.18 1SG 131 ATOM 131 CA LEU 17 25.045 -9.511 24.133 1.00137.18 1SG 132 ATOM 132 CB LEU 17 25.159 -8.126 24.790 1.00137.18 1SG 133 ATOM 133 CG LEU 17 26.095 -8.108 26.013 1.00137.18 1SG 134 ATOM 134 CD2 LEU 17 26.029 -6.764 26.746 1.00137.18 1SG 135 ATOM 135 CD1 LEU 17 27.532 -8.501 25.620 1.00137.18 1SG 136 ATOM 136 C LEU 17 24.525 -10.460 25.166 1.00137.18 1SG 137 ATOM 137 O LEU 17 25.297 -11.229 25.735 1.00137.18 1SG 138 ATOM 138 N ILE 18 23.202 -10.463 25.431 1.00188.30 1SG 139 ATOM 139 CA ILE 18 22.747 -11.325 26.482 1.00188.30 1SG 140 ATOM 140 CB ILE 18 21.661 -10.682 27.301 1.00188.30 1SG 141 ATOM 141 CG2 ILE 18 20.463 -10.392 26.380 1.00188.30 1SG 142 ATOM 142 CG1 ILE 18 21.332 -11.531 28.540 1.00188.30 1SG 143 ATOM 143 CD1 ILE 18 20.434 -10.813 29.548 1.00188.30 1SG 144 ATOM 144 C ILE 18 22.203 -12.589 25.895 1.00188.30 1SG 145 ATOM 145 O ILE 18 21.122 -13.051 26.265 1.00188.30 1SG 146 ATOM 146 N VAL 19 22.966 -13.207 24.976 1.00 77.90 1SG 147 ATOM 147 CA VAL 19 22.553 -14.466 24.435 1.00 77.90 1SG 148 ATOM 148 CB VAL 19 23.408 -14.933 23.291 1.00 77.90 1SG 149 ATOM 149 CG1 VAL 19 23.025 -16.385 22.957 1.00 77.90 1SG 150 ATOM 150 CG2 VAL 19 23.215 -13.970 22.109 1.00 77.90 1SG 151 ATOM 151 C VAL 19 22.681 -15.473 25.525 1.00 77.90 1SG 152 ATOM 152 O VAL 19 21.807 -16.315 25.729 1.00 77.90 1SG 153 ATOM 153 N ASP 20 23.784 -15.373 26.288 1.00175.91 1SG 154 ATOM 154 CA ASP 20 24.067 -16.346 27.296 1.00175.91 1SG 155 ATOM 155 CB ASP 20 25.456 -16.184 27.940 1.00175.91 1SG 156 ATOM 156 CG ASP 20 26.511 -16.571 26.913 1.00175.91 1SG 157 ATOM 157 OD1 ASP 20 26.119 -16.981 25.788 1.00175.91 1SG 158 ATOM 158 OD2 ASP 20 27.723 -16.471 27.242 1.00175.91 1SG 159 ATOM 159 C ASP 20 23.053 -16.252 28.379 1.00175.91 1SG 160 ATOM 160 O ASP 20 22.730 -15.173 28.873 1.00175.91 1SG 161 ATOM 161 N GLY 21 22.509 -17.424 28.747 1.00139.72 1SG 162 ATOM 162 CA GLY 21 21.574 -17.540 29.820 1.00139.72 1SG 163 ATOM 163 C GLY 21 21.931 -18.827 30.480 1.00139.72 1SG 164 ATOM 164 O GLY 21 22.263 -19.801 29.810 1.00139.72 1SG 165 ATOM 165 N ARG 22 21.871 -18.866 31.824 1.00245.94 1SG 166 ATOM 166 CA ARG 22 22.255 -20.078 32.477 1.00245.94 1SG 167 ATOM 167 CB ARG 22 23.473 -19.901 33.397 1.00245.94 1SG 168 ATOM 168 CG ARG 22 23.937 -21.193 34.068 1.00245.94 1SG 169 ATOM 169 CD ARG 22 25.151 -20.995 34.976 1.00245.94 1SG 170 ATOM 170 NE ARG 22 25.527 -22.330 35.519 1.00245.94 1SG 171 ATOM 171 CZ ARG 22 26.781 -22.523 36.021 1.00245.94 1SG 172 ATOM 172 NH1 ARG 22 27.680 -21.496 36.021 1.00245.94 1SG 173 ATOM 173 NH2 ARG 22 27.134 -23.743 36.524 1.00245.94 1SG 174 ATOM 174 C ARG 22 21.113 -20.507 33.328 1.00245.94 1SG 175 ATOM 175 O ARG 22 20.496 -19.698 34.016 1.00245.94 1SG 176 ATOM 176 N LYS 23 20.787 -21.809 33.289 1.00221.86 1SG 177 ATOM 177 CA LYS 23 19.716 -22.254 34.117 1.00221.86 1SG 178 ATOM 178 CB LYS 23 18.594 -22.978 33.362 1.00221.86 1SG 179 ATOM 179 CG LYS 23 17.484 -23.425 34.310 1.00221.86 1SG 180 ATOM 180 CD LYS 23 16.180 -23.838 33.636 1.00221.86 1SG 181 ATOM 181 CE LYS 23 15.102 -24.224 34.650 1.00221.86 1SG 182 ATOM 182 NZ LYS 23 13.912 -24.756 33.955 1.00221.86 1SG 183 ATOM 183 C LYS 23 20.269 -23.222 35.101 1.00221.86 1SG 184 ATOM 184 O LYS 23 20.911 -24.202 34.733 1.00221.86 1SG 185 ATOM 185 N VAL 24 20.050 -22.947 36.400 1.00 68.87 1SG 186 ATOM 186 CA VAL 24 20.522 -23.896 37.358 1.00 68.87 1SG 187 ATOM 187 CB VAL 24 21.526 -23.326 38.321 1.00 68.87 1SG 188 ATOM 188 CG1 VAL 24 21.930 -24.424 39.322 1.00 68.87 1SG 189 ATOM 189 CG2 VAL 24 22.704 -22.748 37.521 1.00 68.87 1SG 190 ATOM 190 C VAL 24 19.337 -24.309 38.158 1.00 68.87 1SG 191 ATOM 191 O VAL 24 18.800 -23.524 38.940 1.00 68.87 1SG 192 ATOM 192 N TRP 25 18.889 -25.566 37.973 1.00249.38 1SG 193 ATOM 193 CA TRP 25 17.815 -26.015 38.794 1.00249.38 1SG 194 ATOM 194 CB TRP 25 16.608 -26.576 38.016 1.00249.38 1SG 195 ATOM 195 CG TRP 25 15.426 -26.870 38.915 1.00249.38 1SG 196 ATOM 196 CD2 TRP 25 14.314 -25.980 39.144 1.00249.38 1SG 197 ATOM 197 CD1 TRP 25 15.181 -27.984 39.662 1.00249.38 1SG 198 ATOM 198 NE1 TRP 25 14.001 -27.840 40.356 1.00249.38 1SG 199 ATOM 199 CE2 TRP 25 13.461 -26.611 40.046 1.00249.38 1SG 200 ATOM 200 CE3 TRP 25 14.022 -24.746 38.637 1.00249.38 1SG 201 ATOM 201 CZ2 TRP 25 12.305 -26.010 40.464 1.00249.38 1SG 202 ATOM 202 CZ3 TRP 25 12.862 -24.139 39.068 1.00249.38 1SG 203 ATOM 203 CH2 TRP 25 12.022 -24.758 39.967 1.00249.38 1SG 204 ATOM 204 C TRP 25 18.389 -27.129 39.598 1.00249.38 1SG 205 ATOM 205 O TRP 25 18.535 -28.250 39.117 1.00249.38 1SG 206 ATOM 206 N GLU 26 18.752 -26.838 40.859 1.00220.51 1SG 207 ATOM 207 CA GLU 26 19.293 -27.869 41.687 1.00220.51 1SG 208 ATOM 208 CB GLU 26 20.400 -27.373 42.633 1.00220.51 1SG 209 ATOM 209 CG GLU 26 20.984 -28.481 43.510 1.00220.51 1SG 210 ATOM 210 CD GLU 26 21.882 -27.811 44.537 1.00220.51 1SG 211 ATOM 211 OE1 GLU 26 22.005 -26.558 44.485 1.00220.51 1SG 212 ATOM 212 OE2 GLU 26 22.440 -28.536 45.403 1.00220.51 1SG 213 ATOM 213 C GLU 26 18.160 -28.321 42.532 1.00220.51 1SG 214 ATOM 214 O GLU 26 17.662 -27.567 43.362 1.00220.51 1SG 215 ATOM 215 N ILE 27 17.722 -29.582 42.352 1.00136.28 1SG 216 ATOM 216 CA ILE 27 16.597 -29.951 43.142 1.00136.28 1SG 217 ATOM 217 CB ILE 27 15.421 -30.565 42.435 1.00136.28 1SG 218 ATOM 218 CG2 ILE 27 15.797 -31.968 41.927 1.00136.28 1SG 219 ATOM 219 CG1 ILE 27 14.247 -30.588 43.437 1.00136.28 1SG 220 ATOM 220 CD1 ILE 27 12.919 -31.085 42.872 1.00136.28 1SG 221 ATOM 221 C ILE 27 16.978 -30.949 44.163 1.00136.28 1SG 222 ATOM 222 O ILE 27 17.706 -31.906 43.916 1.00136.28 1SG 223 ATOM 223 N ARG 28 16.470 -30.673 45.369 1.00231.77 1SG 224 ATOM 224 CA ARG 28 16.500 -31.515 46.513 1.00231.77 1SG 225 ATOM 225 CB ARG 28 17.450 -31.080 47.641 1.00231.77 1SG 226 ATOM 226 CG ARG 28 17.638 -32.243 48.609 1.00231.77 1SG 227 ATOM 227 CD ARG 28 18.536 -32.012 49.819 1.00231.77 1SG 228 ATOM 228 NE ARG 28 18.518 -33.325 50.519 1.00231.77 1SG 229 ATOM 229 CZ ARG 28 19.225 -33.533 51.664 1.00231.77 1SG 230 ATOM 230 NH1 ARG 28 20.004 -32.539 52.177 1.00231.77 1SG 231 ATOM 231 NH2 ARG 28 19.133 -34.740 52.296 1.00231.77 1SG 232 ATOM 232 C ARG 28 15.098 -31.336 46.968 1.00231.77 1SG 233 ATOM 233 O ARG 28 14.167 -31.598 46.211 1.00231.77 1SG 234 ATOM 234 N ARG 29 14.867 -30.913 48.214 1.00269.48 1SG 235 ATOM 235 CA ARG 29 13.492 -30.623 48.448 1.00269.48 1SG 236 ATOM 236 CB ARG 29 13.028 -31.216 49.797 1.00269.48 1SG 237 ATOM 237 CG ARG 29 11.510 -31.292 49.952 1.00269.48 1SG 238 ATOM 238 CD ARG 29 11.030 -32.664 50.445 1.00269.48 1SG 239 ATOM 239 NE ARG 29 10.570 -32.600 51.864 1.00269.48 1SG 240 ATOM 240 CZ ARG 29 9.561 -33.432 52.266 1.00269.48 1SG 241 ATOM 241 NH1 ARG 29 8.895 -34.193 51.349 1.00269.48 1SG 242 ATOM 242 NH2 ARG 29 9.202 -33.506 53.582 1.00269.48 1SG 243 ATOM 243 C ARG 29 13.407 -29.121 48.436 1.00269.48 1SG 244 ATOM 244 O ARG 29 13.008 -28.527 49.438 1.00269.48 1SG 245 ATOM 245 N ARG 30 13.727 -28.480 47.268 1.00313.84 1SG 246 ATOM 246 CA ARG 30 13.820 -27.030 47.152 1.00313.84 1SG 247 ATOM 247 CB ARG 30 15.152 -26.551 47.763 1.00313.84 1SG 248 ATOM 248 CG ARG 30 15.261 -26.980 49.244 1.00313.84 1SG 249 ATOM 249 CD ARG 30 16.607 -26.709 49.922 1.00313.84 1SG 250 ATOM 250 NE ARG 30 16.541 -27.170 51.345 1.00313.84 1SG 251 ATOM 251 CZ ARG 30 17.135 -28.327 51.726 1.00313.84 1SG 252 ATOM 252 NH1 ARG 30 17.722 -29.128 50.781 1.00313.84 1SG 253 ATOM 253 NH2 ARG 30 17.167 -28.700 53.038 1.00313.84 1SG 254 ATOM 254 C ARG 30 13.641 -26.552 45.689 1.00313.84 1SG 255 ATOM 255 O ARG 30 13.419 -27.384 44.810 1.00313.84 1SG 256 ATOM 256 N LYS 31 13.735 -25.204 45.378 1.00324.04 1SG 257 ATOM 257 CA LYS 31 13.348 -24.616 44.075 1.00324.04 1SG 258 ATOM 258 CB LYS 31 11.993 -23.886 44.214 1.00324.04 1SG 259 ATOM 259 CG LYS 31 10.953 -24.635 45.070 1.00324.04 1SG 260 ATOM 260 CD LYS 31 11.256 -24.594 46.578 1.00324.04 1SG 261 ATOM 261 CE LYS 31 10.193 -25.222 47.486 1.00324.04 1SG 262 ATOM 262 NZ LYS 31 10.670 -25.209 48.892 1.00324.04 1SG 263 ATOM 263 C LYS 31 14.356 -23.563 43.532 1.00324.04 1SG 264 ATOM 264 O LYS 31 15.244 -23.165 44.281 1.00324.04 1SG 265 ATOM 265 N THR 32 14.246 -23.083 42.223 1.00302.76 1SG 266 ATOM 266 CA THR 32 15.165 -22.100 41.596 1.00302.76 1SG 267 ATOM 267 CB THR 32 16.429 -22.733 41.092 1.00302.76 1SG 268 ATOM 268 OG1 THR 32 16.139 -23.630 40.035 1.00302.76 1SG 269 ATOM 269 CG2 THR 32 17.086 -23.503 42.255 1.00302.76 1SG 270 ATOM 270 C THR 32 14.543 -21.227 40.460 1.00302.76 1SG 271 ATOM 271 O THR 32 13.318 -21.192 40.337 1.00302.76 1SG 272 ATOM 272 N ARG 33 15.374 -20.507 39.598 1.00241.89 1SG 273 ATOM 273 CA ARG 33 14.955 -19.476 38.608 1.00241.89 1SG 274 ATOM 274 CB ARG 33 15.168 -18.068 39.197 1.00241.89 1SG 275 ATOM 275 CG ARG 33 16.602 -17.940 39.739 1.00241.89 1SG 276 ATOM 276 CD ARG 33 17.173 -16.525 39.771 1.00241.89 1SG 277 ATOM 277 NE ARG 33 18.620 -16.612 40.104 1.00241.89 1SG 278 ATOM 278 CZ ARG 33 19.547 -16.935 39.156 1.00241.89 1SG 279 ATOM 279 NH1 ARG 33 19.120 -17.416 37.946 1.00241.89 1SG 280 ATOM 280 NH2 ARG 33 20.869 -16.769 39.405 1.00241.89 1SG 281 ATOM 281 C ARG 33 15.647 -19.475 37.219 1.00241.89 1SG 282 ATOM 282 O ARG 33 16.542 -20.276 36.963 1.00241.89 1SG 283 ATOM 283 N HIS 34 15.214 -18.554 36.270 1.00149.59 1SG 284 ATOM 284 CA HIS 34 15.721 -18.422 34.896 1.00149.59 1SG 285 ATOM 285 ND1 HIS 34 15.489 -19.747 31.491 1.00149.59 1SG 286 ATOM 286 CG HIS 34 15.925 -19.875 32.790 1.00149.59 1SG 287 ATOM 287 CB HIS 34 15.109 -19.517 34.003 1.00149.59 1SG 288 ATOM 288 NE2 HIS 34 17.534 -20.615 31.387 1.00149.59 1SG 289 ATOM 289 CD2 HIS 34 17.177 -20.407 32.710 1.00149.59 1SG 290 ATOM 290 CE1 HIS 34 16.490 -20.204 30.696 1.00149.59 1SG 291 ATOM 291 C HIS 34 15.428 -17.032 34.335 1.00149.59 1SG 292 ATOM 292 O HIS 34 14.591 -16.297 34.855 1.00149.59 1SG 293 ATOM 293 N ARG 35 16.153 -16.660 33.248 1.00202.31 1SG 294 ATOM 294 CA ARG 35 16.232 -15.376 32.571 1.00202.31 1SG 295 ATOM 295 CB ARG 35 17.365 -15.421 31.545 1.00202.31 1SG 296 ATOM 296 CG ARG 35 17.294 -14.370 30.445 1.00202.31 1SG 297 ATOM 297 CD ARG 35 17.310 -12.918 30.896 1.00202.31 1SG 298 ATOM 298 NE ARG 35 17.586 -12.141 29.659 1.00202.31 1SG 299 ATOM 299 CZ ARG 35 16.645 -12.089 28.672 1.00202.31 1SG 300 ATOM 300 NH1 ARG 35 15.513 -12.844 28.756 1.00202.31 1SG 301 ATOM 301 NH2 ARG 35 16.856 -11.297 27.579 1.00202.31 1SG 302 ATOM 302 C ARG 35 15.003 -14.800 31.904 1.00202.31 1SG 303 ATOM 303 O ARG 35 14.603 -13.689 32.255 1.00202.31 1SG 304 ATOM 304 N GLY 36 14.353 -15.479 30.932 1.00 55.38 1SG 305 ATOM 305 CA GLY 36 13.218 -14.815 30.343 1.00 55.38 1SG 306 ATOM 306 C GLY 36 13.006 -15.271 28.936 1.00 55.38 1SG 307 ATOM 307 O GLY 36 13.921 -15.588 28.177 1.00 55.38 1SG 308 ATOM 308 N PRO 37 11.755 -15.264 28.591 1.00 98.09 1SG 309 ATOM 309 CA PRO 37 11.404 -15.660 27.262 1.00 98.09 1SG 310 ATOM 310 CD PRO 37 10.740 -15.675 29.546 1.00 98.09 1SG 311 ATOM 311 CB PRO 37 9.970 -16.186 27.311 1.00 98.09 1SG 312 ATOM 312 CG PRO 37 9.464 -15.783 28.702 1.00 98.09 1SG 313 ATOM 313 C PRO 37 11.611 -14.546 26.302 1.00 98.09 1SG 314 ATOM 314 O PRO 37 11.928 -13.437 26.729 1.00 98.09 1SG 315 ATOM 315 N LEU 38 11.402 -14.885 25.015 1.00207.72 1SG 316 ATOM 316 CA LEU 38 11.518 -14.164 23.776 1.00207.72 1SG 317 ATOM 317 CB LEU 38 10.199 -13.996 23.007 1.00207.72 1SG 318 ATOM 318 CG LEU 38 10.410 -13.155 21.736 1.00207.72 1SG 319 ATOM 319 CD2 LEU 38 9.090 -12.703 21.113 1.00207.72 1SG 320 ATOM 320 CD1 LEU 38 11.366 -13.860 20.764 1.00207.72 1SG 321 ATOM 321 C LEU 38 12.105 -12.801 23.837 1.00207.72 1SG 322 ATOM 322 O LEU 38 11.835 -11.967 24.702 1.00207.72 1SG 323 ATOM 323 N GLY 39 12.950 -12.564 22.820 1.00 67.05 1SG 324 ATOM 324 CA GLY 39 13.534 -11.286 22.608 1.00 67.05 1SG 325 ATOM 325 C GLY 39 13.256 -10.945 21.174 1.00 67.05 1SG 326 ATOM 326 O GLY 39 13.160 -11.804 20.304 1.00 67.05 1SG 327 ATOM 327 N ILE 40 13.103 -9.641 20.913 1.00102.42 1SG 328 ATOM 328 CA ILE 40 12.867 -9.105 19.619 1.00102.42 1SG 329 ATOM 329 CB ILE 40 11.614 -8.281 19.570 1.00102.42 1SG 330 ATOM 330 CG2 ILE 40 11.436 -7.662 18.173 1.00102.42 1SG 331 ATOM 331 CG1 ILE 40 10.438 -9.199 19.942 1.00102.42 1SG 332 ATOM 332 CD1 ILE 40 9.103 -8.480 20.144 1.00102.42 1SG 333 ATOM 333 C ILE 40 14.096 -8.295 19.394 1.00102.42 1SG 334 ATOM 334 O ILE 40 14.822 -7.998 20.329 1.00102.42 1SG 335 ATOM 335 N VAL 41 14.436 -8.003 18.130 1.00 56.23 1SG 336 ATOM 336 CA VAL 41 15.636 -7.257 17.903 1.00 56.23 1SG 337 ATOM 337 CB VAL 41 16.719 -8.089 17.279 1.00 56.23 1SG 338 ATOM 338 CG1 VAL 41 17.963 -7.214 17.058 1.00 56.23 1SG 339 ATOM 339 CG2 VAL 41 16.957 -9.313 18.177 1.00 56.23 1SG 340 ATOM 340 C VAL 41 15.286 -6.182 16.940 1.00 56.23 1SG 341 ATOM 341 O VAL 41 14.352 -6.322 16.165 1.00 56.23 1SG 342 ATOM 342 N SER 42 16.018 -5.051 16.996 1.00 75.62 1SG 343 ATOM 343 CA SER 42 15.768 -3.998 16.058 1.00 75.62 1SG 344 ATOM 344 CB SER 42 15.755 -2.590 16.679 1.00 75.62 1SG 345 ATOM 345 OG SER 42 15.448 -1.617 15.693 1.00 75.62 1SG 346 ATOM 346 C SER 42 16.903 -4.035 15.090 1.00 75.62 1SG 347 ATOM 347 O SER 42 18.058 -4.202 15.479 1.00 75.62 1SG 348 ATOM 348 N GLY 43 16.592 -3.902 13.786 1.00 28.43 1SG 349 ATOM 349 CA GLY 43 17.636 -3.956 12.808 1.00 28.43 1SG 350 ATOM 350 C GLY 43 17.130 -4.804 11.690 1.00 28.43 1SG 351 ATOM 351 O GLY 43 16.010 -5.307 11.731 1.00 28.43 1SG 352 ATOM 352 N GLY 44 17.957 -4.989 10.645 1.00 92.64 1SG 353 ATOM 353 CA GLY 44 17.504 -5.798 9.553 1.00 92.64 1SG 354 ATOM 354 C GLY 44 18.620 -6.710 9.170 1.00 92.64 1SG 355 ATOM 355 O GLY 44 19.605 -6.294 8.563 1.00 92.64 1SG 356 ATOM 356 N ARG 45 18.464 -7.999 9.520 1.00 81.46 1SG 357 ATOM 357 CA ARG 45 19.417 -9.023 9.214 1.00 81.46 1SG 358 ATOM 358 CB ARG 45 20.577 -9.144 10.220 1.00 81.46 1SG 359 ATOM 359 CG ARG 45 21.667 -8.074 10.106 1.00 81.46 1SG 360 ATOM 360 CD ARG 45 21.300 -6.705 10.683 1.00 81.46 1SG 361 ATOM 361 NE ARG 45 22.517 -5.846 10.590 1.00 81.46 1SG 362 ATOM 362 CZ ARG 45 23.436 -5.842 11.600 1.00 81.46 1SG 363 ATOM 363 NH1 ARG 45 23.241 -6.625 12.702 1.00 81.46 1SG 364 ATOM 364 NH2 ARG 45 24.549 -5.057 11.515 1.00 81.46 1SG 365 ATOM 365 C ARG 45 18.662 -10.306 9.306 1.00 81.46 1SG 366 ATOM 366 O ARG 45 17.485 -10.313 9.666 1.00 81.46 1SG 367 ATOM 367 N LEU 46 19.313 -11.432 8.963 1.00 77.33 1SG 368 ATOM 368 CA LEU 46 18.635 -12.685 9.076 1.00 77.33 1SG 369 ATOM 369 CB LEU 46 18.973 -13.682 7.955 1.00 77.33 1SG 370 ATOM 370 CG LEU 46 18.235 -15.023 8.095 1.00 77.33 1SG 371 ATOM 371 CD2 LEU 46 18.767 -16.054 7.090 1.00 77.33 1SG 372 ATOM 372 CD1 LEU 46 16.711 -14.832 8.008 1.00 77.33 1SG 373 ATOM 373 C LEU 46 19.083 -13.282 10.364 1.00 77.33 1SG 374 ATOM 374 O LEU 46 20.242 -13.143 10.755 1.00 77.33 1SG 375 ATOM 375 N ILE 47 18.163 -13.951 11.079 1.00103.74 1SG 376 ATOM 376 CA ILE 47 18.534 -14.494 12.352 1.00103.74 1SG 377 ATOM 377 CB ILE 47 17.746 -13.955 13.497 1.00103.74 1SG 378 ATOM 378 CG2 ILE 47 16.250 -14.193 13.224 1.00103.74 1SG 379 ATOM 379 CG1 ILE 47 18.248 -14.613 14.787 1.00103.74 1SG 380 ATOM 380 CD1 ILE 47 17.567 -14.087 16.038 1.00103.74 1SG 381 ATOM 381 C ILE 47 18.266 -15.953 12.377 1.00103.74 1SG 382 ATOM 382 O ILE 47 17.295 -16.437 11.792 1.00103.74 1SG 383 ATOM 383 N GLY 48 19.142 -16.696 13.075 1.00 90.78 1SG 384 ATOM 384 CA GLY 48 18.905 -18.094 13.222 1.00 90.78 1SG 385 ATOM 385 C GLY 48 18.709 -18.325 14.682 1.00 90.78 1SG 386 ATOM 386 O GLY 48 19.611 -18.780 15.383 1.00 90.78 1SG 387 ATOM 387 N GLN 49 17.499 -18.007 15.175 1.00 90.55 1SG 388 ATOM 388 CA GLN 49 17.199 -18.224 16.554 1.00 90.55 1SG 389 ATOM 389 CB GLN 49 17.281 -16.955 17.422 1.00 90.55 1SG 390 ATOM 390 CG GLN 49 16.983 -17.212 18.902 1.00 90.55 1SG 391 ATOM 391 CD GLN 49 17.123 -15.900 19.660 1.00 90.55 1SG 392 ATOM 392 OE1 GLN 49 16.237 -15.515 20.427 1.00 90.55 1SG 393 ATOM 393 NE2 GLN 49 18.269 -15.195 19.459 1.00 90.55 1SG 394 ATOM 394 C GLN 49 15.794 -18.716 16.590 1.00 90.55 1SG 395 ATOM 395 O GLN 49 14.975 -18.342 15.754 1.00 90.55 1SG 396 ATOM 396 N ALA 50 15.479 -19.588 17.563 1.00 25.42 1SG 397 ATOM 397 CA ALA 50 14.157 -20.132 17.586 1.00 25.42 1SG 398 ATOM 398 CB ALA 50 13.941 -21.137 18.728 1.00 25.42 1SG 399 ATOM 399 C ALA 50 13.196 -19.011 17.781 1.00 25.42 1SG 400 ATOM 400 O ALA 50 12.195 -18.916 17.072 1.00 25.42 1SG 401 ATOM 401 N ASP 51 13.473 -18.106 18.738 1.00 56.24 1SG 402 ATOM 402 CA ASP 51 12.514 -17.057 18.887 1.00 56.24 1SG 403 ATOM 403 CB ASP 51 11.520 -17.303 20.034 1.00 56.24 1SG 404 ATOM 404 CG ASP 51 10.297 -16.431 19.789 1.00 56.24 1SG 405 ATOM 405 OD1 ASP 51 10.355 -15.592 18.851 1.00 56.24 1SG 406 ATOM 406 OD2 ASP 51 9.285 -16.594 20.522 1.00 56.24 1SG 407 ATOM 407 C ASP 51 13.230 -15.777 19.163 1.00 56.24 1SG 408 ATOM 408 O ASP 51 13.544 -15.463 20.310 1.00 56.24 1SG 409 ATOM 409 N LEU 52 13.561 -15.033 18.095 1.00164.96 1SG 410 ATOM 410 CA LEU 52 14.126 -13.721 18.212 1.00164.96 1SG 411 ATOM 411 CB LEU 52 15.674 -13.697 18.289 1.00164.96 1SG 412 ATOM 412 CG LEU 52 16.304 -12.296 18.475 1.00164.96 1SG 413 ATOM 413 CD2 LEU 52 17.840 -12.354 18.393 1.00164.96 1SG 414 ATOM 414 CD1 LEU 52 15.840 -11.641 19.790 1.00164.96 1SG 415 ATOM 415 C LEU 52 13.683 -13.081 16.935 1.00164.96 1SG 416 ATOM 416 O LEU 52 13.969 -13.594 15.854 1.00164.96 1SG 417 ATOM 417 N VAL 53 12.968 -11.947 17.018 1.00 52.76 1SG 418 ATOM 418 CA VAL 53 12.402 -11.341 15.845 1.00 52.76 1SG 419 ATOM 419 CB VAL 53 10.972 -10.928 16.079 1.00 52.76 1SG 420 ATOM 420 CG1 VAL 53 10.376 -10.280 14.817 1.00 52.76 1SG 421 ATOM 421 CG2 VAL 53 10.207 -12.175 16.560 1.00 52.76 1SG 422 ATOM 422 C VAL 53 13.234 -10.136 15.543 1.00 52.76 1SG 423 ATOM 423 O VAL 53 14.163 -9.835 16.288 1.00 52.76 1SG 424 ATOM 424 N GLY 54 13.001 -9.452 14.407 1.00 28.20 1SG 425 ATOM 425 CA GLY 54 13.724 -8.243 14.157 1.00 28.20 1SG 426 ATOM 426 C GLY 54 12.787 -7.308 13.464 1.00 28.20 1SG 427 ATOM 427 O GLY 54 11.958 -7.744 12.665 1.00 28.20 1SG 428 ATOM 428 N VAL 55 12.878 -5.991 13.750 1.00 42.15 1SG 429 ATOM 429 CA VAL 55 11.974 -5.099 13.081 1.00 42.15 1SG 430 ATOM 430 CB VAL 55 10.795 -4.694 13.917 1.00 42.15 1SG 431 ATOM 431 CG1 VAL 55 9.949 -3.692 13.110 1.00 42.15 1SG 432 ATOM 432 CG2 VAL 55 10.025 -5.965 14.312 1.00 42.15 1SG 433 ATOM 433 C VAL 55 12.701 -3.859 12.637 1.00 42.15 1SG 434 ATOM 434 O VAL 55 13.660 -3.416 13.269 1.00 42.15 1SG 435 ATOM 435 N GLU 56 12.262 -3.302 11.488 1.00 72.66 1SG 436 ATOM 436 CA GLU 56 12.849 -2.133 10.885 1.00 72.66 1SG 437 ATOM 437 CB GLU 56 12.257 -1.861 9.489 1.00 72.66 1SG 438 ATOM 438 CG GLU 56 12.904 -0.694 8.744 1.00 72.66 1SG 439 ATOM 439 CD GLU 56 12.315 -0.662 7.340 1.00 72.66 1SG 440 ATOM 440 OE1 GLU 56 11.403 -1.487 7.063 1.00 72.66 1SG 441 ATOM 441 OE2 GLU 56 12.774 0.182 6.524 1.00 72.66 1SG 442 ATOM 442 C GLU 56 12.618 -0.913 11.732 1.00 72.66 1SG 443 ATOM 443 O GLU 56 13.546 -0.162 12.027 1.00 72.66 1SG 444 ATOM 444 N GLY 57 11.364 -0.693 12.175 1.00 24.61 1SG 445 ATOM 445 CA GLY 57 11.052 0.474 12.951 1.00 24.61 1SG 446 ATOM 446 C GLY 57 9.937 0.073 13.849 1.00 24.61 1SG 447 ATOM 447 O GLY 57 9.486 -1.063 13.768 1.00 24.61 1SG 448 ATOM 448 N PRO 58 9.497 0.952 14.710 1.00 76.88 1SG 449 ATOM 449 CA PRO 58 8.432 0.662 15.638 1.00 76.88 1SG 450 ATOM 450 CD PRO 58 10.341 2.036 15.178 1.00 76.88 1SG 451 ATOM 451 CB PRO 58 8.551 1.690 16.756 1.00 76.88 1SG 452 ATOM 452 CG PRO 58 9.453 2.788 16.178 1.00 76.88 1SG 453 ATOM 453 C PRO 58 7.076 0.746 15.033 1.00 76.88 1SG 454 ATOM 454 O PRO 58 6.923 1.425 14.025 1.00 76.88 1SG 455 ATOM 455 N PHE 59 6.088 0.045 15.633 1.00182.52 1SG 456 ATOM 456 CA PHE 59 4.724 0.243 15.262 1.00182.52 1SG 457 ATOM 457 CB PHE 59 3.957 -1.012 14.784 1.00182.52 1SG 458 ATOM 458 CG PHE 59 2.474 -0.817 14.695 1.00182.52 1SG 459 ATOM 459 CD1 PHE 59 1.899 0.103 13.848 1.00182.52 1SG 460 ATOM 460 CD2 PHE 59 1.644 -1.582 15.480 1.00182.52 1SG 461 ATOM 461 CE1 PHE 59 0.539 0.266 13.776 1.00182.52 1SG 462 ATOM 462 CE2 PHE 59 0.280 -1.430 15.417 1.00182.52 1SG 463 ATOM 463 CZ PHE 59 -0.275 -0.506 14.564 1.00182.52 1SG 464 ATOM 464 C PHE 59 4.128 0.920 16.448 1.00182.52 1SG 465 ATOM 465 O PHE 59 2.926 0.936 16.710 1.00182.52 1SG 466 ATOM 466 N SER 60 5.046 1.551 17.211 1.00118.94 1SG 467 ATOM 467 CA SER 60 4.679 2.537 18.173 1.00118.94 1SG 468 ATOM 468 CB SER 60 5.922 3.054 18.927 1.00118.94 1SG 469 ATOM 469 OG SER 60 5.572 3.735 20.121 1.00118.94 1SG 470 ATOM 470 C SER 60 4.261 3.550 17.167 1.00118.94 1SG 471 ATOM 471 O SER 60 3.294 4.298 17.304 1.00118.94 1SG 472 ATOM 472 N VAL 61 5.040 3.491 16.064 1.00229.45 1SG 473 ATOM 473 CA VAL 61 4.821 4.134 14.824 1.00229.45 1SG 474 ATOM 474 CB VAL 61 5.986 4.958 14.330 1.00229.45 1SG 475 ATOM 475 CG1 VAL 61 6.176 6.103 15.334 1.00229.45 1SG 476 ATOM 476 CG2 VAL 61 7.250 4.115 14.168 1.00229.45 1SG 477 ATOM 477 C VAL 61 4.429 3.018 13.879 1.00229.45 1SG 478 ATOM 478 O VAL 61 3.429 2.353 14.135 1.00229.45 1SG 479 ATOM 479 N GLU 62 5.102 2.826 12.725 1.00139.19 1SG 480 ATOM 480 CA GLU 62 4.631 1.831 11.781 1.00139.19 1SG 481 ATOM 481 CB GLU 62 5.158 2.115 10.361 1.00139.19 1SG 482 ATOM 482 CG GLU 62 4.745 3.492 9.833 1.00139.19 1SG 483 ATOM 483 CD GLU 62 5.648 4.522 10.500 1.00139.19 1SG 484 ATOM 484 OE1 GLU 62 6.884 4.463 10.263 1.00139.19 1SG 485 ATOM 485 OE2 GLU 62 5.116 5.372 11.264 1.00139.19 1SG 486 ATOM 486 C GLU 62 4.874 0.344 12.030 1.00139.19 1SG 487 ATOM 487 O GLU 62 3.929 -0.435 12.113 1.00139.19 1SG 488 ATOM 488 N GLU 63 6.143 -0.123 12.086 1.00 97.12 1SG 489 ATOM 489 CA GLU 63 6.384 -1.554 12.067 1.00 97.12 1SG 490 ATOM 490 CB GLU 63 7.699 -1.899 11.358 1.00 97.12 1SG 491 ATOM 491 CG GLU 63 7.838 -3.388 11.030 1.00 97.12 1SG 492 ATOM 492 CD GLU 63 9.049 -3.505 10.125 1.00 97.12 1SG 493 ATOM 493 OE1 GLU 63 9.528 -2.420 9.702 1.00 97.12 1SG 494 ATOM 494 OE2 GLU 63 9.518 -4.641 9.842 1.00 97.12 1SG 495 ATOM 495 C GLU 63 6.351 -2.402 13.322 1.00 97.12 1SG 496 ATOM 496 O GLU 63 5.601 -3.374 13.392 1.00 97.12 1SG 497 ATOM 497 N LEU 64 7.155 -2.036 14.342 1.00168.06 1SG 498 ATOM 498 CA LEU 64 7.549 -2.874 15.457 1.00168.06 1SG 499 ATOM 499 CB LEU 64 8.717 -2.288 16.273 1.00168.06 1SG 500 ATOM 500 CG LEU 64 9.219 -3.203 17.412 1.00168.06 1SG 501 ATOM 501 CD2 LEU 64 10.417 -2.567 18.139 1.00168.06 1SG 502 ATOM 502 CD1 LEU 64 9.563 -4.616 16.899 1.00168.06 1SG 503 ATOM 503 C LEU 64 6.439 -3.272 16.374 1.00168.06 1SG 504 ATOM 504 O LEU 64 6.434 -4.398 16.862 1.00168.06 1SG 505 ATOM 505 N LEU 65 5.493 -2.370 16.670 1.00 68.43 1SG 506 ATOM 506 CA LEU 65 4.354 -2.698 17.482 1.00 68.43 1SG 507 ATOM 507 CB LEU 65 3.411 -1.540 17.849 1.00 68.43 1SG 508 ATOM 508 CG LEU 65 2.084 -2.011 18.478 1.00 68.43 1SG 509 ATOM 509 CD2 LEU 65 1.072 -0.868 18.589 1.00 68.43 1SG 510 ATOM 510 CD1 LEU 65 2.295 -2.721 19.817 1.00 68.43 1SG 511 ATOM 511 C LEU 65 3.520 -3.698 16.762 1.00 68.43 1SG 512 ATOM 512 O LEU 65 2.790 -4.449 17.396 1.00 68.43 1SG 513 ATOM 513 N ALA 66 3.541 -3.710 15.419 1.00 24.02 1SG 514 ATOM 514 CA ALA 66 2.729 -4.669 14.736 1.00 24.02 1SG 515 ATOM 515 CB ALA 66 2.876 -4.599 13.210 1.00 24.02 1SG 516 ATOM 516 C ALA 66 3.209 -6.019 15.163 1.00 24.02 1SG 517 ATOM 517 O ALA 66 2.415 -6.911 15.455 1.00 24.02 1SG 518 ATOM 518 N HIS 67 4.542 -6.196 15.219 1.00112.47 1SG 519 ATOM 519 CA HIS 67 5.098 -7.444 15.658 1.00112.47 1SG 520 ATOM 520 ND1 HIS 67 7.197 -9.899 14.923 1.00112.47 1SG 521 ATOM 521 CG HIS 67 7.084 -8.917 15.881 1.00112.47 1SG 522 ATOM 522 CB HIS 67 6.632 -7.519 15.589 1.00112.47 1SG 523 ATOM 523 NE2 HIS 67 7.678 -10.855 16.871 1.00112.47 1SG 524 ATOM 524 CD2 HIS 67 7.384 -9.518 17.065 1.00112.47 1SG 525 ATOM 525 CE1 HIS 67 7.555 -11.037 15.569 1.00112.47 1SG 526 ATOM 526 C HIS 67 4.746 -7.622 17.101 1.00112.47 1SG 527 ATOM 527 O HIS 67 4.467 -8.730 17.552 1.00112.47 1SG 528 ATOM 528 N GLN 68 4.756 -6.504 17.851 1.00117.22 1SG 529 ATOM 529 CA GLN 68 4.501 -6.434 19.262 1.00117.22 1SG 530 ATOM 530 CB GLN 68 4.615 -5.013 19.834 1.00117.22 1SG 531 ATOM 531 CG GLN 68 4.145 -4.926 21.288 1.00117.22 1SG 532 ATOM 532 CD GLN 68 4.333 -3.507 21.776 1.00117.22 1SG 533 ATOM 533 OE1 GLN 68 3.583 -3.024 22.625 1.00117.22 1SG 534 ATOM 534 NE2 GLN 68 5.351 -2.808 21.219 1.00117.22 1SG 535 ATOM 535 C GLN 68 3.107 -6.875 19.534 1.00117.22 1SG 536 ATOM 536 O GLN 68 2.797 -7.301 20.639 1.00117.22 1SG 537 ATOM 537 N GLU 69 2.200 -6.676 18.569 1.00 79.86 1SG 538 ATOM 538 CA GLU 69 0.853 -7.106 18.736 1.00 79.86 1SG 539 ATOM 539 CB GLU 69 -0.019 -6.768 17.508 1.00 79.86 1SG 540 ATOM 540 CG GLU 69 -1.508 -7.119 17.638 1.00 79.86 1SG 541 ATOM 541 CD GLU 69 -2.174 -6.729 16.321 1.00 79.86 1SG 542 ATOM 542 OE1 GLU 69 -1.437 -6.223 15.435 1.00 79.86 1SG 543 ATOM 543 OE2 GLU 69 -3.409 -6.936 16.172 1.00 79.86 1SG 544 ATOM 544 C GLU 69 0.944 -8.585 18.835 1.00 79.86 1SG 545 ATOM 545 O GLU 69 0.368 -9.200 19.729 1.00 79.86 1SG 546 ATOM 546 N LYS 70 1.733 -9.178 17.920 1.00 80.39 1SG 547 ATOM 547 CA LYS 70 1.947 -10.593 17.866 1.00 80.39 1SG 548 ATOM 548 CB LYS 70 2.817 -10.976 16.653 1.00 80.39 1SG 549 ATOM 549 CG LYS 70 2.749 -12.455 16.282 1.00 80.39 1SG 550 ATOM 550 CD LYS 70 3.224 -12.734 14.854 1.00 80.39 1SG 551 ATOM 551 CE LYS 70 2.993 -14.179 14.411 1.00 80.39 1SG 552 ATOM 552 NZ LYS 70 3.350 -14.340 12.984 1.00 80.39 1SG 553 ATOM 553 C LYS 70 2.650 -11.019 19.125 1.00 80.39 1SG 554 ATOM 554 O LYS 70 2.271 -12.000 19.765 1.00 80.39 1SG 555 ATOM 555 N HIS 71 3.687 -10.257 19.528 1.00196.57 1SG 556 ATOM 556 CA HIS 71 4.444 -10.569 20.708 1.00196.57 1SG 557 ATOM 557 ND1 HIS 71 7.145 -12.734 19.039 1.00196.57 1SG 558 ATOM 558 CG HIS 71 6.000 -12.179 19.563 1.00196.57 1SG 559 ATOM 559 CB HIS 71 5.919 -10.933 20.417 1.00196.57 1SG 560 ATOM 560 NE2 HIS 71 5.465 -14.026 18.378 1.00196.57 1SG 561 ATOM 561 CD2 HIS 71 4.983 -12.980 19.147 1.00196.57 1SG 562 ATOM 562 CE1 HIS 71 6.768 -13.836 18.340 1.00196.57 1SG 563 ATOM 563 C HIS 71 4.329 -9.373 21.605 1.00196.57 1SG 564 ATOM 564 O HIS 71 3.272 -9.199 22.208 1.00196.57 1SG 565 ATOM 565 N LEU 72 5.402 -8.562 21.798 1.00374.61 1SG 566 ATOM 566 CA LEU 72 5.197 -7.359 22.571 1.00374.61 1SG 567 ATOM 567 CB LEU 72 4.644 -7.645 23.976 1.00374.61 1SG 568 ATOM 568 CG LEU 72 3.717 -6.504 24.407 1.00374.61 1SG 569 ATOM 569 CD2 LEU 72 3.236 -6.607 25.864 1.00374.61 1SG 570 ATOM 570 CD1 LEU 72 2.540 -6.452 23.415 1.00374.61 1SG 571 ATOM 571 C LEU 72 6.544 -6.680 22.739 1.00374.61 1SG 572 ATOM 572 O LEU 72 7.566 -7.360 22.681 1.00374.61 1SG 573 ATOM 573 N ALA 73 6.621 -5.327 22.879 1.00155.39 1SG 574 ATOM 574 CA ALA 73 7.918 -4.729 23.182 1.00155.39 1SG 575 ATOM 575 CB ALA 73 8.787 -4.491 21.928 1.00155.39 1SG 576 ATOM 576 C ALA 73 7.766 -3.384 23.875 1.00155.39 1SG 577 ATOM 577 O ALA 73 7.115 -2.491 23.337 1.00155.39 1SG 578 ATOM 578 N GLU 74 8.334 -3.222 25.114 1.00170.15 1SG 579 ATOM 579 CA GLU 74 8.369 -2.004 25.919 1.00170.15 1SG 580 ATOM 580 CB GLU 74 8.137 -2.293 27.410 1.00170.15 1SG 581 ATOM 581 CG GLU 74 6.659 -2.534 27.727 1.00170.15 1SG 582 ATOM 582 CD GLU 74 6.202 -3.720 26.892 1.00170.15 1SG 583 ATOM 583 OE1 GLU 74 6.474 -4.876 27.309 1.00170.15 1SG 584 ATOM 584 OE2 GLU 74 5.590 -3.484 25.814 1.00170.15 1SG 585 ATOM 585 C GLU 74 9.509 -0.967 25.829 1.00170.15 1SG 586 ATOM 586 O GLU 74 9.212 0.215 25.650 1.00170.15 1SG 587 ATOM 587 N GLU 75 10.824 -1.338 25.909 1.00300.18 1SG 588 ATOM 588 CA GLU 75 11.928 -0.398 26.088 1.00300.18 1SG 589 ATOM 589 CB GLU 75 13.305 -1.090 26.081 1.00300.18 1SG 590 ATOM 590 CG GLU 75 14.359 -0.385 26.944 1.00300.18 1SG 591 ATOM 591 CD GLU 75 14.764 0.876 26.214 1.00300.18 1SG 592 ATOM 592 OE1 GLU 75 15.328 0.750 25.092 1.00300.18 1SG 593 ATOM 593 OE2 GLU 75 14.506 1.982 26.751 1.00300.18 1SG 594 ATOM 594 C GLU 75 11.841 0.641 25.025 1.00300.18 1SG 595 ATOM 595 O GLU 75 11.415 0.399 23.900 1.00300.18 1SG 596 ATOM 596 N ALA 76 12.254 1.855 25.395 1.00117.12 1SG 597 ATOM 597 CA ALA 76 12.040 2.951 24.530 1.00117.12 1SG 598 ATOM 598 CB ALA 76 12.598 4.269 25.089 1.00117.12 1SG 599 ATOM 599 C ALA 76 12.714 2.716 23.237 1.00117.12 1SG 600 ATOM 600 O ALA 76 12.094 2.964 22.207 1.00117.12 1SG 601 ATOM 601 N PHE 77 13.913 2.101 23.221 1.00336.57 1SG 602 ATOM 602 CA PHE 77 14.736 2.350 22.072 1.00336.57 1SG 603 ATOM 603 CB PHE 77 14.158 2.062 20.663 1.00336.57 1SG 604 ATOM 604 CG PHE 77 14.072 0.593 20.393 1.00336.57 1SG 605 ATOM 605 CD1 PHE 77 15.203 -0.116 20.069 1.00336.57 1SG 606 ATOM 606 CD2 PHE 77 12.873 -0.079 20.469 1.00336.57 1SG 607 ATOM 607 CE1 PHE 77 15.129 -1.461 19.819 1.00336.57 1SG 608 ATOM 608 CE2 PHE 77 12.799 -1.427 20.215 1.00336.57 1SG 609 ATOM 609 CZ PHE 77 13.934 -2.121 19.890 1.00336.57 1SG 610 ATOM 610 C PHE 77 14.695 3.807 22.267 1.00336.57 1SG 611 ATOM 611 O PHE 77 13.958 4.529 21.595 1.00336.57 1SG 612 ATOM 612 N LEU 78 15.568 4.260 23.165 1.00120.02 1SG 613 ATOM 613 CA LEU 78 15.366 5.482 23.864 1.00120.02 1SG 614 ATOM 614 CB LEU 78 16.553 5.721 24.824 1.00120.02 1SG 615 ATOM 615 CG LEU 78 16.519 4.617 25.923 1.00120.02 1SG 616 ATOM 616 CD2 LEU 78 15.165 4.638 26.654 1.00120.02 1SG 617 ATOM 617 CD1 LEU 78 17.695 4.652 26.916 1.00120.02 1SG 618 ATOM 618 C LEU 78 15.057 6.620 22.952 1.00120.02 1SG 619 ATOM 619 O LEU 78 14.065 7.312 23.172 1.00120.02 1SG 620 ATOM 620 N ARG 79 15.816 6.835 21.871 1.00113.44 1SG 621 ATOM 621 CA ARG 79 15.419 7.937 21.044 1.00113.44 1SG 622 ATOM 622 CB ARG 79 16.435 8.267 19.941 1.00113.44 1SG 623 ATOM 623 CG ARG 79 16.134 9.600 19.260 1.00113.44 1SG 624 ATOM 624 CD ARG 79 17.188 10.015 18.237 1.00113.44 1SG 625 ATOM 625 NE ARG 79 16.830 11.390 17.800 1.00113.44 1SG 626 ATOM 626 CZ ARG 79 17.811 12.297 17.530 1.00113.44 1SG 627 ATOM 627 NH1 ARG 79 19.123 11.932 17.614 1.00113.44 1SG 628 ATOM 628 NH2 ARG 79 17.473 13.572 17.182 1.00113.44 1SG 629 ATOM 629 C ARG 79 14.104 7.657 20.362 1.00113.44 1SG 630 ATOM 630 O ARG 79 13.218 8.508 20.320 1.00113.44 1SG 631 ATOM 631 N ALA 80 13.947 6.433 19.822 1.00 59.83 1SG 632 ATOM 632 CA ALA 80 12.819 6.035 19.019 1.00 59.83 1SG 633 ATOM 633 CB ALA 80 12.945 4.597 18.506 1.00 59.83 1SG 634 ATOM 634 C ALA 80 11.503 6.084 19.742 1.00 59.83 1SG 635 ATOM 635 O ALA 80 10.535 6.597 19.184 1.00 59.83 1SG 636 ATOM 636 N TYR 81 11.388 5.552 20.981 1.00215.69 1SG 637 ATOM 637 CA TYR 81 10.094 5.592 21.621 1.00215.69 1SG 638 ATOM 638 CB TYR 81 9.691 4.267 22.303 1.00215.69 1SG 639 ATOM 639 CG TYR 81 9.286 3.165 21.372 1.00215.69 1SG 640 ATOM 640 CD1 TYR 81 10.094 2.659 20.372 1.00215.69 1SG 641 ATOM 641 CD2 TYR 81 8.061 2.575 21.588 1.00215.69 1SG 642 ATOM 642 CE1 TYR 81 9.651 1.626 19.578 1.00215.69 1SG 643 ATOM 643 CE2 TYR 81 7.619 1.546 20.798 1.00215.69 1SG 644 ATOM 644 CZ TYR 81 8.409 1.069 19.787 1.00215.69 1SG 645 ATOM 645 OH TYR 81 7.934 0.007 18.987 1.00215.69 1SG 646 ATOM 646 C TYR 81 10.155 6.555 22.761 1.00215.69 1SG 647 ATOM 647 O TYR 81 9.825 6.189 23.887 1.00215.69 1SG 648 ATOM 648 N ALA 82 10.561 7.815 22.519 1.00 60.20 1SG 649 ATOM 649 CA ALA 82 10.621 8.696 23.646 1.00 60.20 1SG 650 ATOM 650 CB ALA 82 11.289 10.040 23.308 1.00 60.20 1SG 651 ATOM 651 C ALA 82 9.238 9.008 24.144 1.00 60.20 1SG 652 ATOM 652 O ALA 82 8.901 8.884 25.317 1.00 60.20 1SG 653 ATOM 653 N LYS 83 8.372 9.431 23.223 1.00169.91 1SG 654 ATOM 654 CA LYS 83 7.051 9.854 23.568 1.00169.91 1SG 655 ATOM 655 CB LYS 83 6.367 10.628 22.435 1.00169.91 1SG 656 ATOM 656 CG LYS 83 6.548 10.015 21.043 1.00169.91 1SG 657 ATOM 657 CD LYS 83 7.963 10.151 20.482 1.00169.91 1SG 658 ATOM 658 CE LYS 83 8.789 8.869 20.502 1.00169.91 1SG 659 ATOM 659 NZ LYS 83 10.127 9.171 19.957 1.00169.91 1SG 660 ATOM 660 C LYS 83 6.136 8.739 23.973 1.00169.91 1SG 661 ATOM 661 O LYS 83 5.351 8.900 24.906 1.00169.91 1SG 662 ATOM 662 N ASP 84 6.220 7.577 23.296 1.00237.69 1SG 663 ATOM 663 CA ASP 84 5.205 6.578 23.482 1.00237.69 1SG 664 ATOM 664 CB ASP 84 5.079 5.632 22.278 1.00237.69 1SG 665 ATOM 665 CG ASP 84 4.530 6.495 21.150 1.00237.69 1SG 666 ATOM 666 OD1 ASP 84 4.151 7.652 21.465 1.00237.69 1SG 667 ATOM 667 OD2 ASP 84 4.473 6.041 19.976 1.00237.69 1SG 668 ATOM 668 C ASP 84 5.368 5.784 24.742 1.00237.69 1SG 669 ATOM 669 O ASP 84 6.472 5.441 25.160 1.00237.69 1SG 670 ATOM 670 N GLU 85 4.203 5.519 25.379 1.00233.96 1SG 671 ATOM 671 CA GLU 85 4.000 4.759 26.584 1.00233.96 1SG 672 ATOM 672 CB GLU 85 4.108 3.228 26.417 1.00233.96 1SG 673 ATOM 673 CG GLU 85 2.913 2.638 25.657 1.00233.96 1SG 674 ATOM 674 CD GLU 85 2.961 1.114 25.704 1.00233.96 1SG 675 ATOM 675 OE1 GLU 85 3.941 0.555 26.269 1.00233.96 1SG 676 ATOM 676 OE2 GLU 85 2.004 0.487 25.176 1.00233.96 1SG 677 ATOM 677 C GLU 85 4.866 5.224 27.707 1.00233.96 1SG 678 ATOM 678 O GLU 85 5.829 5.976 27.548 1.00233.96 1SG 679 ATOM 679 N PRO 86 4.448 4.797 28.874 1.00159.46 1SG 680 ATOM 680 CA PRO 86 5.132 5.127 30.094 1.00159.46 1SG 681 ATOM 681 CD PRO 86 3.023 4.605 29.102 1.00159.46 1SG 682 ATOM 682 CB PRO 86 4.160 4.818 31.234 1.00159.46 1SG 683 ATOM 683 CG PRO 86 2.777 4.959 30.580 1.00159.46 1SG 684 ATOM 684 C PRO 86 6.413 4.376 30.196 1.00159.46 1SG 685 ATOM 685 O PRO 86 6.555 3.340 29.551 1.00159.46 1SG 686 ATOM 686 N LEU 87 7.357 4.895 31.002 1.00 83.18 1SG 687 ATOM 687 CA LEU 87 8.636 4.271 31.139 1.00 83.18 1SG 688 ATOM 688 CB LEU 87 9.812 5.256 31.040 1.00 83.18 1SG 689 ATOM 689 CG LEU 87 10.013 5.904 29.660 1.00 83.18 1SG 690 ATOM 690 CD2 LEU 87 11.341 6.674 29.647 1.00 83.18 1SG 691 ATOM 691 CD1 LEU 87 8.810 6.764 29.232 1.00 83.18 1SG 692 ATOM 692 C LEU 87 8.738 3.666 32.499 1.00 83.18 1SG 693 ATOM 693 O LEU 87 7.934 3.937 33.389 1.00 83.18 1SG 694 ATOM 694 N TYR 88 9.731 2.772 32.657 1.00141.40 1SG 695 ATOM 695 CA TYR 88 10.070 2.209 33.928 1.00141.40 1SG 696 ATOM 696 CB TYR 88 10.078 0.670 33.948 1.00141.40 1SG 697 ATOM 697 CG TYR 88 10.442 0.242 35.329 1.00141.40 1SG 698 ATOM 698 CD1 TYR 88 9.478 0.141 36.302 1.00141.40 1SG 699 ATOM 699 CD2 TYR 88 11.747 -0.056 35.653 1.00141.40 1SG 700 ATOM 700 CE1 TYR 88 9.803 -0.254 37.579 1.00141.40 1SG 701 ATOM 701 CE2 TYR 88 12.079 -0.451 36.929 1.00141.40 1SG 702 ATOM 702 CZ TYR 88 11.106 -0.550 37.895 1.00141.40 1SG 703 ATOM 703 OH TYR 88 11.443 -0.954 39.204 1.00141.40 1SG 704 ATOM 704 C TYR 88 11.475 2.666 34.115 1.00141.40 1SG 705 ATOM 705 O TYR 88 12.288 2.545 33.200 1.00141.40 1SG 706 ATOM 706 N ALA 89 11.819 3.226 35.289 1.00 34.49 1SG 707 ATOM 707 CA ALA 89 13.147 3.757 35.347 1.00 34.49 1SG 708 ATOM 708 CB ALA 89 13.188 5.294 35.288 1.00 34.49 1SG 709 ATOM 709 C ALA 89 13.850 3.340 36.597 1.00 34.49 1SG 710 ATOM 710 O ALA 89 13.238 3.024 37.616 1.00 34.49 1SG 711 ATOM 711 N TRP 90 15.194 3.318 36.505 1.00142.96 1SG 712 ATOM 712 CA TRP 90 16.079 3.003 37.587 1.00142.96 1SG 713 ATOM 713 CB TRP 90 17.128 1.947 37.192 1.00142.96 1SG 714 ATOM 714 CG TRP 90 18.161 1.625 38.243 1.00142.96 1SG 715 ATOM 715 CD2 TRP 90 18.130 0.497 39.121 1.00142.96 1SG 716 ATOM 716 CD1 TRP 90 19.327 2.290 38.519 1.00142.96 1SG 717 ATOM 717 NE1 TRP 90 20.008 1.646 39.519 1.00142.96 1SG 718 ATOM 718 CE2 TRP 90 19.284 0.532 39.901 1.00142.96 1SG 719 ATOM 719 CE3 TRP 90 17.204 -0.506 39.270 1.00142.96 1SG 720 ATOM 720 CZ2 TRP 90 19.540 -0.421 40.834 1.00142.96 1SG 721 ATOM 721 CZ3 TRP 90 17.466 -1.469 40.215 1.00142.96 1SG 722 ATOM 722 CH2 TRP 90 18.611 -1.428 40.982 1.00142.96 1SG 723 ATOM 723 C TRP 90 16.828 4.264 37.873 1.00142.96 1SG 724 ATOM 724 O TRP 90 17.326 4.918 36.958 1.00142.96 1SG 725 ATOM 725 N VAL 91 16.920 4.661 39.156 1.00 29.07 1SG 726 ATOM 726 CA VAL 91 17.646 5.868 39.421 1.00 29.07 1SG 727 ATOM 727 CB VAL 91 16.894 6.849 40.277 1.00 29.07 1SG 728 ATOM 728 CG1 VAL 91 17.822 8.034 40.599 1.00 29.07 1SG 729 ATOM 729 CG2 VAL 91 15.603 7.253 39.544 1.00 29.07 1SG 730 ATOM 730 C VAL 91 18.888 5.502 40.160 1.00 29.07 1SG 731 ATOM 731 O VAL 91 18.830 4.922 41.243 1.00 29.07 1SG 732 ATOM 732 N LEU 92 20.058 5.819 39.571 1.00 41.18 1SG 733 ATOM 733 CA LEU 92 21.290 5.561 40.252 1.00 41.18 1SG 734 ATOM 734 CB LEU 92 22.497 5.406 39.314 1.00 41.18 1SG 735 ATOM 735 CG LEU 92 23.815 5.133 40.061 1.00 41.18 1SG 736 ATOM 736 CD2 LEU 92 25.007 5.161 39.095 1.00 41.18 1SG 737 ATOM 737 CD1 LEU 92 23.745 3.828 40.874 1.00 41.18 1SG 738 ATOM 738 C LEU 92 21.533 6.737 41.148 1.00 41.18 1SG 739 ATOM 739 O LEU 92 21.177 7.866 40.811 1.00 41.18 1SG 740 ATOM 740 N GLU 93 22.128 6.495 42.331 1.00 72.00 1SG 741 ATOM 741 CA GLU 93 22.332 7.553 43.282 1.00 72.00 1SG 742 ATOM 742 CB GLU 93 22.876 7.064 44.638 1.00 72.00 1SG 743 ATOM 743 CG GLU 93 21.902 6.196 45.435 1.00 72.00 1SG 744 ATOM 744 CD GLU 93 21.897 4.813 44.806 1.00 72.00 1SG 745 ATOM 745 OE1 GLU 93 22.999 4.203 44.748 1.00 72.00 1SG 746 ATOM 746 OE2 GLU 93 20.811 4.354 44.366 1.00 72.00 1SG 747 ATOM 747 C GLU 93 23.325 8.563 42.793 1.00 72.00 1SG 748 ATOM 748 O GLU 93 23.074 9.765 42.875 1.00 72.00 1SG 749 ATOM 749 N ASN 94 24.476 8.109 42.257 1.00 80.07 1SG 750 ATOM 750 CA ASN 94 25.522 9.039 41.926 1.00 80.07 1SG 751 ATOM 751 CB ASN 94 26.934 8.499 42.228 1.00 80.07 1SG 752 ATOM 752 CG ASN 94 27.937 9.644 42.156 1.00 80.07 1SG 753 ATOM 753 OD1 ASN 94 29.116 9.431 41.880 1.00 80.07 1SG 754 ATOM 754 ND2 ASN 94 27.465 10.891 42.426 1.00 80.07 1SG 755 ATOM 755 C ASN 94 25.476 9.379 40.474 1.00 80.07 1SG 756 ATOM 756 O ASN 94 24.970 8.614 39.655 1.00 80.07 1SG 757 ATOM 757 N ALA 95 25.991 10.579 40.132 1.00 30.33 1SG 758 ATOM 758 CA ALA 95 26.064 10.998 38.765 1.00 30.33 1SG 759 ATOM 759 CB ALA 95 26.166 12.523 38.589 1.00 30.33 1SG 760 ATOM 760 C ALA 95 27.303 10.395 38.190 1.00 30.33 1SG 761 ATOM 761 O ALA 95 28.310 10.245 38.880 1.00 30.33 1SG 762 ATOM 762 N PHE 96 27.250 10.023 36.897 1.00 42.12 1SG 763 ATOM 763 CA PHE 96 28.386 9.435 36.250 1.00 42.12 1SG 764 ATOM 764 CB PHE 96 28.298 7.904 36.105 1.00 42.12 1SG 765 ATOM 765 CG PHE 96 28.499 7.280 37.446 1.00 42.12 1SG 766 ATOM 766 CD1 PHE 96 29.765 6.948 37.874 1.00 42.12 1SG 767 ATOM 767 CD2 PHE 96 27.432 7.029 38.279 1.00 42.12 1SG 768 ATOM 768 CE1 PHE 96 29.966 6.369 39.105 1.00 42.12 1SG 769 ATOM 769 CE2 PHE 96 27.627 6.451 39.512 1.00 42.12 1SG 770 ATOM 770 CZ PHE 96 28.894 6.122 39.929 1.00 42.12 1SG 771 ATOM 771 C PHE 96 28.449 9.994 34.867 1.00 42.12 1SG 772 ATOM 772 O PHE 96 27.549 10.710 34.433 1.00 42.12 1SG 773 ATOM 773 N ARG 97 29.549 9.696 34.148 1.00 68.10 1SG 774 ATOM 774 CA ARG 97 29.691 10.159 32.799 1.00 68.10 1SG 775 ATOM 775 CB ARG 97 31.133 10.608 32.487 1.00 68.10 1SG 776 ATOM 776 CG ARG 97 31.663 11.693 33.436 1.00 68.10 1SG 777 ATOM 777 CD ARG 97 33.156 12.003 33.265 1.00 68.10 1SG 778 ATOM 778 NE ARG 97 33.545 12.983 34.322 1.00 68.10 1SG 779 ATOM 779 CZ ARG 97 34.863 13.187 34.623 1.00 68.10 1SG 780 ATOM 780 NH1 ARG 97 35.833 12.507 33.945 1.00 68.10 1SG 781 ATOM 781 NH2 ARG 97 35.212 14.072 35.602 1.00 68.10 1SG 782 ATOM 782 C ARG 97 29.394 8.973 31.931 1.00 68.10 1SG 783 ATOM 783 O ARG 97 30.186 8.034 31.872 1.00 68.10 1SG 784 ATOM 784 N TYR 98 28.232 8.976 31.240 1.00147.78 1SG 785 ATOM 785 CA TYR 98 27.879 7.850 30.417 1.00147.78 1SG 786 ATOM 786 CB TYR 98 26.876 6.899 31.088 1.00147.78 1SG 787 ATOM 787 CG TYR 98 26.743 5.696 30.220 1.00147.78 1SG 788 ATOM 788 CD1 TYR 98 27.730 4.738 30.231 1.00147.78 1SG 789 ATOM 789 CD2 TYR 98 25.645 5.517 29.409 1.00147.78 1SG 790 ATOM 790 CE1 TYR 98 27.628 3.619 29.441 1.00147.78 1SG 791 ATOM 791 CE2 TYR 98 25.537 4.399 28.615 1.00147.78 1SG 792 ATOM 792 CZ TYR 98 26.531 3.449 28.632 1.00147.78 1SG 793 ATOM 793 OH TYR 98 26.429 2.299 27.821 1.00147.78 1SG 794 ATOM 794 C TYR 98 27.227 8.372 29.178 1.00147.78 1SG 795 ATOM 795 O TYR 98 26.810 9.528 29.132 1.00147.78 1SG 796 ATOM 796 N GLU 99 27.147 7.537 28.119 1.00188.06 1SG 797 ATOM 797 CA GLU 99 26.519 8.022 26.928 1.00188.06 1SG 798 ATOM 798 CB GLU 99 27.556 8.365 25.847 1.00188.06 1SG 799 ATOM 799 CG GLU 99 28.482 7.197 25.496 1.00188.06 1SG 800 ATOM 800 CD GLU 99 29.673 7.750 24.723 1.00188.06 1SG 801 ATOM 801 OE1 GLU 99 29.749 8.999 24.572 1.00188.06 1SG 802 ATOM 802 OE2 GLU 99 30.527 6.934 24.281 1.00188.06 1SG 803 ATOM 803 C GLU 99 25.551 7.024 26.362 1.00188.06 1SG 804 ATOM 804 O GLU 99 25.825 6.388 25.345 1.00188.06 1SG 805 ATOM 805 N LYS 100 24.385 6.866 27.024 1.00146.21 1SG 806 ATOM 806 CA LYS 100 23.269 6.139 26.482 1.00146.21 1SG 807 ATOM 807 CB LYS 100 23.352 4.610 26.546 1.00146.21 1SG 808 ATOM 808 CG LYS 100 22.232 3.991 25.713 1.00146.21 1SG 809 ATOM 809 CD LYS 100 22.527 2.573 25.241 1.00146.21 1SG 810 ATOM 810 CE LYS 100 21.570 2.109 24.145 1.00146.21 1SG 811 ATOM 811 NZ LYS 100 22.172 0.983 23.402 1.00146.21 1SG 812 ATOM 812 C LYS 100 22.105 6.585 27.281 1.00146.21 1SG 813 ATOM 813 O LYS 100 21.785 6.038 28.336 1.00146.21 1SG 814 ATOM 814 N PRO 101 21.503 7.620 26.770 1.00157.66 1SG 815 ATOM 815 CA PRO 101 20.435 8.214 27.511 1.00157.66 1SG 816 ATOM 816 CD PRO 101 22.286 8.624 26.060 1.00157.66 1SG 817 ATOM 817 CB PRO 101 20.368 9.674 27.061 1.00157.66 1SG 818 ATOM 818 CG PRO 101 21.782 9.984 26.558 1.00157.66 1SG 819 ATOM 819 C PRO 101 19.101 7.555 27.430 1.00157.66 1SG 820 ATOM 820 O PRO 101 18.676 7.139 26.353 1.00157.66 1SG 821 ATOM 821 N LEU 102 18.415 7.489 28.582 1.00150.73 1SG 822 ATOM 822 CA LEU 102 17.041 7.116 28.626 1.00150.73 1SG 823 ATOM 823 CB LEU 102 16.565 6.888 30.075 1.00150.73 1SG 824 ATOM 824 CG LEU 102 15.099 6.450 30.249 1.00150.73 1SG 825 ATOM 825 CD2 LEU 102 14.823 5.109 29.556 1.00150.73 1SG 826 ATOM 826 CD1 LEU 102 14.117 7.557 29.861 1.00150.73 1SG 827 ATOM 827 C LEU 102 16.449 8.386 28.112 1.00150.73 1SG 828 ATOM 828 O LEU 102 17.044 9.446 28.301 1.00150.73 1SG 829 ATOM 829 N HIS 103 15.298 8.358 27.427 1.00131.89 1SG 830 ATOM 830 CA HIS 103 14.884 9.623 26.883 1.00131.89 1SG 831 ATOM 831 ND1 HIS 103 11.487 8.744 26.634 1.00131.89 1SG 832 ATOM 832 CG HIS 103 12.747 8.476 26.156 1.00131.89 1SG 833 ATOM 833 CB HIS 103 13.779 9.507 25.819 1.00131.89 1SG 834 ATOM 834 NE2 HIS 103 11.654 6.535 26.475 1.00131.89 1SG 835 ATOM 835 CD2 HIS 103 12.836 7.125 26.065 1.00131.89 1SG 836 ATOM 836 CE1 HIS 103 10.874 7.549 26.802 1.00131.89 1SG 837 ATOM 837 C HIS 103 14.461 10.568 27.963 1.00131.89 1SG 838 ATOM 838 O HIS 103 13.989 10.162 29.023 1.00131.89 1SG 839 ATOM 839 N VAL 104 14.670 11.881 27.715 1.00 36.37 1SG 840 ATOM 840 CA VAL 104 14.341 12.903 28.670 1.00 36.37 1SG 841 ATOM 841 CB VAL 104 15.011 14.218 28.387 1.00 36.37 1SG 842 ATOM 842 CG1 VAL 104 14.527 15.248 29.422 1.00 36.37 1SG 843 ATOM 843 CG2 VAL 104 16.536 14.005 28.378 1.00 36.37 1SG 844 ATOM 844 C VAL 104 12.869 13.135 28.602 1.00 36.37 1SG 845 ATOM 845 O VAL 104 12.290 13.308 27.530 1.00 36.37 1SG 846 ATOM 846 N PRO 105 12.260 13.103 29.753 1.00 89.45 1SG 847 ATOM 847 CA PRO 105 10.837 13.298 29.824 1.00 89.45 1SG 848 ATOM 848 CD PRO 105 12.726 12.182 30.776 1.00 89.45 1SG 849 ATOM 849 CB PRO 105 10.344 12.461 31.006 1.00 89.45 1SG 850 ATOM 850 CG PRO 105 11.609 12.168 31.827 1.00 89.45 1SG 851 ATOM 851 C PRO 105 10.435 14.732 29.936 1.00 89.45 1SG 852 ATOM 852 O PRO 105 11.266 15.570 30.292 1.00 89.45 1SG 853 ATOM 853 N ARG 106 9.159 15.032 29.627 1.00 93.03 1SG 854 ATOM 854 CA ARG 106 8.623 16.345 29.825 1.00 93.03 1SG 855 ATOM 855 CB ARG 106 7.496 16.703 28.838 1.00 93.03 1SG 856 ATOM 856 CG ARG 106 6.911 18.106 29.031 1.00 93.03 1SG 857 ATOM 857 CD ARG 106 5.774 18.423 28.055 1.00 93.03 1SG 858 ATOM 858 NE ARG 106 5.295 19.805 28.344 1.00 93.03 1SG 859 ATOM 859 CZ ARG 106 4.272 20.334 27.612 1.00 93.03 1SG 860 ATOM 860 NH1 ARG 106 3.688 19.593 26.624 1.00 93.03 1SG 861 ATOM 861 NH2 ARG 106 3.825 21.598 27.868 1.00 93.03 1SG 862 ATOM 862 C ARG 106 8.031 16.299 31.195 1.00 93.03 1SG 863 ATOM 863 O ARG 106 7.418 15.300 31.570 1.00 93.03 1SG 864 ATOM 864 N ARG 107 8.217 17.360 31.998 1.00 96.25 1SG 865 ATOM 865 CA ARG 107 7.714 17.288 33.338 1.00 96.25 1SG 866 ATOM 866 CB ARG 107 8.123 18.482 34.219 1.00 96.25 1SG 867 ATOM 867 CG ARG 107 7.581 18.384 35.646 1.00 96.25 1SG 868 ATOM 868 CD ARG 107 7.973 19.557 36.544 1.00 96.25 1SG 869 ATOM 869 NE ARG 107 7.367 19.312 37.882 1.00 96.25 1SG 870 ATOM 870 CZ ARG 107 7.830 19.988 38.975 1.00 96.25 1SG 871 ATOM 871 NH1 ARG 107 8.848 20.885 38.841 1.00 96.25 1SG 872 ATOM 872 NH2 ARG 107 7.271 19.764 40.200 1.00 96.25 1SG 873 ATOM 873 C ARG 107 6.220 17.201 33.333 1.00 96.25 1SG 874 ATOM 874 O ARG 107 5.650 16.369 34.036 1.00 96.25 1SG 875 ATOM 875 N PRO 108 5.548 18.026 32.576 1.00 90.61 1SG 876 ATOM 876 CA PRO 108 4.111 17.996 32.559 1.00 90.61 1SG 877 ATOM 877 CD PRO 108 6.068 19.319 32.169 1.00 90.61 1SG 878 ATOM 878 CB PRO 108 3.663 19.320 31.932 1.00 90.61 1SG 879 ATOM 879 CG PRO 108 4.940 19.921 31.318 1.00 90.61 1SG 880 ATOM 880 C PRO 108 3.542 16.790 31.886 1.00 90.61 1SG 881 ATOM 881 O PRO 108 2.426 16.395 32.219 1.00 90.61 1SG 882 ATOM 882 N GLY 109 4.278 16.206 30.927 1.00 89.84 1SG 883 ATOM 883 CA GLY 109 3.781 15.100 30.165 1.00 89.84 1SG 884 ATOM 884 C GLY 109 3.588 13.891 31.020 1.00 89.84 1SG 885 ATOM 885 O GLY 109 2.600 13.174 30.867 1.00 89.84 1SG 886 ATOM 886 N ARG 110 4.523 13.624 31.952 1.00 87.37 1SG 887 ATOM 887 CA ARG 110 4.432 12.387 32.669 1.00 87.37 1SG 888 ATOM 888 CB ARG 110 5.743 11.591 32.640 1.00 87.37 1SG 889 ATOM 889 CG ARG 110 6.187 11.213 31.234 1.00 87.37 1SG 890 ATOM 890 CD ARG 110 7.485 10.422 31.233 1.00 87.37 1SG 891 ATOM 891 NE ARG 110 7.783 10.137 29.813 1.00 87.37 1SG 892 ATOM 892 CZ ARG 110 9.037 9.780 29.429 1.00 87.37 1SG 893 ATOM 893 NH1 ARG 110 10.037 9.597 30.348 1.00 87.37 1SG 894 ATOM 894 NH2 ARG 110 9.261 9.651 28.094 1.00 87.37 1SG 895 ATOM 895 C ARG 110 4.120 12.639 34.105 1.00 87.37 1SG 896 ATOM 896 O ARG 110 4.377 13.712 34.645 1.00 87.37 1SG 897 ATOM 897 N VAL 111 3.518 11.619 34.745 1.00 26.11 1SG 898 ATOM 898 CA VAL 111 3.203 11.664 36.141 1.00 26.11 1SG 899 ATOM 899 CB VAL 111 1.750 11.430 36.435 1.00 26.11 1SG 900 ATOM 900 CG1 VAL 111 1.563 11.375 37.961 1.00 26.11 1SG 901 ATOM 901 CG2 VAL 111 0.926 12.529 35.744 1.00 26.11 1SG 902 ATOM 902 C VAL 111 3.966 10.537 36.754 1.00 26.11 1SG 903 ATOM 903 O VAL 111 4.262 9.546 36.087 1.00 26.11 1SG 904 ATOM 904 N MET 112 4.330 10.667 38.043 1.00 83.62 1SG 905 ATOM 905 CA MET 112 5.084 9.618 38.663 1.00 83.62 1SG 906 ATOM 906 CB MET 112 5.957 10.125 39.824 1.00 83.62 1SG 907 ATOM 907 CG MET 112 7.004 9.125 40.315 1.00 83.62 1SG 908 ATOM 908 SD MET 112 8.057 9.760 41.656 1.00 83.62 1SG 909 ATOM 909 CE MET 112 9.329 8.475 41.494 1.00 83.62 1SG 910 ATOM 910 C MET 112 4.093 8.644 39.210 1.00 83.62 1SG 911 ATOM 911 O MET 112 3.349 8.956 40.139 1.00 83.62 1SG 912 ATOM 912 N PHE 113 4.049 7.432 38.624 1.00 35.39 1SG 913 ATOM 913 CA PHE 113 3.091 6.460 39.059 1.00 35.39 1SG 914 ATOM 914 CB PHE 113 3.125 5.181 38.203 1.00 35.39 1SG 915 ATOM 915 CG PHE 113 2.016 4.293 38.651 1.00 35.39 1SG 916 ATOM 916 CD1 PHE 113 0.726 4.525 38.231 1.00 35.39 1SG 917 ATOM 917 CD2 PHE 113 2.263 3.222 39.477 1.00 35.39 1SG 918 ATOM 918 CE1 PHE 113 -0.303 3.708 38.639 1.00 35.39 1SG 919 ATOM 919 CE2 PHE 113 1.239 2.401 39.888 1.00 35.39 1SG 920 ATOM 920 CZ PHE 113 -0.047 2.644 39.470 1.00 35.39 1SG 921 ATOM 921 C PHE 113 3.393 6.084 40.473 1.00 35.39 1SG 922 ATOM 922 O PHE 113 2.530 6.182 41.344 1.00 35.39 1SG 923 ATOM 923 N VAL 114 4.646 5.670 40.747 1.00 30.98 1SG 924 ATOM 924 CA VAL 114 4.998 5.289 42.084 1.00 30.98 1SG 925 ATOM 925 CB VAL 114 4.659 3.857 42.403 1.00 30.98 1SG 926 ATOM 926 CG1 VAL 114 5.183 3.511 43.807 1.00 30.98 1SG 927 ATOM 927 CG2 VAL 114 3.140 3.668 42.257 1.00 30.98 1SG 928 ATOM 928 C VAL 114 6.480 5.427 42.209 1.00 30.98 1SG 929 ATOM 929 O VAL 114 7.206 5.352 41.218 1.00 30.98 1SG 930 ATOM 930 N ASP 115 6.968 5.665 43.442 1.00 72.37 1SG 931 ATOM 931 CA ASP 115 8.382 5.750 43.653 1.00 72.37 1SG 932 ATOM 932 CB ASP 115 8.857 7.150 44.087 1.00 72.37 1SG 933 ATOM 933 CG ASP 115 10.380 7.150 44.104 1.00 72.37 1SG 934 ATOM 934 OD1 ASP 115 10.978 6.067 43.864 1.00 72.37 1SG 935 ATOM 935 OD2 ASP 115 10.965 8.238 44.349 1.00 72.37 1SG 936 ATOM 936 C ASP 115 8.712 4.813 44.766 1.00 72.37 1SG 937 ATOM 937 O ASP 115 8.219 4.969 45.887 1.00 72.37 1SG 938 ATOM 938 N LEU 116 9.538 3.788 44.488 1.00117.00 1SG 939 ATOM 939 CA LEU 116 9.904 2.882 45.534 1.00117.00 1SG 940 ATOM 940 CB LEU 116 9.626 1.404 45.218 1.00117.00 1SG 941 ATOM 941 CG LEU 116 10.031 0.453 46.366 1.00117.00 1SG 942 ATOM 942 CD2 LEU 116 9.965 -1.017 45.912 1.00117.00 1SG 943 ATOM 943 CD1 LEU 116 9.217 0.719 47.644 1.00117.00 1SG 944 ATOM 944 C LEU 116 11.370 3.023 45.758 1.00117.00 1SG 945 ATOM 945 O LEU 116 12.128 3.300 44.823 1.00117.00 1SG 946 ATOM 946 N SER 117 11.809 2.855 47.016 1.00 61.01 1SG 947 ATOM 947 CA SER 117 13.206 2.973 47.292 1.00 61.01 1SG 948 ATOM 948 CB SER 117 13.520 3.889 48.485 1.00 61.01 1SG 949 ATOM 949 OG SER 117 14.924 3.954 48.689 1.00 61.01 1SG 950 ATOM 950 C SER 117 13.712 1.617 47.641 1.00 61.01 1SG 951 ATOM 951 O SER 117 13.072 0.872 48.382 1.00 61.01 1SG 952 ATOM 952 N GLU 118 14.883 1.258 47.095 1.00 37.84 1SG 953 ATOM 953 CA GLU 118 15.464 -0.015 47.393 1.00 37.84 1SG 954 ATOM 954 CB GLU 118 15.288 -1.078 46.296 1.00 37.84 1SG 955 ATOM 955 CG GLU 118 13.840 -1.557 46.140 1.00 37.84 1SG 956 ATOM 956 CD GLU 118 13.847 -2.805 45.269 1.00 37.84 1SG 957 ATOM 957 OE1 GLU 118 14.966 -3.234 44.877 1.00 37.84 1SG 958 ATOM 958 OE2 GLU 118 12.745 -3.350 44.994 1.00 37.84 1SG 959 ATOM 959 C GLU 118 16.922 0.218 47.593 1.00 37.84 1SG 960 ATOM 960 O GLU 118 17.375 1.359 47.664 1.00 37.84 1SG 961 ATOM 961 N VAL 119 17.699 -0.870 47.726 1.00 34.47 1SG 962 ATOM 962 CA VAL 119 19.098 -0.704 47.966 1.00 34.47 1SG 963 ATOM 963 CB VAL 119 19.737 -1.909 48.590 1.00 34.47 1SG 964 ATOM 964 CG1 VAL 119 21.240 -1.636 48.761 1.00 34.47 1SG 965 ATOM 965 CG2 VAL 119 19.007 -2.216 49.910 1.00 34.47 1SG 966 ATOM 966 C VAL 119 19.792 -0.436 46.669 1.00 34.47 1SG 967 ATOM 967 O VAL 119 19.452 -0.992 45.626 1.00 34.47 1SG 968 ATOM 968 N ARG 120 20.788 0.466 46.721 1.00139.96 1SG 969 ATOM 969 CA ARG 120 21.597 0.813 45.592 1.00139.96 1SG 970 ATOM 970 CB ARG 120 22.381 -0.384 45.015 1.00139.96 1SG 971 ATOM 971 CG ARG 120 23.408 0.011 43.948 1.00139.96 1SG 972 ATOM 972 CD ARG 120 24.208 -1.166 43.385 1.00139.96 1SG 973 ATOM 973 NE ARG 120 25.156 -0.619 42.372 1.00139.96 1SG 974 ATOM 974 CZ ARG 120 26.036 -1.446 41.734 1.00139.96 1SG 975 ATOM 975 NH1 ARG 120 26.056 -2.780 42.022 1.00139.96 1SG 976 ATOM 976 NH2 ARG 120 26.893 -0.938 40.802 1.00139.96 1SG 977 ATOM 977 C ARG 120 20.743 1.400 44.515 1.00139.96 1SG 978 ATOM 978 O ARG 120 21.132 1.421 43.349 1.00139.96 1SG 979 ATOM 979 N TRP 121 19.555 1.923 44.865 1.00 43.31 1SG 980 ATOM 980 CA TRP 121 18.792 2.551 43.828 1.00 43.31 1SG 981 ATOM 981 CB TRP 121 18.365 1.588 42.704 1.00 43.31 1SG 982 ATOM 982 CG TRP 121 17.371 0.518 43.082 1.00 43.31 1SG 983 ATOM 983 CD2 TRP 121 15.968 0.624 42.834 1.00 43.31 1SG 984 ATOM 984 CD1 TRP 121 17.572 -0.713 43.645 1.00 43.31 1SG 985 ATOM 985 NE1 TRP 121 16.375 -1.378 43.750 1.00 43.31 1SG 986 ATOM 986 CE2 TRP 121 15.374 -0.567 43.253 1.00 43.31 1SG 987 ATOM 987 CE3 TRP 121 15.227 1.634 42.285 1.00 43.31 1SG 988 ATOM 988 CZ2 TRP 121 14.032 -0.765 43.140 1.00 43.31 1SG 989 ATOM 989 CZ3 TRP 121 13.872 1.430 42.172 1.00 43.31 1SG 990 ATOM 990 CH2 TRP 121 13.285 0.254 42.591 1.00 43.31 1SG 991 ATOM 991 C TRP 121 17.540 3.136 44.466 1.00 43.31 1SG 992 ATOM 992 O TRP 121 17.379 2.971 45.704 1.00 43.31 1SG 993 ATOM 993 OXT TRP 121 16.734 3.767 43.729 1.00 43.31 1SG 994 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.762 REMARK SCORE 0.762 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 2 PARENT 1F9Z_A ATOM 1 N MET 1 29.683 42.090 14.292 1.00 52.12 1SG 2 ATOM 2 CA MET 1 30.661 40.979 14.319 1.00 52.12 1SG 3 ATOM 3 CB MET 1 30.339 40.013 15.471 1.00 52.12 1SG 4 ATOM 4 CG MET 1 30.515 40.641 16.855 1.00 52.12 1SG 5 ATOM 5 SD MET 1 29.936 39.605 18.232 1.00 52.12 1SG 6 ATOM 6 CE MET 1 28.175 39.944 17.940 1.00 52.12 1SG 7 ATOM 7 C MET 1 30.620 40.221 13.035 1.00 52.12 1SG 8 ATOM 8 O MET 1 29.720 40.410 12.218 1.00 52.12 1SG 9 ATOM 9 N GLU 2 31.625 39.354 12.815 1.00 69.53 1SG 10 ATOM 10 CA GLU 2 31.668 38.584 11.609 1.00 69.53 1SG 11 ATOM 11 CB GLU 2 32.602 39.167 10.535 1.00 69.53 1SG 12 ATOM 12 CG GLU 2 34.057 39.292 10.992 1.00 69.53 1SG 13 ATOM 13 CD GLU 2 34.865 39.866 9.837 1.00 69.53 1SG 14 ATOM 14 OE1 GLU 2 34.256 40.150 8.771 1.00 69.53 1SG 15 ATOM 15 OE2 GLU 2 36.102 40.034 10.008 1.00 69.53 1SG 16 ATOM 16 C GLU 2 32.198 37.236 11.966 1.00 69.53 1SG 17 ATOM 17 O GLU 2 32.599 37.002 13.105 1.00 69.53 1SG 18 ATOM 18 N ARG 3 32.174 36.303 10.992 1.00 69.37 1SG 19 ATOM 19 CA ARG 3 32.695 34.982 11.201 1.00 69.37 1SG 20 ATOM 20 CB ARG 3 31.889 33.920 10.429 1.00 69.37 1SG 21 ATOM 21 CG ARG 3 32.241 32.462 10.729 1.00 69.37 1SG 22 ATOM 22 CD ARG 3 31.381 31.481 9.926 1.00 69.37 1SG 23 ATOM 23 NE ARG 3 31.786 30.092 10.276 1.00 69.37 1SG 24 ATOM 24 CZ ARG 3 30.942 29.059 9.978 1.00 69.37 1SG 25 ATOM 25 NH1 ARG 3 29.749 29.311 9.366 1.00 69.37 1SG 26 ATOM 26 NH2 ARG 3 31.291 27.777 10.292 1.00 69.37 1SG 27 ATOM 27 C ARG 3 34.088 35.014 10.655 1.00 69.37 1SG 28 ATOM 28 O ARG 3 34.298 35.185 9.455 1.00 69.37 1SG 29 ATOM 29 N PRO 4 35.049 34.891 11.528 1.00131.99 1SG 30 ATOM 30 CA PRO 4 36.422 34.991 11.111 1.00131.99 1SG 31 ATOM 31 CD PRO 4 34.865 35.341 12.897 1.00131.99 1SG 32 ATOM 32 CB PRO 4 37.237 35.177 12.390 1.00131.99 1SG 33 ATOM 33 CG PRO 4 36.242 35.854 13.348 1.00131.99 1SG 34 ATOM 34 C PRO 4 36.929 33.900 10.223 1.00131.99 1SG 35 ATOM 35 O PRO 4 37.732 34.199 9.339 1.00131.99 1SG 36 ATOM 36 N LYS 5 36.508 32.638 10.429 1.00 81.36 1SG 37 ATOM 37 CA LYS 5 37.040 31.606 9.593 1.00 81.36 1SG 38 ATOM 38 CB LYS 5 38.575 31.594 9.558 1.00 81.36 1SG 39 ATOM 39 CG LYS 5 39.206 31.370 10.931 1.00 81.36 1SG 40 ATOM 40 CD LYS 5 40.713 31.132 10.897 1.00 81.36 1SG 41 ATOM 41 CE LYS 5 41.315 30.927 12.288 1.00 81.36 1SG 42 ATOM 42 NZ LYS 5 42.785 30.803 12.186 1.00 81.36 1SG 43 ATOM 43 C LYS 5 36.623 30.289 10.159 1.00 81.36 1SG 44 ATOM 44 O LYS 5 36.211 30.195 11.312 1.00 81.36 1SG 45 ATOM 45 N LEU 6 36.707 29.240 9.323 1.00 84.98 1SG 46 ATOM 46 CA LEU 6 36.446 27.896 9.758 1.00 84.98 1SG 47 ATOM 47 CB LEU 6 35.472 27.119 8.861 1.00 84.98 1SG 48 ATOM 48 CG LEU 6 35.246 25.667 9.324 1.00 84.98 1SG 49 ATOM 49 CD2 LEU 6 34.470 24.857 8.275 1.00 84.98 1SG 50 ATOM 50 CD1 LEU 6 34.599 25.617 10.717 1.00 84.98 1SG 51 ATOM 51 C LEU 6 37.759 27.203 9.677 1.00 84.98 1SG 52 ATOM 52 O LEU 6 38.544 27.459 8.765 1.00 84.98 1SG 53 ATOM 53 N GLY 7 38.057 26.304 10.633 1.00 21.37 1SG 54 ATOM 54 CA GLY 7 39.330 25.669 10.567 1.00 21.37 1SG 55 ATOM 55 C GLY 7 39.104 24.210 10.376 1.00 21.37 1SG 56 ATOM 56 O GLY 7 38.289 23.592 11.058 1.00 21.37 1SG 57 ATOM 57 N LEU 8 39.831 23.612 9.415 1.00 41.15 1SG 58 ATOM 58 CA LEU 8 39.677 22.205 9.212 1.00 41.15 1SG 59 ATOM 59 CB LEU 8 39.278 21.814 7.786 1.00 41.15 1SG 60 ATOM 60 CG LEU 8 37.839 22.234 7.420 1.00 41.15 1SG 61 ATOM 61 CD2 LEU 8 36.851 21.818 8.526 1.00 41.15 1SG 62 ATOM 62 CD1 LEU 8 37.426 21.711 6.035 1.00 41.15 1SG 63 ATOM 63 C LEU 8 40.979 21.549 9.528 1.00 41.15 1SG 64 ATOM 64 O LEU 8 42.050 22.069 9.219 1.00 41.15 1SG 65 ATOM 65 N ILE 9 40.908 20.377 10.182 1.00 96.80 1SG 66 ATOM 66 CA ILE 9 42.097 19.657 10.516 1.00 96.80 1SG 67 ATOM 67 CB ILE 9 42.154 19.241 11.955 1.00 96.80 1SG 68 ATOM 68 CG2 ILE 9 40.854 18.496 12.323 1.00 96.80 1SG 69 ATOM 69 CG1 ILE 9 43.449 18.468 12.227 1.00 96.80 1SG 70 ATOM 70 CD1 ILE 9 43.737 18.246 13.712 1.00 96.80 1SG 71 ATOM 71 C ILE 9 42.127 18.423 9.669 1.00 96.80 1SG 72 ATOM 72 O ILE 9 41.289 17.530 9.802 1.00 96.80 1SG 73 ATOM 73 N VAL 10 43.092 18.337 8.732 1.00149.49 1SG 74 ATOM 74 CA VAL 10 43.076 17.145 7.945 1.00149.49 1SG 75 ATOM 75 CB VAL 10 42.222 17.209 6.722 1.00149.49 1SG 76 ATOM 76 CG1 VAL 10 40.762 17.250 7.154 1.00149.49 1SG 77 ATOM 77 CG2 VAL 10 42.570 18.457 5.949 1.00149.49 1SG 78 ATOM 78 C VAL 10 44.469 16.682 7.637 1.00149.49 1SG 79 ATOM 79 O VAL 10 45.436 17.425 7.755 1.00149.49 1SG 80 ATOM 80 N ARG 11 44.613 15.447 7.150 1.00130.94 1SG 81 ATOM 81 CA ARG 11 45.892 14.783 7.150 1.00130.94 1SG 82 ATOM 82 CB ARG 11 45.844 13.379 6.523 1.00130.94 1SG 83 ATOM 83 CG ARG 11 47.055 12.508 6.883 1.00130.94 1SG 84 ATOM 84 CD ARG 11 47.035 11.138 6.197 1.00130.94 1SG 85 ATOM 85 NE ARG 11 48.216 10.351 6.658 1.00130.94 1SG 86 ATOM 86 CZ ARG 11 48.186 8.988 6.551 1.00130.94 1SG 87 ATOM 87 NH1 ARG 11 47.062 8.378 6.075 1.00130.94 1SG 88 ATOM 88 NH2 ARG 11 49.264 8.231 6.907 1.00130.94 1SG 89 ATOM 89 C ARG 11 47.028 15.510 6.485 1.00130.94 1SG 90 ATOM 90 O ARG 11 48.053 15.723 7.127 1.00130.94 1SG 91 ATOM 91 N GLU 12 46.922 15.943 5.218 1.00 66.94 1SG 92 ATOM 92 CA GLU 12 48.135 16.476 4.644 1.00 66.94 1SG 93 ATOM 93 CB GLU 12 48.750 15.556 3.573 1.00 66.94 1SG 94 ATOM 94 CG GLU 12 50.030 16.074 2.900 1.00 66.94 1SG 95 ATOM 95 CD GLU 12 50.540 15.020 1.936 1.00 66.94 1SG 96 ATOM 96 OE1 GLU 12 49.803 14.028 1.703 1.00 66.94 1SG 97 ATOM 97 OE2 GLU 12 51.679 15.188 1.427 1.00 66.94 1SG 98 ATOM 98 C GLU 12 47.881 17.804 4.014 1.00 66.94 1SG 99 ATOM 99 O GLU 12 46.740 18.206 3.801 1.00 66.94 1SG 100 ATOM 100 N PRO 13 48.948 18.504 3.743 1.00236.59 1SG 101 ATOM 101 CA PRO 13 48.794 19.763 3.079 1.00236.59 1SG 102 ATOM 102 CD PRO 13 50.085 18.520 4.659 1.00236.59 1SG 103 ATOM 103 CB PRO 13 50.200 20.376 3.067 1.00236.59 1SG 104 ATOM 104 CG PRO 13 50.815 19.854 4.381 1.00236.59 1SG 105 ATOM 105 C PRO 13 48.148 19.524 1.748 1.00236.59 1SG 106 ATOM 106 O PRO 13 48.638 18.685 0.986 1.00236.59 1SG 107 ATOM 107 N TYR 14 47.050 20.250 1.462 1.00234.38 1SG 108 ATOM 108 CA TYR 14 46.314 20.070 0.259 1.00234.38 1SG 109 ATOM 109 CB TYR 14 44.870 19.783 0.665 1.00234.38 1SG 110 ATOM 110 CG TYR 14 44.253 21.078 1.062 1.00234.38 1SG 111 ATOM 111 CD1 TYR 14 44.814 21.874 2.023 1.00234.38 1SG 112 ATOM 112 CD2 TYR 14 43.131 21.522 0.411 1.00234.38 1SG 113 ATOM 113 CE1 TYR 14 44.261 23.083 2.346 1.00234.38 1SG 114 ATOM 114 CE2 TYR 14 42.563 22.725 0.717 1.00234.38 1SG 115 ATOM 115 CZ TYR 14 43.128 23.497 1.683 1.00234.38 1SG 116 ATOM 116 OH TYR 14 42.556 24.740 2.005 1.00234.38 1SG 117 ATOM 117 C TYR 14 46.359 21.387 -0.450 1.00234.38 1SG 118 ATOM 118 O TYR 14 45.493 21.734 -1.255 1.00234.38 1SG 119 ATOM 119 N ALA 15 47.480 22.098 -0.250 1.00 41.52 1SG 120 ATOM 120 CA ALA 15 47.603 23.446 -0.708 1.00 41.52 1SG 121 ATOM 121 CB ALA 15 48.981 24.063 -0.397 1.00 41.52 1SG 122 ATOM 122 C ALA 15 47.418 23.449 -2.182 1.00 41.52 1SG 123 ATOM 123 O ALA 15 46.791 24.354 -2.730 1.00 41.52 1SG 124 ATOM 124 N SER 16 47.971 22.430 -2.851 1.00 68.20 1SG 125 ATOM 125 CA SER 16 47.859 22.313 -4.267 1.00 68.20 1SG 126 ATOM 126 CB SER 16 48.717 21.176 -4.836 1.00 68.20 1SG 127 ATOM 127 OG SER 16 48.579 21.125 -6.253 1.00 68.20 1SG 128 ATOM 128 C SER 16 46.435 22.044 -4.642 1.00 68.20 1SG 129 ATOM 129 O SER 16 45.919 22.688 -5.552 1.00 68.20 1SG 130 ATOM 130 N LEU 17 45.742 21.112 -3.953 1.00101.80 1SG 131 ATOM 131 CA LEU 17 44.421 20.801 -4.432 1.00101.80 1SG 132 ATOM 132 CB LEU 17 43.743 19.650 -3.685 1.00101.80 1SG 133 ATOM 133 CG LEU 17 42.449 19.070 -4.331 1.00101.80 1SG 134 ATOM 134 CD2 LEU 17 42.767 18.282 -5.605 1.00101.80 1SG 135 ATOM 135 CD1 LEU 17 41.339 20.120 -4.541 1.00101.80 1SG 136 ATOM 136 C LEU 17 43.573 22.020 -4.299 1.00101.80 1SG 137 ATOM 137 O LEU 17 42.906 22.413 -5.251 1.00101.80 1SG 138 ATOM 138 N ILE 18 43.603 22.684 -3.132 1.00 99.07 1SG 139 ATOM 139 CA ILE 18 42.716 23.796 -2.984 1.00 99.07 1SG 140 ATOM 140 CB ILE 18 42.715 24.430 -1.626 1.00 99.07 1SG 141 ATOM 141 CG2 ILE 18 44.109 24.982 -1.277 1.00 99.07 1SG 142 ATOM 142 CG1 ILE 18 41.576 25.448 -1.569 1.00 99.07 1SG 143 ATOM 143 CD1 ILE 18 41.228 25.907 -0.167 1.00 99.07 1SG 144 ATOM 144 C ILE 18 43.042 24.876 -3.957 1.00 99.07 1SG 145 ATOM 145 O ILE 18 42.146 25.411 -4.606 1.00 99.07 1SG 146 ATOM 146 N VAL 19 44.322 25.263 -4.073 1.00 42.22 1SG 147 ATOM 147 CA VAL 19 44.565 26.363 -4.949 1.00 42.22 1SG 148 ATOM 148 CB VAL 19 45.964 26.886 -4.869 1.00 42.22 1SG 149 ATOM 149 CG1 VAL 19 46.110 27.993 -5.929 1.00 42.22 1SG 150 ATOM 150 CG2 VAL 19 46.237 27.355 -3.434 1.00 42.22 1SG 151 ATOM 151 C VAL 19 44.343 25.969 -6.371 1.00 42.22 1SG 152 ATOM 152 O VAL 19 43.625 26.644 -7.105 1.00 42.22 1SG 153 ATOM 153 N ASP 20 44.961 24.853 -6.799 1.00 53.65 1SG 154 ATOM 154 CA ASP 20 44.929 24.556 -8.197 1.00 53.65 1SG 155 ATOM 155 CB ASP 20 45.822 23.353 -8.544 1.00 53.65 1SG 156 ATOM 156 CG ASP 20 47.256 23.785 -8.270 1.00 53.65 1SG 157 ATOM 157 OD1 ASP 20 47.460 24.992 -7.970 1.00 53.65 1SG 158 ATOM 158 OD2 ASP 20 48.167 22.920 -8.352 1.00 53.65 1SG 159 ATOM 159 C ASP 20 43.545 24.275 -8.700 1.00 53.65 1SG 160 ATOM 160 O ASP 20 43.011 25.048 -9.495 1.00 53.65 1SG 161 ATOM 161 N GLY 21 42.925 23.166 -8.241 1.00 47.84 1SG 162 ATOM 162 CA GLY 21 41.638 22.762 -8.749 1.00 47.84 1SG 163 ATOM 163 C GLY 21 40.530 23.640 -8.272 1.00 47.84 1SG 164 ATOM 164 O GLY 21 39.707 24.101 -9.060 1.00 47.84 1SG 165 ATOM 165 N ARG 22 40.501 23.873 -6.950 1.00102.62 1SG 166 ATOM 166 CA ARG 22 39.469 24.593 -6.269 1.00102.62 1SG 167 ATOM 167 CB ARG 22 39.495 24.395 -4.739 1.00102.62 1SG 168 ATOM 168 CG ARG 22 39.214 22.944 -4.337 1.00102.62 1SG 169 ATOM 169 CD ARG 22 38.947 22.716 -2.852 1.00102.62 1SG 170 ATOM 170 NE ARG 22 38.781 21.260 -2.656 1.00102.62 1SG 171 ATOM 171 CZ ARG 22 37.602 20.656 -3.009 1.00102.62 1SG 172 ATOM 172 NH1 ARG 22 36.615 21.389 -3.631 1.00102.62 1SG 173 ATOM 173 NH2 ARG 22 37.418 19.336 -2.787 1.00102.62 1SG 174 ATOM 174 C ARG 22 39.537 26.050 -6.591 1.00102.62 1SG 175 ATOM 175 O ARG 22 38.518 26.737 -6.534 1.00102.62 1SG 176 ATOM 176 N LYS 23 40.734 26.555 -6.956 1.00222.74 1SG 177 ATOM 177 CA LYS 23 40.869 27.955 -7.253 1.00222.74 1SG 178 ATOM 178 CB LYS 23 39.799 28.425 -8.264 1.00222.74 1SG 179 ATOM 179 CG LYS 23 39.868 29.895 -8.676 1.00222.74 1SG 180 ATOM 180 CD LYS 23 38.950 30.209 -9.861 1.00222.74 1SG 181 ATOM 181 CE LYS 23 38.782 31.703 -10.154 1.00222.74 1SG 182 ATOM 182 NZ LYS 23 37.643 31.911 -11.079 1.00222.74 1SG 183 ATOM 183 C LYS 23 40.731 28.756 -5.994 1.00222.74 1SG 184 ATOM 184 O LYS 23 39.981 29.730 -5.938 1.00222.74 1SG 185 ATOM 185 N VAL 24 41.469 28.350 -4.932 1.00 64.75 1SG 186 ATOM 186 CA VAL 24 41.520 29.075 -3.693 1.00 64.75 1SG 187 ATOM 187 CB VAL 24 41.230 28.230 -2.487 1.00 64.75 1SG 188 ATOM 188 CG1 VAL 24 41.334 29.094 -1.220 1.00 64.75 1SG 189 ATOM 189 CG2 VAL 24 39.856 27.575 -2.680 1.00 64.75 1SG 190 ATOM 190 C VAL 24 42.931 29.570 -3.564 1.00 64.75 1SG 191 ATOM 191 O VAL 24 43.846 29.023 -4.175 1.00 64.75 1SG 192 ATOM 192 N TRP 25 43.125 30.631 -2.764 1.00 87.90 1SG 193 ATOM 193 CA TRP 25 44.409 31.262 -2.612 1.00 87.90 1SG 194 ATOM 194 CB TRP 25 44.290 32.784 -2.418 1.00 87.90 1SG 195 ATOM 195 CG TRP 25 43.738 33.558 -3.587 1.00 87.90 1SG 196 ATOM 196 CD2 TRP 25 42.903 34.718 -3.443 1.00 87.90 1SG 197 ATOM 197 CD1 TRP 25 43.878 33.344 -4.927 1.00 87.90 1SG 198 ATOM 198 NE1 TRP 25 43.192 34.308 -5.630 1.00 87.90 1SG 199 ATOM 199 CE2 TRP 25 42.588 35.161 -4.727 1.00 87.90 1SG 200 ATOM 200 CE3 TRP 25 42.442 35.366 -2.330 1.00 87.90 1SG 201 ATOM 201 CZ2 TRP 25 41.794 36.256 -4.920 1.00 87.90 1SG 202 ATOM 202 CZ3 TRP 25 41.646 36.473 -2.527 1.00 87.90 1SG 203 ATOM 203 CH2 TRP 25 41.329 36.908 -3.798 1.00 87.90 1SG 204 ATOM 204 C TRP 25 45.035 30.786 -1.338 1.00 87.90 1SG 205 ATOM 205 O TRP 25 44.339 30.484 -0.369 1.00 87.90 1SG 206 ATOM 206 N GLU 26 46.379 30.684 -1.319 1.00 87.76 1SG 207 ATOM 207 CA GLU 26 47.062 30.398 -0.090 1.00 87.76 1SG 208 ATOM 208 CB GLU 26 48.268 29.457 -0.243 1.00 87.76 1SG 209 ATOM 209 CG GLU 26 48.978 29.167 1.082 1.00 87.76 1SG 210 ATOM 210 CD GLU 26 50.307 28.489 0.773 1.00 87.76 1SG 211 ATOM 211 OE1 GLU 26 50.595 28.274 -0.434 1.00 87.76 1SG 212 ATOM 212 OE2 GLU 26 51.056 28.182 1.740 1.00 87.76 1SG 213 ATOM 213 C GLU 26 47.623 31.712 0.333 1.00 87.76 1SG 214 ATOM 214 O GLU 26 48.738 32.068 -0.051 1.00 87.76 1SG 215 ATOM 215 N ILE 27 46.865 32.480 1.134 1.00 93.96 1SG 216 ATOM 216 CA ILE 27 47.368 33.781 1.457 1.00 93.96 1SG 217 ATOM 217 CB ILE 27 46.349 34.727 2.026 1.00 93.96 1SG 218 ATOM 218 CG2 ILE 27 45.993 34.289 3.451 1.00 93.96 1SG 219 ATOM 219 CG1 ILE 27 46.882 36.169 1.923 1.00 93.96 1SG 220 ATOM 220 CD1 ILE 27 45.807 37.244 2.069 1.00 93.96 1SG 221 ATOM 221 C ILE 27 48.567 33.698 2.356 1.00 93.96 1SG 222 ATOM 222 O ILE 27 49.566 34.374 2.113 1.00 93.96 1SG 223 ATOM 223 N ARG 28 48.528 32.866 3.419 1.00 79.67 1SG 224 ATOM 224 CA ARG 28 49.698 32.823 4.251 1.00 79.67 1SG 225 ATOM 225 CB ARG 28 49.720 33.897 5.352 1.00 79.67 1SG 226 ATOM 226 CG ARG 28 48.545 33.819 6.328 1.00 79.67 1SG 227 ATOM 227 CD ARG 28 48.573 34.911 7.403 1.00 79.67 1SG 228 ATOM 228 NE ARG 28 47.367 34.732 8.261 1.00 79.67 1SG 229 ATOM 229 CZ ARG 28 47.400 33.878 9.325 1.00 79.67 1SG 230 ATOM 230 NH1 ARG 28 48.539 33.181 9.607 1.00 79.67 1SG 231 ATOM 231 NH2 ARG 28 46.295 33.726 10.111 1.00 79.67 1SG 232 ATOM 232 C ARG 28 49.811 31.483 4.906 1.00 79.67 1SG 233 ATOM 233 O ARG 28 48.843 30.729 4.992 1.00 79.67 1SG 234 ATOM 234 N ARG 29 51.037 31.155 5.366 1.00 85.49 1SG 235 ATOM 235 CA ARG 29 51.310 29.911 6.034 1.00 85.49 1SG 236 ATOM 236 CB ARG 29 52.035 28.897 5.136 1.00 85.49 1SG 237 ATOM 237 CG ARG 29 52.332 27.564 5.823 1.00 85.49 1SG 238 ATOM 238 CD ARG 29 53.078 26.575 4.924 1.00 85.49 1SG 239 ATOM 239 NE ARG 29 53.310 25.333 5.715 1.00 85.49 1SG 240 ATOM 240 CZ ARG 29 53.877 24.245 5.117 1.00 85.49 1SG 241 ATOM 241 NH1 ARG 29 54.222 24.293 3.797 1.00 85.49 1SG 242 ATOM 242 NH2 ARG 29 54.095 23.108 5.839 1.00 85.49 1SG 243 ATOM 243 C ARG 29 52.218 30.216 7.182 1.00 85.49 1SG 244 ATOM 244 O ARG 29 52.943 31.209 7.164 1.00 85.49 1SG 245 ATOM 245 N ARG 30 52.188 29.369 8.237 1.00 88.92 1SG 246 ATOM 246 CA ARG 30 53.041 29.593 9.366 1.00 88.92 1SG 247 ATOM 247 CB ARG 30 52.406 30.490 10.445 1.00 88.92 1SG 248 ATOM 248 CG ARG 30 53.312 30.730 11.653 1.00 88.92 1SG 249 ATOM 249 CD ARG 30 52.622 31.472 12.804 1.00 88.92 1SG 250 ATOM 250 NE ARG 30 53.619 31.620 13.904 1.00 88.92 1SG 251 ATOM 251 CZ ARG 30 53.289 32.298 15.042 1.00 88.92 1SG 252 ATOM 252 NH1 ARG 30 52.045 32.846 15.177 1.00 88.92 1SG 253 ATOM 253 NH2 ARG 30 54.204 32.429 16.046 1.00 88.92 1SG 254 ATOM 254 C ARG 30 53.321 28.274 10.016 1.00 88.92 1SG 255 ATOM 255 O ARG 30 52.640 27.284 9.766 1.00 88.92 1SG 256 ATOM 256 N LYS 31 54.374 28.235 10.860 1.00 74.78 1SG 257 ATOM 257 CA LYS 31 54.698 27.061 11.617 1.00 74.78 1SG 258 ATOM 258 CB LYS 31 56.143 26.568 11.442 1.00 74.78 1SG 259 ATOM 259 CG LYS 31 56.367 25.733 10.178 1.00 74.78 1SG 260 ATOM 260 CD LYS 31 56.170 26.494 8.865 1.00 74.78 1SG 261 ATOM 261 CE LYS 31 56.399 25.624 7.625 1.00 74.78 1SG 262 ATOM 262 NZ LYS 31 56.103 26.394 6.397 1.00 74.78 1SG 263 ATOM 263 C LYS 31 54.513 27.439 13.050 1.00 74.78 1SG 264 ATOM 264 O LYS 31 54.579 28.616 13.400 1.00 74.78 1SG 265 ATOM 265 N THR 32 54.252 26.449 13.927 1.00 93.49 1SG 266 ATOM 266 CA THR 32 54.020 26.820 15.290 1.00 93.49 1SG 267 ATOM 267 CB THR 32 52.648 26.490 15.790 1.00 93.49 1SG 268 ATOM 268 OG1 THR 32 52.409 27.148 17.025 1.00 93.49 1SG 269 ATOM 269 CG2 THR 32 52.556 24.966 15.984 1.00 93.49 1SG 270 ATOM 270 C THR 32 54.971 26.084 16.170 1.00 93.49 1SG 271 ATOM 271 O THR 32 55.645 25.144 15.754 1.00 93.49 1SG 272 ATOM 272 N ARG 33 55.037 26.541 17.432 1.00 58.32 1SG 273 ATOM 273 CA ARG 33 55.872 25.985 18.450 1.00 58.32 1SG 274 ATOM 274 CB ARG 33 55.751 26.773 19.770 1.00 58.32 1SG 275 ATOM 275 CG ARG 33 56.565 26.228 20.947 1.00 58.32 1SG 276 ATOM 276 CD ARG 33 56.369 27.056 22.222 1.00 58.32 1SG 277 ATOM 277 NE ARG 33 57.045 26.352 23.349 1.00 58.32 1SG 278 ATOM 278 CZ ARG 33 56.888 26.813 24.625 1.00 58.32 1SG 279 ATOM 279 NH1 ARG 33 56.130 27.924 24.861 1.00 58.32 1SG 280 ATOM 280 NH2 ARG 33 57.484 26.163 25.667 1.00 58.32 1SG 281 ATOM 281 C ARG 33 55.425 24.584 18.713 1.00 58.32 1SG 282 ATOM 282 O ARG 33 56.248 23.688 18.897 1.00 58.32 1SG 283 ATOM 283 N HIS 34 54.097 24.353 18.717 1.00138.63 1SG 284 ATOM 284 CA HIS 34 53.625 23.050 19.079 1.00138.63 1SG 285 ATOM 285 ND1 HIS 34 52.265 25.191 21.249 1.00138.63 1SG 286 ATOM 286 CG HIS 34 52.343 23.821 21.119 1.00138.63 1SG 287 ATOM 287 CB HIS 34 52.268 23.094 19.806 1.00138.63 1SG 288 ATOM 288 NE2 HIS 34 52.521 24.374 23.301 1.00138.63 1SG 289 ATOM 289 CD2 HIS 34 52.499 23.339 22.383 1.00138.63 1SG 290 ATOM 290 CE1 HIS 34 52.378 25.467 22.573 1.00138.63 1SG 291 ATOM 291 C HIS 34 53.481 22.177 17.870 1.00138.63 1SG 292 ATOM 292 O HIS 34 52.462 21.510 17.699 1.00138.63 1SG 293 ATOM 293 N ARG 35 54.514 22.152 17.007 1.00134.18 1SG 294 ATOM 294 CA ARG 35 54.585 21.238 15.898 1.00134.18 1SG 295 ATOM 295 CB ARG 35 54.927 19.808 16.355 1.00134.18 1SG 296 ATOM 296 CG ARG 35 56.272 19.736 17.091 1.00134.18 1SG 297 ATOM 297 CD ARG 35 56.605 18.360 17.676 1.00134.18 1SG 298 ATOM 298 NE ARG 35 57.927 18.467 18.358 1.00134.18 1SG 299 ATOM 299 CZ ARG 35 58.304 17.524 19.270 1.00134.18 1SG 300 ATOM 300 NH1 ARG 35 57.481 16.470 19.544 1.00134.18 1SG 301 ATOM 301 NH2 ARG 35 59.508 17.629 19.906 1.00134.18 1SG 302 ATOM 302 C ARG 35 53.311 21.217 15.108 1.00134.18 1SG 303 ATOM 303 O ARG 35 52.772 20.150 14.814 1.00134.18 1SG 304 ATOM 304 N GLY 36 52.792 22.397 14.728 1.00 41.07 1SG 305 ATOM 305 CA GLY 36 51.604 22.405 13.926 1.00 41.07 1SG 306 ATOM 306 C GLY 36 51.772 23.515 12.948 1.00 41.07 1SG 307 ATOM 307 O GLY 36 52.179 24.624 13.288 1.00 41.07 1SG 308 ATOM 308 N PRO 37 51.478 23.206 11.724 1.00 93.88 1SG 309 ATOM 309 CA PRO 37 51.582 24.210 10.705 1.00 93.88 1SG 310 ATOM 310 CD PRO 37 51.838 21.895 11.213 1.00 93.88 1SG 311 ATOM 311 CB PRO 37 51.850 23.486 9.386 1.00 93.88 1SG 312 ATOM 312 CG PRO 37 51.608 22.006 9.702 1.00 93.88 1SG 313 ATOM 313 C PRO 37 50.345 25.040 10.704 1.00 93.88 1SG 314 ATOM 314 O PRO 37 49.452 24.777 11.508 1.00 93.88 1SG 315 ATOM 315 N LEU 38 50.303 26.095 9.879 1.00 62.89 1SG 316 ATOM 316 CA LEU 38 49.089 26.838 9.735 1.00 62.89 1SG 317 ATOM 317 CB LEU 38 48.985 28.080 10.640 1.00 62.89 1SG 318 ATOM 318 CG LEU 38 48.897 27.740 12.140 1.00 62.89 1SG 319 ATOM 319 CD2 LEU 38 47.762 26.743 12.428 1.00 62.89 1SG 320 ATOM 320 CD1 LEU 38 48.787 29.013 12.997 1.00 62.89 1SG 321 ATOM 321 C LEU 38 49.052 27.302 8.321 1.00 62.89 1SG 322 ATOM 322 O LEU 38 50.035 27.819 7.797 1.00 62.89 1SG 323 ATOM 323 N GLY 39 47.903 27.105 7.650 1.00 31.06 1SG 324 ATOM 324 CA GLY 39 47.799 27.582 6.311 1.00 31.06 1SG 325 ATOM 325 C GLY 39 46.498 28.274 6.257 1.00 31.06 1SG 326 ATOM 326 O GLY 39 45.535 27.844 6.884 1.00 31.06 1SG 327 ATOM 327 N ILE 40 46.419 29.390 5.528 1.00 93.33 1SG 328 ATOM 328 CA ILE 40 45.134 29.995 5.446 1.00 93.33 1SG 329 ATOM 329 CB ILE 40 45.064 31.297 6.188 1.00 93.33 1SG 330 ATOM 330 CG2 ILE 40 46.088 32.265 5.584 1.00 93.33 1SG 331 ATOM 331 CG1 ILE 40 43.616 31.795 6.281 1.00 93.33 1SG 332 ATOM 332 CD1 ILE 40 43.418 32.977 7.231 1.00 93.33 1SG 333 ATOM 333 C ILE 40 44.848 30.183 3.995 1.00 93.33 1SG 334 ATOM 334 O ILE 40 45.611 30.829 3.276 1.00 93.33 1SG 335 ATOM 335 N VAL 41 43.744 29.579 3.515 1.00104.01 1SG 336 ATOM 336 CA VAL 41 43.408 29.667 2.121 1.00104.01 1SG 337 ATOM 337 CB VAL 41 43.403 28.362 1.398 1.00104.01 1SG 338 ATOM 338 CG1 VAL 41 44.808 27.738 1.455 1.00104.01 1SG 339 ATOM 339 CG2 VAL 41 42.292 27.519 2.029 1.00104.01 1SG 340 ATOM 340 C VAL 41 42.005 30.152 2.038 1.00104.01 1SG 341 ATOM 341 O VAL 41 41.203 29.916 2.941 1.00104.01 1SG 342 ATOM 342 N SER 42 41.681 30.878 0.953 1.00 81.49 1SG 343 ATOM 343 CA SER 42 40.328 31.309 0.833 1.00 81.49 1SG 344 ATOM 344 CB SER 42 39.896 32.323 1.903 1.00 81.49 1SG 345 ATOM 345 OG SER 42 38.535 32.687 1.715 1.00 81.49 1SG 346 ATOM 346 C SER 42 40.152 31.974 -0.486 1.00 81.49 1SG 347 ATOM 347 O SER 42 41.117 32.289 -1.181 1.00 81.49 1SG 348 ATOM 348 N GLY 43 38.879 32.152 -0.873 1.00 26.60 1SG 349 ATOM 349 CA GLY 43 38.534 32.856 -2.065 1.00 26.60 1SG 350 ATOM 350 C GLY 43 38.879 34.295 -1.857 1.00 26.60 1SG 351 ATOM 351 O GLY 43 39.335 34.973 -2.775 1.00 26.60 1SG 352 ATOM 352 N GLY 44 38.654 34.800 -0.626 1.00 66.35 1SG 353 ATOM 353 CA GLY 44 38.861 36.193 -0.352 1.00 66.35 1SG 354 ATOM 354 C GLY 44 40.033 36.368 0.560 1.00 66.35 1SG 355 ATOM 355 O GLY 44 40.854 35.471 0.739 1.00 66.35 1SG 356 ATOM 356 N ARG 45 40.113 37.566 1.167 1.00 95.86 1SG 357 ATOM 357 CA ARG 45 41.196 37.967 2.014 1.00 95.86 1SG 358 ATOM 358 CB ARG 45 41.235 39.485 2.252 1.00 95.86 1SG 359 ATOM 359 CG ARG 45 41.110 40.282 0.953 1.00 95.86 1SG 360 ATOM 360 CD ARG 45 41.847 39.655 -0.231 1.00 95.86 1SG 361 ATOM 361 NE ARG 45 41.406 40.373 -1.461 1.00 95.86 1SG 362 ATOM 362 CZ ARG 45 40.278 39.970 -2.115 1.00 95.86 1SG 363 ATOM 363 NH1 ARG 45 39.542 38.928 -1.626 1.00 95.86 1SG 364 ATOM 364 NH2 ARG 45 39.883 40.604 -3.256 1.00 95.86 1SG 365 ATOM 365 C ARG 45 41.028 37.313 3.345 1.00 95.86 1SG 366 ATOM 366 O ARG 45 40.113 36.520 3.557 1.00 95.86 1SG 367 ATOM 367 N LEU 46 41.948 37.619 4.279 1.00107.39 1SG 368 ATOM 368 CA LEU 46 41.870 37.080 5.602 1.00107.39 1SG 369 ATOM 369 CB LEU 46 43.006 37.521 6.543 1.00107.39 1SG 370 ATOM 370 CG LEU 46 44.377 36.885 6.233 1.00107.39 1SG 371 ATOM 371 CD2 LEU 46 45.357 37.085 7.400 1.00107.39 1SG 372 ATOM 372 CD1 LEU 46 44.945 37.361 4.888 1.00107.39 1SG 373 ATOM 373 C LEU 46 40.573 37.528 6.178 1.00107.39 1SG 374 ATOM 374 O LEU 46 39.994 36.834 7.010 1.00107.39 1SG 375 ATOM 375 N ILE 47 40.081 38.712 5.769 1.00215.26 1SG 376 ATOM 376 CA ILE 47 38.798 39.107 6.265 1.00215.26 1SG 377 ATOM 377 CB ILE 47 38.520 40.579 6.076 1.00215.26 1SG 378 ATOM 378 CG2 ILE 47 38.748 40.962 4.600 1.00215.26 1SG 379 ATOM 379 CG1 ILE 47 37.137 40.957 6.642 1.00215.26 1SG 380 ATOM 380 CD1 ILE 47 36.921 42.466 6.756 1.00215.26 1SG 381 ATOM 381 C ILE 47 37.801 38.280 5.515 1.00215.26 1SG 382 ATOM 382 O ILE 47 37.231 38.690 4.507 1.00215.26 1SG 383 ATOM 383 N GLY 48 37.574 37.062 6.038 1.00 65.73 1SG 384 ATOM 384 CA GLY 48 36.722 36.064 5.465 1.00 65.73 1SG 385 ATOM 385 C GLY 48 37.634 35.076 4.811 1.00 65.73 1SG 386 ATOM 386 O GLY 48 37.951 35.195 3.629 1.00 65.73 1SG 387 ATOM 387 N GLN 49 38.073 34.052 5.571 1.00103.74 1SG 388 ATOM 388 CA GLN 49 38.984 33.083 5.027 1.00103.74 1SG 389 ATOM 389 CB GLN 49 40.444 33.582 5.013 1.00103.74 1SG 390 ATOM 390 CG GLN 49 41.442 32.599 4.394 1.00103.74 1SG 391 ATOM 391 CD GLN 49 42.693 33.366 3.978 1.00103.74 1SG 392 ATOM 392 OE1 GLN 49 43.644 32.764 3.480 1.00103.74 1SG 393 ATOM 393 NE2 GLN 49 42.696 34.712 4.173 1.00103.74 1SG 394 ATOM 394 C GLN 49 38.873 31.843 5.854 1.00103.74 1SG 395 ATOM 395 O GLN 49 38.156 31.817 6.854 1.00103.74 1SG 396 ATOM 396 N ALA 50 39.562 30.761 5.438 1.00 28.57 1SG 397 ATOM 397 CA ALA 50 39.501 29.527 6.168 1.00 28.57 1SG 398 ATOM 398 CB ALA 50 39.098 28.317 5.308 1.00 28.57 1SG 399 ATOM 399 C ALA 50 40.867 29.249 6.704 1.00 28.57 1SG 400 ATOM 400 O ALA 50 41.879 29.549 6.073 1.00 28.57 1SG 401 ATOM 401 N ASP 51 40.923 28.672 7.916 1.00 75.78 1SG 402 ATOM 402 CA ASP 51 42.189 28.383 8.508 1.00 75.78 1SG 403 ATOM 403 CB ASP 51 42.276 28.752 9.996 1.00 75.78 1SG 404 ATOM 404 CG ASP 51 43.703 28.516 10.467 1.00 75.78 1SG 405 ATOM 405 OD1 ASP 51 44.611 28.457 9.597 1.00 75.78 1SG 406 ATOM 406 OD2 ASP 51 43.906 28.397 11.706 1.00 75.78 1SG 407 ATOM 407 C ASP 51 42.407 26.916 8.416 1.00 75.78 1SG 408 ATOM 408 O ASP 51 41.490 26.117 8.611 1.00 75.78 1SG 409 ATOM 409 N LEU 52 43.647 26.520 8.096 1.00 86.76 1SG 410 ATOM 410 CA LEU 52 43.929 25.128 8.012 1.00 86.76 1SG 411 ATOM 411 CB LEU 52 44.930 24.772 6.900 1.00 86.76 1SG 412 ATOM 412 CG LEU 52 44.784 25.544 5.570 1.00 86.76 1SG 413 ATOM 413 CD2 LEU 52 43.354 25.983 5.219 1.00 86.76 1SG 414 ATOM 414 CD1 LEU 52 45.504 24.789 4.441 1.00 86.76 1SG 415 ATOM 415 C LEU 52 44.682 24.846 9.265 1.00 86.76 1SG 416 ATOM 416 O LEU 52 45.748 25.429 9.487 1.00 86.76 1SG 417 ATOM 417 N VAL 53 44.160 23.957 10.131 1.00133.55 1SG 418 ATOM 418 CA VAL 53 44.979 23.637 11.260 1.00133.55 1SG 419 ATOM 419 CB VAL 53 44.358 22.710 12.262 1.00133.55 1SG 420 ATOM 420 CG1 VAL 53 44.260 21.302 11.653 1.00133.55 1SG 421 ATOM 421 CG2 VAL 53 45.176 22.796 13.566 1.00133.55 1SG 422 ATOM 422 C VAL 53 46.122 22.942 10.619 1.00133.55 1SG 423 ATOM 423 O VAL 53 45.943 22.387 9.536 1.00133.55 1SG 424 ATOM 424 N GLY 54 47.313 22.944 11.240 1.00103.46 1SG 425 ATOM 425 CA GLY 54 48.462 22.435 10.549 1.00103.46 1SG 426 ATOM 426 C GLY 54 48.377 20.989 10.340 1.00103.46 1SG 427 ATOM 427 O GLY 54 49.334 20.371 9.858 1.00103.46 1SG 428 ATOM 428 N VAL 55 47.271 20.364 10.740 1.00164.98 1SG 429 ATOM 429 CA VAL 55 47.219 19.042 10.244 1.00164.98 1SG 430 ATOM 430 CB VAL 55 46.077 18.314 10.911 1.00164.98 1SG 431 ATOM 431 CG1 VAL 55 45.949 16.879 10.380 1.00164.98 1SG 432 ATOM 432 CG2 VAL 55 46.384 18.340 12.421 1.00164.98 1SG 433 ATOM 433 C VAL 55 47.101 19.274 8.759 1.00164.98 1SG 434 ATOM 434 O VAL 55 47.884 18.719 7.998 1.00164.98 1SG 435 ATOM 435 N GLU 56 46.101 20.108 8.324 1.00167.40 1SG 436 ATOM 436 CA GLU 56 46.019 20.773 7.033 1.00167.40 1SG 437 ATOM 437 CB GLU 56 47.417 20.871 6.376 1.00167.40 1SG 438 ATOM 438 CG GLU 56 48.439 21.539 7.311 1.00167.40 1SG 439 ATOM 439 CD GLU 56 49.843 21.018 7.042 1.00167.40 1SG 440 ATOM 440 OE1 GLU 56 50.087 19.815 7.344 1.00167.40 1SG 441 ATOM 441 OE2 GLU 56 50.700 21.812 6.576 1.00167.40 1SG 442 ATOM 442 C GLU 56 45.062 20.204 5.988 1.00167.40 1SG 443 ATOM 443 O GLU 56 45.211 19.036 5.650 1.00167.40 1SG 444 ATOM 444 N GLY 57 44.071 21.014 5.455 1.00105.87 1SG 445 ATOM 445 CA GLY 57 43.317 20.683 4.229 1.00105.87 1SG 446 ATOM 446 C GLY 57 41.796 21.015 4.174 1.00105.87 1SG 447 ATOM 447 O GLY 57 40.943 20.267 4.647 1.00105.87 1SG 448 ATOM 448 N PRO 58 41.487 22.179 3.618 1.00208.46 1SG 449 ATOM 449 CA PRO 58 40.113 22.581 3.233 1.00208.46 1SG 450 ATOM 450 CD PRO 58 42.065 23.236 4.445 1.00208.46 1SG 451 ATOM 451 CB PRO 58 39.973 24.053 3.584 1.00208.46 1SG 452 ATOM 452 CG PRO 58 40.944 24.238 4.748 1.00208.46 1SG 453 ATOM 453 C PRO 58 39.526 22.232 1.850 1.00208.46 1SG 454 ATOM 454 O PRO 58 40.141 21.405 1.180 1.00208.46 1SG 455 ATOM 455 N PHE 59 38.365 22.869 1.421 1.00240.02 1SG 456 ATOM 456 CA PHE 59 37.524 22.599 0.228 1.00240.02 1SG 457 ATOM 457 CB PHE 59 36.267 21.890 0.690 1.00240.02 1SG 458 ATOM 458 CG PHE 59 35.671 22.769 1.771 1.00240.02 1SG 459 ATOM 459 CD1 PHE 59 36.050 22.616 3.092 1.00240.02 1SG 460 ATOM 460 CD2 PHE 59 34.710 23.739 1.517 1.00240.02 1SG 461 ATOM 461 CE1 PHE 59 35.543 23.371 4.132 1.00240.02 1SG 462 ATOM 462 CE2 PHE 59 34.181 24.506 2.537 1.00240.02 1SG 463 ATOM 463 CZ PHE 59 34.598 24.316 3.846 1.00240.02 1SG 464 ATOM 464 C PHE 59 36.927 23.821 -0.515 1.00240.02 1SG 465 ATOM 465 O PHE 59 36.940 24.922 0.030 1.00240.02 1SG 466 ATOM 466 N SER 60 36.382 23.644 -1.785 1.00179.18 1SG 467 ATOM 467 CA SER 60 35.607 24.644 -2.554 1.00179.18 1SG 468 ATOM 468 CB SER 60 36.046 26.089 -2.305 1.00179.18 1SG 469 ATOM 469 OG SER 60 35.042 26.968 -2.780 1.00179.18 1SG 470 ATOM 470 C SER 60 35.656 24.469 -4.080 1.00179.18 1SG 471 ATOM 471 O SER 60 36.581 23.860 -4.612 1.00179.18 1SG 472 ATOM 472 N VAL 61 34.624 24.984 -4.826 1.00163.92 1SG 473 ATOM 473 CA VAL 61 34.677 25.063 -6.288 1.00163.92 1SG 474 ATOM 474 CB VAL 61 34.811 23.752 -7.005 1.00163.92 1SG 475 ATOM 475 CG1 VAL 61 33.422 23.177 -7.321 1.00163.92 1SG 476 ATOM 476 CG2 VAL 61 35.660 24.006 -8.257 1.00163.92 1SG 477 ATOM 477 C VAL 61 33.489 25.817 -6.864 1.00163.92 1SG 478 ATOM 478 O VAL 61 32.345 25.606 -6.460 1.00163.92 1SG 479 ATOM 479 N GLU 62 33.765 26.727 -7.828 1.00154.36 1SG 480 ATOM 480 CA GLU 62 32.838 27.681 -8.430 1.00154.36 1SG 481 ATOM 481 CB GLU 62 33.578 28.737 -9.254 1.00154.36 1SG 482 ATOM 482 CG GLU 62 32.637 29.740 -9.905 1.00154.36 1SG 483 ATOM 483 CD GLU 62 33.461 30.682 -10.770 1.00154.36 1SG 484 ATOM 484 OE1 GLU 62 33.906 31.729 -10.225 1.00154.36 1SG 485 ATOM 485 OE2 GLU 62 33.652 30.369 -11.978 1.00154.36 1SG 486 ATOM 486 C GLU 62 31.752 27.182 -9.357 1.00154.36 1SG 487 ATOM 487 O GLU 62 30.571 27.401 -9.077 1.00154.36 1SG 488 ATOM 488 N GLU 63 32.104 26.509 -10.481 1.00295.88 1SG 489 ATOM 489 CA GLU 63 31.151 26.138 -11.511 1.00295.88 1SG 490 ATOM 490 CB GLU 63 29.779 25.649 -11.026 1.00295.88 1SG 491 ATOM 491 CG GLU 63 28.854 25.303 -12.198 1.00295.88 1SG 492 ATOM 492 CD GLU 63 27.427 25.246 -11.687 1.00295.88 1SG 493 ATOM 493 OE1 GLU 63 27.237 25.573 -10.487 1.00295.88 1SG 494 ATOM 494 OE2 GLU 63 26.512 24.894 -12.481 1.00295.88 1SG 495 ATOM 495 C GLU 63 30.887 27.318 -12.430 1.00295.88 1SG 496 ATOM 496 O GLU 63 31.041 28.475 -12.029 1.00295.88 1SG 497 ATOM 497 N LEU 64 30.480 27.054 -13.701 1.00343.48 1SG 498 ATOM 498 CA LEU 64 30.211 28.114 -14.646 1.00343.48 1SG 499 ATOM 499 CB LEU 64 31.310 28.266 -15.725 1.00343.48 1SG 500 ATOM 500 CG LEU 64 31.050 29.396 -16.740 1.00343.48 1SG 501 ATOM 501 CD2 LEU 64 32.106 29.395 -17.862 1.00343.48 1SG 502 ATOM 502 CD1 LEU 64 30.944 30.772 -16.050 1.00343.48 1SG 503 ATOM 503 C LEU 64 28.903 27.857 -15.359 1.00343.48 1SG 504 ATOM 504 O LEU 64 28.407 26.731 -15.365 1.00343.48 1SG 505 ATOM 505 N LEU 65 28.293 28.917 -15.951 1.00365.33 1SG 506 ATOM 506 CA LEU 65 27.055 28.808 -16.694 1.00365.33 1SG 507 ATOM 507 CB LEU 65 25.843 29.434 -15.977 1.00365.33 1SG 508 ATOM 508 CG LEU 65 24.518 29.348 -16.772 1.00365.33 1SG 509 ATOM 509 CD2 LEU 65 23.459 30.323 -16.220 1.00365.33 1SG 510 ATOM 510 CD1 LEU 65 24.003 27.899 -16.848 1.00365.33 1SG 511 ATOM 511 C LEU 65 27.211 29.579 -17.980 1.00365.33 1SG 512 ATOM 512 O LEU 65 27.891 30.603 -18.017 1.00365.33 1SG 513 ATOM 513 N ALA 66 26.602 29.093 -19.087 1.00315.02 1SG 514 ATOM 514 CA ALA 66 26.664 29.841 -20.315 1.00315.02 1SG 515 ATOM 515 CB ALA 66 28.054 29.884 -20.971 1.00315.02 1SG 516 ATOM 516 C ALA 66 25.742 29.214 -21.310 1.00315.02 1SG 517 ATOM 517 O ALA 66 25.380 28.039 -21.194 1.00315.02 1SG 518 ATOM 518 N HIS 67 25.304 29.992 -22.323 1.00367.07 1SG 519 ATOM 519 CA HIS 67 24.489 29.384 -23.336 1.00367.07 1SG 520 ATOM 520 ND1 HIS 67 22.429 26.950 -24.330 1.00367.07 1SG 521 ATOM 521 CG HIS 67 22.268 28.269 -23.923 1.00367.07 1SG 522 ATOM 522 CB HIS 67 23.100 28.928 -22.850 1.00367.07 1SG 523 ATOM 523 NE2 HIS 67 20.730 27.783 -25.510 1.00367.07 1SG 524 ATOM 524 CD2 HIS 67 21.241 28.750 -24.654 1.00367.07 1SG 525 ATOM 525 CE1 HIS 67 21.480 26.719 -25.270 1.00367.07 1SG 526 ATOM 526 C HIS 67 24.273 30.316 -24.487 1.00367.07 1SG 527 ATOM 527 O HIS 67 24.219 31.539 -24.339 1.00367.07 1SG 528 ATOM 528 N GLN 68 24.161 29.711 -25.680 1.00286.87 1SG 529 ATOM 529 CA GLN 68 23.842 30.318 -26.938 1.00286.87 1SG 530 ATOM 530 CB GLN 68 25.001 31.027 -27.680 1.00286.87 1SG 531 ATOM 531 CG GLN 68 24.479 31.844 -28.872 1.00286.87 1SG 532 ATOM 532 CD GLN 68 25.623 32.332 -29.757 1.00286.87 1SG 533 ATOM 533 OE1 GLN 68 25.421 33.148 -30.656 1.00286.87 1SG 534 ATOM 534 NE2 GLN 68 26.856 31.816 -29.508 1.00286.87 1SG 535 ATOM 535 C GLN 68 23.497 29.118 -27.731 1.00286.87 1SG 536 ATOM 536 O GLN 68 22.904 28.186 -27.207 1.00286.87 1SG 537 ATOM 537 N GLU 69 23.860 29.087 -29.020 1.00250.44 1SG 538 ATOM 538 CA GLU 69 23.611 27.854 -29.691 1.00250.44 1SG 539 ATOM 539 CB GLU 69 23.612 28.078 -31.227 1.00250.44 1SG 540 ATOM 540 CG GLU 69 22.760 27.130 -32.091 1.00250.44 1SG 541 ATOM 541 CD GLU 69 21.385 27.763 -32.351 1.00250.44 1SG 542 ATOM 542 OE1 GLU 69 21.131 28.879 -31.825 1.00250.44 1SG 543 ATOM 543 OE2 GLU 69 20.574 27.136 -33.086 1.00250.44 1SG 544 ATOM 544 C GLU 69 24.798 26.986 -29.293 1.00250.44 1SG 545 ATOM 545 O GLU 69 25.503 26.490 -30.170 1.00250.44 1SG 546 ATOM 546 N LYS 70 25.021 26.763 -27.958 1.00267.25 1SG 547 ATOM 547 CA LYS 70 26.156 26.032 -27.420 1.00267.25 1SG 548 ATOM 548 CB LYS 70 27.435 26.880 -27.519 1.00267.25 1SG 549 ATOM 549 CG LYS 70 27.938 26.821 -28.974 1.00267.25 1SG 550 ATOM 550 CD LYS 70 28.706 28.023 -29.530 1.00267.25 1SG 551 ATOM 551 CE LYS 70 27.862 28.847 -30.516 1.00267.25 1SG 552 ATOM 552 NZ LYS 70 28.734 29.625 -31.426 1.00267.25 1SG 553 ATOM 553 C LYS 70 25.886 25.440 -26.025 1.00267.25 1SG 554 ATOM 554 O LYS 70 24.717 25.262 -25.687 1.00267.25 1SG 555 ATOM 555 N HIS 71 26.928 25.087 -25.191 1.00277.73 1SG 556 ATOM 556 CA HIS 71 26.669 24.266 -23.999 1.00277.73 1SG 557 ATOM 557 ND1 HIS 71 26.676 22.573 -26.893 1.00277.73 1SG 558 ATOM 558 CG HIS 71 26.142 22.468 -25.626 1.00277.73 1SG 559 ATOM 559 CB HIS 71 26.911 22.787 -24.361 1.00277.73 1SG 560 ATOM 560 NE2 HIS 71 24.553 21.966 -27.160 1.00277.73 1SG 561 ATOM 561 CD2 HIS 71 24.844 22.094 -25.809 1.00277.73 1SG 562 ATOM 562 CE1 HIS 71 25.685 22.265 -27.771 1.00277.73 1SG 563 ATOM 563 C HIS 71 27.374 24.727 -22.691 1.00277.73 1SG 564 ATOM 564 O HIS 71 28.001 25.785 -22.703 1.00277.73 1SG 565 ATOM 565 N LEU 72 27.309 23.960 -21.535 1.00251.94 1SG 566 ATOM 566 CA LEU 72 27.635 24.583 -20.227 1.00251.94 1SG 567 ATOM 567 CB LEU 72 26.343 25.198 -19.666 1.00251.94 1SG 568 ATOM 568 CG LEU 72 26.522 26.166 -18.489 1.00251.94 1SG 569 ATOM 569 CD2 LEU 72 27.995 26.589 -18.386 1.00251.94 1SG 570 ATOM 570 CD1 LEU 72 25.944 25.624 -17.175 1.00251.94 1SG 571 ATOM 571 C LEU 72 28.461 23.804 -19.145 1.00251.94 1SG 572 ATOM 572 O LEU 72 29.509 23.233 -19.440 1.00251.94 1SG 573 ATOM 573 N ALA 73 27.967 23.798 -17.858 1.00135.57 1SG 574 ATOM 574 CA ALA 73 28.455 23.518 -16.478 1.00135.57 1SG 575 ATOM 575 CB ALA 73 27.356 23.708 -15.425 1.00135.57 1SG 576 ATOM 576 C ALA 73 29.091 22.192 -16.170 1.00135.57 1SG 577 ATOM 577 O ALA 73 29.957 22.155 -15.297 1.00135.57 1SG 578 ATOM 578 N GLU 74 28.712 21.095 -16.836 1.00135.62 1SG 579 ATOM 579 CA GLU 74 29.095 19.776 -16.404 1.00135.62 1SG 580 ATOM 580 CB GLU 74 28.629 18.693 -17.408 1.00135.62 1SG 581 ATOM 581 CG GLU 74 28.533 17.269 -16.847 1.00135.62 1SG 582 ATOM 582 CD GLU 74 29.934 16.676 -16.745 1.00135.62 1SG 583 ATOM 583 OE1 GLU 74 30.545 16.419 -17.817 1.00135.62 1SG 584 ATOM 584 OE2 GLU 74 30.402 16.466 -15.595 1.00135.62 1SG 585 ATOM 585 C GLU 74 30.591 19.666 -16.219 1.00135.62 1SG 586 ATOM 586 O GLU 74 31.048 18.951 -15.330 1.00135.62 1SG 587 ATOM 587 N GLU 75 31.388 20.418 -17.000 1.00 86.51 1SG 588 ATOM 588 CA GLU 75 32.833 20.364 -17.038 1.00 86.51 1SG 589 ATOM 589 CB GLU 75 33.413 21.355 -18.070 1.00 86.51 1SG 590 ATOM 590 CG GLU 75 34.941 21.347 -18.181 1.00 86.51 1SG 591 ATOM 591 CD GLU 75 35.524 22.251 -17.105 1.00 86.51 1SG 592 ATOM 592 OE1 GLU 75 34.802 23.179 -16.650 1.00 86.51 1SG 593 ATOM 593 OE2 GLU 75 36.700 22.024 -16.720 1.00 86.51 1SG 594 ATOM 594 C GLU 75 33.505 20.626 -15.703 1.00 86.51 1SG 595 ATOM 595 O GLU 75 34.514 19.990 -15.406 1.00 86.51 1SG 596 ATOM 596 N ALA 76 33.006 21.551 -14.858 1.00 50.57 1SG 597 ATOM 597 CA ALA 76 33.694 21.852 -13.617 1.00 50.57 1SG 598 ATOM 598 CB ALA 76 32.942 22.870 -12.748 1.00 50.57 1SG 599 ATOM 599 C ALA 76 33.796 20.590 -12.831 1.00 50.57 1SG 600 ATOM 600 O ALA 76 34.821 20.309 -12.206 1.00 50.57 1SG 601 ATOM 601 N PHE 77 32.729 19.778 -12.861 1.00125.76 1SG 602 ATOM 602 CA PHE 77 32.798 18.549 -12.137 1.00125.76 1SG 603 ATOM 603 CB PHE 77 31.531 17.697 -12.266 1.00125.76 1SG 604 ATOM 604 CG PHE 77 32.000 16.370 -11.820 1.00125.76 1SG 605 ATOM 605 CD1 PHE 77 32.526 16.243 -10.562 1.00125.76 1SG 606 ATOM 606 CD2 PHE 77 31.924 15.271 -12.644 1.00125.76 1SG 607 ATOM 607 CE1 PHE 77 32.983 15.030 -10.139 1.00125.76 1SG 608 ATOM 608 CE2 PHE 77 32.376 14.047 -12.214 1.00125.76 1SG 609 ATOM 609 CZ PHE 77 32.904 13.924 -10.952 1.00125.76 1SG 610 ATOM 610 C PHE 77 33.932 17.757 -12.694 1.00125.76 1SG 611 ATOM 611 O PHE 77 34.690 17.132 -11.956 1.00125.76 1SG 612 ATOM 612 N LEU 78 34.101 17.786 -14.025 1.00 82.26 1SG 613 ATOM 613 CA LEU 78 35.151 17.006 -14.609 1.00 82.26 1SG 614 ATOM 614 CB LEU 78 35.284 17.164 -16.134 1.00 82.26 1SG 615 ATOM 615 CG LEU 78 34.115 16.567 -16.938 1.00 82.26 1SG 616 ATOM 616 CD2 LEU 78 34.442 16.513 -18.437 1.00 82.26 1SG 617 ATOM 617 CD1 LEU 78 32.802 17.295 -16.629 1.00 82.26 1SG 618 ATOM 618 C LEU 78 36.454 17.442 -14.023 1.00 82.26 1SG 619 ATOM 619 O LEU 78 37.308 16.609 -13.738 1.00 82.26 1SG 620 ATOM 620 N ARG 79 36.656 18.754 -13.805 1.00 92.08 1SG 621 ATOM 621 CA ARG 79 37.922 19.161 -13.273 1.00 92.08 1SG 622 ATOM 622 CB ARG 79 38.046 20.680 -13.069 1.00 92.08 1SG 623 ATOM 623 CG ARG 79 39.455 21.063 -12.614 1.00 92.08 1SG 624 ATOM 624 CD ARG 79 39.683 22.555 -12.384 1.00 92.08 1SG 625 ATOM 625 NE ARG 79 41.141 22.715 -12.122 1.00 92.08 1SG 626 ATOM 626 CZ ARG 79 41.719 23.950 -12.115 1.00 92.08 1SG 627 ATOM 627 NH1 ARG 79 40.956 25.071 -12.268 1.00 92.08 1SG 628 ATOM 628 NH2 ARG 79 43.072 24.056 -11.966 1.00 92.08 1SG 629 ATOM 629 C ARG 79 38.112 18.523 -11.932 1.00 92.08 1SG 630 ATOM 630 O ARG 79 39.169 17.961 -11.649 1.00 92.08 1SG 631 ATOM 631 N ALA 80 37.083 18.577 -11.067 1.00 35.67 1SG 632 ATOM 632 CA ALA 80 37.205 18.020 -9.746 1.00 35.67 1SG 633 ATOM 633 CB ALA 80 35.948 18.248 -8.889 1.00 35.67 1SG 634 ATOM 634 C ALA 80 37.412 16.541 -9.845 1.00 35.67 1SG 635 ATOM 635 O ALA 80 38.242 15.966 -9.142 1.00 35.67 1SG 636 ATOM 636 N TYR 81 36.655 15.885 -10.742 1.00 87.84 1SG 637 ATOM 637 CA TYR 81 36.699 14.457 -10.886 1.00 87.84 1SG 638 ATOM 638 CB TYR 81 35.682 13.971 -11.935 1.00 87.84 1SG 639 ATOM 639 CG TYR 81 35.751 12.487 -12.050 1.00 87.84 1SG 640 ATOM 640 CD1 TYR 81 35.076 11.686 -11.160 1.00 87.84 1SG 641 ATOM 641 CD2 TYR 81 36.483 11.895 -13.056 1.00 87.84 1SG 642 ATOM 642 CE1 TYR 81 35.128 10.317 -11.265 1.00 87.84 1SG 643 ATOM 643 CE2 TYR 81 36.538 10.525 -13.167 1.00 87.84 1SG 644 ATOM 644 CZ TYR 81 35.864 9.734 -12.273 1.00 87.84 1SG 645 ATOM 645 OH TYR 81 35.916 8.328 -12.377 1.00 87.84 1SG 646 ATOM 646 C TYR 81 38.055 14.053 -11.361 1.00 87.84 1SG 647 ATOM 647 O TYR 81 38.663 13.123 -10.836 1.00 87.84 1SG 648 ATOM 648 N ALA 82 38.579 14.778 -12.367 1.00 36.52 1SG 649 ATOM 649 CA ALA 82 39.823 14.440 -12.982 1.00 36.52 1SG 650 ATOM 650 CB ALA 82 40.207 15.403 -14.118 1.00 36.52 1SG 651 ATOM 651 C ALA 82 40.903 14.500 -11.959 1.00 36.52 1SG 652 ATOM 652 O ALA 82 41.783 13.640 -11.939 1.00 36.52 1SG 653 ATOM 653 N LYS 83 40.872 15.512 -11.070 1.00113.02 1SG 654 ATOM 654 CA LYS 83 41.962 15.584 -10.149 1.00113.02 1SG 655 ATOM 655 CB LYS 83 42.254 16.999 -9.622 1.00113.02 1SG 656 ATOM 656 CG LYS 83 42.936 17.902 -10.651 1.00113.02 1SG 657 ATOM 657 CD LYS 83 43.028 19.364 -10.214 1.00113.02 1SG 658 ATOM 658 CE LYS 83 43.842 20.238 -11.169 1.00113.02 1SG 659 ATOM 659 NZ LYS 83 43.867 21.634 -10.680 1.00113.02 1SG 660 ATOM 660 C LYS 83 41.693 14.709 -8.971 1.00113.02 1SG 661 ATOM 661 O LYS 83 41.725 15.166 -7.829 1.00113.02 1SG 662 ATOM 662 N ASP 84 41.444 13.414 -9.241 1.00 99.62 1SG 663 ATOM 663 CA ASP 84 41.308 12.401 -8.235 1.00 99.62 1SG 664 ATOM 664 CB ASP 84 42.662 11.974 -7.633 1.00 99.62 1SG 665 ATOM 665 CG ASP 84 42.459 10.729 -6.778 1.00 99.62 1SG 666 ATOM 666 OD1 ASP 84 41.283 10.309 -6.608 1.00 99.62 1SG 667 ATOM 667 OD2 ASP 84 43.481 10.184 -6.282 1.00 99.62 1SG 668 ATOM 668 C ASP 84 40.419 12.865 -7.129 1.00 99.62 1SG 669 ATOM 669 O ASP 84 40.746 12.706 -5.954 1.00 99.62 1SG 670 ATOM 670 N GLU 85 39.261 13.452 -7.463 1.00104.86 1SG 671 ATOM 671 CA GLU 85 38.408 13.870 -6.398 1.00104.86 1SG 672 ATOM 672 CB GLU 85 38.114 15.376 -6.439 1.00104.86 1SG 673 ATOM 673 CG GLU 85 37.502 15.928 -5.156 1.00104.86 1SG 674 ATOM 674 CD GLU 85 37.688 17.432 -5.188 1.00104.86 1SG 675 ATOM 675 OE1 GLU 85 36.776 18.129 -5.718 1.00104.86 1SG 676 ATOM 676 OE2 GLU 85 38.742 17.907 -4.697 1.00104.86 1SG 677 ATOM 677 C GLU 85 37.132 13.119 -6.572 1.00104.86 1SG 678 ATOM 678 O GLU 85 36.684 12.880 -7.691 1.00104.86 1SG 679 ATOM 679 N PRO 86 36.556 12.695 -5.488 1.00148.46 1SG 680 ATOM 680 CA PRO 86 35.319 11.977 -5.611 1.00148.46 1SG 681 ATOM 681 CD PRO 86 37.368 12.190 -4.392 1.00148.46 1SG 682 ATOM 682 CB PRO 86 35.170 11.164 -4.327 1.00148.46 1SG 683 ATOM 683 CG PRO 86 36.622 10.956 -3.861 1.00148.46 1SG 684 ATOM 684 C PRO 86 34.199 12.926 -5.860 1.00148.46 1SG 685 ATOM 685 O PRO 86 34.308 14.088 -5.470 1.00148.46 1SG 686 ATOM 686 N LEU 87 33.120 12.464 -6.518 1.00 64.11 1SG 687 ATOM 687 CA LEU 87 32.014 13.340 -6.762 1.00 64.11 1SG 688 ATOM 688 CB LEU 87 31.566 13.356 -8.216 1.00 64.11 1SG 689 ATOM 689 CG LEU 87 30.480 14.404 -8.501 1.00 64.11 1SG 690 ATOM 690 CD2 LEU 87 30.034 14.335 -9.969 1.00 64.11 1SG 691 ATOM 691 CD1 LEU 87 30.960 15.812 -8.106 1.00 64.11 1SG 692 ATOM 692 C LEU 87 30.856 12.761 -6.032 1.00 64.11 1SG 693 ATOM 693 O LEU 87 30.328 11.726 -6.438 1.00 64.11 1SG 694 ATOM 694 N TYR 88 30.437 13.382 -4.919 1.00130.85 1SG 695 ATOM 695 CA TYR 88 29.296 12.813 -4.275 1.00130.85 1SG 696 ATOM 696 CB TYR 88 29.008 13.414 -2.886 1.00130.85 1SG 697 ATOM 697 CG TYR 88 28.178 12.423 -2.134 1.00130.85 1SG 698 ATOM 698 CD1 TYR 88 28.799 11.374 -1.494 1.00130.85 1SG 699 ATOM 699 CD2 TYR 88 26.808 12.525 -2.055 1.00130.85 1SG 700 ATOM 700 CE1 TYR 88 28.077 10.439 -0.790 1.00130.85 1SG 701 ATOM 701 CE2 TYR 88 26.079 11.592 -1.350 1.00130.85 1SG 702 ATOM 702 CZ TYR 88 26.710 10.547 -0.718 1.00130.85 1SG 703 ATOM 703 OH TYR 88 25.964 9.591 0.004 1.00130.85 1SG 704 ATOM 704 C TYR 88 28.131 13.088 -5.176 1.00130.85 1SG 705 ATOM 705 O TYR 88 27.343 12.192 -5.476 1.00130.85 1SG 706 ATOM 706 N ALA 89 28.013 14.345 -5.662 1.00 33.99 1SG 707 ATOM 707 CA ALA 89 26.920 14.687 -6.529 1.00 33.99 1SG 708 ATOM 708 CB ALA 89 25.875 15.606 -5.872 1.00 33.99 1SG 709 ATOM 709 C ALA 89 27.466 15.412 -7.723 1.00 33.99 1SG 710 ATOM 710 O ALA 89 28.314 16.294 -7.602 1.00 33.99 1SG 711 ATOM 711 N TRP 90 26.948 15.064 -8.918 1.00 98.16 1SG 712 ATOM 712 CA TRP 90 27.385 15.610 -10.174 1.00 98.16 1SG 713 ATOM 713 CB TRP 90 26.960 14.711 -11.349 1.00 98.16 1SG 714 ATOM 714 CG TRP 90 27.584 13.330 -11.313 1.00 98.16 1SG 715 ATOM 715 CD2 TRP 90 27.184 12.303 -10.391 1.00 98.16 1SG 716 ATOM 716 CD1 TRP 90 28.608 12.806 -12.050 1.00 98.16 1SG 717 ATOM 717 NE1 TRP 90 28.865 11.515 -11.648 1.00 98.16 1SG 718 ATOM 718 CE2 TRP 90 27.994 11.192 -10.629 1.00 98.16 1SG 719 ATOM 719 CE3 TRP 90 26.219 12.285 -9.424 1.00 98.16 1SG 720 ATOM 720 CZ2 TRP 90 27.853 10.045 -9.898 1.00 98.16 1SG 721 ATOM 721 CZ3 TRP 90 26.076 11.126 -8.693 1.00 98.16 1SG 722 ATOM 722 CH2 TRP 90 26.877 10.027 -8.926 1.00 98.16 1SG 723 ATOM 723 C TRP 90 26.755 16.962 -10.334 1.00 98.16 1SG 724 ATOM 724 O TRP 90 25.729 17.245 -9.719 1.00 98.16 1SG 725 ATOM 725 N VAL 91 27.368 17.849 -11.150 1.00 56.33 1SG 726 ATOM 726 CA VAL 91 26.834 19.175 -11.303 1.00 56.33 1SG 727 ATOM 727 CB VAL 91 27.589 20.006 -12.303 1.00 56.33 1SG 728 ATOM 728 CG1 VAL 91 26.943 21.402 -12.385 1.00 56.33 1SG 729 ATOM 729 CG2 VAL 91 29.077 20.027 -11.893 1.00 56.33 1SG 730 ATOM 730 C VAL 91 25.434 19.019 -11.789 1.00 56.33 1SG 731 ATOM 731 O VAL 91 25.198 18.487 -12.867 1.00 56.33 1SG 732 ATOM 732 N LEU 92 24.472 19.498 -10.981 1.00141.35 1SG 733 ATOM 733 CA LEU 92 23.101 19.331 -11.345 1.00141.35 1SG 734 ATOM 734 CB LEU 92 22.602 17.895 -11.108 1.00141.35 1SG 735 ATOM 735 CG LEU 92 21.126 17.670 -11.472 1.00141.35 1SG 736 ATOM 736 CD2 LEU 92 20.630 16.303 -10.967 1.00141.35 1SG 737 ATOM 737 CD1 LEU 92 20.884 17.882 -12.973 1.00141.35 1SG 738 ATOM 738 C LEU 92 22.293 20.231 -10.480 1.00141.35 1SG 739 ATOM 739 O LEU 92 22.772 20.757 -9.480 1.00141.35 1SG 740 ATOM 740 N GLU 93 21.022 20.433 -10.868 1.00111.93 1SG 741 ATOM 741 CA GLU 93 20.157 21.228 -10.060 1.00111.93 1SG 742 ATOM 742 CB GLU 93 18.803 21.544 -10.729 1.00111.93 1SG 743 ATOM 743 CG GLU 93 17.977 20.296 -11.059 1.00111.93 1SG 744 ATOM 744 CD GLU 93 18.564 19.659 -12.311 1.00111.93 1SG 745 ATOM 745 OE1 GLU 93 19.410 20.321 -12.969 1.00111.93 1SG 746 ATOM 746 OE2 GLU 93 18.169 18.506 -12.627 1.00111.93 1SG 747 ATOM 747 C GLU 93 19.870 20.439 -8.827 1.00111.93 1SG 748 ATOM 748 O GLU 93 19.825 19.210 -8.856 1.00111.93 1SG 749 ATOM 749 N ASN 94 19.697 21.139 -7.693 1.00 85.96 1SG 750 ATOM 750 CA ASN 94 19.375 20.453 -6.475 1.00 85.96 1SG 751 ATOM 751 CB ASN 94 19.489 21.325 -5.215 1.00 85.96 1SG 752 ATOM 752 CG ASN 94 19.185 20.447 -4.008 1.00 85.96 1SG 753 ATOM 753 OD1 ASN 94 18.560 20.891 -3.044 1.00 85.96 1SG 754 ATOM 754 ND2 ASN 94 19.642 19.167 -4.055 1.00 85.96 1SG 755 ATOM 755 C ASN 94 17.952 20.018 -6.602 1.00 85.96 1SG 756 ATOM 756 O ASN 94 17.188 20.575 -7.389 1.00 85.96 1SG 757 ATOM 757 N ALA 95 17.557 18.989 -5.831 1.00 60.66 1SG 758 ATOM 758 CA ALA 95 16.214 18.506 -5.950 1.00 60.66 1SG 759 ATOM 759 CB ALA 95 15.921 17.272 -5.080 1.00 60.66 1SG 760 ATOM 760 C ALA 95 15.283 19.595 -5.530 1.00 60.66 1SG 761 ATOM 761 O ALA 95 15.544 20.330 -4.579 1.00 60.66 1SG 762 ATOM 762 N PHE 96 14.162 19.720 -6.264 1.00245.17 1SG 763 ATOM 763 CA PHE 96 13.142 20.683 -5.972 1.00245.17 1SG 764 ATOM 764 CB PHE 96 12.534 20.465 -4.569 1.00245.17 1SG 765 ATOM 765 CG PHE 96 11.317 21.313 -4.396 1.00245.17 1SG 766 ATOM 766 CD1 PHE 96 10.142 20.982 -5.034 1.00245.17 1SG 767 ATOM 767 CD2 PHE 96 11.333 22.415 -3.571 1.00245.17 1SG 768 ATOM 768 CE1 PHE 96 9.013 21.751 -4.873 1.00245.17 1SG 769 ATOM 769 CE2 PHE 96 10.207 23.188 -3.406 1.00245.17 1SG 770 ATOM 770 CZ PHE 96 9.045 22.859 -4.062 1.00245.17 1SG 771 ATOM 771 C PHE 96 13.739 22.054 -6.061 1.00245.17 1SG 772 ATOM 772 O PHE 96 13.229 22.999 -5.462 1.00245.17 1SG 773 ATOM 773 N ARG 97 14.831 22.210 -6.838 1.00162.76 1SG 774 ATOM 774 CA ARG 97 15.415 23.517 -6.964 1.00162.76 1SG 775 ATOM 775 CB ARG 97 16.489 23.827 -5.910 1.00162.76 1SG 776 ATOM 776 CG ARG 97 16.960 25.281 -5.967 1.00162.76 1SG 777 ATOM 777 CD ARG 97 18.023 25.633 -4.927 1.00162.76 1SG 778 ATOM 778 NE ARG 97 18.361 27.070 -5.123 1.00162.76 1SG 779 ATOM 779 CZ ARG 97 18.668 27.850 -4.045 1.00162.76 1SG 780 ATOM 780 NH1 ARG 97 18.661 27.313 -2.791 1.00162.76 1SG 781 ATOM 781 NH2 ARG 97 18.969 29.169 -4.224 1.00162.76 1SG 782 ATOM 782 C ARG 97 16.068 23.604 -8.307 1.00162.76 1SG 783 ATOM 783 O ARG 97 16.175 22.602 -9.013 1.00162.76 1SG 784 ATOM 784 N TYR 98 16.484 24.823 -8.719 1.00207.16 1SG 785 ATOM 785 CA TYR 98 17.127 24.953 -9.996 1.00207.16 1SG 786 ATOM 786 CB TYR 98 16.352 25.945 -10.892 1.00207.16 1SG 787 ATOM 787 CG TYR 98 16.957 26.032 -12.253 1.00207.16 1SG 788 ATOM 788 CD1 TYR 98 16.791 25.013 -13.163 1.00207.16 1SG 789 ATOM 789 CD2 TYR 98 17.674 27.147 -12.625 1.00207.16 1SG 790 ATOM 790 CE1 TYR 98 17.345 25.101 -14.418 1.00207.16 1SG 791 ATOM 791 CE2 TYR 98 18.230 27.242 -13.879 1.00207.16 1SG 792 ATOM 792 CZ TYR 98 18.062 26.216 -14.778 1.00207.16 1SG 793 ATOM 793 OH TYR 98 18.627 26.305 -16.067 1.00207.16 1SG 794 ATOM 794 C TYR 98 18.530 25.458 -9.774 1.00207.16 1SG 795 ATOM 795 O TYR 98 19.203 25.905 -10.702 1.00207.16 1SG 796 ATOM 796 N GLU 99 19.045 25.349 -8.537 1.00 96.95 1SG 797 ATOM 797 CA GLU 99 20.383 25.796 -8.270 1.00 96.95 1SG 798 ATOM 798 CB GLU 99 20.668 25.910 -6.768 1.00 96.95 1SG 799 ATOM 799 CG GLU 99 22.055 26.441 -6.420 1.00 96.95 1SG 800 ATOM 800 CD GLU 99 22.134 26.465 -4.905 1.00 96.95 1SG 801 ATOM 801 OE1 GLU 99 22.551 25.424 -4.327 1.00 96.95 1SG 802 ATOM 802 OE2 GLU 99 21.794 27.520 -4.307 1.00 96.95 1SG 803 ATOM 803 C GLU 99 21.283 24.749 -8.825 1.00 96.95 1SG 804 ATOM 804 O GLU 99 20.907 23.580 -8.874 1.00 96.95 1SG 805 ATOM 805 N LYS 100 22.495 25.123 -9.280 1.00106.15 1SG 806 ATOM 806 CA LYS 100 23.323 24.075 -9.807 1.00106.15 1SG 807 ATOM 807 CB LYS 100 23.819 24.349 -11.237 1.00106.15 1SG 808 ATOM 808 CG LYS 100 24.349 23.118 -11.960 1.00106.15 1SG 809 ATOM 809 CD LYS 100 24.388 23.273 -13.482 1.00106.15 1SG 810 ATOM 810 CE LYS 100 24.720 21.985 -14.255 1.00106.15 1SG 811 ATOM 811 NZ LYS 100 24.425 22.177 -15.694 1.00106.15 1SG 812 ATOM 812 C LYS 100 24.493 23.919 -8.904 1.00106.15 1SG 813 ATOM 813 O LYS 100 25.446 24.696 -8.934 1.00106.15 1SG 814 ATOM 814 N PRO 101 24.387 22.964 -8.031 1.00118.28 1SG 815 ATOM 815 CA PRO 101 25.509 22.693 -7.177 1.00118.28 1SG 816 ATOM 816 CD PRO 101 23.133 22.836 -7.304 1.00118.28 1SG 817 ATOM 817 CB PRO 101 24.951 22.491 -5.767 1.00118.28 1SG 818 ATOM 818 CG PRO 101 23.486 22.102 -6.000 1.00118.28 1SG 819 ATOM 819 C PRO 101 26.270 21.501 -7.651 1.00118.28 1SG 820 ATOM 820 O PRO 101 25.814 20.827 -8.571 1.00118.28 1SG 821 ATOM 821 N LEU 102 27.438 21.252 -7.034 1.00149.33 1SG 822 ATOM 822 CA LEU 102 28.201 20.068 -7.275 1.00149.33 1SG 823 ATOM 823 CB LEU 102 29.444 20.319 -8.158 1.00149.33 1SG 824 ATOM 824 CG LEU 102 30.274 19.051 -8.422 1.00149.33 1SG 825 ATOM 825 CD2 LEU 102 31.687 19.396 -8.925 1.00149.33 1SG 826 ATOM 826 CD1 LEU 102 29.519 18.075 -9.344 1.00149.33 1SG 827 ATOM 827 C LEU 102 28.697 19.684 -5.912 1.00149.33 1SG 828 ATOM 828 O LEU 102 28.977 20.557 -5.092 1.00149.33 1SG 829 ATOM 829 N HIS 103 28.777 18.376 -5.600 1.00 80.64 1SG 830 ATOM 830 CA HIS 103 29.297 17.994 -4.317 1.00 80.64 1SG 831 ATOM 831 ND1 HIS 103 26.117 18.460 -3.183 1.00 80.64 1SG 832 ATOM 832 CG HIS 103 27.307 18.005 -2.661 1.00 80.64 1SG 833 ATOM 833 CB HIS 103 28.324 17.201 -3.421 1.00 80.64 1SG 834 ATOM 834 NE2 HIS 103 26.161 19.102 -1.052 1.00 80.64 1SG 835 ATOM 835 CD2 HIS 103 27.318 18.406 -1.358 1.00 80.64 1SG 836 ATOM 836 CE1 HIS 103 25.471 19.109 -2.179 1.00 80.64 1SG 837 ATOM 837 C HIS 103 30.433 17.061 -4.557 1.00 80.64 1SG 838 ATOM 838 O HIS 103 30.360 16.183 -5.416 1.00 80.64 1SG 839 ATOM 839 N VAL 104 31.537 17.240 -3.811 1.00114.86 1SG 840 ATOM 840 CA VAL 104 32.609 16.310 -3.986 1.00114.86 1SG 841 ATOM 841 CB VAL 104 33.705 16.751 -4.908 1.00114.86 1SG 842 ATOM 842 CG1 VAL 104 33.097 17.094 -6.282 1.00114.86 1SG 843 ATOM 843 CG2 VAL 104 34.464 17.891 -4.214 1.00114.86 1SG 844 ATOM 844 C VAL 104 33.273 16.169 -2.662 1.00114.86 1SG 845 ATOM 845 O VAL 104 33.154 17.020 -1.793 1.00114.86 1SG 846 ATOM 846 N PRO 105 33.950 15.086 -2.468 1.00133.01 1SG 847 ATOM 847 CA PRO 105 34.703 14.988 -1.259 1.00133.01 1SG 848 ATOM 848 CD PRO 105 33.354 13.813 -2.826 1.00133.01 1SG 849 ATOM 849 CB PRO 105 34.873 13.508 -0.966 1.00133.01 1SG 850 ATOM 850 CG PRO 105 33.655 12.872 -1.652 1.00133.01 1SG 851 ATOM 851 C PRO 105 36.006 15.657 -1.460 1.00133.01 1SG 852 ATOM 852 O PRO 105 36.483 15.707 -2.597 1.00133.01 1SG 853 ATOM 853 N ARG 106 36.606 16.159 -0.376 1.00110.02 1SG 854 ATOM 854 CA ARG 106 37.916 16.697 -0.489 1.00110.02 1SG 855 ATOM 855 CB ARG 106 38.273 17.806 0.511 1.00110.02 1SG 856 ATOM 856 CG ARG 106 38.239 17.405 1.985 1.00110.02 1SG 857 ATOM 857 CD ARG 106 38.703 18.535 2.908 1.00110.02 1SG 858 ATOM 858 NE ARG 106 38.754 18.007 4.302 1.00110.02 1SG 859 ATOM 859 CZ ARG 106 37.796 18.341 5.208 1.00110.02 1SG 860 ATOM 860 NH1 ARG 106 36.780 19.185 4.860 1.00110.02 1SG 861 ATOM 861 NH2 ARG 106 37.889 17.870 6.484 1.00110.02 1SG 862 ATOM 862 C ARG 106 38.765 15.500 -0.220 1.00110.02 1SG 863 ATOM 863 O ARG 106 38.262 14.380 -0.215 1.00110.02 1SG 864 ATOM 864 N ARG 107 40.089 15.660 -0.041 1.00140.76 1SG 865 ATOM 865 CA ARG 107 40.898 14.505 0.187 1.00140.76 1SG 866 ATOM 866 CB ARG 107 42.369 14.859 0.415 1.00140.76 1SG 867 ATOM 867 CG ARG 107 42.721 16.241 -0.152 1.00140.76 1SG 868 ATOM 868 CD ARG 107 42.196 17.409 0.699 1.00140.76 1SG 869 ATOM 869 NE ARG 107 42.353 18.676 -0.059 1.00140.76 1SG 870 ATOM 870 CZ ARG 107 41.511 19.092 -1.036 1.00140.76 1SG 871 ATOM 871 NH1 ARG 107 40.368 18.412 -1.339 1.00140.76 1SG 872 ATOM 872 NH2 ARG 107 41.790 20.220 -1.729 1.00140.76 1SG 873 ATOM 873 C ARG 107 40.373 13.885 1.449 1.00140.76 1SG 874 ATOM 874 O ARG 107 40.151 12.676 1.480 1.00140.76 1SG 875 ATOM 875 N PRO 108 40.126 14.636 2.502 1.00101.63 1SG 876 ATOM 876 CA PRO 108 39.511 14.052 3.654 1.00101.63 1SG 877 ATOM 877 CD PRO 108 40.925 15.790 2.874 1.00101.63 1SG 878 ATOM 878 CB PRO 108 39.627 15.081 4.767 1.00101.63 1SG 879 ATOM 879 CG PRO 108 40.873 15.870 4.393 1.00101.63 1SG 880 ATOM 880 C PRO 108 38.119 13.744 3.248 1.00101.63 1SG 881 ATOM 881 O PRO 108 37.534 12.794 3.771 1.00101.63 1SG 882 ATOM 882 N GLY 109 37.586 14.557 2.310 1.00 75.10 1SG 883 ATOM 883 CA GLY 109 36.289 14.334 1.758 1.00 75.10 1SG 884 ATOM 884 C GLY 109 35.283 15.174 2.460 1.00 75.10 1SG 885 ATOM 885 O GLY 109 35.340 15.344 3.680 1.00 75.10 1SG 886 ATOM 886 N ARG 110 34.354 15.723 1.649 1.00145.61 1SG 887 ATOM 887 CA ARG 110 33.194 16.466 2.047 1.00145.61 1SG 888 ATOM 888 CB ARG 110 32.873 16.491 3.552 1.00145.61 1SG 889 ATOM 889 CG ARG 110 32.639 15.090 4.112 1.00145.61 1SG 890 ATOM 890 CD ARG 110 31.675 14.244 3.278 1.00145.61 1SG 891 ATOM 891 NE ARG 110 31.710 12.892 3.890 1.00145.61 1SG 892 ATOM 892 CZ ARG 110 31.684 11.778 3.106 1.00145.61 1SG 893 ATOM 893 NH1 ARG 110 31.560 11.892 1.751 1.00145.61 1SG 894 ATOM 894 NH2 ARG 110 31.795 10.550 3.689 1.00145.61 1SG 895 ATOM 895 C ARG 110 33.360 17.874 1.621 1.00145.61 1SG 896 ATOM 896 O ARG 110 34.391 18.506 1.856 1.00145.61 1SG 897 ATOM 897 N VAL 111 32.338 18.384 0.922 1.00113.87 1SG 898 ATOM 898 CA VAL 111 32.320 19.765 0.574 1.00113.87 1SG 899 ATOM 899 CB VAL 111 33.551 20.284 -0.117 1.00113.87 1SG 900 ATOM 900 CG1 VAL 111 33.712 19.663 -1.506 1.00113.87 1SG 901 ATOM 901 CG2 VAL 111 33.383 21.800 -0.248 1.00113.87 1SG 902 ATOM 902 C VAL 111 31.180 19.964 -0.352 1.00113.87 1SG 903 ATOM 903 O VAL 111 30.751 19.031 -1.028 1.00113.87 1SG 904 ATOM 904 N MET 112 30.654 21.197 -0.409 1.00 63.02 1SG 905 ATOM 905 CA MET 112 29.581 21.481 -1.299 1.00 63.02 1SG 906 ATOM 906 CB MET 112 28.321 22.023 -0.593 1.00 63.02 1SG 907 ATOM 907 CG MET 112 27.092 22.136 -1.497 1.00 63.02 1SG 908 ATOM 908 SD MET 112 25.545 22.463 -0.603 1.00 63.02 1SG 909 ATOM 909 CE MET 112 24.491 22.427 -2.081 1.00 63.02 1SG 910 ATOM 910 C MET 112 30.071 22.518 -2.238 1.00 63.02 1SG 911 ATOM 911 O MET 112 30.999 23.264 -1.927 1.00 63.02 1SG 912 ATOM 912 N PHE 113 29.488 22.553 -3.446 1.00115.68 1SG 913 ATOM 913 CA PHE 113 29.862 23.587 -4.356 1.00115.68 1SG 914 ATOM 914 CB PHE 113 30.524 23.086 -5.629 1.00115.68 1SG 915 ATOM 915 CG PHE 113 31.662 22.287 -5.136 1.00115.68 1SG 916 ATOM 916 CD1 PHE 113 32.720 22.881 -4.485 1.00115.68 1SG 917 ATOM 917 CD2 PHE 113 31.678 20.925 -5.349 1.00115.68 1SG 918 ATOM 918 CE1 PHE 113 33.780 22.143 -4.033 1.00115.68 1SG 919 ATOM 919 CE2 PHE 113 32.748 20.185 -4.893 1.00115.68 1SG 920 ATOM 920 CZ PHE 113 33.787 20.780 -4.235 1.00115.68 1SG 921 ATOM 921 C PHE 113 28.590 24.204 -4.777 1.00115.68 1SG 922 ATOM 922 O PHE 113 27.585 23.521 -4.951 1.00115.68 1SG 923 ATOM 923 N VAL 114 28.584 25.527 -4.926 1.00125.47 1SG 924 ATOM 924 CA VAL 114 27.344 26.066 -5.346 1.00125.47 1SG 925 ATOM 925 CB VAL 114 26.419 26.415 -4.216 1.00125.47 1SG 926 ATOM 926 CG1 VAL 114 27.030 27.550 -3.377 1.00125.47 1SG 927 ATOM 927 CG2 VAL 114 25.058 26.770 -4.821 1.00125.47 1SG 928 ATOM 928 C VAL 114 27.620 27.313 -6.097 1.00125.47 1SG 929 ATOM 929 O VAL 114 28.647 27.968 -5.902 1.00125.47 1SG 930 ATOM 930 N ASP 115 26.706 27.635 -7.028 1.00 79.36 1SG 931 ATOM 931 CA ASP 115 26.786 28.905 -7.675 1.00 79.36 1SG 932 ATOM 932 CB ASP 115 26.037 28.998 -9.013 1.00 79.36 1SG 933 ATOM 933 CG ASP 115 26.873 28.263 -10.049 1.00 79.36 1SG 934 ATOM 934 OD1 ASP 115 28.018 27.869 -9.704 1.00 79.36 1SG 935 ATOM 935 OD2 ASP 115 26.390 28.102 -11.200 1.00 79.36 1SG 936 ATOM 936 C ASP 115 26.143 29.846 -6.708 1.00 79.36 1SG 937 ATOM 937 O ASP 115 25.283 29.433 -5.931 1.00 79.36 1SG 938 ATOM 938 N LEU 116 26.542 31.134 -6.714 1.00143.34 1SG 939 ATOM 939 CA LEU 116 26.008 32.020 -5.717 1.00143.34 1SG 940 ATOM 940 CB LEU 116 27.050 32.642 -4.767 1.00143.34 1SG 941 ATOM 941 CG LEU 116 27.608 31.656 -3.715 1.00143.34 1SG 942 ATOM 942 CD2 LEU 116 28.340 32.403 -2.586 1.00143.34 1SG 943 ATOM 943 CD1 LEU 116 28.456 30.552 -4.356 1.00143.34 1SG 944 ATOM 944 C LEU 116 25.161 33.121 -6.300 1.00143.34 1SG 945 ATOM 945 O LEU 116 24.954 33.218 -7.509 1.00143.34 1SG 946 ATOM 946 N SER 117 24.642 33.970 -5.382 1.00191.69 1SG 947 ATOM 947 CA SER 117 23.663 35.008 -5.591 1.00191.69 1SG 948 ATOM 948 CB SER 117 23.380 35.807 -4.299 1.00191.69 1SG 949 ATOM 949 OG SER 117 22.406 36.818 -4.531 1.00191.69 1SG 950 ATOM 950 C SER 117 23.992 36.003 -6.664 1.00191.69 1SG 951 ATOM 951 O SER 117 23.602 35.790 -7.810 1.00191.69 1SG 952 ATOM 952 N GLU 118 24.743 37.082 -6.314 1.00 64.39 1SG 953 ATOM 953 CA GLU 118 25.019 38.252 -7.129 1.00 64.39 1SG 954 ATOM 954 CB GLU 118 26.437 38.844 -6.989 1.00 64.39 1SG 955 ATOM 955 CG GLU 118 26.624 39.779 -5.788 1.00 64.39 1SG 956 ATOM 956 CD GLU 118 27.885 40.602 -6.044 1.00 64.39 1SG 957 ATOM 957 OE1 GLU 118 28.898 40.008 -6.497 1.00 64.39 1SG 958 ATOM 958 OE2 GLU 118 27.850 41.840 -5.805 1.00 64.39 1SG 959 ATOM 959 C GLU 118 24.742 38.118 -8.624 1.00 64.39 1SG 960 ATOM 960 O GLU 118 25.718 38.122 -9.420 1.00 64.39 1SG 961 ATOM 961 OXT GLU 118 23.538 38.035 -8.995 1.00 64.39 1SG 962 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.762 REMARK SCORE 0.762 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 3 PARENT 1C2N ATOM 1 N ASP 20 -14.116 12.660 -4.656 1.00 22.87 1SG 2 ATOM 2 CA ASP 20 -14.786 13.748 -3.905 1.00 22.87 1SG 3 ATOM 3 CB ASP 20 -16.280 13.434 -3.701 1.00 22.87 1SG 4 ATOM 4 CG ASP 20 -16.438 12.225 -2.787 1.00 22.87 1SG 5 ATOM 5 OD1 ASP 20 -15.504 11.382 -2.728 1.00 22.87 1SG 6 ATOM 6 OD2 ASP 20 -17.511 12.131 -2.135 1.00 22.87 1SG 7 ATOM 7 C ASP 20 -14.151 13.920 -2.567 1.00 22.87 1SG 8 ATOM 8 O ASP 20 -14.382 14.914 -1.880 1.00 22.87 1SG 9 ATOM 9 N GLY 21 -13.307 12.950 -2.172 1.00 7.94 1SG 10 ATOM 10 CA GLY 21 -12.643 13.050 -0.908 1.00 7.94 1SG 11 ATOM 11 C GLY 21 -13.516 12.423 0.128 1.00 7.94 1SG 12 ATOM 12 O GLY 21 -13.216 12.474 1.319 1.00 7.94 1SG 13 ATOM 13 N ARG 22 -14.631 11.807 -0.300 1.00 79.18 1SG 14 ATOM 14 CA ARG 22 -15.487 11.180 0.659 1.00 79.18 1SG 15 ATOM 15 CB ARG 22 -16.811 10.659 0.073 1.00 79.18 1SG 16 ATOM 16 CG ARG 22 -17.708 9.989 1.116 1.00 79.18 1SG 17 ATOM 17 CD ARG 22 -19.030 9.468 0.548 1.00 79.18 1SG 18 ATOM 18 NE ARG 22 -19.786 8.848 1.673 1.00 79.18 1SG 19 ATOM 19 CZ ARG 22 -21.103 8.528 1.513 1.00 79.18 1SG 20 ATOM 20 NH1 ARG 22 -21.723 8.777 0.323 1.00 79.18 1SG 21 ATOM 21 NH2 ARG 22 -21.799 7.963 2.542 1.00 79.18 1SG 22 ATOM 22 C ARG 22 -14.740 10.006 1.187 1.00 79.18 1SG 23 ATOM 23 O ARG 22 -13.988 9.355 0.461 1.00 79.18 1SG 24 ATOM 24 N LYS 23 -14.912 9.716 2.489 1.00 37.35 1SG 25 ATOM 25 CA LYS 23 -14.205 8.610 3.051 1.00 37.35 1SG 26 ATOM 26 CB LYS 23 -13.958 8.768 4.559 1.00 37.35 1SG 27 ATOM 27 CG LYS 23 -13.096 9.983 4.906 1.00 37.35 1SG 28 ATOM 28 CD LYS 23 -13.179 10.389 6.379 1.00 37.35 1SG 29 ATOM 29 CE LYS 23 -12.321 11.607 6.728 1.00 37.35 1SG 30 ATOM 30 NZ LYS 23 -12.653 12.089 8.087 1.00 37.35 1SG 31 ATOM 31 C LYS 23 -15.077 7.416 2.873 1.00 37.35 1SG 32 ATOM 32 O LYS 23 -15.944 7.139 3.701 1.00 37.35 1SG 33 ATOM 33 N VAL 24 -14.871 6.675 1.770 1.00 76.86 1SG 34 ATOM 34 CA VAL 24 -15.667 5.506 1.560 1.00 76.86 1SG 35 ATOM 35 CB VAL 24 -15.424 4.848 0.229 1.00 76.86 1SG 36 ATOM 36 CG1 VAL 24 -13.950 4.421 0.122 1.00 76.86 1SG 37 ATOM 37 CG2 VAL 24 -16.419 3.684 0.084 1.00 76.86 1SG 38 ATOM 38 C VAL 24 -15.330 4.547 2.651 1.00 76.86 1SG 39 ATOM 39 O VAL 24 -16.212 3.946 3.262 1.00 76.86 1SG 40 ATOM 40 N TRP 25 -14.024 4.403 2.943 1.00 80.78 1SG 41 ATOM 41 CA TRP 25 -13.631 3.495 3.973 1.00 80.78 1SG 42 ATOM 42 CB TRP 25 -12.462 2.587 3.554 1.00 80.78 1SG 43 ATOM 43 CG TRP 25 -12.023 1.609 4.614 1.00 80.78 1SG 44 ATOM 44 CD2 TRP 25 -12.595 0.305 4.782 1.00 80.78 1SG 45 ATOM 45 CD1 TRP 25 -11.056 1.734 5.569 1.00 80.78 1SG 46 ATOM 46 NE1 TRP 25 -10.990 0.585 6.321 1.00 80.78 1SG 47 ATOM 47 CE2 TRP 25 -11.932 -0.303 5.847 1.00 80.78 1SG 48 ATOM 48 CE3 TRP 25 -13.593 -0.336 4.102 1.00 80.78 1SG 49 ATOM 49 CZ2 TRP 25 -12.258 -1.566 6.251 1.00 80.78 1SG 50 ATOM 50 CZ3 TRP 25 -13.919 -1.609 4.513 1.00 80.78 1SG 51 ATOM 51 CH2 TRP 25 -13.264 -2.212 5.566 1.00 80.78 1SG 52 ATOM 52 C TRP 25 -13.164 4.328 5.116 1.00 80.78 1SG 53 ATOM 53 O TRP 25 -12.221 5.108 4.988 1.00 80.78 1SG 54 ATOM 54 N GLU 26 -13.823 4.191 6.280 1.00 30.36 1SG 55 ATOM 55 CA GLU 26 -13.377 4.965 7.394 1.00 30.36 1SG 56 ATOM 56 CB GLU 26 -14.490 5.320 8.395 1.00 30.36 1SG 57 ATOM 57 CG GLU 26 -15.535 6.286 7.833 1.00 30.36 1SG 58 ATOM 58 CD GLU 26 -16.564 6.550 8.924 1.00 30.36 1SG 59 ATOM 59 OE1 GLU 26 -16.432 5.946 10.021 1.00 30.36 1SG 60 ATOM 60 OE2 GLU 26 -17.496 7.360 8.673 1.00 30.36 1SG 61 ATOM 61 C GLU 26 -12.386 4.120 8.114 1.00 30.36 1SG 62 ATOM 62 O GLU 26 -12.743 3.147 8.777 1.00 30.36 1SG 63 ATOM 63 N ILE 27 -11.096 4.472 7.983 1.00 76.12 1SG 64 ATOM 64 CA ILE 27 -10.082 3.712 8.643 1.00 76.12 1SG 65 ATOM 65 CB ILE 27 -9.345 2.765 7.741 1.00 76.12 1SG 66 ATOM 66 CG2 ILE 27 -8.546 3.595 6.722 1.00 76.12 1SG 67 ATOM 67 CG1 ILE 27 -8.488 1.796 8.572 1.00 76.12 1SG 68 ATOM 68 CD1 ILE 27 -7.949 0.614 7.768 1.00 76.12 1SG 69 ATOM 69 C ILE 27 -9.082 4.675 9.184 1.00 76.12 1SG 70 ATOM 70 O ILE 27 -9.065 5.846 8.812 1.00 76.12 1SG 71 ATOM 71 N ARG 28 -8.234 4.193 10.111 1.00127.65 1SG 72 ATOM 72 CA ARG 28 -7.207 5.013 10.680 1.00127.65 1SG 73 ATOM 73 CB ARG 28 -6.426 4.302 11.800 1.00127.65 1SG 74 ATOM 74 CG ARG 28 -5.254 5.105 12.367 1.00127.65 1SG 75 ATOM 75 CD ARG 28 -4.377 4.287 13.320 1.00127.65 1SG 76 ATOM 76 NE ARG 28 -3.242 5.149 13.756 1.00127.65 1SG 77 ATOM 77 CZ ARG 28 -2.173 4.591 14.397 1.00127.65 1SG 78 ATOM 78 NH1 ARG 28 -2.143 3.247 14.632 1.00127.65 1SG 79 ATOM 79 NH2 ARG 28 -1.132 5.376 14.800 1.00127.65 1SG 80 ATOM 80 C ARG 28 -6.242 5.307 9.584 1.00127.65 1SG 81 ATOM 81 O ARG 28 -6.046 4.487 8.688 1.00127.65 1SG 82 ATOM 82 N ARG 29 -5.637 6.510 9.601 1.00132.62 1SG 83 ATOM 83 CA ARG 29 -4.699 6.800 8.563 1.00132.62 1SG 84 ATOM 84 CB ARG 29 -4.889 8.202 7.966 1.00132.62 1SG 85 ATOM 85 CG ARG 29 -6.246 8.372 7.281 1.00132.62 1SG 86 ATOM 86 CD ARG 29 -6.460 9.763 6.683 1.00132.62 1SG 87 ATOM 87 NE ARG 29 -7.811 9.778 6.056 1.00132.62 1SG 88 ATOM 88 CZ ARG 29 -8.468 10.962 5.888 1.00132.62 1SG 89 ATOM 89 NH1 ARG 29 -7.883 12.128 6.289 1.00132.62 1SG 90 ATOM 90 NH2 ARG 29 -9.709 10.981 5.321 1.00132.62 1SG 91 ATOM 91 C ARG 29 -3.339 6.746 9.170 1.00132.62 1SG 92 ATOM 92 O ARG 29 -2.579 7.711 9.110 1.00132.62 1SG 93 ATOM 93 N ARG 30 -3.004 5.595 9.777 1.00100.79 1SG 94 ATOM 94 CA ARG 30 -1.698 5.407 10.328 1.00100.79 1SG 95 ATOM 95 CB ARG 30 -1.570 4.067 11.068 1.00100.79 1SG 96 ATOM 96 CG ARG 30 -0.190 3.816 11.677 1.00100.79 1SG 97 ATOM 97 CD ARG 30 -0.095 2.474 12.403 1.00100.79 1SG 98 ATOM 98 NE ARG 30 1.286 2.347 12.946 1.00100.79 1SG 99 ATOM 99 CZ ARG 30 1.543 1.439 13.932 1.00100.79 1SG 100 ATOM 100 NH1 ARG 30 0.533 0.661 14.420 1.00100.79 1SG 101 ATOM 101 NH2 ARG 30 2.806 1.310 14.430 1.00100.79 1SG 102 ATOM 102 C ARG 30 -0.779 5.371 9.156 1.00100.79 1SG 103 ATOM 103 O ARG 30 0.301 5.959 9.159 1.00100.79 1SG 104 ATOM 104 N LYS 31 -1.237 4.676 8.101 1.00 74.44 1SG 105 ATOM 105 CA LYS 31 -0.498 4.514 6.891 1.00 74.44 1SG 106 ATOM 106 CB LYS 31 -0.623 3.092 6.331 1.00 74.44 1SG 107 ATOM 107 CG LYS 31 0.175 2.819 5.061 1.00 74.44 1SG 108 ATOM 108 CD LYS 31 0.193 1.326 4.727 1.00 74.44 1SG 109 ATOM 109 CE LYS 31 0.973 0.966 3.463 1.00 74.44 1SG 110 ATOM 110 NZ LYS 31 0.898 -0.494 3.234 1.00 74.44 1SG 111 ATOM 111 C LYS 31 -1.124 5.433 5.902 1.00 74.44 1SG 112 ATOM 112 O LYS 31 -2.207 5.966 6.134 1.00 74.44 1SG 113 ATOM 113 N THR 32 -0.447 5.658 4.764 1.00101.89 1SG 114 ATOM 114 CA THR 32 -1.023 6.540 3.801 1.00101.89 1SG 115 ATOM 115 CB THR 32 -0.100 6.894 2.671 1.00101.89 1SG 116 ATOM 116 OG1 THR 32 -0.678 7.914 1.870 1.00101.89 1SG 117 ATOM 117 CG2 THR 32 0.157 5.634 1.828 1.00101.89 1SG 118 ATOM 118 C THR 32 -2.201 5.836 3.225 1.00101.89 1SG 119 ATOM 119 O THR 32 -2.364 4.629 3.395 1.00101.89 1SG 120 ATOM 120 N ARG 33 -3.073 6.591 2.536 1.00133.14 1SG 121 ATOM 121 CA ARG 33 -4.255 5.997 1.995 1.00133.14 1SG 122 ATOM 122 CB ARG 33 -5.193 7.039 1.361 1.00133.14 1SG 123 ATOM 123 CG ARG 33 -6.621 6.552 1.121 1.00133.14 1SG 124 ATOM 124 CD ARG 33 -7.540 7.666 0.617 1.00133.14 1SG 125 ATOM 125 NE ARG 33 -8.928 7.129 0.574 1.00133.14 1SG 126 ATOM 126 CZ ARG 33 -9.979 7.963 0.826 1.00133.14 1SG 127 ATOM 127 NH1 ARG 33 -9.751 9.275 1.123 1.00133.14 1SG 128 ATOM 128 NH2 ARG 33 -11.256 7.484 0.782 1.00133.14 1SG 129 ATOM 129 C ARG 33 -3.820 5.026 0.945 1.00133.14 1SG 130 ATOM 130 O ARG 33 -2.960 5.328 0.118 1.00133.14 1SG 131 ATOM 131 N HIS 34 -4.394 3.808 0.982 1.00 69.61 1SG 132 ATOM 132 CA HIS 34 -4.050 2.776 0.047 1.00 69.61 1SG 133 ATOM 133 ND1 HIS 34 -4.544 0.926 2.881 1.00 69.61 1SG 134 ATOM 134 CG HIS 34 -4.104 0.743 1.588 1.00 69.61 1SG 135 ATOM 135 CB HIS 34 -4.695 1.416 0.381 1.00 69.61 1SG 136 ATOM 136 NE2 HIS 34 -2.855 -0.519 2.984 1.00 69.61 1SG 137 ATOM 137 CD2 HIS 34 -3.072 -0.142 1.671 1.00 69.61 1SG 138 ATOM 138 CE1 HIS 34 -3.763 0.148 3.674 1.00 69.61 1SG 139 ATOM 139 C HIS 34 -4.504 3.169 -1.323 1.00 69.61 1SG 140 ATOM 140 O HIS 34 -3.786 2.981 -2.305 1.00 69.61 1SG 141 ATOM 141 N ARG 35 -5.714 3.747 -1.415 1.00141.07 1SG 142 ATOM 142 CA ARG 35 -6.302 4.097 -2.674 1.00141.07 1SG 143 ATOM 143 CB ARG 35 -7.759 4.572 -2.535 1.00141.07 1SG 144 ATOM 144 CG ARG 35 -8.323 5.231 -3.796 1.00141.07 1SG 145 ATOM 145 CD ARG 35 -9.619 6.008 -3.543 1.00141.07 1SG 146 ATOM 146 NE ARG 35 -9.866 6.880 -4.728 1.00141.07 1SG 147 ATOM 147 CZ ARG 35 -10.612 6.433 -5.780 1.00141.07 1SG 148 ATOM 148 NH1 ARG 35 -11.187 5.197 -5.732 1.00141.07 1SG 149 ATOM 149 NH2 ARG 35 -10.787 7.224 -6.879 1.00141.07 1SG 150 ATOM 150 C ARG 35 -5.537 5.211 -3.312 1.00141.07 1SG 151 ATOM 151 O ARG 35 -4.971 6.070 -2.637 1.00141.07 1SG 152 ATOM 152 N GLY 36 -5.493 5.183 -4.662 1.00 80.58 1SG 153 ATOM 153 CA GLY 36 -4.898 6.221 -5.452 1.00 80.58 1SG 154 ATOM 154 C GLY 36 -3.475 5.896 -5.766 1.00 80.58 1SG 155 ATOM 155 O GLY 36 -2.832 5.046 -5.148 1.00 80.58 1SG 156 ATOM 156 N PRO 37 -3.020 6.585 -6.784 1.00105.29 1SG 157 ATOM 157 CA PRO 37 -1.642 6.571 -7.197 1.00105.29 1SG 158 ATOM 158 CD PRO 37 -3.902 7.021 -7.852 1.00105.29 1SG 159 ATOM 159 CB PRO 37 -1.616 7.106 -8.629 1.00105.29 1SG 160 ATOM 160 CG PRO 37 -2.982 7.790 -8.813 1.00105.29 1SG 161 ATOM 161 C PRO 37 -0.989 7.478 -6.214 1.00105.29 1SG 162 ATOM 162 O PRO 37 -1.716 8.259 -5.601 1.00105.29 1SG 163 ATOM 163 N LEU 38 0.349 7.423 -6.037 1.00331.76 1SG 164 ATOM 164 CA LEU 38 0.805 8.230 -4.951 1.00331.76 1SG 165 ATOM 165 CB LEU 38 0.145 7.584 -3.724 1.00331.76 1SG 166 ATOM 166 CG LEU 38 -0.270 8.497 -2.563 1.00331.76 1SG 167 ATOM 167 CD2 LEU 38 -0.737 7.611 -1.392 1.00331.76 1SG 168 ATOM 168 CD1 LEU 38 -1.311 9.541 -3.000 1.00331.76 1SG 169 ATOM 169 C LEU 38 2.324 8.148 -5.029 1.00331.76 1SG 170 ATOM 170 O LEU 38 2.822 7.628 -6.026 1.00331.76 1SG 171 ATOM 171 N GLY 39 3.153 8.625 -4.053 1.00146.87 1SG 172 ATOM 172 CA GLY 39 4.557 8.499 -4.418 1.00146.87 1SG 173 ATOM 173 C GLY 39 5.561 8.132 -3.327 1.00146.87 1SG 174 ATOM 174 O GLY 39 6.101 8.996 -2.641 1.00146.87 1SG 175 ATOM 175 N ILE 40 5.872 6.816 -3.217 1.00119.92 1SG 176 ATOM 176 CA ILE 40 6.864 6.061 -2.487 1.00119.92 1SG 177 ATOM 177 CB ILE 40 6.747 5.977 -0.978 1.00119.92 1SG 178 ATOM 178 CG2 ILE 40 7.716 4.950 -0.379 1.00119.92 1SG 179 ATOM 179 CG1 ILE 40 7.059 7.349 -0.382 1.00119.92 1SG 180 ATOM 180 CD1 ILE 40 6.934 7.340 1.139 1.00119.92 1SG 181 ATOM 181 C ILE 40 6.837 4.714 -3.162 1.00119.92 1SG 182 ATOM 182 O ILE 40 7.171 4.636 -4.345 1.00119.92 1SG 183 ATOM 183 N VAL 41 6.473 3.607 -2.473 1.00140.07 1SG 184 ATOM 184 CA VAL 41 6.505 2.331 -3.132 1.00140.07 1SG 185 ATOM 185 CB VAL 41 7.641 1.496 -2.665 1.00140.07 1SG 186 ATOM 186 CG1 VAL 41 8.927 2.123 -3.204 1.00140.07 1SG 187 ATOM 187 CG2 VAL 41 7.594 1.487 -1.131 1.00140.07 1SG 188 ATOM 188 C VAL 41 5.254 1.546 -2.891 1.00140.07 1SG 189 ATOM 189 O VAL 41 4.905 1.255 -1.745 1.00140.07 1SG 190 ATOM 190 N SER 42 4.553 1.208 -3.997 1.00264.83 1SG 191 ATOM 191 CA SER 42 3.390 0.364 -4.070 1.00264.83 1SG 192 ATOM 192 CB SER 42 2.962 -0.358 -2.776 1.00264.83 1SG 193 ATOM 193 OG SER 42 2.327 0.550 -1.888 1.00264.83 1SG 194 ATOM 194 C SER 42 2.232 1.176 -4.544 1.00264.83 1SG 195 ATOM 195 O SER 42 2.326 2.392 -4.699 1.00264.83 1SG 196 ATOM 196 N GLY 43 1.102 0.497 -4.817 1.00151.86 1SG 197 ATOM 197 CA GLY 43 -0.099 1.167 -5.222 1.00151.86 1SG 198 ATOM 198 C GLY 43 -0.121 1.314 -6.710 1.00151.86 1SG 199 ATOM 199 O GLY 43 -1.115 1.762 -7.281 1.00151.86 1SG 200 ATOM 200 N GLY 44 0.976 0.945 -7.388 1.00 43.67 1SG 201 ATOM 201 CA GLY 44 0.992 1.071 -8.815 1.00 43.67 1SG 202 ATOM 202 C GLY 44 1.718 2.333 -9.139 1.00 43.67 1SG 203 ATOM 203 O GLY 44 2.456 2.398 -10.120 1.00 43.67 1SG 204 ATOM 204 N ARG 45 1.540 3.377 -8.308 1.00119.47 1SG 205 ATOM 205 CA ARG 45 2.304 4.570 -8.518 1.00119.47 1SG 206 ATOM 206 CB ARG 45 1.557 5.904 -8.323 1.00119.47 1SG 207 ATOM 207 CG ARG 45 2.412 7.076 -8.821 1.00119.47 1SG 208 ATOM 208 CD ARG 45 1.677 8.405 -9.001 1.00119.47 1SG 209 ATOM 209 NE ARG 45 2.122 9.340 -7.931 1.00119.47 1SG 210 ATOM 210 CZ ARG 45 1.171 10.085 -7.299 1.00119.47 1SG 211 ATOM 211 NH1 ARG 45 -0.141 9.871 -7.612 1.00119.47 1SG 212 ATOM 212 NH2 ARG 45 1.508 11.019 -6.362 1.00119.47 1SG 213 ATOM 213 C ARG 45 3.374 4.450 -7.498 1.00119.47 1SG 214 ATOM 214 O ARG 45 3.551 3.354 -6.966 1.00119.47 1SG 215 ATOM 215 N LEU 46 4.160 5.514 -7.228 1.00 88.62 1SG 216 ATOM 216 CA LEU 46 5.178 5.289 -6.243 1.00 88.62 1SG 217 ATOM 217 CB LEU 46 6.065 6.524 -5.997 1.00 88.62 1SG 218 ATOM 218 CG LEU 46 6.780 7.084 -7.235 1.00 88.62 1SG 219 ATOM 219 CD2 LEU 46 7.972 7.969 -6.836 1.00 88.62 1SG 220 ATOM 220 CD1 LEU 46 5.788 7.783 -8.177 1.00 88.62 1SG 221 ATOM 221 C LEU 46 4.492 4.905 -4.951 1.00 88.62 1SG 222 ATOM 222 O LEU 46 4.636 3.778 -4.495 1.00 88.62 1SG 223 ATOM 223 N ILE 47 3.691 5.807 -4.354 1.00204.55 1SG 224 ATOM 224 CA ILE 47 2.841 5.563 -3.216 1.00204.55 1SG 225 ATOM 225 CB ILE 47 2.648 4.175 -2.654 1.00204.55 1SG 226 ATOM 226 CG2 ILE 47 3.763 3.759 -1.676 1.00204.55 1SG 227 ATOM 227 CG1 ILE 47 1.270 4.198 -1.965 1.00204.55 1SG 228 ATOM 228 CD1 ILE 47 0.726 2.826 -1.578 1.00204.55 1SG 229 ATOM 229 C ILE 47 2.975 6.573 -2.104 1.00204.55 1SG 230 ATOM 230 O ILE 47 2.095 7.382 -1.878 1.00204.55 1SG 231 ATOM 231 N GLY 48 4.027 6.510 -1.280 1.00101.27 1SG 232 ATOM 232 CA GLY 48 4.130 7.379 -0.144 1.00101.27 1SG 233 ATOM 233 C GLY 48 4.405 8.815 -0.505 1.00101.27 1SG 234 ATOM 234 O GLY 48 5.336 9.430 0.014 1.00101.27 1SG 235 ATOM 235 N GLN 49 3.599 9.424 -1.385 1.00186.94 1SG 236 ATOM 236 CA GLN 49 3.750 10.824 -1.615 1.00186.94 1SG 237 ATOM 237 CB GLN 49 4.446 11.162 -2.940 1.00186.94 1SG 238 ATOM 238 CG GLN 49 4.648 12.665 -3.130 1.00186.94 1SG 239 ATOM 239 CD GLN 49 5.128 12.899 -4.549 1.00186.94 1SG 240 ATOM 240 OE1 GLN 49 5.321 14.047 -4.945 1.00186.94 1SG 241 ATOM 241 NE2 GLN 49 5.317 11.804 -5.334 1.00186.94 1SG 242 ATOM 242 C GLN 49 2.352 11.332 -1.707 1.00186.94 1SG 243 ATOM 243 O GLN 49 2.020 12.174 -2.540 1.00186.94 1SG 244 ATOM 244 N ALA 50 1.490 10.820 -0.816 1.00 53.91 1SG 245 ATOM 245 CA ALA 50 0.113 11.189 -0.853 1.00 53.91 1SG 246 ATOM 246 CB ALA 50 -0.810 10.235 -0.082 1.00 53.91 1SG 247 ATOM 247 C ALA 50 -0.026 12.512 -0.206 1.00 53.91 1SG 248 ATOM 248 O ALA 50 0.826 12.936 0.574 1.00 53.91 1SG 249 ATOM 249 N ASP 51 -1.110 13.219 -0.556 1.00141.51 1SG 250 ATOM 250 CA ASP 51 -1.350 14.440 0.126 1.00141.51 1SG 251 ATOM 251 CB ASP 51 -2.123 15.480 -0.716 1.00141.51 1SG 252 ATOM 252 CG ASP 51 -3.465 14.930 -1.184 1.00141.51 1SG 253 ATOM 253 OD1 ASP 51 -3.546 13.709 -1.484 1.00141.51 1SG 254 ATOM 254 OD2 ASP 51 -4.427 15.740 -1.267 1.00141.51 1SG 255 ATOM 255 C ASP 51 -2.115 14.043 1.339 1.00141.51 1SG 256 ATOM 256 O ASP 51 -3.297 14.355 1.494 1.00141.51 1SG 257 ATOM 257 N LEU 52 -1.422 13.324 2.244 1.00262.18 1SG 258 ATOM 258 CA LEU 52 -2.049 12.892 3.451 1.00262.18 1SG 259 ATOM 259 CB LEU 52 -1.134 12.016 4.339 1.00262.18 1SG 260 ATOM 260 CG LEU 52 -1.810 11.430 5.598 1.00262.18 1SG 261 ATOM 261 CD2 LEU 52 -0.789 10.717 6.503 1.00262.18 1SG 262 ATOM 262 CD1 LEU 52 -2.988 10.515 5.227 1.00262.18 1SG 263 ATOM 263 C LEU 52 -2.371 14.170 4.136 1.00262.18 1SG 264 ATOM 264 O LEU 52 -1.666 15.164 3.964 1.00262.18 1SG 265 ATOM 265 N VAL 53 -3.471 14.207 4.900 1.00124.35 1SG 266 ATOM 266 CA VAL 53 -3.843 15.484 5.416 1.00124.35 1SG 267 ATOM 267 CB VAL 53 -5.259 15.867 5.109 1.00124.35 1SG 268 ATOM 268 CG1 VAL 53 -5.351 16.185 3.604 1.00124.35 1SG 269 ATOM 269 CG2 VAL 53 -6.173 14.702 5.516 1.00124.35 1SG 270 ATOM 270 C VAL 53 -3.581 15.584 6.876 1.00124.35 1SG 271 ATOM 271 O VAL 53 -3.443 14.600 7.599 1.00124.35 1SG 272 ATOM 272 N GLY 54 -3.486 16.845 7.318 1.00 62.20 1SG 273 ATOM 273 CA GLY 54 -3.127 17.227 8.643 1.00 62.20 1SG 274 ATOM 274 C GLY 54 -2.209 18.351 8.351 1.00 62.20 1SG 275 ATOM 275 O GLY 54 -2.505 19.167 7.480 1.00 62.20 1SG 276 ATOM 276 N VAL 55 -1.082 18.447 9.070 1.00189.40 1SG 277 ATOM 277 CA VAL 55 -0.148 19.425 8.622 1.00189.40 1SG 278 ATOM 278 CB VAL 55 1.070 19.504 9.511 1.00189.40 1SG 279 ATOM 279 CG1 VAL 55 0.600 19.956 10.905 1.00189.40 1SG 280 ATOM 280 CG2 VAL 55 1.801 18.149 9.538 1.00189.40 1SG 281 ATOM 281 C VAL 55 0.211 18.939 7.249 1.00189.40 1SG 282 ATOM 282 O VAL 55 0.260 19.704 6.286 1.00189.40 1SG 283 ATOM 283 N GLU 56 0.422 17.612 7.146 1.00285.18 1SG 284 ATOM 284 CA GLU 56 0.688 16.878 5.941 1.00285.18 1SG 285 ATOM 285 CB GLU 56 1.971 17.261 5.184 1.00285.18 1SG 286 ATOM 286 CG GLU 56 1.875 18.562 4.388 1.00285.18 1SG 287 ATOM 287 CD GLU 56 0.652 18.471 3.485 1.00285.18 1SG 288 ATOM 288 OE1 GLU 56 -0.460 18.814 3.969 1.00285.18 1SG 289 ATOM 289 OE2 GLU 56 0.807 18.058 2.306 1.00285.18 1SG 290 ATOM 290 C GLU 56 0.881 15.469 6.381 1.00285.18 1SG 291 ATOM 291 O GLU 56 0.878 15.183 7.577 1.00285.18 1SG 292 ATOM 292 N GLY 57 1.041 14.541 5.419 1.00 58.33 1SG 293 ATOM 293 CA GLY 57 1.283 13.180 5.796 1.00 58.33 1SG 294 ATOM 294 C GLY 57 2.721 12.910 5.494 1.00 58.33 1SG 295 ATOM 295 O GLY 57 3.168 12.992 4.352 1.00 58.33 1SG 296 ATOM 296 N PRO 58 3.449 12.583 6.526 1.00119.70 1SG 297 ATOM 297 CA PRO 58 4.846 12.295 6.356 1.00119.70 1SG 298 ATOM 298 CD PRO 58 3.192 13.233 7.801 1.00119.70 1SG 299 ATOM 299 CB PRO 58 5.483 12.438 7.734 1.00119.70 1SG 300 ATOM 300 CG PRO 58 4.572 13.453 8.443 1.00119.70 1SG 301 ATOM 301 C PRO 58 5.031 10.953 5.740 1.00119.70 1SG 302 ATOM 302 O PRO 58 4.099 10.151 5.764 1.00119.70 1SG 303 ATOM 303 N PHE 59 6.224 10.690 5.173 1.00 55.98 1SG 304 ATOM 304 CA PHE 59 6.408 9.432 4.519 1.00 55.98 1SG 305 ATOM 305 CB PHE 59 6.258 9.512 2.997 1.00 55.98 1SG 306 ATOM 306 CG PHE 59 4.797 9.550 2.710 1.00 55.98 1SG 307 ATOM 307 CD1 PHE 59 4.065 8.386 2.764 1.00 55.98 1SG 308 ATOM 308 CD2 PHE 59 4.159 10.724 2.388 1.00 55.98 1SG 309 ATOM 309 CE1 PHE 59 2.715 8.388 2.503 1.00 55.98 1SG 310 ATOM 310 CE2 PHE 59 2.809 10.731 2.125 1.00 55.98 1SG 311 ATOM 311 CZ PHE 59 2.083 9.565 2.183 1.00 55.98 1SG 312 ATOM 312 C PHE 59 7.745 8.839 4.824 1.00 55.98 1SG 313 ATOM 313 O PHE 59 8.634 9.475 5.390 1.00 55.98 1SG 314 ATOM 314 N SER 60 7.879 7.554 4.438 1.00 96.99 1SG 315 ATOM 315 CA SER 60 9.035 6.742 4.667 1.00 96.99 1SG 316 ATOM 316 CB SER 60 8.687 5.261 4.902 1.00 96.99 1SG 317 ATOM 317 OG SER 60 9.827 4.554 5.366 1.00 96.99 1SG 318 ATOM 318 C SER 60 9.936 6.845 3.475 1.00 96.99 1SG 319 ATOM 319 O SER 60 10.113 7.921 2.905 1.00 96.99 1SG 320 ATOM 320 N VAL 61 10.554 5.712 3.084 1.00209.75 1SG 321 ATOM 321 CA VAL 61 11.506 5.711 2.010 1.00209.75 1SG 322 ATOM 322 CB VAL 61 12.172 4.377 1.823 1.00209.75 1SG 323 ATOM 323 CG1 VAL 61 13.074 4.142 3.026 1.00209.75 1SG 324 ATOM 324 CG2 VAL 61 11.108 3.270 1.736 1.00209.75 1SG 325 ATOM 325 C VAL 61 10.849 6.079 0.723 1.00209.75 1SG 326 ATOM 326 O VAL 61 10.401 5.227 -0.037 1.00209.75 1SG 327 ATOM 327 N GLU 62 10.858 7.390 0.433 1.00107.71 1SG 328 ATOM 328 CA GLU 62 10.305 8.020 -0.733 1.00107.71 1SG 329 ATOM 329 CB GLU 62 10.466 9.549 -0.632 1.00107.71 1SG 330 ATOM 330 CG GLU 62 9.921 10.366 -1.805 1.00107.71 1SG 331 ATOM 331 CD GLU 62 10.290 11.822 -1.534 1.00107.71 1SG 332 ATOM 332 OE1 GLU 62 10.895 12.082 -0.459 1.00107.71 1SG 333 ATOM 333 OE2 GLU 62 9.981 12.690 -2.394 1.00107.71 1SG 334 ATOM 334 C GLU 62 11.102 7.576 -1.917 1.00107.71 1SG 335 ATOM 335 O GLU 62 10.601 7.481 -3.037 1.00107.71 1SG 336 ATOM 336 N GLU 63 12.379 7.265 -1.646 1.00 97.35 1SG 337 ATOM 337 CA GLU 63 13.446 7.021 -2.573 1.00 97.35 1SG 338 ATOM 338 CB GLU 63 14.763 6.682 -1.858 1.00 97.35 1SG 339 ATOM 339 CG GLU 63 15.932 6.475 -2.822 1.00 97.35 1SG 340 ATOM 340 CD GLU 63 17.200 6.326 -1.997 1.00 97.35 1SG 341 ATOM 341 OE1 GLU 63 17.086 6.240 -0.746 1.00 97.35 1SG 342 ATOM 342 OE2 GLU 63 18.302 6.305 -2.608 1.00 97.35 1SG 343 ATOM 343 C GLU 63 13.211 5.899 -3.535 1.00 97.35 1SG 344 ATOM 344 O GLU 63 13.686 5.972 -4.668 1.00 97.35 1SG 345 ATOM 345 N LEU 64 12.510 4.823 -3.134 1.00130.18 1SG 346 ATOM 346 CA LEU 64 12.477 3.706 -4.030 1.00130.18 1SG 347 ATOM 347 CB LEU 64 11.834 2.430 -3.467 1.00130.18 1SG 348 ATOM 348 CG LEU 64 11.887 1.268 -4.478 1.00130.18 1SG 349 ATOM 349 CD2 LEU 64 11.222 0.002 -3.915 1.00130.18 1SG 350 ATOM 350 CD1 LEU 64 13.335 1.014 -4.931 1.00130.18 1SG 351 ATOM 351 C LEU 64 11.825 4.069 -5.324 1.00130.18 1SG 352 ATOM 352 O LEU 64 12.307 3.642 -6.374 1.00130.18 1SG 353 ATOM 353 N LEU 65 10.722 4.853 -5.282 1.00310.29 1SG 354 ATOM 354 CA LEU 65 10.092 5.291 -6.501 1.00310.29 1SG 355 ATOM 355 CB LEU 65 11.105 5.757 -7.586 1.00310.29 1SG 356 ATOM 356 CG LEU 65 10.595 6.098 -9.010 1.00310.29 1SG 357 ATOM 357 CD2 LEU 65 11.752 6.023 -10.025 1.00310.29 1SG 358 ATOM 358 CD1 LEU 65 9.802 7.408 -9.076 1.00310.29 1SG 359 ATOM 359 C LEU 65 9.257 4.178 -7.048 1.00310.29 1SG 360 ATOM 360 O LEU 65 8.206 3.827 -6.513 1.00310.29 1SG 361 ATOM 361 N ALA 66 9.748 3.584 -8.148 1.00244.27 1SG 362 ATOM 362 CA ALA 66 9.036 2.637 -8.938 1.00244.27 1SG 363 ATOM 363 CB ALA 66 9.883 2.053 -10.079 1.00244.27 1SG 364 ATOM 364 C ALA 66 8.572 1.509 -8.100 1.00244.27 1SG 365 ATOM 365 O ALA 66 9.270 1.031 -7.206 1.00244.27 1SG 366 ATOM 366 N HIS 67 7.324 1.085 -8.374 1.00142.46 1SG 367 ATOM 367 CA HIS 67 6.776 -0.044 -7.703 1.00142.46 1SG 368 ATOM 368 ND1 HIS 67 7.269 -1.436 -4.737 1.00142.46 1SG 369 ATOM 369 CG HIS 67 6.199 -0.957 -5.459 1.00142.46 1SG 370 ATOM 370 CB HIS 67 6.261 0.278 -6.296 1.00142.46 1SG 371 ATOM 371 NE2 HIS 67 5.591 -2.856 -4.411 1.00142.46 1SG 372 ATOM 372 CD2 HIS 67 5.183 -1.835 -5.250 1.00142.46 1SG 373 ATOM 373 CE1 HIS 67 6.850 -2.574 -4.129 1.00142.46 1SG 374 ATOM 374 C HIS 67 5.622 -0.488 -8.542 1.00142.46 1SG 375 ATOM 375 O HIS 67 5.099 0.287 -9.343 1.00142.46 1SG 376 ATOM 376 N GLN 68 5.204 -1.761 -8.406 1.00 85.87 1SG 377 ATOM 377 CA GLN 68 4.091 -2.202 -9.195 1.00 85.87 1SG 378 ATOM 378 CB GLN 68 4.470 -3.120 -10.372 1.00 85.87 1SG 379 ATOM 379 CG GLN 68 3.294 -3.452 -11.294 1.00 85.87 1SG 380 ATOM 380 CD GLN 68 3.817 -4.278 -12.456 1.00 85.87 1SG 381 ATOM 381 OE1 GLN 68 3.056 -4.676 -13.336 1.00 85.87 1SG 382 ATOM 382 NE2 GLN 68 5.151 -4.538 -12.465 1.00 85.87 1SG 383 ATOM 383 C GLN 68 3.132 -2.924 -8.299 1.00 85.87 1SG 384 ATOM 384 O GLN 68 3.431 -3.208 -7.139 1.00 85.87 1SG 385 ATOM 385 N GLU 69 1.930 -3.213 -8.836 1.00 73.17 1SG 386 ATOM 386 CA GLU 69 0.844 -3.827 -8.128 1.00 73.17 1SG 387 ATOM 387 CB GLU 69 -0.398 -3.985 -9.021 1.00 73.17 1SG 388 ATOM 388 CG GLU 69 -1.596 -4.624 -8.320 1.00 73.17 1SG 389 ATOM 389 CD GLU 69 -2.722 -4.703 -9.340 1.00 73.17 1SG 390 ATOM 390 OE1 GLU 69 -2.476 -4.316 -10.514 1.00 73.17 1SG 391 ATOM 391 OE2 GLU 69 -3.839 -5.148 -8.963 1.00 73.17 1SG 392 ATOM 392 C GLU 69 1.223 -5.197 -7.664 1.00 73.17 1SG 393 ATOM 393 O GLU 69 0.989 -5.552 -6.509 1.00 73.17 1SG 394 ATOM 394 N LYS 70 1.839 -6.001 -8.546 1.00 78.64 1SG 395 ATOM 395 CA LYS 70 2.188 -7.344 -8.182 1.00 78.64 1SG 396 ATOM 396 CB LYS 70 2.872 -8.110 -9.328 1.00 78.64 1SG 397 ATOM 397 CG LYS 70 1.971 -8.374 -10.538 1.00 78.64 1SG 398 ATOM 398 CD LYS 70 0.775 -9.285 -10.248 1.00 78.64 1SG 399 ATOM 399 CE LYS 70 -0.073 -9.588 -11.487 1.00 78.64 1SG 400 ATOM 400 NZ LYS 70 -1.128 -10.572 -11.155 1.00 78.64 1SG 401 ATOM 401 C LYS 70 3.164 -7.245 -7.060 1.00 78.64 1SG 402 ATOM 402 O LYS 70 3.175 -8.058 -6.137 1.00 78.64 1SG 403 ATOM 403 N HIS 71 4.007 -6.206 -7.135 1.00 79.38 1SG 404 ATOM 404 CA HIS 71 5.049 -5.908 -6.202 1.00 79.38 1SG 405 ATOM 405 ND1 HIS 71 6.071 -5.185 -9.208 1.00 79.38 1SG 406 ATOM 406 CG HIS 71 6.672 -5.152 -7.970 1.00 79.38 1SG 407 ATOM 407 CB HIS 71 5.955 -4.772 -6.704 1.00 79.38 1SG 408 ATOM 408 NE2 HIS 71 8.183 -5.802 -9.516 1.00 79.38 1SG 409 ATOM 409 CD2 HIS 71 7.962 -5.533 -8.177 1.00 79.38 1SG 410 ATOM 410 CE1 HIS 71 7.018 -5.579 -10.096 1.00 79.38 1SG 411 ATOM 411 C HIS 71 4.457 -5.533 -4.873 1.00 79.38 1SG 412 ATOM 412 O HIS 71 5.121 -5.658 -3.846 1.00 79.38 1SG 413 ATOM 413 N LEU 72 3.193 -5.064 -4.846 1.00129.16 1SG 414 ATOM 414 CA LEU 72 2.598 -4.581 -3.625 1.00129.16 1SG 415 ATOM 415 CB LEU 72 1.112 -4.212 -3.780 1.00129.16 1SG 416 ATOM 416 CG LEU 72 0.453 -3.761 -2.459 1.00129.16 1SG 417 ATOM 417 CD2 LEU 72 -1.076 -3.652 -2.596 1.00129.16 1SG 418 ATOM 418 CD1 LEU 72 1.099 -2.477 -1.919 1.00129.16 1SG 419 ATOM 419 C LEU 72 2.657 -5.629 -2.557 1.00129.16 1SG 420 ATOM 420 O LEU 72 3.029 -5.332 -1.423 1.00129.16 1SG 421 ATOM 421 N ALA 73 2.315 -6.887 -2.879 1.00 34.97 1SG 422 ATOM 422 CA ALA 73 2.344 -7.906 -1.869 1.00 34.97 1SG 423 ATOM 423 CB ALA 73 1.944 -9.292 -2.404 1.00 34.97 1SG 424 ATOM 424 C ALA 73 3.756 -7.990 -1.386 1.00 34.97 1SG 425 ATOM 425 O ALA 73 4.028 -8.219 -0.208 1.00 34.97 1SG 426 ATOM 426 N GLU 74 4.679 -7.772 -2.332 1.00115.94 1SG 427 ATOM 427 CA GLU 74 6.106 -7.810 -2.218 1.00115.94 1SG 428 ATOM 428 CB GLU 74 6.819 -7.797 -3.581 1.00115.94 1SG 429 ATOM 429 CG GLU 74 8.250 -8.335 -3.513 1.00115.94 1SG 430 ATOM 430 CD GLU 74 8.642 -8.763 -4.919 1.00115.94 1SG 431 ATOM 431 OE1 GLU 74 7.836 -8.520 -5.857 1.00115.94 1SG 432 ATOM 432 OE2 GLU 74 9.747 -9.349 -5.074 1.00115.94 1SG 433 ATOM 433 C GLU 74 6.571 -6.656 -1.378 1.00115.94 1SG 434 ATOM 434 O GLU 74 7.771 -6.482 -1.179 1.00115.94 1SG 435 ATOM 435 N GLU 75 5.623 -5.855 -0.848 1.00 84.07 1SG 436 ATOM 436 CA GLU 75 5.803 -4.589 -0.175 1.00 84.07 1SG 437 ATOM 437 CB GLU 75 4.538 -4.095 0.538 1.00 84.07 1SG 438 ATOM 438 CG GLU 75 4.714 -2.682 1.094 1.00 84.07 1SG 439 ATOM 439 CD GLU 75 3.404 -2.246 1.726 1.00 84.07 1SG 440 ATOM 440 OE1 GLU 75 2.437 -3.052 1.687 1.00 84.07 1SG 441 ATOM 441 OE2 GLU 75 3.353 -1.102 2.253 1.00 84.07 1SG 442 ATOM 442 C GLU 75 6.913 -4.620 0.843 1.00 84.07 1SG 443 ATOM 443 O GLU 75 7.441 -3.567 1.199 1.00 84.07 1SG 444 ATOM 444 N ALA 76 7.323 -5.815 1.318 1.00 79.90 1SG 445 ATOM 445 CA ALA 76 8.423 -6.073 2.231 1.00 79.90 1SG 446 ATOM 446 CB ALA 76 8.636 -7.574 2.498 1.00 79.90 1SG 447 ATOM 447 C ALA 76 9.685 -5.536 1.597 1.00 79.90 1SG 448 ATOM 448 O ALA 76 10.720 -5.352 2.236 1.00 79.90 1SG 449 ATOM 449 N PHE 77 9.555 -5.264 0.293 1.00165.65 1SG 450 ATOM 450 CA PHE 77 10.367 -4.824 -0.794 1.00165.65 1SG 451 ATOM 451 CB PHE 77 9.343 -4.342 -1.849 1.00165.65 1SG 452 ATOM 452 CG PHE 77 9.777 -4.137 -3.256 1.00165.65 1SG 453 ATOM 453 CD1 PHE 77 10.336 -2.955 -3.678 1.00165.65 1SG 454 ATOM 454 CD2 PHE 77 9.556 -5.136 -4.176 1.00165.65 1SG 455 ATOM 455 CE1 PHE 77 10.699 -2.784 -4.995 1.00165.65 1SG 456 ATOM 456 CE2 PHE 77 9.917 -4.975 -5.493 1.00165.65 1SG 457 ATOM 457 CZ PHE 77 10.495 -3.797 -5.904 1.00165.65 1SG 458 ATOM 458 C PHE 77 11.157 -3.634 -0.329 1.00165.65 1SG 459 ATOM 459 O PHE 77 12.280 -3.428 -0.782 1.00165.65 1SG 460 ATOM 460 N LEU 78 10.603 -2.816 0.585 1.00 88.43 1SG 461 ATOM 461 CA LEU 78 11.241 -1.576 0.926 1.00 88.43 1SG 462 ATOM 462 CB LEU 78 10.504 -0.841 2.055 1.00 88.43 1SG 463 ATOM 463 CG LEU 78 8.982 -0.818 1.829 1.00 88.43 1SG 464 ATOM 464 CD2 LEU 78 8.625 -0.829 0.339 1.00 88.43 1SG 465 ATOM 465 CD1 LEU 78 8.296 0.281 2.653 1.00 88.43 1SG 466 ATOM 466 C LEU 78 12.651 -1.799 1.391 1.00 88.43 1SG 467 ATOM 467 O LEU 78 13.576 -1.240 0.806 1.00 88.43 1SG 468 ATOM 468 N ARG 79 12.889 -2.647 2.411 1.00107.34 1SG 469 ATOM 469 CA ARG 79 14.251 -2.761 2.857 1.00107.34 1SG 470 ATOM 470 CB ARG 79 14.476 -3.744 4.018 1.00107.34 1SG 471 ATOM 471 CG ARG 79 14.274 -3.211 5.436 1.00107.34 1SG 472 ATOM 472 CD ARG 79 14.834 -4.201 6.463 1.00107.34 1SG 473 ATOM 473 NE ARG 79 14.744 -3.605 7.824 1.00107.34 1SG 474 ATOM 474 CZ ARG 79 14.911 -4.414 8.911 1.00107.34 1SG 475 ATOM 475 NH1 ARG 79 15.125 -5.752 8.740 1.00107.34 1SG 476 ATOM 476 NH2 ARG 79 14.864 -3.888 10.170 1.00107.34 1SG 477 ATOM 477 C ARG 79 15.120 -3.301 1.765 1.00107.34 1SG 478 ATOM 478 O ARG 79 16.166 -2.730 1.459 1.00107.34 1SG 479 ATOM 479 N ALA 80 14.705 -4.419 1.140 1.00 39.57 1SG 480 ATOM 480 CA ALA 80 15.581 -5.057 0.200 1.00 39.57 1SG 481 ATOM 481 CB ALA 80 15.013 -6.382 -0.341 1.00 39.57 1SG 482 ATOM 482 C ALA 80 15.837 -4.181 -0.979 1.00 39.57 1SG 483 ATOM 483 O ALA 80 16.984 -3.954 -1.359 1.00 39.57 1SG 484 ATOM 484 N TYR 81 14.760 -3.650 -1.581 1.00101.35 1SG 485 ATOM 485 CA TYR 81 14.886 -2.840 -2.753 1.00101.35 1SG 486 ATOM 486 CB TYR 81 13.553 -2.649 -3.490 1.00101.35 1SG 487 ATOM 487 CG TYR 81 13.246 -3.968 -4.129 1.00101.35 1SG 488 ATOM 488 CD1 TYR 81 12.722 -5.016 -3.405 1.00101.35 1SG 489 ATOM 489 CD2 TYR 81 13.475 -4.154 -5.475 1.00101.35 1SG 490 ATOM 490 CE1 TYR 81 12.440 -6.220 -4.012 1.00101.35 1SG 491 ATOM 491 CE2 TYR 81 13.196 -5.354 -6.088 1.00101.35 1SG 492 ATOM 492 CZ TYR 81 12.675 -6.393 -5.355 1.00101.35 1SG 493 ATOM 493 OH TYR 81 12.387 -7.627 -5.978 1.00101.35 1SG 494 ATOM 494 C TYR 81 15.522 -1.531 -2.420 1.00101.35 1SG 495 ATOM 495 O TYR 81 16.364 -1.042 -3.171 1.00101.35 1SG 496 ATOM 496 N ALA 82 15.150 -0.929 -1.275 1.00 35.08 1SG 497 ATOM 497 CA ALA 82 15.740 0.330 -0.921 1.00 35.08 1SG 498 ATOM 498 CB ALA 82 15.256 0.887 0.427 1.00 35.08 1SG 499 ATOM 499 C ALA 82 17.199 0.069 -0.801 1.00 35.08 1SG 500 ATOM 500 O ALA 82 18.029 0.884 -1.200 1.00 35.08 1SG 501 ATOM 501 N LYS 83 17.539 -1.113 -0.262 1.00 82.63 1SG 502 ATOM 502 CA LYS 83 18.908 -1.478 -0.094 1.00 82.63 1SG 503 ATOM 503 CB LYS 83 19.713 -1.319 -1.397 1.00 82.63 1SG 504 ATOM 504 CG LYS 83 21.057 -2.048 -1.407 1.00 82.63 1SG 505 ATOM 505 CD LYS 83 21.637 -2.211 -2.816 1.00 82.63 1SG 506 ATOM 506 CE LYS 83 22.980 -2.942 -2.855 1.00 82.63 1SG 507 ATOM 507 NZ LYS 83 23.446 -3.070 -4.255 1.00 82.63 1SG 508 ATOM 508 C LYS 83 19.472 -0.593 0.964 1.00 82.63 1SG 509 ATOM 509 O LYS 83 20.686 -0.485 1.127 1.00 82.63 1SG 510 ATOM 510 N ASP 84 18.570 0.059 1.724 1.00 77.74 1SG 511 ATOM 511 CA ASP 84 18.958 0.814 2.877 1.00 77.74 1SG 512 ATOM 512 CB ASP 84 18.048 2.030 3.128 1.00 77.74 1SG 513 ATOM 513 CG ASP 84 18.676 2.909 4.200 1.00 77.74 1SG 514 ATOM 514 OD1 ASP 84 19.599 2.423 4.907 1.00 77.74 1SG 515 ATOM 515 OD2 ASP 84 18.236 4.083 4.325 1.00 77.74 1SG 516 ATOM 516 C ASP 84 18.731 -0.180 3.960 1.00 77.74 1SG 517 ATOM 517 O ASP 84 17.631 -0.278 4.503 1.00 77.74 1SG 518 ATOM 518 N GLU 85 19.784 -0.955 4.287 1.00126.49 1SG 519 ATOM 519 CA GLU 85 19.578 -2.098 5.121 1.00126.49 1SG 520 ATOM 520 CB GLU 85 20.913 -2.863 5.289 1.00126.49 1SG 521 ATOM 521 CG GLU 85 20.823 -4.226 5.973 1.00126.49 1SG 522 ATOM 522 CD GLU 85 21.024 -5.293 4.907 1.00126.49 1SG 523 ATOM 523 OE1 GLU 85 21.253 -4.914 3.728 1.00126.49 1SG 524 ATOM 524 OE2 GLU 85 20.970 -6.501 5.261 1.00126.49 1SG 525 ATOM 525 C GLU 85 18.953 -1.700 6.439 1.00126.49 1SG 526 ATOM 526 O GLU 85 17.756 -1.949 6.575 1.00126.49 1SG 527 ATOM 527 N PRO 86 19.565 -1.086 7.431 1.00111.22 1SG 528 ATOM 528 CA PRO 86 18.672 -0.687 8.484 1.00111.22 1SG 529 ATOM 529 CD PRO 86 20.776 -1.661 8.014 1.00111.22 1SG 530 ATOM 530 CB PRO 86 19.212 -1.267 9.788 1.00111.22 1SG 531 ATOM 531 CG PRO 86 20.712 -1.390 9.522 1.00111.22 1SG 532 ATOM 532 C PRO 86 18.626 0.799 8.517 1.00111.22 1SG 533 ATOM 533 O PRO 86 19.517 1.430 7.950 1.00111.22 1SG 534 ATOM 534 N LEU 87 17.604 1.388 9.159 1.00294.45 1SG 535 ATOM 535 CA LEU 87 17.712 2.786 9.430 1.00294.45 1SG 536 ATOM 536 CB LEU 87 17.622 3.725 8.215 1.00294.45 1SG 537 ATOM 537 CG LEU 87 17.836 5.193 8.638 1.00294.45 1SG 538 ATOM 538 CD2 LEU 87 17.632 6.166 7.467 1.00294.45 1SG 539 ATOM 539 CD1 LEU 87 19.207 5.372 9.312 1.00294.45 1SG 540 ATOM 540 C LEU 87 16.618 3.145 10.372 1.00294.45 1SG 541 ATOM 541 O LEU 87 15.482 3.375 9.965 1.00294.45 1SG 542 ATOM 542 N TYR 88 16.942 3.186 11.676 1.00342.29 1SG 543 ATOM 543 CA TYR 88 15.978 3.595 12.649 1.00342.29 1SG 544 ATOM 544 CB TYR 88 15.476 2.483 13.585 1.00342.29 1SG 545 ATOM 545 CG TYR 88 14.680 3.181 14.635 1.00342.29 1SG 546 ATOM 546 CD1 TYR 88 13.376 3.554 14.403 1.00342.29 1SG 547 ATOM 547 CD2 TYR 88 15.244 3.470 15.857 1.00342.29 1SG 548 ATOM 548 CE1 TYR 88 12.647 4.204 15.370 1.00342.29 1SG 549 ATOM 549 CE2 TYR 88 14.520 4.122 16.831 1.00342.29 1SG 550 ATOM 550 CZ TYR 88 13.217 4.490 16.586 1.00342.29 1SG 551 ATOM 551 OH TYR 88 12.462 5.160 17.571 1.00342.29 1SG 552 ATOM 552 C TYR 88 16.656 4.592 13.517 1.00342.29 1SG 553 ATOM 553 O TYR 88 17.835 4.451 13.832 1.00342.29 1SG 554 ATOM 554 N ALA 89 15.928 5.651 13.912 1.00300.54 1SG 555 ATOM 555 CA ALA 89 16.548 6.593 14.785 1.00300.54 1SG 556 ATOM 556 CB ALA 89 17.349 7.677 14.054 1.00300.54 1SG 557 ATOM 557 C ALA 89 15.469 7.270 15.553 1.00300.54 1SG 558 ATOM 558 O ALA 89 14.333 7.386 15.097 1.00300.54 1SG 559 ATOM 559 N TRP 90 15.812 7.711 16.773 1.00344.26 1SG 560 ATOM 560 CA TRP 90 14.886 8.408 17.607 1.00344.26 1SG 561 ATOM 561 CB TRP 90 14.203 7.477 18.621 1.00344.26 1SG 562 ATOM 562 CG TRP 90 13.222 8.128 19.564 1.00344.26 1SG 563 ATOM 563 CD2 TRP 90 11.805 8.214 19.341 1.00344.26 1SG 564 ATOM 564 CD1 TRP 90 13.455 8.682 20.788 1.00344.26 1SG 565 ATOM 565 NE1 TRP 90 12.270 9.091 21.352 1.00344.26 1SG 566 ATOM 566 CE2 TRP 90 11.247 8.809 20.472 1.00344.26 1SG 567 ATOM 567 CE3 TRP 90 11.028 7.804 18.296 1.00344.26 1SG 568 ATOM 568 CZ2 TRP 90 9.899 8.998 20.575 1.00344.26 1SG 569 ATOM 569 CZ3 TRP 90 9.673 8.032 18.387 1.00344.26 1SG 570 ATOM 570 CH2 TRP 90 9.118 8.617 19.507 1.00344.26 1SG 571 ATOM 571 C TRP 90 15.698 9.397 18.367 1.00344.26 1SG 572 ATOM 572 O TRP 90 16.855 9.135 18.693 1.00344.26 1SG 573 ATOM 573 N VAL 91 15.129 10.583 18.646 1.00 70.15 1SG 574 ATOM 574 CA VAL 91 15.879 11.524 19.420 1.00 70.15 1SG 575 ATOM 575 CB VAL 91 16.163 12.815 18.713 1.00 70.15 1SG 576 ATOM 576 CG1 VAL 91 16.944 13.723 19.678 1.00 70.15 1SG 577 ATOM 577 CG2 VAL 91 16.899 12.511 17.398 1.00 70.15 1SG 578 ATOM 578 C VAL 91 15.036 11.866 20.597 1.00 70.15 1SG 579 ATOM 579 O VAL 91 13.848 12.151 20.457 1.00 70.15 1SG 580 ATOM 580 N LEU 92 15.629 11.847 21.803 1.00248.91 1SG 581 ATOM 581 CA LEU 92 14.818 12.174 22.932 1.00248.91 1SG 582 ATOM 582 CB LEU 92 15.185 11.383 24.199 1.00248.91 1SG 583 ATOM 583 CG LEU 92 14.276 11.695 25.401 1.00248.91 1SG 584 ATOM 584 CD2 LEU 92 14.835 11.076 26.694 1.00248.91 1SG 585 ATOM 585 CD1 LEU 92 12.821 11.282 25.116 1.00248.91 1SG 586 ATOM 586 C LEU 92 15.045 13.620 23.202 1.00248.91 1SG 587 ATOM 587 O LEU 92 16.014 14.009 23.853 1.00248.91 1SG 588 ATOM 588 N GLU 93 14.140 14.457 22.675 1.00321.41 1SG 589 ATOM 589 CA GLU 93 14.214 15.875 22.832 1.00321.41 1SG 590 ATOM 590 CB GLU 93 15.572 16.465 22.399 1.00321.41 1SG 591 ATOM 591 CG GLU 93 16.015 17.686 23.219 1.00321.41 1SG 592 ATOM 592 CD GLU 93 15.485 18.979 22.616 1.00321.41 1SG 593 ATOM 593 OE1 GLU 93 15.300 19.033 21.372 1.00321.41 1SG 594 ATOM 594 OE2 GLU 93 15.285 19.945 23.401 1.00321.41 1SG 595 ATOM 595 C GLU 93 13.148 16.325 21.892 1.00321.41 1SG 596 ATOM 596 O GLU 93 12.308 15.514 21.504 1.00321.41 1SG 597 ATOM 597 N ASN 94 13.108 17.606 21.497 1.00189.15 1SG 598 ATOM 598 CA ASN 94 12.065 17.924 20.567 1.00189.15 1SG 599 ATOM 599 CB ASN 94 11.824 19.440 20.407 1.00189.15 1SG 600 ATOM 600 CG ASN 94 11.260 19.995 21.711 1.00189.15 1SG 601 ATOM 601 OD1 ASN 94 10.946 19.250 22.638 1.00189.15 1SG 602 ATOM 602 ND2 ASN 94 11.118 21.347 21.784 1.00189.15 1SG 603 ATOM 603 C ASN 94 12.499 17.390 19.234 1.00189.15 1SG 604 ATOM 604 O ASN 94 13.113 18.107 18.444 1.00189.15 1SG 605 ATOM 605 N ALA 95 12.201 16.101 18.951 1.00304.12 1SG 606 ATOM 606 CA ALA 95 12.571 15.541 17.678 1.00304.12 1SG 607 ATOM 607 CB ALA 95 14.062 15.722 17.350 1.00304.12 1SG 608 ATOM 608 C ALA 95 12.281 14.065 17.679 1.00304.12 1SG 609 ATOM 609 O ALA 95 12.123 13.456 18.737 1.00304.12 1SG 610 ATOM 610 N PHE 96 12.196 13.460 16.468 1.00331.78 1SG 611 ATOM 611 CA PHE 96 11.953 12.048 16.297 1.00331.78 1SG 612 ATOM 612 CB PHE 96 10.457 11.683 16.339 1.00331.78 1SG 613 ATOM 613 CG PHE 96 9.957 12.155 17.669 1.00331.78 1SG 614 ATOM 614 CD1 PHE 96 10.105 11.398 18.808 1.00331.78 1SG 615 ATOM 615 CD2 PHE 96 9.358 13.389 17.786 1.00331.78 1SG 616 ATOM 616 CE1 PHE 96 9.645 11.864 20.021 1.00331.78 1SG 617 ATOM 617 CE2 PHE 96 8.897 13.856 18.997 1.00331.78 1SG 618 ATOM 618 CZ PHE 96 9.036 13.089 20.126 1.00331.78 1SG 619 ATOM 619 C PHE 96 12.536 11.681 14.953 1.00331.78 1SG 620 ATOM 620 O PHE 96 13.042 12.562 14.260 1.00331.78 1SG 621 ATOM 621 N ARG 97 12.504 10.386 14.532 1.00380.62 1SG 622 ATOM 622 CA ARG 97 13.186 10.090 13.294 1.00380.62 1SG 623 ATOM 623 CB ARG 97 14.631 9.620 13.519 1.00380.62 1SG 624 ATOM 624 CG ARG 97 15.544 10.000 12.355 1.00380.62 1SG 625 ATOM 625 CD ARG 97 16.973 10.314 12.800 1.00380.62 1SG 626 ATOM 626 NE ARG 97 17.731 10.783 11.612 1.00380.62 1SG 627 ATOM 627 CZ ARG 97 18.297 9.867 10.776 1.00380.62 1SG 628 ATOM 628 NH1 ARG 97 18.099 8.535 10.999 1.00380.62 1SG 629 ATOM 629 NH2 ARG 97 19.058 10.283 9.724 1.00380.62 1SG 630 ATOM 630 C ARG 97 12.427 9.108 12.431 1.00380.62 1SG 631 ATOM 631 O ARG 97 11.250 8.834 12.666 1.00380.62 1SG 632 ATOM 632 N TYR 98 13.102 8.575 11.380 1.00243.52 1SG 633 ATOM 633 CA TYR 98 12.507 7.772 10.333 1.00243.52 1SG 634 ATOM 634 CB TYR 98 12.776 8.380 8.946 1.00243.52 1SG 635 ATOM 635 CG TYR 98 13.070 7.261 8.026 1.00243.52 1SG 636 ATOM 636 CD1 TYR 98 12.094 6.467 7.470 1.00243.52 1SG 637 ATOM 637 CD2 TYR 98 14.390 7.045 7.721 1.00243.52 1SG 638 ATOM 638 CE1 TYR 98 12.456 5.435 6.635 1.00243.52 1SG 639 ATOM 639 CE2 TYR 98 14.753 6.024 6.893 1.00243.52 1SG 640 ATOM 640 CZ TYR 98 13.789 5.223 6.356 1.00243.52 1SG 641 ATOM 641 OH TYR 98 14.220 4.181 5.520 1.00243.52 1SG 642 ATOM 642 C TYR 98 12.905 6.336 10.325 1.00243.52 1SG 643 ATOM 643 O TYR 98 14.076 5.963 10.255 1.00243.52 1SG 644 ATOM 644 N GLU 99 11.863 5.491 10.384 1.00122.50 1SG 645 ATOM 645 CA GLU 99 11.940 4.072 10.264 1.00122.50 1SG 646 ATOM 646 CB GLU 99 11.973 3.325 11.611 1.00122.50 1SG 647 ATOM 647 CG GLU 99 12.117 1.810 11.445 1.00122.50 1SG 648 ATOM 648 CD GLU 99 12.513 1.197 12.783 1.00122.50 1SG 649 ATOM 649 OE1 GLU 99 11.777 1.408 13.783 1.00122.50 1SG 650 ATOM 650 OE2 GLU 99 13.562 0.498 12.816 1.00122.50 1SG 651 ATOM 651 C GLU 99 10.681 3.722 9.542 1.00122.50 1SG 652 ATOM 652 O GLU 99 9.857 4.598 9.284 1.00122.50 1SG 653 ATOM 653 N LYS 100 10.500 2.447 9.161 1.00 83.05 1SG 654 ATOM 654 CA LYS 100 9.315 2.103 8.430 1.00 83.05 1SG 655 ATOM 655 CB LYS 100 9.408 0.710 7.789 1.00 83.05 1SG 656 ATOM 656 CG LYS 100 8.273 0.360 6.827 1.00 83.05 1SG 657 ATOM 657 CD LYS 100 8.605 -0.870 5.979 1.00 83.05 1SG 658 ATOM 658 CE LYS 100 7.499 -1.295 5.014 1.00 83.05 1SG 659 ATOM 659 NZ LYS 100 8.002 -2.370 4.128 1.00 83.05 1SG 660 ATOM 660 C LYS 100 8.160 2.106 9.380 1.00 83.05 1SG 661 ATOM 661 O LYS 100 8.215 1.514 10.457 1.00 83.05 1SG 662 ATOM 662 N PRO 101 7.119 2.803 9.013 1.00 93.55 1SG 663 ATOM 663 CA PRO 101 5.932 2.832 9.819 1.00 93.55 1SG 664 ATOM 664 CD PRO 101 7.251 4.001 8.203 1.00 93.55 1SG 665 ATOM 665 CB PRO 101 5.122 4.046 9.350 1.00 93.55 1SG 666 ATOM 666 CG PRO 101 5.806 4.498 8.046 1.00 93.55 1SG 667 ATOM 667 C PRO 101 5.200 1.532 9.734 1.00 93.55 1SG 668 ATOM 668 O PRO 101 4.352 1.269 10.586 1.00 93.55 1SG 669 ATOM 669 N LEU 102 5.500 0.709 8.713 1.00 66.17 1SG 670 ATOM 670 CA LEU 102 4.788 -0.522 8.546 1.00 66.17 1SG 671 ATOM 671 CB LEU 102 4.822 -1.038 7.099 1.00 66.17 1SG 672 ATOM 672 CG LEU 102 4.086 -2.374 6.904 1.00 66.17 1SG 673 ATOM 673 CD2 LEU 102 4.427 -2.998 5.542 1.00 66.17 1SG 674 ATOM 674 CD1 LEU 102 2.575 -2.225 7.143 1.00 66.17 1SG 675 ATOM 675 C LEU 102 5.427 -1.575 9.385 1.00 66.17 1SG 676 ATOM 676 O LEU 102 6.557 -1.989 9.135 1.00 66.17 1SG 677 ATOM 677 N HIS 103 4.710 -2.048 10.418 1.00135.55 1SG 678 ATOM 678 CA HIS 103 5.279 -3.101 11.199 1.00135.55 1SG 679 ATOM 679 ND1 HIS 103 7.528 -3.933 13.500 1.00135.55 1SG 680 ATOM 680 CG HIS 103 6.162 -3.761 13.501 1.00135.55 1SG 681 ATOM 681 CB HIS 103 5.439 -2.726 12.686 1.00135.55 1SG 682 ATOM 682 NE2 HIS 103 6.699 -5.450 14.900 1.00135.55 1SG 683 ATOM 683 CD2 HIS 103 5.672 -4.696 14.362 1.00135.55 1SG 684 ATOM 684 CE1 HIS 103 7.795 -4.955 14.353 1.00135.55 1SG 685 ATOM 685 C HIS 103 4.340 -4.260 11.115 1.00135.55 1SG 686 ATOM 686 O HIS 103 4.027 -4.891 12.124 1.00135.55 1SG 687 ATOM 687 N VAL 104 3.841 -4.584 9.906 1.00 63.33 1SG 688 ATOM 688 CA VAL 104 2.979 -5.729 9.884 1.00 63.33 1SG 689 ATOM 689 CB VAL 104 1.532 -5.379 10.056 1.00 63.33 1SG 690 ATOM 690 CG1 VAL 104 0.696 -6.661 9.901 1.00 63.33 1SG 691 ATOM 691 CG2 VAL 104 1.357 -4.681 11.416 1.00 63.33 1SG 692 ATOM 692 C VAL 104 3.102 -6.427 8.569 1.00 63.33 1SG 693 ATOM 693 O VAL 104 2.686 -5.915 7.531 1.00 63.33 1SG 694 ATOM 694 N PRO 105 3.695 -7.587 8.602 1.00129.35 1SG 695 ATOM 695 CA PRO 105 3.744 -8.379 7.401 1.00129.35 1SG 696 ATOM 696 CD PRO 105 4.932 -7.695 9.362 1.00129.35 1SG 697 ATOM 697 CB PRO 105 5.017 -9.218 7.486 1.00129.35 1SG 698 ATOM 698 CG PRO 105 5.921 -8.426 8.443 1.00129.35 1SG 699 ATOM 699 C PRO 105 2.521 -9.240 7.330 1.00129.35 1SG 700 ATOM 700 O PRO 105 1.904 -9.474 8.368 1.00129.35 1SG 701 ATOM 701 N ARG 106 2.137 -9.708 6.125 1.00 65.97 1SG 702 ATOM 702 CA ARG 106 1.068 -10.661 6.039 1.00 65.97 1SG 703 ATOM 703 CB ARG 106 -0.329 -10.049 5.829 1.00 65.97 1SG 704 ATOM 704 CG ARG 106 -1.436 -11.106 5.764 1.00 65.97 1SG 705 ATOM 705 CD ARG 106 -2.842 -10.537 5.554 1.00 65.97 1SG 706 ATOM 706 NE ARG 106 -3.789 -11.687 5.515 1.00 65.97 1SG 707 ATOM 707 CZ ARG 106 -5.133 -11.468 5.415 1.00 65.97 1SG 708 ATOM 708 NH1 ARG 106 -5.614 -10.194 5.329 1.00 65.97 1SG 709 ATOM 709 NH2 ARG 106 -5.998 -12.525 5.399 1.00 65.97 1SG 710 ATOM 710 C ARG 106 1.362 -11.503 4.841 1.00 65.97 1SG 711 ATOM 711 O ARG 106 1.497 -10.986 3.733 1.00 65.97 1SG 712 ATOM 712 N ARG 107 1.490 -12.830 5.027 1.00 91.60 1SG 713 ATOM 713 CA ARG 107 1.760 -13.644 3.881 1.00 91.60 1SG 714 ATOM 714 CB ARG 107 2.100 -15.112 4.206 1.00 91.60 1SG 715 ATOM 715 CG ARG 107 2.616 -15.876 2.982 1.00 91.60 1SG 716 ATOM 716 CD ARG 107 3.114 -17.293 3.280 1.00 91.60 1SG 717 ATOM 717 NE ARG 107 3.576 -17.876 1.988 1.00 91.60 1SG 718 ATOM 718 CZ ARG 107 4.536 -18.847 1.975 1.00 91.60 1SG 719 ATOM 719 NH1 ARG 107 5.065 -19.301 3.148 1.00 91.60 1SG 720 ATOM 720 NH2 ARG 107 4.971 -19.361 0.787 1.00 91.60 1SG 721 ATOM 721 C ARG 107 0.556 -13.602 2.995 1.00 91.60 1SG 722 ATOM 722 O ARG 107 0.679 -13.492 1.776 1.00 91.60 1SG 723 ATOM 723 N PRO 108 -0.616 -13.674 3.569 1.00110.39 1SG 724 ATOM 724 CA PRO 108 -1.786 -13.604 2.742 1.00110.39 1SG 725 ATOM 725 CD PRO 108 -0.829 -14.551 4.713 1.00110.39 1SG 726 ATOM 726 CB PRO 108 -2.937 -14.154 3.581 1.00110.39 1SG 727 ATOM 727 CG PRO 108 -2.242 -15.133 4.541 1.00110.39 1SG 728 ATOM 728 C PRO 108 -1.998 -12.206 2.274 1.00110.39 1SG 729 ATOM 729 O PRO 108 -1.496 -11.279 2.908 1.00110.39 1SG 730 ATOM 730 N GLY 109 -2.726 -12.035 1.156 1.00 4.90 1SG 731 ATOM 731 CA GLY 109 -2.978 -10.720 0.655 1.00 4.90 1SG 732 ATOM 732 C GLY 109 -3.894 -10.873 -0.551 1.00 4.90 1SG 733 ATOM 733 O GLY 109 -4.040 -12.023 -1.044 1.00 4.90 1SG 734 ATOM 734 OXT GLY 109 -4.461 -9.839 -0.995 1.00 4.90 1SG 735 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.739 REMARK SCORE 0.739 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 4 PARENT 1R9C_A ATOM 1 N MET 1 5.427 30.449 48.458 1.00 31.83 1SG 2 ATOM 2 CA MET 1 6.274 31.018 47.388 1.00 31.83 1SG 3 ATOM 3 CB MET 1 7.323 31.970 47.987 1.00 31.83 1SG 4 ATOM 4 CG MET 1 6.705 33.223 48.613 1.00 31.83 1SG 5 ATOM 5 SD MET 1 7.901 34.382 49.341 1.00 31.83 1SG 6 ATOM 6 CE MET 1 6.638 35.546 49.932 1.00 31.83 1SG 7 ATOM 7 C MET 1 6.971 29.933 46.641 1.00 31.83 1SG 8 ATOM 8 O MET 1 6.410 29.351 45.713 1.00 31.83 1SG 9 ATOM 9 N GLU 2 8.224 29.626 47.026 1.00 69.39 1SG 10 ATOM 10 CA GLU 2 8.924 28.601 46.315 1.00 69.39 1SG 11 ATOM 11 CB GLU 2 9.940 29.144 45.296 1.00 69.39 1SG 12 ATOM 12 CG GLU 2 10.434 28.081 44.314 1.00 69.39 1SG 13 ATOM 13 CD GLU 2 11.193 28.787 43.201 1.00 69.39 1SG 14 ATOM 14 OE1 GLU 2 11.257 30.045 43.235 1.00 69.39 1SG 15 ATOM 15 OE2 GLU 2 11.715 28.078 42.300 1.00 69.39 1SG 16 ATOM 16 C GLU 2 9.644 27.735 47.301 1.00 69.39 1SG 17 ATOM 17 O GLU 2 9.582 27.956 48.509 1.00 69.39 1SG 18 ATOM 18 N ARG 3 10.329 26.697 46.778 1.00 78.11 1SG 19 ATOM 19 CA ARG 3 11.047 25.731 47.561 1.00 78.11 1SG 20 ATOM 20 CB ARG 3 11.422 24.504 46.713 1.00 78.11 1SG 21 ATOM 21 CG ARG 3 12.438 23.548 47.336 1.00 78.11 1SG 22 ATOM 22 CD ARG 3 12.863 22.457 46.349 1.00 78.11 1SG 23 ATOM 23 NE ARG 3 14.066 21.770 46.895 1.00 78.11 1SG 24 ATOM 24 CZ ARG 3 14.821 20.982 46.074 1.00 78.11 1SG 25 ATOM 25 NH1 ARG 3 14.445 20.803 44.773 1.00 78.11 1SG 26 ATOM 26 NH2 ARG 3 15.948 20.383 46.553 1.00 78.11 1SG 27 ATOM 27 C ARG 3 12.312 26.359 48.049 1.00 78.11 1SG 28 ATOM 28 O ARG 3 13.290 26.504 47.318 1.00 78.11 1SG 29 ATOM 29 N PRO 4 12.284 26.731 49.297 1.00 67.68 1SG 30 ATOM 30 CA PRO 4 13.395 27.382 49.931 1.00 67.68 1SG 31 ATOM 31 CD PRO 4 11.375 26.132 50.261 1.00 67.68 1SG 32 ATOM 32 CB PRO 4 12.985 27.551 51.392 1.00 67.68 1SG 33 ATOM 33 CG PRO 4 12.048 26.352 51.628 1.00 67.68 1SG 34 ATOM 34 C PRO 4 14.670 26.604 49.813 1.00 67.68 1SG 35 ATOM 35 O PRO 4 15.680 27.198 49.441 1.00 67.68 1SG 36 ATOM 36 N LYS 5 14.662 25.291 50.122 1.00 78.88 1SG 37 ATOM 37 CA LYS 5 15.894 24.558 50.061 1.00 78.88 1SG 38 ATOM 38 CB LYS 5 17.018 25.224 50.874 1.00 78.88 1SG 39 ATOM 39 CG LYS 5 16.680 25.343 52.363 1.00 78.88 1SG 40 ATOM 40 CD LYS 5 17.886 25.679 53.243 1.00 78.88 1SG 41 ATOM 41 CE LYS 5 17.555 25.808 54.732 1.00 78.88 1SG 42 ATOM 42 NZ LYS 5 18.781 26.133 55.497 1.00 78.88 1SG 43 ATOM 43 C LYS 5 15.665 23.215 50.677 1.00 78.88 1SG 44 ATOM 44 O LYS 5 14.607 22.954 51.248 1.00 78.88 1SG 45 ATOM 45 N LEU 6 16.658 22.316 50.546 1.00149.86 1SG 46 ATOM 46 CA LEU 6 16.591 21.033 51.178 1.00149.86 1SG 47 ATOM 47 CB LEU 6 16.699 19.847 50.195 1.00149.86 1SG 48 ATOM 48 CG LEU 6 17.758 20.019 49.085 1.00149.86 1SG 49 ATOM 49 CD2 LEU 6 17.757 18.817 48.129 1.00149.86 1SG 50 ATOM 50 CD1 LEU 6 19.164 20.252 49.652 1.00149.86 1SG 51 ATOM 51 C LEU 6 17.734 20.960 52.141 1.00149.86 1SG 52 ATOM 52 O LEU 6 18.737 21.659 51.992 1.00149.86 1SG 53 ATOM 53 N GLY 7 17.595 20.141 53.201 1.00 21.58 1SG 54 ATOM 54 CA GLY 7 18.702 19.990 54.097 1.00 21.58 1SG 55 ATOM 55 C GLY 7 19.117 18.556 54.026 1.00 21.58 1SG 56 ATOM 56 O GLY 7 18.279 17.656 54.012 1.00 21.58 1SG 57 ATOM 57 N LEU 8 20.444 18.322 53.956 1.00 93.02 1SG 58 ATOM 58 CA LEU 8 20.948 16.982 53.917 1.00 93.02 1SG 59 ATOM 59 CB LEU 8 21.589 16.573 52.591 1.00 93.02 1SG 60 ATOM 60 CG LEU 8 20.548 16.427 51.480 1.00 93.02 1SG 61 ATOM 61 CD2 LEU 8 21.127 15.742 50.242 1.00 93.02 1SG 62 ATOM 62 CD1 LEU 8 19.888 17.769 51.153 1.00 93.02 1SG 63 ATOM 63 C LEU 8 22.037 16.815 54.908 1.00 93.02 1SG 64 ATOM 64 O LEU 8 22.881 17.687 55.115 1.00 93.02 1SG 65 ATOM 65 N ILE 9 22.037 15.632 55.538 1.00 93.85 1SG 66 ATOM 66 CA ILE 9 23.098 15.300 56.423 1.00 93.85 1SG 67 ATOM 67 CB ILE 9 22.636 14.651 57.689 1.00 93.85 1SG 68 ATOM 68 CG2 ILE 9 23.898 14.284 58.484 1.00 93.85 1SG 69 ATOM 69 CG1 ILE 9 21.688 15.587 58.463 1.00 93.85 1SG 70 ATOM 70 CD1 ILE 9 22.361 16.893 58.886 1.00 93.85 1SG 71 ATOM 71 C ILE 9 23.898 14.308 55.648 1.00 93.85 1SG 72 ATOM 72 O ILE 9 23.394 13.244 55.289 1.00 93.85 1SG 73 ATOM 73 N VAL 10 25.178 14.622 55.387 1.00120.01 1SG 74 ATOM 74 CA VAL 10 25.923 13.798 54.486 1.00120.01 1SG 75 ATOM 75 CB VAL 10 26.149 14.470 53.164 1.00120.01 1SG 76 ATOM 76 CG1 VAL 10 24.783 14.746 52.520 1.00120.01 1SG 77 ATOM 77 CG2 VAL 10 26.987 15.741 53.395 1.00120.01 1SG 78 ATOM 78 C VAL 10 27.276 13.543 55.039 1.00120.01 1SG 79 ATOM 79 O VAL 10 27.599 13.923 56.165 1.00120.01 1SG 80 ATOM 80 N ARG 11 28.082 12.826 54.235 1.00132.81 1SG 81 ATOM 81 CA ARG 11 29.422 12.520 54.609 1.00132.81 1SG 82 ATOM 82 CB ARG 11 29.661 11.008 54.790 1.00132.81 1SG 83 ATOM 83 CG ARG 11 28.948 10.454 56.026 1.00132.81 1SG 84 ATOM 84 CD ARG 11 29.285 9.000 56.372 1.00132.81 1SG 85 ATOM 85 NE ARG 11 28.573 8.106 55.415 1.00132.81 1SG 86 ATOM 86 CZ ARG 11 28.496 6.768 55.678 1.00132.81 1SG 87 ATOM 87 NH1 ARG 11 29.082 6.261 56.802 1.00132.81 1SG 88 ATOM 88 NH2 ARG 11 27.832 5.934 54.825 1.00132.81 1SG 89 ATOM 89 C ARG 11 30.354 12.994 53.529 1.00132.81 1SG 90 ATOM 90 O ARG 11 31.482 13.382 53.831 1.00132.81 1SG 91 ATOM 91 N GLU 12 29.928 13.022 52.242 1.00 95.98 1SG 92 ATOM 92 CA GLU 12 30.934 13.337 51.261 1.00 95.98 1SG 93 ATOM 93 CB GLU 12 31.702 12.058 50.853 1.00 95.98 1SG 94 ATOM 94 CG GLU 12 32.442 11.500 52.079 1.00 95.98 1SG 95 ATOM 95 CD GLU 12 33.600 10.618 51.655 1.00 95.98 1SG 96 ATOM 96 OE1 GLU 12 34.480 11.124 50.910 1.00 95.98 1SG 97 ATOM 97 OE2 GLU 12 33.622 9.427 52.065 1.00 95.98 1SG 98 ATOM 98 C GLU 12 30.405 14.124 50.066 1.00 95.98 1SG 99 ATOM 99 O GLU 12 29.222 14.449 49.967 1.00 95.98 1SG 100 ATOM 100 N PRO 13 31.338 14.448 49.177 1.00158.75 1SG 101 ATOM 101 CA PRO 13 31.144 15.294 47.998 1.00158.75 1SG 102 ATOM 102 CD PRO 13 32.680 14.660 49.717 1.00158.75 1SG 103 ATOM 103 CB PRO 13 32.534 15.782 47.589 1.00158.75 1SG 104 ATOM 104 CG PRO 13 33.329 15.780 48.897 1.00158.75 1SG 105 ATOM 105 C PRO 13 30.364 14.855 46.780 1.00158.75 1SG 106 ATOM 106 O PRO 13 30.604 15.422 45.715 1.00158.75 1SG 107 ATOM 107 N TYR 14 29.430 13.898 46.880 1.00180.19 1SG 108 ATOM 108 CA TYR 14 28.698 13.337 45.766 1.00180.19 1SG 109 ATOM 109 CB TYR 14 27.605 12.399 46.310 1.00180.19 1SG 110 ATOM 110 CG TYR 14 26.590 12.059 45.276 1.00180.19 1SG 111 ATOM 111 CD1 TYR 14 26.766 10.998 44.418 1.00180.19 1SG 112 ATOM 112 CD2 TYR 14 25.441 12.811 45.185 1.00180.19 1SG 113 ATOM 113 CE1 TYR 14 25.805 10.697 43.481 1.00180.19 1SG 114 ATOM 114 CE2 TYR 14 24.478 12.516 44.252 1.00180.19 1SG 115 ATOM 115 CZ TYR 14 24.662 11.456 43.399 1.00180.19 1SG 116 ATOM 116 OH TYR 14 23.675 11.147 42.443 1.00180.19 1SG 117 ATOM 117 C TYR 14 28.031 14.386 44.905 1.00180.19 1SG 118 ATOM 118 O TYR 14 28.036 14.275 43.679 1.00180.19 1SG 119 ATOM 119 N ALA 15 27.460 15.445 45.501 1.00 41.86 1SG 120 ATOM 120 CA ALA 15 26.661 16.387 44.760 1.00 41.86 1SG 121 ATOM 121 CB ALA 15 26.125 17.525 45.645 1.00 41.86 1SG 122 ATOM 122 C ALA 15 27.409 17.036 43.627 1.00 41.86 1SG 123 ATOM 123 O ALA 15 26.839 17.258 42.560 1.00 41.86 1SG 124 ATOM 124 N SER 16 28.694 17.376 43.805 1.00 74.20 1SG 125 ATOM 125 CA SER 16 29.348 18.125 42.768 1.00 74.20 1SG 126 ATOM 126 CB SER 16 30.802 18.488 43.106 1.00 74.20 1SG 127 ATOM 127 OG SER 16 31.379 19.214 42.030 1.00 74.20 1SG 128 ATOM 128 C SER 16 29.375 17.396 41.459 1.00 74.20 1SG 129 ATOM 129 O SER 16 28.945 17.934 40.441 1.00 74.20 1SG 130 ATOM 130 N LEU 17 29.878 16.151 41.438 1.00133.95 1SG 131 ATOM 131 CA LEU 17 30.042 15.514 40.163 1.00133.95 1SG 132 ATOM 132 CB LEU 17 30.778 14.170 40.235 1.00133.95 1SG 133 ATOM 133 CG LEU 17 30.928 13.505 38.853 1.00133.95 1SG 134 ATOM 134 CD2 LEU 17 31.403 12.054 38.981 1.00133.95 1SG 135 ATOM 135 CD1 LEU 17 31.841 14.319 37.928 1.00133.95 1SG 136 ATOM 136 C LEU 17 28.737 15.259 39.475 1.00133.95 1SG 137 ATOM 137 O LEU 17 28.595 15.580 38.294 1.00133.95 1SG 138 ATOM 138 N ILE 18 27.745 14.676 40.176 1.00110.27 1SG 139 ATOM 139 CA ILE 18 26.543 14.319 39.472 1.00110.27 1SG 140 ATOM 140 CB ILE 18 25.594 13.437 40.226 1.00110.27 1SG 141 ATOM 141 CG2 ILE 18 25.139 14.161 41.504 1.00110.27 1SG 142 ATOM 142 CG1 ILE 18 24.440 13.066 39.276 1.00110.27 1SG 143 ATOM 143 CD1 ILE 18 23.497 11.988 39.800 1.00110.27 1SG 144 ATOM 144 C ILE 18 25.736 15.498 39.023 1.00110.27 1SG 145 ATOM 145 O ILE 18 25.346 15.566 37.857 1.00110.27 1SG 146 ATOM 146 N VAL 19 25.474 16.474 39.913 1.00114.76 1SG 147 ATOM 147 CA VAL 19 24.547 17.488 39.496 1.00114.76 1SG 148 ATOM 148 CB VAL 19 23.552 17.786 40.594 1.00114.76 1SG 149 ATOM 149 CG1 VAL 19 22.543 18.865 40.160 1.00114.76 1SG 150 ATOM 150 CG2 VAL 19 22.875 16.459 40.968 1.00114.76 1SG 151 ATOM 151 C VAL 19 25.309 18.731 39.149 1.00114.76 1SG 152 ATOM 152 O VAL 19 24.726 19.754 38.794 1.00114.76 1SG 153 ATOM 153 N ASP 20 26.655 18.649 39.151 1.00197.03 1SG 154 ATOM 154 CA ASP 20 27.433 19.808 38.831 1.00197.03 1SG 155 ATOM 155 CB ASP 20 27.203 20.278 37.380 1.00197.03 1SG 156 ATOM 156 CG ASP 20 28.188 21.385 37.036 1.00197.03 1SG 157 ATOM 157 OD1 ASP 20 29.011 21.748 37.919 1.00197.03 1SG 158 ATOM 158 OD2 ASP 20 28.126 21.886 35.882 1.00197.03 1SG 159 ATOM 159 C ASP 20 27.008 20.901 39.761 1.00197.03 1SG 160 ATOM 160 O ASP 20 26.887 22.057 39.359 1.00197.03 1SG 161 ATOM 161 N GLY 21 26.767 20.555 41.043 1.00 79.99 1SG 162 ATOM 162 CA GLY 21 26.336 21.549 41.981 1.00 79.99 1SG 163 ATOM 163 C GLY 21 27.467 22.508 42.136 1.00 79.99 1SG 164 ATOM 164 O GLY 21 28.632 22.132 42.025 1.00 79.99 1SG 165 ATOM 165 N ARG 22 27.138 23.787 42.397 1.00102.69 1SG 166 ATOM 166 CA ARG 22 28.166 24.769 42.561 1.00102.69 1SG 167 ATOM 167 CB ARG 22 27.887 26.088 41.815 1.00102.69 1SG 168 ATOM 168 CG ARG 22 29.046 27.088 41.871 1.00102.69 1SG 169 ATOM 169 CD ARG 22 28.757 28.413 41.161 1.00102.69 1SG 170 ATOM 170 NE ARG 22 28.430 29.429 42.202 1.00102.69 1SG 171 ATOM 171 CZ ARG 22 29.431 30.169 42.764 1.00102.69 1SG 172 ATOM 172 NH1 ARG 22 30.722 29.984 42.364 1.00102.69 1SG 173 ATOM 173 NH2 ARG 22 29.142 31.099 43.722 1.00102.69 1SG 174 ATOM 174 C ARG 22 28.218 25.096 44.014 1.00102.69 1SG 175 ATOM 175 O ARG 22 27.199 25.410 44.628 1.00102.69 1SG 176 ATOM 176 N LYS 23 29.420 25.008 44.611 1.00 76.00 1SG 177 ATOM 177 CA LYS 23 29.541 25.320 46.000 1.00 76.00 1SG 178 ATOM 178 CB LYS 23 30.821 24.744 46.628 1.00 76.00 1SG 179 ATOM 179 CG LYS 23 30.964 24.999 48.128 1.00 76.00 1SG 180 ATOM 180 CD LYS 23 32.056 24.141 48.769 1.00 76.00 1SG 181 ATOM 181 CE LYS 23 32.230 24.369 50.270 1.00 76.00 1SG 182 ATOM 182 NZ LYS 23 33.290 23.478 50.790 1.00 76.00 1SG 183 ATOM 183 C LYS 23 29.616 26.805 46.094 1.00 76.00 1SG 184 ATOM 184 O LYS 23 30.448 27.430 45.438 1.00 76.00 1SG 185 ATOM 185 N VAL 24 28.731 27.420 46.901 1.00151.74 1SG 186 ATOM 186 CA VAL 24 28.811 28.844 46.997 1.00151.74 1SG 187 ATOM 187 CB VAL 24 27.517 29.519 46.644 1.00151.74 1SG 188 ATOM 188 CG1 VAL 24 27.174 29.209 45.177 1.00151.74 1SG 189 ATOM 189 CG2 VAL 24 26.444 29.063 47.646 1.00151.74 1SG 190 ATOM 190 C VAL 24 29.095 29.201 48.418 1.00151.74 1SG 191 ATOM 191 O VAL 24 28.783 30.310 48.846 1.00151.74 1SG 192 ATOM 192 N TRP 25 29.711 28.284 49.192 1.00127.40 1SG 193 ATOM 193 CA TRP 25 30.005 28.645 50.547 1.00127.40 1SG 194 ATOM 194 CB TRP 25 28.745 29.099 51.304 1.00127.40 1SG 195 ATOM 195 CG TRP 25 28.978 29.499 52.733 1.00127.40 1SG 196 ATOM 196 CD2 TRP 25 29.104 28.552 53.792 1.00127.40 1SG 197 ATOM 197 CD1 TRP 25 29.119 30.736 53.293 1.00127.40 1SG 198 ATOM 198 NE1 TRP 25 29.321 30.612 54.647 1.00127.40 1SG 199 ATOM 199 CE2 TRP 25 29.317 29.269 54.966 1.00127.40 1SG 200 ATOM 200 CE3 TRP 25 29.046 27.188 53.783 1.00127.40 1SG 201 ATOM 201 CZ2 TRP 25 29.481 28.633 56.158 1.00127.40 1SG 202 ATOM 202 CZ3 TRP 25 29.210 26.546 54.984 1.00127.40 1SG 203 ATOM 203 CH2 TRP 25 29.423 27.258 56.144 1.00127.40 1SG 204 ATOM 204 C TRP 25 30.574 27.437 51.230 1.00127.40 1SG 205 ATOM 205 O TRP 25 30.302 26.307 50.829 1.00127.40 1SG 206 ATOM 206 N GLU 26 31.409 27.641 52.272 1.00 80.65 1SG 207 ATOM 207 CA GLU 26 31.931 26.509 52.986 1.00 80.65 1SG 208 ATOM 208 CB GLU 26 33.307 26.003 52.526 1.00 80.65 1SG 209 ATOM 209 CG GLU 26 33.754 24.798 53.359 1.00 80.65 1SG 210 ATOM 210 CD GLU 26 35.120 24.321 52.890 1.00 80.65 1SG 211 ATOM 211 OE1 GLU 26 35.672 24.927 51.934 1.00 80.65 1SG 212 ATOM 212 OE2 GLU 26 35.632 23.338 53.491 1.00 80.65 1SG 213 ATOM 213 C GLU 26 32.099 26.879 54.423 1.00 80.65 1SG 214 ATOM 214 O GLU 26 32.366 28.030 54.762 1.00 80.65 1SG 215 ATOM 215 N ILE 27 31.933 25.878 55.304 1.00 91.96 1SG 216 ATOM 216 CA ILE 27 32.049 26.054 56.720 1.00 91.96 1SG 217 ATOM 217 CB ILE 27 31.662 24.824 57.495 1.00 91.96 1SG 218 ATOM 218 CG2 ILE 27 32.503 23.643 56.984 1.00 91.96 1SG 219 ATOM 219 CG1 ILE 27 31.802 25.070 59.007 1.00 91.96 1SG 220 ATOM 220 CD1 ILE 27 31.070 24.035 59.862 1.00 91.96 1SG 221 ATOM 221 C ILE 27 33.450 26.384 57.096 1.00 91.96 1SG 222 ATOM 222 O ILE 27 33.699 27.282 57.897 1.00 91.96 1SG 223 ATOM 223 N ARG 28 34.407 25.673 56.490 1.00119.76 1SG 224 ATOM 224 CA ARG 28 35.773 25.776 56.892 1.00119.76 1SG 225 ATOM 225 CB ARG 28 36.628 24.678 56.246 1.00119.76 1SG 226 ATOM 226 CG ARG 28 36.138 23.331 56.793 1.00119.76 1SG 227 ATOM 227 CD ARG 28 36.858 22.070 56.322 1.00119.76 1SG 228 ATOM 228 NE ARG 28 36.171 20.940 57.014 1.00119.76 1SG 229 ATOM 229 CZ ARG 28 36.286 19.659 56.557 1.00119.76 1SG 230 ATOM 230 NH1 ARG 28 37.062 19.389 55.467 1.00119.76 1SG 231 ATOM 231 NH2 ARG 28 35.621 18.649 57.190 1.00119.76 1SG 232 ATOM 232 C ARG 28 36.301 27.157 56.669 1.00119.76 1SG 233 ATOM 233 O ARG 28 37.120 27.633 57.454 1.00119.76 1SG 234 ATOM 234 N ARG 29 35.850 27.853 55.610 1.00 88.42 1SG 235 ATOM 235 CA ARG 29 36.356 29.182 55.409 1.00 88.42 1SG 236 ATOM 236 CB ARG 29 35.727 29.911 54.211 1.00 88.42 1SG 237 ATOM 237 CG ARG 29 36.246 31.344 54.060 1.00 88.42 1SG 238 ATOM 238 CD ARG 29 35.448 32.197 53.071 1.00 88.42 1SG 239 ATOM 239 NE ARG 29 36.060 33.557 53.054 1.00 88.42 1SG 240 ATOM 240 CZ ARG 29 35.681 34.466 52.109 1.00 88.42 1SG 241 ATOM 241 NH1 ARG 29 34.747 34.128 51.172 1.00 88.42 1SG 242 ATOM 242 NH2 ARG 29 36.234 35.714 52.099 1.00 88.42 1SG 243 ATOM 243 C ARG 29 36.012 30.000 56.614 1.00 88.42 1SG 244 ATOM 244 O ARG 29 36.861 30.709 57.153 1.00 88.42 1SG 245 ATOM 245 N ARG 30 34.754 29.903 57.083 1.00102.70 1SG 246 ATOM 246 CA ARG 30 34.342 30.653 58.235 1.00102.70 1SG 247 ATOM 247 CB ARG 30 32.838 30.698 58.537 1.00102.70 1SG 248 ATOM 248 CG ARG 30 31.900 31.469 57.617 1.00102.70 1SG 249 ATOM 249 CD ARG 30 30.646 31.846 58.411 1.00102.70 1SG 250 ATOM 250 NE ARG 30 29.497 32.027 57.487 1.00102.70 1SG 251 ATOM 251 CZ ARG 30 28.258 32.211 58.029 1.00102.70 1SG 252 ATOM 252 NH1 ARG 30 28.127 32.358 59.381 1.00102.70 1SG 253 ATOM 253 NH2 ARG 30 27.154 32.238 57.229 1.00102.70 1SG 254 ATOM 254 C ARG 30 34.826 29.907 59.418 1.00102.70 1SG 255 ATOM 255 O ARG 30 35.483 28.874 59.302 1.00102.70 1SG 256 ATOM 256 N LYS 31 34.534 30.455 60.609 1.00 83.18 1SG 257 ATOM 257 CA LYS 31 34.854 29.706 61.773 1.00 83.18 1SG 258 ATOM 258 CB LYS 31 35.319 30.612 62.931 1.00 83.18 1SG 259 ATOM 259 CG LYS 31 36.294 29.952 63.911 1.00 83.18 1SG 260 ATOM 260 CD LYS 31 37.123 30.976 64.696 1.00 83.18 1SG 261 ATOM 261 CE LYS 31 38.380 30.400 65.355 1.00 83.18 1SG 262 ATOM 262 NZ LYS 31 39.302 31.497 65.732 1.00 83.18 1SG 263 ATOM 263 C LYS 31 33.569 28.996 62.113 1.00 83.18 1SG 264 ATOM 264 O LYS 31 32.680 29.554 62.756 1.00 83.18 1SG 265 ATOM 265 N THR 32 33.467 27.730 61.656 1.00165.20 1SG 266 ATOM 266 CA THR 32 32.377 26.795 61.818 1.00165.20 1SG 267 ATOM 267 CB THR 32 32.442 25.999 63.097 1.00165.20 1SG 268 ATOM 268 OG1 THR 32 31.462 24.970 63.074 1.00165.20 1SG 269 ATOM 269 CG2 THR 32 32.229 26.920 64.308 1.00165.20 1SG 270 ATOM 270 C THR 32 30.977 27.334 61.604 1.00165.20 1SG 271 ATOM 271 O THR 32 30.305 27.749 62.546 1.00165.20 1SG 272 ATOM 272 N ARG 33 30.509 27.369 60.328 1.00197.48 1SG 273 ATOM 273 CA ARG 33 29.129 27.683 60.025 1.00197.48 1SG 274 ATOM 274 CB ARG 33 28.786 29.142 59.704 1.00197.48 1SG 275 ATOM 275 CG ARG 33 28.315 29.938 60.928 1.00197.48 1SG 276 ATOM 276 CD ARG 33 27.548 29.138 62.002 1.00197.48 1SG 277 ATOM 277 NE ARG 33 26.662 28.111 61.366 1.00197.48 1SG 278 ATOM 278 CZ ARG 33 25.491 28.418 60.734 1.00197.48 1SG 279 ATOM 279 NH1 ARG 33 25.077 29.712 60.619 1.00197.48 1SG 280 ATOM 280 NH2 ARG 33 24.744 27.415 60.188 1.00197.48 1SG 281 ATOM 281 C ARG 33 28.597 26.802 58.921 1.00197.48 1SG 282 ATOM 282 O ARG 33 29.188 25.770 58.618 1.00197.48 1SG 283 ATOM 283 N HIS 34 27.444 27.157 58.290 1.00237.27 1SG 284 ATOM 284 CA HIS 34 26.889 26.230 57.325 1.00237.27 1SG 285 ATOM 285 ND1 HIS 34 26.585 24.636 60.188 1.00237.27 1SG 286 ATOM 286 CG HIS 34 26.310 24.365 58.866 1.00237.27 1SG 287 ATOM 287 CB HIS 34 25.757 25.364 57.894 1.00237.27 1SG 288 ATOM 288 NE2 HIS 34 27.191 22.526 59.834 1.00237.27 1SG 289 ATOM 289 CD2 HIS 34 26.684 23.071 58.668 1.00237.27 1SG 290 ATOM 290 CE1 HIS 34 27.111 23.503 60.719 1.00237.27 1SG 291 ATOM 291 C HIS 34 26.435 26.853 56.024 1.00237.27 1SG 292 ATOM 292 O HIS 34 26.821 27.964 55.668 1.00237.27 1SG 293 ATOM 293 N ARG 35 25.584 26.100 55.276 1.00278.95 1SG 294 ATOM 294 CA ARG 35 25.223 26.391 53.909 1.00278.95 1SG 295 ATOM 295 CB ARG 35 25.565 25.189 53.005 1.00278.95 1SG 296 ATOM 296 CG ARG 35 25.402 25.377 51.496 1.00278.95 1SG 297 ATOM 297 CD ARG 35 24.106 24.774 50.952 1.00278.95 1SG 298 ATOM 298 NE ARG 35 24.219 24.745 49.468 1.00278.95 1SG 299 ATOM 299 CZ ARG 35 23.804 25.811 48.725 1.00278.95 1SG 300 ATOM 300 NH1 ARG 35 23.277 26.908 49.341 1.00278.95 1SG 301 ATOM 301 NH2 ARG 35 23.916 25.778 47.365 1.00278.95 1SG 302 ATOM 302 C ARG 35 23.759 26.718 53.751 1.00278.95 1SG 303 ATOM 303 O ARG 35 22.984 26.689 54.710 1.00278.95 1SG 304 ATOM 304 N GLY 36 23.367 27.048 52.496 1.00174.50 1SG 305 ATOM 305 CA GLY 36 22.061 27.511 52.102 1.00174.50 1SG 306 ATOM 306 C GLY 36 21.207 26.400 51.558 1.00174.50 1SG 307 ATOM 307 O GLY 36 21.011 25.360 52.185 1.00174.50 1SG 308 ATOM 308 N PRO 37 20.671 26.665 50.386 1.00253.86 1SG 309 ATOM 309 CA PRO 37 19.715 25.815 49.717 1.00253.86 1SG 310 ATOM 310 CD PRO 37 20.610 28.033 49.896 1.00253.86 1SG 311 ATOM 311 CB PRO 37 19.351 26.547 48.428 1.00253.86 1SG 312 ATOM 312 CG PRO 37 19.529 28.031 48.800 1.00253.86 1SG 313 ATOM 313 C PRO 37 20.043 24.370 49.519 1.00253.86 1SG 314 ATOM 314 O PRO 37 19.172 23.542 49.780 1.00253.86 1SG 315 ATOM 315 N LEU 38 21.242 24.016 49.035 1.00128.18 1SG 316 ATOM 316 CA LEU 38 21.512 22.612 48.990 1.00128.18 1SG 317 ATOM 317 CB LEU 38 22.246 22.164 47.715 1.00128.18 1SG 318 ATOM 318 CG LEU 38 22.542 20.651 47.668 1.00128.18 1SG 319 ATOM 319 CD2 LEU 38 23.522 20.304 46.535 1.00128.18 1SG 320 ATOM 320 CD1 LEU 38 21.250 19.826 47.600 1.00128.18 1SG 321 ATOM 321 C LEU 38 22.438 22.418 50.132 1.00128.18 1SG 322 ATOM 322 O LEU 38 23.632 22.183 49.953 1.00128.18 1SG 323 ATOM 323 N GLY 39 21.887 22.522 51.353 1.00 69.42 1SG 324 ATOM 324 CA GLY 39 22.722 22.446 52.505 1.00 69.42 1SG 325 ATOM 325 C GLY 39 23.080 21.028 52.749 1.00 69.42 1SG 326 ATOM 326 O GLY 39 22.257 20.125 52.616 1.00 69.42 1SG 327 ATOM 327 N ILE 40 24.355 20.811 53.111 1.00 46.55 1SG 328 ATOM 328 CA ILE 40 24.783 19.511 53.504 1.00 46.55 1SG 329 ATOM 329 CB ILE 40 25.702 18.834 52.525 1.00 46.55 1SG 330 ATOM 330 CG2 ILE 40 24.930 18.645 51.209 1.00 46.55 1SG 331 ATOM 331 CG1 ILE 40 27.017 19.615 52.368 1.00 46.55 1SG 332 ATOM 332 CD1 ILE 40 28.107 18.826 51.643 1.00 46.55 1SG 333 ATOM 333 C ILE 40 25.534 19.725 54.772 1.00 46.55 1SG 334 ATOM 334 O ILE 40 26.392 20.604 54.851 1.00 46.55 1SG 335 ATOM 335 N VAL 41 25.215 18.948 55.818 1.00 22.33 1SG 336 ATOM 336 CA VAL 41 25.924 19.131 57.045 1.00 22.33 1SG 337 ATOM 337 CB VAL 41 25.042 19.531 58.191 1.00 22.33 1SG 338 ATOM 338 CG1 VAL 41 25.898 19.599 59.465 1.00 22.33 1SG 339 ATOM 339 CG2 VAL 41 24.348 20.857 57.835 1.00 22.33 1SG 340 ATOM 340 C VAL 41 26.525 17.813 57.378 1.00 22.33 1SG 341 ATOM 341 O VAL 41 25.950 16.768 57.077 1.00 22.33 1SG 342 ATOM 342 N SER 42 27.720 17.826 57.993 1.00 58.97 1SG 343 ATOM 343 CA SER 42 28.310 16.573 58.336 1.00 58.97 1SG 344 ATOM 344 CB SER 42 29.691 16.692 59.002 1.00 58.97 1SG 345 ATOM 345 OG SER 42 30.196 15.400 59.308 1.00 58.97 1SG 346 ATOM 346 C SER 42 27.381 15.958 59.317 1.00 58.97 1SG 347 ATOM 347 O SER 42 26.752 16.654 60.115 1.00 58.97 1SG 348 ATOM 348 N GLY 43 27.252 14.624 59.272 1.00 19.77 1SG 349 ATOM 349 CA GLY 43 26.339 14.022 60.189 1.00 19.77 1SG 350 ATOM 350 C GLY 43 26.273 12.572 59.875 1.00 19.77 1SG 351 ATOM 351 O GLY 43 26.967 12.080 58.986 1.00 19.77 1SG 352 ATOM 352 N GLY 44 25.402 11.856 60.608 1.00 17.21 1SG 353 ATOM 353 CA GLY 44 25.298 10.443 60.437 1.00 17.21 1SG 354 ATOM 354 C GLY 44 24.569 10.167 59.171 1.00 17.21 1SG 355 ATOM 355 O GLY 44 23.901 11.031 58.605 1.00 17.21 1SG 356 ATOM 356 N ARG 45 24.708 8.915 58.706 1.00 98.57 1SG 357 ATOM 357 CA ARG 45 24.094 8.422 57.516 1.00 98.57 1SG 358 ATOM 358 CB ARG 45 24.826 7.189 56.964 1.00 98.57 1SG 359 ATOM 359 CG ARG 45 24.118 6.550 55.776 1.00 98.57 1SG 360 ATOM 360 CD ARG 45 24.809 5.308 55.214 1.00 98.57 1SG 361 ATOM 361 NE ARG 45 23.954 4.799 54.105 1.00 98.57 1SG 362 ATOM 362 CZ ARG 45 24.458 3.905 53.206 1.00 98.57 1SG 363 ATOM 363 NH1 ARG 45 25.748 3.475 53.311 1.00 98.57 1SG 364 ATOM 364 NH2 ARG 45 23.661 3.447 52.196 1.00 98.57 1SG 365 ATOM 365 C ARG 45 22.701 8.006 57.869 1.00 98.57 1SG 366 ATOM 366 O ARG 45 22.382 7.792 59.038 1.00 98.57 1SG 367 ATOM 367 N LEU 46 21.825 7.905 56.852 1.00 30.80 1SG 368 ATOM 368 CA LEU 46 20.481 7.479 57.111 1.00 30.80 1SG 369 ATOM 369 CB LEU 46 19.532 7.605 55.907 1.00 30.80 1SG 370 ATOM 370 CG LEU 46 19.222 9.057 55.504 1.00 30.80 1SG 371 ATOM 371 CD2 LEU 46 18.700 9.867 56.701 1.00 30.80 1SG 372 ATOM 372 CD1 LEU 46 18.268 9.105 54.300 1.00 30.80 1SG 373 ATOM 373 C LEU 46 20.539 6.038 57.487 1.00 30.80 1SG 374 ATOM 374 O LEU 46 21.384 5.288 56.999 1.00 30.80 1SG 375 ATOM 375 N ILE 47 19.634 5.622 58.393 1.00 67.26 1SG 376 ATOM 376 CA ILE 47 19.616 4.269 58.859 1.00 67.26 1SG 377 ATOM 377 CB ILE 47 18.609 4.037 59.954 1.00 67.26 1SG 378 ATOM 378 CG2 ILE 47 17.200 4.329 59.411 1.00 67.26 1SG 379 ATOM 379 CG1 ILE 47 18.781 2.628 60.546 1.00 67.26 1SG 380 ATOM 380 CD1 ILE 47 18.011 2.419 61.849 1.00 67.26 1SG 381 ATOM 381 C ILE 47 19.296 3.357 57.718 1.00 67.26 1SG 382 ATOM 382 O ILE 47 19.943 2.325 57.546 1.00 67.26 1SG 383 ATOM 383 N GLY 48 18.301 3.717 56.887 1.00 11.89 1SG 384 ATOM 384 CA GLY 48 17.954 2.827 55.822 1.00 11.89 1SG 385 ATOM 385 C GLY 48 17.639 3.640 54.614 1.00 11.89 1SG 386 ATOM 386 O GLY 48 17.443 4.852 54.689 1.00 11.89 1SG 387 ATOM 387 N GLN 49 17.582 2.962 53.453 1.00 58.09 1SG 388 ATOM 388 CA GLN 49 17.297 3.614 52.213 1.00 58.09 1SG 389 ATOM 389 CB GLN 49 17.744 2.766 51.008 1.00 58.09 1SG 390 ATOM 390 CG GLN 49 19.271 2.593 51.023 1.00 58.09 1SG 391 ATOM 391 CD GLN 49 19.722 1.586 49.974 1.00 58.09 1SG 392 ATOM 392 OE1 GLN 49 20.472 1.927 49.060 1.00 58.09 1SG 393 ATOM 393 NE2 GLN 49 19.277 0.309 50.121 1.00 58.09 1SG 394 ATOM 394 C GLN 49 15.828 3.896 52.194 1.00 58.09 1SG 395 ATOM 395 O GLN 49 15.050 3.188 52.832 1.00 58.09 1SG 396 ATOM 396 N ALA 50 15.405 4.958 51.474 1.00 51.96 1SG 397 ATOM 397 CA ALA 50 14.027 5.348 51.562 1.00 51.96 1SG 398 ATOM 398 CB ALA 50 13.699 6.132 52.844 1.00 51.96 1SG 399 ATOM 399 C ALA 50 13.655 6.224 50.403 1.00 51.96 1SG 400 ATOM 400 O ALA 50 14.137 6.051 49.282 1.00 51.96 1SG 401 ATOM 401 N ASP 51 12.752 7.189 50.680 1.00 48.23 1SG 402 ATOM 402 CA ASP 51 12.128 8.085 49.742 1.00 48.23 1SG 403 ATOM 403 CB ASP 51 11.289 9.182 50.424 1.00 48.23 1SG 404 ATOM 404 CG ASP 51 10.152 8.532 51.200 1.00 48.23 1SG 405 ATOM 405 OD1 ASP 51 10.300 7.345 51.596 1.00 48.23 1SG 406 ATOM 406 OD2 ASP 51 9.123 9.225 51.423 1.00 48.23 1SG 407 ATOM 407 C ASP 51 13.178 8.798 48.950 1.00 48.23 1SG 408 ATOM 408 O ASP 51 14.338 8.872 49.350 1.00 48.23 1SG 409 ATOM 409 N LEU 52 12.778 9.328 47.771 1.00121.62 1SG 410 ATOM 410 CA LEU 52 13.726 9.963 46.901 1.00121.62 1SG 411 ATOM 411 CB LEU 52 13.801 9.345 45.497 1.00121.62 1SG 412 ATOM 412 CG LEU 52 12.780 8.223 45.258 1.00121.62 1SG 413 ATOM 413 CD2 LEU 52 13.071 7.461 43.955 1.00121.62 1SG 414 ATOM 414 CD1 LEU 52 11.354 8.800 45.284 1.00121.62 1SG 415 ATOM 415 C LEU 52 13.245 11.346 46.602 1.00121.62 1SG 416 ATOM 416 O LEU 52 12.167 11.762 47.022 1.00121.62 1SG 417 ATOM 417 N VAL 53 14.090 12.094 45.864 1.00 94.69 1SG 418 ATOM 418 CA VAL 53 13.782 13.387 45.325 1.00 94.69 1SG 419 ATOM 419 CB VAL 53 14.577 14.511 45.921 1.00 94.69 1SG 420 ATOM 420 CG1 VAL 53 14.203 14.635 47.408 1.00 94.69 1SG 421 ATOM 421 CG2 VAL 53 16.071 14.246 45.673 1.00 94.69 1SG 422 ATOM 422 C VAL 53 14.164 13.261 43.884 1.00 94.69 1SG 423 ATOM 423 O VAL 53 14.898 12.341 43.527 1.00 94.69 1SG 424 ATOM 424 N GLY 54 13.676 14.152 42.998 1.00 19.32 1SG 425 ATOM 425 CA GLY 54 14.012 13.934 41.619 1.00 19.32 1SG 426 ATOM 426 C GLY 54 14.380 15.225 40.964 1.00 19.32 1SG 427 ATOM 427 O GLY 54 14.074 16.309 41.458 1.00 19.32 1SG 428 ATOM 428 N VAL 55 15.065 15.113 39.808 1.00 25.79 1SG 429 ATOM 429 CA VAL 55 15.476 16.246 39.033 1.00 25.79 1SG 430 ATOM 430 CB VAL 55 16.961 16.473 39.061 1.00 25.79 1SG 431 ATOM 431 CG1 VAL 55 17.308 17.663 38.152 1.00 25.79 1SG 432 ATOM 432 CG2 VAL 55 17.393 16.666 40.524 1.00 25.79 1SG 433 ATOM 433 C VAL 55 15.097 15.938 37.619 1.00 25.79 1SG 434 ATOM 434 O VAL 55 14.920 14.776 37.261 1.00 25.79 1SG 435 ATOM 435 N GLU 56 14.937 16.981 36.779 1.00 97.62 1SG 436 ATOM 436 CA GLU 56 14.559 16.767 35.411 1.00 97.62 1SG 437 ATOM 437 CB GLU 56 13.778 17.948 34.804 1.00 97.62 1SG 438 ATOM 438 CG GLU 56 13.338 17.719 33.357 1.00 97.62 1SG 439 ATOM 439 CD GLU 56 12.221 16.685 33.360 1.00 97.62 1SG 440 ATOM 440 OE1 GLU 56 11.904 16.161 34.461 1.00 97.62 1SG 441 ATOM 441 OE2 GLU 56 11.667 16.406 32.263 1.00 97.62 1SG 442 ATOM 442 C GLU 56 15.798 16.567 34.593 1.00 97.62 1SG 443 ATOM 443 O GLU 56 16.848 17.138 34.887 1.00 97.62 1SG 444 ATOM 444 N GLY 57 15.695 15.720 33.542 1.00 26.73 1SG 445 ATOM 445 CA GLY 57 16.810 15.467 32.670 1.00 26.73 1SG 446 ATOM 446 C GLY 57 16.291 15.219 31.286 1.00 26.73 1SG 447 ATOM 447 O GLY 57 15.225 14.636 31.074 1.00 26.73 1SG 448 ATOM 448 N PRO 58 17.075 15.685 30.349 1.00121.22 1SG 449 ATOM 449 CA PRO 58 16.767 15.579 28.945 1.00121.22 1SG 450 ATOM 450 CD PRO 58 17.848 16.891 30.621 1.00121.22 1SG 451 ATOM 451 CB PRO 58 17.243 16.877 28.290 1.00121.22 1SG 452 ATOM 452 CG PRO 58 18.318 17.402 29.248 1.00121.22 1SG 453 ATOM 453 C PRO 58 17.374 14.367 28.306 1.00121.22 1SG 454 ATOM 454 O PRO 58 17.388 13.287 28.898 1.00121.22 1SG 455 ATOM 455 N PHE 59 17.883 14.579 27.075 1.00119.54 1SG 456 ATOM 456 CA PHE 59 18.499 13.675 26.132 1.00119.54 1SG 457 ATOM 457 CB PHE 59 19.013 14.470 24.906 1.00119.54 1SG 458 ATOM 458 CG PHE 59 19.987 13.681 24.090 1.00119.54 1SG 459 ATOM 459 CD1 PHE 59 19.583 12.616 23.316 1.00119.54 1SG 460 ATOM 460 CD2 PHE 59 21.318 14.046 24.065 1.00119.54 1SG 461 ATOM 461 CE1 PHE 59 20.494 11.907 22.567 1.00119.54 1SG 462 ATOM 462 CE2 PHE 59 22.234 13.343 23.318 1.00119.54 1SG 463 ATOM 463 CZ PHE 59 21.821 12.269 22.566 1.00119.54 1SG 464 ATOM 464 C PHE 59 19.678 12.987 26.750 1.00119.54 1SG 465 ATOM 465 O PHE 59 19.940 11.818 26.486 1.00119.54 1SG 466 ATOM 466 N SER 60 20.404 13.723 27.599 1.00 97.18 1SG 467 ATOM 467 CA SER 60 21.627 13.330 28.223 1.00 97.18 1SG 468 ATOM 468 CB SER 60 22.203 14.520 29.011 1.00 97.18 1SG 469 ATOM 469 OG SER 60 23.457 14.210 29.597 1.00 97.18 1SG 470 ATOM 470 C SER 60 21.396 12.175 29.165 1.00 97.18 1SG 471 ATOM 471 O SER 60 22.279 11.850 29.956 1.00 97.18 1SG 472 ATOM 472 N VAL 61 20.226 11.497 29.091 1.00 43.16 1SG 473 ATOM 473 CA VAL 61 19.875 10.451 30.023 1.00 43.16 1SG 474 ATOM 474 CB VAL 61 18.666 9.663 29.588 1.00 43.16 1SG 475 ATOM 475 CG1 VAL 61 18.478 8.440 30.509 1.00 43.16 1SG 476 ATOM 476 CG2 VAL 61 17.453 10.606 29.534 1.00 43.16 1SG 477 ATOM 477 C VAL 61 20.977 9.449 30.110 1.00 43.16 1SG 478 ATOM 478 O VAL 61 21.425 9.125 31.208 1.00 43.16 1SG 479 ATOM 479 N GLU 62 21.462 8.947 28.962 1.00 23.38 1SG 480 ATOM 480 CA GLU 62 22.509 7.974 29.023 1.00 23.38 1SG 481 ATOM 481 CB GLU 62 22.926 7.435 27.644 1.00 23.38 1SG 482 ATOM 482 CG GLU 62 21.910 6.461 27.041 1.00 23.38 1SG 483 ATOM 483 CD GLU 62 22.533 5.849 25.794 1.00 23.38 1SG 484 ATOM 484 OE1 GLU 62 23.678 6.253 25.458 1.00 23.38 1SG 485 ATOM 485 OE2 GLU 62 21.884 4.971 25.164 1.00 23.38 1SG 486 ATOM 486 C GLU 62 23.701 8.624 29.640 1.00 23.38 1SG 487 ATOM 487 O GLU 62 24.421 8.014 30.427 1.00 23.38 1SG 488 ATOM 488 N GLU 63 23.926 9.904 29.309 1.00 36.62 1SG 489 ATOM 489 CA GLU 63 25.080 10.604 29.783 1.00 36.62 1SG 490 ATOM 490 CB GLU 63 25.137 12.022 29.188 1.00 36.62 1SG 491 ATOM 491 CG GLU 63 26.458 12.771 29.358 1.00 36.62 1SG 492 ATOM 492 CD GLU 63 26.389 13.992 28.443 1.00 36.62 1SG 493 ATOM 493 OE1 GLU 63 25.316 14.214 27.821 1.00 36.62 1SG 494 ATOM 494 OE2 GLU 63 27.415 14.714 28.340 1.00 36.62 1SG 495 ATOM 495 C GLU 63 25.042 10.667 31.285 1.00 36.62 1SG 496 ATOM 496 O GLU 63 26.065 10.458 31.934 1.00 36.62 1SG 497 ATOM 497 N LEU 64 23.864 10.931 31.888 1.00 75.06 1SG 498 ATOM 498 CA LEU 64 23.782 11.004 33.324 1.00 75.06 1SG 499 ATOM 499 CB LEU 64 22.398 11.408 33.869 1.00 75.06 1SG 500 ATOM 500 CG LEU 64 22.055 12.902 33.707 1.00 75.06 1SG 501 ATOM 501 CD2 LEU 64 21.964 13.323 32.236 1.00 75.06 1SG 502 ATOM 502 CD1 LEU 64 23.015 13.782 34.521 1.00 75.06 1SG 503 ATOM 503 C LEU 64 24.108 9.667 33.904 1.00 75.06 1SG 504 ATOM 504 O LEU 64 24.773 9.579 34.935 1.00 75.06 1SG 505 ATOM 505 N LEU 65 23.661 8.583 33.248 1.00118.83 1SG 506 ATOM 506 CA LEU 65 23.904 7.275 33.781 1.00118.83 1SG 507 ATOM 507 CB LEU 65 23.368 6.148 32.882 1.00118.83 1SG 508 ATOM 508 CG LEU 65 23.630 4.741 33.452 1.00118.83 1SG 509 ATOM 509 CD2 LEU 65 23.327 3.654 32.408 1.00118.83 1SG 510 ATOM 510 CD1 LEU 65 22.882 4.526 34.777 1.00118.83 1SG 511 ATOM 511 C LEU 65 25.386 7.097 33.875 1.00118.83 1SG 512 ATOM 512 O LEU 65 25.894 6.541 34.847 1.00118.83 1SG 513 ATOM 513 N ALA 66 26.122 7.579 32.857 1.00 16.38 1SG 514 ATOM 514 CA ALA 66 27.548 7.430 32.836 1.00 16.38 1SG 515 ATOM 515 CB ALA 66 28.187 8.017 31.565 1.00 16.38 1SG 516 ATOM 516 C ALA 66 28.131 8.153 34.007 1.00 16.38 1SG 517 ATOM 517 O ALA 66 29.038 7.646 34.665 1.00 16.38 1SG 518 ATOM 518 N HIS 67 27.612 9.356 34.315 1.00 58.62 1SG 519 ATOM 519 CA HIS 67 28.159 10.119 35.399 1.00 58.62 1SG 520 ATOM 520 ND1 HIS 67 27.131 12.504 33.253 1.00 58.62 1SG 521 ATOM 521 CG HIS 67 27.813 12.445 34.448 1.00 58.62 1SG 522 ATOM 522 CB HIS 67 27.489 11.495 35.566 1.00 58.62 1SG 523 ATOM 523 NE2 HIS 67 28.721 14.054 33.149 1.00 58.62 1SG 524 ATOM 524 CD2 HIS 67 28.781 13.399 34.367 1.00 58.62 1SG 525 ATOM 525 CE1 HIS 67 27.714 13.481 32.514 1.00 58.62 1SG 526 ATOM 526 C HIS 67 27.987 9.346 36.669 1.00 58.62 1SG 527 ATOM 527 O HIS 67 28.919 9.252 37.465 1.00 58.62 1SG 528 ATOM 528 N GLN 68 26.805 8.733 36.874 1.00100.31 1SG 529 ATOM 529 CA GLN 68 26.544 7.993 38.079 1.00100.31 1SG 530 ATOM 530 CB GLN 68 25.187 7.286 38.085 1.00100.31 1SG 531 ATOM 531 CG GLN 68 25.022 6.404 39.322 1.00100.31 1SG 532 ATOM 532 CD GLN 68 23.897 5.424 39.047 1.00100.31 1SG 533 ATOM 533 OE1 GLN 68 23.667 4.497 39.821 1.00100.31 1SG 534 ATOM 534 NE2 GLN 68 23.181 5.626 37.908 1.00100.31 1SG 535 ATOM 535 C GLN 68 27.546 6.891 38.164 1.00100.31 1SG 536 ATOM 536 O GLN 68 28.053 6.578 39.240 1.00100.31 1SG 537 ATOM 537 N GLU 69 27.864 6.281 37.010 1.00 67.62 1SG 538 ATOM 538 CA GLU 69 28.742 5.151 36.971 1.00 67.62 1SG 539 ATOM 539 CB GLU 69 28.968 4.656 35.531 1.00 67.62 1SG 540 ATOM 540 CG GLU 69 29.879 3.434 35.416 1.00 67.62 1SG 541 ATOM 541 CD GLU 69 29.984 3.087 33.938 1.00 67.62 1SG 542 ATOM 542 OE1 GLU 69 29.306 3.766 33.122 1.00 67.62 1SG 543 ATOM 543 OE2 GLU 69 30.739 2.133 33.606 1.00 67.62 1SG 544 ATOM 544 C GLU 69 30.061 5.566 37.539 1.00 67.62 1SG 545 ATOM 545 O GLU 69 30.679 4.826 38.304 1.00 67.62 1SG 546 ATOM 546 N LYS 70 30.522 6.780 37.194 1.00 54.03 1SG 547 ATOM 547 CA LYS 70 31.785 7.247 37.681 1.00 54.03 1SG 548 ATOM 548 CB LYS 70 32.158 8.628 37.107 1.00 54.03 1SG 549 ATOM 549 CG LYS 70 33.652 8.954 37.180 1.00 54.03 1SG 550 ATOM 550 CD LYS 70 34.077 10.085 36.236 1.00 54.03 1SG 551 ATOM 551 CE LYS 70 35.579 10.378 36.264 1.00 54.03 1SG 552 ATOM 552 NZ LYS 70 35.914 11.425 35.272 1.00 54.03 1SG 553 ATOM 553 C LYS 70 31.669 7.342 39.173 1.00 54.03 1SG 554 ATOM 554 O LYS 70 32.616 7.055 39.904 1.00 54.03 1SG 555 ATOM 555 N HIS 71 30.472 7.743 39.647 1.00104.08 1SG 556 ATOM 556 CA HIS 71 30.160 7.910 41.040 1.00104.08 1SG 557 ATOM 557 ND1 HIS 71 28.424 10.519 39.746 1.00104.08 1SG 558 ATOM 558 CG HIS 71 28.726 10.000 40.985 1.00104.08 1SG 559 ATOM 559 CB HIS 71 28.774 8.531 41.294 1.00104.08 1SG 560 ATOM 560 NE2 HIS 71 28.824 12.250 41.083 1.00104.08 1SG 561 ATOM 561 CD2 HIS 71 28.965 11.073 41.786 1.00104.08 1SG 562 ATOM 562 CE1 HIS 71 28.496 11.872 39.858 1.00104.08 1SG 563 ATOM 563 C HIS 71 30.218 6.589 41.745 1.00104.08 1SG 564 ATOM 564 O HIS 71 30.611 6.539 42.909 1.00104.08 1SG 565 ATOM 565 N LEU 72 29.846 5.486 41.060 1.00305.53 1SG 566 ATOM 566 CA LEU 72 29.881 4.183 41.668 1.00305.53 1SG 567 ATOM 567 CB LEU 72 31.248 3.934 42.350 1.00305.53 1SG 568 ATOM 568 CG LEU 72 31.445 2.571 43.040 1.00305.53 1SG 569 ATOM 569 CD2 LEU 72 32.689 2.588 43.945 1.00305.53 1SG 570 ATOM 570 CD1 LEU 72 31.452 1.419 42.024 1.00305.53 1SG 571 ATOM 571 C LEU 72 28.774 4.045 42.684 1.00305.53 1SG 572 ATOM 572 O LEU 72 28.840 3.200 43.575 1.00305.53 1SG 573 ATOM 573 N ALA 73 27.704 4.861 42.576 1.00 92.29 1SG 574 ATOM 574 CA ALA 73 26.603 4.738 43.498 1.00 92.29 1SG 575 ATOM 575 CB ALA 73 25.751 6.015 43.608 1.00 92.29 1SG 576 ATOM 576 C ALA 73 25.694 3.620 43.062 1.00 92.29 1SG 577 ATOM 577 O ALA 73 25.605 3.305 41.877 1.00 92.29 1SG 578 ATOM 578 N GLU 74 25.004 2.973 44.030 1.00247.91 1SG 579 ATOM 579 CA GLU 74 24.067 1.919 43.729 1.00247.91 1SG 580 ATOM 580 CB GLU 74 24.690 0.524 43.849 1.00247.91 1SG 581 ATOM 581 CG GLU 74 23.717 -0.610 43.539 1.00247.91 1SG 582 ATOM 582 CD GLU 74 24.422 -1.916 43.873 1.00247.91 1SG 583 ATOM 583 OE1 GLU 74 25.619 -1.859 44.262 1.00247.91 1SG 584 ATOM 584 OE2 GLU 74 23.772 -2.988 43.748 1.00247.91 1SG 585 ATOM 585 C GLU 74 22.976 1.987 44.757 1.00247.91 1SG 586 ATOM 586 O GLU 74 23.264 1.935 45.952 1.00247.91 1SG 587 ATOM 587 N GLU 75 21.692 2.045 44.329 1.00271.31 1SG 588 ATOM 588 CA GLU 75 20.626 2.277 45.274 1.00271.31 1SG 589 ATOM 589 CB GLU 75 19.527 3.274 44.830 1.00271.31 1SG 590 ATOM 590 CG GLU 75 18.783 3.955 45.988 1.00271.31 1SG 591 ATOM 591 CD GLU 75 17.635 4.759 45.410 1.00271.31 1SG 592 ATOM 592 OE1 GLU 75 17.883 5.559 44.468 1.00271.31 1SG 593 ATOM 593 OE2 GLU 75 16.496 4.585 45.917 1.00271.31 1SG 594 ATOM 594 C GLU 75 19.857 1.032 45.459 1.00271.31 1SG 595 ATOM 595 O GLU 75 20.230 -0.042 44.991 1.00271.31 1SG 596 ATOM 596 N ALA 76 18.785 1.168 46.254 1.00270.46 1SG 597 ATOM 597 CA ALA 76 17.847 0.125 46.435 1.00270.46 1SG 598 ATOM 598 CB ALA 76 18.557 -1.161 46.873 1.00270.46 1SG 599 ATOM 599 C ALA 76 16.906 0.573 47.516 1.00270.46 1SG 600 ATOM 600 O ALA 76 17.326 1.148 48.518 1.00270.46 1SG 601 ATOM 601 N PHE 77 15.592 0.364 47.323 1.00261.63 1SG 602 ATOM 602 CA PHE 77 14.637 0.600 48.368 1.00261.63 1SG 603 ATOM 603 CB PHE 77 13.794 1.866 48.106 1.00261.63 1SG 604 ATOM 604 CG PHE 77 12.571 1.899 48.962 1.00261.63 1SG 605 ATOM 605 CD1 PHE 77 12.629 2.073 50.326 1.00261.63 1SG 606 ATOM 606 CD2 PHE 77 11.339 1.780 48.363 1.00261.63 1SG 607 ATOM 607 CE1 PHE 77 11.470 2.108 51.070 1.00261.63 1SG 608 ATOM 608 CE2 PHE 77 10.180 1.816 49.101 1.00261.63 1SG 609 ATOM 609 CZ PHE 77 10.244 1.974 50.463 1.00261.63 1SG 610 ATOM 610 C PHE 77 13.748 -0.595 48.350 1.00261.63 1SG 611 ATOM 611 O PHE 77 12.680 -0.554 47.753 1.00261.63 1SG 612 ATOM 612 N LEU 78 14.130 -1.688 49.043 1.00312.59 1SG 613 ATOM 613 CA LEU 78 13.322 -2.863 48.894 1.00312.59 1SG 614 ATOM 614 CB LEU 78 14.091 -4.193 48.801 1.00312.59 1SG 615 ATOM 615 CG LEU 78 13.194 -5.398 48.451 1.00312.59 1SG 616 ATOM 616 CD2 LEU 78 13.978 -6.721 48.494 1.00312.59 1SG 617 ATOM 617 CD1 LEU 78 12.485 -5.193 47.101 1.00312.59 1SG 618 ATOM 618 C LEU 78 12.355 -2.961 50.018 1.00312.59 1SG 619 ATOM 619 O LEU 78 12.503 -2.343 51.071 1.00312.59 1SG 620 ATOM 620 N ARG 79 11.299 -3.747 49.773 1.00353.59 1SG 621 ATOM 621 CA ARG 79 10.211 -3.929 50.675 1.00353.59 1SG 622 ATOM 622 CB ARG 79 9.290 -2.686 50.594 1.00353.59 1SG 623 ATOM 623 CG ARG 79 7.966 -2.665 51.364 1.00353.59 1SG 624 ATOM 624 CD ARG 79 7.072 -1.507 50.885 1.00353.59 1SG 625 ATOM 625 NE ARG 79 5.677 -1.727 51.365 1.00353.59 1SG 626 ATOM 626 CZ ARG 79 4.642 -1.056 50.773 1.00353.59 1SG 627 ATOM 627 NH1 ARG 79 4.885 -0.146 49.785 1.00353.59 1SG 628 ATOM 628 NH2 ARG 79 3.354 -1.297 51.157 1.00353.59 1SG 629 ATOM 629 C ARG 79 9.513 -5.086 50.059 1.00353.59 1SG 630 ATOM 630 O ARG 79 10.009 -5.621 49.066 1.00353.59 1SG 631 ATOM 631 N ALA 80 8.419 -5.579 50.670 1.00284.78 1SG 632 ATOM 632 CA ALA 80 7.646 -6.403 49.803 1.00284.78 1SG 633 ATOM 633 CB ALA 80 6.351 -6.920 50.461 1.00284.78 1SG 634 ATOM 634 C ALA 80 7.323 -5.307 48.848 1.00284.78 1SG 635 ATOM 635 O ALA 80 7.015 -4.226 49.333 1.00284.78 1SG 636 ATOM 636 N TYR 81 7.481 -5.506 47.519 1.00377.15 1SG 637 ATOM 637 CA TYR 81 7.350 -4.444 46.541 1.00377.15 1SG 638 ATOM 638 CB TYR 81 6.280 -3.343 46.883 1.00377.15 1SG 639 ATOM 639 CG TYR 81 4.987 -3.909 47.469 1.00377.15 1SG 640 ATOM 640 CD1 TYR 81 4.253 -4.906 46.860 1.00377.15 1SG 641 ATOM 641 CD2 TYR 81 4.502 -3.454 48.685 1.00377.15 1SG 642 ATOM 642 CE1 TYR 81 3.094 -5.400 47.434 1.00377.15 1SG 643 ATOM 643 CE2 TYR 81 3.350 -3.935 49.267 1.00377.15 1SG 644 ATOM 644 CZ TYR 81 2.630 -4.915 48.637 1.00377.15 1SG 645 ATOM 645 OH TYR 81 1.446 -5.418 49.224 1.00377.15 1SG 646 ATOM 646 C TYR 81 8.784 -3.870 46.363 1.00377.15 1SG 647 ATOM 647 O TYR 81 9.528 -3.798 47.339 1.00377.15 1SG 648 ATOM 648 N ALA 82 9.202 -3.449 45.120 1.00239.26 1SG 649 ATOM 649 CA ALA 82 10.543 -3.116 44.574 1.00239.26 1SG 650 ATOM 650 CB ALA 82 10.511 -2.731 43.084 1.00239.26 1SG 651 ATOM 651 C ALA 82 11.425 -2.084 45.293 1.00239.26 1SG 652 ATOM 652 O ALA 82 10.926 -1.351 46.142 1.00239.26 1SG 653 ATOM 653 N LYS 83 12.765 -2.027 44.901 1.00234.52 1SG 654 ATOM 654 CA LYS 83 13.962 -1.427 45.506 1.00234.52 1SG 655 ATOM 655 CB LYS 83 14.863 -2.621 45.890 1.00234.52 1SG 656 ATOM 656 CG LYS 83 15.909 -2.401 46.968 1.00234.52 1SG 657 ATOM 657 CD LYS 83 16.629 -3.674 47.422 1.00234.52 1SG 658 ATOM 658 CE LYS 83 17.670 -3.434 48.518 1.00234.52 1SG 659 ATOM 659 NZ LYS 83 18.529 -4.629 48.678 1.00234.52 1SG 660 ATOM 660 C LYS 83 14.767 -0.512 44.581 1.00234.52 1SG 661 ATOM 661 O LYS 83 14.349 0.577 44.185 1.00234.52 1SG 662 ATOM 662 N ASP 84 16.031 -0.922 44.312 1.00144.89 1SG 663 ATOM 663 CA ASP 84 16.981 -0.261 43.445 1.00144.89 1SG 664 ATOM 664 CB ASP 84 18.288 -1.064 43.376 1.00144.89 1SG 665 ATOM 665 CG ASP 84 19.294 -0.415 42.440 1.00144.89 1SG 666 ATOM 666 OD1 ASP 84 19.184 0.812 42.180 1.00144.89 1SG 667 ATOM 667 OD2 ASP 84 20.195 -1.160 41.968 1.00144.89 1SG 668 ATOM 668 C ASP 84 16.355 -0.328 42.099 1.00144.89 1SG 669 ATOM 669 O ASP 84 15.483 -1.160 41.850 1.00144.89 1SG 670 ATOM 670 N GLU 85 16.773 0.563 41.191 1.00127.46 1SG 671 ATOM 671 CA GLU 85 16.090 0.596 39.947 1.00127.46 1SG 672 ATOM 672 CB GLU 85 15.454 1.973 39.716 1.00127.46 1SG 673 ATOM 673 CG GLU 85 14.251 2.260 40.632 1.00127.46 1SG 674 ATOM 674 CD GLU 85 14.647 2.595 42.079 1.00127.46 1SG 675 ATOM 675 OE1 GLU 85 15.861 2.674 42.409 1.00127.46 1SG 676 ATOM 676 OE2 GLU 85 13.699 2.785 42.887 1.00127.46 1SG 677 ATOM 677 C GLU 85 17.061 0.312 38.855 1.00127.46 1SG 678 ATOM 678 O GLU 85 17.903 1.133 38.495 1.00127.46 1SG 679 ATOM 679 N PRO 86 16.949 -0.879 38.345 1.00147.67 1SG 680 ATOM 680 CA PRO 86 17.774 -1.251 37.233 1.00147.67 1SG 681 ATOM 681 CD PRO 86 16.701 -2.001 39.234 1.00147.67 1SG 682 ATOM 682 CB PRO 86 17.816 -2.776 37.226 1.00147.67 1SG 683 ATOM 683 CG PRO 86 17.560 -3.154 38.695 1.00147.67 1SG 684 ATOM 684 C PRO 86 17.154 -0.661 36.017 1.00147.67 1SG 685 ATOM 685 O PRO 86 15.960 -0.366 36.049 1.00147.67 1SG 686 ATOM 686 N LEU 87 17.930 -0.458 34.939 1.00280.17 1SG 687 ATOM 687 CA LEU 87 17.306 0.117 33.791 1.00280.17 1SG 688 ATOM 688 CB LEU 87 17.694 1.590 33.593 1.00280.17 1SG 689 ATOM 689 CG LEU 87 16.829 2.312 32.551 1.00280.17 1SG 690 ATOM 690 CD2 LEU 87 17.414 3.686 32.190 1.00280.17 1SG 691 ATOM 691 CD1 LEU 87 15.375 2.400 33.036 1.00280.17 1SG 692 ATOM 692 C LEU 87 17.762 -0.650 32.591 1.00280.17 1SG 693 ATOM 693 O LEU 87 18.952 -0.929 32.440 1.00280.17 1SG 694 ATOM 694 N TYR 88 16.815 -1.040 31.716 1.00336.31 1SG 695 ATOM 695 CA TYR 88 17.165 -1.740 30.512 1.00336.31 1SG 696 ATOM 696 CB TYR 88 16.845 -3.246 30.558 1.00336.31 1SG 697 ATOM 697 CG TYR 88 17.251 -3.865 29.260 1.00336.31 1SG 698 ATOM 698 CD1 TYR 88 18.578 -4.078 28.966 1.00336.31 1SG 699 ATOM 699 CD2 TYR 88 16.300 -4.255 28.343 1.00336.31 1SG 700 ATOM 700 CE1 TYR 88 18.951 -4.655 27.773 1.00336.31 1SG 701 ATOM 701 CE2 TYR 88 16.665 -4.833 27.150 1.00336.31 1SG 702 ATOM 702 CZ TYR 88 17.994 -5.034 26.863 1.00336.31 1SG 703 ATOM 703 OH TYR 88 18.375 -5.627 25.641 1.00336.31 1SG 704 ATOM 704 C TYR 88 16.362 -1.138 29.408 1.00336.31 1SG 705 ATOM 705 O TYR 88 15.255 -0.645 29.633 1.00336.31 1SG 706 ATOM 706 N ALA 89 16.901 -1.125 28.174 1.00296.65 1SG 707 ATOM 707 CA ALA 89 16.101 -0.572 27.124 1.00296.65 1SG 708 ATOM 708 CB ALA 89 15.980 0.955 27.204 1.00296.65 1SG 709 ATOM 709 C ALA 89 16.719 -0.905 25.805 1.00296.65 1SG 710 ATOM 710 O ALA 89 17.899 -1.243 25.725 1.00296.65 1SG 711 ATOM 711 N TRP 90 15.910 -0.823 24.730 1.00299.92 1SG 712 ATOM 712 CA TRP 90 16.381 -1.063 23.394 1.00299.92 1SG 713 ATOM 713 CB TRP 90 15.916 -2.431 22.874 1.00299.92 1SG 714 ATOM 714 CG TRP 90 16.056 -2.654 21.391 1.00299.92 1SG 715 ATOM 715 CD2 TRP 90 17.277 -2.975 20.708 1.00299.92 1SG 716 ATOM 716 CD1 TRP 90 15.080 -2.611 20.439 1.00299.92 1SG 717 ATOM 717 NE1 TRP 90 15.609 -2.915 19.210 1.00299.92 1SG 718 ATOM 718 CE2 TRP 90 16.961 -3.135 19.359 1.00299.92 1SG 719 ATOM 719 CE3 TRP 90 18.555 -3.127 21.167 1.00299.92 1SG 720 ATOM 720 CZ2 TRP 90 17.921 -3.456 18.444 1.00299.92 1SG 721 ATOM 721 CZ3 TRP 90 19.522 -3.445 20.240 1.00299.92 1SG 722 ATOM 722 CH2 TRP 90 19.209 -3.608 18.906 1.00299.92 1SG 723 ATOM 723 C TRP 90 15.801 -0.002 22.505 1.00299.92 1SG 724 ATOM 724 O TRP 90 14.598 0.233 22.555 1.00299.92 1SG 725 ATOM 725 N VAL 91 16.633 0.654 21.654 1.00 87.41 1SG 726 ATOM 726 CA VAL 91 16.134 1.698 20.786 1.00 87.41 1SG 727 ATOM 727 CB VAL 91 16.900 3.008 20.781 1.00 87.41 1SG 728 ATOM 728 CG1 VAL 91 16.197 3.969 19.807 1.00 87.41 1SG 729 ATOM 729 CG2 VAL 91 17.058 3.610 22.177 1.00 87.41 1SG 730 ATOM 730 C VAL 91 16.316 1.229 19.379 1.00 87.41 1SG 731 ATOM 731 O VAL 91 17.243 0.483 19.073 1.00 87.41 1SG 732 ATOM 732 N LEU 92 15.396 1.627 18.485 1.00289.59 1SG 733 ATOM 733 CA LEU 92 15.525 1.346 17.090 1.00289.59 1SG 734 ATOM 734 CB LEU 92 15.091 -0.087 16.728 1.00289.59 1SG 735 ATOM 735 CG LEU 92 15.379 -0.443 15.258 1.00289.59 1SG 736 ATOM 736 CD2 LEU 92 14.664 -1.734 14.823 1.00289.59 1SG 737 ATOM 737 CD1 LEU 92 16.890 -0.396 14.970 1.00289.59 1SG 738 ATOM 738 C LEU 92 14.584 2.321 16.464 1.00289.59 1SG 739 ATOM 739 O LEU 92 14.339 3.393 17.015 1.00289.59 1SG 740 ATOM 740 N GLU 93 14.029 2.009 15.280 1.00255.12 1SG 741 ATOM 741 CA GLU 93 12.954 2.836 14.831 1.00255.12 1SG 742 ATOM 742 CB GLU 93 12.776 2.802 13.301 1.00255.12 1SG 743 ATOM 743 CG GLU 93 11.665 3.721 12.790 1.00255.12 1SG 744 ATOM 744 CD GLU 93 12.088 5.174 12.994 1.00255.12 1SG 745 ATOM 745 OE1 GLU 93 13.188 5.413 13.562 1.00255.12 1SG 746 ATOM 746 OE2 GLU 93 11.304 6.070 12.583 1.00255.12 1SG 747 ATOM 747 C GLU 93 11.752 2.198 15.476 1.00255.12 1SG 748 ATOM 748 O GLU 93 10.771 1.864 14.816 1.00255.12 1SG 749 ATOM 749 N ASN 94 11.850 2.041 16.816 1.00234.96 1SG 750 ATOM 750 CA ASN 94 10.972 1.444 17.773 1.00234.96 1SG 751 ATOM 751 CB ASN 94 11.260 -0.055 17.971 1.00234.96 1SG 752 ATOM 752 CG ASN 94 11.077 -0.721 16.610 1.00234.96 1SG 753 ATOM 753 OD1 ASN 94 10.015 -1.253 16.289 1.00234.96 1SG 754 ATOM 754 ND2 ASN 94 12.150 -0.679 15.773 1.00234.96 1SG 755 ATOM 755 C ASN 94 11.340 2.177 19.029 1.00234.96 1SG 756 ATOM 756 O ASN 94 12.023 3.198 18.950 1.00234.96 1SG 757 ATOM 757 N ALA 95 10.930 1.718 20.228 1.00250.15 1SG 758 ATOM 758 CA ALA 95 11.253 2.576 21.336 1.00250.15 1SG 759 ATOM 759 CB ALA 95 10.013 3.135 22.050 1.00250.15 1SG 760 ATOM 760 C ALA 95 12.115 1.908 22.371 1.00250.15 1SG 761 ATOM 761 O ALA 95 12.045 0.697 22.591 1.00250.15 1SG 762 ATOM 762 N PHE 96 12.965 2.740 23.026 1.00165.06 1SG 763 ATOM 763 CA PHE 96 13.887 2.385 24.074 1.00165.06 1SG 764 ATOM 764 CB PHE 96 14.982 3.452 24.246 1.00165.06 1SG 765 ATOM 765 CG PHE 96 16.192 3.010 25.017 1.00165.06 1SG 766 ATOM 766 CD1 PHE 96 17.008 1.974 24.602 1.00165.06 1SG 767 ATOM 767 CD2 PHE 96 16.564 3.708 26.140 1.00165.06 1SG 768 ATOM 768 CE1 PHE 96 18.132 1.622 25.316 1.00165.06 1SG 769 ATOM 769 CE2 PHE 96 17.681 3.361 26.862 1.00165.06 1SG 770 ATOM 770 CZ PHE 96 18.478 2.321 26.447 1.00165.06 1SG 771 ATOM 771 C PHE 96 13.066 2.308 25.295 1.00165.06 1SG 772 ATOM 772 O PHE 96 12.150 3.115 25.460 1.00165.06 1SG 773 ATOM 773 N ARG 97 13.398 1.305 26.134 1.00167.77 1SG 774 ATOM 774 CA ARG 97 12.770 0.976 27.375 1.00167.77 1SG 775 ATOM 775 CB ARG 97 13.390 1.652 28.607 1.00167.77 1SG 776 ATOM 776 CG ARG 97 12.980 0.930 29.893 1.00167.77 1SG 777 ATOM 777 CD ARG 97 13.190 1.725 31.181 1.00167.77 1SG 778 ATOM 778 NE ARG 97 12.855 0.813 32.315 1.00167.77 1SG 779 ATOM 779 CZ ARG 97 12.532 1.320 33.541 1.00167.77 1SG 780 ATOM 780 NH1 ARG 97 12.505 2.670 33.733 1.00167.77 1SG 781 ATOM 781 NH2 ARG 97 12.231 0.480 34.575 1.00167.77 1SG 782 ATOM 782 C ARG 97 11.328 1.326 27.305 1.00167.77 1SG 783 ATOM 783 O ARG 97 10.634 1.031 26.332 1.00167.77 1SG 784 ATOM 784 N TYR 98 10.849 1.986 28.365 1.00170.23 1SG 785 ATOM 785 CA TYR 98 9.484 2.371 28.449 1.00170.23 1SG 786 ATOM 786 CB TYR 98 8.781 1.491 29.490 1.00170.23 1SG 787 ATOM 787 CG TYR 98 9.287 0.142 29.077 1.00170.23 1SG 788 ATOM 788 CD1 TYR 98 8.770 -0.533 27.992 1.00170.23 1SG 789 ATOM 789 CD2 TYR 98 10.347 -0.422 29.752 1.00170.23 1SG 790 ATOM 790 CE1 TYR 98 9.276 -1.760 27.619 1.00170.23 1SG 791 ATOM 791 CE2 TYR 98 10.856 -1.645 29.386 1.00170.23 1SG 792 ATOM 792 CZ TYR 98 10.320 -2.319 28.317 1.00170.23 1SG 793 ATOM 793 OH TYR 98 10.843 -3.575 27.938 1.00170.23 1SG 794 ATOM 794 C TYR 98 9.591 3.814 28.832 1.00170.23 1SG 795 ATOM 795 O TYR 98 9.618 4.677 27.957 1.00170.23 1SG 796 ATOM 796 N GLU 99 9.632 4.128 30.139 1.00123.81 1SG 797 ATOM 797 CA GLU 99 10.037 5.455 30.510 1.00123.81 1SG 798 ATOM 798 CB GLU 99 9.153 6.139 31.565 1.00123.81 1SG 799 ATOM 799 CG GLU 99 9.578 7.586 31.824 1.00123.81 1SG 800 ATOM 800 CD GLU 99 8.591 8.220 32.794 1.00123.81 1SG 801 ATOM 801 OE1 GLU 99 7.359 8.075 32.567 1.00123.81 1SG 802 ATOM 802 OE2 GLU 99 9.057 8.867 33.767 1.00123.81 1SG 803 ATOM 803 C GLU 99 11.386 5.246 31.110 1.00123.81 1SG 804 ATOM 804 O GLU 99 11.639 4.185 31.678 1.00123.81 1SG 805 ATOM 805 N LYS 100 12.314 6.215 30.973 1.00116.27 1SG 806 ATOM 806 CA LYS 100 13.608 5.926 31.515 1.00116.27 1SG 807 ATOM 807 CB LYS 100 14.711 5.886 30.443 1.00116.27 1SG 808 ATOM 808 CG LYS 100 14.661 7.055 29.461 1.00116.27 1SG 809 ATOM 809 CD LYS 100 15.779 7.010 28.418 1.00116.27 1SG 810 ATOM 810 CE LYS 100 15.575 7.984 27.256 1.00116.27 1SG 811 ATOM 811 NZ LYS 100 16.572 7.718 26.195 1.00116.27 1SG 812 ATOM 812 C LYS 100 13.970 6.896 32.587 1.00116.27 1SG 813 ATOM 813 O LYS 100 14.418 8.021 32.369 1.00116.27 1SG 814 ATOM 814 N PRO 101 13.703 6.420 33.764 1.00109.25 1SG 815 ATOM 815 CA PRO 101 14.081 7.104 34.964 1.00109.25 1SG 816 ATOM 816 CD PRO 101 12.508 5.615 33.951 1.00109.25 1SG 817 ATOM 817 CB PRO 101 13.038 6.721 36.011 1.00109.25 1SG 818 ATOM 818 CG PRO 101 12.381 5.447 35.467 1.00109.25 1SG 819 ATOM 819 C PRO 101 15.436 6.600 35.323 1.00109.25 1SG 820 ATOM 820 O PRO 101 15.861 5.596 34.750 1.00109.25 1SG 821 ATOM 821 N LEU 102 16.132 7.294 36.243 1.00144.69 1SG 822 ATOM 822 CA LEU 102 17.375 6.792 36.743 1.00144.69 1SG 823 ATOM 823 CB LEU 102 18.595 7.626 36.307 1.00144.69 1SG 824 ATOM 824 CG LEU 102 19.935 7.087 36.845 1.00144.69 1SG 825 ATOM 825 CD2 LEU 102 21.073 8.088 36.593 1.00144.69 1SG 826 ATOM 826 CD1 LEU 102 20.246 5.685 36.291 1.00144.69 1SG 827 ATOM 827 C LEU 102 17.252 6.909 38.232 1.00144.69 1SG 828 ATOM 828 O LEU 102 17.057 8.009 38.749 1.00144.69 1SG 829 ATOM 829 N HIS 103 17.339 5.781 38.968 1.00 91.28 1SG 830 ATOM 830 CA HIS 103 17.192 5.861 40.396 1.00 91.28 1SG 831 ATOM 831 ND1 HIS 103 14.038 4.945 39.448 1.00 91.28 1SG 832 ATOM 832 CG HIS 103 14.670 5.377 40.592 1.00 91.28 1SG 833 ATOM 833 CB HIS 103 16.067 4.993 40.970 1.00 91.28 1SG 834 ATOM 834 NE2 HIS 103 12.541 6.123 40.596 1.00 91.28 1SG 835 ATOM 835 CD2 HIS 103 13.744 6.101 41.279 1.00 91.28 1SG 836 ATOM 836 CE1 HIS 103 12.767 5.414 39.504 1.00 91.28 1SG 837 ATOM 837 C HIS 103 18.445 5.333 41.016 1.00 91.28 1SG 838 ATOM 838 O HIS 103 18.846 4.196 40.765 1.00 91.28 1SG 839 ATOM 839 N VAL 104 19.080 6.164 41.869 1.00 77.15 1SG 840 ATOM 840 CA VAL 104 20.351 5.831 42.447 1.00 77.15 1SG 841 ATOM 841 CB VAL 104 21.427 6.431 41.566 1.00 77.15 1SG 842 ATOM 842 CG1 VAL 104 22.848 6.212 42.107 1.00 77.15 1SG 843 ATOM 843 CG2 VAL 104 21.207 5.868 40.152 1.00 77.15 1SG 844 ATOM 844 C VAL 104 20.399 6.473 43.815 1.00 77.15 1SG 845 ATOM 845 O VAL 104 19.973 7.617 43.974 1.00 77.15 1SG 846 ATOM 846 N PRO 105 20.886 5.782 44.823 1.00183.72 1SG 847 ATOM 847 CA PRO 105 20.906 6.314 46.154 1.00183.72 1SG 848 ATOM 848 CD PRO 105 22.030 4.892 44.683 1.00183.72 1SG 849 ATOM 849 CB PRO 105 21.353 5.178 47.027 1.00183.72 1SG 850 ATOM 850 CG PRO 105 22.477 4.619 46.141 1.00183.72 1SG 851 ATOM 851 C PRO 105 22.101 7.204 46.145 1.00183.72 1SG 852 ATOM 852 O PRO 105 22.571 7.602 45.082 1.00183.72 1SG 853 ATOM 853 N ARG 106 22.589 7.560 47.339 1.00209.72 1SG 854 ATOM 854 CA ARG 106 23.880 8.163 47.376 1.00209.72 1SG 855 ATOM 855 CB ARG 106 23.935 9.615 47.846 1.00209.72 1SG 856 ATOM 856 CG ARG 106 23.564 9.758 49.311 1.00209.72 1SG 857 ATOM 857 CD ARG 106 22.339 10.615 49.574 1.00209.72 1SG 858 ATOM 858 NE ARG 106 22.336 10.879 51.039 1.00209.72 1SG 859 ATOM 859 CZ ARG 106 23.074 11.925 51.525 1.00209.72 1SG 860 ATOM 860 NH1 ARG 106 23.856 12.657 50.688 1.00209.72 1SG 861 ATOM 861 NH2 ARG 106 23.043 12.266 52.842 1.00209.72 1SG 862 ATOM 862 C ARG 106 24.577 7.343 48.411 1.00209.72 1SG 863 ATOM 863 O ARG 106 24.077 6.279 48.781 1.00209.72 1SG 864 ATOM 864 N ARG 107 25.764 7.783 48.871 1.00 71.24 1SG 865 ATOM 865 CA ARG 107 26.483 7.023 49.858 1.00 71.24 1SG 866 ATOM 866 CB ARG 107 27.892 7.578 50.160 1.00 71.24 1SG 867 ATOM 867 CG ARG 107 28.877 7.577 48.987 1.00 71.24 1SG 868 ATOM 868 CD ARG 107 30.247 8.160 49.355 1.00 71.24 1SG 869 ATOM 869 NE ARG 107 31.108 8.104 48.139 1.00 71.24 1SG 870 ATOM 870 CZ ARG 107 32.390 8.568 48.192 1.00 71.24 1SG 871 ATOM 871 NH1 ARG 107 32.860 9.102 49.353 1.00 71.24 1SG 872 ATOM 872 NH2 ARG 107 33.200 8.500 47.095 1.00 71.24 1SG 873 ATOM 873 C ARG 107 25.711 7.006 51.151 1.00 71.24 1SG 874 ATOM 874 O ARG 107 25.655 5.968 51.816 1.00 71.24 1SG 875 ATOM 875 N PRO 108 25.132 8.115 51.551 1.00 99.32 1SG 876 ATOM 876 CA PRO 108 24.371 8.139 52.779 1.00 99.32 1SG 877 ATOM 877 CD PRO 108 25.788 9.400 51.323 1.00 99.32 1SG 878 ATOM 878 CB PRO 108 24.216 9.600 53.158 1.00 99.32 1SG 879 ATOM 879 CG PRO 108 25.451 10.273 52.542 1.00 99.32 1SG 880 ATOM 880 C PRO 108 23.066 7.404 52.718 1.00 99.32 1SG 881 ATOM 881 O PRO 108 22.421 7.243 53.750 1.00 99.32 1SG 882 ATOM 882 N GLY 109 22.614 6.985 51.530 1.00 33.12 1SG 883 ATOM 883 CA GLY 109 21.408 6.218 51.529 1.00 33.12 1SG 884 ATOM 884 C GLY 109 20.285 7.059 51.034 1.00 33.12 1SG 885 ATOM 885 O GLY 109 19.200 6.540 50.784 1.00 33.12 1SG 886 ATOM 886 N ARG 110 20.491 8.380 50.876 1.00 92.11 1SG 887 ATOM 887 CA ARG 110 19.394 9.142 50.358 1.00 92.11 1SG 888 ATOM 888 CB ARG 110 19.539 10.668 50.495 1.00 92.11 1SG 889 ATOM 889 CG ARG 110 19.360 11.185 51.930 1.00 92.11 1SG 890 ATOM 890 CD ARG 110 19.122 12.699 51.990 1.00 92.11 1SG 891 ATOM 891 NE ARG 110 18.792 13.096 53.387 1.00 92.11 1SG 892 ATOM 892 CZ ARG 110 19.753 13.712 54.136 1.00 92.11 1SG 893 ATOM 893 NH1 ARG 110 20.983 13.951 53.606 1.00 92.11 1SG 894 ATOM 894 NH2 ARG 110 19.487 14.136 55.402 1.00 92.11 1SG 895 ATOM 895 C ARG 110 19.243 8.778 48.912 1.00 92.11 1SG 896 ATOM 896 O ARG 110 20.207 8.400 48.252 1.00 92.11 1SG 897 ATOM 897 N VAL 111 18.003 8.861 48.392 1.00 40.11 1SG 898 ATOM 898 CA VAL 111 17.708 8.450 47.050 1.00 40.11 1SG 899 ATOM 899 CB VAL 111 16.410 7.697 46.977 1.00 40.11 1SG 900 ATOM 900 CG1 VAL 111 16.092 7.352 45.513 1.00 40.11 1SG 901 ATOM 901 CG2 VAL 111 16.518 6.479 47.911 1.00 40.11 1SG 902 ATOM 902 C VAL 111 17.588 9.670 46.196 1.00 40.11 1SG 903 ATOM 903 O VAL 111 16.998 10.671 46.599 1.00 40.11 1SG 904 ATOM 904 N MET 112 18.187 9.617 44.990 1.00 35.24 1SG 905 ATOM 905 CA MET 112 18.074 10.712 44.076 1.00 35.24 1SG 906 ATOM 906 CB MET 112 19.399 11.422 43.752 1.00 35.24 1SG 907 ATOM 907 CG MET 112 19.938 12.217 44.945 1.00 35.24 1SG 908 ATOM 908 SD MET 112 21.489 13.115 44.648 1.00 35.24 1SG 909 ATOM 909 CE MET 112 21.567 13.817 46.323 1.00 35.24 1SG 910 ATOM 910 C MET 112 17.495 10.163 42.819 1.00 35.24 1SG 911 ATOM 911 O MET 112 17.633 8.977 42.520 1.00 35.24 1SG 912 ATOM 912 N PHE 113 16.806 11.025 42.055 1.00 53.14 1SG 913 ATOM 913 CA PHE 113 16.106 10.541 40.910 1.00 53.14 1SG 914 ATOM 914 CB PHE 113 14.600 10.503 41.208 1.00 53.14 1SG 915 ATOM 915 CG PHE 113 13.878 10.027 40.011 1.00 53.14 1SG 916 ATOM 916 CD1 PHE 113 13.846 8.690 39.708 1.00 53.14 1SG 917 ATOM 917 CD2 PHE 113 13.219 10.926 39.207 1.00 53.14 1SG 918 ATOM 918 CE1 PHE 113 13.168 8.265 38.599 1.00 53.14 1SG 919 ATOM 919 CE2 PHE 113 12.542 10.491 38.098 1.00 53.14 1SG 920 ATOM 920 CZ PHE 113 12.517 9.156 37.786 1.00 53.14 1SG 921 ATOM 921 C PHE 113 16.332 11.479 39.769 1.00 53.14 1SG 922 ATOM 922 O PHE 113 16.527 12.678 39.962 1.00 53.14 1SG 923 ATOM 923 N VAL 114 16.347 10.927 38.538 1.00 37.22 1SG 924 ATOM 924 CA VAL 114 16.433 11.730 37.354 1.00 37.22 1SG 925 ATOM 925 CB VAL 114 17.662 11.472 36.529 1.00 37.22 1SG 926 ATOM 926 CG1 VAL 114 17.585 12.323 35.250 1.00 37.22 1SG 927 ATOM 927 CG2 VAL 114 18.898 11.774 37.392 1.00 37.22 1SG 928 ATOM 928 C VAL 114 15.242 11.329 36.542 1.00 37.22 1SG 929 ATOM 929 O VAL 114 14.969 10.138 36.390 1.00 37.22 1SG 930 ATOM 930 N ASP 115 14.483 12.311 36.014 1.00 81.24 1SG 931 ATOM 931 CA ASP 115 13.289 11.967 35.294 1.00 81.24 1SG 932 ATOM 932 CB ASP 115 12.006 12.461 35.983 1.00 81.24 1SG 933 ATOM 933 CG ASP 115 10.816 11.808 35.298 1.00 81.24 1SG 934 ATOM 934 OD1 ASP 115 11.031 11.130 34.259 1.00 81.24 1SG 935 ATOM 935 OD2 ASP 115 9.676 11.970 35.811 1.00 81.24 1SG 936 ATOM 936 C ASP 115 13.304 12.632 33.955 1.00 81.24 1SG 937 ATOM 937 O ASP 115 13.296 13.859 33.862 1.00 81.24 1SG 938 ATOM 938 N LEU 116 13.350 11.832 32.874 1.00129.19 1SG 939 ATOM 939 CA LEU 116 13.257 12.410 31.567 1.00129.19 1SG 940 ATOM 940 CB LEU 116 13.522 11.428 30.416 1.00129.19 1SG 941 ATOM 941 CG LEU 116 13.394 12.101 29.035 1.00129.19 1SG 942 ATOM 942 CD2 LEU 116 13.390 11.064 27.902 1.00129.19 1SG 943 ATOM 943 CD1 LEU 116 14.448 13.205 28.844 1.00129.19 1SG 944 ATOM 944 C LEU 116 11.869 12.926 31.375 1.00129.19 1SG 945 ATOM 945 O LEU 116 11.666 13.997 30.808 1.00129.19 1SG 946 ATOM 946 N SER 117 10.866 12.169 31.856 1.00 63.63 1SG 947 ATOM 947 CA SER 117 9.500 12.537 31.620 1.00 63.63 1SG 948 ATOM 948 CB SER 117 8.500 11.400 31.881 1.00 63.63 1SG 949 ATOM 949 OG SER 117 7.176 11.847 31.625 1.00 63.63 1SG 950 ATOM 950 C SER 117 9.114 13.680 32.496 1.00 63.63 1SG 951 ATOM 951 O SER 117 9.792 13.999 33.472 1.00 63.63 1SG 952 ATOM 952 N GLU 118 8.001 14.346 32.124 1.00 50.73 1SG 953 ATOM 953 CA GLU 118 7.473 15.438 32.883 1.00 50.73 1SG 954 ATOM 954 CB GLU 118 6.764 16.497 32.017 1.00 50.73 1SG 955 ATOM 955 CG GLU 118 6.192 17.671 32.818 1.00 50.73 1SG 956 ATOM 956 CD GLU 118 5.523 18.637 31.848 1.00 50.73 1SG 957 ATOM 957 OE1 GLU 118 5.629 18.407 30.613 1.00 50.73 1SG 958 ATOM 958 OE2 GLU 118 4.895 19.617 32.329 1.00 50.73 1SG 959 ATOM 959 C GLU 118 6.419 14.840 33.805 1.00 50.73 1SG 960 ATOM 960 O GLU 118 6.207 13.601 33.727 1.00 50.73 1SG 961 ATOM 961 OXT GLU 118 5.807 15.611 34.592 1.00 50.73 1SG 962 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.723 REMARK SCORE 0.723 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 5 PARENT 1NP6_A ATOM 1 N GLU 2 -8.333 -9.729 8.252 1.00 26.91 1SG 2 ATOM 2 CA GLU 2 -9.351 -8.657 8.177 1.00 26.91 1SG 3 ATOM 3 CB GLU 2 -9.367 -7.856 9.489 1.00 26.91 1SG 4 ATOM 4 CG GLU 2 -9.926 -8.655 10.669 1.00 26.91 1SG 5 ATOM 5 CD GLU 2 -9.892 -7.770 11.906 1.00 26.91 1SG 6 ATOM 6 OE1 GLU 2 -9.178 -6.733 11.872 1.00 26.91 1SG 7 ATOM 7 OE2 GLU 2 -10.579 -8.120 12.903 1.00 26.91 1SG 8 ATOM 8 C GLU 2 -9.052 -7.738 7.041 1.00 26.91 1SG 9 ATOM 9 O GLU 2 -9.738 -6.735 6.848 1.00 26.91 1SG 10 ATOM 10 N ARG 3 -8.007 -8.080 6.253 1.00173.94 1SG 11 ATOM 11 CA ARG 3 -7.593 -7.344 5.086 1.00173.94 1SG 12 ATOM 12 CB ARG 3 -8.835 -6.917 4.268 1.00173.94 1SG 13 ATOM 13 CG ARG 3 -8.605 -6.309 2.883 1.00173.94 1SG 14 ATOM 14 CD ARG 3 -9.920 -5.889 2.218 1.00173.94 1SG 15 ATOM 15 NE ARG 3 -9.607 -5.284 0.894 1.00173.94 1SG 16 ATOM 16 CZ ARG 3 -10.628 -4.888 0.078 1.00173.94 1SG 17 ATOM 17 NH1 ARG 3 -11.923 -5.058 0.473 1.00173.94 1SG 18 ATOM 18 NH2 ARG 3 -10.354 -4.319 -1.133 1.00173.94 1SG 19 ATOM 19 C ARG 3 -6.732 -6.120 5.359 1.00173.94 1SG 20 ATOM 20 O ARG 3 -6.545 -5.359 4.412 1.00173.94 1SG 21 ATOM 21 N PRO 4 -6.150 -5.809 6.500 1.00123.64 1SG 22 ATOM 22 CA PRO 4 -5.274 -4.663 6.480 1.00123.64 1SG 23 ATOM 23 CD PRO 4 -6.813 -5.912 7.788 1.00123.64 1SG 24 ATOM 24 CB PRO 4 -5.315 -4.036 7.875 1.00123.64 1SG 25 ATOM 25 CG PRO 4 -5.936 -5.120 8.763 1.00123.64 1SG 26 ATOM 26 C PRO 4 -3.897 -5.063 6.057 1.00123.64 1SG 27 ATOM 27 O PRO 4 -3.574 -6.248 6.124 1.00123.64 1SG 28 ATOM 28 N LYS 5 -3.078 -4.090 5.610 1.00 73.14 1SG 29 ATOM 29 CA LYS 5 -1.719 -4.357 5.240 1.00 73.14 1SG 30 ATOM 30 CB LYS 5 -1.449 -3.959 3.782 1.00 73.14 1SG 31 ATOM 31 CG LYS 5 -2.329 -4.787 2.838 1.00 73.14 1SG 32 ATOM 32 CD LYS 5 -2.546 -4.185 1.450 1.00 73.14 1SG 33 ATOM 33 CE LYS 5 -3.635 -4.911 0.655 1.00 73.14 1SG 34 ATOM 34 NZ LYS 5 -4.075 -4.080 -0.488 1.00 73.14 1SG 35 ATOM 35 C LYS 5 -0.897 -3.536 6.181 1.00 73.14 1SG 36 ATOM 36 O LYS 5 -0.851 -2.310 6.090 1.00 73.14 1SG 37 ATOM 37 N LEU 6 -0.207 -4.220 7.112 1.00 99.35 1SG 38 ATOM 38 CA LEU 6 0.458 -3.547 8.188 1.00 99.35 1SG 39 ATOM 39 CB LEU 6 0.120 -4.186 9.547 1.00 99.35 1SG 40 ATOM 40 CG LEU 6 0.010 -5.724 9.477 1.00 99.35 1SG 41 ATOM 41 CD2 LEU 6 -0.562 -6.304 10.780 1.00 99.35 1SG 42 ATOM 42 CD1 LEU 6 1.338 -6.375 9.062 1.00 99.35 1SG 43 ATOM 43 C LEU 6 1.942 -3.545 8.026 1.00 99.35 1SG 44 ATOM 44 O LEU 6 2.523 -4.377 7.330 1.00 99.35 1SG 45 ATOM 45 N GLY 7 2.577 -2.550 8.681 1.00 27.04 1SG 46 ATOM 46 CA GLY 7 4.000 -2.377 8.718 1.00 27.04 1SG 47 ATOM 47 C GLY 7 4.315 -1.978 10.123 1.00 27.04 1SG 48 ATOM 48 O GLY 7 3.435 -1.528 10.855 1.00 27.04 1SG 49 ATOM 49 N LEU 8 5.585 -2.132 10.547 1.00101.53 1SG 50 ATOM 50 CA LEU 8 5.864 -1.832 11.919 1.00101.53 1SG 51 ATOM 51 CB LEU 8 5.759 -3.122 12.759 1.00101.53 1SG 52 ATOM 52 CG LEU 8 5.905 -2.987 14.288 1.00101.53 1SG 53 ATOM 53 CD2 LEU 8 7.264 -2.421 14.712 1.00101.53 1SG 54 ATOM 54 CD1 LEU 8 5.610 -4.326 14.981 1.00101.53 1SG 55 ATOM 55 C LEU 8 7.235 -1.218 12.014 1.00101.53 1SG 56 ATOM 56 O LEU 8 8.137 -1.572 11.256 1.00101.53 1SG 57 ATOM 57 N ILE 9 7.419 -0.245 12.937 1.00 34.95 1SG 58 ATOM 58 CA ILE 9 8.700 0.385 13.127 1.00 34.95 1SG 59 ATOM 59 CB ILE 9 8.641 1.870 12.908 1.00 34.95 1SG 60 ATOM 60 CG2 ILE 9 10.004 2.470 13.281 1.00 34.95 1SG 61 ATOM 61 CG1 ILE 9 8.198 2.187 11.469 1.00 34.95 1SG 62 ATOM 62 CD1 ILE 9 7.826 3.654 11.250 1.00 34.95 1SG 63 ATOM 63 C ILE 9 9.128 0.163 14.558 1.00 34.95 1SG 64 ATOM 64 O ILE 9 8.338 0.346 15.482 1.00 34.95 1SG 65 ATOM 65 N VAL 10 10.401 -0.245 14.770 1.00 32.60 1SG 66 ATOM 66 CA VAL 10 10.907 -0.493 16.096 1.00 32.60 1SG 67 ATOM 67 CB VAL 10 11.128 -1.957 16.388 1.00 32.60 1SG 68 ATOM 68 CG1 VAL 10 11.702 -2.122 17.805 1.00 32.60 1SG 69 ATOM 69 CG2 VAL 10 9.798 -2.698 16.199 1.00 32.60 1SG 70 ATOM 70 C VAL 10 12.231 0.203 16.184 1.00 32.60 1SG 71 ATOM 71 O VAL 10 12.823 0.537 15.159 1.00 32.60 1SG 72 ATOM 72 N ARG 11 12.722 0.471 17.414 1.00122.74 1SG 73 ATOM 73 CA ARG 11 13.966 1.176 17.599 1.00122.74 1SG 74 ATOM 74 CB ARG 11 13.775 2.320 18.612 1.00122.74 1SG 75 ATOM 75 CG ARG 11 14.984 3.201 18.924 1.00122.74 1SG 76 ATOM 76 CD ARG 11 14.614 4.289 19.937 1.00122.74 1SG 77 ATOM 77 NE ARG 11 15.818 5.120 20.215 1.00122.74 1SG 78 ATOM 78 CZ ARG 11 15.659 6.367 20.748 1.00122.74 1SG 79 ATOM 79 NH1 ARG 11 14.403 6.835 21.007 1.00122.74 1SG 80 ATOM 80 NH2 ARG 11 16.744 7.149 21.024 1.00122.74 1SG 81 ATOM 81 C ARG 11 15.018 0.235 18.155 1.00122.74 1SG 82 ATOM 82 O ARG 11 14.811 -0.318 19.235 1.00122.74 1SG 83 ATOM 83 N GLU 12 16.164 0.031 17.433 1.00 99.87 1SG 84 ATOM 84 CA GLU 12 17.253 -0.809 17.913 1.00 99.87 1SG 85 ATOM 85 CB GLU 12 16.921 -2.314 17.947 1.00 99.87 1SG 86 ATOM 86 CG GLU 12 17.907 -3.124 18.795 1.00 99.87 1SG 87 ATOM 87 CD GLU 12 17.380 -4.547 18.932 1.00 99.87 1SG 88 ATOM 88 OE1 GLU 12 16.548 -4.961 18.080 1.00 99.87 1SG 89 ATOM 89 OE2 GLU 12 17.806 -5.239 19.894 1.00 99.87 1SG 90 ATOM 90 C GLU 12 18.521 -0.634 17.073 1.00 99.87 1SG 91 ATOM 91 O GLU 12 18.471 -0.225 15.911 1.00 99.87 1SG 92 ATOM 92 N PRO 13 19.666 -0.897 17.709 1.00127.15 1SG 93 ATOM 93 CA PRO 13 21.000 -0.777 17.101 1.00127.15 1SG 94 ATOM 94 CD PRO 13 19.715 -0.519 19.115 1.00127.15 1SG 95 ATOM 95 CB PRO 13 21.882 -0.096 18.144 1.00127.15 1SG 96 ATOM 96 CG PRO 13 21.206 -0.429 19.478 1.00127.15 1SG 97 ATOM 97 C PRO 13 21.706 -2.011 16.528 1.00127.15 1SG 98 ATOM 98 O PRO 13 21.133 -3.097 16.541 1.00127.15 1SG 99 ATOM 99 N TYR 14 22.978 -1.840 16.042 1.00278.07 1SG 100 ATOM 100 CA TYR 14 23.934 -2.779 15.423 1.00278.07 1SG 101 ATOM 101 CB TYR 14 23.938 -4.308 15.783 1.00278.07 1SG 102 ATOM 102 CG TYR 14 24.574 -4.647 17.107 1.00278.07 1SG 103 ATOM 103 CD1 TYR 14 25.832 -4.179 17.396 1.00278.07 1SG 104 ATOM 104 CD2 TYR 14 23.981 -5.476 18.048 1.00278.07 1SG 105 ATOM 105 CE1 TYR 14 26.458 -4.483 18.586 1.00278.07 1SG 106 ATOM 106 CE2 TYR 14 24.605 -5.787 19.245 1.00278.07 1SG 107 ATOM 107 CZ TYR 14 25.853 -5.287 19.524 1.00278.07 1SG 108 ATOM 108 OH TYR 14 26.497 -5.602 20.743 1.00278.07 1SG 109 ATOM 109 C TYR 14 23.905 -2.784 13.900 1.00278.07 1SG 110 ATOM 110 O TYR 14 22.848 -2.878 13.272 1.00278.07 1SG 111 ATOM 111 N ALA 15 25.097 -2.686 13.244 1.00309.94 1SG 112 ATOM 112 CA ALA 15 25.117 -2.826 11.797 1.00309.94 1SG 113 ATOM 113 CB ALA 15 24.392 -1.693 11.052 1.00309.94 1SG 114 ATOM 114 C ALA 15 26.513 -2.978 11.210 1.00309.94 1SG 115 ATOM 115 O ALA 15 27.484 -2.337 11.613 1.00309.94 1SG 116 ATOM 116 N SER 16 26.597 -3.868 10.194 1.00171.77 1SG 117 ATOM 117 CA SER 16 27.742 -4.317 9.438 1.00171.77 1SG 118 ATOM 118 CB SER 16 27.520 -5.761 8.934 1.00171.77 1SG 119 ATOM 119 OG SER 16 28.671 -6.293 8.294 1.00171.77 1SG 120 ATOM 120 C SER 16 28.072 -3.461 8.239 1.00171.77 1SG 121 ATOM 121 O SER 16 28.874 -3.889 7.410 1.00171.77 1SG 122 ATOM 122 N LEU 17 27.502 -2.255 8.050 1.00200.99 1SG 123 ATOM 123 CA LEU 17 27.779 -1.716 6.745 1.00200.99 1SG 124 ATOM 124 CB LEU 17 26.721 -0.741 6.209 1.00200.99 1SG 125 ATOM 125 CG LEU 17 25.337 -1.389 6.051 1.00200.99 1SG 126 ATOM 126 CD2 LEU 17 24.703 -1.675 7.419 1.00200.99 1SG 127 ATOM 127 CD1 LEU 17 25.388 -2.620 5.131 1.00200.99 1SG 128 ATOM 128 C LEU 17 29.095 -1.016 6.624 1.00200.99 1SG 129 ATOM 129 O LEU 17 29.154 0.210 6.546 1.00200.99 1SG 130 ATOM 130 N ILE 18 30.190 -1.794 6.595 1.00138.37 1SG 131 ATOM 131 CA ILE 18 31.454 -1.276 6.191 1.00138.37 1SG 132 ATOM 132 CB ILE 18 32.597 -2.233 6.439 1.00138.37 1SG 133 ATOM 133 CG2 ILE 18 32.577 -3.316 5.349 1.00138.37 1SG 134 ATOM 134 CG1 ILE 18 33.942 -1.487 6.536 1.00138.37 1SG 135 ATOM 135 CD1 ILE 18 35.047 -2.310 7.208 1.00138.37 1SG 136 ATOM 136 C ILE 18 31.206 -1.090 4.724 1.00138.37 1SG 137 ATOM 137 O ILE 18 31.722 -0.175 4.082 1.00138.37 1SG 138 ATOM 138 N VAL 19 30.371 -2.016 4.185 1.00264.62 1SG 139 ATOM 139 CA VAL 19 29.897 -2.071 2.828 1.00264.62 1SG 140 ATOM 140 CB VAL 19 30.715 -2.941 1.911 1.00264.62 1SG 141 ATOM 141 CG1 VAL 19 32.048 -2.210 1.642 1.00264.62 1SG 142 ATOM 142 CG2 VAL 19 30.906 -4.321 2.560 1.00264.62 1SG 143 ATOM 143 C VAL 19 28.426 -2.445 2.849 1.00264.62 1SG 144 ATOM 144 O VAL 19 27.750 -2.127 3.825 1.00264.62 1SG 145 ATOM 145 N ASP 20 27.861 -3.085 1.786 1.00243.35 1SG 146 ATOM 146 CA ASP 20 26.411 -3.216 1.712 1.00243.35 1SG 147 ATOM 147 CB ASP 20 25.879 -2.228 0.665 1.00243.35 1SG 148 ATOM 148 CG ASP 20 26.393 -0.865 1.140 1.00243.35 1SG 149 ATOM 149 OD1 ASP 20 25.915 -0.390 2.205 1.00243.35 1SG 150 ATOM 150 OD2 ASP 20 27.286 -0.294 0.458 1.00243.35 1SG 151 ATOM 151 C ASP 20 25.900 -4.641 1.433 1.00243.35 1SG 152 ATOM 152 O ASP 20 26.697 -5.545 1.178 1.00243.35 1SG 153 ATOM 153 N GLY 21 24.537 -4.863 1.469 1.00132.43 1SG 154 ATOM 154 CA GLY 21 23.877 -6.178 1.397 1.00132.43 1SG 155 ATOM 155 C GLY 21 22.759 -6.314 0.344 1.00132.43 1SG 156 ATOM 156 O GLY 21 22.604 -5.432 -0.502 1.00132.43 1SG 157 ATOM 157 N ARG 22 21.930 -7.429 0.392 1.00220.42 1SG 158 ATOM 158 CA ARG 22 20.993 -7.754 -0.693 1.00220.42 1SG 159 ATOM 159 CB ARG 22 21.531 -8.771 -1.730 1.00220.42 1SG 160 ATOM 160 CG ARG 22 20.488 -9.089 -2.825 1.00220.42 1SG 161 ATOM 161 CD ARG 22 20.058 -10.566 -2.920 1.00220.42 1SG 162 ATOM 162 NE ARG 22 18.709 -10.631 -3.568 1.00220.42 1SG 163 ATOM 163 CZ ARG 22 17.961 -11.778 -3.543 1.00220.42 1SG 164 ATOM 164 NH1 ARG 22 18.456 -12.930 -3.000 1.00220.42 1SG 165 ATOM 165 NH2 ARG 22 16.697 -11.775 -4.060 1.00220.42 1SG 166 ATOM 166 C ARG 22 19.560 -8.271 -0.434 1.00220.42 1SG 167 ATOM 167 O ARG 22 18.616 -7.484 -0.351 1.00220.42 1SG 168 ATOM 168 N LYS 23 19.383 -9.620 -0.277 1.00148.56 1SG 169 ATOM 169 CA LYS 23 18.195 -10.394 -0.654 1.00148.56 1SG 170 ATOM 170 CB LYS 23 18.141 -11.837 -0.122 1.00148.56 1SG 171 ATOM 171 CG LYS 23 16.842 -12.503 -0.600 1.00148.56 1SG 172 ATOM 172 CD LYS 23 16.757 -14.023 -0.435 1.00148.56 1SG 173 ATOM 173 CE LYS 23 15.389 -14.590 -0.839 1.00148.56 1SG 174 ATOM 174 NZ LYS 23 15.377 -16.069 -0.748 1.00148.56 1SG 175 ATOM 175 C LYS 23 16.811 -9.888 -0.377 1.00148.56 1SG 176 ATOM 176 O LYS 23 16.154 -9.498 -1.342 1.00148.56 1SG 177 ATOM 177 N VAL 24 16.272 -9.869 0.859 1.00 70.36 1SG 178 ATOM 178 CA VAL 24 14.952 -9.303 0.827 1.00 70.36 1SG 179 ATOM 179 CB VAL 24 14.095 -9.523 2.044 1.00 70.36 1SG 180 ATOM 180 CG1 VAL 24 12.815 -8.680 1.881 1.00 70.36 1SG 181 ATOM 181 CG2 VAL 24 13.802 -11.032 2.169 1.00 70.36 1SG 182 ATOM 182 C VAL 24 15.303 -7.883 0.688 1.00 70.36 1SG 183 ATOM 183 O VAL 24 16.174 -7.434 1.431 1.00 70.36 1SG 184 ATOM 184 N TRP 25 14.694 -7.158 -0.278 1.00 91.39 1SG 185 ATOM 185 CA TRP 25 15.303 -5.888 -0.515 1.00 91.39 1SG 186 ATOM 186 CB TRP 25 14.872 -5.135 -1.791 1.00 91.39 1SG 187 ATOM 187 CG TRP 25 13.562 -4.395 -1.786 1.00 91.39 1SG 188 ATOM 188 CD2 TRP 25 13.482 -3.015 -1.407 1.00 91.39 1SG 189 ATOM 189 CD1 TRP 25 12.305 -4.772 -2.158 1.00 91.39 1SG 190 ATOM 190 NE1 TRP 25 11.447 -3.700 -2.049 1.00 91.39 1SG 191 ATOM 191 CE2 TRP 25 12.161 -2.613 -1.587 1.00 91.39 1SG 192 ATOM 192 CE3 TRP 25 14.441 -2.153 -0.958 1.00 91.39 1SG 193 ATOM 193 CZ2 TRP 25 11.776 -1.330 -1.317 1.00 91.39 1SG 194 ATOM 194 CZ3 TRP 25 14.050 -0.865 -0.677 1.00 91.39 1SG 195 ATOM 195 CH2 TRP 25 12.742 -0.462 -0.855 1.00 91.39 1SG 196 ATOM 196 C TRP 25 15.104 -5.052 0.690 1.00 91.39 1SG 197 ATOM 197 O TRP 25 13.999 -4.656 1.058 1.00 91.39 1SG 198 ATOM 198 N GLU 26 16.243 -4.818 1.354 1.00 78.57 1SG 199 ATOM 199 CA GLU 26 16.318 -4.109 2.582 1.00 78.57 1SG 200 ATOM 200 CB GLU 26 17.092 -4.895 3.656 1.00 78.57 1SG 201 ATOM 201 CG GLU 26 17.285 -4.150 4.979 1.00 78.57 1SG 202 ATOM 202 CD GLU 26 18.112 -5.038 5.906 1.00 78.57 1SG 203 ATOM 203 OE1 GLU 26 18.578 -6.108 5.432 1.00 78.57 1SG 204 ATOM 204 OE2 GLU 26 18.292 -4.662 7.095 1.00 78.57 1SG 205 ATOM 205 C GLU 26 17.116 -2.901 2.288 1.00 78.57 1SG 206 ATOM 206 O GLU 26 18.016 -2.931 1.449 1.00 78.57 1SG 207 ATOM 207 N ILE 27 16.784 -1.793 2.960 1.00 82.20 1SG 208 ATOM 208 CA ILE 27 17.550 -0.614 2.753 1.00 82.20 1SG 209 ATOM 209 CB ILE 27 16.698 0.592 2.460 1.00 82.20 1SG 210 ATOM 210 CG2 ILE 27 15.650 0.757 3.578 1.00 82.20 1SG 211 ATOM 211 CG1 ILE 27 17.582 1.828 2.228 1.00 82.20 1SG 212 ATOM 212 CD1 ILE 27 16.821 3.021 1.651 1.00 82.20 1SG 213 ATOM 213 C ILE 27 18.295 -0.393 4.022 1.00 82.20 1SG 214 ATOM 214 O ILE 27 17.706 -0.235 5.091 1.00 82.20 1SG 215 ATOM 215 N ARG 28 19.636 -0.427 3.945 1.00 65.00 1SG 216 ATOM 216 CA ARG 28 20.371 -0.182 5.141 1.00 65.00 1SG 217 ATOM 217 CB ARG 28 21.379 -1.282 5.496 1.00 65.00 1SG 218 ATOM 218 CG ARG 28 20.710 -2.603 5.863 1.00 65.00 1SG 219 ATOM 219 CD ARG 28 21.698 -3.662 6.341 1.00 65.00 1SG 220 ATOM 220 NE ARG 28 20.911 -4.886 6.646 1.00 65.00 1SG 221 ATOM 221 CZ ARG 28 21.555 -6.078 6.791 1.00 65.00 1SG 222 ATOM 222 NH1 ARG 28 22.914 -6.132 6.672 1.00 65.00 1SG 223 ATOM 223 NH2 ARG 28 20.839 -7.213 7.036 1.00 65.00 1SG 224 ATOM 224 C ARG 28 21.138 1.071 4.927 1.00 65.00 1SG 225 ATOM 225 O ARG 28 22.035 1.129 4.088 1.00 65.00 1SG 226 ATOM 226 N ARG 29 20.766 2.110 5.689 1.00118.78 1SG 227 ATOM 227 CA ARG 29 21.425 3.371 5.664 1.00118.78 1SG 228 ATOM 228 CB ARG 29 20.459 4.451 5.190 1.00118.78 1SG 229 ATOM 229 CG ARG 29 21.022 5.817 4.806 1.00118.78 1SG 230 ATOM 230 CD ARG 29 20.011 6.543 3.912 1.00118.78 1SG 231 ATOM 231 NE ARG 29 20.342 7.995 3.830 1.00118.78 1SG 232 ATOM 232 CZ ARG 29 19.315 8.890 3.788 1.00118.78 1SG 233 ATOM 233 NH1 ARG 29 18.029 8.448 3.935 1.00118.78 1SG 234 ATOM 234 NH2 ARG 29 19.549 10.221 3.589 1.00118.78 1SG 235 ATOM 235 C ARG 29 21.770 3.544 7.094 1.00118.78 1SG 236 ATOM 236 O ARG 29 20.900 3.356 7.943 1.00118.78 1SG 237 ATOM 237 N ARG 30 23.048 3.867 7.383 1.00129.03 1SG 238 ATOM 238 CA ARG 30 23.525 3.902 8.737 1.00129.03 1SG 239 ATOM 239 CB ARG 30 24.956 4.487 8.799 1.00129.03 1SG 240 ATOM 240 CG ARG 30 25.821 4.088 10.000 1.00129.03 1SG 241 ATOM 241 CD ARG 30 26.455 2.693 9.889 1.00129.03 1SG 242 ATOM 242 NE ARG 30 27.543 2.613 10.909 1.00129.03 1SG 243 ATOM 243 CZ ARG 30 27.949 1.408 11.411 1.00129.03 1SG 244 ATOM 244 NH1 ARG 30 27.324 0.259 11.025 1.00129.03 1SG 245 ATOM 245 NH2 ARG 30 28.981 1.350 12.304 1.00129.03 1SG 246 ATOM 246 C ARG 30 22.578 4.771 9.520 1.00129.03 1SG 247 ATOM 247 O ARG 30 22.473 5.975 9.277 1.00129.03 1SG 248 ATOM 248 N LYS 31 21.844 4.151 10.475 1.00189.81 1SG 249 ATOM 249 CA LYS 31 20.889 4.894 11.252 1.00189.81 1SG 250 ATOM 250 CB LYS 31 21.621 5.872 12.196 1.00189.81 1SG 251 ATOM 251 CG LYS 31 20.714 6.690 13.114 1.00189.81 1SG 252 ATOM 252 CD LYS 31 21.479 7.638 14.048 1.00189.81 1SG 253 ATOM 253 CE LYS 31 21.347 9.124 13.702 1.00189.81 1SG 254 ATOM 254 NZ LYS 31 19.948 9.541 13.928 1.00189.81 1SG 255 ATOM 255 C LYS 31 19.988 5.674 10.320 1.00189.81 1SG 256 ATOM 256 O LYS 31 20.098 6.900 10.263 1.00189.81 1SG 257 ATOM 257 N THR 32 19.098 5.002 9.537 1.00231.37 1SG 258 ATOM 258 CA THR 32 18.399 5.838 8.599 1.00231.37 1SG 259 ATOM 259 CB THR 32 19.128 5.878 7.312 1.00231.37 1SG 260 ATOM 260 OG1 THR 32 20.525 6.057 7.550 1.00231.37 1SG 261 ATOM 261 CG2 THR 32 18.591 7.034 6.446 1.00231.37 1SG 262 ATOM 262 C THR 32 16.885 5.577 8.454 1.00231.37 1SG 263 ATOM 263 O THR 32 16.229 5.332 9.466 1.00231.37 1SG 264 ATOM 264 N ARG 33 16.287 5.633 7.209 1.00413.92 1SG 265 ATOM 265 CA ARG 33 14.858 5.930 7.098 1.00413.92 1SG 266 ATOM 266 CB ARG 33 14.822 7.454 6.801 1.00413.92 1SG 267 ATOM 267 CG ARG 33 15.826 8.212 7.705 1.00413.92 1SG 268 ATOM 268 CD ARG 33 16.744 9.283 7.073 1.00413.92 1SG 269 ATOM 269 NE ARG 33 17.865 9.504 8.052 1.00413.92 1SG 270 ATOM 270 CZ ARG 33 19.118 9.928 7.686 1.00413.92 1SG 271 ATOM 271 NH1 ARG 33 19.394 10.295 6.406 1.00413.92 1SG 272 ATOM 272 NH2 ARG 33 20.117 9.972 8.623 1.00413.92 1SG 273 ATOM 273 C ARG 33 14.095 5.230 5.946 1.00413.92 1SG 274 ATOM 274 O ARG 33 14.709 4.879 4.938 1.00413.92 1SG 275 ATOM 275 N HIS 34 12.734 4.985 6.087 1.00368.77 1SG 276 ATOM 276 CA HIS 34 11.831 4.618 4.975 1.00368.77 1SG 277 ATOM 277 ND1 HIS 34 11.426 5.367 2.059 1.00368.77 1SG 278 ATOM 278 CG HIS 34 11.724 4.094 2.504 1.00368.77 1SG 279 ATOM 279 CB HIS 34 12.460 3.809 3.803 1.00368.77 1SG 280 ATOM 280 NE2 HIS 34 10.469 3.963 0.627 1.00368.77 1SG 281 ATOM 281 CD2 HIS 34 11.136 3.250 1.611 1.00368.77 1SG 282 ATOM 282 CE1 HIS 34 10.672 5.230 0.938 1.00368.77 1SG 283 ATOM 283 C HIS 34 10.374 4.153 5.329 1.00368.77 1SG 284 ATOM 284 O HIS 34 9.865 4.436 6.413 1.00368.77 1SG 285 ATOM 285 N ARG 35 9.701 3.440 4.357 1.00304.32 1SG 286 ATOM 286 CA ARG 35 8.352 2.968 3.958 1.00304.32 1SG 287 ATOM 287 CB ARG 35 8.470 2.209 2.612 1.00304.32 1SG 288 ATOM 288 CG ARG 35 7.191 1.669 1.956 1.00304.32 1SG 289 ATOM 289 CD ARG 35 7.498 0.574 0.919 1.00304.32 1SG 290 ATOM 290 NE ARG 35 6.350 0.456 -0.028 1.00304.32 1SG 291 ATOM 291 CZ ARG 35 6.145 -0.700 -0.727 1.00304.32 1SG 292 ATOM 292 NH1 ARG 35 6.886 -1.814 -0.447 1.00304.32 1SG 293 ATOM 293 NH2 ARG 35 5.199 -0.743 -1.711 1.00304.32 1SG 294 ATOM 294 C ARG 35 7.504 2.066 4.859 1.00304.32 1SG 295 ATOM 295 O ARG 35 7.994 1.435 5.794 1.00304.32 1SG 296 ATOM 296 N GLY 36 6.153 2.028 4.564 1.00131.03 1SG 297 ATOM 297 CA GLY 36 5.148 1.153 5.170 1.00131.03 1SG 298 ATOM 298 C GLY 36 3.722 1.664 4.943 1.00131.03 1SG 299 ATOM 299 O GLY 36 3.480 2.863 5.075 1.00131.03 1SG 300 ATOM 300 N PRO 37 2.763 0.804 4.577 1.00126.01 1SG 301 ATOM 301 CA PRO 37 1.372 1.210 4.414 1.00126.01 1SG 302 ATOM 302 CD PRO 37 3.080 -0.313 3.697 1.00126.01 1SG 303 ATOM 303 CB PRO 37 0.676 0.075 3.665 1.00126.01 1SG 304 ATOM 304 CG PRO 37 1.813 -0.566 2.854 1.00126.01 1SG 305 ATOM 305 C PRO 37 0.593 1.644 5.629 1.00126.01 1SG 306 ATOM 306 O PRO 37 0.045 2.746 5.626 1.00126.01 1SG 307 ATOM 307 N LEU 38 0.521 0.787 6.668 1.00 53.54 1SG 308 ATOM 308 CA LEU 38 -0.144 1.106 7.903 1.00 53.54 1SG 309 ATOM 309 CB LEU 38 -1.260 0.123 8.332 1.00 53.54 1SG 310 ATOM 310 CG LEU 38 -1.858 0.423 9.730 1.00 53.54 1SG 311 ATOM 311 CD2 LEU 38 -2.711 -0.746 10.256 1.00 53.54 1SG 312 ATOM 312 CD1 LEU 38 -2.602 1.769 9.760 1.00 53.54 1SG 313 ATOM 313 C LEU 38 0.934 0.977 8.908 1.00 53.54 1SG 314 ATOM 314 O LEU 38 1.755 0.068 8.809 1.00 53.54 1SG 315 ATOM 315 N GLY 39 0.985 1.866 9.912 1.00 34.42 1SG 316 ATOM 316 CA GLY 39 2.121 1.704 10.757 1.00 34.42 1SG 317 ATOM 317 C GLY 39 1.729 1.538 12.182 1.00 34.42 1SG 318 ATOM 318 O GLY 39 0.833 2.203 12.701 1.00 34.42 1SG 319 ATOM 319 N ILE 40 2.452 0.605 12.827 1.00 92.46 1SG 320 ATOM 320 CA ILE 40 2.409 0.354 14.228 1.00 92.46 1SG 321 ATOM 321 CB ILE 40 2.140 -1.079 14.556 1.00 92.46 1SG 322 ATOM 322 CG2 ILE 40 3.198 -1.939 13.852 1.00 92.46 1SG 323 ATOM 323 CG1 ILE 40 2.003 -1.247 16.077 1.00 92.46 1SG 324 ATOM 324 CD1 ILE 40 1.495 -2.623 16.496 1.00 92.46 1SG 325 ATOM 325 C ILE 40 3.784 0.729 14.693 1.00 92.46 1SG 326 ATOM 326 O ILE 40 4.790 0.276 14.145 1.00 92.46 1SG 327 ATOM 327 N VAL 41 3.865 1.613 15.703 1.00 35.23 1SG 328 ATOM 328 CA VAL 41 5.154 2.100 16.093 1.00 35.23 1SG 329 ATOM 329 CB VAL 41 5.272 3.585 15.935 1.00 35.23 1SG 330 ATOM 330 CG1 VAL 41 6.677 4.014 16.388 1.00 35.23 1SG 331 ATOM 331 CG2 VAL 41 4.927 3.938 14.476 1.00 35.23 1SG 332 ATOM 332 C VAL 41 5.392 1.786 17.532 1.00 35.23 1SG 333 ATOM 333 O VAL 41 4.455 1.689 18.324 1.00 35.23 1SG 334 ATOM 334 N SER 42 6.679 1.577 17.892 1.00 76.46 1SG 335 ATOM 335 CA SER 42 7.018 1.323 19.261 1.00 76.46 1SG 336 ATOM 336 CB SER 42 6.770 -0.133 19.688 1.00 76.46 1SG 337 ATOM 337 OG SER 42 7.016 -0.285 21.079 1.00 76.46 1SG 338 ATOM 338 C SER 42 8.482 1.598 19.457 1.00 76.46 1SG 339 ATOM 339 O SER 42 9.287 1.475 18.533 1.00 76.46 1SG 340 ATOM 340 N GLY 43 8.858 1.991 20.692 1.00 39.32 1SG 341 ATOM 341 CA GLY 43 10.237 2.194 21.029 1.00 39.32 1SG 342 ATOM 342 C GLY 43 10.598 3.648 21.008 1.00 39.32 1SG 343 ATOM 343 O GLY 43 11.625 4.018 21.572 1.00 39.32 1SG 344 ATOM 344 N GLY 44 9.800 4.517 20.354 1.00 67.30 1SG 345 ATOM 345 CA GLY 44 10.162 5.913 20.310 1.00 67.30 1SG 346 ATOM 346 C GLY 44 9.706 6.617 21.560 1.00 67.30 1SG 347 ATOM 347 O GLY 44 8.581 6.425 22.020 1.00 67.30 1SG 348 ATOM 348 N ARG 45 10.591 7.460 22.141 1.00 87.46 1SG 349 ATOM 349 CA ARG 45 10.281 8.231 23.317 1.00 87.46 1SG 350 ATOM 350 CB ARG 45 11.515 8.902 23.942 1.00 87.46 1SG 351 ATOM 351 CG ARG 45 12.454 7.924 24.647 1.00 87.46 1SG 352 ATOM 352 CD ARG 45 13.649 8.608 25.312 1.00 87.46 1SG 353 ATOM 353 NE ARG 45 14.386 7.568 26.081 1.00 87.46 1SG 354 ATOM 354 CZ ARG 45 15.597 7.860 26.638 1.00 87.46 1SG 355 ATOM 355 NH1 ARG 45 16.144 9.099 26.469 1.00 87.46 1SG 356 ATOM 356 NH2 ARG 45 16.260 6.913 27.363 1.00 87.46 1SG 357 ATOM 357 C ARG 45 9.307 9.329 23.018 1.00 87.46 1SG 358 ATOM 358 O ARG 45 8.308 9.490 23.718 1.00 87.46 1SG 359 ATOM 359 N LEU 46 9.563 10.113 21.952 1.00190.79 1SG 360 ATOM 360 CA LEU 46 8.702 11.227 21.676 1.00190.79 1SG 361 ATOM 361 CB LEU 46 9.486 12.445 21.140 1.00190.79 1SG 362 ATOM 362 CG LEU 46 8.644 13.698 20.828 1.00190.79 1SG 363 ATOM 363 CD2 LEU 46 9.480 14.751 20.080 1.00190.79 1SG 364 ATOM 364 CD1 LEU 46 7.991 14.267 22.098 1.00190.79 1SG 365 ATOM 365 C LEU 46 7.755 10.758 20.627 1.00190.79 1SG 366 ATOM 366 O LEU 46 8.044 10.823 19.433 1.00190.79 1SG 367 ATOM 367 N ILE 47 6.574 10.279 21.058 1.00110.63 1SG 368 ATOM 368 CA ILE 47 5.663 9.728 20.104 1.00110.63 1SG 369 ATOM 369 CB ILE 47 5.230 8.338 20.492 1.00110.63 1SG 370 ATOM 370 CG2 ILE 47 4.531 8.386 21.861 1.00110.63 1SG 371 ATOM 371 CG1 ILE 47 4.430 7.671 19.366 1.00110.63 1SG 372 ATOM 372 CD1 ILE 47 4.290 6.161 19.552 1.00110.63 1SG 373 ATOM 373 C ILE 47 4.492 10.648 19.962 1.00110.63 1SG 374 ATOM 374 O ILE 47 3.626 10.753 20.829 1.00110.63 1SG 375 ATOM 375 N GLY 48 4.471 11.370 18.828 1.00 36.08 1SG 376 ATOM 376 CA GLY 48 3.457 12.334 18.522 1.00 36.08 1SG 377 ATOM 377 C GLY 48 2.124 11.702 18.257 1.00 36.08 1SG 378 ATOM 378 O GLY 48 1.094 12.250 18.643 1.00 36.08 1SG 379 ATOM 379 N GLN 49 2.099 10.534 17.586 1.00140.49 1SG 380 ATOM 380 CA GLN 49 0.846 10.000 17.122 1.00140.49 1SG 381 ATOM 381 CB GLN 49 0.942 8.890 16.056 1.00140.49 1SG 382 ATOM 382 CG GLN 49 1.443 7.542 16.579 1.00140.49 1SG 383 ATOM 383 CD GLN 49 2.941 7.431 16.352 1.00140.49 1SG 384 ATOM 384 OE1 GLN 49 3.417 6.408 15.862 1.00140.49 1SG 385 ATOM 385 NE2 GLN 49 3.705 8.493 16.715 1.00140.49 1SG 386 ATOM 386 C GLN 49 0.043 9.424 18.239 1.00140.49 1SG 387 ATOM 387 O GLN 49 0.410 9.488 19.412 1.00140.49 1SG 388 ATOM 388 N ALA 50 -1.127 8.867 17.858 1.00 27.66 1SG 389 ATOM 389 CA ALA 50 -2.047 8.262 18.772 1.00 27.66 1SG 390 ATOM 390 CB ALA 50 -3.310 7.710 18.088 1.00 27.66 1SG 391 ATOM 391 C ALA 50 -1.345 7.120 19.419 1.00 27.66 1SG 392 ATOM 392 O ALA 50 -0.488 6.478 18.814 1.00 27.66 1SG 393 ATOM 393 N ASP 51 -1.682 6.862 20.697 1.00 86.34 1SG 394 ATOM 394 CA ASP 51 -1.010 5.823 21.413 1.00 86.34 1SG 395 ATOM 395 CB ASP 51 -0.054 6.380 22.486 1.00 86.34 1SG 396 ATOM 396 CG ASP 51 0.835 5.263 23.019 1.00 86.34 1SG 397 ATOM 397 OD1 ASP 51 0.716 4.107 22.529 1.00 86.34 1SG 398 ATOM 398 OD2 ASP 51 1.656 5.560 23.925 1.00 86.34 1SG 399 ATOM 399 C ASP 51 -2.027 4.974 22.108 1.00 86.34 1SG 400 ATOM 400 O ASP 51 -3.009 5.473 22.658 1.00 86.34 1SG 401 ATOM 401 N LEU 52 -1.820 3.643 22.060 1.00149.28 1SG 402 ATOM 402 CA LEU 52 -2.639 2.701 22.765 1.00149.28 1SG 403 ATOM 403 CB LEU 52 -2.986 1.457 21.931 1.00149.28 1SG 404 ATOM 404 CG LEU 52 -3.978 0.485 22.593 1.00149.28 1SG 405 ATOM 405 CD2 LEU 52 -3.822 -0.930 22.024 1.00149.28 1SG 406 ATOM 406 CD1 LEU 52 -5.423 1.005 22.499 1.00149.28 1SG 407 ATOM 407 C LEU 52 -1.746 2.219 23.861 1.00149.28 1SG 408 ATOM 408 O LEU 52 -0.595 1.863 23.604 1.00149.28 1SG 409 ATOM 409 N VAL 53 -2.215 2.202 25.124 1.00 46.78 1SG 410 ATOM 410 CA VAL 53 -1.296 1.750 26.134 1.00 46.78 1SG 411 ATOM 411 CB VAL 53 -0.930 2.796 27.152 1.00 46.78 1SG 412 ATOM 412 CG1 VAL 53 0.022 2.180 28.199 1.00 46.78 1SG 413 ATOM 413 CG2 VAL 53 -0.354 4.008 26.410 1.00 46.78 1SG 414 ATOM 414 C VAL 53 -1.934 0.601 26.852 1.00 46.78 1SG 415 ATOM 415 O VAL 53 -3.155 0.464 26.863 1.00 46.78 1SG 416 ATOM 416 N GLY 54 -1.123 -0.286 27.458 1.00 21.75 1SG 417 ATOM 417 CA GLY 54 -1.713 -1.421 28.106 1.00 21.75 1SG 418 ATOM 418 C GLY 54 -1.060 -1.676 29.427 1.00 21.75 1SG 419 ATOM 419 O GLY 54 0.111 -1.361 29.634 1.00 21.75 1SG 420 ATOM 420 N VAL 55 -1.840 -2.267 30.358 1.00 66.90 1SG 421 ATOM 421 CA VAL 55 -1.377 -2.624 31.671 1.00 66.90 1SG 422 ATOM 422 CB VAL 55 -1.723 -1.619 32.751 1.00 66.90 1SG 423 ATOM 423 CG1 VAL 55 -1.838 -2.294 34.134 1.00 66.90 1SG 424 ATOM 424 CG2 VAL 55 -0.549 -0.625 32.806 1.00 66.90 1SG 425 ATOM 425 C VAL 55 -1.902 -3.959 32.072 1.00 66.90 1SG 426 ATOM 426 O VAL 55 -2.971 -4.390 31.645 1.00 66.90 1SG 427 ATOM 427 N GLU 56 -1.079 -4.675 32.866 1.00 46.96 1SG 428 ATOM 428 CA GLU 56 -1.462 -5.885 33.520 1.00 46.96 1SG 429 ATOM 429 CB GLU 56 -0.691 -7.126 33.039 1.00 46.96 1SG 430 ATOM 430 CG GLU 56 -1.045 -7.499 31.596 1.00 46.96 1SG 431 ATOM 431 CD GLU 56 -0.280 -8.756 31.207 1.00 46.96 1SG 432 ATOM 432 OE1 GLU 56 0.462 -9.292 32.072 1.00 46.96 1SG 433 ATOM 433 OE2 GLU 56 -0.434 -9.199 30.038 1.00 46.96 1SG 434 ATOM 434 C GLU 56 -1.138 -5.616 34.957 1.00 46.96 1SG 435 ATOM 435 O GLU 56 -0.050 -5.135 35.275 1.00 46.96 1SG 436 ATOM 436 N GLY 57 -2.091 -5.896 35.863 1.00 34.36 1SG 437 ATOM 437 CA GLY 57 -1.922 -5.546 37.246 1.00 34.36 1SG 438 ATOM 438 C GLY 57 -0.760 -6.262 37.863 1.00 34.36 1SG 439 ATOM 439 O GLY 57 0.038 -5.654 38.576 1.00 34.36 1SG 440 ATOM 440 N PRO 58 -0.638 -7.534 37.624 1.00124.16 1SG 441 ATOM 441 CA PRO 58 0.435 -8.292 38.209 1.00124.16 1SG 442 ATOM 442 CD PRO 58 -1.800 -8.367 37.360 1.00124.16 1SG 443 ATOM 443 CB PRO 58 0.026 -9.766 38.093 1.00124.16 1SG 444 ATOM 444 CG PRO 58 -1.208 -9.769 37.172 1.00124.16 1SG 445 ATOM 445 C PRO 58 1.749 -7.980 37.577 1.00124.16 1SG 446 ATOM 446 O PRO 58 2.773 -8.463 38.058 1.00124.16 1SG 447 ATOM 447 N PHE 59 1.749 -7.167 36.510 1.00262.61 1SG 448 ATOM 448 CA PHE 59 2.935 -6.963 35.735 1.00262.61 1SG 449 ATOM 449 CB PHE 59 2.591 -6.554 34.300 1.00262.61 1SG 450 ATOM 450 CG PHE 59 3.868 -6.380 33.574 1.00262.61 1SG 451 ATOM 451 CD1 PHE 59 4.557 -7.480 33.123 1.00262.61 1SG 452 ATOM 452 CD2 PHE 59 4.361 -5.121 33.338 1.00262.61 1SG 453 ATOM 453 CE1 PHE 59 5.741 -7.329 32.443 1.00262.61 1SG 454 ATOM 454 CE2 PHE 59 5.541 -4.966 32.659 1.00262.61 1SG 455 ATOM 455 CZ PHE 59 6.232 -6.068 32.212 1.00262.61 1SG 456 ATOM 456 C PHE 59 3.813 -5.901 36.330 1.00262.61 1SG 457 ATOM 457 O PHE 59 3.342 -4.908 36.881 1.00262.61 1SG 458 ATOM 458 N SER 60 5.143 -6.127 36.253 1.00198.98 1SG 459 ATOM 459 CA SER 60 6.124 -5.191 36.730 1.00198.98 1SG 460 ATOM 460 CB SER 60 6.555 -5.440 38.188 1.00198.98 1SG 461 ATOM 461 OG SER 60 7.607 -4.555 38.545 1.00198.98 1SG 462 ATOM 462 C SER 60 7.337 -5.359 35.863 1.00198.98 1SG 463 ATOM 463 O SER 60 7.477 -6.377 35.188 1.00198.98 1SG 464 ATOM 464 N VAL 61 8.233 -4.346 35.827 1.00 85.12 1SG 465 ATOM 465 CA VAL 61 9.428 -4.444 35.028 1.00 85.12 1SG 466 ATOM 466 CB VAL 61 9.418 -3.593 33.786 1.00 85.12 1SG 467 ATOM 467 CG1 VAL 61 10.826 -3.596 33.163 1.00 85.12 1SG 468 ATOM 468 CG2 VAL 61 8.350 -4.115 32.826 1.00 85.12 1SG 469 ATOM 469 C VAL 61 10.560 -3.878 35.810 1.00 85.12 1SG 470 ATOM 470 O VAL 61 10.379 -2.922 36.563 1.00 85.12 1SG 471 ATOM 471 N GLU 62 11.767 -4.463 35.676 1.00294.16 1SG 472 ATOM 472 CA GLU 62 12.851 -3.752 36.268 1.00294.16 1SG 473 ATOM 473 CB GLU 62 13.241 -4.086 37.722 1.00294.16 1SG 474 ATOM 474 CG GLU 62 13.986 -2.879 38.319 1.00294.16 1SG 475 ATOM 475 CD GLU 62 14.413 -3.110 39.758 1.00294.16 1SG 476 ATOM 476 OE1 GLU 62 14.021 -4.149 40.351 1.00294.16 1SG 477 ATOM 477 OE2 GLU 62 15.143 -2.227 40.284 1.00294.16 1SG 478 ATOM 478 C GLU 62 14.060 -3.866 35.401 1.00294.16 1SG 479 ATOM 479 O GLU 62 14.127 -4.661 34.463 1.00294.16 1SG 480 ATOM 480 N GLU 63 15.014 -2.971 35.697 1.00321.88 1SG 481 ATOM 481 CA GLU 63 16.285 -2.767 35.082 1.00321.88 1SG 482 ATOM 482 CB GLU 63 16.198 -2.788 33.557 1.00321.88 1SG 483 ATOM 483 CG GLU 63 17.434 -2.212 32.869 1.00321.88 1SG 484 ATOM 484 CD GLU 63 16.935 -1.537 31.599 1.00321.88 1SG 485 ATOM 485 OE1 GLU 63 15.691 -1.369 31.485 1.00321.88 1SG 486 ATOM 486 OE2 GLU 63 17.777 -1.160 30.741 1.00321.88 1SG 487 ATOM 487 C GLU 63 16.495 -1.337 35.408 1.00321.88 1SG 488 ATOM 488 O GLU 63 16.166 -0.484 34.586 1.00321.88 1SG 489 ATOM 489 N LEU 64 17.059 -1.033 36.596 1.00281.88 1SG 490 ATOM 490 CA LEU 64 17.128 0.310 37.124 1.00281.88 1SG 491 ATOM 491 CB LEU 64 18.359 1.108 36.632 1.00281.88 1SG 492 ATOM 492 CG LEU 64 19.686 0.811 37.364 1.00281.88 1SG 493 ATOM 493 CD2 LEU 64 20.014 -0.692 37.388 1.00281.88 1SG 494 ATOM 494 CD1 LEU 64 19.693 1.444 38.766 1.00281.88 1SG 495 ATOM 495 C LEU 64 15.894 1.116 36.784 1.00281.88 1SG 496 ATOM 496 O LEU 64 15.965 2.344 36.745 1.00281.88 1SG 497 ATOM 497 N LEU 65 14.721 0.461 36.589 1.00334.12 1SG 498 ATOM 498 CA LEU 65 13.468 1.112 36.288 1.00334.12 1SG 499 ATOM 499 CB LEU 65 13.283 1.455 34.786 1.00334.12 1SG 500 ATOM 500 CG LEU 65 14.190 2.573 34.196 1.00334.12 1SG 501 ATOM 501 CD2 LEU 65 13.616 3.091 32.869 1.00334.12 1SG 502 ATOM 502 CD1 LEU 65 15.665 2.163 34.038 1.00334.12 1SG 503 ATOM 503 C LEU 65 12.359 0.155 36.687 1.00334.12 1SG 504 ATOM 504 O LEU 65 12.549 -1.055 36.604 1.00334.12 1SG 505 ATOM 505 N ALA 66 11.174 0.651 37.142 1.00287.59 1SG 506 ATOM 506 CA ALA 66 10.088 -0.226 37.547 1.00287.59 1SG 507 ATOM 507 CB ALA 66 10.279 -0.831 38.948 1.00287.59 1SG 508 ATOM 508 C ALA 66 8.792 0.555 37.555 1.00287.59 1SG 509 ATOM 509 O ALA 66 8.817 1.775 37.396 1.00287.59 1SG 510 ATOM 510 N HIS 67 7.615 -0.116 37.730 1.00121.05 1SG 511 ATOM 511 CA HIS 67 6.381 0.637 37.642 1.00121.05 1SG 512 ATOM 512 ND1 HIS 67 6.804 -1.084 34.684 1.00121.05 1SG 513 ATOM 513 CG HIS 67 6.665 0.201 35.160 1.00121.05 1SG 514 ATOM 514 CB HIS 67 5.716 0.542 36.265 1.00121.05 1SG 515 ATOM 515 NE2 HIS 67 8.200 0.183 33.509 1.00121.05 1SG 516 ATOM 516 CD2 HIS 67 7.525 0.963 34.433 1.00121.05 1SG 517 ATOM 517 CE1 HIS 67 7.733 -1.038 33.698 1.00121.05 1SG 518 ATOM 518 C HIS 67 5.314 0.032 38.524 1.00121.05 1SG 519 ATOM 519 O HIS 67 5.517 -0.995 39.172 1.00121.05 1SG 520 ATOM 520 N GLN 68 4.134 0.710 38.559 1.00 96.79 1SG 521 ATOM 521 CA GLN 68 2.909 0.246 39.171 1.00 96.79 1SG 522 ATOM 522 CB GLN 68 2.718 0.541 40.671 1.00 96.79 1SG 523 ATOM 523 CG GLN 68 1.495 -0.197 41.234 1.00 96.79 1SG 524 ATOM 524 CD GLN 68 1.225 0.249 42.664 1.00 96.79 1SG 525 ATOM 525 OE1 GLN 68 1.128 -0.569 43.578 1.00 96.79 1SG 526 ATOM 526 NE2 GLN 68 1.073 1.586 42.861 1.00 96.79 1SG 527 ATOM 527 C GLN 68 1.773 0.907 38.421 1.00 96.79 1SG 528 ATOM 528 O GLN 68 2.009 1.791 37.600 1.00 96.79 1SG 529 ATOM 529 N GLU 69 0.507 0.487 38.676 1.00121.08 1SG 530 ATOM 530 CA GLU 69 -0.641 0.935 37.914 1.00121.08 1SG 531 ATOM 531 CB GLU 69 -1.947 0.162 38.193 1.00121.08 1SG 532 ATOM 532 CG GLU 69 -2.553 0.367 39.584 1.00121.08 1SG 533 ATOM 533 CD GLU 69 -2.339 -0.897 40.403 1.00121.08 1SG 534 ATOM 534 OE1 GLU 69 -1.536 -1.762 39.964 1.00121.08 1SG 535 ATOM 535 OE2 GLU 69 -2.990 -1.018 41.475 1.00121.08 1SG 536 ATOM 536 C GLU 69 -0.981 2.394 38.068 1.00121.08 1SG 537 ATOM 537 O GLU 69 -1.253 3.062 37.072 1.00121.08 1SG 538 ATOM 538 N LYS 70 -0.961 2.954 39.293 1.00 90.13 1SG 539 ATOM 539 CA LYS 70 -1.393 4.320 39.458 1.00 90.13 1SG 540 ATOM 540 CB LYS 70 -1.319 4.858 40.904 1.00 90.13 1SG 541 ATOM 541 CG LYS 70 -2.515 4.533 41.811 1.00 90.13 1SG 542 ATOM 542 CD LYS 70 -2.570 3.108 42.362 1.00 90.13 1SG 543 ATOM 543 CE LYS 70 -3.660 2.929 43.424 1.00 90.13 1SG 544 ATOM 544 NZ LYS 70 -3.534 1.607 44.077 1.00 90.13 1SG 545 ATOM 545 C LYS 70 -0.514 5.201 38.631 1.00 90.13 1SG 546 ATOM 546 O LYS 70 -0.911 6.282 38.198 1.00 90.13 1SG 547 ATOM 547 N HIS 71 0.711 4.721 38.396 1.00102.83 1SG 548 ATOM 548 CA HIS 71 1.811 5.383 37.765 1.00102.83 1SG 549 ATOM 549 ND1 HIS 71 2.455 3.439 40.148 1.00102.83 1SG 550 ATOM 550 CG HIS 71 3.286 4.235 39.388 1.00102.83 1SG 551 ATOM 551 CB HIS 71 3.069 4.512 37.922 1.00102.83 1SG 552 ATOM 552 NE2 HIS 71 4.016 4.215 41.527 1.00102.83 1SG 553 ATOM 553 CD2 HIS 71 4.235 4.699 40.248 1.00102.83 1SG 554 ATOM 554 CE1 HIS 71 2.936 3.464 41.417 1.00102.83 1SG 555 ATOM 555 C HIS 71 1.528 5.740 36.321 1.00102.83 1SG 556 ATOM 556 O HIS 71 2.161 6.651 35.790 1.00102.83 1SG 557 ATOM 557 N LEU 72 0.576 5.061 35.643 1.00 68.57 1SG 558 ATOM 558 CA LEU 72 0.291 5.261 34.233 1.00 68.57 1SG 559 ATOM 559 CB LEU 72 -1.026 4.584 33.803 1.00 68.57 1SG 560 ATOM 560 CG LEU 72 -1.074 3.065 34.085 1.00 68.57 1SG 561 ATOM 561 CD2 LEU 72 0.134 2.339 33.462 1.00 68.57 1SG 562 ATOM 562 CD1 LEU 72 -2.431 2.459 33.675 1.00 68.57 1SG 563 ATOM 563 C LEU 72 0.149 6.737 33.928 1.00 68.57 1SG 564 ATOM 564 O LEU 72 -0.276 7.520 34.776 1.00 68.57 1SG 565 ATOM 565 N ALA 73 0.528 7.158 32.690 1.00 77.78 1SG 566 ATOM 566 CA ALA 73 0.523 8.560 32.324 1.00 77.78 1SG 567 ATOM 567 CB ALA 73 1.923 9.199 32.363 1.00 77.78 1SG 568 ATOM 568 C ALA 73 -0.002 8.775 30.922 1.00 77.78 1SG 569 ATOM 569 O ALA 73 -0.159 7.835 30.144 1.00 77.78 1SG 570 ATOM 570 N GLU 74 -0.314 10.056 30.584 1.00306.20 1SG 571 ATOM 571 CA GLU 74 -0.846 10.433 29.293 1.00306.20 1SG 572 ATOM 572 CB GLU 74 -2.376 10.260 29.281 1.00306.20 1SG 573 ATOM 573 CG GLU 74 -3.049 10.155 27.913 1.00306.20 1SG 574 ATOM 574 CD GLU 74 -4.440 9.575 28.172 1.00306.20 1SG 575 ATOM 575 OE1 GLU 74 -4.682 9.118 29.321 1.00306.20 1SG 576 ATOM 576 OE2 GLU 74 -5.279 9.585 27.233 1.00306.20 1SG 577 ATOM 577 C GLU 74 -0.503 11.894 29.058 1.00306.20 1SG 578 ATOM 578 O GLU 74 -0.229 12.610 30.021 1.00306.20 1SG 579 ATOM 579 N GLU 75 -0.478 12.383 27.781 1.00352.77 1SG 580 ATOM 580 CA GLU 75 -0.133 13.777 27.527 1.00352.77 1SG 581 ATOM 581 CB GLU 75 1.370 14.033 27.532 1.00352.77 1SG 582 ATOM 582 CG GLU 75 1.716 15.494 27.286 1.00352.77 1SG 583 ATOM 583 CD GLU 75 3.002 15.452 26.495 1.00352.77 1SG 584 ATOM 584 OE1 GLU 75 3.619 14.355 26.445 1.00352.77 1SG 585 ATOM 585 OE2 GLU 75 3.373 16.502 25.908 1.00352.77 1SG 586 ATOM 586 C GLU 75 -0.624 14.224 26.163 1.00352.77 1SG 587 ATOM 587 O GLU 75 -0.896 13.379 25.312 1.00352.77 1SG 588 ATOM 588 N ALA 76 -0.743 15.567 25.905 1.00286.93 1SG 589 ATOM 589 CA ALA 76 -1.381 16.054 24.691 1.00286.93 1SG 590 ATOM 590 CB ALA 76 -2.812 16.584 24.853 1.00286.93 1SG 591 ATOM 591 C ALA 76 -0.783 17.289 24.086 1.00286.93 1SG 592 ATOM 592 O ALA 76 0.276 17.801 24.459 1.00286.93 1SG 593 ATOM 593 N PHE 77 -1.522 17.712 23.032 1.00292.94 1SG 594 ATOM 594 CA PHE 77 -1.528 18.877 22.198 1.00292.94 1SG 595 ATOM 595 CB PHE 77 -0.255 19.168 21.386 1.00292.94 1SG 596 ATOM 596 CG PHE 77 -0.675 20.309 20.516 1.00292.94 1SG 597 ATOM 597 CD1 PHE 77 -0.880 21.550 21.071 1.00292.94 1SG 598 ATOM 598 CD2 PHE 77 -0.879 20.150 19.163 1.00292.94 1SG 599 ATOM 599 CE1 PHE 77 -1.274 22.618 20.300 1.00292.94 1SG 600 ATOM 600 CE2 PHE 77 -1.273 21.214 18.383 1.00292.94 1SG 601 ATOM 601 CZ PHE 77 -1.471 22.451 18.951 1.00292.94 1SG 602 ATOM 602 C PHE 77 -2.583 18.624 21.162 1.00292.94 1SG 603 ATOM 603 O PHE 77 -2.314 17.964 20.160 1.00292.94 1SG 604 ATOM 604 N LEU 78 -3.801 19.177 21.357 1.00319.30 1SG 605 ATOM 605 CA LEU 78 -4.854 19.014 20.391 1.00319.30 1SG 606 ATOM 606 CB LEU 78 -6.218 18.559 20.956 1.00319.30 1SG 607 ATOM 607 CG LEU 78 -7.351 18.465 19.900 1.00319.30 1SG 608 ATOM 608 CD2 LEU 78 -8.738 18.704 20.515 1.00319.30 1SG 609 ATOM 609 CD1 LEU 78 -7.286 17.171 19.079 1.00319.30 1SG 610 ATOM 610 C LEU 78 -5.096 20.365 19.827 1.00319.30 1SG 611 ATOM 611 O LEU 78 -4.752 21.377 20.434 1.00319.30 1SG 612 ATOM 612 N ARG 79 -5.684 20.406 18.625 1.00331.64 1SG 613 ATOM 613 CA ARG 79 -5.938 21.639 17.954 1.00331.64 1SG 614 ATOM 614 CB ARG 79 -4.668 22.078 17.199 1.00331.64 1SG 615 ATOM 615 CG ARG 79 -4.676 23.379 16.392 1.00331.64 1SG 616 ATOM 616 CD ARG 79 -3.288 23.596 15.777 1.00331.64 1SG 617 ATOM 617 NE ARG 79 -3.259 24.860 14.993 1.00331.64 1SG 618 ATOM 618 CZ ARG 79 -2.075 25.235 14.423 1.00331.64 1SG 619 ATOM 619 NH1 ARG 79 -0.964 24.457 14.579 1.00331.64 1SG 620 ATOM 620 NH2 ARG 79 -1.997 26.374 13.676 1.00331.64 1SG 621 ATOM 621 C ARG 79 -6.976 21.261 16.963 1.00331.64 1SG 622 ATOM 622 O ARG 79 -7.248 20.072 16.804 1.00331.64 1SG 623 ATOM 623 N ALA 80 -7.619 22.212 16.265 1.00177.87 1SG 624 ATOM 624 CA ALA 80 -8.463 21.667 15.241 1.00177.87 1SG 625 ATOM 625 CB ALA 80 -9.589 22.622 14.800 1.00177.87 1SG 626 ATOM 626 C ALA 80 -7.535 21.466 14.082 1.00177.87 1SG 627 ATOM 627 O ALA 80 -7.700 22.059 13.017 1.00177.87 1SG 628 ATOM 628 N TYR 81 -6.532 20.588 14.297 1.00240.38 1SG 629 ATOM 629 CA TYR 81 -5.491 20.273 13.376 1.00240.38 1SG 630 ATOM 630 CB TYR 81 -4.408 21.376 13.290 1.00240.38 1SG 631 ATOM 631 CG TYR 81 -5.036 22.598 12.687 1.00240.38 1SG 632 ATOM 632 CD1 TYR 81 -5.222 22.682 11.322 1.00240.38 1SG 633 ATOM 633 CD2 TYR 81 -5.465 23.643 13.475 1.00240.38 1SG 634 ATOM 634 CE1 TYR 81 -5.802 23.788 10.745 1.00240.38 1SG 635 ATOM 635 CE2 TYR 81 -6.045 24.753 12.902 1.00240.38 1SG 636 ATOM 636 CZ TYR 81 -6.214 24.829 11.538 1.00240.38 1SG 637 ATOM 637 OH TYR 81 -6.810 25.968 10.955 1.00240.38 1SG 638 ATOM 638 C TYR 81 -4.872 18.977 13.841 1.00240.38 1SG 639 ATOM 639 O TYR 81 -4.811 18.004 13.092 1.00240.38 1SG 640 ATOM 640 N ALA 82 -4.380 18.956 15.110 1.00223.92 1SG 641 ATOM 641 CA ALA 82 -3.691 17.828 15.704 1.00223.92 1SG 642 ATOM 642 CB ALA 82 -2.233 18.137 16.094 1.00223.92 1SG 643 ATOM 643 C ALA 82 -4.403 17.415 16.966 1.00223.92 1SG 644 ATOM 644 O ALA 82 -5.330 18.096 17.401 1.00223.92 1SG 645 ATOM 645 N LYS 83 -4.007 16.263 17.575 1.00231.23 1SG 646 ATOM 646 CA LYS 83 -4.705 15.789 18.749 1.00231.23 1SG 647 ATOM 647 CB LYS 83 -5.364 14.408 18.622 1.00231.23 1SG 648 ATOM 648 CG LYS 83 -6.152 14.135 19.906 1.00231.23 1SG 649 ATOM 649 CD LYS 83 -6.898 12.807 19.992 1.00231.23 1SG 650 ATOM 650 CE LYS 83 -7.500 12.602 21.384 1.00231.23 1SG 651 ATOM 651 NZ LYS 83 -7.761 11.167 21.629 1.00231.23 1SG 652 ATOM 652 C LYS 83 -3.833 15.688 19.957 1.00231.23 1SG 653 ATOM 653 O LYS 83 -4.106 16.325 20.973 1.00231.23 1SG 654 ATOM 654 N ASP 84 -2.749 14.892 19.875 1.00262.59 1SG 655 ATOM 655 CA ASP 84 -2.015 14.462 21.029 1.00262.59 1SG 656 ATOM 656 CB ASP 84 -0.959 15.376 21.638 1.00262.59 1SG 657 ATOM 657 CG ASP 84 -0.090 14.462 22.492 1.00262.59 1SG 658 ATOM 658 OD1 ASP 84 -0.273 13.218 22.383 1.00262.59 1SG 659 ATOM 659 OD2 ASP 84 0.762 14.989 23.255 1.00262.59 1SG 660 ATOM 660 C ASP 84 -3.018 13.919 21.997 1.00262.59 1SG 661 ATOM 661 O ASP 84 -3.995 13.402 21.451 1.00262.59 1SG 662 ATOM 662 N GLU 85 -3.022 14.176 23.356 1.00234.63 1SG 663 ATOM 663 CA GLU 85 -3.495 13.343 24.518 1.00234.63 1SG 664 ATOM 664 CB GLU 85 -4.228 14.141 25.638 1.00234.63 1SG 665 ATOM 665 CG GLU 85 -3.411 14.574 26.873 1.00234.63 1SG 666 ATOM 666 CD GLU 85 -3.909 15.878 27.494 1.00234.63 1SG 667 ATOM 667 OE1 GLU 85 -5.147 16.055 27.670 1.00234.63 1SG 668 ATOM 668 OE2 GLU 85 -3.032 16.718 27.814 1.00234.63 1SG 669 ATOM 669 C GLU 85 -4.380 12.156 24.170 1.00234.63 1SG 670 ATOM 670 O GLU 85 -5.406 11.792 24.755 1.00234.63 1SG 671 ATOM 671 N PRO 86 -3.778 11.617 23.157 1.00184.64 1SG 672 ATOM 672 CA PRO 86 -4.226 10.713 22.148 1.00184.64 1SG 673 ATOM 673 CD PRO 86 -2.356 11.355 23.373 1.00184.64 1SG 674 ATOM 674 CB PRO 86 -3.101 10.743 21.131 1.00184.64 1SG 675 ATOM 675 CG PRO 86 -1.835 10.858 22.010 1.00184.64 1SG 676 ATOM 676 C PRO 86 -4.384 9.340 22.591 1.00184.64 1SG 677 ATOM 677 O PRO 86 -4.748 8.556 21.722 1.00184.64 1SG 678 ATOM 678 N LEU 87 -4.035 9.038 23.854 1.00105.86 1SG 679 ATOM 679 CA LEU 87 -4.034 7.702 24.350 1.00105.86 1SG 680 ATOM 680 CB LEU 87 -3.746 7.765 25.868 1.00105.86 1SG 681 ATOM 681 CG LEU 87 -2.885 6.630 26.440 1.00105.86 1SG 682 ATOM 682 CD2 LEU 87 -2.803 6.681 27.977 1.00105.86 1SG 683 ATOM 683 CD1 LEU 87 -1.502 6.669 25.774 1.00105.86 1SG 684 ATOM 684 C LEU 87 -5.437 7.257 24.045 1.00105.86 1SG 685 ATOM 685 O LEU 87 -6.385 7.621 24.739 1.00105.86 1SG 686 ATOM 686 N TYR 88 -5.591 6.485 22.945 1.00150.06 1SG 687 ATOM 687 CA TYR 88 -6.885 6.232 22.389 1.00150.06 1SG 688 ATOM 688 CB TYR 88 -6.824 5.754 20.931 1.00150.06 1SG 689 ATOM 689 CG TYR 88 -8.213 5.834 20.404 1.00150.06 1SG 690 ATOM 690 CD1 TYR 88 -8.807 7.061 20.218 1.00150.06 1SG 691 ATOM 691 CD2 TYR 88 -8.913 4.698 20.076 1.00150.06 1SG 692 ATOM 692 CE1 TYR 88 -10.087 7.157 19.726 1.00150.06 1SG 693 ATOM 693 CE2 TYR 88 -10.193 4.790 19.583 1.00150.06 1SG 694 ATOM 694 CZ TYR 88 -10.785 6.018 19.408 1.00150.06 1SG 695 ATOM 695 OH TYR 88 -12.099 6.109 18.901 1.00150.06 1SG 696 ATOM 696 C TYR 88 -7.615 5.245 23.202 1.00150.06 1SG 697 ATOM 697 O TYR 88 -8.770 5.454 23.567 1.00150.06 1SG 698 ATOM 698 N ALA 89 -6.950 4.133 23.532 1.00 40.72 1SG 699 ATOM 699 CA ALA 89 -7.672 3.180 24.304 1.00 40.72 1SG 700 ATOM 700 CB ALA 89 -8.289 2.065 23.448 1.00 40.72 1SG 701 ATOM 701 C ALA 89 -6.711 2.543 25.240 1.00 40.72 1SG 702 ATOM 702 O ALA 89 -5.551 2.325 24.895 1.00 40.72 1SG 703 ATOM 703 N TRP 90 -7.181 2.226 26.461 1.00112.10 1SG 704 ATOM 704 CA TRP 90 -6.300 1.609 27.394 1.00112.10 1SG 705 ATOM 705 CB TRP 90 -6.469 2.071 28.844 1.00112.10 1SG 706 ATOM 706 CG TRP 90 -5.446 1.340 29.661 1.00112.10 1SG 707 ATOM 707 CD2 TRP 90 -4.118 1.834 29.900 1.00112.10 1SG 708 ATOM 708 CD1 TRP 90 -5.522 0.119 30.264 1.00112.10 1SG 709 ATOM 709 NE1 TRP 90 -4.330 -0.158 30.896 1.00112.10 1SG 710 ATOM 710 CE2 TRP 90 -3.455 0.889 30.675 1.00112.10 1SG 711 ATOM 711 CE3 TRP 90 -3.494 2.983 29.514 1.00112.10 1SG 712 ATOM 712 CZ2 TRP 90 -2.164 1.093 31.077 1.00112.10 1SG 713 ATOM 713 CZ3 TRP 90 -2.185 3.171 29.916 1.00112.10 1SG 714 ATOM 714 CH2 TRP 90 -1.523 2.246 30.693 1.00112.10 1SG 715 ATOM 715 C TRP 90 -6.637 0.158 27.366 1.00112.10 1SG 716 ATOM 716 O TRP 90 -7.804 -0.218 27.354 1.00112.10 1SG 717 ATOM 717 N VAL 91 -5.622 -0.711 27.308 1.00 52.74 1SG 718 ATOM 718 CA VAL 91 -5.935 -2.101 27.250 1.00 52.74 1SG 719 ATOM 719 CB VAL 91 -5.161 -2.719 26.127 1.00 52.74 1SG 720 ATOM 720 CG1 VAL 91 -5.385 -4.224 26.170 1.00 52.74 1SG 721 ATOM 721 CG2 VAL 91 -5.562 -2.047 24.797 1.00 52.74 1SG 722 ATOM 722 C VAL 91 -5.473 -2.668 28.563 1.00 52.74 1SG 723 ATOM 723 O VAL 91 -4.273 -2.679 28.819 1.00 52.74 1SG 724 ATOM 724 N LEU 92 -6.399 -3.115 29.445 1.00110.49 1SG 725 ATOM 725 CA LEU 92 -6.040 -3.636 30.739 1.00110.49 1SG 726 ATOM 726 CB LEU 92 -6.308 -2.660 31.895 1.00110.49 1SG 727 ATOM 727 CG LEU 92 -6.152 -3.331 33.271 1.00110.49 1SG 728 ATOM 728 CD2 LEU 92 -6.902 -2.562 34.363 1.00110.49 1SG 729 ATOM 729 CD1 LEU 92 -4.685 -3.597 33.619 1.00110.49 1SG 730 ATOM 730 C LEU 92 -6.888 -4.829 31.013 1.00110.49 1SG 731 ATOM 731 O LEU 92 -8.001 -4.951 30.500 1.00110.49 1SG 732 ATOM 732 N GLU 93 -6.318 -5.771 31.786 1.00 91.73 1SG 733 ATOM 733 CA GLU 93 -7.000 -6.940 32.232 1.00 91.73 1SG 734 ATOM 734 CB GLU 93 -6.025 -7.998 32.767 1.00 91.73 1SG 735 ATOM 735 CG GLU 93 -5.059 -7.500 33.843 1.00 91.73 1SG 736 ATOM 736 CD GLU 93 -3.994 -8.579 34.017 1.00 91.73 1SG 737 ATOM 737 OE1 GLU 93 -4.135 -9.658 33.381 1.00 91.73 1SG 738 ATOM 738 OE2 GLU 93 -3.019 -8.337 34.780 1.00 91.73 1SG 739 ATOM 739 C GLU 93 -7.998 -6.563 33.285 1.00 91.73 1SG 740 ATOM 740 O GLU 93 -9.100 -7.105 33.308 1.00 91.73 1SG 741 ATOM 741 N ASN 94 -7.644 -5.611 34.176 1.00 95.88 1SG 742 ATOM 742 CA ASN 94 -8.501 -5.203 35.261 1.00 95.88 1SG 743 ATOM 743 CB ASN 94 -7.726 -4.658 36.477 1.00 95.88 1SG 744 ATOM 744 CG ASN 94 -8.638 -4.659 37.698 1.00 95.88 1SG 745 ATOM 745 OD1 ASN 94 -8.286 -4.109 38.740 1.00 95.88 1SG 746 ATOM 746 ND2 ASN 94 -9.841 -5.282 37.565 1.00 95.88 1SG 747 ATOM 747 C ASN 94 -9.369 -4.104 34.737 1.00 95.88 1SG 748 ATOM 748 O ASN 94 -9.505 -3.952 33.527 1.00 95.88 1SG 749 ATOM 749 N ALA 95 -10.016 -3.329 35.633 1.00 48.49 1SG 750 ATOM 750 CA ALA 95 -10.824 -2.224 35.207 1.00 48.49 1SG 751 ATOM 751 CB ALA 95 -12.260 -2.264 35.762 1.00 48.49 1SG 752 ATOM 752 C ALA 95 -10.184 -0.981 35.744 1.00 48.49 1SG 753 ATOM 753 O ALA 95 -9.627 -0.981 36.841 1.00 48.49 1SG 754 ATOM 754 N PHE 96 -10.236 0.115 34.961 1.00101.86 1SG 755 ATOM 755 CA PHE 96 -9.666 1.362 35.386 1.00101.86 1SG 756 ATOM 756 CB PHE 96 -8.472 1.896 34.574 1.00101.86 1SG 757 ATOM 757 CG PHE 96 -7.229 1.098 34.749 1.00101.86 1SG 758 ATOM 758 CD1 PHE 96 -6.675 0.901 35.992 1.00101.86 1SG 759 ATOM 759 CD2 PHE 96 -6.570 0.609 33.644 1.00101.86 1SG 760 ATOM 760 CE1 PHE 96 -5.512 0.179 36.135 1.00101.86 1SG 761 ATOM 761 CE2 PHE 96 -5.406 -0.109 33.775 1.00101.86 1SG 762 ATOM 762 CZ PHE 96 -4.878 -0.329 35.025 1.00101.86 1SG 763 ATOM 763 C PHE 96 -10.698 2.424 35.190 1.00101.86 1SG 764 ATOM 764 O PHE 96 -11.786 2.176 34.673 1.00101.86 1SG 765 ATOM 765 N ARG 97 -10.360 3.649 35.636 1.00107.80 1SG 766 ATOM 766 CA ARG 97 -11.212 4.794 35.508 1.00107.80 1SG 767 ATOM 767 CB ARG 97 -11.262 5.565 36.842 1.00107.80 1SG 768 ATOM 768 CG ARG 97 -12.201 6.769 36.939 1.00107.80 1SG 769 ATOM 769 CD ARG 97 -12.122 7.413 38.330 1.00107.80 1SG 770 ATOM 770 NE ARG 97 -13.045 8.582 38.382 1.00107.80 1SG 771 ATOM 771 CZ ARG 97 -13.313 9.177 39.583 1.00107.80 1SG 772 ATOM 772 NH1 ARG 97 -12.750 8.689 40.726 1.00107.80 1SG 773 ATOM 773 NH2 ARG 97 -14.176 10.233 39.649 1.00107.80 1SG 774 ATOM 774 C ARG 97 -10.562 5.667 34.477 1.00107.80 1SG 775 ATOM 775 O ARG 97 -9.561 6.319 34.770 1.00107.80 1SG 776 ATOM 776 N TYR 98 -11.097 5.701 33.234 1.00 63.31 1SG 777 ATOM 777 CA TYR 98 -10.451 6.512 32.236 1.00 63.31 1SG 778 ATOM 778 CB TYR 98 -9.703 5.740 31.135 1.00 63.31 1SG 779 ATOM 779 CG TYR 98 -8.519 5.032 31.690 1.00 63.31 1SG 780 ATOM 780 CD1 TYR 98 -7.475 5.736 32.241 1.00 63.31 1SG 781 ATOM 781 CD2 TYR 98 -8.433 3.662 31.606 1.00 63.31 1SG 782 ATOM 782 CE1 TYR 98 -6.376 5.075 32.736 1.00 63.31 1SG 783 ATOM 783 CE2 TYR 98 -7.337 2.998 32.097 1.00 63.31 1SG 784 ATOM 784 CZ TYR 98 -6.306 3.703 32.669 1.00 63.31 1SG 785 ATOM 785 OH TYR 98 -5.177 3.025 33.176 1.00 63.31 1SG 786 ATOM 786 C TYR 98 -11.444 7.334 31.478 1.00 63.31 1SG 787 ATOM 787 O TYR 98 -12.564 6.906 31.203 1.00 63.31 1SG 788 ATOM 788 N GLU 99 -11.025 8.575 31.155 1.00 42.70 1SG 789 ATOM 789 CA GLU 99 -11.724 9.497 30.306 1.00 42.70 1SG 790 ATOM 790 CB GLU 99 -11.176 10.928 30.378 1.00 42.70 1SG 791 ATOM 791 CG GLU 99 -11.444 11.603 31.722 1.00 42.70 1SG 792 ATOM 792 CD GLU 99 -10.850 13.001 31.656 1.00 42.70 1SG 793 ATOM 793 OE1 GLU 99 -10.207 13.323 30.622 1.00 42.70 1SG 794 ATOM 794 OE2 GLU 99 -11.014 13.760 32.648 1.00 42.70 1SG 795 ATOM 795 C GLU 99 -11.556 9.019 28.898 1.00 42.70 1SG 796 ATOM 796 O GLU 99 -12.394 9.285 28.038 1.00 42.70 1SG 797 ATOM 797 N LYS 100 -10.431 8.308 28.658 1.00145.56 1SG 798 ATOM 798 CA LYS 100 -9.988 7.758 27.403 1.00145.56 1SG 799 ATOM 799 CB LYS 100 -8.922 6.667 27.623 1.00145.56 1SG 800 ATOM 800 CG LYS 100 -8.319 6.065 26.359 1.00145.56 1SG 801 ATOM 801 CD LYS 100 -7.188 5.085 26.671 1.00145.56 1SG 802 ATOM 802 CE LYS 100 -5.794 5.685 26.539 1.00145.56 1SG 803 ATOM 803 NZ LYS 100 -5.001 4.857 25.608 1.00145.56 1SG 804 ATOM 804 C LYS 100 -11.162 7.142 26.709 1.00145.56 1SG 805 ATOM 805 O LYS 100 -12.187 6.865 27.336 1.00145.56 1SG 806 ATOM 806 N PRO 101 -11.040 6.912 25.420 1.00237.31 1SG 807 ATOM 807 CA PRO 101 -12.150 6.396 24.673 1.00237.31 1SG 808 ATOM 808 CD PRO 101 -10.153 7.692 24.568 1.00237.31 1SG 809 ATOM 809 CB PRO 101 -11.660 6.292 23.234 1.00237.31 1SG 810 ATOM 810 CG PRO 101 -10.690 7.486 23.132 1.00237.31 1SG 811 ATOM 811 C PRO 101 -12.743 5.169 25.276 1.00237.31 1SG 812 ATOM 812 O PRO 101 -13.964 5.036 25.225 1.00237.31 1SG 813 ATOM 813 N LEU 102 -11.943 4.240 25.827 1.00177.14 1SG 814 ATOM 814 CA LEU 102 -12.595 3.218 26.587 1.00177.14 1SG 815 ATOM 815 CB LEU 102 -13.648 2.356 25.871 1.00177.14 1SG 816 ATOM 816 CG LEU 102 -13.094 1.217 25.006 1.00177.14 1SG 817 ATOM 817 CD2 LEU 102 -12.109 1.740 23.956 1.00177.14 1SG 818 ATOM 818 CD1 LEU 102 -14.240 0.400 24.391 1.00177.14 1SG 819 ATOM 819 C LEU 102 -11.590 2.293 27.158 1.00177.14 1SG 820 ATOM 820 O LEU 102 -10.382 2.512 27.078 1.00177.14 1SG 821 ATOM 821 N HIS 103 -12.113 1.227 27.782 1.00 68.17 1SG 822 ATOM 822 CA HIS 103 -11.287 0.249 28.396 1.00 68.17 1SG 823 ATOM 823 ND1 HIS 103 -10.911 -0.810 32.036 1.00 68.17 1SG 824 ATOM 824 CG HIS 103 -10.775 -0.714 30.671 1.00 68.17 1SG 825 ATOM 825 CB HIS 103 -11.818 -0.124 29.785 1.00 68.17 1SG 826 ATOM 826 NE2 HIS 103 -8.898 -1.607 31.534 1.00 68.17 1SG 827 ATOM 827 CD2 HIS 103 -9.543 -1.207 30.379 1.00 68.17 1SG 828 ATOM 828 CE1 HIS 103 -9.758 -1.348 32.500 1.00 68.17 1SG 829 ATOM 829 C HIS 103 -11.379 -0.963 27.530 1.00 68.17 1SG 830 ATOM 830 O HIS 103 -12.470 -1.469 27.268 1.00 68.17 1SG 831 ATOM 831 N VAL 104 -10.228 -1.455 27.038 1.00 25.87 1SG 832 ATOM 832 CA VAL 104 -10.260 -2.616 26.202 1.00 25.87 1SG 833 ATOM 833 CB VAL 104 -9.481 -2.461 24.928 1.00 25.87 1SG 834 ATOM 834 CG1 VAL 104 -9.518 -3.791 24.154 1.00 25.87 1SG 835 ATOM 835 CG2 VAL 104 -10.061 -1.269 24.148 1.00 25.87 1SG 836 ATOM 836 C VAL 104 -9.625 -3.712 26.982 1.00 25.87 1SG 837 ATOM 837 O VAL 104 -8.633 -3.502 27.678 1.00 25.87 1SG 838 ATOM 838 N PRO 105 -10.182 -4.885 26.900 1.00 62.37 1SG 839 ATOM 839 CA PRO 105 -9.635 -5.997 27.612 1.00 62.37 1SG 840 ATOM 840 CD PRO 105 -11.566 -5.094 26.525 1.00 62.37 1SG 841 ATOM 841 CB PRO 105 -10.665 -7.121 27.513 1.00 62.37 1SG 842 ATOM 842 CG PRO 105 -11.675 -6.626 26.458 1.00 62.37 1SG 843 ATOM 843 C PRO 105 -8.332 -6.297 26.975 1.00 62.37 1SG 844 ATOM 844 O PRO 105 -8.223 -6.139 25.760 1.00 62.37 1SG 845 ATOM 845 N ARG 106 -7.308 -6.641 27.775 1.00115.27 1SG 846 ATOM 846 CA ARG 106 -6.052 -6.934 27.161 1.00115.27 1SG 847 ATOM 847 CB ARG 106 -4.836 -6.905 28.107 1.00115.27 1SG 848 ATOM 848 CG ARG 106 -3.515 -7.026 27.337 1.00115.27 1SG 849 ATOM 849 CD ARG 106 -2.269 -6.689 28.158 1.00115.27 1SG 850 ATOM 850 NE ARG 106 -1.091 -6.867 27.264 1.00115.27 1SG 851 ATOM 851 CZ ARG 106 0.085 -6.234 27.540 1.00115.27 1SG 852 ATOM 852 NH1 ARG 106 0.184 -5.404 28.620 1.00115.27 1SG 853 ATOM 853 NH2 ARG 106 1.164 -6.437 26.730 1.00115.27 1SG 854 ATOM 854 C ARG 106 -6.119 -8.269 26.502 1.00115.27 1SG 855 ATOM 855 O ARG 106 -5.615 -8.448 25.396 1.00115.27 1SG 856 ATOM 856 N ARG 107 -6.781 -9.247 27.147 1.00147.04 1SG 857 ATOM 857 CA ARG 107 -6.729 -10.568 26.597 1.00147.04 1SG 858 ATOM 858 CB ARG 107 -6.797 -11.615 27.717 1.00147.04 1SG 859 ATOM 859 CG ARG 107 -5.672 -11.454 28.742 1.00147.04 1SG 860 ATOM 860 CD ARG 107 -5.807 -12.370 29.961 1.00147.04 1SG 861 ATOM 861 NE ARG 107 -4.646 -12.091 30.854 1.00147.04 1SG 862 ATOM 862 CZ ARG 107 -4.602 -12.612 32.115 1.00147.04 1SG 863 ATOM 863 NH1 ARG 107 -5.628 -13.388 32.572 1.00147.04 1SG 864 ATOM 864 NH2 ARG 107 -3.539 -12.341 32.929 1.00147.04 1SG 865 ATOM 865 C ARG 107 -7.858 -10.873 25.640 1.00147.04 1SG 866 ATOM 866 O ARG 107 -8.427 -11.957 25.758 1.00147.04 1SG 867 ATOM 867 N PRO 108 -8.237 -10.046 24.692 1.00 78.86 1SG 868 ATOM 868 CA PRO 108 -9.165 -10.645 23.770 1.00 78.86 1SG 869 ATOM 869 CD PRO 108 -8.853 -8.824 25.201 1.00 78.86 1SG 870 ATOM 870 CB PRO 108 -10.555 -10.144 24.132 1.00 78.86 1SG 871 ATOM 871 CG PRO 108 -10.257 -8.714 24.582 1.00 78.86 1SG 872 ATOM 872 C PRO 108 -8.760 -10.125 22.430 1.00 78.86 1SG 873 ATOM 873 O PRO 108 -8.254 -8.972 22.382 1.00 78.86 1SG 874 ATOM 874 OXT PRO 108 -8.959 -10.848 21.417 1.00 78.86 1SG 875 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.703 REMARK SCORE 0.703 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 6 PARENT 3DFR ATOM 1 N ARG 3 -5.988 32.551 33.331 1.00110.92 1SG 2 ATOM 2 CA ARG 3 -5.171 33.717 33.734 1.00110.92 1SG 3 ATOM 3 CB ARG 3 -6.094 34.898 34.106 1.00110.92 1SG 4 ATOM 4 CG ARG 3 -5.415 36.014 34.900 1.00110.92 1SG 5 ATOM 5 CD ARG 3 -6.394 37.110 35.325 1.00110.92 1SG 6 ATOM 6 NE ARG 3 -5.767 37.862 36.447 1.00110.92 1SG 7 ATOM 7 CZ ARG 3 -6.557 38.453 37.390 1.00110.92 1SG 8 ATOM 8 NH1 ARG 3 -7.916 38.432 37.257 1.00110.92 1SG 9 ATOM 9 NH2 ARG 3 -5.988 39.069 38.468 1.00110.92 1SG 10 ATOM 10 C ARG 3 -4.199 33.392 34.828 1.00110.92 1SG 11 ATOM 11 O ARG 3 -3.058 33.053 34.515 1.00110.92 1SG 12 ATOM 12 N PRO 4 -4.575 33.483 36.088 1.00 89.07 1SG 13 ATOM 13 CA PRO 4 -3.626 33.251 37.147 1.00 89.07 1SG 14 ATOM 14 CD PRO 4 -5.920 33.107 36.514 1.00 89.07 1SG 15 ATOM 15 CB PRO 4 -4.443 33.279 38.434 1.00 89.07 1SG 16 ATOM 16 CG PRO 4 -5.781 32.662 37.980 1.00 89.07 1SG 17 ATOM 17 C PRO 4 -3.002 31.904 36.986 1.00 89.07 1SG 18 ATOM 18 O PRO 4 -3.682 30.916 37.252 1.00 89.07 1SG 19 ATOM 19 N LYS 5 -1.709 31.849 36.608 1.00 84.41 1SG 20 ATOM 20 CA LYS 5 -1.001 30.614 36.421 1.00 84.41 1SG 21 ATOM 21 CB LYS 5 -1.565 29.684 35.324 1.00 84.41 1SG 22 ATOM 22 CG LYS 5 -2.793 28.858 35.707 1.00 84.41 1SG 23 ATOM 23 CD LYS 5 -3.519 28.243 34.508 1.00 84.41 1SG 24 ATOM 24 CE LYS 5 -4.819 27.524 34.885 1.00 84.41 1SG 25 ATOM 25 NZ LYS 5 -5.894 28.513 35.118 1.00 84.41 1SG 26 ATOM 26 C LYS 5 0.361 30.979 35.930 1.00 84.41 1SG 27 ATOM 27 O LYS 5 0.640 32.146 35.659 1.00 84.41 1SG 28 ATOM 28 N LEU 6 1.253 29.978 35.825 1.00158.92 1SG 29 ATOM 29 CA LEU 6 2.522 30.256 35.230 1.00158.92 1SG 30 ATOM 30 CB LEU 6 3.596 29.157 35.412 1.00158.92 1SG 31 ATOM 31 CG LEU 6 4.925 29.421 34.671 1.00158.92 1SG 32 ATOM 32 CD2 LEU 6 5.773 28.138 34.599 1.00158.92 1SG 33 ATOM 33 CD1 LEU 6 5.692 30.620 35.259 1.00158.92 1SG 34 ATOM 34 C LEU 6 2.217 30.351 33.778 1.00158.92 1SG 35 ATOM 35 O LEU 6 1.114 30.033 33.343 1.00158.92 1SG 36 ATOM 36 N GLY 7 3.162 30.862 32.992 1.00100.25 1SG 37 ATOM 37 CA GLY 7 2.952 30.820 31.575 1.00100.25 1SG 38 ATOM 38 C GLY 7 4.312 30.657 31.000 1.00100.25 1SG 39 ATOM 39 O GLY 7 5.120 31.585 31.008 1.00100.25 1SG 40 ATOM 40 N LEU 8 4.609 29.454 30.479 1.00136.95 1SG 41 ATOM 41 CA LEU 8 5.905 29.243 29.916 1.00136.95 1SG 42 ATOM 42 CB LEU 8 6.727 28.141 30.606 1.00136.95 1SG 43 ATOM 43 CG LEU 8 7.939 27.648 29.796 1.00136.95 1SG 44 ATOM 44 CD2 LEU 8 8.838 26.768 30.685 1.00136.95 1SG 45 ATOM 45 CD1 LEU 8 8.731 28.741 29.081 1.00136.95 1SG 46 ATOM 46 C LEU 8 5.798 29.023 28.453 1.00136.95 1SG 47 ATOM 47 O LEU 8 5.086 28.137 27.981 1.00136.95 1SG 48 ATOM 48 N ILE 9 6.532 29.869 27.707 1.00 91.41 1SG 49 ATOM 49 CA ILE 9 6.485 29.865 26.282 1.00 91.41 1SG 50 ATOM 50 CB ILE 9 5.935 31.143 25.716 1.00 91.41 1SG 51 ATOM 51 CG2 ILE 9 6.965 32.251 25.995 1.00 91.41 1SG 52 ATOM 52 CG1 ILE 9 5.568 30.998 24.231 1.00 91.41 1SG 53 ATOM 53 CD1 ILE 9 4.696 32.146 23.724 1.00 91.41 1SG 54 ATOM 54 C ILE 9 7.881 29.738 25.791 1.00 91.41 1SG 55 ATOM 55 O ILE 9 8.838 29.996 26.522 1.00 91.41 1SG 56 ATOM 56 N VAL 10 8.019 29.284 24.533 1.00 41.28 1SG 57 ATOM 57 CA VAL 10 9.300 29.168 23.919 1.00 41.28 1SG 58 ATOM 58 CB VAL 10 9.256 28.497 22.578 1.00 41.28 1SG 59 ATOM 59 CG1 VAL 10 10.665 28.525 21.959 1.00 41.28 1SG 60 ATOM 60 CG2 VAL 10 8.688 27.080 22.763 1.00 41.28 1SG 61 ATOM 61 C VAL 10 9.780 30.570 23.738 1.00 41.28 1SG 62 ATOM 62 O VAL 10 8.988 31.511 23.710 1.00 41.28 1SG 63 ATOM 63 N ARG 11 11.110 30.752 23.641 1.00 82.40 1SG 64 ATOM 64 CA ARG 11 11.656 32.074 23.550 1.00 82.40 1SG 65 ATOM 65 CB ARG 11 13.194 32.091 23.468 1.00 82.40 1SG 66 ATOM 66 CG ARG 11 13.785 33.502 23.382 1.00 82.40 1SG 67 ATOM 67 CD ARG 11 13.770 34.082 21.965 1.00 82.40 1SG 68 ATOM 68 NE ARG 11 14.661 33.237 21.123 1.00 82.40 1SG 69 ATOM 69 CZ ARG 11 14.696 33.423 19.771 1.00 82.40 1SG 70 ATOM 70 NH1 ARG 11 13.907 34.376 19.197 1.00 82.40 1SG 71 ATOM 71 NH2 ARG 11 15.521 32.657 18.997 1.00 82.40 1SG 72 ATOM 72 C ARG 11 11.139 32.734 22.315 1.00 82.40 1SG 73 ATOM 73 O ARG 11 10.798 33.916 22.331 1.00 82.40 1SG 74 ATOM 74 N GLU 12 11.057 31.987 21.199 1.00 38.26 1SG 75 ATOM 75 CA GLU 12 10.634 32.592 19.976 1.00 38.26 1SG 76 ATOM 76 CB GLU 12 10.708 31.624 18.776 1.00 38.26 1SG 77 ATOM 77 CG GLU 12 10.482 32.284 17.416 1.00 38.26 1SG 78 ATOM 78 CD GLU 12 10.760 31.239 16.342 1.00 38.26 1SG 79 ATOM 79 OE1 GLU 12 11.083 30.078 16.709 1.00 38.26 1SG 80 ATOM 80 OE2 GLU 12 10.656 31.592 15.136 1.00 38.26 1SG 81 ATOM 81 C GLU 12 9.230 33.086 20.133 1.00 38.26 1SG 82 ATOM 82 O GLU 12 8.922 34.206 19.728 1.00 38.26 1SG 83 ATOM 83 N PRO 13 8.357 32.305 20.705 1.00 71.44 1SG 84 ATOM 84 CA PRO 13 7.005 32.757 20.889 1.00 71.44 1SG 85 ATOM 85 CD PRO 13 8.439 30.857 20.627 1.00 71.44 1SG 86 ATOM 86 CB PRO 13 6.165 31.502 21.151 1.00 71.44 1SG 87 ATOM 87 CG PRO 13 7.194 30.377 21.384 1.00 71.44 1SG 88 ATOM 88 C PRO 13 6.886 33.829 21.930 1.00 71.44 1SG 89 ATOM 89 O PRO 13 5.921 34.590 21.890 1.00 71.44 1SG 90 ATOM 90 N TYR 14 7.841 33.907 22.875 1.00 41.91 1SG 91 ATOM 91 CA TYR 14 7.783 34.879 23.932 1.00 41.91 1SG 92 ATOM 92 CB TYR 14 8.939 34.710 24.933 1.00 41.91 1SG 93 ATOM 93 CG TYR 14 8.803 35.744 25.997 1.00 41.91 1SG 94 ATOM 94 CD1 TYR 14 7.963 35.532 27.066 1.00 41.91 1SG 95 ATOM 95 CD2 TYR 14 9.518 36.918 25.932 1.00 41.91 1SG 96 ATOM 96 CE1 TYR 14 7.829 36.479 28.052 1.00 41.91 1SG 97 ATOM 97 CE2 TYR 14 9.389 37.870 26.916 1.00 41.91 1SG 98 ATOM 98 CZ TYR 14 8.550 37.647 27.981 1.00 41.91 1SG 99 ATOM 99 OH TYR 14 8.418 38.621 28.991 1.00 41.91 1SG 100 ATOM 100 C TYR 14 7.901 36.239 23.318 1.00 41.91 1SG 101 ATOM 101 O TYR 14 7.158 37.159 23.659 1.00 41.91 1SG 102 ATOM 102 N ALA 15 8.839 36.387 22.365 1.00 25.93 1SG 103 ATOM 103 CA ALA 15 9.110 37.651 21.743 1.00 25.93 1SG 104 ATOM 104 CB ALA 15 10.267 37.579 20.731 1.00 25.93 1SG 105 ATOM 105 C ALA 15 7.899 38.124 21.001 1.00 25.93 1SG 106 ATOM 106 O ALA 15 7.576 39.311 21.018 1.00 25.93 1SG 107 ATOM 107 N SER 16 7.189 37.196 20.335 1.00 27.86 1SG 108 ATOM 108 CA SER 16 6.073 37.549 19.505 1.00 27.86 1SG 109 ATOM 109 CB SER 16 5.480 36.348 18.748 1.00 27.86 1SG 110 ATOM 110 OG SER 16 4.909 35.424 19.663 1.00 27.86 1SG 111 ATOM 111 C SER 16 4.978 38.149 20.329 1.00 27.86 1SG 112 ATOM 112 O SER 16 4.170 38.917 19.808 1.00 27.86 1SG 113 ATOM 113 N LEU 17 4.923 37.834 21.635 1.00 34.09 1SG 114 ATOM 114 CA LEU 17 3.848 38.336 22.442 1.00 34.09 1SG 115 ATOM 115 CB LEU 17 3.966 37.932 23.922 1.00 34.09 1SG 116 ATOM 116 CG LEU 17 3.938 36.411 24.150 1.00 34.09 1SG 117 ATOM 117 CD2 LEU 17 2.714 35.766 23.484 1.00 34.09 1SG 118 ATOM 118 CD1 LEU 17 4.056 36.066 25.643 1.00 34.09 1SG 119 ATOM 119 C LEU 17 3.875 39.828 22.377 1.00 34.09 1SG 120 ATOM 120 O LEU 17 4.921 40.451 22.551 1.00 34.09 1SG 121 ATOM 121 N ILE 18 2.706 40.435 22.100 1.00121.19 1SG 122 ATOM 122 CA ILE 18 2.628 41.859 21.998 1.00121.19 1SG 123 ATOM 123 CB ILE 18 1.277 42.332 21.504 1.00121.19 1SG 124 ATOM 124 CG2 ILE 18 0.195 41.937 22.524 1.00121.19 1SG 125 ATOM 125 CG1 ILE 18 1.289 43.828 21.136 1.00121.19 1SG 126 ATOM 126 CD1 ILE 18 1.486 44.783 22.316 1.00121.19 1SG 127 ATOM 127 C ILE 18 2.919 42.432 23.348 1.00121.19 1SG 128 ATOM 128 O ILE 18 3.718 43.357 23.474 1.00121.19 1SG 129 ATOM 129 N VAL 19 2.302 41.877 24.407 1.00 24.13 1SG 130 ATOM 130 CA VAL 19 2.543 42.383 25.719 1.00 24.13 1SG 131 ATOM 131 CB VAL 19 1.436 43.217 26.266 1.00 24.13 1SG 132 ATOM 132 CG1 VAL 19 1.774 43.609 27.711 1.00 24.13 1SG 133 ATOM 133 CG2 VAL 19 1.212 44.427 25.329 1.00 24.13 1SG 134 ATOM 134 C VAL 19 2.689 41.209 26.615 1.00 24.13 1SG 135 ATOM 135 O VAL 19 2.084 40.161 26.395 1.00 24.13 1SG 136 ATOM 136 N ASP 20 3.527 41.347 27.661 1.00 54.80 1SG 137 ATOM 137 CA ASP 20 3.701 40.271 28.605 1.00 54.80 1SG 138 ATOM 138 CB ASP 20 5.163 39.893 28.822 1.00 54.80 1SG 139 ATOM 139 CG ASP 20 5.710 39.294 27.533 1.00 54.80 1SG 140 ATOM 140 OD1 ASP 20 4.989 38.473 26.905 1.00 54.80 1SG 141 ATOM 141 OD2 ASP 20 6.860 39.652 27.159 1.00 54.80 1SG 142 ATOM 142 C ASP 20 3.189 40.799 29.907 1.00 54.80 1SG 143 ATOM 143 O ASP 20 3.837 41.643 30.522 1.00 54.80 1SG 144 ATOM 144 N GLY 21 2.016 40.328 30.372 1.00124.79 1SG 145 ATOM 145 CA GLY 21 1.601 40.858 31.635 1.00124.79 1SG 146 ATOM 146 C GLY 21 0.559 39.993 32.275 1.00124.79 1SG 147 ATOM 147 O GLY 21 0.012 39.066 31.677 1.00124.79 1SG 148 ATOM 148 N ARG 22 0.306 40.309 33.560 1.00194.07 1SG 149 ATOM 149 CA ARG 22 -0.686 39.738 34.432 1.00194.07 1SG 150 ATOM 150 CB ARG 22 -2.128 40.080 34.013 1.00194.07 1SG 151 ATOM 151 CG ARG 22 -3.123 39.935 35.168 1.00194.07 1SG 152 ATOM 152 CD ARG 22 -4.507 40.519 34.867 1.00194.07 1SG 153 ATOM 153 NE ARG 22 -5.210 40.661 36.172 1.00194.07 1SG 154 ATOM 154 CZ ARG 22 -6.363 41.390 36.264 1.00194.07 1SG 155 ATOM 155 NH1 ARG 22 -6.864 42.023 35.166 1.00194.07 1SG 156 ATOM 156 NH2 ARG 22 -7.019 41.478 37.457 1.00194.07 1SG 157 ATOM 157 C ARG 22 -0.544 38.257 34.545 1.00194.07 1SG 158 ATOM 158 O ARG 22 -1.530 37.557 34.767 1.00194.07 1SG 159 ATOM 159 N LYS 23 0.684 37.725 34.410 1.00105.52 1SG 160 ATOM 160 CA LYS 23 0.831 36.311 34.607 1.00105.52 1SG 161 ATOM 161 CB LYS 23 0.197 35.461 33.491 1.00105.52 1SG 162 ATOM 162 CG LYS 23 0.704 35.779 32.085 1.00105.52 1SG 163 ATOM 163 CD LYS 23 0.206 34.793 31.024 1.00105.52 1SG 164 ATOM 164 CE LYS 23 0.546 35.205 29.590 1.00105.52 1SG 165 ATOM 165 NZ LYS 23 0.013 34.208 28.633 1.00105.52 1SG 166 ATOM 166 C LYS 23 2.290 35.998 34.699 1.00105.52 1SG 167 ATOM 167 O LYS 23 3.115 36.624 34.049 1.00105.52 1SG 168 ATOM 168 N VAL 24 2.636 34.998 35.535 1.00118.28 1SG 169 ATOM 169 CA VAL 24 4.000 34.591 35.731 1.00118.28 1SG 170 ATOM 170 CB VAL 24 4.154 33.697 36.929 1.00118.28 1SG 171 ATOM 171 CG1 VAL 24 3.045 32.641 36.879 1.00118.28 1SG 172 ATOM 172 CG2 VAL 24 5.567 33.093 36.930 1.00118.28 1SG 173 ATOM 173 C VAL 24 4.469 33.908 34.488 1.00118.28 1SG 174 ATOM 174 O VAL 24 3.669 33.326 33.756 1.00118.28 1SG 175 ATOM 175 N TRP 25 5.788 33.992 34.190 1.00127.51 1SG 176 ATOM 176 CA TRP 25 6.248 33.434 32.948 1.00127.51 1SG 177 ATOM 177 CB TRP 25 6.575 34.505 31.892 1.00127.51 1SG 178 ATOM 178 CG TRP 25 5.359 35.293 31.462 1.00127.51 1SG 179 ATOM 179 CD2 TRP 25 4.970 36.563 32.011 1.00127.51 1SG 180 ATOM 180 CD1 TRP 25 4.426 34.979 30.519 1.00127.51 1SG 181 ATOM 181 NE1 TRP 25 3.469 35.966 30.461 1.00127.51 1SG 182 ATOM 182 CE2 TRP 25 3.793 36.946 31.370 1.00127.51 1SG 183 ATOM 183 CE3 TRP 25 5.543 37.345 32.975 1.00127.51 1SG 184 ATOM 184 CZ2 TRP 25 3.166 38.115 31.686 1.00127.51 1SG 185 ATOM 185 CZ3 TRP 25 4.912 38.532 33.284 1.00127.51 1SG 186 ATOM 186 CH2 TRP 25 3.747 38.911 32.649 1.00127.51 1SG 187 ATOM 187 C TRP 25 7.467 32.581 33.139 1.00127.51 1SG 188 ATOM 188 O TRP 25 8.128 32.578 34.174 1.00127.51 1SG 189 ATOM 189 N GLU 26 7.778 31.773 32.114 1.00138.85 1SG 190 ATOM 190 CA GLU 26 8.944 30.958 32.195 1.00138.85 1SG 191 ATOM 191 CB GLU 26 8.577 29.536 32.511 1.00138.85 1SG 192 ATOM 192 CG GLU 26 9.705 28.742 33.118 1.00138.85 1SG 193 ATOM 193 CD GLU 26 8.827 27.845 33.918 1.00138.85 1SG 194 ATOM 194 OE1 GLU 26 7.990 27.176 33.254 1.00138.85 1SG 195 ATOM 195 OE2 GLU 26 8.898 27.901 35.176 1.00138.85 1SG 196 ATOM 196 C GLU 26 9.488 30.974 30.825 1.00138.85 1SG 197 ATOM 197 O GLU 26 8.786 31.371 29.893 1.00138.85 1SG 198 ATOM 198 N ILE 27 10.755 30.580 30.627 1.00139.29 1SG 199 ATOM 199 CA ILE 27 11.084 30.699 29.248 1.00139.29 1SG 200 ATOM 200 CB ILE 27 11.571 32.082 28.877 1.00139.29 1SG 201 ATOM 201 CG2 ILE 27 12.956 32.301 29.505 1.00139.29 1SG 202 ATOM 202 CG1 ILE 27 11.512 32.302 27.354 1.00139.29 1SG 203 ATOM 203 CD1 ILE 27 11.552 33.779 26.957 1.00139.29 1SG 204 ATOM 204 C ILE 27 12.065 29.653 28.848 1.00139.29 1SG 205 ATOM 205 O ILE 27 12.915 29.220 29.625 1.00139.29 1SG 206 ATOM 206 N ARG 28 11.928 29.194 27.595 1.00154.78 1SG 207 ATOM 207 CA ARG 28 12.837 28.228 27.069 1.00154.78 1SG 208 ATOM 208 CB ARG 28 12.116 27.148 26.247 1.00154.78 1SG 209 ATOM 209 CG ARG 28 11.256 26.274 27.154 1.00154.78 1SG 210 ATOM 210 CD ARG 28 12.131 25.501 28.136 1.00154.78 1SG 211 ATOM 211 NE ARG 28 11.281 25.001 29.243 1.00154.78 1SG 212 ATOM 212 CZ ARG 28 10.473 23.926 28.988 1.00154.78 1SG 213 ATOM 213 NH1 ARG 28 10.306 23.509 27.708 1.00154.78 1SG 214 ATOM 214 NH2 ARG 28 9.799 23.332 30.008 1.00154.78 1SG 215 ATOM 215 C ARG 28 13.722 28.959 26.106 1.00154.78 1SG 216 ATOM 216 O ARG 28 13.264 29.340 25.032 1.00154.78 1SG 217 ATOM 217 N ARG 29 15.000 29.209 26.475 1.00150.96 1SG 218 ATOM 218 CA ARG 29 15.933 29.806 25.551 1.00150.96 1SG 219 ATOM 219 CB ARG 29 16.058 31.355 25.614 1.00150.96 1SG 220 ATOM 220 CG ARG 29 16.998 31.970 24.546 1.00150.96 1SG 221 ATOM 221 CD ARG 29 17.079 33.517 24.525 1.00150.96 1SG 222 ATOM 222 NE ARG 29 18.033 33.970 23.451 1.00150.96 1SG 223 ATOM 223 CZ ARG 29 18.592 35.227 23.443 1.00150.96 1SG 224 ATOM 224 NH1 ARG 29 18.379 36.116 24.454 1.00150.96 1SG 225 ATOM 225 NH2 ARG 29 19.398 35.639 22.422 1.00150.96 1SG 226 ATOM 226 C ARG 29 17.279 29.228 25.857 1.00150.96 1SG 227 ATOM 227 O ARG 29 17.684 29.153 27.016 1.00150.96 1SG 228 ATOM 228 N ARG 30 17.995 28.778 24.809 1.00 63.05 1SG 229 ATOM 229 CA ARG 30 19.289 28.180 24.972 1.00 63.05 1SG 230 ATOM 230 CB ARG 30 19.813 27.508 23.689 1.00 63.05 1SG 231 ATOM 231 CG ARG 30 19.037 26.225 23.375 1.00 63.05 1SG 232 ATOM 232 CD ARG 30 19.636 25.330 22.287 1.00 63.05 1SG 233 ATOM 233 NE ARG 30 18.726 24.153 22.168 1.00 63.05 1SG 234 ATOM 234 CZ ARG 30 18.910 23.218 21.191 1.00 63.05 1SG 235 ATOM 235 NH1 ARG 30 19.943 23.342 20.307 1.00 63.05 1SG 236 ATOM 236 NH2 ARG 30 18.057 22.156 21.099 1.00 63.05 1SG 237 ATOM 237 C ARG 30 20.278 29.200 25.436 1.00 63.05 1SG 238 ATOM 238 O ARG 30 21.107 28.913 26.297 1.00 63.05 1SG 239 ATOM 239 N LYS 31 20.212 30.429 24.893 1.00 70.79 1SG 240 ATOM 240 CA LYS 31 21.183 31.412 25.271 1.00 70.79 1SG 241 ATOM 241 CB LYS 31 21.113 32.673 24.387 1.00 70.79 1SG 242 ATOM 242 CG LYS 31 21.591 32.399 22.956 1.00 70.79 1SG 243 ATOM 243 CD LYS 31 21.092 33.389 21.900 1.00 70.79 1SG 244 ATOM 244 CE LYS 31 19.750 32.975 21.283 1.00 70.79 1SG 245 ATOM 245 NZ LYS 31 19.347 33.908 20.203 1.00 70.79 1SG 246 ATOM 246 C LYS 31 20.957 31.790 26.701 1.00 70.79 1SG 247 ATOM 247 O LYS 31 19.860 32.184 27.092 1.00 70.79 1SG 248 ATOM 248 N THR 32 22.018 31.650 27.520 1.00 99.34 1SG 249 ATOM 249 CA THR 32 21.992 31.970 28.919 1.00 99.34 1SG 250 ATOM 250 CB THR 32 23.240 31.548 29.641 1.00 99.34 1SG 251 ATOM 251 OG1 THR 32 23.067 31.695 31.042 1.00 99.34 1SG 252 ATOM 252 CG2 THR 32 24.414 32.417 29.155 1.00 99.34 1SG 253 ATOM 253 C THR 32 21.877 33.455 29.048 1.00 99.34 1SG 254 ATOM 254 O THR 32 21.274 33.970 29.988 1.00 99.34 1SG 255 ATOM 255 N ARG 33 22.453 34.170 28.067 1.00 69.57 1SG 256 ATOM 256 CA ARG 33 22.551 35.599 28.054 1.00 69.57 1SG 257 ATOM 257 CB ARG 33 23.232 36.137 26.784 1.00 69.57 1SG 258 ATOM 258 CG ARG 33 24.693 35.709 26.626 1.00 69.57 1SG 259 ATOM 259 CD ARG 33 25.338 36.250 25.349 1.00 69.57 1SG 260 ATOM 260 NE ARG 33 26.746 35.767 25.306 1.00 69.57 1SG 261 ATOM 261 CZ ARG 33 27.392 35.673 24.106 1.00 69.57 1SG 262 ATOM 262 NH1 ARG 33 26.745 36.019 22.955 1.00 69.57 1SG 263 ATOM 263 NH2 ARG 33 28.683 35.235 24.057 1.00 69.57 1SG 264 ATOM 264 C ARG 33 21.184 36.200 28.099 1.00 69.57 1SG 265 ATOM 265 O ARG 33 21.011 37.270 28.681 1.00 69.57 1SG 266 ATOM 266 N HIS 34 20.190 35.525 27.485 1.00 85.78 1SG 267 ATOM 267 CA HIS 34 18.842 36.018 27.371 1.00 85.78 1SG 268 ATOM 268 ND1 HIS 34 15.891 35.961 25.663 1.00 85.78 1SG 269 ATOM 269 CG HIS 34 16.426 35.484 26.841 1.00 85.78 1SG 270 ATOM 270 CB HIS 34 17.817 34.939 26.992 1.00 85.78 1SG 271 ATOM 271 NE2 HIS 34 14.316 36.198 27.207 1.00 85.78 1SG 272 ATOM 272 CD2 HIS 34 15.446 35.638 27.773 1.00 85.78 1SG 273 ATOM 273 CE1 HIS 34 14.632 36.375 25.937 1.00 85.78 1SG 274 ATOM 274 C HIS 34 18.378 36.568 28.676 1.00 85.78 1SG 275 ATOM 275 O HIS 34 18.594 35.977 29.733 1.00 85.78 1SG 276 ATOM 276 N ARG 35 17.735 37.752 28.615 1.00 83.12 1SG 277 ATOM 277 CA ARG 35 17.246 38.392 29.796 1.00 83.12 1SG 278 ATOM 278 CB ARG 35 17.781 39.824 29.974 1.00 83.12 1SG 279 ATOM 279 CG ARG 35 19.303 39.919 30.107 1.00 83.12 1SG 280 ATOM 280 CD ARG 35 19.786 40.131 31.542 1.00 83.12 1SG 281 ATOM 281 NE ARG 35 21.275 40.197 31.504 1.00 83.12 1SG 282 ATOM 282 CZ ARG 35 21.964 40.692 32.573 1.00 83.12 1SG 283 ATOM 283 NH1 ARG 35 21.291 41.135 33.675 1.00 83.12 1SG 284 ATOM 284 NH2 ARG 35 23.328 40.738 32.542 1.00 83.12 1SG 285 ATOM 285 C ARG 35 15.767 38.533 29.638 1.00 83.12 1SG 286 ATOM 286 O ARG 35 15.280 38.907 28.573 1.00 83.12 1SG 287 ATOM 287 N GLY 36 15.013 38.222 30.707 1.00 52.71 1SG 288 ATOM 288 CA GLY 36 13.595 38.402 30.661 1.00 52.71 1SG 289 ATOM 289 C GLY 36 13.232 39.072 31.942 1.00 52.71 1SG 290 ATOM 290 O GLY 36 12.940 38.426 32.948 1.00 52.71 1SG 291 ATOM 291 N PRO 37 13.260 40.375 31.901 1.00176.53 1SG 292 ATOM 292 CA PRO 37 12.945 41.127 33.083 1.00176.53 1SG 293 ATOM 293 CD PRO 37 14.258 41.047 31.082 1.00176.53 1SG 294 ATOM 294 CB PRO 37 13.528 42.522 32.863 1.00176.53 1SG 295 ATOM 295 CG PRO 37 14.691 42.285 31.885 1.00176.53 1SG 296 ATOM 296 C PRO 37 11.475 41.145 33.316 1.00176.53 1SG 297 ATOM 297 O PRO 37 10.719 41.075 32.349 1.00176.53 1SG 298 ATOM 298 N LEU 38 11.039 41.218 34.587 1.00270.87 1SG 299 ATOM 299 CA LEU 38 9.632 41.323 34.810 1.00270.87 1SG 300 ATOM 300 CB LEU 38 8.940 39.962 34.994 1.00270.87 1SG 301 ATOM 301 CG LEU 38 7.423 40.063 35.223 1.00270.87 1SG 302 ATOM 302 CD2 LEU 38 6.826 38.676 35.510 1.00270.87 1SG 303 ATOM 303 CD1 LEU 38 6.723 40.762 34.047 1.00270.87 1SG 304 ATOM 304 C LEU 38 9.439 42.136 36.047 1.00270.87 1SG 305 ATOM 305 O LEU 38 10.067 41.883 37.074 1.00270.87 1SG 306 ATOM 306 N GLY 39 8.565 43.157 35.971 1.00131.94 1SG 307 ATOM 307 CA GLY 39 8.305 43.957 37.129 1.00131.94 1SG 308 ATOM 308 C GLY 39 6.899 43.651 37.512 1.00131.94 1SG 309 ATOM 309 O GLY 39 5.998 43.684 36.675 1.00131.94 1SG 310 ATOM 310 N ILE 40 6.671 43.336 38.800 1.00122.67 1SG 311 ATOM 311 CA ILE 40 5.341 42.978 39.179 1.00122.67 1SG 312 ATOM 312 CB ILE 40 4.811 41.831 38.364 1.00122.67 1SG 313 ATOM 313 CG2 ILE 40 5.796 40.658 38.494 1.00122.67 1SG 314 ATOM 314 CG1 ILE 40 3.361 41.494 38.747 1.00122.67 1SG 315 ATOM 315 CD1 ILE 40 2.682 40.551 37.753 1.00122.67 1SG 316 ATOM 316 C ILE 40 5.375 42.558 40.610 1.00122.67 1SG 317 ATOM 317 O ILE 40 6.335 41.921 41.042 1.00122.67 1SG 318 ATOM 318 N VAL 41 4.356 42.958 41.400 1.00 70.37 1SG 319 ATOM 319 CA VAL 41 4.314 42.480 42.752 1.00 70.37 1SG 320 ATOM 320 CB VAL 41 3.362 43.255 43.619 1.00 70.37 1SG 321 ATOM 321 CG1 VAL 41 3.377 42.660 45.037 1.00 70.37 1SG 322 ATOM 322 CG2 VAL 41 3.747 44.743 43.559 1.00 70.37 1SG 323 ATOM 323 C VAL 41 3.780 41.095 42.612 1.00 70.37 1SG 324 ATOM 324 O VAL 41 2.646 40.794 42.981 1.00 70.37 1SG 325 ATOM 325 N SER 42 4.647 40.219 42.077 1.00183.94 1SG 326 ATOM 326 CA SER 42 4.367 38.864 41.718 1.00183.94 1SG 327 ATOM 327 CB SER 42 3.353 38.745 40.568 1.00183.94 1SG 328 ATOM 328 OG SER 42 2.100 39.296 40.949 1.00183.94 1SG 329 ATOM 329 C SER 42 5.679 38.385 41.192 1.00183.94 1SG 330 ATOM 330 O SER 42 6.632 38.203 41.949 1.00183.94 1SG 331 ATOM 331 N GLY 43 5.752 38.180 39.861 1.00103.09 1SG 332 ATOM 332 CA GLY 43 6.983 37.803 39.236 1.00103.09 1SG 333 ATOM 333 C GLY 43 6.815 36.521 38.491 1.00103.09 1SG 334 ATOM 334 O GLY 43 6.217 35.561 38.976 1.00103.09 1SG 335 ATOM 335 N GLY 44 7.359 36.515 37.255 1.00108.95 1SG 336 ATOM 336 CA GLY 44 7.370 35.365 36.404 1.00108.95 1SG 337 ATOM 337 C GLY 44 8.772 34.906 36.459 1.00108.95 1SG 338 ATOM 338 O GLY 44 9.692 35.718 36.549 1.00108.95 1SG 339 ATOM 339 N ARG 45 9.004 33.589 36.424 1.00310.83 1SG 340 ATOM 340 CA ARG 45 10.387 33.269 36.521 1.00310.83 1SG 341 ATOM 341 CB ARG 45 10.882 33.317 37.973 1.00310.83 1SG 342 ATOM 342 CG ARG 45 12.360 32.983 38.152 1.00310.83 1SG 343 ATOM 343 CD ARG 45 12.783 33.056 39.617 1.00310.83 1SG 344 ATOM 344 NE ARG 45 14.198 32.605 39.708 1.00310.83 1SG 345 ATOM 345 CZ ARG 45 14.646 32.055 40.871 1.00310.83 1SG 346 ATOM 346 NH1 ARG 45 13.787 31.894 41.920 1.00310.83 1SG 347 ATOM 347 NH2 ARG 45 15.954 31.680 40.988 1.00310.83 1SG 348 ATOM 348 C ARG 45 10.609 31.894 36.030 1.00310.83 1SG 349 ATOM 349 O ARG 45 9.730 31.037 36.089 1.00310.83 1SG 350 ATOM 350 N LEU 46 11.804 31.660 35.473 1.00312.23 1SG 351 ATOM 351 CA LEU 46 12.123 30.307 35.190 1.00312.23 1SG 352 ATOM 352 CB LEU 46 12.438 29.993 33.724 1.00312.23 1SG 353 ATOM 353 CG LEU 46 12.804 28.524 33.504 1.00312.23 1SG 354 ATOM 354 CD2 LEU 46 12.408 28.125 32.082 1.00312.23 1SG 355 ATOM 355 CD1 LEU 46 12.059 27.615 34.496 1.00312.23 1SG 356 ATOM 356 C LEU 46 13.264 30.000 36.081 1.00312.23 1SG 357 ATOM 357 O LEU 46 14.212 30.778 36.196 1.00312.23 1SG 358 ATOM 358 N ILE 47 13.154 28.883 36.811 1.00177.86 1SG 359 ATOM 359 CA ILE 47 14.160 28.572 37.773 1.00177.86 1SG 360 ATOM 360 CB ILE 47 13.858 29.281 39.081 1.00177.86 1SG 361 ATOM 361 CG2 ILE 47 12.480 28.709 39.482 1.00177.86 1SG 362 ATOM 362 CG1 ILE 47 14.886 29.120 40.232 1.00177.86 1SG 363 ATOM 363 CD1 ILE 47 14.604 27.912 41.119 1.00177.86 1SG 364 ATOM 364 C ILE 47 14.065 27.113 38.001 1.00177.86 1SG 365 ATOM 365 O ILE 47 13.105 26.456 37.573 1.00177.86 1SG 366 ATOM 366 N GLY 48 15.084 26.564 38.672 1.00117.64 1SG 367 ATOM 367 CA GLY 48 14.887 25.210 39.057 1.00117.64 1SG 368 ATOM 368 C GLY 48 16.145 24.450 38.919 1.00117.64 1SG 369 ATOM 369 O GLY 48 17.020 24.755 38.109 1.00117.64 1SG 370 ATOM 370 N GLN 49 16.231 23.429 39.783 1.00362.21 1SG 371 ATOM 371 CA GLN 49 17.229 22.422 39.751 1.00362.21 1SG 372 ATOM 372 CB GLN 49 18.164 22.387 40.976 1.00362.21 1SG 373 ATOM 373 CG GLN 49 18.964 21.081 41.113 1.00362.21 1SG 374 ATOM 374 CD GLN 49 18.116 20.093 41.925 1.00362.21 1SG 375 ATOM 375 OE1 GLN 49 18.377 18.894 41.988 1.00362.21 1SG 376 ATOM 376 NE2 GLN 49 17.031 20.624 42.548 1.00362.21 1SG 377 ATOM 377 C GLN 49 16.416 21.194 39.813 1.00362.21 1SG 378 ATOM 378 O GLN 49 15.371 21.174 40.469 1.00362.21 1SG 379 ATOM 379 N ALA 50 16.866 20.146 39.110 1.00293.07 1SG 380 ATOM 380 CA ALA 50 16.159 18.909 39.156 1.00293.07 1SG 381 ATOM 381 CB ALA 50 14.633 19.029 38.943 1.00293.07 1SG 382 ATOM 382 C ALA 50 16.675 18.104 38.028 1.00293.07 1SG 383 ATOM 383 O ALA 50 17.347 18.619 37.132 1.00293.07 1SG 384 ATOM 384 N ASP 51 16.362 16.802 38.046 1.00 98.01 1SG 385 ATOM 385 CA ASP 51 16.809 15.999 36.957 1.00 98.01 1SG 386 ATOM 386 CB ASP 51 16.311 14.536 37.009 1.00 98.01 1SG 387 ATOM 387 CG ASP 51 16.829 13.826 38.251 1.00 98.01 1SG 388 ATOM 388 OD1 ASP 51 17.369 14.512 39.165 1.00 98.01 1SG 389 ATOM 389 OD2 ASP 51 16.670 12.574 38.297 1.00 98.01 1SG 390 ATOM 390 C ASP 51 16.145 16.577 35.748 1.00 98.01 1SG 391 ATOM 391 O ASP 51 16.787 16.772 34.719 1.00 98.01 1SG 392 ATOM 392 N LEU 52 14.841 16.907 35.862 1.00202.28 1SG 393 ATOM 393 CA LEU 52 14.209 17.256 34.626 1.00202.28 1SG 394 ATOM 394 CB LEU 52 13.451 16.051 34.053 1.00202.28 1SG 395 ATOM 395 CG LEU 52 14.251 14.730 34.073 1.00202.28 1SG 396 ATOM 396 CD2 LEU 52 15.574 14.797 33.281 1.00202.28 1SG 397 ATOM 397 CD1 LEU 52 13.358 13.570 33.605 1.00202.28 1SG 398 ATOM 398 C LEU 52 13.167 18.347 34.791 1.00202.28 1SG 399 ATOM 399 O LEU 52 12.145 18.089 35.425 1.00202.28 1SG 400 ATOM 400 N VAL 53 13.348 19.548 34.150 1.00335.77 1SG 401 ATOM 401 CA VAL 53 12.491 20.663 34.402 1.00335.77 1SG 402 ATOM 402 CB VAL 53 12.869 20.645 35.924 1.00335.77 1SG 403 ATOM 403 CG1 VAL 53 14.316 20.584 36.311 1.00335.77 1SG 404 ATOM 404 CG2 VAL 53 12.163 21.424 36.925 1.00335.77 1SG 405 ATOM 405 C VAL 53 12.683 21.691 33.210 1.00335.77 1SG 406 ATOM 406 O VAL 53 13.493 21.469 32.317 1.00335.77 1SG 407 ATOM 407 N GLY 54 11.864 22.767 32.990 1.00119.47 1SG 408 ATOM 408 CA GLY 54 12.020 23.686 31.847 1.00119.47 1SG 409 ATOM 409 C GLY 54 13.036 24.764 32.094 1.00119.47 1SG 410 ATOM 410 O GLY 54 13.344 25.112 33.216 1.00119.47 1SG 411 ATOM 411 N VAL 55 13.565 25.393 31.037 1.00136.84 1SG 412 ATOM 412 CA VAL 55 14.587 26.409 31.135 1.00136.84 1SG 413 ATOM 413 CB VAL 55 15.751 26.181 32.068 1.00136.84 1SG 414 ATOM 414 CG1 VAL 55 15.472 26.800 33.448 1.00136.84 1SG 415 ATOM 415 CG2 VAL 55 16.061 24.673 32.036 1.00136.84 1SG 416 ATOM 416 C VAL 55 15.169 26.462 29.797 1.00136.84 1SG 417 ATOM 417 O VAL 55 14.490 26.688 28.795 1.00136.84 1SG 418 ATOM 418 N GLU 56 16.497 26.368 29.763 1.00 61.22 1SG 419 ATOM 419 CA GLU 56 17.074 26.178 28.490 1.00 61.22 1SG 420 ATOM 420 CB GLU 56 18.595 26.222 28.581 1.00 61.22 1SG 421 ATOM 421 CG GLU 56 19.016 27.653 28.901 1.00 61.22 1SG 422 ATOM 422 CD GLU 56 20.424 27.677 29.459 1.00 61.22 1SG 423 ATOM 423 OE1 GLU 56 21.025 26.584 29.640 1.00 61.22 1SG 424 ATOM 424 OE2 GLU 56 20.916 28.806 29.724 1.00 61.22 1SG 425 ATOM 425 C GLU 56 16.577 24.828 28.106 1.00 61.22 1SG 426 ATOM 426 O GLU 56 16.099 24.615 26.991 1.00 61.22 1SG 427 ATOM 427 N GLY 57 16.618 23.889 29.072 1.00 30.05 1SG 428 ATOM 428 CA GLY 57 16.137 22.572 28.804 1.00 30.05 1SG 429 ATOM 429 C GLY 57 14.706 22.538 29.214 1.00 30.05 1SG 430 ATOM 430 O GLY 57 14.296 22.987 30.287 1.00 30.05 1SG 431 ATOM 431 N PRO 58 13.975 21.960 28.316 1.00 92.03 1SG 432 ATOM 432 CA PRO 58 12.577 21.743 28.515 1.00 92.03 1SG 433 ATOM 433 CD PRO 58 14.270 22.164 26.899 1.00 92.03 1SG 434 ATOM 434 CB PRO 58 12.062 21.227 27.169 1.00 92.03 1SG 435 ATOM 435 CG PRO 58 13.284 21.208 26.223 1.00 92.03 1SG 436 ATOM 436 C PRO 58 12.411 20.749 29.616 1.00 92.03 1SG 437 ATOM 437 O PRO 58 13.397 20.104 29.958 1.00 92.03 1SG 438 ATOM 438 N PHE 59 11.194 20.636 30.195 1.00258.24 1SG 439 ATOM 439 CA PHE 59 10.905 19.672 31.217 1.00258.24 1SG 440 ATOM 440 CB PHE 59 9.739 20.123 32.116 1.00258.24 1SG 441 ATOM 441 CG PHE 59 9.250 19.140 33.135 1.00258.24 1SG 442 ATOM 442 CD1 PHE 59 9.803 19.111 34.394 1.00258.24 1SG 443 ATOM 443 CD2 PHE 59 8.214 18.271 32.832 1.00258.24 1SG 444 ATOM 444 CE1 PHE 59 9.341 18.222 35.341 1.00258.24 1SG 445 ATOM 445 CE2 PHE 59 7.740 17.389 33.778 1.00258.24 1SG 446 ATOM 446 CZ PHE 59 8.298 17.373 35.040 1.00258.24 1SG 447 ATOM 447 C PHE 59 10.553 18.410 30.495 1.00258.24 1SG 448 ATOM 448 O PHE 59 9.609 18.323 29.711 1.00258.24 1SG 449 ATOM 449 N SER 60 11.412 17.432 30.763 1.00254.07 1SG 450 ATOM 450 CA SER 60 11.592 16.116 30.256 1.00254.07 1SG 451 ATOM 451 CB SER 60 11.416 15.934 28.735 1.00254.07 1SG 452 ATOM 452 OG SER 60 10.078 16.191 28.345 1.00254.07 1SG 453 ATOM 453 C SER 60 13.037 16.198 30.499 1.00254.07 1SG 454 ATOM 454 O SER 60 13.595 15.470 31.323 1.00254.07 1SG 455 ATOM 455 N VAL 61 13.695 17.090 29.707 1.00260.36 1SG 456 ATOM 456 CA VAL 61 14.991 17.523 30.138 1.00260.36 1SG 457 ATOM 457 CB VAL 61 15.851 18.105 29.036 1.00260.36 1SG 458 ATOM 458 CG1 VAL 61 16.616 16.929 28.392 1.00260.36 1SG 459 ATOM 459 CG2 VAL 61 14.941 18.790 27.985 1.00260.36 1SG 460 ATOM 460 C VAL 61 14.945 18.374 31.400 1.00260.36 1SG 461 ATOM 461 O VAL 61 14.020 18.133 32.140 1.00260.36 1SG 462 ATOM 462 N GLU 62 15.682 19.545 31.440 1.00254.70 1SG 463 ATOM 463 CA GLU 62 16.337 20.185 32.619 1.00254.70 1SG 464 ATOM 464 CB GLU 62 17.663 20.803 32.155 1.00254.70 1SG 465 ATOM 465 CG GLU 62 18.709 20.734 33.266 1.00254.70 1SG 466 ATOM 466 CD GLU 62 18.870 19.254 33.575 1.00254.70 1SG 467 ATOM 467 OE1 GLU 62 19.175 18.496 32.611 1.00254.70 1SG 468 ATOM 468 OE2 GLU 62 18.679 18.852 34.758 1.00254.70 1SG 469 ATOM 469 C GLU 62 15.976 21.069 33.867 1.00254.70 1SG 470 ATOM 470 O GLU 62 16.511 20.678 34.899 1.00254.70 1SG 471 ATOM 471 N GLU 63 15.360 22.310 33.868 1.00158.14 1SG 472 ATOM 472 CA GLU 63 15.231 23.121 35.116 1.00158.14 1SG 473 ATOM 473 CB GLU 63 15.980 24.429 35.013 1.00158.14 1SG 474 ATOM 474 CG GLU 63 17.491 24.276 34.912 1.00158.14 1SG 475 ATOM 475 CD GLU 63 18.141 25.644 34.755 1.00158.14 1SG 476 ATOM 476 OE1 GLU 63 17.687 26.607 35.428 1.00158.14 1SG 477 ATOM 477 OE2 GLU 63 19.111 25.742 33.955 1.00158.14 1SG 478 ATOM 478 C GLU 63 13.942 23.447 35.925 1.00158.14 1SG 479 ATOM 479 O GLU 63 13.969 23.456 37.157 1.00158.14 1SG 480 ATOM 480 N LEU 64 12.796 23.746 35.261 1.00171.17 1SG 481 ATOM 481 CA LEU 64 11.505 24.358 35.608 1.00171.17 1SG 482 ATOM 482 CB LEU 64 10.785 24.941 34.368 1.00171.17 1SG 483 ATOM 483 CG LEU 64 9.294 24.533 34.177 1.00171.17 1SG 484 ATOM 484 CD2 LEU 64 8.912 24.610 32.689 1.00171.17 1SG 485 ATOM 485 CD1 LEU 64 8.295 25.230 35.127 1.00171.17 1SG 486 ATOM 486 C LEU 64 10.398 23.739 36.424 1.00171.17 1SG 487 ATOM 487 O LEU 64 9.918 24.394 37.343 1.00171.17 1SG 488 ATOM 488 N LEU 65 9.866 22.553 36.098 1.00124.46 1SG 489 ATOM 489 CA LEU 65 8.709 22.025 36.764 1.00124.46 1SG 490 ATOM 490 CB LEU 65 8.025 20.862 36.013 1.00124.46 1SG 491 ATOM 491 CG LEU 65 7.497 21.337 34.621 1.00124.46 1SG 492 ATOM 492 CD2 LEU 65 6.897 22.739 34.676 1.00124.46 1SG 493 ATOM 493 CD1 LEU 65 6.534 20.342 33.962 1.00124.46 1SG 494 ATOM 494 C LEU 65 8.929 21.790 38.249 1.00124.46 1SG 495 ATOM 495 O LEU 65 8.010 21.397 38.959 1.00124.46 1SG 496 ATOM 496 N ALA 66 10.184 21.854 38.728 1.00 58.91 1SG 497 ATOM 497 CA ALA 66 10.608 21.849 40.104 1.00 58.91 1SG 498 ATOM 498 CB ALA 66 12.137 21.873 40.261 1.00 58.91 1SG 499 ATOM 499 C ALA 66 10.102 23.131 40.695 1.00 58.91 1SG 500 ATOM 500 O ALA 66 9.629 23.179 41.831 1.00 58.91 1SG 501 ATOM 501 N HIS 67 10.233 24.219 39.907 1.00103.77 1SG 502 ATOM 502 CA HIS 67 9.674 25.511 40.205 1.00103.77 1SG 503 ATOM 503 ND1 HIS 67 9.626 28.983 39.872 1.00103.77 1SG 504 ATOM 504 CG HIS 67 9.172 27.854 39.216 1.00103.77 1SG 505 ATOM 505 CB HIS 67 9.917 26.549 39.081 1.00103.77 1SG 506 ATOM 506 NE2 HIS 67 7.634 29.500 39.030 1.00103.77 1SG 507 ATOM 507 CD2 HIS 67 7.952 28.192 38.710 1.00103.77 1SG 508 ATOM 508 CE1 HIS 67 8.667 29.933 39.729 1.00103.77 1SG 509 ATOM 509 C HIS 67 8.215 25.238 40.228 1.00103.77 1SG 510 ATOM 510 O HIS 67 7.459 25.793 41.022 1.00103.77 1SG 511 ATOM 511 N GLN 68 7.807 24.349 39.311 1.00 87.37 1SG 512 ATOM 512 CA GLN 68 6.468 23.867 39.202 1.00 87.37 1SG 513 ATOM 513 CB GLN 68 6.167 23.092 37.904 1.00 87.37 1SG 514 ATOM 514 CG GLN 68 4.808 22.400 37.949 1.00 87.37 1SG 515 ATOM 515 CD GLN 68 4.503 21.790 36.591 1.00 87.37 1SG 516 ATOM 516 OE1 GLN 68 4.553 20.571 36.421 1.00 87.37 1SG 517 ATOM 517 NE2 GLN 68 4.190 22.658 35.591 1.00 87.37 1SG 518 ATOM 518 C GLN 68 6.169 23.024 40.412 1.00 87.37 1SG 519 ATOM 519 O GLN 68 5.025 22.676 40.666 1.00 87.37 1SG 520 ATOM 520 N GLU 69 7.187 22.533 41.137 1.00 42.68 1SG 521 ATOM 521 CA GLU 69 6.867 21.834 42.344 1.00 42.68 1SG 522 ATOM 522 CB GLU 69 8.103 21.184 42.996 1.00 42.68 1SG 523 ATOM 523 CG GLU 69 8.657 20.040 42.133 1.00 42.68 1SG 524 ATOM 524 CD GLU 69 9.870 19.399 42.802 1.00 42.68 1SG 525 ATOM 525 OE1 GLU 69 10.493 20.056 43.680 1.00 42.68 1SG 526 ATOM 526 OE2 GLU 69 10.191 18.235 42.437 1.00 42.68 1SG 527 ATOM 527 C GLU 69 6.295 22.882 43.246 1.00 42.68 1SG 528 ATOM 528 O GLU 69 5.318 22.666 43.964 1.00 42.68 1SG 529 ATOM 529 N LYS 70 6.918 24.071 43.187 1.00 64.86 1SG 530 ATOM 530 CA LYS 70 6.561 25.245 43.926 1.00 64.86 1SG 531 ATOM 531 CB LYS 70 7.640 26.325 43.705 1.00 64.86 1SG 532 ATOM 532 CG LYS 70 7.883 27.325 44.837 1.00 64.86 1SG 533 ATOM 533 CD LYS 70 9.248 28.004 44.664 1.00 64.86 1SG 534 ATOM 534 CE LYS 70 9.781 28.736 45.897 1.00 64.86 1SG 535 ATOM 535 NZ LYS 70 11.189 29.139 45.669 1.00 64.86 1SG 536 ATOM 536 C LYS 70 5.224 25.721 43.405 1.00 64.86 1SG 537 ATOM 537 O LYS 70 4.378 26.177 44.173 1.00 64.86 1SG 538 ATOM 538 N HIS 71 4.995 25.600 42.072 1.00120.94 1SG 539 ATOM 539 CA HIS 71 3.793 26.059 41.410 1.00120.94 1SG 540 ATOM 540 ND1 HIS 71 4.235 29.378 41.602 1.00120.94 1SG 541 ATOM 541 CG HIS 71 4.839 28.274 41.040 1.00120.94 1SG 542 ATOM 542 CB HIS 71 4.108 27.144 40.373 1.00120.94 1SG 543 ATOM 543 NE2 HIS 71 6.420 29.591 41.970 1.00120.94 1SG 544 ATOM 544 CD2 HIS 71 6.174 28.424 41.270 1.00120.94 1SG 545 ATOM 545 CE1 HIS 71 5.226 30.131 42.143 1.00120.94 1SG 546 ATOM 546 C HIS 71 3.180 24.854 40.744 1.00120.94 1SG 547 ATOM 547 O HIS 71 2.986 23.866 41.444 1.00120.94 1SG 548 ATOM 548 N LEU 72 2.754 24.913 39.445 1.00229.81 1SG 549 ATOM 549 CA LEU 72 2.304 23.699 38.779 1.00229.81 1SG 550 ATOM 550 CB LEU 72 0.922 23.138 39.202 1.00229.81 1SG 551 ATOM 551 CG LEU 72 0.678 22.638 40.642 1.00229.81 1SG 552 ATOM 552 CD2 LEU 72 -0.306 21.460 40.653 1.00229.81 1SG 553 ATOM 553 CD1 LEU 72 0.269 23.777 41.592 1.00229.81 1SG 554 ATOM 554 C LEU 72 2.046 23.888 37.286 1.00229.81 1SG 555 ATOM 555 O LEU 72 1.718 22.917 36.608 1.00229.81 1SG 556 ATOM 556 N ALA 73 2.201 25.108 36.755 1.00109.92 1SG 557 ATOM 557 CA ALA 73 1.596 25.522 35.501 1.00109.92 1SG 558 ATOM 558 CB ALA 73 1.544 27.059 35.450 1.00109.92 1SG 559 ATOM 559 C ALA 73 1.909 25.020 34.084 1.00109.92 1SG 560 ATOM 560 O ALA 73 0.952 24.629 33.416 1.00109.92 1SG 561 ATOM 561 N GLU 74 3.150 24.940 33.513 1.00156.35 1SG 562 ATOM 562 CA GLU 74 2.987 24.797 32.055 1.00156.35 1SG 563 ATOM 563 CB GLU 74 3.049 26.091 31.221 1.00156.35 1SG 564 ATOM 564 CG GLU 74 1.715 26.829 31.152 1.00156.35 1SG 565 ATOM 565 CD GLU 74 1.572 27.463 32.501 1.00156.35 1SG 566 ATOM 566 OE1 GLU 74 2.657 27.768 33.046 1.00156.35 1SG 567 ATOM 567 OE2 GLU 74 0.425 27.610 32.982 1.00156.35 1SG 568 ATOM 568 C GLU 74 3.811 23.840 31.231 1.00156.35 1SG 569 ATOM 569 O GLU 74 4.985 23.573 31.479 1.00156.35 1SG 570 ATOM 570 N GLU 75 3.068 23.309 30.216 1.00196.50 1SG 571 ATOM 571 CA GLU 75 3.237 22.419 29.070 1.00196.50 1SG 572 ATOM 572 CB GLU 75 1.924 21.702 28.704 1.00196.50 1SG 573 ATOM 573 CG GLU 75 0.732 22.643 28.423 1.00196.50 1SG 574 ATOM 574 CD GLU 75 0.873 23.352 27.071 1.00196.50 1SG 575 ATOM 575 OE1 GLU 75 1.485 22.761 26.139 1.00196.50 1SG 576 ATOM 576 OE2 GLU 75 0.366 24.503 26.958 1.00196.50 1SG 577 ATOM 577 C GLU 75 3.711 22.992 27.747 1.00196.50 1SG 578 ATOM 578 O GLU 75 4.258 22.252 26.929 1.00196.50 1SG 579 ATOM 579 N ALA 76 3.574 24.308 27.485 1.00104.54 1SG 580 ATOM 580 CA ALA 76 3.429 24.801 26.124 1.00104.54 1SG 581 ATOM 581 CB ALA 76 3.490 26.340 26.050 1.00104.54 1SG 582 ATOM 582 C ALA 76 4.371 24.266 25.067 1.00104.54 1SG 583 ATOM 583 O ALA 76 3.900 23.951 23.975 1.00104.54 1SG 584 ATOM 584 N PHE 77 5.684 24.127 25.300 1.00270.53 1SG 585 ATOM 585 CA PHE 77 6.560 23.625 24.258 1.00270.53 1SG 586 ATOM 586 CB PHE 77 7.985 23.340 24.748 1.00270.53 1SG 587 ATOM 587 CG PHE 77 7.940 23.938 26.086 1.00270.53 1SG 588 ATOM 588 CD1 PHE 77 8.262 25.264 26.259 1.00270.53 1SG 589 ATOM 589 CD2 PHE 77 7.533 23.158 27.150 1.00270.53 1SG 590 ATOM 590 CE1 PHE 77 8.187 25.804 27.515 1.00270.53 1SG 591 ATOM 591 CE2 PHE 77 7.457 23.710 28.398 1.00270.53 1SG 592 ATOM 592 CZ PHE 77 7.780 25.014 28.561 1.00270.53 1SG 593 ATOM 593 C PHE 77 6.053 22.256 23.953 1.00270.53 1SG 594 ATOM 594 O PHE 77 6.190 21.349 24.770 1.00270.53 1SG 595 ATOM 595 N LEU 78 5.457 22.066 22.764 1.00 72.00 1SG 596 ATOM 596 CA LEU 78 4.872 20.794 22.469 1.00 72.00 1SG 597 ATOM 597 CB LEU 78 4.136 20.763 21.122 1.00 72.00 1SG 598 ATOM 598 CG LEU 78 3.009 21.799 21.005 1.00 72.00 1SG 599 ATOM 599 CD2 LEU 78 2.181 21.892 22.297 1.00 72.00 1SG 600 ATOM 600 CD1 LEU 78 2.162 21.546 19.749 1.00 72.00 1SG 601 ATOM 601 C LEU 78 5.916 19.725 22.371 1.00 72.00 1SG 602 ATOM 602 O LEU 78 5.786 18.664 22.981 1.00 72.00 1SG 603 ATOM 603 N ARG 79 6.997 19.982 21.612 1.00 98.94 1SG 604 ATOM 604 CA ARG 79 7.959 18.946 21.359 1.00 98.94 1SG 605 ATOM 605 CB ARG 79 9.108 19.366 20.424 1.00 98.94 1SG 606 ATOM 606 CG ARG 79 10.094 18.223 20.148 1.00 98.94 1SG 607 ATOM 607 CD ARG 79 11.242 18.579 19.198 1.00 98.94 1SG 608 ATOM 608 NE ARG 79 12.074 17.353 19.032 1.00 98.94 1SG 609 ATOM 609 CZ ARG 79 13.052 17.310 18.080 1.00 98.94 1SG 610 ATOM 610 NH1 ARG 79 13.293 18.402 17.299 1.00 98.94 1SG 611 ATOM 611 NH2 ARG 79 13.793 16.176 17.910 1.00 98.94 1SG 612 ATOM 612 C ARG 79 8.593 18.544 22.639 1.00 98.94 1SG 613 ATOM 613 O ARG 79 8.772 17.361 22.928 1.00 98.94 1SG 614 ATOM 614 N ALA 80 8.920 19.559 23.446 1.00 57.89 1SG 615 ATOM 615 CA ALA 80 9.612 19.395 24.681 1.00 57.89 1SG 616 ATOM 616 CB ALA 80 9.677 20.739 25.410 1.00 57.89 1SG 617 ATOM 617 C ALA 80 8.778 18.513 25.530 1.00 57.89 1SG 618 ATOM 618 O ALA 80 9.255 17.554 26.139 1.00 57.89 1SG 619 ATOM 619 N TYR 81 7.481 18.833 25.549 1.00210.31 1SG 620 ATOM 620 CA TYR 81 6.549 18.133 26.364 1.00210.31 1SG 621 ATOM 621 CB TYR 81 5.549 19.135 26.932 1.00210.31 1SG 622 ATOM 622 CG TYR 81 6.203 19.851 28.063 1.00210.31 1SG 623 ATOM 623 CD1 TYR 81 7.528 20.248 28.015 1.00210.31 1SG 624 ATOM 624 CD2 TYR 81 5.447 20.170 29.161 1.00210.31 1SG 625 ATOM 625 CE1 TYR 81 8.078 20.928 29.077 1.00210.31 1SG 626 ATOM 626 CE2 TYR 81 5.986 20.846 30.217 1.00210.31 1SG 627 ATOM 627 CZ TYR 81 7.300 21.236 30.180 1.00210.31 1SG 628 ATOM 628 OH TYR 81 7.810 21.938 31.288 1.00210.31 1SG 629 ATOM 629 C TYR 81 5.820 17.187 25.473 1.00210.31 1SG 630 ATOM 630 O TYR 81 4.602 17.271 25.312 1.00210.31 1SG 631 ATOM 631 N ALA 82 6.572 16.240 24.884 1.00 53.18 1SG 632 ATOM 632 CA ALA 82 5.991 15.250 24.037 1.00 53.18 1SG 633 ATOM 633 CB ALA 82 7.044 14.355 23.364 1.00 53.18 1SG 634 ATOM 634 C ALA 82 5.129 14.380 24.887 1.00 53.18 1SG 635 ATOM 635 O ALA 82 4.006 14.040 24.518 1.00 53.18 1SG 636 ATOM 636 N LYS 83 5.638 14.016 26.078 1.00169.26 1SG 637 ATOM 637 CA LYS 83 4.906 13.115 26.914 1.00169.26 1SG 638 ATOM 638 CB LYS 83 5.805 11.979 27.432 1.00169.26 1SG 639 ATOM 639 CG LYS 83 6.374 11.141 26.283 1.00169.26 1SG 640 ATOM 640 CD LYS 83 7.619 10.320 26.631 1.00169.26 1SG 641 ATOM 641 CE LYS 83 8.244 9.638 25.409 1.00169.26 1SG 642 ATOM 642 NZ LYS 83 9.636 9.229 25.703 1.00169.26 1SG 643 ATOM 643 C LYS 83 4.393 13.883 28.087 1.00169.26 1SG 644 ATOM 644 O LYS 83 5.158 14.262 28.972 1.00169.26 1SG 645 ATOM 645 N ASP 84 3.068 14.142 28.110 1.00206.72 1SG 646 ATOM 646 CA ASP 84 2.482 14.848 29.212 1.00206.72 1SG 647 ATOM 647 CB ASP 84 2.571 16.371 29.112 1.00206.72 1SG 648 ATOM 648 CG ASP 84 3.969 16.708 29.588 1.00206.72 1SG 649 ATOM 649 OD1 ASP 84 4.432 16.083 30.581 1.00206.72 1SG 650 ATOM 650 OD2 ASP 84 4.608 17.584 28.964 1.00206.72 1SG 651 ATOM 651 C ASP 84 1.051 14.463 29.384 1.00206.72 1SG 652 ATOM 652 O ASP 84 0.697 13.291 29.255 1.00206.72 1SG 653 ATOM 653 N GLU 85 0.191 15.458 29.697 1.00217.05 1SG 654 ATOM 654 CA GLU 85 -1.170 15.145 30.018 1.00217.05 1SG 655 ATOM 655 CB GLU 85 -1.386 15.030 31.547 1.00217.05 1SG 656 ATOM 656 CG GLU 85 -0.562 16.023 32.377 1.00217.05 1SG 657 ATOM 657 CD GLU 85 -0.825 15.749 33.850 1.00217.05 1SG 658 ATOM 658 OE1 GLU 85 -1.644 14.838 34.145 1.00217.05 1SG 659 ATOM 659 OE2 GLU 85 -0.210 16.446 34.701 1.00217.05 1SG 660 ATOM 660 C GLU 85 -2.183 15.992 29.265 1.00217.05 1SG 661 ATOM 661 O GLU 85 -2.202 15.895 28.039 1.00217.05 1SG 662 ATOM 662 N PRO 86 -3.033 16.805 29.879 1.00 95.09 1SG 663 ATOM 663 CA PRO 86 -4.161 17.385 29.182 1.00 95.09 1SG 664 ATOM 664 CD PRO 86 -2.587 17.717 30.927 1.00 95.09 1SG 665 ATOM 665 CB PRO 86 -4.774 18.388 30.152 1.00 95.09 1SG 666 ATOM 666 CG PRO 86 -3.538 18.923 30.887 1.00 95.09 1SG 667 ATOM 667 C PRO 86 -3.822 18.095 27.913 1.00 95.09 1SG 668 ATOM 668 O PRO 86 -2.766 18.720 27.831 1.00 95.09 1SG 669 ATOM 669 N LEU 87 -4.718 17.990 26.908 1.00 42.77 1SG 670 ATOM 670 CA LEU 87 -4.544 18.674 25.660 1.00 42.77 1SG 671 ATOM 671 CB LEU 87 -4.543 17.740 24.434 1.00 42.77 1SG 672 ATOM 672 CG LEU 87 -3.347 16.778 24.359 1.00 42.77 1SG 673 ATOM 673 CD2 LEU 87 -2.011 17.537 24.459 1.00 42.77 1SG 674 ATOM 674 CD1 LEU 87 -3.427 15.897 23.101 1.00 42.77 1SG 675 ATOM 675 C LEU 87 -5.726 19.569 25.480 1.00 42.77 1SG 676 ATOM 676 O LEU 87 -6.869 19.155 25.664 1.00 42.77 1SG 677 ATOM 677 N TYR 88 -5.472 20.839 25.127 1.00 48.27 1SG 678 ATOM 678 CA TYR 88 -6.558 21.721 24.839 1.00 48.27 1SG 679 ATOM 679 CB TYR 88 -6.463 23.055 25.607 1.00 48.27 1SG 680 ATOM 680 CG TYR 88 -6.600 22.738 27.065 1.00 48.27 1SG 681 ATOM 681 CD1 TYR 88 -7.841 22.643 27.656 1.00 48.27 1SG 682 ATOM 682 CD2 TYR 88 -5.484 22.531 27.847 1.00 48.27 1SG 683 ATOM 683 CE1 TYR 88 -7.968 22.347 28.994 1.00 48.27 1SG 684 ATOM 684 CE2 TYR 88 -5.604 22.236 29.186 1.00 48.27 1SG 685 ATOM 685 CZ TYR 88 -6.848 22.142 29.764 1.00 48.27 1SG 686 ATOM 686 OH TYR 88 -6.974 21.843 31.138 1.00 48.27 1SG 687 ATOM 687 C TYR 88 -6.438 21.967 23.369 1.00 48.27 1SG 688 ATOM 688 O TYR 88 -5.468 22.568 22.909 1.00 48.27 1SG 689 ATOM 689 N ALA 89 -7.430 21.493 22.588 1.00 40.41 1SG 690 ATOM 690 CA ALA 89 -7.335 21.555 21.156 1.00 40.41 1SG 691 ATOM 691 CB ALA 89 -7.911 20.305 20.466 1.00 40.41 1SG 692 ATOM 692 C ALA 89 -8.105 22.732 20.654 1.00 40.41 1SG 693 ATOM 693 O ALA 89 -9.193 23.038 21.138 1.00 40.41 1SG 694 ATOM 694 N TRP 90 -7.519 23.446 19.670 1.00188.92 1SG 695 ATOM 695 CA TRP 90 -8.163 24.580 19.073 1.00188.92 1SG 696 ATOM 696 CB TRP 90 -7.391 25.859 19.435 1.00188.92 1SG 697 ATOM 697 CG TRP 90 -8.033 27.195 19.142 1.00188.92 1SG 698 ATOM 698 CD2 TRP 90 -8.671 28.014 20.131 1.00188.92 1SG 699 ATOM 699 CD1 TRP 90 -8.072 27.914 17.990 1.00188.92 1SG 700 ATOM 700 NE1 TRP 90 -8.637 29.134 18.189 1.00188.92 1SG 701 ATOM 701 CE2 TRP 90 -9.025 29.212 19.504 1.00188.92 1SG 702 ATOM 702 CE3 TRP 90 -8.935 27.791 21.450 1.00188.92 1SG 703 ATOM 703 CZ2 TRP 90 -9.654 30.207 20.191 1.00188.92 1SG 704 ATOM 704 CZ3 TRP 90 -9.572 28.800 22.142 1.00188.92 1SG 705 ATOM 705 CH2 TRP 90 -9.922 29.985 21.526 1.00188.92 1SG 706 ATOM 706 C TRP 90 -8.049 24.351 17.593 1.00188.92 1SG 707 ATOM 707 O TRP 90 -7.495 25.176 16.865 1.00188.92 1SG 708 ATOM 708 N VAL 91 -8.649 23.241 17.114 1.00 87.97 1SG 709 ATOM 709 CA VAL 91 -8.536 22.803 15.750 1.00 87.97 1SG 710 ATOM 710 CB VAL 91 -9.309 21.539 15.464 1.00 87.97 1SG 711 ATOM 711 CG1 VAL 91 -9.191 21.145 13.978 1.00 87.97 1SG 712 ATOM 712 CG2 VAL 91 -8.768 20.449 16.408 1.00 87.97 1SG 713 ATOM 713 C VAL 91 -8.992 23.908 14.876 1.00 87.97 1SG 714 ATOM 714 O VAL 91 -9.610 24.847 15.359 1.00 87.97 1SG 715 ATOM 715 N LEU 92 -8.597 23.863 13.587 1.00196.93 1SG 716 ATOM 716 CA LEU 92 -8.916 24.851 12.606 1.00196.93 1SG 717 ATOM 717 CB LEU 92 -7.628 25.505 12.069 1.00196.93 1SG 718 ATOM 718 CG LEU 92 -7.807 26.414 10.849 1.00196.93 1SG 719 ATOM 719 CD2 LEU 92 -6.473 27.122 10.502 1.00196.93 1SG 720 ATOM 720 CD1 LEU 92 -8.966 27.396 11.068 1.00196.93 1SG 721 ATOM 721 C LEU 92 -9.651 24.206 11.472 1.00196.93 1SG 722 ATOM 722 O LEU 92 -9.174 23.249 10.866 1.00196.93 1SG 723 ATOM 723 N GLU 93 -10.864 24.717 11.189 1.00 89.55 1SG 724 ATOM 724 CA GLU 93 -11.680 24.249 10.106 1.00 89.55 1SG 725 ATOM 725 CB GLU 93 -13.066 24.922 10.113 1.00 89.55 1SG 726 ATOM 726 CG GLU 93 -14.026 24.508 8.994 1.00 89.55 1SG 727 ATOM 727 CD GLU 93 -15.235 25.432 9.110 1.00 89.55 1SG 728 ATOM 728 OE1 GLU 93 -15.255 26.239 10.078 1.00 89.55 1SG 729 ATOM 729 OE2 GLU 93 -16.145 25.356 8.242 1.00 89.55 1SG 730 ATOM 730 C GLU 93 -11.038 24.652 8.823 1.00 89.55 1SG 731 ATOM 731 O GLU 93 -10.916 23.860 7.890 1.00 89.55 1SG 732 ATOM 732 N ASN 94 -10.578 25.917 8.780 1.00 88.51 1SG 733 ATOM 733 CA ASN 94 -10.093 26.536 7.582 1.00 88.51 1SG 734 ATOM 734 CB ASN 94 -10.241 28.067 7.625 1.00 88.51 1SG 735 ATOM 735 CG ASN 94 -10.080 28.611 6.215 1.00 88.51 1SG 736 ATOM 736 OD1 ASN 94 -9.649 29.747 6.023 1.00 88.51 1SG 737 ATOM 737 ND2 ASN 94 -10.448 27.788 5.197 1.00 88.51 1SG 738 ATOM 738 C ASN 94 -8.657 26.220 7.344 1.00 88.51 1SG 739 ATOM 739 O ASN 94 -7.942 25.741 8.220 1.00 88.51 1SG 740 ATOM 740 N ALA 95 -8.207 26.473 6.098 1.00 26.93 1SG 741 ATOM 741 CA ALA 95 -6.840 26.249 5.753 1.00 26.93 1SG 742 ATOM 742 CB ALA 95 -6.660 25.540 4.400 1.00 26.93 1SG 743 ATOM 743 C ALA 95 -6.200 27.591 5.635 1.00 26.93 1SG 744 ATOM 744 O ALA 95 -6.744 28.502 5.012 1.00 26.93 1SG 745 ATOM 745 N PHE 96 -5.022 27.750 6.262 1.00 43.49 1SG 746 ATOM 746 CA PHE 96 -4.303 28.983 6.163 1.00 43.49 1SG 747 ATOM 747 CB PHE 96 -4.090 29.714 7.499 1.00 43.49 1SG 748 ATOM 748 CG PHE 96 -5.372 30.370 7.878 1.00 43.49 1SG 749 ATOM 749 CD1 PHE 96 -6.372 29.665 8.503 1.00 43.49 1SG 750 ATOM 750 CD2 PHE 96 -5.570 31.704 7.604 1.00 43.49 1SG 751 ATOM 751 CE1 PHE 96 -7.551 30.277 8.852 1.00 43.49 1SG 752 ATOM 752 CE2 PHE 96 -6.747 32.326 7.950 1.00 43.49 1SG 753 ATOM 753 CZ PHE 96 -7.736 31.610 8.574 1.00 43.49 1SG 754 ATOM 754 C PHE 96 -2.958 28.632 5.649 1.00 43.49 1SG 755 ATOM 755 O PHE 96 -2.497 27.503 5.809 1.00 43.49 1SG 756 ATOM 756 N ARG 97 -2.299 29.599 4.992 1.00 77.51 1SG 757 ATOM 757 CA ARG 97 -1.002 29.319 4.468 1.00 77.51 1SG 758 ATOM 758 CB ARG 97 -0.657 30.261 3.299 1.00 77.51 1SG 759 ATOM 759 CG ARG 97 0.659 29.976 2.572 1.00 77.51 1SG 760 ATOM 760 CD ARG 97 0.890 30.952 1.414 1.00 77.51 1SG 761 ATOM 761 NE ARG 97 2.177 30.604 0.750 1.00 77.51 1SG 762 ATOM 762 CZ ARG 97 2.463 31.141 -0.474 1.00 77.51 1SG 763 ATOM 763 NH1 ARG 97 1.568 31.978 -1.073 1.00 77.51 1SG 764 ATOM 764 NH2 ARG 97 3.638 30.840 -1.098 1.00 77.51 1SG 765 ATOM 765 C ARG 97 -0.045 29.576 5.583 1.00 77.51 1SG 766 ATOM 766 O ARG 97 0.856 30.405 5.468 1.00 77.51 1SG 767 ATOM 767 N TYR 98 -0.226 28.850 6.705 1.00140.46 1SG 768 ATOM 768 CA TYR 98 0.671 28.999 7.809 1.00140.46 1SG 769 ATOM 769 CB TYR 98 0.184 29.945 8.918 1.00140.46 1SG 770 ATOM 770 CG TYR 98 1.373 30.237 9.774 1.00140.46 1SG 771 ATOM 771 CD1 TYR 98 2.336 31.106 9.316 1.00140.46 1SG 772 ATOM 772 CD2 TYR 98 1.527 29.676 11.022 1.00140.46 1SG 773 ATOM 773 CE1 TYR 98 3.446 31.399 10.071 1.00140.46 1SG 774 ATOM 774 CE2 TYR 98 2.636 29.965 11.784 1.00140.46 1SG 775 ATOM 775 CZ TYR 98 3.592 30.836 11.315 1.00140.46 1SG 776 ATOM 776 OH TYR 98 4.728 31.137 12.096 1.00140.46 1SG 777 ATOM 777 C TYR 98 0.829 27.643 8.408 1.00140.46 1SG 778 ATOM 778 O TYR 98 0.065 26.723 8.118 1.00140.46 1SG 779 ATOM 779 N GLU 99 1.864 27.493 9.250 1.00 43.72 1SG 780 ATOM 780 CA GLU 99 2.200 26.243 9.859 1.00 43.72 1SG 781 ATOM 781 CB GLU 99 3.538 26.333 10.610 1.00 43.72 1SG 782 ATOM 782 CG GLU 99 4.717 26.561 9.660 1.00 43.72 1SG 783 ATOM 783 CD GLU 99 5.910 27.073 10.460 1.00 43.72 1SG 784 ATOM 784 OE1 GLU 99 5.686 27.718 11.519 1.00 43.72 1SG 785 ATOM 785 OE2 GLU 99 7.065 26.832 10.016 1.00 43.72 1SG 786 ATOM 786 C GLU 99 1.144 25.796 10.826 1.00 43.72 1SG 787 ATOM 787 O GLU 99 0.766 24.625 10.825 1.00 43.72 1SG 788 ATOM 788 N LYS 100 0.609 26.705 11.667 1.00 59.39 1SG 789 ATOM 789 CA LYS 100 -0.269 26.197 12.682 1.00 59.39 1SG 790 ATOM 790 CB LYS 100 0.277 26.468 14.088 1.00 59.39 1SG 791 ATOM 791 CG LYS 100 1.621 25.760 14.266 1.00 59.39 1SG 792 ATOM 792 CD LYS 100 2.497 26.303 15.391 1.00 59.39 1SG 793 ATOM 793 CE LYS 100 3.923 25.753 15.335 1.00 59.39 1SG 794 ATOM 794 NZ LYS 100 4.784 26.463 16.305 1.00 59.39 1SG 795 ATOM 795 C LYS 100 -1.640 26.777 12.553 1.00 59.39 1SG 796 ATOM 796 O LYS 100 -1.858 27.970 12.353 1.00 59.39 1SG 797 ATOM 797 N PRO 101 -2.555 25.853 12.640 1.00152.22 1SG 798 ATOM 798 CA PRO 101 -3.957 26.159 12.568 1.00152.22 1SG 799 ATOM 799 CD PRO 101 -2.272 24.564 12.030 1.00152.22 1SG 800 ATOM 800 CB PRO 101 -4.662 24.895 12.096 1.00152.22 1SG 801 ATOM 801 CG PRO 101 -3.572 24.136 11.335 1.00152.22 1SG 802 ATOM 802 C PRO 101 -4.465 26.572 13.900 1.00152.22 1SG 803 ATOM 803 O PRO 101 -3.678 26.695 14.835 1.00152.22 1SG 804 ATOM 804 N LEU 102 -5.781 26.842 13.960 1.00183.69 1SG 805 ATOM 805 CA LEU 102 -6.519 27.137 15.147 1.00183.69 1SG 806 ATOM 806 CB LEU 102 -5.722 27.883 16.233 1.00183.69 1SG 807 ATOM 807 CG LEU 102 -5.403 26.960 17.450 1.00183.69 1SG 808 ATOM 808 CD2 LEU 102 -4.596 27.711 18.523 1.00183.69 1SG 809 ATOM 809 CD1 LEU 102 -4.803 25.607 17.071 1.00183.69 1SG 810 ATOM 810 C LEU 102 -7.799 27.805 14.752 1.00183.69 1SG 811 ATOM 811 O LEU 102 -7.826 28.685 13.892 1.00183.69 1SG 812 ATOM 812 N HIS 103 -8.911 27.346 15.357 1.00179.01 1SG 813 ATOM 813 CA HIS 103 -10.215 27.842 15.041 1.00179.01 1SG 814 ATOM 814 ND1 HIS 103 -12.759 25.818 12.814 1.00179.01 1SG 815 ATOM 815 CG HIS 103 -11.890 26.015 13.869 1.00179.01 1SG 816 ATOM 816 CB HIS 103 -10.812 27.099 13.790 1.00179.01 1SG 817 ATOM 817 NE2 HIS 103 -13.340 24.357 14.379 1.00179.01 1SG 818 ATOM 818 CD2 HIS 103 -12.268 25.112 14.811 1.00179.01 1SG 819 ATOM 819 CE1 HIS 103 -13.602 24.819 13.171 1.00179.01 1SG 820 ATOM 820 C HIS 103 -11.030 27.672 16.295 1.00179.01 1SG 821 ATOM 821 O HIS 103 -10.789 26.738 17.057 1.00179.01 1SG 822 ATOM 822 N VAL 104 -11.927 28.648 16.584 1.00 93.42 1SG 823 ATOM 823 CA VAL 104 -12.860 28.698 17.691 1.00 93.42 1SG 824 ATOM 824 CB VAL 104 -12.184 29.047 18.995 1.00 93.42 1SG 825 ATOM 825 CG1 VAL 104 -13.190 29.577 20.033 1.00 93.42 1SG 826 ATOM 826 CG2 VAL 104 -11.552 27.733 19.501 1.00 93.42 1SG 827 ATOM 827 C VAL 104 -13.884 29.723 17.295 1.00 93.42 1SG 828 ATOM 828 O VAL 104 -13.498 30.836 16.941 1.00 93.42 1SG 829 ATOM 829 N PRO 105 -15.165 29.440 17.444 1.00163.89 1SG 830 ATOM 830 CA PRO 105 -16.228 30.172 16.788 1.00163.89 1SG 831 ATOM 831 CD PRO 105 -15.668 28.673 18.577 1.00163.89 1SG 832 ATOM 832 CB PRO 105 -17.508 29.872 17.569 1.00163.89 1SG 833 ATOM 833 CG PRO 105 -17.190 28.591 18.357 1.00163.89 1SG 834 ATOM 834 C PRO 105 -16.073 31.633 16.529 1.00163.89 1SG 835 ATOM 835 O PRO 105 -15.851 32.415 17.451 1.00163.89 1SG 836 ATOM 836 N ARG 106 -16.215 31.983 15.233 1.00108.42 1SG 837 ATOM 837 CA ARG 106 -16.142 33.306 14.691 1.00108.42 1SG 838 ATOM 838 CB ARG 106 -14.725 33.696 14.223 1.00108.42 1SG 839 ATOM 839 CG ARG 106 -14.499 35.157 13.808 1.00108.42 1SG 840 ATOM 840 CD ARG 106 -13.067 35.400 13.310 1.00108.42 1SG 841 ATOM 841 NE ARG 106 -12.962 36.832 12.907 1.00108.42 1SG 842 ATOM 842 CZ ARG 106 -11.753 37.428 12.668 1.00108.42 1SG 843 ATOM 843 NH1 ARG 106 -10.583 36.735 12.798 1.00108.42 1SG 844 ATOM 844 NH2 ARG 106 -11.722 38.741 12.294 1.00108.42 1SG 845 ATOM 845 C ARG 106 -16.972 33.248 13.455 1.00108.42 1SG 846 ATOM 846 O ARG 106 -17.622 32.244 13.166 1.00108.42 1SG 847 ATOM 847 N ARG 107 -16.967 34.353 12.704 1.00102.96 1SG 848 ATOM 848 CA ARG 107 -17.682 34.471 11.479 1.00102.96 1SG 849 ATOM 849 CB ARG 107 -17.531 35.890 10.909 1.00102.96 1SG 850 ATOM 850 CG ARG 107 -18.448 36.220 9.739 1.00102.96 1SG 851 ATOM 851 CD ARG 107 -18.352 37.690 9.336 1.00102.96 1SG 852 ATOM 852 NE ARG 107 -19.273 37.910 8.190 1.00102.96 1SG 853 ATOM 853 CZ ARG 107 -19.590 39.185 7.823 1.00102.96 1SG 854 ATOM 854 NH1 ARG 107 -19.087 40.242 8.526 1.00102.96 1SG 855 ATOM 855 NH2 ARG 107 -20.404 39.402 6.749 1.00102.96 1SG 856 ATOM 856 C ARG 107 -17.134 33.473 10.493 1.00102.96 1SG 857 ATOM 857 O ARG 107 -17.908 32.827 9.788 1.00102.96 1SG 858 ATOM 858 N PRO 108 -15.836 33.299 10.413 1.00156.20 1SG 859 ATOM 859 CA PRO 108 -15.298 32.375 9.447 1.00156.20 1SG 860 ATOM 860 CD PRO 108 -14.909 34.391 10.656 1.00156.20 1SG 861 ATOM 861 CB PRO 108 -13.807 32.705 9.313 1.00156.20 1SG 862 ATOM 862 CG PRO 108 -13.532 33.759 10.403 1.00156.20 1SG 863 ATOM 863 C PRO 108 -15.600 30.917 9.659 1.00156.20 1SG 864 ATOM 864 O PRO 108 -15.551 30.171 8.682 1.00156.20 1SG 865 ATOM 865 N GLY 109 -15.899 30.475 10.896 1.00122.18 1SG 866 ATOM 866 CA GLY 109 -16.224 29.093 11.130 1.00122.18 1SG 867 ATOM 867 C GLY 109 -15.162 28.474 11.979 1.00122.18 1SG 868 ATOM 868 O GLY 109 -14.049 28.206 11.520 1.00122.18 1SG 869 ATOM 869 N ARG 110 -15.510 28.185 13.252 1.00158.94 1SG 870 ATOM 870 CA ARG 110 -14.504 27.657 14.108 1.00158.94 1SG 871 ATOM 871 CB ARG 110 -13.298 28.602 14.129 1.00158.94 1SG 872 ATOM 872 CG ARG 110 -13.505 30.089 14.332 1.00158.94 1SG 873 ATOM 873 CD ARG 110 -12.177 30.834 14.153 1.00158.94 1SG 874 ATOM 874 NE ARG 110 -12.319 32.233 14.652 1.00158.94 1SG 875 ATOM 875 CZ ARG 110 -11.756 32.639 15.831 1.00158.94 1SG 876 ATOM 876 NH1 ARG 110 -10.944 31.787 16.518 1.00158.94 1SG 877 ATOM 877 NH2 ARG 110 -12.007 33.892 16.313 1.00158.94 1SG 878 ATOM 878 C ARG 110 -15.064 27.275 15.448 1.00158.94 1SG 879 ATOM 879 O ARG 110 -16.211 27.590 15.759 1.00158.94 1SG 880 ATOM 880 N VAL 111 -14.274 26.511 16.244 1.00117.58 1SG 881 ATOM 881 CA VAL 111 -14.745 25.995 17.499 1.00117.58 1SG 882 ATOM 882 CB VAL 111 -15.758 24.915 17.299 1.00117.58 1SG 883 ATOM 883 CG1 VAL 111 -15.049 23.741 16.600 1.00117.58 1SG 884 ATOM 884 CG2 VAL 111 -16.410 24.564 18.648 1.00117.58 1SG 885 ATOM 885 C VAL 111 -13.611 25.422 18.312 1.00117.58 1SG 886 ATOM 886 O VAL 111 -12.544 25.089 17.801 1.00117.58 1SG 887 ATOM 887 N MET 112 -13.861 25.268 19.630 1.00 78.66 1SG 888 ATOM 888 CA MET 112 -12.911 24.816 20.612 1.00 78.66 1SG 889 ATOM 889 CB MET 112 -13.161 25.444 21.991 1.00 78.66 1SG 890 ATOM 890 CG MET 112 -13.081 26.971 22.032 1.00 78.66 1SG 891 ATOM 891 SD MET 112 -13.650 27.689 23.604 1.00 78.66 1SG 892 ATOM 892 CE MET 112 -13.205 29.402 23.200 1.00 78.66 1SG 893 ATOM 893 C MET 112 -13.073 23.342 20.835 1.00 78.66 1SG 894 ATOM 894 O MET 112 -14.061 22.738 20.419 1.00 78.66 1SG 895 ATOM 895 N PHE 113 -12.056 22.724 21.481 1.00107.25 1SG 896 ATOM 896 CA PHE 113 -12.106 21.335 21.861 1.00107.25 1SG 897 ATOM 897 CB PHE 113 -11.542 20.369 20.798 1.00107.25 1SG 898 ATOM 898 CG PHE 113 -12.487 20.344 19.647 1.00107.25 1SG 899 ATOM 899 CD1 PHE 113 -12.407 21.289 18.645 1.00107.25 1SG 900 ATOM 900 CD2 PHE 113 -13.463 19.377 19.576 1.00107.25 1SG 901 ATOM 901 CE1 PHE 113 -13.281 21.253 17.583 1.00107.25 1SG 902 ATOM 902 CE2 PHE 113 -14.340 19.339 18.520 1.00107.25 1SG 903 ATOM 903 CZ PHE 113 -14.257 20.288 17.527 1.00107.25 1SG 904 ATOM 904 C PHE 113 -11.269 21.166 23.097 1.00107.25 1SG 905 ATOM 905 O PHE 113 -10.344 21.941 23.340 1.00107.25 1SG 906 ATOM 906 N VAL 114 -11.587 20.151 23.932 1.00 34.95 1SG 907 ATOM 907 CA VAL 114 -10.805 19.904 25.114 1.00 34.95 1SG 908 ATOM 908 CB VAL 114 -11.508 20.304 26.381 1.00 34.95 1SG 909 ATOM 909 CG1 VAL 114 -10.629 19.921 27.583 1.00 34.95 1SG 910 ATOM 910 CG2 VAL 114 -11.832 21.807 26.303 1.00 34.95 1SG 911 ATOM 911 C VAL 114 -10.553 18.428 25.175 1.00 34.95 1SG 912 ATOM 912 O VAL 114 -11.444 17.631 24.886 1.00 34.95 1SG 913 ATOM 913 N ASP 115 -9.321 18.020 25.543 1.00 43.35 1SG 914 ATOM 914 CA ASP 115 -9.022 16.616 25.587 1.00 43.35 1SG 915 ATOM 915 CB ASP 115 -8.086 16.147 24.457 1.00 43.35 1SG 916 ATOM 916 CG ASP 115 -8.845 16.197 23.138 1.00 43.35 1SG 917 ATOM 917 OD1 ASP 115 -10.099 16.319 23.176 1.00 43.35 1SG 918 ATOM 918 OD2 ASP 115 -8.178 16.113 22.072 1.00 43.35 1SG 919 ATOM 919 C ASP 115 -8.321 16.292 26.871 1.00 43.35 1SG 920 ATOM 920 O ASP 115 -7.538 17.088 27.388 1.00 43.35 1SG 921 ATOM 921 N LEU 116 -8.621 15.102 27.428 1.00 90.67 1SG 922 ATOM 922 CA LEU 116 -7.952 14.622 28.603 1.00 90.67 1SG 923 ATOM 923 CB LEU 116 -8.873 14.401 29.817 1.00 90.67 1SG 924 ATOM 924 CG LEU 116 -9.445 15.703 30.407 1.00 90.67 1SG 925 ATOM 925 CD2 LEU 116 -10.101 15.456 31.776 1.00 90.67 1SG 926 ATOM 926 CD1 LEU 116 -10.377 16.413 29.413 1.00 90.67 1SG 927 ATOM 927 C LEU 116 -7.353 13.302 28.240 1.00 90.67 1SG 928 ATOM 928 O LEU 116 -7.804 12.643 27.306 1.00 90.67 1SG 929 ATOM 929 N SER 117 -6.290 12.892 28.959 1.00134.21 1SG 930 ATOM 930 CA SER 117 -5.644 11.646 28.653 1.00134.21 1SG 931 ATOM 931 CB SER 117 -4.238 11.515 29.261 1.00134.21 1SG 932 ATOM 932 OG SER 117 -3.671 10.261 28.913 1.00134.21 1SG 933 ATOM 933 C SER 117 -6.474 10.524 29.191 1.00134.21 1SG 934 ATOM 934 O SER 117 -7.279 10.709 30.100 1.00134.21 1SG 935 ATOM 935 N GLU 118 -6.302 9.324 28.602 1.00 38.35 1SG 936 ATOM 936 CA GLU 118 -7.011 8.161 29.048 1.00 38.35 1SG 937 ATOM 937 CB GLU 118 -7.235 7.100 27.956 1.00 38.35 1SG 938 ATOM 938 CG GLU 118 -8.206 7.535 26.856 1.00 38.35 1SG 939 ATOM 939 CD GLU 118 -8.327 6.388 25.861 1.00 38.35 1SG 940 ATOM 940 OE1 GLU 118 -7.688 5.328 26.099 1.00 38.35 1SG 941 ATOM 941 OE2 GLU 118 -9.060 6.556 24.851 1.00 38.35 1SG 942 ATOM 942 C GLU 118 -6.196 7.516 30.116 1.00 38.35 1SG 943 ATOM 943 O GLU 118 -5.004 7.783 30.255 1.00 38.35 1SG 944 ATOM 944 N VAL 119 -6.839 6.650 30.923 1.00 6.45 1SG 945 ATOM 945 CA VAL 119 -6.132 5.961 31.959 1.00 6.45 1SG 946 ATOM 946 CB VAL 119 -7.009 5.052 32.770 1.00 6.45 1SG 947 ATOM 947 CG1 VAL 119 -6.126 4.266 33.753 1.00 6.45 1SG 948 ATOM 948 CG2 VAL 119 -8.100 5.898 33.447 1.00 6.45 1SG 949 ATOM 949 C VAL 119 -5.087 5.088 31.276 1.00 6.45 1SG 950 ATOM 950 O VAL 119 -3.874 5.306 31.535 1.00 6.45 1SG 951 ATOM 951 OXT VAL 119 -5.490 4.189 30.491 1.00 6.45 1SG 952 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.664 REMARK SCORE 0.664 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 7 PARENT 1V62_A ATOM 1 N MET 1 -2.901 7.308 18.876 1.00 73.04 1SG 2 ATOM 2 CA MET 1 -4.316 7.396 18.448 1.00 73.04 1SG 3 ATOM 3 CB MET 1 -5.242 7.159 19.656 1.00 73.04 1SG 4 ATOM 4 CG MET 1 -6.715 6.974 19.280 1.00 73.04 1SG 5 ATOM 5 SD MET 1 -7.805 6.554 20.674 1.00 73.04 1SG 6 ATOM 6 CE MET 1 -9.264 6.212 19.647 1.00 73.04 1SG 7 ATOM 7 C MET 1 -4.578 8.758 17.897 1.00 73.04 1SG 8 ATOM 8 O MET 1 -5.182 8.912 16.836 1.00 73.04 1SG 9 ATOM 9 N GLU 2 -4.102 9.786 18.619 1.00 72.53 1SG 10 ATOM 10 CA GLU 2 -4.293 11.151 18.233 1.00 72.53 1SG 11 ATOM 11 CB GLU 2 -3.794 12.150 19.293 1.00 72.53 1SG 12 ATOM 12 CG GLU 2 -4.013 13.614 18.898 1.00 72.53 1SG 13 ATOM 13 CD GLU 2 -3.483 14.499 20.019 1.00 72.53 1SG 14 ATOM 14 OE1 GLU 2 -2.956 13.940 21.018 1.00 72.53 1SG 15 ATOM 15 OE2 GLU 2 -3.596 15.747 19.889 1.00 72.53 1SG 16 ATOM 16 C GLU 2 -3.547 11.439 16.967 1.00 72.53 1SG 17 ATOM 17 O GLU 2 -4.036 12.183 16.118 1.00 72.53 1SG 18 ATOM 18 N ARG 3 -2.352 10.846 16.783 1.00181.40 1SG 19 ATOM 19 CA ARG 3 -1.558 11.257 15.661 1.00181.40 1SG 20 ATOM 20 CB ARG 3 -0.069 11.452 16.017 1.00181.40 1SG 21 ATOM 21 CG ARG 3 0.801 11.745 14.796 1.00181.40 1SG 22 ATOM 22 CD ARG 3 2.299 11.580 15.057 1.00181.40 1SG 23 ATOM 23 NE ARG 3 3.004 11.851 13.774 1.00181.40 1SG 24 ATOM 24 CZ ARG 3 4.364 11.750 13.707 1.00181.40 1SG 25 ATOM 25 NH1 ARG 3 5.076 11.388 14.814 1.00181.40 1SG 26 ATOM 26 NH2 ARG 3 5.009 12.010 12.533 1.00181.40 1SG 27 ATOM 27 C ARG 3 -1.727 10.345 14.467 1.00181.40 1SG 28 ATOM 28 O ARG 3 -2.366 10.801 13.521 1.00181.40 1SG 29 ATOM 29 N PRO 4 -1.259 9.115 14.363 1.00 66.27 1SG 30 ATOM 30 CA PRO 4 -1.492 8.444 13.112 1.00 66.27 1SG 31 ATOM 31 CD PRO 4 -0.015 8.653 14.972 1.00 66.27 1SG 32 ATOM 32 CB PRO 4 -0.543 7.251 13.071 1.00 66.27 1SG 33 ATOM 33 CG PRO 4 0.629 7.696 13.957 1.00 66.27 1SG 34 ATOM 34 C PRO 4 -2.920 8.069 12.964 1.00 66.27 1SG 35 ATOM 35 O PRO 4 -3.626 7.986 13.968 1.00 66.27 1SG 36 ATOM 36 N LYS 5 -3.367 7.850 11.715 1.00111.08 1SG 37 ATOM 37 CA LYS 5 -4.735 7.507 11.499 1.00111.08 1SG 38 ATOM 38 CB LYS 5 -5.368 8.227 10.311 1.00111.08 1SG 39 ATOM 39 CG LYS 5 -6.811 7.793 10.140 1.00111.08 1SG 40 ATOM 40 CD LYS 5 -7.661 8.743 9.314 1.00111.08 1SG 41 ATOM 41 CE LYS 5 -9.120 8.499 9.653 1.00111.08 1SG 42 ATOM 42 NZ LYS 5 -9.212 8.284 11.115 1.00111.08 1SG 43 ATOM 43 C LYS 5 -4.822 6.053 11.204 1.00111.08 1SG 44 ATOM 44 O LYS 5 -3.933 5.477 10.580 1.00111.08 1SG 45 ATOM 45 N LEU 6 -5.911 5.418 11.672 1.00 74.28 1SG 46 ATOM 46 CA LEU 6 -6.075 4.022 11.413 1.00 74.28 1SG 47 ATOM 47 CB LEU 6 -6.535 3.230 12.649 1.00 74.28 1SG 48 ATOM 48 CG LEU 6 -5.545 3.300 13.829 1.00 74.28 1SG 49 ATOM 49 CD2 LEU 6 -5.897 2.273 14.917 1.00 74.28 1SG 50 ATOM 50 CD1 LEU 6 -5.428 4.731 14.379 1.00 74.28 1SG 51 ATOM 51 C LEU 6 -7.146 3.901 10.379 1.00 74.28 1SG 52 ATOM 52 O LEU 6 -8.272 4.349 10.589 1.00 74.28 1SG 53 ATOM 53 N GLY 7 -6.823 3.296 9.220 1.00 33.41 1SG 54 ATOM 54 CA GLY 7 -7.834 3.141 8.214 1.00 33.41 1SG 55 ATOM 55 C GLY 7 -7.992 1.675 7.987 1.00 33.41 1SG 56 ATOM 56 O GLY 7 -7.291 1.081 7.170 1.00 33.41 1SG 57 ATOM 57 N LEU 8 -8.944 1.055 8.711 1.00 80.05 1SG 58 ATOM 58 CA LEU 8 -9.161 -0.354 8.568 1.00 80.05 1SG 59 ATOM 59 CB LEU 8 -9.788 -1.022 9.806 1.00 80.05 1SG 60 ATOM 60 CG LEU 8 -8.877 -1.029 11.046 1.00 80.05 1SG 61 ATOM 61 CD2 LEU 8 -9.458 -1.919 12.157 1.00 80.05 1SG 62 ATOM 62 CD1 LEU 8 -8.569 0.397 11.526 1.00 80.05 1SG 63 ATOM 63 C LEU 8 -10.096 -0.582 7.430 1.00 80.05 1SG 64 ATOM 64 O LEU 8 -10.972 0.236 7.156 1.00 80.05 1SG 65 ATOM 65 N ILE 9 -9.908 -1.708 6.715 1.00 40.31 1SG 66 ATOM 66 CA ILE 9 -10.811 -2.031 5.654 1.00 40.31 1SG 67 ATOM 67 CB ILE 9 -10.194 -1.935 4.289 1.00 40.31 1SG 68 ATOM 68 CG2 ILE 9 -11.186 -2.508 3.264 1.00 40.31 1SG 69 ATOM 69 CG1 ILE 9 -9.784 -0.480 4.007 1.00 40.31 1SG 70 ATOM 70 CD1 ILE 9 -8.963 -0.309 2.732 1.00 40.31 1SG 71 ATOM 71 C ILE 9 -11.268 -3.437 5.863 1.00 40.31 1SG 72 ATOM 72 O ILE 9 -10.459 -4.348 6.038 1.00 40.31 1SG 73 ATOM 73 N VAL 10 -12.596 -3.649 5.858 1.00 36.35 1SG 74 ATOM 74 CA VAL 10 -13.095 -4.977 6.038 1.00 36.35 1SG 75 ATOM 75 CB VAL 10 -14.567 -5.011 6.333 1.00 36.35 1SG 76 ATOM 76 CG1 VAL 10 -15.020 -6.476 6.437 1.00 36.35 1SG 77 ATOM 77 CG2 VAL 10 -14.828 -4.179 7.602 1.00 36.35 1SG 78 ATOM 78 C VAL 10 -12.862 -5.677 4.743 1.00 36.35 1SG 79 ATOM 79 O VAL 10 -13.142 -5.129 3.678 1.00 36.35 1SG 80 ATOM 80 N ARG 11 -12.323 -6.910 4.790 1.00107.78 1SG 81 ATOM 81 CA ARG 11 -12.080 -7.582 3.549 1.00107.78 1SG 82 ATOM 82 CB ARG 11 -10.609 -7.636 3.123 1.00107.78 1SG 83 ATOM 83 CG ARG 11 -9.666 -8.434 4.021 1.00107.78 1SG 84 ATOM 84 CD ARG 11 -8.237 -8.406 3.473 1.00107.78 1SG 85 ATOM 85 NE ARG 11 -7.436 -9.457 4.161 1.00107.78 1SG 86 ATOM 86 CZ ARG 11 -6.492 -10.138 3.451 1.00107.78 1SG 87 ATOM 87 NH1 ARG 11 -6.323 -9.874 2.121 1.00107.78 1SG 88 ATOM 88 NH2 ARG 11 -5.697 -11.065 4.059 1.00107.78 1SG 89 ATOM 89 C ARG 11 -12.549 -8.994 3.659 1.00107.78 1SG 90 ATOM 90 O ARG 11 -13.054 -9.422 4.697 1.00107.78 1SG 91 ATOM 91 N GLU 12 -12.398 -9.748 2.552 1.00 81.72 1SG 92 ATOM 92 CA GLU 12 -12.834 -11.110 2.494 1.00 81.72 1SG 93 ATOM 93 CB GLU 12 -12.879 -11.681 1.067 1.00 81.72 1SG 94 ATOM 94 CG GLU 12 -13.475 -13.087 0.999 1.00 81.72 1SG 95 ATOM 95 CD GLU 12 -13.556 -13.495 -0.464 1.00 81.72 1SG 96 ATOM 96 OE1 GLU 12 -13.180 -12.662 -1.332 1.00 81.72 1SG 97 ATOM 97 OE2 GLU 12 -13.999 -14.644 -0.733 1.00 81.72 1SG 98 ATOM 98 C GLU 12 -11.917 -11.954 3.317 1.00 81.72 1SG 99 ATOM 99 O GLU 12 -10.730 -11.676 3.485 1.00 81.72 1SG 100 ATOM 100 N PRO 13 -12.516 -12.975 3.862 1.00108.06 1SG 101 ATOM 101 CA PRO 13 -11.826 -13.907 4.712 1.00108.06 1SG 102 ATOM 102 CD PRO 13 -13.939 -12.928 4.145 1.00108.06 1SG 103 ATOM 103 CB PRO 13 -12.904 -14.584 5.562 1.00108.06 1SG 104 ATOM 104 CG PRO 13 -14.227 -14.262 4.846 1.00108.06 1SG 105 ATOM 105 C PRO 13 -10.983 -14.882 3.959 1.00108.06 1SG 106 ATOM 106 O PRO 13 -11.266 -15.162 2.795 1.00108.06 1SG 107 ATOM 107 N TYR 14 -9.913 -15.376 4.611 1.00364.74 1SG 108 ATOM 108 CA TYR 14 -9.044 -16.358 4.037 1.00364.74 1SG 109 ATOM 109 CB TYR 14 -8.027 -15.595 3.154 1.00364.74 1SG 110 ATOM 110 CG TYR 14 -7.431 -16.398 2.043 1.00364.74 1SG 111 ATOM 111 CD1 TYR 14 -8.166 -17.296 1.298 1.00364.74 1SG 112 ATOM 112 CD2 TYR 14 -6.130 -16.167 1.671 1.00364.74 1SG 113 ATOM 113 CE1 TYR 14 -7.587 -18.001 0.263 1.00364.74 1SG 114 ATOM 114 CE2 TYR 14 -5.554 -16.865 0.637 1.00364.74 1SG 115 ATOM 115 CZ TYR 14 -6.273 -17.784 -0.072 1.00364.74 1SG 116 ATOM 116 OH TYR 14 -5.652 -18.484 -1.128 1.00364.74 1SG 117 ATOM 117 C TYR 14 -8.481 -17.023 5.279 1.00364.74 1SG 118 ATOM 118 O TYR 14 -8.355 -16.354 6.302 1.00364.74 1SG 119 ATOM 119 N ALA 15 -8.150 -18.337 5.276 1.00271.42 1SG 120 ATOM 120 CA ALA 15 -7.770 -18.939 6.539 1.00271.42 1SG 121 ATOM 121 CB ALA 15 -8.637 -20.151 6.917 1.00271.42 1SG 122 ATOM 122 C ALA 15 -6.341 -19.398 6.521 1.00271.42 1SG 123 ATOM 123 O ALA 15 -5.848 -19.863 5.494 1.00271.42 1SG 124 ATOM 124 N SER 16 -5.641 -19.306 7.684 1.00201.98 1SG 125 ATOM 125 CA SER 16 -4.238 -19.607 7.634 1.00201.98 1SG 126 ATOM 126 CB SER 16 -3.394 -18.321 7.498 1.00201.98 1SG 127 ATOM 127 OG SER 16 -2.007 -18.614 7.453 1.00201.98 1SG 128 ATOM 128 C SER 16 -3.686 -20.382 8.817 1.00201.98 1SG 129 ATOM 129 O SER 16 -3.816 -19.983 9.972 1.00201.98 1SG 130 ATOM 130 N LEU 17 -3.062 -21.543 8.494 1.00283.62 1SG 131 ATOM 131 CA LEU 17 -2.197 -22.442 9.218 1.00283.62 1SG 132 ATOM 132 CB LEU 17 -2.936 -23.642 9.831 1.00283.62 1SG 133 ATOM 133 CG LEU 17 -2.007 -24.658 10.527 1.00283.62 1SG 134 ATOM 134 CD2 LEU 17 -2.679 -26.033 10.665 1.00283.62 1SG 135 ATOM 135 CD1 LEU 17 -1.456 -24.113 11.854 1.00283.62 1SG 136 ATOM 136 C LEU 17 -1.348 -23.052 8.122 1.00283.62 1SG 137 ATOM 137 O LEU 17 -1.714 -24.125 7.646 1.00283.62 1SG 138 ATOM 138 N ILE 18 -0.188 -22.442 7.742 1.00208.35 1SG 139 ATOM 139 CA ILE 18 0.601 -22.818 6.574 1.00208.35 1SG 140 ATOM 140 CB ILE 18 1.566 -23.951 6.886 1.00208.35 1SG 141 ATOM 141 CG2 ILE 18 0.881 -24.990 7.783 1.00208.35 1SG 142 ATOM 142 CG1 ILE 18 2.255 -24.505 5.630 1.00208.35 1SG 143 ATOM 143 CD1 ILE 18 3.393 -25.476 5.954 1.00208.35 1SG 144 ATOM 144 C ILE 18 -0.385 -23.109 5.475 1.00208.35 1SG 145 ATOM 145 O ILE 18 -0.822 -24.244 5.288 1.00208.35 1SG 146 ATOM 146 N VAL 19 -0.666 -22.052 4.648 1.00177.75 1SG 147 ATOM 147 CA VAL 19 -1.917 -22.019 3.920 1.00177.75 1SG 148 ATOM 148 CB VAL 19 -2.966 -21.866 4.948 1.00177.75 1SG 149 ATOM 149 CG1 VAL 19 -3.324 -23.200 5.624 1.00177.75 1SG 150 ATOM 150 CG2 VAL 19 -2.249 -20.931 5.950 1.00177.75 1SG 151 ATOM 151 C VAL 19 -2.093 -20.781 3.033 1.00177.75 1SG 152 ATOM 152 O VAL 19 -1.559 -20.696 1.929 1.00177.75 1SG 153 ATOM 153 N ASP 20 -2.972 -19.863 3.552 1.00176.80 1SG 154 ATOM 154 CA ASP 20 -3.629 -18.610 3.306 1.00176.80 1SG 155 ATOM 155 CB ASP 20 -3.949 -17.903 4.624 1.00176.80 1SG 156 ATOM 156 CG ASP 20 -5.349 -17.387 4.442 1.00176.80 1SG 157 ATOM 157 OD1 ASP 20 -6.085 -18.083 3.698 1.00176.80 1SG 158 ATOM 158 OD2 ASP 20 -5.708 -16.343 5.045 1.00176.80 1SG 159 ATOM 159 C ASP 20 -2.865 -17.658 2.455 1.00176.80 1SG 160 ATOM 160 O ASP 20 -1.818 -17.978 1.891 1.00176.80 1SG 161 ATOM 161 N GLY 21 -3.410 -16.419 2.371 1.00 76.70 1SG 162 ATOM 162 CA GLY 21 -2.898 -15.510 1.398 1.00 76.70 1SG 163 ATOM 163 C GLY 21 -3.419 -14.101 1.523 1.00 76.70 1SG 164 ATOM 164 O GLY 21 -3.581 -13.549 2.611 1.00 76.70 1SG 165 ATOM 165 N ARG 22 -3.727 -13.531 0.333 1.00185.37 1SG 166 ATOM 166 CA ARG 22 -3.851 -12.129 0.021 1.00185.37 1SG 167 ATOM 167 CB ARG 22 -2.891 -11.909 -1.158 1.00185.37 1SG 168 ATOM 168 CG ARG 22 -2.757 -10.541 -1.805 1.00185.37 1SG 169 ATOM 169 CD ARG 22 -2.439 -10.715 -3.287 1.00185.37 1SG 170 ATOM 170 NE ARG 22 -2.333 -9.373 -3.909 1.00185.37 1SG 171 ATOM 171 CZ ARG 22 -1.617 -9.267 -5.063 1.00185.37 1SG 172 ATOM 172 NH1 ARG 22 -1.048 -10.384 -5.604 1.00185.37 1SG 173 ATOM 173 NH2 ARG 22 -1.460 -8.055 -5.669 1.00185.37 1SG 174 ATOM 174 C ARG 22 -5.227 -11.643 -0.393 1.00185.37 1SG 175 ATOM 175 O ARG 22 -6.202 -12.391 -0.457 1.00185.37 1SG 176 ATOM 176 N LYS 23 -5.278 -10.298 -0.617 1.00229.86 1SG 177 ATOM 177 CA LYS 23 -6.304 -9.428 -1.149 1.00229.86 1SG 178 ATOM 178 CB LYS 23 -6.659 -8.234 -0.236 1.00229.86 1SG 179 ATOM 179 CG LYS 23 -7.891 -7.438 -0.696 1.00229.86 1SG 180 ATOM 180 CD LYS 23 -8.069 -6.086 0.005 1.00229.86 1SG 181 ATOM 181 CE LYS 23 -8.981 -6.098 1.225 1.00229.86 1SG 182 ATOM 182 NZ LYS 23 -9.067 -4.737 1.803 1.00229.86 1SG 183 ATOM 183 C LYS 23 -5.636 -8.805 -2.357 1.00229.86 1SG 184 ATOM 184 O LYS 23 -4.937 -9.497 -3.096 1.00229.86 1SG 185 ATOM 185 N VAL 24 -5.853 -7.493 -2.625 1.00 73.72 1SG 186 ATOM 186 CA VAL 24 -5.194 -6.837 -3.729 1.00 73.72 1SG 187 ATOM 187 CB VAL 24 -6.056 -6.755 -4.955 1.00 73.72 1SG 188 ATOM 188 CG1 VAL 24 -5.317 -5.935 -6.025 1.00 73.72 1SG 189 ATOM 189 CG2 VAL 24 -6.412 -8.184 -5.398 1.00 73.72 1SG 190 ATOM 190 C VAL 24 -4.850 -5.419 -3.342 1.00 73.72 1SG 191 ATOM 191 O VAL 24 -5.678 -4.696 -2.791 1.00 73.72 1SG 192 ATOM 192 N TRP 25 -3.599 -4.981 -3.620 1.00191.91 1SG 193 ATOM 193 CA TRP 25 -3.191 -3.627 -3.341 1.00191.91 1SG 194 ATOM 194 CB TRP 25 -3.064 -3.307 -1.842 1.00191.91 1SG 195 ATOM 195 CG TRP 25 -2.485 -1.943 -1.546 1.00191.91 1SG 196 ATOM 196 CD2 TRP 25 -3.232 -0.740 -1.305 1.00191.91 1SG 197 ATOM 197 CD1 TRP 25 -1.172 -1.606 -1.420 1.00191.91 1SG 198 ATOM 198 NE1 TRP 25 -1.050 -0.279 -1.094 1.00191.91 1SG 199 ATOM 199 CE2 TRP 25 -2.310 0.268 -1.023 1.00191.91 1SG 200 ATOM 200 CE3 TRP 25 -4.572 -0.495 -1.309 1.00191.91 1SG 201 ATOM 201 CZ2 TRP 25 -2.713 1.538 -0.737 1.00191.91 1SG 202 ATOM 202 CZ3 TRP 25 -4.963 0.794 -1.028 1.00191.91 1SG 203 ATOM 203 CH2 TRP 25 -4.061 1.795 -0.747 1.00191.91 1SG 204 ATOM 204 C TRP 25 -1.850 -3.390 -3.971 1.00191.91 1SG 205 ATOM 205 O TRP 25 -1.128 -4.335 -4.284 1.00191.91 1SG 206 ATOM 206 N GLU 26 -1.478 -2.107 -4.184 1.00 85.98 1SG 207 ATOM 207 CA GLU 26 -0.194 -1.828 -4.773 1.00 85.98 1SG 208 ATOM 208 CB GLU 26 -0.280 -1.336 -6.228 1.00 85.98 1SG 209 ATOM 209 CG GLU 26 1.091 -1.114 -6.868 1.00 85.98 1SG 210 ATOM 210 CD GLU 26 0.885 -0.722 -8.324 1.00 85.98 1SG 211 ATOM 211 OE1 GLU 26 -0.294 -0.642 -8.761 1.00 85.98 1SG 212 ATOM 212 OE2 GLU 26 1.911 -0.503 -9.022 1.00 85.98 1SG 213 ATOM 213 C GLU 26 0.494 -0.757 -3.979 1.00 85.98 1SG 214 ATOM 214 O GLU 26 -0.132 0.190 -3.504 1.00 85.98 1SG 215 ATOM 215 N ILE 27 1.829 -0.892 -3.818 1.00117.58 1SG 216 ATOM 216 CA ILE 27 2.586 0.063 -3.060 1.00117.58 1SG 217 ATOM 217 CB ILE 27 2.987 -0.442 -1.715 1.00117.58 1SG 218 ATOM 218 CG2 ILE 27 3.750 -1.766 -1.889 1.00117.58 1SG 219 ATOM 219 CG1 ILE 27 3.779 0.663 -1.027 1.00117.58 1SG 220 ATOM 220 CD1 ILE 27 3.518 0.790 0.461 1.00117.58 1SG 221 ATOM 221 C ILE 27 3.796 0.514 -3.813 1.00117.58 1SG 222 ATOM 222 O ILE 27 4.369 -0.231 -4.606 1.00117.58 1SG 223 ATOM 223 N ARG 28 4.184 1.791 -3.595 1.00139.42 1SG 224 ATOM 224 CA ARG 28 5.338 2.365 -4.229 1.00139.42 1SG 225 ATOM 225 CB ARG 28 4.994 3.508 -5.204 1.00139.42 1SG 226 ATOM 226 CG ARG 28 6.151 3.993 -6.079 1.00139.42 1SG 227 ATOM 227 CD ARG 28 5.717 5.042 -7.109 1.00139.42 1SG 228 ATOM 228 NE ARG 28 6.916 5.426 -7.909 1.00139.42 1SG 229 ATOM 229 CZ ARG 28 6.766 6.113 -9.080 1.00139.42 1SG 230 ATOM 230 NH1 ARG 28 5.519 6.446 -9.525 1.00139.42 1SG 231 ATOM 231 NH2 ARG 28 7.866 6.468 -9.807 1.00139.42 1SG 232 ATOM 232 C ARG 28 6.156 2.989 -3.154 1.00139.42 1SG 233 ATOM 233 O ARG 28 5.625 3.599 -2.230 1.00139.42 1SG 234 ATOM 234 N ARG 29 7.488 2.855 -3.242 1.00110.32 1SG 235 ATOM 235 CA ARG 29 8.300 3.467 -2.241 1.00110.32 1SG 236 ATOM 236 CB ARG 29 9.299 2.519 -1.581 1.00110.32 1SG 237 ATOM 237 CG ARG 29 10.131 3.270 -0.556 1.00110.32 1SG 238 ATOM 238 CD ARG 29 10.986 2.390 0.339 1.00110.32 1SG 239 ATOM 239 NE ARG 29 11.886 3.329 1.053 1.00110.32 1SG 240 ATOM 240 CZ ARG 29 13.206 3.018 1.158 1.00110.32 1SG 241 ATOM 241 NH1 ARG 29 13.632 1.789 0.740 1.00110.32 1SG 242 ATOM 242 NH2 ARG 29 14.085 3.947 1.637 1.00110.32 1SG 243 ATOM 243 C ARG 29 9.065 4.557 -2.906 1.00110.32 1SG 244 ATOM 244 O ARG 29 9.357 4.486 -4.098 1.00110.32 1SG 245 ATOM 245 N ARG 30 9.386 5.621 -2.146 1.00 92.41 1SG 246 ATOM 246 CA ARG 30 10.099 6.711 -2.738 1.00 92.41 1SG 247 ATOM 247 CB ARG 30 9.217 7.941 -3.006 1.00 92.41 1SG 248 ATOM 248 CG ARG 30 9.965 9.071 -3.713 1.00 92.41 1SG 249 ATOM 249 CD ARG 30 9.117 10.312 -3.982 1.00 92.41 1SG 250 ATOM 250 NE ARG 30 9.998 11.296 -4.669 1.00 92.41 1SG 251 ATOM 251 CZ ARG 30 9.468 12.441 -5.188 1.00 92.41 1SG 252 ATOM 252 NH1 ARG 30 8.131 12.685 -5.073 1.00 92.41 1SG 253 ATOM 253 NH2 ARG 30 10.276 13.340 -5.821 1.00 92.41 1SG 254 ATOM 254 C ARG 30 11.180 7.133 -1.796 1.00 92.41 1SG 255 ATOM 255 O ARG 30 11.201 6.749 -0.627 1.00 92.41 1SG 256 ATOM 256 N LYS 31 12.136 7.920 -2.323 1.00 89.61 1SG 257 ATOM 257 CA LYS 31 13.229 8.435 -1.559 1.00 89.61 1SG 258 ATOM 258 CB LYS 31 14.537 8.514 -2.362 1.00 89.61 1SG 259 ATOM 259 CG LYS 31 15.724 9.063 -1.569 1.00 89.61 1SG 260 ATOM 260 CD LYS 31 17.049 8.993 -2.329 1.00 89.61 1SG 261 ATOM 261 CE LYS 31 18.206 9.692 -1.612 1.00 89.61 1SG 262 ATOM 262 NZ LYS 31 19.440 9.582 -2.421 1.00 89.61 1SG 263 ATOM 263 C LYS 31 12.896 9.836 -1.164 1.00 89.61 1SG 264 ATOM 264 O LYS 31 11.982 10.456 -1.705 1.00 89.61 1SG 265 ATOM 265 N THR 32 13.633 10.344 -0.161 1.00222.24 1SG 266 ATOM 266 CA THR 32 13.530 11.701 0.276 1.00222.24 1SG 267 ATOM 267 CB THR 32 12.704 11.898 1.534 1.00222.24 1SG 268 ATOM 268 OG1 THR 32 12.693 13.271 1.895 1.00222.24 1SG 269 ATOM 269 CG2 THR 32 13.168 11.011 2.702 1.00222.24 1SG 270 ATOM 270 C THR 32 14.942 12.167 0.423 1.00222.24 1SG 271 ATOM 271 O THR 32 15.609 12.450 -0.571 1.00222.24 1SG 272 ATOM 272 N ARG 33 15.447 12.267 1.659 1.00194.14 1SG 273 ATOM 273 CA ARG 33 16.806 12.654 1.848 1.00194.14 1SG 274 ATOM 274 CB ARG 33 16.950 13.875 2.769 1.00194.14 1SG 275 ATOM 275 CG ARG 33 16.278 15.110 2.158 1.00194.14 1SG 276 ATOM 276 CD ARG 33 16.310 16.361 3.036 1.00194.14 1SG 277 ATOM 277 NE ARG 33 17.339 17.289 2.486 1.00194.14 1SG 278 ATOM 278 CZ ARG 33 17.010 18.149 1.477 1.00194.14 1SG 279 ATOM 279 NH1 ARG 33 15.762 18.108 0.924 1.00194.14 1SG 280 ATOM 280 NH2 ARG 33 17.927 19.051 1.021 1.00194.14 1SG 281 ATOM 281 C ARG 33 17.476 11.465 2.454 1.00194.14 1SG 282 ATOM 282 O ARG 33 17.780 10.497 1.758 1.00194.14 1SG 283 ATOM 283 N HIS 34 17.742 11.510 3.770 1.00 48.41 1SG 284 ATOM 284 CA HIS 34 18.399 10.412 4.415 1.00 48.41 1SG 285 ATOM 285 ND1 HIS 34 19.493 13.093 6.047 1.00 48.41 1SG 286 ATOM 286 CG HIS 34 19.730 11.738 6.113 1.00 48.41 1SG 287 ATOM 287 CB HIS 34 18.683 10.684 5.902 1.00 48.41 1SG 288 ATOM 288 NE2 HIS 34 21.657 12.847 6.500 1.00 48.41 1SG 289 ATOM 289 CD2 HIS 34 21.056 11.606 6.390 1.00 48.41 1SG 290 ATOM 290 CE1 HIS 34 20.679 13.709 6.286 1.00 48.41 1SG 291 ATOM 291 C HIS 34 17.550 9.176 4.341 1.00 48.41 1SG 292 ATOM 292 O HIS 34 18.027 8.110 3.962 1.00 48.41 1SG 293 ATOM 293 N ARG 35 16.247 9.271 4.650 1.00 69.85 1SG 294 ATOM 294 CA ARG 35 15.487 8.055 4.714 1.00 69.85 1SG 295 ATOM 295 CB ARG 35 14.640 7.964 5.996 1.00 69.85 1SG 296 ATOM 296 CG ARG 35 15.516 7.769 7.242 1.00 69.85 1SG 297 ATOM 297 CD ARG 35 14.763 7.812 8.577 1.00 69.85 1SG 298 ATOM 298 NE ARG 35 15.650 7.218 9.621 1.00 69.85 1SG 299 ATOM 299 CZ ARG 35 15.264 6.095 10.299 1.00 69.85 1SG 300 ATOM 300 NH1 ARG 35 14.033 5.547 10.085 1.00 69.85 1SG 301 ATOM 301 NH2 ARG 35 16.114 5.514 11.195 1.00 69.85 1SG 302 ATOM 302 C ARG 35 14.610 7.946 3.510 1.00 69.85 1SG 303 ATOM 303 O ARG 35 14.701 8.754 2.589 1.00 69.85 1SG 304 ATOM 304 N GLY 36 13.784 6.881 3.450 1.00 32.48 1SG 305 ATOM 305 CA GLY 36 12.911 6.722 2.325 1.00 32.48 1SG 306 ATOM 306 C GLY 36 11.566 6.334 2.846 1.00 32.48 1SG 307 ATOM 307 O GLY 36 11.426 5.442 3.682 1.00 32.48 1SG 308 ATOM 308 N PRO 37 10.578 7.032 2.364 1.00 83.55 1SG 309 ATOM 309 CA PRO 37 9.228 6.746 2.758 1.00 83.55 1SG 310 ATOM 310 CD PRO 37 10.766 8.446 2.088 1.00 83.55 1SG 311 ATOM 311 CB PRO 37 8.464 8.068 2.695 1.00 83.55 1SG 312 ATOM 312 CG PRO 37 9.350 8.984 1.838 1.00 83.55 1SG 313 ATOM 313 C PRO 37 8.613 5.702 1.894 1.00 83.55 1SG 314 ATOM 314 O PRO 37 9.120 5.422 0.811 1.00 83.55 1SG 315 ATOM 315 N LEU 38 7.502 5.120 2.366 1.00186.30 1SG 316 ATOM 316 CA LEU 38 6.783 4.130 1.631 1.00186.30 1SG 317 ATOM 317 CB LEU 38 6.669 2.871 2.477 1.00186.30 1SG 318 ATOM 318 CG LEU 38 5.927 1.698 1.867 1.00186.30 1SG 319 ATOM 319 CD2 LEU 38 5.713 0.657 2.961 1.00186.30 1SG 320 ATOM 320 CD1 LEU 38 6.626 1.141 0.620 1.00186.30 1SG 321 ATOM 321 C LEU 38 5.412 4.716 1.389 1.00186.30 1SG 322 ATOM 322 O LEU 38 4.826 5.307 2.296 1.00186.30 1SG 323 ATOM 323 N GLY 39 4.856 4.582 0.161 1.00 56.61 1SG 324 ATOM 324 CA GLY 39 3.581 5.202 -0.128 1.00 56.61 1SG 325 ATOM 325 C GLY 39 2.778 4.334 -1.057 1.00 56.61 1SG 326 ATOM 326 O GLY 39 3.227 3.274 -1.470 1.00 56.61 1SG 327 ATOM 327 N ILE 40 1.568 4.783 -1.456 1.00 64.80 1SG 328 ATOM 328 CA ILE 40 0.683 3.950 -2.230 1.00 64.80 1SG 329 ATOM 329 CB ILE 40 -0.746 4.166 -1.826 1.00 64.80 1SG 330 ATOM 330 CG2 ILE 40 -1.650 3.369 -2.780 1.00 64.80 1SG 331 ATOM 331 CG1 ILE 40 -0.934 3.847 -0.334 1.00 64.80 1SG 332 ATOM 332 CD1 ILE 40 -2.283 4.303 0.221 1.00 64.80 1SG 333 ATOM 333 C ILE 40 0.764 4.336 -3.679 1.00 64.80 1SG 334 ATOM 334 O ILE 40 0.459 5.471 -4.043 1.00 64.80 1SG 335 ATOM 335 N VAL 41 1.191 3.392 -4.553 1.00 57.19 1SG 336 ATOM 336 CA VAL 41 1.258 3.682 -5.962 1.00 57.19 1SG 337 ATOM 337 CB VAL 41 1.615 2.492 -6.814 1.00 57.19 1SG 338 ATOM 338 CG1 VAL 41 1.650 2.956 -8.280 1.00 57.19 1SG 339 ATOM 339 CG2 VAL 41 2.885 1.804 -6.310 1.00 57.19 1SG 340 ATOM 340 C VAL 41 -0.129 3.947 -6.416 1.00 57.19 1SG 341 ATOM 341 O VAL 41 -0.483 5.028 -6.888 1.00 57.19 1SG 342 ATOM 342 N SER 42 -0.944 2.894 -6.243 1.00101.62 1SG 343 ATOM 343 CA SER 42 -2.316 2.825 -6.609 1.00101.62 1SG 344 ATOM 344 CB SER 42 -2.531 2.549 -8.110 1.00101.62 1SG 345 ATOM 345 OG SER 42 -3.917 2.468 -8.409 1.00101.62 1SG 346 ATOM 346 C SER 42 -2.774 1.630 -5.859 1.00101.62 1SG 347 ATOM 347 O SER 42 -1.960 0.843 -5.379 1.00101.62 1SG 348 ATOM 348 N GLY 43 -4.087 1.438 -5.716 1.00137.03 1SG 349 ATOM 349 CA GLY 43 -4.468 0.278 -4.979 1.00137.03 1SG 350 ATOM 350 C GLY 43 -5.356 -0.488 -5.868 1.00137.03 1SG 351 ATOM 351 O GLY 43 -5.607 -0.071 -6.998 1.00137.03 1SG 352 ATOM 352 N GLY 44 -5.768 -1.685 -5.416 1.00 67.71 1SG 353 ATOM 353 CA GLY 44 -6.792 -2.316 -6.168 1.00 67.71 1SG 354 ATOM 354 C GLY 44 -7.983 -1.474 -5.860 1.00 67.71 1SG 355 ATOM 355 O GLY 44 -8.758 -1.779 -4.957 1.00 67.71 1SG 356 ATOM 356 N ARG 45 -8.159 -0.391 -6.633 1.00176.59 1SG 357 ATOM 357 CA ARG 45 -9.258 0.504 -6.484 1.00176.59 1SG 358 ATOM 358 CB ARG 45 -10.560 -0.230 -6.844 1.00176.59 1SG 359 ATOM 359 CG ARG 45 -10.358 -1.250 -7.983 1.00176.59 1SG 360 ATOM 360 CD ARG 45 -9.431 -0.807 -9.126 1.00176.59 1SG 361 ATOM 361 NE ARG 45 -9.159 -2.001 -9.987 1.00176.59 1SG 362 ATOM 362 CZ ARG 45 -7.940 -2.621 -9.959 1.00176.59 1SG 363 ATOM 363 NH1 ARG 45 -6.927 -2.110 -9.199 1.00176.59 1SG 364 ATOM 364 NH2 ARG 45 -7.725 -3.748 -10.700 1.00176.59 1SG 365 ATOM 365 C ARG 45 -9.337 1.059 -5.068 1.00176.59 1SG 366 ATOM 366 O ARG 45 -10.368 0.911 -4.414 1.00176.59 1SG 367 ATOM 367 N LEU 46 -8.247 1.691 -4.544 1.00182.86 1SG 368 ATOM 368 CA LEU 46 -8.241 2.350 -3.243 1.00182.86 1SG 369 ATOM 369 CB LEU 46 -7.591 1.473 -2.151 1.00182.86 1SG 370 ATOM 370 CG LEU 46 -8.008 1.761 -0.681 1.00182.86 1SG 371 ATOM 371 CD2 LEU 46 -7.457 3.072 -0.104 1.00182.86 1SG 372 ATOM 372 CD1 LEU 46 -7.617 0.584 0.226 1.00182.86 1SG 373 ATOM 373 C LEU 46 -7.549 3.660 -3.533 1.00182.86 1SG 374 ATOM 374 O LEU 46 -7.596 4.121 -4.673 1.00182.86 1SG 375 ATOM 375 N ILE 47 -6.907 4.320 -2.550 1.00 95.04 1SG 376 ATOM 376 CA ILE 47 -6.333 5.612 -2.817 1.00 95.04 1SG 377 ATOM 377 CB ILE 47 -6.748 6.661 -1.829 1.00 95.04 1SG 378 ATOM 378 CG2 ILE 47 -6.143 6.291 -0.466 1.00 95.04 1SG 379 ATOM 379 CG1 ILE 47 -6.359 8.060 -2.332 1.00 95.04 1SG 380 ATOM 380 CD1 ILE 47 -7.012 9.192 -1.540 1.00 95.04 1SG 381 ATOM 381 C ILE 47 -4.843 5.516 -2.768 1.00 95.04 1SG 382 ATOM 382 O ILE 47 -4.274 4.790 -1.954 1.00 95.04 1SG 383 ATOM 383 N GLY 48 -4.164 6.251 -3.673 1.00 51.89 1SG 384 ATOM 384 CA GLY 48 -2.734 6.197 -3.689 1.00 51.89 1SG 385 ATOM 385 C GLY 48 -2.203 7.591 -3.596 1.00 51.89 1SG 386 ATOM 386 O GLY 48 -2.762 8.518 -4.179 1.00 51.89 1SG 387 ATOM 387 N GLN 49 -1.097 7.733 -2.832 1.00154.12 1SG 388 ATOM 388 CA GLN 49 -0.337 8.931 -2.584 1.00154.12 1SG 389 ATOM 389 CB GLN 49 -0.896 10.238 -3.177 1.00154.12 1SG 390 ATOM 390 CG GLN 49 -0.023 11.454 -2.847 1.00154.12 1SG 391 ATOM 391 CD GLN 49 -0.561 12.660 -3.602 1.00154.12 1SG 392 ATOM 392 OE1 GLN 49 -0.575 13.778 -3.090 1.00154.12 1SG 393 ATOM 393 NE2 GLN 49 -0.995 12.432 -4.870 1.00154.12 1SG 394 ATOM 394 C GLN 49 -0.312 9.101 -1.104 1.00154.12 1SG 395 ATOM 395 O GLN 49 0.417 9.932 -0.567 1.00154.12 1SG 396 ATOM 396 N ALA 50 -1.117 8.284 -0.406 1.00 31.44 1SG 397 ATOM 397 CA ALA 50 -1.202 8.379 1.018 1.00 31.44 1SG 398 ATOM 398 CB ALA 50 -2.340 7.521 1.594 1.00 31.44 1SG 399 ATOM 399 C ALA 50 0.100 7.918 1.594 1.00 31.44 1SG 400 ATOM 400 O ALA 50 0.766 7.048 1.035 1.00 31.44 1SG 401 ATOM 401 N ASP 51 0.509 8.522 2.729 1.00 56.67 1SG 402 ATOM 402 CA ASP 51 1.752 8.161 3.348 1.00 56.67 1SG 403 ATOM 403 CB ASP 51 2.461 9.346 4.028 1.00 56.67 1SG 404 ATOM 404 CG ASP 51 2.902 10.334 2.958 1.00 56.67 1SG 405 ATOM 405 OD1 ASP 51 2.748 10.009 1.750 1.00 56.67 1SG 406 ATOM 406 OD2 ASP 51 3.394 11.431 3.335 1.00 56.67 1SG 407 ATOM 407 C ASP 51 1.437 7.183 4.429 1.00 56.67 1SG 408 ATOM 408 O ASP 51 0.776 7.528 5.407 1.00 56.67 1SG 409 ATOM 409 N LEU 52 1.918 5.930 4.300 1.00128.51 1SG 410 ATOM 410 CA LEU 52 1.564 4.990 5.321 1.00128.51 1SG 411 ATOM 411 CB LEU 52 1.626 3.512 4.920 1.00128.51 1SG 412 ATOM 412 CG LEU 52 1.131 2.624 6.077 1.00128.51 1SG 413 ATOM 413 CD2 LEU 52 1.783 1.240 6.078 1.00128.51 1SG 414 ATOM 414 CD1 LEU 52 -0.404 2.601 6.141 1.00128.51 1SG 415 ATOM 415 C LEU 52 2.547 5.111 6.437 1.00128.51 1SG 416 ATOM 416 O LEU 52 3.748 4.924 6.246 1.00128.51 1SG 417 ATOM 417 N VAL 53 2.047 5.464 7.636 1.00 28.80 1SG 418 ATOM 418 CA VAL 53 2.883 5.546 8.796 1.00 28.80 1SG 419 ATOM 419 CB VAL 53 2.170 6.136 9.977 1.00 28.80 1SG 420 ATOM 420 CG1 VAL 53 3.115 6.093 11.190 1.00 28.80 1SG 421 ATOM 421 CG2 VAL 53 1.695 7.551 9.606 1.00 28.80 1SG 422 ATOM 422 C VAL 53 3.314 4.164 9.172 1.00 28.80 1SG 423 ATOM 423 O VAL 53 4.496 3.918 9.408 1.00 28.80 1SG 424 ATOM 424 N GLY 54 2.358 3.211 9.214 1.00 20.76 1SG 425 ATOM 425 CA GLY 54 2.706 1.875 9.607 1.00 20.76 1SG 426 ATOM 426 C GLY 54 1.503 1.007 9.430 1.00 20.76 1SG 427 ATOM 427 O GLY 54 0.402 1.492 9.174 1.00 20.76 1SG 428 ATOM 428 N VAL 55 1.694 -0.321 9.568 1.00126.01 1SG 429 ATOM 429 CA VAL 55 0.597 -1.221 9.373 1.00126.01 1SG 430 ATOM 430 CB VAL 55 0.591 -1.822 7.999 1.00126.01 1SG 431 ATOM 431 CG1 VAL 55 1.987 -2.401 7.719 1.00126.01 1SG 432 ATOM 432 CG2 VAL 55 -0.513 -2.887 7.939 1.00126.01 1SG 433 ATOM 433 C VAL 55 0.675 -2.355 10.349 1.00126.01 1SG 434 ATOM 434 O VAL 55 1.753 -2.783 10.760 1.00126.01 1SG 435 ATOM 435 N GLU 56 -0.516 -2.842 10.753 1.00260.99 1SG 436 ATOM 436 CA GLU 56 -0.709 -4.017 11.551 1.00260.99 1SG 437 ATOM 437 CB GLU 56 -0.704 -5.321 10.737 1.00260.99 1SG 438 ATOM 438 CG GLU 56 -1.156 -6.536 11.548 1.00260.99 1SG 439 ATOM 439 CD GLU 56 -1.158 -7.744 10.623 1.00260.99 1SG 440 ATOM 440 OE1 GLU 56 -0.598 -7.630 9.500 1.00260.99 1SG 441 ATOM 441 OE2 GLU 56 -1.723 -8.796 11.025 1.00260.99 1SG 442 ATOM 442 C GLU 56 0.293 -4.140 12.648 1.00260.99 1SG 443 ATOM 443 O GLU 56 1.164 -5.008 12.606 1.00260.99 1SG 444 ATOM 444 N GLY 57 0.207 -3.265 13.663 1.00 98.99 1SG 445 ATOM 445 CA GLY 57 1.089 -3.421 14.778 1.00 98.99 1SG 446 ATOM 446 C GLY 57 2.373 -2.760 14.440 1.00 98.99 1SG 447 ATOM 447 O GLY 57 2.499 -2.101 13.410 1.00 98.99 1SG 448 ATOM 448 N PRO 58 3.338 -2.908 15.300 1.00171.79 1SG 449 ATOM 449 CA PRO 58 4.566 -2.252 15.010 1.00171.79 1SG 450 ATOM 450 CD PRO 58 3.100 -3.010 16.730 1.00171.79 1SG 451 ATOM 451 CB PRO 58 5.396 -2.321 16.288 1.00171.79 1SG 452 ATOM 452 CG PRO 58 4.324 -2.351 17.394 1.00171.79 1SG 453 ATOM 453 C PRO 58 5.234 -2.784 13.795 1.00171.79 1SG 454 ATOM 454 O PRO 58 5.925 -3.798 13.876 1.00171.79 1SG 455 ATOM 455 N PHE 59 5.033 -2.101 12.658 1.00124.43 1SG 456 ATOM 456 CA PHE 59 5.801 -2.367 11.489 1.00124.43 1SG 457 ATOM 457 CB PHE 59 5.094 -3.177 10.389 1.00124.43 1SG 458 ATOM 458 CG PHE 59 6.148 -3.450 9.369 1.00124.43 1SG 459 ATOM 459 CD1 PHE 59 7.010 -4.513 9.524 1.00124.43 1SG 460 ATOM 460 CD2 PHE 59 6.286 -2.639 8.266 1.00124.43 1SG 461 ATOM 461 CE1 PHE 59 7.988 -4.768 8.591 1.00124.43 1SG 462 ATOM 462 CE2 PHE 59 7.263 -2.889 7.330 1.00124.43 1SG 463 ATOM 463 CZ PHE 59 8.116 -3.953 7.492 1.00124.43 1SG 464 ATOM 464 C PHE 59 6.024 -0.997 10.973 1.00124.43 1SG 465 ATOM 465 O PHE 59 5.313 -0.529 10.085 1.00124.43 1SG 466 ATOM 466 N SER 60 7.034 -0.314 11.536 1.00 44.05 1SG 467 ATOM 467 CA SER 60 7.241 1.046 11.164 1.00 44.05 1SG 468 ATOM 468 CB SER 60 8.193 1.805 12.101 1.00 44.05 1SG 469 ATOM 469 OG SER 60 7.620 1.891 13.397 1.00 44.05 1SG 470 ATOM 470 C SER 60 7.811 1.052 9.798 1.00 44.05 1SG 471 ATOM 471 O SER 60 8.547 0.147 9.408 1.00 44.05 1SG 472 ATOM 472 N VAL 61 7.455 2.082 9.016 1.00115.48 1SG 473 ATOM 473 CA VAL 61 7.977 2.112 7.693 1.00115.48 1SG 474 ATOM 474 CB VAL 61 6.869 2.404 6.716 1.00115.48 1SG 475 ATOM 475 CG1 VAL 61 7.409 2.401 5.281 1.00115.48 1SG 476 ATOM 476 CG2 VAL 61 5.731 1.399 6.960 1.00115.48 1SG 477 ATOM 477 C VAL 61 8.963 3.244 7.690 1.00115.48 1SG 478 ATOM 478 O VAL 61 9.295 3.809 6.648 1.00115.48 1SG 479 ATOM 479 N GLU 62 9.510 3.591 8.874 1.00101.02 1SG 480 ATOM 480 CA GLU 62 10.362 4.741 8.860 1.00101.02 1SG 481 ATOM 481 CB GLU 62 10.807 5.177 10.264 1.00101.02 1SG 482 ATOM 482 CG GLU 62 11.373 6.596 10.288 1.00101.02 1SG 483 ATOM 483 CD GLU 62 11.469 7.042 11.738 1.00101.02 1SG 484 ATOM 484 OE1 GLU 62 11.475 6.156 12.635 1.00101.02 1SG 485 ATOM 485 OE2 GLU 62 11.532 8.279 11.967 1.00101.02 1SG 486 ATOM 486 C GLU 62 11.572 4.455 8.031 1.00101.02 1SG 487 ATOM 487 O GLU 62 11.715 5.027 6.953 1.00101.02 1SG 488 ATOM 488 N GLU 63 12.404 3.480 8.458 1.00286.47 1SG 489 ATOM 489 CA GLU 63 13.580 3.107 7.716 1.00286.47 1SG 490 ATOM 490 CB GLU 63 13.226 2.592 6.328 1.00286.47 1SG 491 ATOM 491 CG GLU 63 14.437 2.479 5.423 1.00286.47 1SG 492 ATOM 492 CD GLU 63 13.901 1.968 4.109 1.00286.47 1SG 493 ATOM 493 OE1 GLU 63 12.680 1.670 4.031 1.00286.47 1SG 494 ATOM 494 OE2 GLU 63 14.713 1.872 3.160 1.00286.47 1SG 495 ATOM 495 C GLU 63 14.543 4.253 7.555 1.00286.47 1SG 496 ATOM 496 O GLU 63 14.149 5.407 7.431 1.00286.47 1SG 497 ATOM 497 N LEU 64 15.863 3.959 7.554 1.00340.91 1SG 498 ATOM 498 CA LEU 64 16.855 4.997 7.424 1.00340.91 1SG 499 ATOM 499 CB LEU 64 17.619 5.275 8.734 1.00340.91 1SG 500 ATOM 500 CG LEU 64 18.787 6.275 8.603 1.00340.91 1SG 501 ATOM 501 CD2 LEU 64 19.669 6.277 9.863 1.00340.91 1SG 502 ATOM 502 CD1 LEU 64 18.303 7.677 8.205 1.00340.91 1SG 503 ATOM 503 C LEU 64 17.894 4.576 6.434 1.00340.91 1SG 504 ATOM 504 O LEU 64 17.990 3.399 6.094 1.00340.91 1SG 505 ATOM 505 N LEU 65 18.633 5.567 5.878 1.00317.74 1SG 506 ATOM 506 CA LEU 65 19.820 5.307 5.112 1.00317.74 1SG 507 ATOM 507 CB LEU 65 19.629 5.124 3.596 1.00317.74 1SG 508 ATOM 508 CG LEU 65 20.961 4.784 2.894 1.00317.74 1SG 509 ATOM 509 CD2 LEU 65 20.889 4.988 1.375 1.00317.74 1SG 510 ATOM 510 CD1 LEU 65 21.453 3.385 3.295 1.00317.74 1SG 511 ATOM 511 C LEU 65 20.689 6.520 5.266 1.00317.74 1SG 512 ATOM 512 O LEU 65 20.344 7.608 4.815 1.00317.74 1SG 513 ATOM 513 N ALA 66 21.859 6.391 5.908 1.00262.12 1SG 514 ATOM 514 CA ALA 66 22.684 7.558 6.006 1.00262.12 1SG 515 ATOM 515 CB ALA 66 22.985 7.987 7.452 1.00262.12 1SG 516 ATOM 516 C ALA 66 23.967 7.167 5.379 1.00262.12 1SG 517 ATOM 517 O ALA 66 24.344 6.003 5.432 1.00262.12 1SG 518 ATOM 518 N HIS 67 24.683 8.077 4.704 1.00250.79 1SG 519 ATOM 519 CA HIS 67 25.872 7.464 4.220 1.00250.79 1SG 520 ATOM 520 ND1 HIS 67 27.155 4.957 2.174 1.00250.79 1SG 521 ATOM 521 CG HIS 67 27.107 6.334 2.256 1.00250.79 1SG 522 ATOM 522 CB HIS 67 25.897 7.127 2.713 1.00250.79 1SG 523 ATOM 523 NE2 HIS 67 29.112 5.699 1.420 1.00250.79 1SG 524 ATOM 524 CD2 HIS 67 28.315 6.768 1.796 1.00250.79 1SG 525 ATOM 525 CE1 HIS 67 28.373 4.632 1.664 1.00250.79 1SG 526 ATOM 526 C HIS 67 27.070 8.286 4.486 1.00250.79 1SG 527 ATOM 527 O HIS 67 27.554 8.988 3.600 1.00250.79 1SG 528 ATOM 528 N GLN 68 27.593 8.247 5.729 1.00154.08 1SG 529 ATOM 529 CA GLN 68 28.959 8.614 5.652 1.00154.08 1SG 530 ATOM 530 CB GLN 68 29.744 8.774 6.978 1.00154.08 1SG 531 ATOM 531 CG GLN 68 31.067 9.533 6.746 1.00154.08 1SG 532 ATOM 532 CD GLN 68 31.735 9.936 8.061 1.00154.08 1SG 533 ATOM 533 OE1 GLN 68 32.619 10.792 8.074 1.00154.08 1SG 534 ATOM 534 NE2 GLN 68 31.313 9.311 9.192 1.00154.08 1SG 535 ATOM 535 C GLN 68 29.366 7.384 4.902 1.00154.08 1SG 536 ATOM 536 O GLN 68 30.169 7.461 3.975 1.00154.08 1SG 537 ATOM 537 N GLU 69 28.740 6.230 5.312 1.00260.04 1SG 538 ATOM 538 CA GLU 69 28.684 4.942 4.650 1.00260.04 1SG 539 ATOM 539 CB GLU 69 30.116 4.320 4.585 1.00260.04 1SG 540 ATOM 540 CG GLU 69 30.952 4.918 3.424 1.00260.04 1SG 541 ATOM 541 CD GLU 69 32.468 5.004 3.671 1.00260.04 1SG 542 ATOM 542 OE1 GLU 69 32.906 4.988 4.852 1.00260.04 1SG 543 ATOM 543 OE2 GLU 69 33.209 5.129 2.658 1.00260.04 1SG 544 ATOM 544 C GLU 69 27.646 4.057 5.393 1.00260.04 1SG 545 ATOM 545 O GLU 69 28.014 3.510 6.433 1.00260.04 1SG 546 ATOM 546 N LYS 70 26.344 3.848 4.916 1.00307.38 1SG 547 ATOM 547 CA LYS 70 25.351 3.089 5.727 1.00307.38 1SG 548 ATOM 548 CB LYS 70 24.848 3.843 6.990 1.00307.38 1SG 549 ATOM 549 CG LYS 70 25.916 4.411 7.955 1.00307.38 1SG 550 ATOM 550 CD LYS 70 26.535 5.753 7.523 1.00307.38 1SG 551 ATOM 551 CE LYS 70 27.293 6.505 8.628 1.00307.38 1SG 552 ATOM 552 NZ LYS 70 28.758 6.357 8.460 1.00307.38 1SG 553 ATOM 553 C LYS 70 24.099 2.326 5.082 1.00307.38 1SG 554 ATOM 554 O LYS 70 24.253 1.595 4.105 1.00307.38 1SG 555 ATOM 555 N HIS 71 22.840 2.534 5.671 1.00265.13 1SG 556 ATOM 556 CA HIS 71 21.485 1.889 5.913 1.00265.13 1SG 557 ATOM 557 ND1 HIS 71 21.353 3.147 9.096 1.00265.13 1SG 558 ATOM 558 CG HIS 71 20.471 2.719 8.130 1.00265.13 1SG 559 ATOM 559 CB HIS 71 20.614 2.917 6.651 1.00265.13 1SG 560 ATOM 560 NE2 HIS 71 19.662 2.167 10.163 1.00265.13 1SG 561 ATOM 561 CD2 HIS 71 19.446 2.122 8.799 1.00265.13 1SG 562 ATOM 562 CE1 HIS 71 20.819 2.792 10.294 1.00265.13 1SG 563 ATOM 563 C HIS 71 20.373 1.033 5.136 1.00265.13 1SG 564 ATOM 564 O HIS 71 20.551 -0.183 5.155 1.00265.13 1SG 565 ATOM 565 N LEU 72 19.247 1.496 4.429 1.00250.04 1SG 566 ATOM 566 CA LEU 72 18.059 0.545 4.345 1.00250.04 1SG 567 ATOM 567 CB LEU 72 17.243 0.709 5.652 1.00250.04 1SG 568 ATOM 568 CG LEU 72 16.015 -0.192 5.876 1.00250.04 1SG 569 ATOM 569 CD2 LEU 72 15.252 0.228 7.142 1.00250.04 1SG 570 ATOM 570 CD1 LEU 72 16.398 -1.678 5.889 1.00250.04 1SG 571 ATOM 571 C LEU 72 17.078 0.542 3.121 1.00250.04 1SG 572 ATOM 572 O LEU 72 17.216 1.369 2.220 1.00250.04 1SG 573 ATOM 573 N ALA 73 16.025 -0.397 3.083 1.00132.72 1SG 574 ATOM 574 CA ALA 73 15.013 -0.628 2.006 1.00132.72 1SG 575 ATOM 575 CB ALA 73 15.500 -1.641 0.955 1.00132.72 1SG 576 ATOM 576 C ALA 73 13.566 -1.083 2.401 1.00132.72 1SG 577 ATOM 577 O ALA 73 13.273 -1.475 3.530 1.00132.72 1SG 578 ATOM 578 N GLU 74 12.629 -1.018 1.388 1.00163.27 1SG 579 ATOM 579 CA GLU 74 11.160 -1.177 1.242 1.00163.27 1SG 580 ATOM 580 CB GLU 74 10.668 -0.687 -0.130 1.00163.27 1SG 581 ATOM 581 CG GLU 74 9.153 -0.854 -0.284 1.00163.27 1SG 582 ATOM 582 CD GLU 74 8.814 -1.038 -1.758 1.00163.27 1SG 583 ATOM 583 OE1 GLU 74 9.760 -1.094 -2.587 1.00163.27 1SG 584 ATOM 584 OE2 GLU 74 7.597 -1.143 -2.071 1.00163.27 1SG 585 ATOM 585 C GLU 74 10.416 -2.510 1.354 1.00163.27 1SG 586 ATOM 586 O GLU 74 9.305 -2.527 1.886 1.00163.27 1SG 587 ATOM 587 N GLU 75 10.949 -3.660 0.892 1.00 97.43 1SG 588 ATOM 588 CA GLU 75 10.090 -4.796 0.572 1.00 97.43 1SG 589 ATOM 589 CB GLU 75 10.798 -6.050 0.032 1.00 97.43 1SG 590 ATOM 590 CG GLU 75 11.017 -6.040 -1.479 1.00 97.43 1SG 591 ATOM 591 CD GLU 75 11.092 -7.499 -1.914 1.00 97.43 1SG 592 ATOM 592 OE1 GLU 75 11.064 -8.382 -1.015 1.00 97.43 1SG 593 ATOM 593 OE2 GLU 75 11.160 -7.751 -3.147 1.00 97.43 1SG 594 ATOM 594 C GLU 75 9.136 -5.325 1.604 1.00 97.43 1SG 595 ATOM 595 O GLU 75 8.067 -5.805 1.223 1.00 97.43 1SG 596 ATOM 596 N ALA 76 9.443 -5.265 2.906 1.00 57.69 1SG 597 ATOM 597 CA ALA 76 8.626 -5.944 3.878 1.00 57.69 1SG 598 ATOM 598 CB ALA 76 9.086 -5.702 5.324 1.00 57.69 1SG 599 ATOM 599 C ALA 76 7.190 -5.511 3.794 1.00 57.69 1SG 600 ATOM 600 O ALA 76 6.275 -6.296 4.048 1.00 57.69 1SG 601 ATOM 601 N PHE 77 6.953 -4.253 3.405 1.00133.90 1SG 602 ATOM 602 CA PHE 77 5.636 -3.692 3.462 1.00133.90 1SG 603 ATOM 603 CB PHE 77 5.584 -2.279 2.910 1.00133.90 1SG 604 ATOM 604 CG PHE 77 4.173 -1.838 3.035 1.00133.90 1SG 605 ATOM 605 CD1 PHE 77 3.661 -1.507 4.265 1.00133.90 1SG 606 ATOM 606 CD2 PHE 77 3.375 -1.731 1.929 1.00133.90 1SG 607 ATOM 607 CE1 PHE 77 2.362 -1.086 4.387 1.00133.90 1SG 608 ATOM 608 CE2 PHE 77 2.080 -1.300 2.053 1.00133.90 1SG 609 ATOM 609 CZ PHE 77 1.562 -0.974 3.280 1.00133.90 1SG 610 ATOM 610 C PHE 77 4.588 -4.459 2.694 1.00133.90 1SG 611 ATOM 611 O PHE 77 3.497 -4.696 3.216 1.00133.90 1SG 612 ATOM 612 N LEU 78 4.865 -4.886 1.447 1.00111.57 1SG 613 ATOM 613 CA LEU 78 3.793 -5.471 0.673 1.00111.57 1SG 614 ATOM 614 CB LEU 78 4.175 -5.922 -0.750 1.00111.57 1SG 615 ATOM 615 CG LEU 78 2.994 -6.594 -1.493 1.00111.57 1SG 616 ATOM 616 CD2 LEU 78 3.451 -7.273 -2.794 1.00111.57 1SG 617 ATOM 617 CD1 LEU 78 1.827 -5.617 -1.711 1.00111.57 1SG 618 ATOM 618 C LEU 78 3.231 -6.682 1.346 1.00111.57 1SG 619 ATOM 619 O LEU 78 2.026 -6.930 1.289 1.00111.57 1SG 620 ATOM 620 N ARG 79 4.090 -7.467 2.007 1.00 78.79 1SG 621 ATOM 621 CA ARG 79 3.654 -8.695 2.604 1.00 78.79 1SG 622 ATOM 622 CB ARG 79 4.802 -9.509 3.207 1.00 78.79 1SG 623 ATOM 623 CG ARG 79 5.694 -10.101 2.120 1.00 78.79 1SG 624 ATOM 624 CD ARG 79 6.857 -10.930 2.654 1.00 78.79 1SG 625 ATOM 625 NE ARG 79 7.584 -11.460 1.470 1.00 78.79 1SG 626 ATOM 626 CZ ARG 79 8.866 -11.904 1.606 1.00 78.79 1SG 627 ATOM 627 NH1 ARG 79 9.479 -11.847 2.824 1.00 78.79 1SG 628 ATOM 628 NH2 ARG 79 9.532 -12.404 0.524 1.00 78.79 1SG 629 ATOM 629 C ARG 79 2.634 -8.444 3.670 1.00 78.79 1SG 630 ATOM 630 O ARG 79 1.748 -9.269 3.892 1.00 78.79 1SG 631 ATOM 631 N ALA 80 2.719 -7.290 4.353 1.00 37.48 1SG 632 ATOM 632 CA ALA 80 1.836 -7.028 5.453 1.00 37.48 1SG 633 ATOM 633 CB ALA 80 2.032 -5.629 6.060 1.00 37.48 1SG 634 ATOM 634 C ALA 80 0.413 -7.115 4.991 1.00 37.48 1SG 635 ATOM 635 O ALA 80 -0.436 -7.652 5.702 1.00 37.48 1SG 636 ATOM 636 N TYR 81 0.107 -6.617 3.779 1.00 70.65 1SG 637 ATOM 637 CA TYR 81 -1.268 -6.640 3.362 1.00 70.65 1SG 638 ATOM 638 CB TYR 81 -1.534 -6.202 1.916 1.00 70.65 1SG 639 ATOM 639 CG TYR 81 -1.307 -4.755 1.819 1.00 70.65 1SG 640 ATOM 640 CD1 TYR 81 -2.149 -3.890 2.466 1.00 70.65 1SG 641 ATOM 641 CD2 TYR 81 -0.281 -4.276 1.051 1.00 70.65 1SG 642 ATOM 642 CE1 TYR 81 -1.948 -2.538 2.379 1.00 70.65 1SG 643 ATOM 643 CE2 TYR 81 -0.086 -2.927 0.964 1.00 70.65 1SG 644 ATOM 644 CZ TYR 81 -0.910 -2.051 1.629 1.00 70.65 1SG 645 ATOM 645 OH TYR 81 -0.701 -0.659 1.538 1.00 70.65 1SG 646 ATOM 646 C TYR 81 -1.771 -8.039 3.337 1.00 70.65 1SG 647 ATOM 647 O TYR 81 -2.888 -8.314 3.775 1.00 70.65 1SG 648 ATOM 648 N ALA 82 -0.948 -8.964 2.821 1.00 35.30 1SG 649 ATOM 649 CA ALA 82 -1.411 -10.302 2.629 1.00 35.30 1SG 650 ATOM 650 CB ALA 82 -0.337 -11.236 2.047 1.00 35.30 1SG 651 ATOM 651 C ALA 82 -1.846 -10.864 3.937 1.00 35.30 1SG 652 ATOM 652 O ALA 82 -2.870 -11.543 4.018 1.00 35.30 1SG 653 ATOM 653 N LYS 83 -1.088 -10.580 5.006 1.00 82.49 1SG 654 ATOM 654 CA LYS 83 -1.431 -11.139 6.278 1.00 82.49 1SG 655 ATOM 655 CB LYS 83 -0.253 -11.063 7.253 1.00 82.49 1SG 656 ATOM 656 CG LYS 83 -0.427 -11.869 8.534 1.00 82.49 1SG 657 ATOM 657 CD LYS 83 0.903 -12.044 9.265 1.00 82.49 1SG 658 ATOM 658 CE LYS 83 0.792 -12.766 10.606 1.00 82.49 1SG 659 ATOM 659 NZ LYS 83 2.134 -12.886 11.217 1.00 82.49 1SG 660 ATOM 660 C LYS 83 -2.574 -10.351 6.843 1.00 82.49 1SG 661 ATOM 661 O LYS 83 -2.388 -9.255 7.369 1.00 82.49 1SG 662 ATOM 662 N ASP 84 -3.800 -10.898 6.731 1.00121.59 1SG 663 ATOM 663 CA ASP 84 -4.959 -10.219 7.242 1.00121.59 1SG 664 ATOM 664 CB ASP 84 -5.505 -9.161 6.260 1.00121.59 1SG 665 ATOM 665 CG ASP 84 -6.730 -8.447 6.825 1.00121.59 1SG 666 ATOM 666 OD1 ASP 84 -7.234 -8.837 7.911 1.00121.59 1SG 667 ATOM 667 OD2 ASP 84 -7.178 -7.479 6.153 1.00121.59 1SG 668 ATOM 668 C ASP 84 -6.034 -11.241 7.434 1.00121.59 1SG 669 ATOM 669 O ASP 84 -6.379 -11.958 6.493 1.00121.59 1SG 670 ATOM 670 N GLU 85 -6.522 -11.422 8.682 1.00148.77 1SG 671 ATOM 671 CA GLU 85 -7.630 -12.322 8.748 1.00148.77 1SG 672 ATOM 672 CB GLU 85 -7.831 -12.844 10.191 1.00148.77 1SG 673 ATOM 673 CG GLU 85 -8.928 -13.903 10.348 1.00148.77 1SG 674 ATOM 674 CD GLU 85 -9.231 -14.036 11.837 1.00148.77 1SG 675 ATOM 675 OE1 GLU 85 -8.571 -13.324 12.641 1.00148.77 1SG 676 ATOM 676 OE2 GLU 85 -10.130 -14.845 12.192 1.00148.77 1SG 677 ATOM 677 C GLU 85 -8.861 -11.640 8.145 1.00148.77 1SG 678 ATOM 678 O GLU 85 -9.080 -11.889 6.960 1.00148.77 1SG 679 ATOM 679 N PRO 86 -9.698 -10.805 8.799 1.00151.01 1SG 680 ATOM 680 CA PRO 86 -10.672 -10.075 8.012 1.00151.01 1SG 681 ATOM 681 CD PRO 86 -10.342 -11.250 10.034 1.00151.01 1SG 682 ATOM 682 CB PRO 86 -11.999 -10.088 8.771 1.00151.01 1SG 683 ATOM 683 CG PRO 86 -11.852 -11.221 9.782 1.00151.01 1SG 684 ATOM 684 C PRO 86 -10.351 -8.649 7.654 1.00151.01 1SG 685 ATOM 685 O PRO 86 -10.776 -8.197 6.592 1.00151.01 1SG 686 ATOM 686 N LEU 87 -9.627 -7.911 8.529 1.00141.58 1SG 687 ATOM 687 CA LEU 87 -9.504 -6.491 8.316 1.00141.58 1SG 688 ATOM 688 CB LEU 87 -10.285 -5.632 9.343 1.00141.58 1SG 689 ATOM 689 CG LEU 87 -9.893 -5.813 10.826 1.00141.58 1SG 690 ATOM 690 CD2 LEU 87 -10.987 -5.266 11.761 1.00141.58 1SG 691 ATOM 691 CD1 LEU 87 -8.503 -5.231 11.133 1.00141.58 1SG 692 ATOM 692 C LEU 87 -8.069 -6.098 8.343 1.00141.58 1SG 693 ATOM 693 O LEU 87 -7.270 -6.617 9.119 1.00141.58 1SG 694 ATOM 694 N TYR 88 -7.717 -5.130 7.478 1.00103.59 1SG 695 ATOM 695 CA TYR 88 -6.351 -4.735 7.318 1.00103.59 1SG 696 ATOM 696 CB TYR 88 -6.031 -4.398 5.855 1.00103.59 1SG 697 ATOM 697 CG TYR 88 -4.587 -4.078 5.698 1.00103.59 1SG 698 ATOM 698 CD1 TYR 88 -3.668 -5.094 5.578 1.00103.59 1SG 699 ATOM 699 CD2 TYR 88 -4.153 -2.773 5.653 1.00103.59 1SG 700 ATOM 700 CE1 TYR 88 -2.334 -4.813 5.417 1.00103.59 1SG 701 ATOM 701 CE2 TYR 88 -2.817 -2.488 5.492 1.00103.59 1SG 702 ATOM 702 CZ TYR 88 -1.906 -3.509 5.368 1.00103.59 1SG 703 ATOM 703 OH TYR 88 -0.535 -3.228 5.191 1.00103.59 1SG 704 ATOM 704 C TYR 88 -6.132 -3.502 8.122 1.00103.59 1SG 705 ATOM 705 O TYR 88 -6.860 -2.519 7.991 1.00103.59 1SG 706 ATOM 706 N ALA 89 -5.111 -3.525 8.999 1.00 39.85 1SG 707 ATOM 707 CA ALA 89 -4.901 -2.348 9.778 1.00 39.85 1SG 708 ATOM 708 CB ALA 89 -4.364 -2.636 11.192 1.00 39.85 1SG 709 ATOM 709 C ALA 89 -3.889 -1.506 9.078 1.00 39.85 1SG 710 ATOM 710 O ALA 89 -2.690 -1.763 9.157 1.00 39.85 1SG 711 ATOM 711 N TRP 90 -4.366 -0.454 8.385 1.00102.10 1SG 712 ATOM 712 CA TRP 90 -3.489 0.488 7.754 1.00102.10 1SG 713 ATOM 713 CB TRP 90 -4.010 1.176 6.477 1.00102.10 1SG 714 ATOM 714 CG TRP 90 -3.615 0.659 5.119 1.00102.10 1SG 715 ATOM 715 CD2 TRP 90 -4.448 -0.085 4.217 1.00102.10 1SG 716 ATOM 716 CD1 TRP 90 -2.464 0.935 4.441 1.00102.10 1SG 717 ATOM 717 NE1 TRP 90 -2.532 0.429 3.169 1.00102.10 1SG 718 ATOM 718 CE2 TRP 90 -3.748 -0.201 3.015 1.00102.10 1SG 719 ATOM 719 CE3 TRP 90 -5.702 -0.600 4.364 1.00102.10 1SG 720 ATOM 720 CZ2 TRP 90 -4.296 -0.833 1.938 1.00102.10 1SG 721 ATOM 721 CZ3 TRP 90 -6.233 -1.267 3.283 1.00102.10 1SG 722 ATOM 722 CH2 TRP 90 -5.549 -1.378 2.093 1.00102.10 1SG 723 ATOM 723 C TRP 90 -3.373 1.650 8.676 1.00102.10 1SG 724 ATOM 724 O TRP 90 -4.373 2.135 9.205 1.00102.10 1SG 725 ATOM 725 N VAL 91 -2.137 2.123 8.909 1.00 45.55 1SG 726 ATOM 726 CA VAL 91 -2.013 3.336 9.655 1.00 45.55 1SG 727 ATOM 727 CB VAL 91 -0.968 3.292 10.730 1.00 45.55 1SG 728 ATOM 728 CG1 VAL 91 -0.840 4.697 11.343 1.00 45.55 1SG 729 ATOM 729 CG2 VAL 91 -1.364 2.208 11.747 1.00 45.55 1SG 730 ATOM 730 C VAL 91 -1.591 4.355 8.649 1.00 45.55 1SG 731 ATOM 731 O VAL 91 -0.436 4.380 8.226 1.00 45.55 1SG 732 ATOM 732 N LEU 92 -2.527 5.233 8.238 1.00141.52 1SG 733 ATOM 733 CA LEU 92 -2.205 6.202 7.231 1.00141.52 1SG 734 ATOM 734 CB LEU 92 -3.297 6.370 6.166 1.00141.52 1SG 735 ATOM 735 CG LEU 92 -2.861 7.328 5.051 1.00141.52 1SG 736 ATOM 736 CD2 LEU 92 -4.015 7.653 4.089 1.00141.52 1SG 737 ATOM 737 CD1 LEU 92 -1.625 6.762 4.339 1.00141.52 1SG 738 ATOM 738 C LEU 92 -2.051 7.517 7.930 1.00141.52 1SG 739 ATOM 739 O LEU 92 -2.669 7.756 8.967 1.00141.52 1SG 740 ATOM 740 N GLU 93 -1.194 8.402 7.384 1.00 66.22 1SG 741 ATOM 741 CA GLU 93 -0.991 9.688 7.987 1.00 66.22 1SG 742 ATOM 742 CB GLU 93 0.215 10.459 7.418 1.00 66.22 1SG 743 ATOM 743 CG GLU 93 0.429 11.827 8.073 1.00 66.22 1SG 744 ATOM 744 CD GLU 93 1.642 12.488 7.432 1.00 66.22 1SG 745 ATOM 745 OE1 GLU 93 2.304 11.824 6.589 1.00 66.22 1SG 746 ATOM 746 OE2 GLU 93 1.925 13.666 7.778 1.00 66.22 1SG 747 ATOM 747 C GLU 93 -2.215 10.494 7.724 1.00 66.22 1SG 748 ATOM 748 O GLU 93 -2.927 10.253 6.749 1.00 66.22 1SG 749 ATOM 749 N ASN 94 -2.500 11.465 8.614 1.00 58.47 1SG 750 ATOM 750 CA ASN 94 -3.665 12.278 8.439 1.00 58.47 1SG 751 ATOM 751 CB ASN 94 -3.772 13.416 9.468 1.00 58.47 1SG 752 ATOM 752 CG ASN 94 -3.846 12.802 10.860 1.00 58.47 1SG 753 ATOM 753 OD1 ASN 94 -3.775 13.509 11.865 1.00 58.47 1SG 754 ATOM 754 ND2 ASN 94 -3.978 11.450 10.928 1.00 58.47 1SG 755 ATOM 755 C ASN 94 -3.503 12.905 7.103 1.00 58.47 1SG 756 ATOM 756 O ASN 94 -2.542 13.633 6.855 1.00 58.47 1SG 757 ATOM 757 N ALA 95 -4.446 12.619 6.191 1.00 30.17 1SG 758 ATOM 758 CA ALA 95 -4.307 13.170 4.884 1.00 30.17 1SG 759 ATOM 759 CB ALA 95 -4.044 12.117 3.794 1.00 30.17 1SG 760 ATOM 760 C ALA 95 -5.588 13.844 4.552 1.00 30.17 1SG 761 ATOM 761 O ALA 95 -6.656 13.483 5.042 1.00 30.17 1SG 762 ATOM 762 N PHE 96 -5.486 14.873 3.702 1.00 98.95 1SG 763 ATOM 763 CA PHE 96 -6.615 15.610 3.241 1.00 98.95 1SG 764 ATOM 764 CB PHE 96 -6.175 16.807 2.381 1.00 98.95 1SG 765 ATOM 765 CG PHE 96 -4.992 16.346 1.599 1.00 98.95 1SG 766 ATOM 766 CD1 PHE 96 -5.107 15.632 0.429 1.00 98.95 1SG 767 ATOM 767 CD2 PHE 96 -3.733 16.644 2.073 1.00 98.95 1SG 768 ATOM 768 CE1 PHE 96 -3.978 15.227 -0.248 1.00 98.95 1SG 769 ATOM 769 CE2 PHE 96 -2.604 16.243 1.401 1.00 98.95 1SG 770 ATOM 770 CZ PHE 96 -2.727 15.533 0.233 1.00 98.95 1SG 771 ATOM 771 C PHE 96 -7.520 14.689 2.491 1.00 98.95 1SG 772 ATOM 772 O PHE 96 -8.739 14.768 2.627 1.00 98.95 1SG 773 ATOM 773 N ARG 97 -6.951 13.782 1.677 1.00 62.25 1SG 774 ATOM 774 CA ARG 97 -7.784 12.890 0.924 1.00 62.25 1SG 775 ATOM 775 CB ARG 97 -6.972 11.989 -0.022 1.00 62.25 1SG 776 ATOM 776 CG ARG 97 -6.285 12.787 -1.132 1.00 62.25 1SG 777 ATOM 777 CD ARG 97 -5.465 11.937 -2.103 1.00 62.25 1SG 778 ATOM 778 NE ARG 97 -4.944 12.858 -3.153 1.00 62.25 1SG 779 ATOM 779 CZ ARG 97 -4.098 12.398 -4.121 1.00 62.25 1SG 780 ATOM 780 NH1 ARG 97 -3.698 11.093 -4.118 1.00 62.25 1SG 781 ATOM 781 NH2 ARG 97 -3.660 13.245 -5.097 1.00 62.25 1SG 782 ATOM 782 C ARG 97 -8.580 12.017 1.849 1.00 62.25 1SG 783 ATOM 783 O ARG 97 -9.798 11.920 1.704 1.00 62.25 1SG 784 ATOM 784 N TYR 98 -7.931 11.364 2.839 1.00173.26 1SG 785 ATOM 785 CA TYR 98 -8.675 10.473 3.690 1.00173.26 1SG 786 ATOM 786 CB TYR 98 -8.205 9.027 3.488 1.00173.26 1SG 787 ATOM 787 CG TYR 98 -8.963 8.096 4.362 1.00173.26 1SG 788 ATOM 788 CD1 TYR 98 -10.225 7.672 4.007 1.00173.26 1SG 789 ATOM 789 CD2 TYR 98 -8.402 7.627 5.521 1.00173.26 1SG 790 ATOM 790 CE1 TYR 98 -10.918 6.802 4.811 1.00173.26 1SG 791 ATOM 791 CE2 TYR 98 -9.089 6.756 6.331 1.00173.26 1SG 792 ATOM 792 CZ TYR 98 -10.350 6.346 5.976 1.00173.26 1SG 793 ATOM 793 OH TYR 98 -11.054 5.452 6.805 1.00173.26 1SG 794 ATOM 794 C TYR 98 -8.423 10.845 5.129 1.00173.26 1SG 795 ATOM 795 O TYR 98 -7.476 10.354 5.743 1.00173.26 1SG 796 ATOM 796 N GLU 99 -9.226 11.767 5.698 1.00103.57 1SG 797 ATOM 797 CA GLU 99 -9.038 12.134 7.073 1.00103.57 1SG 798 ATOM 798 CB GLU 99 -9.247 13.632 7.376 1.00103.57 1SG 799 ATOM 799 CG GLU 99 -8.563 14.042 8.686 1.00103.57 1SG 800 ATOM 800 CD GLU 99 -8.168 15.510 8.611 1.00103.57 1SG 801 ATOM 801 OE1 GLU 99 -7.444 15.891 7.650 1.00103.57 1SG 802 ATOM 802 OE2 GLU 99 -8.570 16.264 9.537 1.00103.57 1SG 803 ATOM 803 C GLU 99 -9.784 11.287 8.073 1.00103.57 1SG 804 ATOM 804 O GLU 99 -9.334 11.182 9.210 1.00103.57 1SG 805 ATOM 805 N LYS 100 -10.957 10.695 7.730 1.00 51.76 1SG 806 ATOM 806 CA LYS 100 -11.701 10.007 8.763 1.00 51.76 1SG 807 ATOM 807 CB LYS 100 -13.096 10.606 9.003 1.00 51.76 1SG 808 ATOM 808 CG LYS 100 -13.025 12.024 9.564 1.00 51.76 1SG 809 ATOM 809 CD LYS 100 -14.354 12.770 9.472 1.00 51.76 1SG 810 ATOM 810 CE LYS 100 -14.310 14.199 10.022 1.00 51.76 1SG 811 ATOM 811 NZ LYS 100 -15.594 14.887 9.743 1.00 51.76 1SG 812 ATOM 812 C LYS 100 -11.898 8.549 8.453 1.00 51.76 1SG 813 ATOM 813 O LYS 100 -12.136 8.135 7.315 1.00 51.76 1SG 814 ATOM 814 N PRO 101 -11.791 7.759 9.495 1.00 74.30 1SG 815 ATOM 815 CA PRO 101 -11.911 6.326 9.417 1.00 74.30 1SG 816 ATOM 816 CD PRO 101 -12.186 8.245 10.810 1.00 74.30 1SG 817 ATOM 817 CB PRO 101 -11.814 5.842 10.857 1.00 74.30 1SG 818 ATOM 818 CG PRO 101 -12.491 6.983 11.641 1.00 74.30 1SG 819 ATOM 819 C PRO 101 -13.241 5.946 8.862 1.00 74.30 1SG 820 ATOM 820 O PRO 101 -13.316 5.082 7.991 1.00 74.30 1SG 821 ATOM 821 N LEU 102 -14.314 6.569 9.381 1.00 45.34 1SG 822 ATOM 822 CA LEU 102 -15.634 6.283 8.909 1.00 45.34 1SG 823 ATOM 823 CB LEU 102 -16.505 5.550 9.946 1.00 45.34 1SG 824 ATOM 824 CG LEU 102 -16.002 4.137 10.311 1.00 45.34 1SG 825 ATOM 825 CD2 LEU 102 -15.810 3.270 9.054 1.00 45.34 1SG 826 ATOM 826 CD1 LEU 102 -16.907 3.464 11.360 1.00 45.34 1SG 827 ATOM 827 C LEU 102 -16.264 7.610 8.667 1.00 45.34 1SG 828 ATOM 828 O LEU 102 -16.365 8.435 9.574 1.00 45.34 1SG 829 ATOM 829 N HIS 103 -16.689 7.863 7.420 1.00 99.87 1SG 830 ATOM 830 CA HIS 103 -17.297 9.125 7.144 1.00 99.87 1SG 831 ATOM 831 ND1 HIS 103 -16.454 9.408 3.835 1.00 99.87 1SG 832 ATOM 832 CG HIS 103 -15.851 9.396 5.072 1.00 99.87 1SG 833 ATOM 833 CB HIS 103 -16.416 10.056 6.293 1.00 99.87 1SG 834 ATOM 834 NE2 HIS 103 -14.564 8.258 3.611 1.00 99.87 1SG 835 ATOM 835 CD2 HIS 103 -14.698 8.690 4.918 1.00 99.87 1SG 836 ATOM 836 CE1 HIS 103 -15.642 8.713 2.999 1.00 99.87 1SG 837 ATOM 837 C HIS 103 -18.569 8.849 6.422 1.00 99.87 1SG 838 ATOM 838 O HIS 103 -18.727 7.797 5.804 1.00 99.87 1SG 839 ATOM 839 N VAL 104 -19.528 9.788 6.512 1.00 34.91 1SG 840 ATOM 840 CA VAL 104 -20.806 9.581 5.900 1.00 34.91 1SG 841 ATOM 841 CB VAL 104 -21.877 10.450 6.487 1.00 34.91 1SG 842 ATOM 842 CG1 VAL 104 -23.173 10.237 5.687 1.00 34.91 1SG 843 ATOM 843 CG2 VAL 104 -21.997 10.139 7.988 1.00 34.91 1SG 844 ATOM 844 C VAL 104 -20.718 9.939 4.455 1.00 34.91 1SG 845 ATOM 845 O VAL 104 -20.271 11.023 4.085 1.00 34.91 1SG 846 ATOM 846 N PRO 105 -21.106 9.010 3.630 1.00 74.86 1SG 847 ATOM 847 CA PRO 105 -21.190 9.294 2.227 1.00 74.86 1SG 848 ATOM 848 CD PRO 105 -20.792 7.615 3.884 1.00 74.86 1SG 849 ATOM 849 CB PRO 105 -20.931 7.972 1.502 1.00 74.86 1SG 850 ATOM 850 CG PRO 105 -21.153 6.895 2.578 1.00 74.86 1SG 851 ATOM 851 C PRO 105 -22.548 9.855 1.958 1.00 74.86 1SG 852 ATOM 852 O PRO 105 -23.478 9.523 2.693 1.00 74.86 1SG 853 ATOM 853 N ARG 106 -22.696 10.713 0.934 1.00162.97 1SG 854 ATOM 854 CA ARG 106 -24.010 11.161 0.586 1.00162.97 1SG 855 ATOM 855 CB ARG 106 -24.529 12.362 1.396 1.00162.97 1SG 856 ATOM 856 CG ARG 106 -25.937 12.777 0.959 1.00162.97 1SG 857 ATOM 857 CD ARG 106 -26.521 13.970 1.718 1.00162.97 1SG 858 ATOM 858 NE ARG 106 -27.873 14.225 1.144 1.00162.97 1SG 859 ATOM 859 CZ ARG 106 -28.659 15.224 1.641 1.00162.97 1SG 860 ATOM 860 NH1 ARG 106 -28.215 15.992 2.678 1.00162.97 1SG 861 ATOM 861 NH2 ARG 106 -29.890 15.456 1.097 1.00162.97 1SG 862 ATOM 862 C ARG 106 -23.961 11.596 -0.836 1.00162.97 1SG 863 ATOM 863 O ARG 106 -23.067 12.342 -1.233 1.00162.97 1SG 864 ATOM 864 N ARG 107 -24.915 11.119 -1.655 1.00143.47 1SG 865 ATOM 865 CA ARG 107 -24.920 11.554 -3.017 1.00143.47 1SG 866 ATOM 866 CB ARG 107 -23.589 11.282 -3.736 1.00143.47 1SG 867 ATOM 867 CG ARG 107 -23.476 11.914 -5.124 1.00143.47 1SG 868 ATOM 868 CD ARG 107 -22.071 11.781 -5.715 1.00143.47 1SG 869 ATOM 869 NE ARG 107 -22.071 12.421 -7.059 1.00143.47 1SG 870 ATOM 870 CZ ARG 107 -20.887 12.640 -7.702 1.00143.47 1SG 871 ATOM 871 NH1 ARG 107 -19.711 12.308 -7.094 1.00143.47 1SG 872 ATOM 872 NH2 ARG 107 -20.878 13.188 -8.952 1.00143.47 1SG 873 ATOM 873 C ARG 107 -26.005 10.805 -3.714 1.00143.47 1SG 874 ATOM 874 O ARG 107 -26.462 9.764 -3.246 1.00143.47 1SG 875 ATOM 875 N PRO 108 -26.448 11.336 -4.815 1.00 51.08 1SG 876 ATOM 876 CA PRO 108 -27.461 10.659 -5.570 1.00 51.08 1SG 877 ATOM 877 CD PRO 108 -26.540 12.780 -4.958 1.00 51.08 1SG 878 ATOM 878 CB PRO 108 -27.972 11.677 -6.586 1.00 51.08 1SG 879 ATOM 879 CG PRO 108 -27.747 13.027 -5.880 1.00 51.08 1SG 880 ATOM 880 C PRO 108 -26.911 9.408 -6.165 1.00 51.08 1SG 881 ATOM 881 O PRO 108 -27.689 8.518 -6.503 1.00 51.08 1SG 882 ATOM 882 N GLY 109 -25.577 9.321 -6.314 1.00 4.21 1SG 883 ATOM 883 CA GLY 109 -25.003 8.143 -6.890 1.00 4.21 1SG 884 ATOM 884 C GLY 109 -23.568 8.049 -6.391 1.00 4.21 1SG 885 ATOM 885 O GLY 109 -23.155 8.940 -5.603 1.00 4.21 1SG 886 ATOM 886 OXT GLY 109 -22.865 7.085 -6.796 1.00 4.21 1SG 887 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.650 REMARK SCORE 0.650 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 8 PARENT 1S1H_I ATOM 1 N PRO 4 -137.722 -11.600 48.266 1.00 58.98 1SG 2 ATOM 2 CA PRO 4 -137.192 -10.461 47.470 1.00 58.98 1SG 3 ATOM 3 CD PRO 4 -137.941 -11.160 49.685 1.00 58.98 1SG 4 ATOM 4 CB PRO 4 -136.839 -9.365 48.473 1.00 58.98 1SG 5 ATOM 5 CG PRO 4 -137.746 -9.636 49.676 1.00 58.98 1SG 6 ATOM 6 C PRO 4 -136.019 -10.952 46.692 1.00 58.98 1SG 7 ATOM 7 O PRO 4 -135.319 -11.852 47.157 1.00 58.98 1SG 8 ATOM 8 N LYS 5 -135.797 -10.367 45.500 1.00 72.89 1SG 9 ATOM 9 CA LYS 5 -134.722 -10.762 44.641 1.00 72.89 1SG 10 ATOM 10 CB LYS 5 -135.211 -11.130 43.233 1.00 72.89 1SG 11 ATOM 11 CG LYS 5 -134.130 -11.564 42.244 1.00 72.89 1SG 12 ATOM 12 CD LYS 5 -134.745 -12.204 40.998 1.00 72.89 1SG 13 ATOM 13 CE LYS 5 -133.772 -12.464 39.850 1.00 72.89 1SG 14 ATOM 14 NZ LYS 5 -134.533 -12.922 38.666 1.00 72.89 1SG 15 ATOM 15 C LYS 5 -133.835 -9.568 44.509 1.00 72.89 1SG 16 ATOM 16 O LYS 5 -134.298 -8.431 44.599 1.00 72.89 1SG 17 ATOM 17 N LEU 6 -132.525 -9.798 44.322 1.00136.99 1SG 18 ATOM 18 CA LEU 6 -131.642 -8.680 44.209 1.00136.99 1SG 19 ATOM 19 CB LEU 6 -130.797 -8.473 45.479 1.00136.99 1SG 20 ATOM 20 CG LEU 6 -129.879 -7.241 45.456 1.00136.99 1SG 21 ATOM 21 CD2 LEU 6 -129.099 -7.131 46.775 1.00136.99 1SG 22 ATOM 22 CD1 LEU 6 -130.670 -5.954 45.168 1.00136.99 1SG 23 ATOM 23 C LEU 6 -130.751 -8.951 43.046 1.00136.99 1SG 24 ATOM 24 O LEU 6 -130.717 -10.074 42.542 1.00136.99 1SG 25 ATOM 25 N GLY 7 -130.002 -7.936 42.569 1.00 31.15 1SG 26 ATOM 26 CA GLY 7 -129.142 -8.223 41.464 1.00 31.15 1SG 27 ATOM 27 C GLY 7 -127.894 -7.410 41.574 1.00 31.15 1SG 28 ATOM 28 O GLY 7 -127.887 -6.315 42.132 1.00 31.15 1SG 29 ATOM 29 N LEU 8 -126.786 -7.982 41.054 1.00177.01 1SG 30 ATOM 30 CA LEU 8 -125.520 -7.311 40.980 1.00177.01 1SG 31 ATOM 31 CB LEU 8 -124.496 -7.796 42.007 1.00177.01 1SG 32 ATOM 32 CG LEU 8 -123.154 -7.057 41.900 1.00177.01 1SG 33 ATOM 33 CD2 LEU 8 -122.101 -7.732 42.773 1.00177.01 1SG 34 ATOM 34 CD1 LEU 8 -123.308 -5.561 42.215 1.00177.01 1SG 35 ATOM 35 C LEU 8 -124.983 -7.649 39.630 1.00177.01 1SG 36 ATOM 36 O LEU 8 -125.250 -8.740 39.133 1.00177.01 1SG 37 ATOM 37 N ILE 9 -124.218 -6.725 39.004 1.00304.50 1SG 38 ATOM 38 CA ILE 9 -123.699 -6.948 37.682 1.00304.50 1SG 39 ATOM 39 CB ILE 9 -124.121 -5.895 36.684 1.00304.50 1SG 40 ATOM 40 CG2 ILE 9 -123.539 -4.535 37.110 1.00304.50 1SG 41 ATOM 41 CG1 ILE 9 -123.751 -6.318 35.250 1.00304.50 1SG 42 ATOM 42 CD1 ILE 9 -124.399 -5.454 34.165 1.00304.50 1SG 43 ATOM 43 C ILE 9 -122.211 -6.951 37.749 1.00304.50 1SG 44 ATOM 44 O ILE 9 -121.633 -6.198 38.519 1.00304.50 1SG 45 ATOM 45 N VAL 10 -121.537 -7.842 36.992 1.00 86.28 1SG 46 ATOM 46 CA VAL 10 -120.103 -7.835 37.012 1.00 86.28 1SG 47 ATOM 47 CB VAL 10 -119.498 -8.661 38.109 1.00 86.28 1SG 48 ATOM 48 CG1 VAL 10 -117.976 -8.689 37.911 1.00 86.28 1SG 49 ATOM 49 CG2 VAL 10 -119.921 -8.097 39.472 1.00 86.28 1SG 50 ATOM 50 C VAL 10 -119.593 -8.399 35.723 1.00 86.28 1SG 51 ATOM 51 O VAL 10 -120.208 -9.285 35.130 1.00 86.28 1SG 52 ATOM 52 N ARG 11 -118.441 -7.875 35.255 1.00 99.92 1SG 53 ATOM 53 CA ARG 11 -117.805 -8.365 34.069 1.00 99.92 1SG 54 ATOM 54 CB ARG 11 -118.117 -7.511 32.824 1.00 99.92 1SG 55 ATOM 55 CG ARG 11 -117.677 -6.050 32.974 1.00 99.92 1SG 56 ATOM 56 CD ARG 11 -118.604 -5.217 33.864 1.00 99.92 1SG 57 ATOM 57 NE ARG 11 -117.938 -3.907 34.127 1.00 99.92 1SG 58 ATOM 58 CZ ARG 11 -118.475 -3.052 35.044 1.00 99.92 1SG 59 ATOM 59 NH1 ARG 11 -119.652 -3.363 35.658 1.00 99.92 1SG 60 ATOM 60 NH2 ARG 11 -117.825 -1.890 35.361 1.00 99.92 1SG 61 ATOM 61 C ARG 11 -116.335 -8.257 34.314 1.00 99.92 1SG 62 ATOM 62 O ARG 11 -115.874 -7.277 34.895 1.00 99.92 1SG 63 ATOM 63 N GLU 12 -115.540 -9.263 33.896 1.00151.17 1SG 64 ATOM 64 CA GLU 12 -114.132 -9.088 34.090 1.00151.17 1SG 65 ATOM 65 CB GLU 12 -113.472 -9.965 35.178 1.00151.17 1SG 66 ATOM 66 CG GLU 12 -112.058 -9.451 35.482 1.00151.17 1SG 67 ATOM 67 CD GLU 12 -111.478 -10.150 36.697 1.00151.17 1SG 68 ATOM 68 OE1 GLU 12 -112.054 -9.997 37.806 1.00151.17 1SG 69 ATOM 69 OE2 GLU 12 -110.441 -10.850 36.535 1.00151.17 1SG 70 ATOM 70 C GLU 12 -113.494 -9.099 32.727 1.00151.17 1SG 71 ATOM 71 O GLU 12 -114.217 -8.608 31.865 1.00151.17 1SG 72 ATOM 72 N PRO 13 -112.297 -9.626 32.413 1.00194.10 1SG 73 ATOM 73 CA PRO 13 -111.588 -9.302 31.185 1.00194.10 1SG 74 ATOM 74 CD PRO 13 -111.894 -10.957 32.857 1.00194.10 1SG 75 ATOM 75 CB PRO 13 -110.529 -10.380 30.968 1.00194.10 1SG 76 ATOM 76 CG PRO 13 -110.489 -11.166 32.284 1.00194.10 1SG 77 ATOM 77 C PRO 13 -112.423 -9.173 29.963 1.00194.10 1SG 78 ATOM 78 O PRO 13 -113.391 -9.915 29.812 1.00194.10 1SG 79 ATOM 79 N TYR 14 -112.094 -8.191 29.113 1.00285.20 1SG 80 ATOM 80 CA TYR 14 -112.913 -7.966 27.972 1.00285.20 1SG 81 ATOM 81 CB TYR 14 -112.974 -6.471 27.605 1.00285.20 1SG 82 ATOM 82 CG TYR 14 -114.268 -6.179 26.926 1.00285.20 1SG 83 ATOM 83 CD1 TYR 14 -114.435 -6.303 25.567 1.00285.20 1SG 84 ATOM 84 CD2 TYR 14 -115.336 -5.772 27.694 1.00285.20 1SG 85 ATOM 85 CE1 TYR 14 -115.654 -6.020 24.992 1.00285.20 1SG 86 ATOM 86 CE2 TYR 14 -116.554 -5.488 27.126 1.00285.20 1SG 87 ATOM 87 CZ TYR 14 -116.713 -5.611 25.769 1.00285.20 1SG 88 ATOM 88 OH TYR 14 -117.959 -5.320 25.174 1.00285.20 1SG 89 ATOM 89 C TYR 14 -112.157 -8.655 26.895 1.00285.20 1SG 90 ATOM 90 O TYR 14 -111.173 -8.126 26.383 1.00285.20 1SG 91 ATOM 91 N ALA 15 -112.587 -9.876 26.537 1.00212.22 1SG 92 ATOM 92 CA ALA 15 -111.840 -10.589 25.551 1.00212.22 1SG 93 ATOM 93 CB ALA 15 -111.577 -12.056 25.921 1.00212.22 1SG 94 ATOM 94 C ALA 15 -112.644 -10.593 24.308 1.00212.22 1SG 95 ATOM 95 O ALA 15 -113.824 -10.943 24.312 1.00212.22 1SG 96 ATOM 96 N SER 16 -112.023 -10.172 23.194 1.00183.24 1SG 97 ATOM 97 CA SER 16 -112.769 -10.230 21.986 1.00183.24 1SG 98 ATOM 98 CB SER 16 -113.477 -8.912 21.635 1.00183.24 1SG 99 ATOM 99 OG SER 16 -114.192 -9.057 20.415 1.00183.24 1SG 100 ATOM 100 C SER 16 -111.831 -10.516 20.872 1.00183.24 1SG 101 ATOM 101 O SER 16 -110.890 -9.766 20.618 1.00183.24 1SG 102 ATOM 102 N LEU 17 -112.058 -11.648 20.194 1.00289.84 1SG 103 ATOM 103 CA LEU 17 -111.354 -11.868 18.978 1.00289.84 1SG 104 ATOM 104 CB LEU 17 -111.206 -13.361 18.624 1.00289.84 1SG 105 ATOM 105 CG LEU 17 -110.313 -13.648 17.399 1.00289.84 1SG 106 ATOM 106 CD2 LEU 17 -110.245 -15.158 17.101 1.00289.84 1SG 107 ATOM 107 CD1 LEU 17 -108.907 -13.053 17.588 1.00289.84 1SG 108 ATOM 108 C LEU 17 -112.310 -11.203 18.053 1.00289.84 1SG 109 ATOM 109 O LEU 17 -113.486 -11.098 18.391 1.00289.84 1SG 110 ATOM 110 N ILE 18 -111.887 -10.710 16.879 1.00146.32 1SG 111 ATOM 111 CA ILE 18 -112.929 -10.019 16.187 1.00146.32 1SG 112 ATOM 112 CB ILE 18 -112.375 -8.935 15.300 1.00146.32 1SG 113 ATOM 113 CG2 ILE 18 -111.690 -9.602 14.097 1.00146.32 1SG 114 ATOM 114 CG1 ILE 18 -113.455 -7.906 14.931 1.00146.32 1SG 115 ATOM 115 CD1 ILE 18 -112.879 -6.586 14.415 1.00146.32 1SG 116 ATOM 116 C ILE 18 -113.681 -11.042 15.391 1.00146.32 1SG 117 ATOM 117 O ILE 18 -114.450 -10.720 14.488 1.00146.32 1SG 118 ATOM 118 N VAL 19 -113.465 -12.324 15.749 1.00120.79 1SG 119 ATOM 119 CA VAL 19 -114.164 -13.464 15.236 1.00120.79 1SG 120 ATOM 120 CB VAL 19 -113.431 -14.736 15.529 1.00120.79 1SG 121 ATOM 121 CG1 VAL 19 -114.278 -15.929 15.063 1.00120.79 1SG 122 ATOM 122 CG2 VAL 19 -112.058 -14.656 14.840 1.00120.79 1SG 123 ATOM 123 C VAL 19 -115.531 -13.514 15.857 1.00120.79 1SG 124 ATOM 124 O VAL 19 -116.506 -13.819 15.173 1.00120.79 1SG 125 ATOM 125 N ASP 20 -115.595 -13.243 17.187 1.00217.16 1SG 126 ATOM 126 CA ASP 20 -116.784 -13.191 18.008 1.00217.16 1SG 127 ATOM 127 CB ASP 20 -118.035 -13.904 17.453 1.00217.16 1SG 128 ATOM 128 CG ASP 20 -118.743 -12.971 16.480 1.00217.16 1SG 129 ATOM 129 OD1 ASP 20 -118.446 -11.745 16.518 1.00217.16 1SG 130 ATOM 130 OD2 ASP 20 -119.582 -13.470 15.685 1.00217.16 1SG 131 ATOM 131 C ASP 20 -116.481 -13.817 19.336 1.00217.16 1SG 132 ATOM 132 O ASP 20 -116.086 -14.980 19.398 1.00217.16 1SG 133 ATOM 133 N GLY 21 -116.652 -13.055 20.440 1.00109.66 1SG 134 ATOM 134 CA GLY 21 -116.433 -13.593 21.758 1.00109.66 1SG 135 ATOM 135 C GLY 21 -116.487 -12.461 22.746 1.00109.66 1SG 136 ATOM 136 O GLY 21 -116.197 -11.317 22.406 1.00109.66 1SG 137 ATOM 137 N ARG 22 -116.866 -12.744 24.012 1.00140.73 1SG 138 ATOM 138 CA ARG 22 -116.928 -11.721 25.028 1.00140.73 1SG 139 ATOM 139 CB ARG 22 -118.184 -10.837 24.940 1.00140.73 1SG 140 ATOM 140 CG ARG 22 -118.335 -10.077 23.620 1.00140.73 1SG 141 ATOM 141 CD ARG 22 -117.912 -8.607 23.681 1.00140.73 1SG 142 ATOM 142 NE ARG 22 -118.829 -7.912 24.628 1.00140.73 1SG 143 ATOM 143 CZ ARG 22 -120.026 -7.409 24.208 1.00140.73 1SG 144 ATOM 144 NH1 ARG 22 -120.411 -7.537 22.902 1.00140.73 1SG 145 ATOM 145 NH2 ARG 22 -120.852 -6.790 25.101 1.00140.73 1SG 146 ATOM 146 C ARG 22 -117.080 -12.466 26.305 1.00140.73 1SG 147 ATOM 147 O ARG 22 -117.180 -13.685 26.267 1.00140.73 1SG 148 ATOM 148 N LYS 23 -117.107 -11.741 27.453 1.00191.86 1SG 149 ATOM 149 CA LYS 23 -117.318 -12.302 28.764 1.00191.86 1SG 150 ATOM 150 CB LYS 23 -116.034 -12.331 29.607 1.00191.86 1SG 151 ATOM 151 CG LYS 23 -116.299 -12.783 31.035 1.00191.86 1SG 152 ATOM 152 CD LYS 23 -116.942 -14.163 31.090 1.00191.86 1SG 153 ATOM 153 CE LYS 23 -118.189 -14.171 31.961 1.00191.86 1SG 154 ATOM 154 NZ LYS 23 -117.903 -13.392 33.183 1.00191.86 1SG 155 ATOM 155 C LYS 23 -118.340 -11.460 29.484 1.00191.86 1SG 156 ATOM 156 O LYS 23 -118.195 -10.241 29.572 1.00191.86 1SG 157 ATOM 157 N VAL 24 -119.412 -12.089 30.030 1.00 46.69 1SG 158 ATOM 158 CA VAL 24 -120.447 -11.336 30.707 1.00 46.69 1SG 159 ATOM 159 CB VAL 24 -121.598 -10.979 29.801 1.00 46.69 1SG 160 ATOM 160 CG1 VAL 24 -122.696 -10.256 30.599 1.00 46.69 1SG 161 ATOM 161 CG2 VAL 24 -121.048 -10.144 28.635 1.00 46.69 1SG 162 ATOM 162 C VAL 24 -120.998 -12.192 31.812 1.00 46.69 1SG 163 ATOM 163 O VAL 24 -120.886 -13.416 31.773 1.00 46.69 1SG 164 ATOM 164 N TRP 25 -121.597 -11.561 32.847 1.00168.78 1SG 165 ATOM 165 CA TRP 25 -122.165 -12.340 33.907 1.00168.78 1SG 166 ATOM 166 CB TRP 25 -121.221 -12.414 35.115 1.00168.78 1SG 167 ATOM 167 CG TRP 25 -121.621 -13.439 36.134 1.00168.78 1SG 168 ATOM 168 CD2 TRP 25 -121.252 -14.826 36.078 1.00168.78 1SG 169 ATOM 169 CD1 TRP 25 -122.385 -13.284 37.246 1.00168.78 1SG 170 ATOM 170 NE1 TRP 25 -122.500 -14.481 37.900 1.00168.78 1SG 171 ATOM 171 CE2 TRP 25 -121.822 -15.444 37.185 1.00168.78 1SG 172 ATOM 172 CE3 TRP 25 -120.497 -15.523 35.180 1.00168.78 1SG 173 ATOM 173 CZ2 TRP 25 -121.654 -16.778 37.409 1.00168.78 1SG 174 ATOM 174 CZ3 TRP 25 -120.330 -16.871 35.405 1.00168.78 1SG 175 ATOM 175 CH2 TRP 25 -120.901 -17.484 36.496 1.00168.78 1SG 176 ATOM 176 C TRP 25 -123.436 -11.662 34.321 1.00168.78 1SG 177 ATOM 177 O TRP 25 -123.633 -10.483 34.037 1.00168.78 1SG 178 ATOM 178 N GLU 26 -124.362 -12.418 34.950 1.00 96.31 1SG 179 ATOM 179 CA GLU 26 -125.573 -11.838 35.456 1.00 96.31 1SG 180 ATOM 180 CB GLU 26 -126.804 -12.047 34.569 1.00 96.31 1SG 181 ATOM 181 CG GLU 26 -128.050 -11.325 35.081 1.00 96.31 1SG 182 ATOM 182 CD GLU 26 -129.172 -11.590 34.082 1.00 96.31 1SG 183 ATOM 183 OE1 GLU 26 -128.912 -12.273 33.053 1.00 96.31 1SG 184 ATOM 184 OE2 GLU 26 -130.307 -11.114 34.350 1.00 96.31 1SG 185 ATOM 185 C GLU 26 -125.852 -12.499 36.758 1.00 96.31 1SG 186 ATOM 186 O GLU 26 -126.017 -13.715 36.796 1.00 96.31 1SG 187 ATOM 187 N ILE 27 -125.939 -11.732 37.868 1.00106.43 1SG 188 ATOM 188 CA ILE 27 -126.110 -12.460 39.094 1.00106.43 1SG 189 ATOM 189 CB ILE 27 -125.023 -12.250 40.103 1.00106.43 1SG 190 ATOM 190 CG2 ILE 27 -125.250 -10.909 40.816 1.00106.43 1SG 191 ATOM 191 CG1 ILE 27 -125.022 -13.448 41.058 1.00106.43 1SG 192 ATOM 192 CD1 ILE 27 -123.796 -13.544 41.950 1.00106.43 1SG 193 ATOM 193 C ILE 27 -127.407 -12.072 39.736 1.00106.43 1SG 194 ATOM 194 O ILE 27 -127.779 -10.900 39.772 1.00106.43 1SG 195 ATOM 195 N ARG 28 -128.161 -13.078 40.224 1.00 81.94 1SG 196 ATOM 196 CA ARG 28 -129.392 -12.794 40.900 1.00 81.94 1SG 197 ATOM 197 CB ARG 28 -130.618 -13.241 40.092 1.00 81.94 1SG 198 ATOM 198 CG ARG 28 -130.697 -12.623 38.689 1.00 81.94 1SG 199 ATOM 199 CD ARG 28 -131.777 -13.254 37.802 1.00 81.94 1SG 200 ATOM 200 NE ARG 28 -131.762 -12.572 36.472 1.00 81.94 1SG 201 ATOM 201 CZ ARG 28 -132.699 -12.901 35.532 1.00 81.94 1SG 202 ATOM 202 NH1 ARG 28 -133.644 -13.843 35.824 1.00 81.94 1SG 203 ATOM 203 NH2 ARG 28 -132.712 -12.289 34.309 1.00 81.94 1SG 204 ATOM 204 C ARG 28 -129.389 -13.605 42.152 1.00 81.94 1SG 205 ATOM 205 O ARG 28 -129.705 -14.793 42.119 1.00 81.94 1SG 206 ATOM 206 N ARG 29 -129.040 -12.999 43.302 1.00120.41 1SG 207 ATOM 207 CA ARG 29 -129.014 -13.800 44.493 1.00120.41 1SG 208 ATOM 208 CB ARG 29 -128.020 -13.331 45.565 1.00120.41 1SG 209 ATOM 209 CG ARG 29 -128.106 -14.102 46.886 1.00120.41 1SG 210 ATOM 210 CD ARG 29 -127.354 -13.426 48.037 1.00120.41 1SG 211 ATOM 211 NE ARG 29 -127.748 -14.108 49.302 1.00120.41 1SG 212 ATOM 212 CZ ARG 29 -127.480 -13.516 50.503 1.00120.41 1SG 213 ATOM 213 NH1 ARG 29 -126.824 -12.321 50.542 1.00120.41 1SG 214 ATOM 214 NH2 ARG 29 -127.874 -14.113 51.666 1.00120.41 1SG 215 ATOM 215 C ARG 29 -130.370 -13.832 45.091 1.00120.41 1SG 216 ATOM 216 O ARG 29 -131.186 -12.926 44.918 1.00120.41 1SG 217 ATOM 217 N ARG 30 -130.638 -14.936 45.803 1.00 77.94 1SG 218 ATOM 218 CA ARG 30 -131.892 -15.103 46.441 1.00 77.94 1SG 219 ATOM 219 CB ARG 30 -132.865 -15.960 45.621 1.00 77.94 1SG 220 ATOM 220 CG ARG 30 -133.270 -15.297 44.302 1.00 77.94 1SG 221 ATOM 221 CD ARG 30 -134.237 -16.143 43.475 1.00 77.94 1SG 222 ATOM 222 NE ARG 30 -134.543 -15.386 42.229 1.00 77.94 1SG 223 ATOM 223 CZ ARG 30 -134.802 -16.068 41.074 1.00 77.94 1SG 224 ATOM 224 NH1 ARG 30 -134.749 -17.432 41.067 1.00 77.94 1SG 225 ATOM 225 NH2 ARG 30 -135.113 -15.394 39.929 1.00 77.94 1SG 226 ATOM 226 C ARG 30 -131.613 -15.801 47.717 1.00 77.94 1SG 227 ATOM 227 O ARG 30 -130.516 -16.308 47.947 1.00 77.94 1SG 228 ATOM 228 N LYS 31 -132.614 -15.811 48.605 1.00 83.49 1SG 229 ATOM 229 CA LYS 31 -132.441 -16.465 49.859 1.00 83.49 1SG 230 ATOM 230 CB LYS 31 -133.185 -15.734 50.989 1.00 83.49 1SG 231 ATOM 231 CG LYS 31 -133.053 -16.379 52.368 1.00 83.49 1SG 232 ATOM 232 CD LYS 31 -133.645 -15.510 53.477 1.00 83.49 1SG 233 ATOM 233 CE LYS 31 -133.753 -16.224 54.823 1.00 83.49 1SG 234 ATOM 234 NZ LYS 31 -134.363 -15.319 55.822 1.00 83.49 1SG 235 ATOM 235 C LYS 31 -133.054 -17.818 49.726 1.00 83.49 1SG 236 ATOM 236 O LYS 31 -134.276 -17.947 49.667 1.00 83.49 1SG 237 ATOM 237 N THR 32 -132.216 -18.869 49.651 1.00109.19 1SG 238 ATOM 238 CA THR 32 -132.781 -20.183 49.620 1.00109.19 1SG 239 ATOM 239 CB THR 32 -133.078 -20.748 48.255 1.00109.19 1SG 240 ATOM 240 OG1 THR 32 -133.952 -21.859 48.389 1.00109.19 1SG 241 ATOM 241 CG2 THR 32 -131.784 -21.200 47.564 1.00109.19 1SG 242 ATOM 242 C THR 32 -131.829 -21.080 50.333 1.00109.19 1SG 243 ATOM 243 O THR 32 -130.994 -20.607 51.101 1.00109.19 1SG 244 ATOM 244 N ARG 33 -131.935 -22.406 50.108 1.00126.70 1SG 245 ATOM 245 CA ARG 33 -131.105 -23.320 50.834 1.00126.70 1SG 246 ATOM 246 CB ARG 33 -131.284 -24.767 50.352 1.00126.70 1SG 247 ATOM 247 CG ARG 33 -130.359 -25.771 51.040 1.00126.70 1SG 248 ATOM 248 CD ARG 33 -130.427 -27.165 50.415 1.00126.70 1SG 249 ATOM 249 NE ARG 33 -129.369 -28.001 51.045 1.00126.70 1SG 250 ATOM 250 CZ ARG 33 -129.106 -29.243 50.543 1.00126.70 1SG 251 ATOM 251 NH1 ARG 33 -129.815 -29.710 49.473 1.00126.70 1SG 252 ATOM 252 NH2 ARG 33 -128.138 -30.018 51.114 1.00126.70 1SG 253 ATOM 253 C ARG 33 -129.677 -22.959 50.617 1.00126.70 1SG 254 ATOM 254 O ARG 33 -129.007 -22.564 51.570 1.00126.70 1SG 255 ATOM 255 N HIS 34 -129.188 -23.025 49.358 1.00235.80 1SG 256 ATOM 256 CA HIS 34 -127.830 -22.617 49.140 1.00235.80 1SG 257 ATOM 257 ND1 HIS 34 -125.542 -21.374 51.085 1.00235.80 1SG 258 ATOM 258 CG HIS 34 -125.571 -22.548 50.365 1.00235.80 1SG 259 ATOM 259 CB HIS 34 -126.838 -23.312 50.099 1.00235.80 1SG 260 ATOM 260 NE2 HIS 34 -123.438 -21.819 50.519 1.00235.80 1SG 261 ATOM 261 CD2 HIS 34 -124.276 -22.805 50.028 1.00235.80 1SG 262 ATOM 262 CE1 HIS 34 -124.244 -20.981 51.146 1.00235.80 1SG 263 ATOM 263 C HIS 34 -127.449 -23.054 47.759 1.00235.80 1SG 264 ATOM 264 O HIS 34 -126.633 -23.961 47.597 1.00235.80 1SG 265 ATOM 265 N ARG 35 -128.007 -22.419 46.711 1.00143.10 1SG 266 ATOM 266 CA ARG 35 -127.571 -22.783 45.393 1.00143.10 1SG 267 ATOM 267 CB ARG 35 -128.415 -23.906 44.758 1.00143.10 1SG 268 ATOM 268 CG ARG 35 -129.915 -23.624 44.672 1.00143.10 1SG 269 ATOM 269 CD ARG 35 -130.723 -24.823 44.161 1.00143.10 1SG 270 ATOM 270 NE ARG 35 -132.162 -24.437 44.181 1.00143.10 1SG 271 ATOM 271 CZ ARG 35 -133.114 -25.276 43.678 1.00143.10 1SG 272 ATOM 272 NH1 ARG 35 -132.763 -26.483 43.145 1.00143.10 1SG 273 ATOM 273 NH2 ARG 35 -134.425 -24.902 43.715 1.00143.10 1SG 274 ATOM 274 C ARG 35 -127.590 -21.550 44.548 1.00143.10 1SG 275 ATOM 275 O ARG 35 -128.634 -20.938 44.336 1.00143.10 1SG 276 ATOM 276 N GLY 36 -126.419 -21.183 43.993 1.00 63.47 1SG 277 ATOM 277 CA GLY 36 -126.283 -19.942 43.287 1.00 63.47 1SG 278 ATOM 278 C GLY 36 -125.549 -20.175 42.025 1.00 63.47 1SG 279 ATOM 279 O GLY 36 -125.833 -21.131 41.317 1.00 63.47 1SG 280 ATOM 280 N PRO 37 -124.717 -19.201 41.720 1.00120.13 1SG 281 ATOM 281 CA PRO 37 -123.860 -19.167 40.561 1.00120.13 1SG 282 ATOM 282 CD PRO 37 -125.060 -17.866 42.136 1.00120.13 1SG 283 ATOM 283 CB PRO 37 -123.642 -17.696 40.218 1.00120.13 1SG 284 ATOM 284 CG PRO 37 -124.037 -16.942 41.490 1.00120.13 1SG 285 ATOM 285 C PRO 37 -122.553 -19.865 40.723 1.00120.13 1SG 286 ATOM 286 O PRO 37 -122.055 -20.021 41.839 1.00120.13 1SG 287 ATOM 287 N LEU 38 -122.002 -20.275 39.571 1.00359.23 1SG 288 ATOM 288 CA LEU 38 -120.764 -20.970 39.379 1.00359.23 1SG 289 ATOM 289 CB LEU 38 -120.190 -21.718 40.596 1.00359.23 1SG 290 ATOM 290 CG LEU 38 -118.740 -22.180 40.332 1.00359.23 1SG 291 ATOM 291 CD2 LEU 38 -118.376 -23.487 41.050 1.00359.23 1SG 292 ATOM 292 CD1 LEU 38 -117.760 -21.021 40.558 1.00359.23 1SG 293 ATOM 293 C LEU 38 -121.209 -22.025 38.435 1.00359.23 1SG 294 ATOM 294 O LEU 38 -122.244 -21.862 37.790 1.00359.23 1SG 295 ATOM 295 N GLY 39 -120.425 -23.095 38.252 1.00106.03 1SG 296 ATOM 296 CA GLY 39 -121.084 -24.133 37.541 1.00106.03 1SG 297 ATOM 297 C GLY 39 -122.131 -24.552 38.515 1.00106.03 1SG 298 ATOM 298 O GLY 39 -121.837 -25.231 39.497 1.00106.03 1SG 299 ATOM 299 N ILE 40 -123.398 -24.165 38.259 1.00189.86 1SG 300 ATOM 300 CA ILE 40 -124.506 -24.477 39.126 1.00189.86 1SG 301 ATOM 301 CB ILE 40 -124.378 -23.723 40.385 1.00189.86 1SG 302 ATOM 302 CG2 ILE 40 -123.875 -22.360 39.941 1.00189.86 1SG 303 ATOM 303 CG1 ILE 40 -125.551 -23.904 41.381 1.00189.86 1SG 304 ATOM 304 CD1 ILE 40 -125.255 -23.436 42.788 1.00189.86 1SG 305 ATOM 305 C ILE 40 -125.733 -24.159 38.346 1.00189.86 1SG 306 ATOM 306 O ILE 40 -125.843 -24.575 37.198 1.00189.86 1SG 307 ATOM 307 N VAL 41 -126.716 -23.422 38.922 1.00 75.95 1SG 308 ATOM 308 CA VAL 41 -127.854 -23.007 38.167 1.00 75.95 1SG 309 ATOM 309 CB VAL 41 -129.021 -22.592 39.024 1.00 75.95 1SG 310 ATOM 310 CG1 VAL 41 -130.193 -22.158 38.120 1.00 75.95 1SG 311 ATOM 311 CG2 VAL 41 -129.365 -23.751 39.982 1.00 75.95 1SG 312 ATOM 312 C VAL 41 -127.387 -21.811 37.401 1.00 75.95 1SG 313 ATOM 313 O VAL 41 -127.949 -20.723 37.471 1.00 75.95 1SG 314 ATOM 314 N SER 42 -126.296 -22.046 36.668 1.00123.71 1SG 315 ATOM 315 CA SER 42 -125.633 -21.233 35.725 1.00123.71 1SG 316 ATOM 316 CB SER 42 -124.298 -20.674 36.223 1.00123.71 1SG 317 ATOM 317 OG SER 42 -123.672 -19.929 35.190 1.00123.71 1SG 318 ATOM 318 C SER 42 -125.298 -22.285 34.749 1.00123.71 1SG 319 ATOM 319 O SER 42 -124.326 -23.019 34.913 1.00123.71 1SG 320 ATOM 320 N GLY 43 -126.141 -22.435 33.728 1.00 39.79 1SG 321 ATOM 321 CA GLY 43 -125.885 -23.501 32.820 1.00 39.79 1SG 322 ATOM 322 C GLY 43 -126.663 -24.700 33.299 1.00 39.79 1SG 323 ATOM 323 O GLY 43 -126.913 -25.626 32.528 1.00 39.79 1SG 324 ATOM 324 N GLY 44 -127.072 -24.714 34.589 1.00 34.54 1SG 325 ATOM 325 CA GLY 44 -127.921 -25.777 35.070 1.00 34.54 1SG 326 ATOM 326 C GLY 44 -127.196 -26.880 35.811 1.00 34.54 1SG 327 ATOM 327 O GLY 44 -127.850 -27.784 36.332 1.00 34.54 1SG 328 ATOM 328 N ARG 45 -125.851 -26.866 35.898 1.00159.93 1SG 329 ATOM 329 CA ARG 45 -125.158 -27.930 36.599 1.00159.93 1SG 330 ATOM 330 CB ARG 45 -123.938 -28.420 35.792 1.00159.93 1SG 331 ATOM 331 CG ARG 45 -122.971 -29.363 36.515 1.00159.93 1SG 332 ATOM 332 CD ARG 45 -121.683 -29.604 35.716 1.00159.93 1SG 333 ATOM 333 NE ARG 45 -120.719 -30.339 36.587 1.00159.93 1SG 334 ATOM 334 CZ ARG 45 -119.375 -30.210 36.379 1.00159.93 1SG 335 ATOM 335 NH1 ARG 45 -118.916 -29.450 35.342 1.00159.93 1SG 336 ATOM 336 NH2 ARG 45 -118.484 -30.824 37.212 1.00159.93 1SG 337 ATOM 337 C ARG 45 -124.636 -27.354 37.878 1.00159.93 1SG 338 ATOM 338 O ARG 45 -123.602 -26.714 37.834 1.00159.93 1SG 339 ATOM 339 N LEU 46 -125.246 -27.704 39.039 1.00191.34 1SG 340 ATOM 340 CA LEU 46 -125.145 -27.118 40.371 1.00191.34 1SG 341 ATOM 341 CB LEU 46 -125.977 -27.902 41.410 1.00191.34 1SG 342 ATOM 342 CG LEU 46 -125.610 -29.404 41.533 1.00191.34 1SG 343 ATOM 343 CD2 LEU 46 -126.681 -30.168 42.325 1.00191.34 1SG 344 ATOM 344 CD1 LEU 46 -124.196 -29.640 42.092 1.00191.34 1SG 345 ATOM 345 C LEU 46 -123.773 -26.949 40.996 1.00191.34 1SG 346 ATOM 346 O LEU 46 -122.802 -27.605 40.629 1.00191.34 1SG 347 ATOM 347 N ILE 47 -123.725 -25.971 41.955 1.00273.30 1SG 348 ATOM 348 CA ILE 47 -122.706 -25.586 42.919 1.00273.30 1SG 349 ATOM 349 CB ILE 47 -121.710 -24.466 42.613 1.00273.30 1SG 350 ATOM 350 CG2 ILE 47 -122.353 -23.089 42.379 1.00273.30 1SG 351 ATOM 351 CG1 ILE 47 -120.704 -24.441 43.779 1.00273.30 1SG 352 ATOM 352 CD1 ILE 47 -119.654 -23.339 43.689 1.00273.30 1SG 353 ATOM 353 C ILE 47 -123.455 -25.275 44.202 1.00273.30 1SG 354 ATOM 354 O ILE 47 -124.190 -26.135 44.679 1.00273.30 1SG 355 ATOM 355 N GLY 48 -123.289 -24.073 44.829 1.00154.76 1SG 356 ATOM 356 CA GLY 48 -123.974 -23.765 46.066 1.00154.76 1SG 357 ATOM 357 C GLY 48 -124.351 -22.294 46.180 1.00154.76 1SG 358 ATOM 358 O GLY 48 -124.155 -21.502 45.262 1.00154.76 1SG 359 ATOM 359 N GLN 49 -124.901 -21.935 47.374 1.00186.82 1SG 360 ATOM 360 CA GLN 49 -125.450 -20.695 47.909 1.00186.82 1SG 361 ATOM 361 CB GLN 49 -124.425 -19.656 48.391 1.00186.82 1SG 362 ATOM 362 CG GLN 49 -125.145 -18.472 49.046 1.00186.82 1SG 363 ATOM 363 CD GLN 49 -124.170 -17.314 49.232 1.00186.82 1SG 364 ATOM 364 OE1 GLN 49 -124.452 -16.201 48.797 1.00186.82 1SG 365 ATOM 365 NE2 GLN 49 -123.018 -17.563 49.908 1.00186.82 1SG 366 ATOM 366 C GLN 49 -126.354 -20.002 46.952 1.00186.82 1SG 367 ATOM 367 O GLN 49 -125.905 -19.511 45.928 1.00186.82 1SG 368 ATOM 368 N ALA 50 -127.629 -19.809 47.359 1.00 74.24 1SG 369 ATOM 369 CA ALA 50 -128.717 -19.332 46.541 1.00 74.24 1SG 370 ATOM 370 CB ALA 50 -129.947 -18.922 47.362 1.00 74.24 1SG 371 ATOM 371 C ALA 50 -128.377 -18.156 45.683 1.00 74.24 1SG 372 ATOM 372 O ALA 50 -127.812 -17.166 46.149 1.00 74.24 1SG 373 ATOM 373 N ASP 51 -128.744 -18.280 44.379 1.00142.50 1SG 374 ATOM 374 CA ASP 51 -128.598 -17.244 43.394 1.00142.50 1SG 375 ATOM 375 CB ASP 51 -127.272 -16.472 43.571 1.00142.50 1SG 376 ATOM 376 CG ASP 51 -127.050 -15.350 42.567 1.00142.50 1SG 377 ATOM 377 OD1 ASP 51 -127.152 -15.596 41.338 1.00142.50 1SG 378 ATOM 378 OD2 ASP 51 -126.736 -14.224 43.033 1.00142.50 1SG 379 ATOM 379 C ASP 51 -128.723 -17.884 42.028 1.00142.50 1SG 380 ATOM 380 O ASP 51 -128.412 -19.055 41.834 1.00142.50 1SG 381 ATOM 381 N LEU 52 -129.250 -17.142 41.033 1.00134.11 1SG 382 ATOM 382 CA LEU 52 -129.389 -17.672 39.696 1.00134.11 1SG 383 ATOM 383 CB LEU 52 -130.734 -17.333 39.031 1.00134.11 1SG 384 ATOM 384 CG LEU 52 -130.829 -17.811 37.571 1.00134.11 1SG 385 ATOM 385 CD2 LEU 52 -132.024 -17.166 36.853 1.00134.11 1SG 386 ATOM 386 CD1 LEU 52 -130.825 -19.344 37.486 1.00134.11 1SG 387 ATOM 387 C LEU 52 -128.354 -17.010 38.855 1.00134.11 1SG 388 ATOM 388 O LEU 52 -128.111 -15.815 39.003 1.00134.11 1SG 389 ATOM 389 N VAL 53 -127.690 -17.737 37.936 1.00102.49 1SG 390 ATOM 390 CA VAL 53 -126.727 -16.947 37.243 1.00102.49 1SG 391 ATOM 391 CB VAL 53 -125.355 -17.072 37.813 1.00102.49 1SG 392 ATOM 392 CG1 VAL 53 -124.420 -17.806 36.849 1.00102.49 1SG 393 ATOM 393 CG2 VAL 53 -124.932 -15.702 38.325 1.00102.49 1SG 394 ATOM 394 C VAL 53 -126.675 -17.362 35.816 1.00102.49 1SG 395 ATOM 395 O VAL 53 -126.949 -18.509 35.462 1.00102.49 1SG 396 ATOM 396 N GLY 54 -126.305 -16.393 34.960 1.00 27.57 1SG 397 ATOM 397 CA GLY 54 -126.161 -16.663 33.568 1.00 27.57 1SG 398 ATOM 398 C GLY 54 -124.787 -16.214 33.217 1.00 27.57 1SG 399 ATOM 399 O GLY 54 -124.353 -15.130 33.608 1.00 27.57 1SG 400 ATOM 400 N VAL 55 -124.060 -17.056 32.467 1.00104.40 1SG 401 ATOM 401 CA VAL 55 -122.732 -16.685 32.104 1.00104.40 1SG 402 ATOM 402 CB VAL 55 -121.675 -17.436 32.851 1.00104.40 1SG 403 ATOM 403 CG1 VAL 55 -121.815 -18.932 32.524 1.00104.40 1SG 404 ATOM 404 CG2 VAL 55 -120.307 -16.862 32.449 1.00104.40 1SG 405 ATOM 405 C VAL 55 -122.510 -17.054 30.681 1.00104.40 1SG 406 ATOM 406 O VAL 55 -122.993 -18.076 30.196 1.00104.40 1SG 407 ATOM 407 N GLU 56 -121.770 -16.191 29.968 1.00 88.18 1SG 408 ATOM 408 CA GLU 56 -121.350 -16.471 28.630 1.00 88.18 1SG 409 ATOM 409 CB GLU 56 -122.237 -15.838 27.545 1.00 88.18 1SG 410 ATOM 410 CG GLU 56 -121.765 -16.157 26.125 1.00 88.18 1SG 411 ATOM 411 CD GLU 56 -122.727 -15.482 25.161 1.00 88.18 1SG 412 ATOM 412 OE1 GLU 56 -123.668 -14.809 25.659 1.00 88.18 1SG 413 ATOM 413 OE2 GLU 56 -122.542 -15.630 23.923 1.00 88.18 1SG 414 ATOM 414 C GLU 56 -120.011 -15.825 28.550 1.00 88.18 1SG 415 ATOM 415 O GLU 56 -119.831 -14.722 29.056 1.00 88.18 1SG 416 ATOM 416 N GLY 57 -119.006 -16.479 27.947 1.00 69.61 1SG 417 ATOM 417 CA GLY 57 -117.752 -15.782 27.935 1.00 69.61 1SG 418 ATOM 418 C GLY 57 -116.651 -16.731 27.597 1.00 69.61 1SG 419 ATOM 419 O GLY 57 -116.794 -17.951 27.648 1.00 69.61 1SG 420 ATOM 420 N PRO 58 -115.533 -16.148 27.258 1.00154.26 1SG 421 ATOM 421 CA PRO 58 -114.391 -16.869 26.782 1.00154.26 1SG 422 ATOM 422 CD PRO 58 -115.143 -14.866 27.818 1.00154.26 1SG 423 ATOM 423 CB PRO 58 -113.281 -15.836 26.620 1.00154.26 1SG 424 ATOM 424 CG PRO 58 -113.609 -14.815 27.715 1.00154.26 1SG 425 ATOM 425 C PRO 58 -113.917 -18.008 27.625 1.00154.26 1SG 426 ATOM 426 O PRO 58 -113.751 -19.101 27.085 1.00154.26 1SG 427 ATOM 427 N PHE 59 -113.683 -17.805 28.934 1.00 94.96 1SG 428 ATOM 428 CA PHE 59 -113.137 -18.903 29.678 1.00 94.96 1SG 429 ATOM 429 CB PHE 59 -111.617 -18.779 29.935 1.00 94.96 1SG 430 ATOM 430 CG PHE 59 -111.093 -20.067 30.490 1.00 94.96 1SG 431 ATOM 431 CD1 PHE 59 -110.818 -21.129 29.657 1.00 94.96 1SG 432 ATOM 432 CD2 PHE 59 -110.855 -20.214 31.839 1.00 94.96 1SG 433 ATOM 433 CE1 PHE 59 -110.332 -22.315 30.159 1.00 94.96 1SG 434 ATOM 434 CE2 PHE 59 -110.370 -21.397 32.347 1.00 94.96 1SG 435 ATOM 435 CZ PHE 59 -110.109 -22.453 31.508 1.00 94.96 1SG 436 ATOM 436 C PHE 59 -113.828 -18.946 30.995 1.00 94.96 1SG 437 ATOM 437 O PHE 59 -114.495 -17.994 31.394 1.00 94.96 1SG 438 ATOM 438 N SER 60 -113.690 -20.080 31.703 1.00 59.51 1SG 439 ATOM 439 CA SER 60 -114.343 -20.217 32.964 1.00 59.51 1SG 440 ATOM 440 CB SER 60 -114.107 -21.586 33.623 1.00 59.51 1SG 441 ATOM 441 OG SER 60 -114.791 -21.650 34.866 1.00 59.51 1SG 442 ATOM 442 C SER 60 -113.774 -19.180 33.873 1.00 59.51 1SG 443 ATOM 443 O SER 60 -114.458 -18.700 34.772 1.00 59.51 1SG 444 ATOM 444 N VAL 61 -112.493 -18.828 33.669 1.00 31.03 1SG 445 ATOM 445 CA VAL 61 -111.828 -17.867 34.500 1.00 31.03 1SG 446 ATOM 446 CB VAL 61 -110.366 -17.768 34.189 1.00 31.03 1SG 447 ATOM 447 CG1 VAL 61 -109.740 -16.657 35.048 1.00 31.03 1SG 448 ATOM 448 CG2 VAL 61 -109.747 -19.157 34.418 1.00 31.03 1SG 449 ATOM 449 C VAL 61 -112.448 -16.510 34.333 1.00 31.03 1SG 450 ATOM 450 O VAL 61 -112.787 -15.859 35.317 1.00 31.03 1SG 451 ATOM 451 N GLU 62 -112.649 -16.050 33.082 1.00 90.02 1SG 452 ATOM 452 CA GLU 62 -113.188 -14.738 32.852 1.00 90.02 1SG 453 ATOM 453 CB GLU 62 -113.194 -14.386 31.346 1.00 90.02 1SG 454 ATOM 454 CG GLU 62 -113.312 -12.893 31.021 1.00 90.02 1SG 455 ATOM 455 CD GLU 62 -112.668 -12.646 29.651 1.00 90.02 1SG 456 ATOM 456 OE1 GLU 62 -111.437 -12.902 29.526 1.00 90.02 1SG 457 ATOM 457 OE2 GLU 62 -113.384 -12.193 28.719 1.00 90.02 1SG 458 ATOM 458 C GLU 62 -114.579 -14.717 33.410 1.00 90.02 1SG 459 ATOM 459 O GLU 62 -115.014 -13.748 34.030 1.00 90.02 1SG 460 ATOM 460 N GLU 63 -115.312 -15.824 33.220 1.00 45.47 1SG 461 ATOM 461 CA GLU 63 -116.646 -15.954 33.729 1.00 45.47 1SG 462 ATOM 462 CB GLU 63 -117.263 -17.312 33.352 1.00 45.47 1SG 463 ATOM 463 CG GLU 63 -117.477 -17.511 31.852 1.00 45.47 1SG 464 ATOM 464 CD GLU 63 -117.961 -18.940 31.631 1.00 45.47 1SG 465 ATOM 465 OE1 GLU 63 -118.145 -19.672 32.641 1.00 45.47 1SG 466 ATOM 466 OE2 GLU 63 -118.152 -19.319 30.446 1.00 45.47 1SG 467 ATOM 467 C GLU 63 -116.614 -15.911 35.225 1.00 45.47 1SG 468 ATOM 468 O GLU 63 -117.429 -15.248 35.867 1.00 45.47 1SG 469 ATOM 469 N LEU 64 -115.632 -16.607 35.820 1.00 37.63 1SG 470 ATOM 470 CA LEU 64 -115.576 -16.740 37.246 1.00 37.63 1SG 471 ATOM 471 CB LEU 64 -114.374 -17.569 37.730 1.00 37.63 1SG 472 ATOM 472 CG LEU 64 -114.316 -17.713 39.264 1.00 37.63 1SG 473 ATOM 473 CD2 LEU 64 -112.966 -18.283 39.738 1.00 37.63 1SG 474 ATOM 474 CD1 LEU 64 -115.524 -18.505 39.786 1.00 37.63 1SG 475 ATOM 475 C LEU 64 -115.443 -15.384 37.847 1.00 37.63 1SG 476 ATOM 476 O LEU 64 -116.027 -15.110 38.891 1.00 37.63 1SG 477 ATOM 477 N LEU 65 -114.641 -14.505 37.225 1.00 92.45 1SG 478 ATOM 478 CA LEU 65 -114.447 -13.203 37.782 1.00 92.45 1SG 479 ATOM 479 CB LEU 65 -113.285 -12.435 37.128 1.00 92.45 1SG 480 ATOM 480 CG LEU 65 -111.897 -12.917 37.609 1.00 92.45 1SG 481 ATOM 481 CD2 LEU 65 -111.689 -14.416 37.368 1.00 92.45 1SG 482 ATOM 482 CD1 LEU 65 -111.645 -12.530 39.076 1.00 92.45 1SG 483 ATOM 483 C LEU 65 -115.703 -12.385 37.753 1.00 92.45 1SG 484 ATOM 484 O LEU 65 -116.039 -11.767 38.761 1.00 92.45 1SG 485 ATOM 485 N ALA 66 -116.451 -12.357 36.630 1.00 50.82 1SG 486 ATOM 486 CA ALA 66 -117.633 -11.539 36.657 1.00 50.82 1SG 487 ATOM 487 CB ALA 66 -118.396 -11.506 35.327 1.00 50.82 1SG 488 ATOM 488 C ALA 66 -118.554 -12.078 37.713 1.00 50.82 1SG 489 ATOM 489 O ALA 66 -119.124 -11.338 38.512 1.00 50.82 1SG 490 ATOM 490 N HIS 67 -118.683 -13.408 37.774 1.00140.19 1SG 491 ATOM 491 CA HIS 67 -119.538 -14.014 38.750 1.00140.19 1SG 492 ATOM 492 ND1 HIS 67 -121.076 -15.821 40.703 1.00140.19 1SG 493 ATOM 493 CG HIS 67 -119.825 -16.017 40.166 1.00140.19 1SG 494 ATOM 494 CB HIS 67 -119.383 -15.534 38.815 1.00140.19 1SG 495 ATOM 495 NE2 HIS 67 -119.862 -16.841 42.265 1.00140.19 1SG 496 ATOM 496 CD2 HIS 67 -119.098 -16.643 41.129 1.00140.19 1SG 497 ATOM 497 CE1 HIS 67 -121.039 -16.331 41.963 1.00140.19 1SG 498 ATOM 498 C HIS 67 -119.159 -13.609 40.134 1.00140.19 1SG 499 ATOM 499 O HIS 67 -120.005 -13.181 40.916 1.00140.19 1SG 500 ATOM 500 N GLN 68 -117.865 -13.717 40.471 1.00 89.48 1SG 501 ATOM 501 CA GLN 68 -117.485 -13.526 41.838 1.00 89.48 1SG 502 ATOM 502 CB GLN 68 -115.975 -13.654 42.087 1.00 89.48 1SG 503 ATOM 503 CG GLN 68 -115.622 -13.439 43.561 1.00 89.48 1SG 504 ATOM 504 CD GLN 68 -114.115 -13.553 43.706 1.00 89.48 1SG 505 ATOM 505 OE1 GLN 68 -113.569 -13.444 44.802 1.00 89.48 1SG 506 ATOM 506 NE2 GLN 68 -113.418 -13.771 42.560 1.00 89.48 1SG 507 ATOM 507 C GLN 68 -117.862 -12.159 42.285 1.00 89.48 1SG 508 ATOM 508 O GLN 68 -118.412 -11.979 43.372 1.00 89.48 1SG 509 ATOM 509 N GLU 69 -117.600 -11.154 41.440 1.00 55.70 1SG 510 ATOM 510 CA GLU 69 -117.895 -9.833 41.874 1.00 55.70 1SG 511 ATOM 511 CB GLU 69 -117.420 -8.801 40.859 1.00 55.70 1SG 512 ATOM 512 CG GLU 69 -115.896 -8.790 40.775 1.00 55.70 1SG 513 ATOM 513 CD GLU 69 -115.525 -8.161 39.451 1.00 55.70 1SG 514 ATOM 514 OE1 GLU 69 -116.090 -7.079 39.136 1.00 55.70 1SG 515 ATOM 515 OE2 GLU 69 -114.672 -8.750 38.734 1.00 55.70 1SG 516 ATOM 516 C GLU 69 -119.364 -9.731 42.092 1.00 55.70 1SG 517 ATOM 517 O GLU 69 -119.798 -9.159 43.090 1.00 55.70 1SG 518 ATOM 518 N LYS 70 -120.167 -10.323 41.185 1.00 98.00 1SG 519 ATOM 519 CA LYS 70 -121.593 -10.262 41.333 1.00 98.00 1SG 520 ATOM 520 CB LYS 70 -122.383 -10.877 40.163 1.00 98.00 1SG 521 ATOM 521 CG LYS 70 -122.600 -9.917 38.991 1.00 98.00 1SG 522 ATOM 522 CD LYS 70 -123.373 -10.574 37.846 1.00 98.00 1SG 523 ATOM 523 CE LYS 70 -123.624 -9.685 36.628 1.00 98.00 1SG 524 ATOM 524 NZ LYS 70 -125.030 -9.223 36.508 1.00 98.00 1SG 525 ATOM 525 C LYS 70 -122.020 -10.974 42.576 1.00 98.00 1SG 526 ATOM 526 O LYS 70 -122.895 -10.481 43.283 1.00 98.00 1SG 527 ATOM 527 N HIS 71 -121.418 -12.140 42.891 1.00266.84 1SG 528 ATOM 528 CA HIS 71 -121.826 -12.909 44.043 1.00266.84 1SG 529 ATOM 529 ND1 HIS 71 -122.284 -15.935 45.502 1.00266.84 1SG 530 ATOM 530 CG HIS 71 -121.337 -14.936 45.538 1.00266.84 1SG 531 ATOM 531 CB HIS 71 -120.923 -14.129 44.336 1.00266.84 1SG 532 ATOM 532 NE2 HIS 71 -121.586 -15.803 47.609 1.00266.84 1SG 533 ATOM 533 CD2 HIS 71 -120.919 -14.869 46.834 1.00266.84 1SG 534 ATOM 534 CE1 HIS 71 -122.394 -16.419 46.766 1.00266.84 1SG 535 ATOM 535 C HIS 71 -121.725 -12.012 45.222 1.00266.84 1SG 536 ATOM 536 O HIS 71 -120.826 -11.174 45.288 1.00266.84 1SG 537 ATOM 537 N LEU 72 -122.663 -12.105 46.186 1.00339.95 1SG 538 ATOM 538 CA LEU 72 -122.389 -11.143 47.193 1.00339.95 1SG 539 ATOM 539 CB LEU 72 -123.404 -10.021 47.465 1.00339.95 1SG 540 ATOM 540 CG LEU 72 -122.581 -9.099 48.366 1.00339.95 1SG 541 ATOM 541 CD2 LEU 72 -123.233 -7.830 48.947 1.00339.95 1SG 542 ATOM 542 CD1 LEU 72 -121.344 -8.818 47.535 1.00339.95 1SG 543 ATOM 543 C LEU 72 -122.149 -11.734 48.530 1.00339.95 1SG 544 ATOM 544 O LEU 72 -122.916 -12.545 49.043 1.00339.95 1SG 545 ATOM 545 N ALA 73 -120.999 -11.322 49.088 1.00239.23 1SG 546 ATOM 546 CA ALA 73 -120.661 -11.474 50.464 1.00239.23 1SG 547 ATOM 547 CB ALA 73 -119.373 -12.274 50.707 1.00239.23 1SG 548 ATOM 548 C ALA 73 -120.382 -10.041 50.786 1.00239.23 1SG 549 ATOM 549 O ALA 73 -119.405 -9.503 50.269 1.00239.23 1SG 550 ATOM 550 N GLU 74 -121.203 -9.442 51.683 1.00267.67 1SG 551 ATOM 551 CA GLU 74 -121.337 -8.028 51.964 1.00267.67 1SG 552 ATOM 552 CB GLU 74 -121.138 -7.642 53.446 1.00267.67 1SG 553 ATOM 553 CG GLU 74 -122.367 -7.896 54.326 1.00267.67 1SG 554 ATOM 554 CD GLU 74 -123.296 -6.705 54.145 1.00267.67 1SG 555 ATOM 555 OE1 GLU 74 -122.891 -5.764 53.411 1.00267.67 1SG 556 ATOM 556 OE2 GLU 74 -124.411 -6.717 54.732 1.00267.67 1SG 557 ATOM 557 C GLU 74 -120.454 -7.154 51.124 1.00267.67 1SG 558 ATOM 558 O GLU 74 -119.666 -6.370 51.651 1.00267.67 1SG 559 ATOM 559 N GLU 75 -120.626 -7.248 49.781 1.00282.10 1SG 560 ATOM 560 CA GLU 75 -119.959 -6.391 48.858 1.00282.10 1SG 561 ATOM 561 CB GLU 75 -118.592 -6.904 48.329 1.00282.10 1SG 562 ATOM 562 CG GLU 75 -118.505 -8.192 47.516 1.00282.10 1SG 563 ATOM 563 CD GLU 75 -117.047 -8.646 47.494 1.00282.10 1SG 564 ATOM 564 OE1 GLU 75 -116.613 -9.266 48.501 1.00282.10 1SG 565 ATOM 565 OE2 GLU 75 -116.349 -8.389 46.476 1.00282.10 1SG 566 ATOM 566 C GLU 75 -120.978 -5.933 47.845 1.00282.10 1SG 567 ATOM 567 O GLU 75 -122.035 -5.459 48.249 1.00282.10 1SG 568 ATOM 568 N ALA 76 -120.727 -6.034 46.527 1.00 91.58 1SG 569 ATOM 569 CA ALA 76 -121.625 -5.408 45.582 1.00 91.58 1SG 570 ATOM 570 CB ALA 76 -121.035 -5.370 44.164 1.00 91.58 1SG 571 ATOM 571 C ALA 76 -123.051 -5.918 45.477 1.00 91.58 1SG 572 ATOM 572 O ALA 76 -123.973 -5.109 45.569 1.00 91.58 1SG 573 ATOM 573 N PHE 77 -123.307 -7.235 45.303 1.00136.85 1SG 574 ATOM 574 CA PHE 77 -124.658 -7.681 45.001 1.00136.85 1SG 575 ATOM 575 CB PHE 77 -124.736 -9.212 44.854 1.00136.85 1SG 576 ATOM 576 CG PHE 77 -126.159 -9.658 44.750 1.00136.85 1SG 577 ATOM 577 CD1 PHE 77 -126.783 -9.733 43.525 1.00136.85 1SG 578 ATOM 578 CD2 PHE 77 -126.869 -10.011 45.876 1.00136.85 1SG 579 ATOM 579 CE1 PHE 77 -128.088 -10.149 43.444 1.00136.85 1SG 580 ATOM 580 CE2 PHE 77 -128.172 -10.420 45.800 1.00136.85 1SG 581 ATOM 581 CZ PHE 77 -128.786 -10.487 44.578 1.00136.85 1SG 582 ATOM 582 C PHE 77 -125.643 -7.366 46.078 1.00136.85 1SG 583 ATOM 583 O PHE 77 -126.560 -6.565 45.909 1.00136.85 1SG 584 ATOM 584 N LEU 78 -125.420 -8.006 47.235 1.00132.39 1SG 585 ATOM 585 CA LEU 78 -126.239 -7.991 48.411 1.00132.39 1SG 586 ATOM 586 CB LEU 78 -125.843 -9.015 49.498 1.00132.39 1SG 587 ATOM 587 CG LEU 78 -126.750 -9.018 50.742 1.00132.39 1SG 588 ATOM 588 CD2 LEU 78 -126.083 -9.718 51.935 1.00132.39 1SG 589 ATOM 589 CD1 LEU 78 -128.125 -9.619 50.418 1.00132.39 1SG 590 ATOM 590 C LEU 78 -126.171 -6.623 48.981 1.00132.39 1SG 591 ATOM 591 O LEU 78 -126.958 -6.283 49.863 1.00132.39 1SG 592 ATOM 592 N ARG 79 -125.205 -5.808 48.522 1.00131.71 1SG 593 ATOM 593 CA ARG 79 -125.039 -4.482 49.051 1.00131.71 1SG 594 ATOM 594 CB ARG 79 -124.038 -3.608 48.268 1.00131.71 1SG 595 ATOM 595 CG ARG 79 -123.874 -2.200 48.851 1.00131.71 1SG 596 ATOM 596 CD ARG 79 -122.886 -1.310 48.091 1.00131.71 1SG 597 ATOM 597 NE ARG 79 -122.853 0.009 48.786 1.00131.71 1SG 598 ATOM 598 CZ ARG 79 -121.881 0.920 48.486 1.00131.71 1SG 599 ATOM 599 NH1 ARG 79 -120.959 0.645 47.518 1.00131.71 1SG 600 ATOM 600 NH2 ARG 79 -121.830 2.109 49.156 1.00131.71 1SG 601 ATOM 601 C ARG 79 -126.350 -3.773 48.937 1.00131.71 1SG 602 ATOM 602 O ARG 79 -126.735 -3.028 49.838 1.00131.71 1SG 603 ATOM 603 N ALA 80 -127.079 -3.982 47.826 1.00 23.96 1SG 604 ATOM 604 CA ALA 80 -128.336 -3.307 47.710 1.00 23.96 1SG 605 ATOM 605 CB ALA 80 -129.082 -3.633 46.405 1.00 23.96 1SG 606 ATOM 606 C ALA 80 -129.193 -3.746 48.860 1.00 23.96 1SG 607 ATOM 607 O ALA 80 -129.875 -2.935 49.483 1.00 23.96 1SG 608 ATOM 608 N TYR 81 -129.158 -5.055 49.179 1.00 49.02 1SG 609 ATOM 609 CA TYR 81 -129.926 -5.620 50.254 1.00 49.02 1SG 610 ATOM 610 CB TYR 81 -129.730 -7.148 50.344 1.00 49.02 1SG 611 ATOM 611 CG TYR 81 -130.608 -7.747 51.395 1.00 49.02 1SG 612 ATOM 612 CD1 TYR 81 -131.903 -8.108 51.098 1.00 49.02 1SG 613 ATOM 613 CD2 TYR 81 -130.137 -7.972 52.669 1.00 49.02 1SG 614 ATOM 614 CE1 TYR 81 -132.719 -8.671 52.053 1.00 49.02 1SG 615 ATOM 615 CE2 TYR 81 -130.948 -8.536 53.629 1.00 49.02 1SG 616 ATOM 616 CZ TYR 81 -132.242 -8.887 53.324 1.00 49.02 1SG 617 ATOM 617 OH TYR 81 -133.072 -9.465 54.310 1.00 49.02 1SG 618 ATOM 618 C TYR 81 -129.464 -5.023 51.558 1.00 49.02 1SG 619 ATOM 619 O TYR 81 -130.280 -4.586 52.367 1.00 49.02 1SG 620 ATOM 620 N ALA 82 -128.133 -4.980 51.793 1.00 31.44 1SG 621 ATOM 621 CA ALA 82 -127.612 -4.434 53.017 1.00 31.44 1SG 622 ATOM 622 CB ALA 82 -127.085 -5.505 53.987 1.00 31.44 1SG 623 ATOM 623 C ALA 82 -126.453 -3.549 52.672 1.00 31.44 1SG 624 ATOM 624 O ALA 82 -125.573 -3.926 51.902 1.00 31.44 1SG 625 ATOM 625 N LYS 83 -126.428 -2.340 53.261 1.00 66.38 1SG 626 ATOM 626 CA LYS 83 -125.420 -1.351 53.002 1.00 66.38 1SG 627 ATOM 627 CB LYS 83 -125.767 0.038 53.570 1.00 66.38 1SG 628 ATOM 628 CG LYS 83 -126.889 0.738 52.795 1.00 66.38 1SG 629 ATOM 629 CD LYS 83 -127.404 2.015 53.461 1.00 66.38 1SG 630 ATOM 630 CE LYS 83 -128.482 2.737 52.648 1.00 66.38 1SG 631 ATOM 631 NZ LYS 83 -128.925 3.954 53.365 1.00 66.38 1SG 632 ATOM 632 C LYS 83 -124.084 -1.764 53.542 1.00 66.38 1SG 633 ATOM 633 O LYS 83 -123.067 -1.397 52.955 1.00 66.38 1SG 634 ATOM 634 N ASP 84 -124.074 -2.534 54.657 1.00187.16 1SG 635 ATOM 635 CA ASP 84 -122.934 -2.954 55.447 1.00187.16 1SG 636 ATOM 636 CB ASP 84 -123.065 -4.370 56.034 1.00187.16 1SG 637 ATOM 637 CG ASP 84 -124.073 -4.298 57.172 1.00187.16 1SG 638 ATOM 638 OD1 ASP 84 -124.513 -3.162 57.495 1.00187.16 1SG 639 ATOM 639 OD2 ASP 84 -124.415 -5.372 57.735 1.00187.16 1SG 640 ATOM 640 C ASP 84 -121.622 -2.860 54.727 1.00187.16 1SG 641 ATOM 641 O ASP 84 -121.424 -3.411 53.646 1.00187.16 1SG 642 ATOM 642 N GLU 85 -120.706 -2.096 55.356 1.00148.12 1SG 643 ATOM 643 CA GLU 85 -119.376 -1.752 54.934 1.00148.12 1SG 644 ATOM 644 CB GLU 85 -118.747 -0.606 55.756 1.00148.12 1SG 645 ATOM 645 CG GLU 85 -118.287 -0.981 57.171 1.00148.12 1SG 646 ATOM 646 CD GLU 85 -119.456 -0.902 58.145 1.00148.12 1SG 647 ATOM 647 OE1 GLU 85 -120.629 -0.901 57.686 1.00148.12 1SG 648 ATOM 648 OE2 GLU 85 -119.185 -0.839 59.374 1.00148.12 1SG 649 ATOM 649 C GLU 85 -118.375 -2.883 54.969 1.00148.12 1SG 650 ATOM 650 O GLU 85 -117.467 -2.849 54.140 1.00148.12 1SG 651 ATOM 651 N PRO 86 -118.424 -3.884 55.821 1.00170.18 1SG 652 ATOM 652 CA PRO 86 -117.294 -4.769 55.928 1.00170.18 1SG 653 ATOM 653 CD PRO 86 -119.201 -3.868 57.056 1.00170.18 1SG 654 ATOM 654 CB PRO 86 -117.638 -5.735 57.063 1.00170.18 1SG 655 ATOM 655 CG PRO 86 -118.525 -4.884 57.992 1.00170.18 1SG 656 ATOM 656 C PRO 86 -116.683 -5.411 54.719 1.00170.18 1SG 657 ATOM 657 O PRO 86 -115.459 -5.351 54.615 1.00170.18 1SG 658 ATOM 658 N LEU 87 -117.444 -6.020 53.790 1.00261.91 1SG 659 ATOM 659 CA LEU 87 -116.739 -6.628 52.693 1.00261.91 1SG 660 ATOM 660 CB LEU 87 -117.425 -7.874 52.102 1.00261.91 1SG 661 ATOM 661 CG LEU 87 -117.542 -9.034 53.113 1.00261.91 1SG 662 ATOM 662 CD2 LEU 87 -117.928 -10.356 52.417 1.00261.91 1SG 663 ATOM 663 CD1 LEU 87 -118.480 -8.657 54.276 1.00261.91 1SG 664 ATOM 664 C LEU 87 -116.552 -5.612 51.614 1.00261.91 1SG 665 ATOM 665 O LEU 87 -117.341 -4.680 51.472 1.00261.91 1SG 666 ATOM 666 N TYR 88 -115.471 -5.766 50.825 1.00288.66 1SG 667 ATOM 667 CA TYR 88 -115.196 -4.833 49.776 1.00288.66 1SG 668 ATOM 668 CB TYR 88 -113.811 -4.176 49.898 1.00288.66 1SG 669 ATOM 669 CG TYR 88 -113.538 -3.437 48.629 1.00288.66 1SG 670 ATOM 670 CD1 TYR 88 -113.969 -2.148 48.434 1.00288.66 1SG 671 ATOM 671 CD2 TYR 88 -112.834 -4.057 47.616 1.00288.66 1SG 672 ATOM 672 CE1 TYR 88 -113.707 -1.483 47.256 1.00288.66 1SG 673 ATOM 673 CE2 TYR 88 -112.568 -3.400 46.437 1.00288.66 1SG 674 ATOM 674 CZ TYR 88 -112.999 -2.113 46.255 1.00288.66 1SG 675 ATOM 675 OH TYR 88 -112.727 -1.433 45.051 1.00288.66 1SG 676 ATOM 676 C TYR 88 -115.227 -5.556 48.471 1.00288.66 1SG 677 ATOM 677 O TYR 88 -114.532 -6.551 48.279 1.00288.66 1SG 678 ATOM 678 N ALA 89 -116.062 -5.059 47.536 1.00234.71 1SG 679 ATOM 679 CA ALA 89 -116.118 -5.626 46.223 1.00234.71 1SG 680 ATOM 680 CB ALA 89 -117.524 -6.026 45.744 1.00234.71 1SG 681 ATOM 681 C ALA 89 -115.726 -4.531 45.308 1.00234.71 1SG 682 ATOM 682 O ALA 89 -116.125 -3.386 45.499 1.00234.71 1SG 683 ATOM 683 N TRP 90 -114.902 -4.836 44.293 1.00276.38 1SG 684 ATOM 684 CA TRP 90 -114.627 -3.756 43.407 1.00276.38 1SG 685 ATOM 685 CB TRP 90 -113.126 -3.555 43.082 1.00276.38 1SG 686 ATOM 686 CG TRP 90 -112.810 -2.731 41.846 1.00276.38 1SG 687 ATOM 687 CD2 TRP 90 -112.934 -1.307 41.692 1.00276.38 1SG 688 ATOM 688 CD1 TRP 90 -112.409 -3.209 40.632 1.00276.38 1SG 689 ATOM 689 NE1 TRP 90 -112.268 -2.182 39.736 1.00276.38 1SG 690 ATOM 690 CE2 TRP 90 -112.592 -1.005 40.373 1.00276.38 1SG 691 ATOM 691 CE3 TRP 90 -113.312 -0.334 42.570 1.00276.38 1SG 692 ATOM 692 CZ2 TRP 90 -112.613 0.283 39.914 1.00276.38 1SG 693 ATOM 693 CZ3 TRP 90 -113.331 0.960 42.104 1.00276.38 1SG 694 ATOM 694 CH2 TRP 90 -112.989 1.263 40.803 1.00276.38 1SG 695 ATOM 695 C TRP 90 -115.427 -3.946 42.164 1.00276.38 1SG 696 ATOM 696 O TRP 90 -114.912 -4.271 41.097 1.00276.38 1SG 697 ATOM 697 N VAL 91 -116.762 -3.823 42.275 1.00132.67 1SG 698 ATOM 698 CA VAL 91 -117.395 -3.682 41.008 1.00132.67 1SG 699 ATOM 699 CB VAL 91 -118.885 -3.528 41.079 1.00132.67 1SG 700 ATOM 700 CG1 VAL 91 -119.400 -3.202 39.667 1.00132.67 1SG 701 ATOM 701 CG2 VAL 91 -119.495 -4.806 41.680 1.00132.67 1SG 702 ATOM 702 C VAL 91 -116.839 -2.354 40.659 1.00132.67 1SG 703 ATOM 703 O VAL 91 -116.183 -2.159 39.638 1.00132.67 1SG 704 ATOM 704 N LEU 92 -117.074 -1.421 41.604 1.00239.46 1SG 705 ATOM 705 CA LEU 92 -116.524 -0.103 41.652 1.00239.46 1SG 706 ATOM 706 CB LEU 92 -117.241 0.943 40.774 1.00239.46 1SG 707 ATOM 707 CG LEU 92 -117.205 0.661 39.259 1.00239.46 1SG 708 ATOM 708 CD2 LEU 92 -117.400 1.950 38.446 1.00239.46 1SG 709 ATOM 709 CD1 LEU 92 -118.187 -0.451 38.859 1.00239.46 1SG 710 ATOM 710 C LEU 92 -116.740 0.319 43.070 1.00239.46 1SG 711 ATOM 711 O LEU 92 -117.790 0.867 43.401 1.00239.46 1SG 712 ATOM 712 N GLU 93 -115.757 0.073 43.957 1.00260.95 1SG 713 ATOM 713 CA GLU 93 -115.950 0.441 45.328 1.00260.95 1SG 714 ATOM 714 CB GLU 93 -116.368 -0.725 46.237 1.00260.95 1SG 715 ATOM 715 CG GLU 93 -116.739 -0.267 47.647 1.00260.95 1SG 716 ATOM 716 CD GLU 93 -117.228 -1.475 48.431 1.00260.95 1SG 717 ATOM 717 OE1 GLU 93 -116.691 -2.590 48.205 1.00260.95 1SG 718 ATOM 718 OE2 GLU 93 -118.148 -1.295 49.272 1.00260.95 1SG 719 ATOM 719 C GLU 93 -114.665 1.010 45.828 1.00260.95 1SG 720 ATOM 720 O GLU 93 -113.653 0.983 45.133 1.00260.95 1SG 721 ATOM 721 N ASN 94 -114.672 1.572 47.053 1.00 76.91 1SG 722 ATOM 722 CA ASN 94 -113.470 2.202 47.513 1.00 76.91 1SG 723 ATOM 723 CB ASN 94 -113.665 3.659 47.959 1.00 76.91 1SG 724 ATOM 724 CG ASN 94 -112.281 4.233 48.225 1.00 76.91 1SG 725 ATOM 725 OD1 ASN 94 -111.544 4.557 47.296 1.00 76.91 1SG 726 ATOM 726 ND2 ASN 94 -111.916 4.361 49.529 1.00 76.91 1SG 727 ATOM 727 C ASN 94 -112.924 1.470 48.690 1.00 76.91 1SG 728 ATOM 728 O ASN 94 -113.657 0.850 49.459 1.00 76.91 1SG 729 ATOM 729 N ALA 95 -111.583 1.516 48.821 1.00 28.22 1SG 730 ATOM 730 CA ALA 95 -110.887 0.927 49.924 1.00 28.22 1SG 731 ATOM 731 CB ALA 95 -110.621 -0.578 49.750 1.00 28.22 1SG 732 ATOM 732 C ALA 95 -109.561 1.611 49.969 1.00 28.22 1SG 733 ATOM 733 O ALA 95 -109.107 2.159 48.966 1.00 28.22 1SG 734 ATOM 734 N PHE 96 -108.904 1.619 51.144 1.00 55.42 1SG 735 ATOM 735 CA PHE 96 -107.620 2.251 51.200 1.00 55.42 1SG 736 ATOM 736 CB PHE 96 -106.945 2.145 52.577 1.00 55.42 1SG 737 ATOM 737 CG PHE 96 -107.673 3.020 53.534 1.00 55.42 1SG 738 ATOM 738 CD1 PHE 96 -108.856 2.608 54.100 1.00 55.42 1SG 739 ATOM 739 CD2 PHE 96 -107.157 4.249 53.875 1.00 55.42 1SG 740 ATOM 740 CE1 PHE 96 -109.524 3.419 54.986 1.00 55.42 1SG 741 ATOM 741 CE2 PHE 96 -107.821 5.064 54.761 1.00 55.42 1SG 742 ATOM 742 CZ PHE 96 -109.006 4.648 55.318 1.00 55.42 1SG 743 ATOM 743 C PHE 96 -106.751 1.502 50.256 1.00 55.42 1SG 744 ATOM 744 O PHE 96 -106.110 2.083 49.381 1.00 55.42 1SG 745 ATOM 745 N ARG 97 -106.742 0.167 50.399 1.00241.35 1SG 746 ATOM 746 CA ARG 97 -105.933 -0.642 49.547 1.00241.35 1SG 747 ATOM 747 CB ARG 97 -104.606 -1.091 50.180 1.00241.35 1SG 748 ATOM 748 CG ARG 97 -103.700 0.103 50.496 1.00241.35 1SG 749 ATOM 749 CD ARG 97 -102.225 -0.246 50.697 1.00241.35 1SG 750 ATOM 750 NE ARG 97 -101.539 -0.022 49.393 1.00241.35 1SG 751 ATOM 751 CZ ARG 97 -100.317 0.586 49.358 1.00241.35 1SG 752 ATOM 752 NH1 ARG 97 -99.718 0.981 50.519 1.00241.35 1SG 753 ATOM 753 NH2 ARG 97 -99.696 0.804 48.162 1.00241.35 1SG 754 ATOM 754 C ARG 97 -106.751 -1.834 49.194 1.00241.35 1SG 755 ATOM 755 O ARG 97 -107.950 -1.878 49.467 1.00241.35 1SG 756 ATOM 756 N TYR 98 -106.124 -2.839 48.564 1.00 83.12 1SG 757 ATOM 757 CA TYR 98 -106.913 -3.931 48.092 1.00 83.12 1SG 758 ATOM 758 CB TYR 98 -106.363 -4.473 46.769 1.00 83.12 1SG 759 ATOM 759 CG TYR 98 -106.288 -3.315 45.835 1.00 83.12 1SG 760 ATOM 760 CD1 TYR 98 -107.380 -2.924 45.097 1.00 83.12 1SG 761 ATOM 761 CD2 TYR 98 -105.113 -2.609 45.710 1.00 83.12 1SG 762 ATOM 762 CE1 TYR 98 -107.306 -1.856 44.237 1.00 83.12 1SG 763 ATOM 763 CE2 TYR 98 -105.032 -1.537 44.850 1.00 83.12 1SG 764 ATOM 764 CZ TYR 98 -106.129 -1.158 44.114 1.00 83.12 1SG 765 ATOM 765 OH TYR 98 -106.050 -0.058 43.231 1.00 83.12 1SG 766 ATOM 766 C TYR 98 -106.818 -5.049 49.073 1.00 83.12 1SG 767 ATOM 767 O TYR 98 -105.943 -5.907 48.961 1.00 83.12 1SG 768 ATOM 768 N GLU 99 -107.720 -5.071 50.072 1.00 52.73 1SG 769 ATOM 769 CA GLU 99 -107.705 -6.195 50.955 1.00 52.73 1SG 770 ATOM 770 CB GLU 99 -108.706 -6.063 52.116 1.00 52.73 1SG 771 ATOM 771 CG GLU 99 -108.307 -4.987 53.129 1.00 52.73 1SG 772 ATOM 772 CD GLU 99 -109.379 -4.915 54.206 1.00 52.73 1SG 773 ATOM 773 OE1 GLU 99 -110.371 -5.687 54.108 1.00 52.73 1SG 774 ATOM 774 OE2 GLU 99 -109.224 -4.082 55.137 1.00 52.73 1SG 775 ATOM 775 C GLU 99 -108.106 -7.351 50.105 1.00 52.73 1SG 776 ATOM 776 O GLU 99 -107.448 -8.390 50.083 1.00 52.73 1SG 777 ATOM 777 N LYS 100 -109.209 -7.174 49.352 1.00139.00 1SG 778 ATOM 778 CA LYS 100 -109.630 -8.179 48.427 1.00139.00 1SG 779 ATOM 779 CB LYS 100 -110.568 -9.234 49.039 1.00139.00 1SG 780 ATOM 780 CG LYS 100 -109.870 -10.188 50.010 1.00139.00 1SG 781 ATOM 781 CD LYS 100 -110.833 -11.031 50.847 1.00139.00 1SG 782 ATOM 782 CE LYS 100 -110.126 -12.000 51.799 1.00139.00 1SG 783 ATOM 783 NZ LYS 100 -111.123 -12.777 52.570 1.00139.00 1SG 784 ATOM 784 C LYS 100 -110.413 -7.486 47.366 1.00139.00 1SG 785 ATOM 785 O LYS 100 -111.613 -7.712 47.218 1.00139.00 1SG 786 ATOM 786 N PRO 101 -109.768 -6.648 46.614 1.00111.96 1SG 787 ATOM 787 CA PRO 101 -110.455 -5.964 45.564 1.00111.96 1SG 788 ATOM 788 CD PRO 101 -108.353 -6.785 46.322 1.00111.96 1SG 789 ATOM 789 CB PRO 101 -109.393 -5.168 44.834 1.00111.96 1SG 790 ATOM 790 CG PRO 101 -108.166 -6.093 44.956 1.00111.96 1SG 791 ATOM 791 C PRO 101 -110.909 -7.044 44.648 1.00111.96 1SG 792 ATOM 792 O PRO 101 -110.193 -8.034 44.509 1.00111.96 1SG 793 ATOM 793 N LEU 102 -112.084 -6.890 44.025 1.00215.31 1SG 794 ATOM 794 CA LEU 102 -112.471 -7.857 43.052 1.00215.31 1SG 795 ATOM 795 CB LEU 102 -113.845 -8.507 43.292 1.00215.31 1SG 796 ATOM 796 CG LEU 102 -113.889 -9.404 44.544 1.00215.31 1SG 797 ATOM 797 CD2 LEU 102 -112.688 -10.367 44.597 1.00215.31 1SG 798 ATOM 798 CD1 LEU 102 -115.244 -10.125 44.670 1.00215.31 1SG 799 ATOM 799 C LEU 102 -112.516 -7.104 41.768 1.00215.31 1SG 800 ATOM 800 O LEU 102 -112.531 -5.876 41.772 1.00215.31 1SG 801 ATOM 801 N HIS 103 -112.490 -7.812 40.623 1.00135.96 1SG 802 ATOM 802 CA HIS 103 -112.519 -7.128 39.365 1.00135.96 1SG 803 ATOM 803 ND1 HIS 103 -114.340 -5.843 36.824 1.00135.96 1SG 804 ATOM 804 CG HIS 103 -113.586 -5.378 37.879 1.00135.96 1SG 805 ATOM 805 CB HIS 103 -113.565 -5.999 39.239 1.00135.96 1SG 806 ATOM 806 NE2 HIS 103 -113.230 -4.069 36.076 1.00135.96 1SG 807 ATOM 807 CD2 HIS 103 -112.914 -4.292 37.402 1.00135.96 1SG 808 ATOM 808 CE1 HIS 103 -114.091 -5.025 35.772 1.00135.96 1SG 809 ATOM 809 C HIS 103 -111.217 -6.458 39.165 1.00135.96 1SG 810 ATOM 810 O HIS 103 -110.567 -6.020 40.118 1.00135.96 1SG 811 ATOM 811 N VAL 104 -110.788 -6.389 37.896 1.00 45.74 1SG 812 ATOM 812 CA VAL 104 -109.604 -5.658 37.584 1.00 45.74 1SG 813 ATOM 813 CB VAL 104 -108.371 -6.500 37.526 1.00 45.74 1SG 814 ATOM 814 CG1 VAL 104 -107.197 -5.578 37.149 1.00 45.74 1SG 815 ATOM 815 CG2 VAL 104 -108.191 -7.216 38.873 1.00 45.74 1SG 816 ATOM 816 C VAL 104 -109.820 -5.059 36.237 1.00 45.74 1SG 817 ATOM 817 O VAL 104 -110.463 -5.645 35.364 1.00 45.74 1SG 818 ATOM 818 N PRO 105 -109.316 -3.875 36.076 1.00 74.53 1SG 819 ATOM 819 CA PRO 105 -109.388 -3.190 34.820 1.00 74.53 1SG 820 ATOM 820 CD PRO 105 -109.199 -2.951 37.192 1.00 74.53 1SG 821 ATOM 821 CB PRO 105 -109.080 -1.720 35.115 1.00 74.53 1SG 822 ATOM 822 CG PRO 105 -108.556 -1.708 36.565 1.00 74.53 1SG 823 ATOM 823 C PRO 105 -108.444 -3.832 33.865 1.00 74.53 1SG 824 ATOM 824 O PRO 105 -108.472 -3.502 32.679 1.00 74.53 1SG 825 ATOM 825 N ARG 106 -107.597 -4.754 34.359 1.00 72.23 1SG 826 ATOM 826 CA ARG 106 -106.616 -5.356 33.510 1.00 72.23 1SG 827 ATOM 827 CB ARG 106 -105.811 -6.479 34.184 1.00 72.23 1SG 828 ATOM 828 CG ARG 106 -104.917 -6.020 35.337 1.00 72.23 1SG 829 ATOM 829 CD ARG 106 -104.306 -7.189 36.111 1.00 72.23 1SG 830 ATOM 830 NE ARG 106 -103.665 -6.642 37.339 1.00 72.23 1SG 831 ATOM 831 CZ ARG 106 -103.819 -7.298 38.527 1.00 72.23 1SG 832 ATOM 832 NH1 ARG 106 -104.569 -8.438 38.582 1.00 72.23 1SG 833 ATOM 833 NH2 ARG 106 -103.228 -6.817 39.659 1.00 72.23 1SG 834 ATOM 834 C ARG 106 -107.314 -5.972 32.349 1.00 72.23 1SG 835 ATOM 835 O ARG 106 -108.372 -6.586 32.480 1.00 72.23 1SG 836 ATOM 836 N ARG 107 -106.712 -5.788 31.162 1.00 58.34 1SG 837 ATOM 837 CA ARG 107 -107.199 -6.337 29.937 1.00 58.34 1SG 838 ATOM 838 CB ARG 107 -107.654 -5.259 28.937 1.00 58.34 1SG 839 ATOM 839 CG ARG 107 -108.924 -4.524 29.373 1.00 58.34 1SG 840 ATOM 840 CD ARG 107 -109.384 -3.450 28.385 1.00 58.34 1SG 841 ATOM 841 NE ARG 107 -108.356 -2.373 28.381 1.00 58.34 1SG 842 ATOM 842 CZ ARG 107 -108.486 -1.307 27.539 1.00 58.34 1SG 843 ATOM 843 NH1 ARG 107 -109.557 -1.229 26.697 1.00 58.34 1SG 844 ATOM 844 NH2 ARG 107 -107.546 -0.317 27.541 1.00 58.34 1SG 845 ATOM 845 C ARG 107 -106.019 -7.049 29.361 1.00 58.34 1SG 846 ATOM 846 O ARG 107 -104.893 -6.781 29.778 1.00 58.34 1SG 847 ATOM 847 N PRO 108 -106.230 -7.961 28.445 1.00 51.87 1SG 848 ATOM 848 CA PRO 108 -105.144 -8.709 27.872 1.00 51.87 1SG 849 ATOM 849 CD PRO 108 -107.391 -7.940 27.569 1.00 51.87 1SG 850 ATOM 850 CB PRO 108 -105.763 -9.531 26.746 1.00 51.87 1SG 851 ATOM 851 CG PRO 108 -106.940 -8.654 26.283 1.00 51.87 1SG 852 ATOM 852 C PRO 108 -104.125 -7.752 27.345 1.00 51.87 1SG 853 ATOM 853 O PRO 108 -102.943 -8.089 27.344 1.00 51.87 1SG 854 ATOM 854 N GLY 109 -104.566 -6.564 26.887 1.00 5.94 1SG 855 ATOM 855 CA GLY 109 -103.656 -5.573 26.396 1.00 5.94 1SG 856 ATOM 856 C GLY 109 -102.762 -6.217 25.347 1.00 5.94 1SG 857 ATOM 857 O GLY 109 -103.147 -7.295 24.821 1.00 5.94 1SG 858 ATOM 858 OXT GLY 109 -101.682 -5.637 25.056 1.00 5.94 1SG 859 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.615 REMARK SCORE 0.615 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 9 PARENT 1REG_X ATOM 1 N LYS 5 31.192 53.890 20.692 1.00 85.05 1SG 2 ATOM 2 CA LYS 5 29.829 53.444 21.058 1.00 85.05 1SG 3 ATOM 3 CB LYS 5 29.662 53.413 22.588 1.00 85.05 1SG 4 ATOM 4 CG LYS 5 28.285 52.952 23.075 1.00 85.05 1SG 5 ATOM 5 CD LYS 5 28.254 52.609 24.568 1.00 85.05 1SG 6 ATOM 6 CE LYS 5 28.505 53.809 25.485 1.00 85.05 1SG 7 ATOM 7 NZ LYS 5 28.457 53.380 26.902 1.00 85.05 1SG 8 ATOM 8 C LYS 5 28.814 54.379 20.506 1.00 85.05 1SG 9 ATOM 9 O LYS 5 29.007 55.595 20.494 1.00 85.05 1SG 10 ATOM 10 N LEU 6 27.702 53.817 20.004 1.00123.42 1SG 11 ATOM 11 CA LEU 6 26.653 54.640 19.489 1.00123.42 1SG 12 ATOM 12 CB LEU 6 26.334 54.396 18.005 1.00123.42 1SG 13 ATOM 13 CG LEU 6 25.200 55.294 17.472 1.00123.42 1SG 14 ATOM 14 CD2 LEU 6 24.713 54.831 16.089 1.00123.42 1SG 15 ATOM 15 CD1 LEU 6 25.602 56.778 17.500 1.00123.42 1SG 16 ATOM 16 C LEU 6 25.417 54.296 20.247 1.00123.42 1SG 17 ATOM 17 O LEU 6 25.261 53.163 20.702 1.00123.42 1SG 18 ATOM 18 N GLY 7 24.514 55.281 20.426 1.00 25.57 1SG 19 ATOM 19 CA GLY 7 23.277 54.985 21.082 1.00 25.57 1SG 20 ATOM 20 C GLY 7 22.549 54.107 20.129 1.00 25.57 1SG 21 ATOM 21 O GLY 7 22.677 54.262 18.915 1.00 25.57 1SG 22 ATOM 22 N LEU 8 21.770 53.147 20.653 1.00106.01 1SG 23 ATOM 23 CA LEU 8 21.123 52.254 19.748 1.00106.01 1SG 24 ATOM 24 CB LEU 8 21.949 50.965 19.591 1.00106.01 1SG 25 ATOM 25 CG LEU 8 21.663 50.143 18.333 1.00106.01 1SG 26 ATOM 26 CD2 LEU 8 22.129 48.688 18.478 1.00106.01 1SG 27 ATOM 27 CD1 LEU 8 22.280 50.856 17.117 1.00106.01 1SG 28 ATOM 28 C LEU 8 19.820 51.892 20.392 1.00106.01 1SG 29 ATOM 29 O LEU 8 19.739 51.756 21.613 1.00106.01 1SG 30 ATOM 30 N ILE 9 18.749 51.766 19.586 1.00 90.73 1SG 31 ATOM 31 CA ILE 9 17.497 51.318 20.120 1.00 90.73 1SG 32 ATOM 32 CB ILE 9 16.391 52.321 19.993 1.00 90.73 1SG 33 ATOM 33 CG2 ILE 9 16.073 52.484 18.498 1.00 90.73 1SG 34 ATOM 34 CG1 ILE 9 15.187 51.905 20.854 1.00 90.73 1SG 35 ATOM 35 CD1 ILE 9 14.078 52.957 20.898 1.00 90.73 1SG 36 ATOM 36 C ILE 9 17.110 50.109 19.321 1.00 90.73 1SG 37 ATOM 37 O ILE 9 17.311 50.066 18.110 1.00 90.73 1SG 38 ATOM 38 N VAL 10 16.555 49.059 19.954 1.00 38.64 1SG 39 ATOM 39 CA VAL 10 16.262 47.920 19.129 1.00 38.64 1SG 40 ATOM 40 CB VAL 10 17.072 46.700 19.458 1.00 38.64 1SG 41 ATOM 41 CG1 VAL 10 16.702 45.594 18.454 1.00 38.64 1SG 42 ATOM 42 CG2 VAL 10 18.561 47.068 19.532 1.00 38.64 1SG 43 ATOM 43 C VAL 10 14.852 47.520 19.404 1.00 38.64 1SG 44 ATOM 44 O VAL 10 14.326 47.783 20.484 1.00 38.64 1SG 45 ATOM 45 N ARG 11 14.192 46.878 18.422 1.00 91.87 1SG 46 ATOM 46 CA ARG 11 12.864 46.411 18.673 1.00 91.87 1SG 47 ATOM 47 CB ARG 11 12.221 45.677 17.480 1.00 91.87 1SG 48 ATOM 48 CG ARG 11 11.666 46.579 16.373 1.00 91.87 1SG 49 ATOM 49 CD ARG 11 12.717 47.219 15.467 1.00 91.87 1SG 50 ATOM 50 NE ARG 11 11.975 47.873 14.351 1.00 91.87 1SG 51 ATOM 51 CZ ARG 11 11.556 47.123 13.289 1.00 91.87 1SG 52 ATOM 52 NH1 ARG 11 11.835 45.787 13.254 1.00 91.87 1SG 53 ATOM 53 NH2 ARG 11 10.855 47.702 12.271 1.00 91.87 1SG 54 ATOM 54 C ARG 11 12.955 45.411 19.780 1.00 91.87 1SG 55 ATOM 55 O ARG 11 12.146 45.431 20.707 1.00 91.87 1SG 56 ATOM 56 N GLU 12 13.956 44.508 19.722 1.00 80.89 1SG 57 ATOM 57 CA GLU 12 14.046 43.510 20.747 1.00 80.89 1SG 58 ATOM 58 CB GLU 12 13.120 42.305 20.489 1.00 80.89 1SG 59 ATOM 59 CG GLU 12 13.297 41.645 19.123 1.00 80.89 1SG 60 ATOM 60 CD GLU 12 12.080 40.756 18.903 1.00 80.89 1SG 61 ATOM 61 OE1 GLU 12 11.164 40.794 19.767 1.00 80.89 1SG 62 ATOM 62 OE2 GLU 12 12.044 40.034 17.871 1.00 80.89 1SG 63 ATOM 63 C GLU 12 15.472 43.063 20.900 1.00 80.89 1SG 64 ATOM 64 O GLU 12 16.379 43.520 20.210 1.00 80.89 1SG 65 ATOM 65 N PRO 13 15.661 42.185 21.846 1.00 67.66 1SG 66 ATOM 66 CA PRO 13 16.973 41.681 22.184 1.00 67.66 1SG 67 ATOM 67 CD PRO 13 14.791 42.226 23.013 1.00 67.66 1SG 68 ATOM 68 CB PRO 13 16.821 41.020 23.553 1.00 67.66 1SG 69 ATOM 69 CG PRO 13 15.652 41.780 24.202 1.00 67.66 1SG 70 ATOM 70 C PRO 13 17.609 40.781 21.163 1.00 67.66 1SG 71 ATOM 71 O PRO 13 18.726 40.324 21.400 1.00 67.66 1SG 72 ATOM 72 N TYR 14 16.946 40.527 20.024 1.00104.35 1SG 73 ATOM 73 CA TYR 14 17.403 39.589 19.034 1.00104.35 1SG 74 ATOM 74 CB TYR 14 16.475 39.519 17.810 1.00104.35 1SG 75 ATOM 75 CG TYR 14 17.135 38.615 16.829 1.00104.35 1SG 76 ATOM 76 CD1 TYR 14 17.023 37.249 16.946 1.00104.35 1SG 77 ATOM 77 CD2 TYR 14 17.871 39.139 15.791 1.00104.35 1SG 78 ATOM 78 CE1 TYR 14 17.637 36.417 16.039 1.00104.35 1SG 79 ATOM 79 CE2 TYR 14 18.487 38.313 14.881 1.00104.35 1SG 80 ATOM 80 CZ TYR 14 18.371 36.950 15.006 1.00104.35 1SG 81 ATOM 81 OH TYR 14 19.004 36.100 14.074 1.00104.35 1SG 82 ATOM 82 C TYR 14 18.776 39.931 18.522 1.00104.35 1SG 83 ATOM 83 O TYR 14 19.569 39.036 18.235 1.00104.35 1SG 84 ATOM 84 N ALA 15 19.108 41.227 18.413 1.00 49.80 1SG 85 ATOM 85 CA ALA 15 20.314 41.685 17.774 1.00 49.80 1SG 86 ATOM 86 CB ALA 15 20.458 43.215 17.825 1.00 49.80 1SG 87 ATOM 87 C ALA 15 21.564 41.106 18.377 1.00 49.80 1SG 88 ATOM 88 O ALA 15 22.524 40.841 17.658 1.00 49.80 1SG 89 ATOM 89 N SER 16 21.608 40.873 19.697 1.00 77.89 1SG 90 ATOM 90 CA SER 16 22.844 40.487 20.326 1.00 77.89 1SG 91 ATOM 91 CB SER 16 22.663 40.181 21.824 1.00 77.89 1SG 92 ATOM 92 OG SER 16 23.906 39.805 22.398 1.00 77.89 1SG 93 ATOM 93 C SER 16 23.469 39.264 19.704 1.00 77.89 1SG 94 ATOM 94 O SER 16 24.690 39.202 19.577 1.00 77.89 1SG 95 ATOM 95 N LEU 17 22.670 38.269 19.276 1.00130.78 1SG 96 ATOM 96 CA LEU 17 23.200 37.003 18.825 1.00130.78 1SG 97 ATOM 97 CB LEU 17 22.075 36.017 18.465 1.00130.78 1SG 98 ATOM 98 CG LEU 17 22.573 34.645 17.974 1.00130.78 1SG 99 ATOM 99 CD2 LEU 17 21.418 33.809 17.396 1.00130.78 1SG 100 ATOM 100 CD1 LEU 17 23.352 33.911 19.076 1.00130.78 1SG 101 ATOM 101 C LEU 17 24.087 37.117 17.613 1.00130.78 1SG 102 ATOM 102 O LEU 17 25.163 36.523 17.566 1.00130.78 1SG 103 ATOM 103 N ILE 18 23.667 37.909 16.616 1.00106.06 1SG 104 ATOM 104 CA ILE 18 24.277 38.031 15.315 1.00106.06 1SG 105 ATOM 105 CB ILE 18 23.477 38.939 14.442 1.00106.06 1SG 106 ATOM 106 CG2 ILE 18 23.454 40.299 15.144 1.00106.06 1SG 107 ATOM 107 CG1 ILE 18 24.015 38.959 13.004 1.00106.06 1SG 108 ATOM 108 CD1 ILE 18 23.059 39.623 12.014 1.00106.06 1SG 109 ATOM 109 C ILE 18 25.685 38.557 15.354 1.00106.06 1SG 110 ATOM 110 O ILE 18 26.526 38.141 14.557 1.00106.06 1SG 111 ATOM 111 N VAL 19 25.979 39.469 16.293 1.00 68.95 1SG 112 ATOM 112 CA VAL 19 27.204 40.220 16.353 1.00 68.95 1SG 113 ATOM 113 CB VAL 19 27.255 41.130 17.545 1.00 68.95 1SG 114 ATOM 114 CG1 VAL 19 28.645 41.783 17.612 1.00 68.95 1SG 115 ATOM 115 CG2 VAL 19 26.101 42.141 17.430 1.00 68.95 1SG 116 ATOM 116 C VAL 19 28.420 39.346 16.397 1.00 68.95 1SG 117 ATOM 117 O VAL 19 29.486 39.773 15.953 1.00 68.95 1SG 118 ATOM 118 N ASP 20 28.308 38.095 16.876 1.00148.52 1SG 119 ATOM 119 CA ASP 20 29.480 37.308 17.151 1.00148.52 1SG 120 ATOM 120 CB ASP 20 29.185 35.898 17.682 1.00148.52 1SG 121 ATOM 121 CG ASP 20 30.481 35.324 18.235 1.00148.52 1SG 122 ATOM 122 OD1 ASP 20 31.344 34.905 17.420 1.00148.52 1SG 123 ATOM 123 OD2 ASP 20 30.621 35.287 19.487 1.00148.52 1SG 124 ATOM 124 C ASP 20 30.417 37.204 15.982 1.00148.52 1SG 125 ATOM 125 O ASP 20 31.624 37.104 16.202 1.00148.52 1SG 126 ATOM 126 N GLY 21 29.976 37.266 14.710 1.00278.15 1SG 127 ATOM 127 CA GLY 21 31.086 37.121 13.814 1.00278.15 1SG 128 ATOM 128 C GLY 21 30.724 36.690 12.428 1.00278.15 1SG 129 ATOM 129 O GLY 21 29.573 36.734 12.001 1.00278.15 1SG 130 ATOM 130 N ARG 22 31.781 36.277 11.698 1.00291.88 1SG 131 ATOM 131 CA ARG 22 31.864 36.131 10.270 1.00291.88 1SG 132 ATOM 132 CB ARG 22 33.273 36.541 9.800 1.00291.88 1SG 133 ATOM 133 CG ARG 22 33.769 36.217 8.397 1.00291.88 1SG 134 ATOM 134 CD ARG 22 34.792 37.259 7.931 1.00291.88 1SG 135 ATOM 135 NE ARG 22 35.057 37.033 6.485 1.00291.88 1SG 136 ATOM 136 CZ ARG 22 36.209 37.515 5.935 1.00291.88 1SG 137 ATOM 137 NH1 ARG 22 37.106 38.176 6.722 1.00291.88 1SG 138 ATOM 138 NH2 ARG 22 36.469 37.346 4.605 1.00291.88 1SG 139 ATOM 139 C ARG 22 31.687 34.784 9.668 1.00291.88 1SG 140 ATOM 140 O ARG 22 32.526 33.902 9.819 1.00291.88 1SG 141 ATOM 141 N LYS 23 30.568 34.549 8.966 1.00143.65 1SG 142 ATOM 142 CA LYS 23 30.855 33.547 7.996 1.00143.65 1SG 143 ATOM 143 CB LYS 23 29.753 33.247 6.978 1.00143.65 1SG 144 ATOM 144 CG LYS 23 30.337 32.419 5.827 1.00143.65 1SG 145 ATOM 145 CD LYS 23 29.445 32.283 4.589 1.00143.65 1SG 146 ATOM 146 CE LYS 23 28.220 31.381 4.733 1.00143.65 1SG 147 ATOM 147 NZ LYS 23 27.429 31.425 3.479 1.00143.65 1SG 148 ATOM 148 C LYS 23 31.763 34.403 7.196 1.00143.65 1SG 149 ATOM 149 O LYS 23 32.869 34.038 6.802 1.00143.65 1SG 150 ATOM 150 N VAL 24 31.217 35.621 6.994 1.00146.11 1SG 151 ATOM 151 CA VAL 24 31.748 36.799 6.388 1.00146.11 1SG 152 ATOM 152 CB VAL 24 31.250 36.901 4.967 1.00146.11 1SG 153 ATOM 153 CG1 VAL 24 29.897 36.188 4.893 1.00146.11 1SG 154 ATOM 154 CG2 VAL 24 31.149 38.364 4.532 1.00146.11 1SG 155 ATOM 155 C VAL 24 31.302 37.928 7.305 1.00146.11 1SG 156 ATOM 156 O VAL 24 30.110 38.191 7.431 1.00146.11 1SG 157 ATOM 157 N TRP 25 32.255 38.563 8.044 1.00225.29 1SG 158 ATOM 158 CA TRP 25 32.023 39.681 8.939 1.00225.29 1SG 159 ATOM 159 CB TRP 25 30.796 39.543 9.848 1.00225.29 1SG 160 ATOM 160 CG TRP 25 30.959 40.453 11.033 1.00225.29 1SG 161 ATOM 161 CD2 TRP 25 31.195 41.865 10.929 1.00225.29 1SG 162 ATOM 162 CD1 TRP 25 31.088 40.136 12.352 1.00225.29 1SG 163 ATOM 163 NE1 TRP 25 31.391 41.262 13.077 1.00225.29 1SG 164 ATOM 164 CE2 TRP 25 31.463 42.333 12.213 1.00225.29 1SG 165 ATOM 165 CE3 TRP 25 31.218 42.695 9.847 1.00225.29 1SG 166 ATOM 166 CZ2 TRP 25 31.759 43.648 12.437 1.00225.29 1SG 167 ATOM 167 CZ3 TRP 25 31.485 44.026 10.080 1.00225.29 1SG 168 ATOM 168 CH2 TRP 25 31.751 44.494 11.350 1.00225.29 1SG 169 ATOM 169 C TRP 25 33.194 39.882 9.863 1.00225.29 1SG 170 ATOM 170 O TRP 25 33.461 39.053 10.720 1.00225.29 1SG 171 ATOM 171 N GLU 26 33.886 41.035 9.809 1.00169.04 1SG 172 ATOM 172 CA GLU 26 35.074 41.236 10.610 1.00169.04 1SG 173 ATOM 173 CB GLU 26 34.890 41.426 12.145 1.00169.04 1SG 174 ATOM 174 CG GLU 26 34.334 40.272 12.986 1.00169.04 1SG 175 ATOM 175 CD GLU 26 34.096 40.788 14.402 1.00169.04 1SG 176 ATOM 176 OE1 GLU 26 34.931 41.598 14.888 1.00169.04 1SG 177 ATOM 177 OE2 GLU 26 33.072 40.381 15.014 1.00169.04 1SG 178 ATOM 178 C GLU 26 36.111 40.201 10.266 1.00169.04 1SG 179 ATOM 179 O GLU 26 35.826 39.188 9.629 1.00169.04 1SG 180 ATOM 180 N ILE 27 37.372 40.448 10.675 1.00 72.40 1SG 181 ATOM 181 CA ILE 27 38.463 39.639 10.211 1.00 72.40 1SG 182 ATOM 182 CB ILE 27 39.793 40.088 10.735 1.00 72.40 1SG 183 ATOM 183 CG2 ILE 27 40.866 39.098 10.249 1.00 72.40 1SG 184 ATOM 184 CG1 ILE 27 40.040 41.535 10.276 1.00 72.40 1SG 185 ATOM 185 CD1 ILE 27 41.203 42.232 10.977 1.00 72.40 1SG 186 ATOM 186 C ILE 27 38.250 38.218 10.586 1.00 72.40 1SG 187 ATOM 187 O ILE 27 38.075 37.885 11.756 1.00 72.40 1SG 188 ATOM 188 N ARG 28 38.287 37.346 9.558 1.00111.46 1SG 189 ATOM 189 CA ARG 28 38.054 35.938 9.680 1.00111.46 1SG 190 ATOM 190 CB ARG 28 36.959 35.438 8.729 1.00111.46 1SG 191 ATOM 191 CG ARG 28 36.944 33.923 8.510 1.00111.46 1SG 192 ATOM 192 CD ARG 28 35.909 33.475 7.473 1.00111.46 1SG 193 ATOM 193 NE ARG 28 36.079 32.011 7.249 1.00111.46 1SG 194 ATOM 194 CZ ARG 28 35.658 31.456 6.075 1.00111.46 1SG 195 ATOM 195 NH1 ARG 28 35.101 32.247 5.112 1.00111.46 1SG 196 ATOM 196 NH2 ARG 28 35.804 30.115 5.861 1.00111.46 1SG 197 ATOM 197 C ARG 28 39.279 35.211 9.255 1.00111.46 1SG 198 ATOM 198 O ARG 28 40.036 35.671 8.401 1.00111.46 1SG 199 ATOM 199 N ARG 29 39.518 34.048 9.883 1.00109.06 1SG 200 ATOM 200 CA ARG 29 40.584 33.233 9.404 1.00109.06 1SG 201 ATOM 201 CB ARG 29 41.550 32.746 10.498 1.00109.06 1SG 202 ATOM 202 CG ARG 29 42.778 32.021 9.939 1.00109.06 1SG 203 ATOM 203 CD ARG 29 43.832 31.693 10.999 1.00109.06 1SG 204 ATOM 204 NE ARG 29 44.966 30.994 10.327 1.00109.06 1SG 205 ATOM 205 CZ ARG 29 46.105 30.723 11.030 1.00109.06 1SG 206 ATOM 206 NH1 ARG 29 46.208 31.118 12.332 1.00109.06 1SG 207 ATOM 207 NH2 ARG 29 47.146 30.068 10.436 1.00109.06 1SG 208 ATOM 208 C ARG 29 39.897 32.047 8.822 1.00109.06 1SG 209 ATOM 209 O ARG 29 39.343 31.218 9.544 1.00109.06 1SG 210 ATOM 210 N ARG 30 39.868 31.972 7.480 1.00 47.73 1SG 211 ATOM 211 CA ARG 30 39.218 30.875 6.834 1.00 47.73 1SG 212 ATOM 212 CB ARG 30 39.169 31.009 5.302 1.00 47.73 1SG 213 ATOM 213 CG ARG 30 38.237 32.112 4.799 1.00 47.73 1SG 214 ATOM 214 CD ARG 30 38.043 32.095 3.280 1.00 47.73 1SG 215 ATOM 215 NE ARG 30 37.067 33.167 2.933 1.00 47.73 1SG 216 ATOM 216 CZ ARG 30 36.391 33.115 1.747 1.00 47.73 1SG 217 ATOM 217 NH1 ARG 30 36.601 32.076 0.887 1.00 47.73 1SG 218 ATOM 218 NH2 ARG 30 35.502 34.099 1.424 1.00 47.73 1SG 219 ATOM 219 C ARG 30 39.991 29.636 7.132 1.00 47.73 1SG 220 ATOM 220 O ARG 30 39.418 28.589 7.430 1.00 47.73 1SG 221 ATOM 221 N LYS 31 41.332 29.741 7.085 1.00 71.64 1SG 222 ATOM 222 CA LYS 31 42.165 28.585 7.223 1.00 71.64 1SG 223 ATOM 223 CB LYS 31 43.668 28.887 7.110 1.00 71.64 1SG 224 ATOM 224 CG LYS 31 44.110 29.268 5.699 1.00 71.64 1SG 225 ATOM 225 CD LYS 31 45.598 29.601 5.609 1.00 71.64 1SG 226 ATOM 226 CE LYS 31 46.488 28.369 5.770 1.00 71.64 1SG 227 ATOM 227 NZ LYS 31 47.909 28.760 5.664 1.00 71.64 1SG 228 ATOM 228 C LYS 31 41.966 27.933 8.548 1.00 71.64 1SG 229 ATOM 229 O LYS 31 41.791 26.717 8.614 1.00 71.64 1SG 230 ATOM 230 N THR 32 41.967 28.701 9.650 1.00141.36 1SG 231 ATOM 231 CA THR 32 41.844 27.994 10.885 1.00141.36 1SG 232 ATOM 232 CB THR 32 42.619 28.610 12.012 1.00141.36 1SG 233 ATOM 233 OG1 THR 32 42.653 27.723 13.120 1.00141.36 1SG 234 ATOM 234 CG2 THR 32 41.938 29.928 12.419 1.00141.36 1SG 235 ATOM 235 C THR 32 40.415 28.030 11.277 1.00141.36 1SG 236 ATOM 236 O THR 32 40.100 27.875 12.456 1.00141.36 1SG 237 ATOM 237 N ARG 33 39.532 28.200 10.268 1.00116.84 1SG 238 ATOM 238 CA ARG 33 38.108 28.217 10.431 1.00116.84 1SG 239 ATOM 239 CB ARG 33 37.431 26.832 10.386 1.00116.84 1SG 240 ATOM 240 CG ARG 33 37.283 26.282 8.963 1.00116.84 1SG 241 ATOM 241 CD ARG 33 36.332 25.087 8.837 1.00116.84 1SG 242 ATOM 242 NE ARG 33 36.112 24.862 7.380 1.00116.84 1SG 243 ATOM 243 CZ ARG 33 34.939 24.334 6.920 1.00116.84 1SG 244 ATOM 244 NH1 ARG 33 33.958 23.966 7.795 1.00116.84 1SG 245 ATOM 245 NH2 ARG 33 34.746 24.182 5.577 1.00116.84 1SG 246 ATOM 246 C ARG 33 37.719 28.925 11.681 1.00116.84 1SG 247 ATOM 247 O ARG 33 37.588 28.306 12.737 1.00116.84 1SG 248 ATOM 248 N HIS 34 37.526 30.251 11.621 1.00245.65 1SG 249 ATOM 249 CA HIS 34 37.125 30.874 12.840 1.00245.65 1SG 250 ATOM 250 ND1 HIS 34 39.386 32.344 15.106 1.00245.65 1SG 251 ATOM 251 CG HIS 34 38.137 32.429 14.530 1.00245.65 1SG 252 ATOM 252 CB HIS 34 37.889 32.182 13.081 1.00245.65 1SG 253 ATOM 253 NE2 HIS 34 37.963 32.841 16.733 1.00245.65 1SG 254 ATOM 254 CD2 HIS 34 37.280 32.729 15.538 1.00245.65 1SG 255 ATOM 255 CE1 HIS 34 39.223 32.600 16.426 1.00245.65 1SG 256 ATOM 256 C HIS 34 35.656 31.179 12.681 1.00245.65 1SG 257 ATOM 257 O HIS 34 35.257 31.872 11.750 1.00245.65 1SG 258 ATOM 258 N ARG 35 34.800 30.621 13.564 1.00375.27 1SG 259 ATOM 259 CA ARG 35 33.373 30.798 13.529 1.00375.27 1SG 260 ATOM 260 CB ARG 35 32.724 30.384 12.184 1.00375.27 1SG 261 ATOM 261 CG ARG 35 31.281 30.867 11.977 1.00375.27 1SG 262 ATOM 262 CD ARG 35 30.257 29.771 11.637 1.00375.27 1SG 263 ATOM 263 NE ARG 35 28.901 30.397 11.716 1.00375.27 1SG 264 ATOM 264 CZ ARG 35 27.863 29.779 12.361 1.00375.27 1SG 265 ATOM 265 NH1 ARG 35 28.005 28.529 12.886 1.00375.27 1SG 266 ATOM 266 NH2 ARG 35 26.673 30.426 12.525 1.00375.27 1SG 267 ATOM 267 C ARG 35 32.844 29.900 14.601 1.00375.27 1SG 268 ATOM 268 O ARG 35 33.386 28.822 14.812 1.00375.27 1SG 269 ATOM 269 N GLY 36 31.661 30.350 15.391 1.00368.05 1SG 270 ATOM 270 CA GLY 36 29.979 30.506 16.896 1.00368.05 1SG 271 ATOM 271 C GLY 36 28.542 31.077 16.672 1.00368.05 1SG 272 ATOM 272 O GLY 36 27.799 30.588 15.821 1.00368.05 1SG 273 ATOM 273 N PRO 37 28.045 32.024 17.416 1.00153.55 1SG 274 ATOM 274 CA PRO 37 26.833 32.595 16.913 1.00153.55 1SG 275 ATOM 275 CD PRO 37 28.131 32.088 18.863 1.00153.55 1SG 276 ATOM 276 CB PRO 37 26.173 33.309 18.099 1.00153.55 1SG 277 ATOM 277 CG PRO 37 27.246 33.300 19.209 1.00153.55 1SG 278 ATOM 278 C PRO 37 27.308 33.493 15.813 1.00153.55 1SG 279 ATOM 279 O PRO 37 27.358 34.697 16.050 1.00153.55 1SG 280 ATOM 280 N LEU 38 27.555 32.968 14.591 1.00274.22 1SG 281 ATOM 281 CA LEU 38 28.141 33.761 13.535 1.00274.22 1SG 282 ATOM 282 CB LEU 38 27.347 35.044 13.246 1.00274.22 1SG 283 ATOM 283 CG LEU 38 25.904 34.773 12.791 1.00274.22 1SG 284 ATOM 284 CD2 LEU 38 25.879 33.808 11.597 1.00274.22 1SG 285 ATOM 285 CD1 LEU 38 25.149 36.081 12.510 1.00274.22 1SG 286 ATOM 286 C LEU 38 29.522 34.162 13.988 1.00274.22 1SG 287 ATOM 287 O LEU 38 29.682 34.696 15.082 1.00274.22 1SG 288 ATOM 288 N GLY 39 30.604 33.888 13.213 1.00109.97 1SG 289 ATOM 289 CA GLY 39 31.830 34.276 13.859 1.00109.97 1SG 290 ATOM 290 C GLY 39 33.075 33.919 13.109 1.00109.97 1SG 291 ATOM 291 O GLY 39 33.087 33.140 12.160 1.00109.97 1SG 292 ATOM 292 N ILE 40 34.168 34.556 13.563 1.00192.94 1SG 293 ATOM 293 CA ILE 40 35.530 34.440 13.138 1.00192.94 1SG 294 ATOM 294 CB ILE 40 35.840 35.104 11.822 1.00192.94 1SG 295 ATOM 295 CG2 ILE 40 35.055 34.393 10.719 1.00192.94 1SG 296 ATOM 296 CG1 ILE 40 35.647 36.632 11.879 1.00192.94 1SG 297 ATOM 297 CD1 ILE 40 34.341 37.144 12.476 1.00192.94 1SG 298 ATOM 298 C ILE 40 36.237 35.189 14.215 1.00192.94 1SG 299 ATOM 299 O ILE 40 35.775 35.186 15.356 1.00192.94 1SG 300 ATOM 300 N VAL 41 37.400 35.795 13.904 1.00 66.92 1SG 301 ATOM 301 CA VAL 41 37.992 36.671 14.865 1.00 66.92 1SG 302 ATOM 302 CB VAL 41 39.180 37.390 14.286 1.00 66.92 1SG 303 ATOM 303 CG1 VAL 41 39.693 38.459 15.262 1.00 66.92 1SG 304 ATOM 304 CG2 VAL 41 40.229 36.331 13.913 1.00 66.92 1SG 305 ATOM 305 C VAL 41 36.908 37.667 15.131 1.00 66.92 1SG 306 ATOM 306 O VAL 41 36.592 38.513 14.295 1.00 66.92 1SG 307 ATOM 307 N SER 42 36.304 37.558 16.328 1.00120.60 1SG 308 ATOM 308 CA SER 42 35.168 38.344 16.703 1.00120.60 1SG 309 ATOM 309 CB SER 42 34.300 37.654 17.779 1.00120.60 1SG 310 ATOM 310 OG SER 42 33.089 38.365 18.002 1.00120.60 1SG 311 ATOM 311 C SER 42 35.668 39.635 17.245 1.00120.60 1SG 312 ATOM 312 O SER 42 36.858 39.936 17.202 1.00120.60 1SG 313 ATOM 313 N GLY 43 34.742 40.432 17.796 1.00222.79 1SG 314 ATOM 314 CA GLY 43 35.093 41.703 18.337 1.00222.79 1SG 315 ATOM 315 C GLY 43 34.074 42.678 17.873 1.00222.79 1SG 316 ATOM 316 O GLY 43 34.069 43.140 16.735 1.00222.79 1SG 317 ATOM 317 N GLY 44 33.219 43.068 18.829 1.00 79.08 1SG 318 ATOM 318 CA GLY 44 32.134 43.977 18.645 1.00 79.08 1SG 319 ATOM 319 C GLY 44 31.077 43.397 19.520 1.00 79.08 1SG 320 ATOM 320 O GLY 44 30.720 42.228 19.377 1.00 79.08 1SG 321 ATOM 321 N ARG 45 30.548 44.192 20.463 1.00 75.16 1SG 322 ATOM 322 CA ARG 45 29.564 43.618 21.328 1.00 75.16 1SG 323 ATOM 323 CB ARG 45 30.098 43.277 22.729 1.00 75.16 1SG 324 ATOM 324 CG ARG 45 31.115 42.135 22.736 1.00 75.16 1SG 325 ATOM 325 CD ARG 45 31.705 41.854 24.119 1.00 75.16 1SG 326 ATOM 326 NE ARG 45 32.680 40.738 23.977 1.00 75.16 1SG 327 ATOM 327 CZ ARG 45 33.542 40.459 24.998 1.00 75.16 1SG 328 ATOM 328 NH1 ARG 45 33.515 41.203 26.143 1.00 75.16 1SG 329 ATOM 329 NH2 ARG 45 34.427 39.428 24.876 1.00 75.16 1SG 330 ATOM 330 C ARG 45 28.486 44.619 21.511 1.00 75.16 1SG 331 ATOM 331 O ARG 45 28.725 45.818 21.415 1.00 75.16 1SG 332 ATOM 332 N LEU 46 27.249 44.146 21.739 1.00 41.01 1SG 333 ATOM 333 CA LEU 46 26.177 45.058 21.991 1.00 41.01 1SG 334 ATOM 334 CB LEU 46 24.785 44.448 21.743 1.00 41.01 1SG 335 ATOM 335 CG LEU 46 23.629 45.444 21.950 1.00 41.01 1SG 336 ATOM 336 CD2 LEU 46 22.269 44.732 21.997 1.00 41.01 1SG 337 ATOM 337 CD1 LEU 46 23.670 46.558 20.893 1.00 41.01 1SG 338 ATOM 338 C LEU 46 26.277 45.409 23.441 1.00 41.01 1SG 339 ATOM 339 O LEU 46 26.751 44.610 24.247 1.00 41.01 1SG 340 ATOM 340 N ILE 47 25.853 46.630 23.816 1.00 79.03 1SG 341 ATOM 341 CA ILE 47 25.962 46.994 25.197 1.00 79.03 1SG 342 ATOM 342 CB ILE 47 26.866 48.163 25.453 1.00 79.03 1SG 343 ATOM 343 CG2 ILE 47 26.167 49.422 24.912 1.00 79.03 1SG 344 ATOM 344 CG1 ILE 47 27.208 48.250 26.951 1.00 79.03 1SG 345 ATOM 345 CD1 ILE 47 28.370 49.191 27.266 1.00 79.03 1SG 346 ATOM 346 C ILE 47 24.610 47.409 25.668 1.00 79.03 1SG 347 ATOM 347 O ILE 47 23.822 47.969 24.909 1.00 79.03 1SG 348 ATOM 348 N GLY 48 24.291 47.111 26.941 1.00 23.08 1SG 349 ATOM 349 CA GLY 48 23.038 47.552 27.474 1.00 23.08 1SG 350 ATOM 350 C GLY 48 23.365 48.260 28.743 1.00 23.08 1SG 351 ATOM 351 O GLY 48 23.829 47.647 29.703 1.00 23.08 1SG 352 ATOM 352 N GLN 49 23.127 49.585 28.780 1.00108.14 1SG 353 ATOM 353 CA GLN 49 23.444 50.313 29.969 1.00108.14 1SG 354 ATOM 354 CB GLN 49 24.826 50.986 29.908 1.00108.14 1SG 355 ATOM 355 CG GLN 49 25.189 51.769 31.170 1.00108.14 1SG 356 ATOM 356 CD GLN 49 26.572 52.367 30.956 1.00108.14 1SG 357 ATOM 357 OE1 GLN 49 27.116 53.036 31.833 1.00108.14 1SG 358 ATOM 358 NE2 GLN 49 27.163 52.115 29.757 1.00108.14 1SG 359 ATOM 359 C GLN 49 22.428 51.395 30.124 1.00108.14 1SG 360 ATOM 360 O GLN 49 22.036 52.038 29.153 1.00108.14 1SG 361 ATOM 361 N ALA 50 21.982 51.627 31.372 1.00205.79 1SG 362 ATOM 362 CA ALA 50 21.022 52.656 31.638 1.00205.79 1SG 363 ATOM 363 CB ALA 50 21.571 54.074 31.401 1.00205.79 1SG 364 ATOM 364 C ALA 50 19.836 52.461 30.751 1.00205.79 1SG 365 ATOM 365 O ALA 50 19.293 53.420 30.205 1.00205.79 1SG 366 ATOM 366 N ASP 51 19.392 51.202 30.596 1.00100.43 1SG 367 ATOM 367 CA ASP 51 18.241 50.927 29.788 1.00100.43 1SG 368 ATOM 368 CB ASP 51 16.954 51.565 30.343 1.00100.43 1SG 369 ATOM 369 CG ASP 51 15.756 51.016 29.577 1.00100.43 1SG 370 ATOM 370 OD1 ASP 51 15.969 50.181 28.659 1.00100.43 1SG 371 ATOM 371 OD2 ASP 51 14.610 51.424 29.906 1.00100.43 1SG 372 ATOM 372 C ASP 51 18.495 51.473 28.421 1.00100.43 1SG 373 ATOM 373 O ASP 51 17.579 51.918 27.731 1.00100.43 1SG 374 ATOM 374 N LEU 52 19.768 51.444 27.994 1.00 39.42 1SG 375 ATOM 375 CA LEU 52 20.119 51.908 26.687 1.00 39.42 1SG 376 ATOM 376 CB LEU 52 21.060 53.127 26.681 1.00 39.42 1SG 377 ATOM 377 CG LEU 52 20.421 54.402 27.261 1.00 39.42 1SG 378 ATOM 378 CD2 LEU 52 19.087 54.721 26.568 1.00 39.42 1SG 379 ATOM 379 CD1 LEU 52 21.400 55.587 27.223 1.00 39.42 1SG 380 ATOM 380 C LEU 52 20.848 50.789 26.028 1.00 39.42 1SG 381 ATOM 381 O LEU 52 21.429 49.937 26.698 1.00 39.42 1SG 382 ATOM 382 N VAL 53 20.809 50.744 24.686 1.00 28.47 1SG 383 ATOM 383 CA VAL 53 21.508 49.703 23.996 1.00 28.47 1SG 384 ATOM 384 CB VAL 53 20.611 48.826 23.173 1.00 28.47 1SG 385 ATOM 385 CG1 VAL 53 21.478 47.802 22.425 1.00 28.47 1SG 386 ATOM 386 CG2 VAL 53 19.570 48.186 24.108 1.00 28.47 1SG 387 ATOM 387 C VAL 53 22.465 50.372 23.073 1.00 28.47 1SG 388 ATOM 388 O VAL 53 22.246 51.511 22.665 1.00 28.47 1SG 389 ATOM 389 N GLY 54 23.579 49.694 22.741 1.00 27.80 1SG 390 ATOM 390 CA GLY 54 24.503 50.315 21.845 1.00 27.80 1SG 391 ATOM 391 C GLY 54 25.088 49.251 20.987 1.00 27.80 1SG 392 ATOM 392 O GLY 54 25.703 48.306 21.479 1.00 27.80 1SG 393 ATOM 393 N VAL 55 24.919 49.392 19.661 1.00131.97 1SG 394 ATOM 394 CA VAL 55 25.520 48.434 18.791 1.00131.97 1SG 395 ATOM 395 CB VAL 55 25.166 48.607 17.345 1.00131.97 1SG 396 ATOM 396 CG1 VAL 55 25.705 49.966 16.868 1.00131.97 1SG 397 ATOM 397 CG2 VAL 55 25.738 47.414 16.560 1.00131.97 1SG 398 ATOM 398 C VAL 55 26.965 48.707 18.898 1.00131.97 1SG 399 ATOM 399 O VAL 55 27.372 49.860 19.040 1.00131.97 1SG 400 ATOM 400 N GLU 56 27.807 47.667 18.883 1.00214.53 1SG 401 ATOM 401 CA GLU 56 29.130 48.149 19.007 1.00214.53 1SG 402 ATOM 402 CB GLU 56 29.617 48.202 20.461 1.00214.53 1SG 403 ATOM 403 CG GLU 56 28.751 49.138 21.307 1.00214.53 1SG 404 ATOM 404 CD GLU 56 28.858 48.783 22.786 1.00214.53 1SG 405 ATOM 405 OE1 GLU 56 29.226 47.624 23.115 1.00214.53 1SG 406 ATOM 406 OE2 GLU 56 28.571 49.684 23.618 1.00214.53 1SG 407 ATOM 407 C GLU 56 30.098 47.358 18.214 1.00214.53 1SG 408 ATOM 408 O GLU 56 30.317 46.165 18.421 1.00214.53 1SG 409 ATOM 409 N GLY 57 30.696 48.087 17.256 1.00121.89 1SG 410 ATOM 410 CA GLY 57 31.912 47.701 16.627 1.00121.89 1SG 411 ATOM 411 C GLY 57 32.804 48.439 17.561 1.00121.89 1SG 412 ATOM 412 O GLY 57 32.194 49.048 18.433 1.00121.89 1SG 413 ATOM 413 N PRO 58 34.106 48.563 17.426 1.00214.24 1SG 414 ATOM 414 CA PRO 58 34.977 49.016 18.495 1.00214.24 1SG 415 ATOM 415 CD PRO 58 34.753 48.623 16.128 1.00214.24 1SG 416 ATOM 416 CB PRO 58 36.256 49.513 17.822 1.00214.24 1SG 417 ATOM 417 CG PRO 58 36.247 48.811 16.451 1.00214.24 1SG 418 ATOM 418 C PRO 58 34.455 49.959 19.542 1.00214.24 1SG 419 ATOM 419 O PRO 58 34.654 51.172 19.486 1.00214.24 1SG 420 ATOM 420 N PHE 59 33.744 49.293 20.473 1.00265.79 1SG 421 ATOM 421 CA PHE 59 33.134 49.493 21.743 1.00265.79 1SG 422 ATOM 422 CB PHE 59 31.697 50.013 21.784 1.00265.79 1SG 423 ATOM 423 CG PHE 59 31.613 50.473 23.199 1.00265.79 1SG 424 ATOM 424 CD1 PHE 59 31.284 49.612 24.221 1.00265.79 1SG 425 ATOM 425 CD2 PHE 59 31.927 51.773 23.510 1.00265.79 1SG 426 ATOM 426 CE1 PHE 59 31.226 50.050 25.523 1.00265.79 1SG 427 ATOM 427 CE2 PHE 59 31.872 52.218 24.810 1.00265.79 1SG 428 ATOM 428 CZ PHE 59 31.516 51.359 25.821 1.00265.79 1SG 429 ATOM 429 C PHE 59 33.096 48.040 21.948 1.00265.79 1SG 430 ATOM 430 O PHE 59 32.404 47.432 22.764 1.00265.79 1SG 431 ATOM 431 N SER 60 33.932 47.507 21.046 1.00113.17 1SG 432 ATOM 432 CA SER 60 34.286 46.182 20.723 1.00113.17 1SG 433 ATOM 433 CB SER 60 34.990 46.157 19.350 1.00113.17 1SG 434 ATOM 434 OG SER 60 35.376 44.852 18.960 1.00113.17 1SG 435 ATOM 435 C SER 60 35.257 45.823 21.779 1.00113.17 1SG 436 ATOM 436 O SER 60 35.265 46.415 22.857 1.00113.17 1SG 437 ATOM 437 N VAL 61 36.093 44.822 21.500 1.00 39.01 1SG 438 ATOM 438 CA VAL 61 37.050 44.424 22.468 1.00 39.01 1SG 439 ATOM 439 CB VAL 61 37.970 43.369 21.937 1.00 39.01 1SG 440 ATOM 440 CG1 VAL 61 39.050 43.069 22.990 1.00 39.01 1SG 441 ATOM 441 CG2 VAL 61 37.121 42.157 21.516 1.00 39.01 1SG 442 ATOM 442 C VAL 61 37.887 45.617 22.780 1.00 39.01 1SG 443 ATOM 443 O VAL 61 38.188 45.880 23.942 1.00 39.01 1SG 444 ATOM 444 N GLU 62 38.274 46.389 21.749 1.00 57.58 1SG 445 ATOM 445 CA GLU 62 39.152 47.480 22.040 1.00 57.58 1SG 446 ATOM 446 CB GLU 62 39.672 48.230 20.803 1.00 57.58 1SG 447 ATOM 447 CG GLU 62 40.777 47.498 20.042 1.00 57.58 1SG 448 ATOM 448 CD GLU 62 41.428 48.555 19.169 1.00 57.58 1SG 449 ATOM 449 OE1 GLU 62 40.920 49.708 19.197 1.00 57.58 1SG 450 ATOM 450 OE2 GLU 62 42.437 48.239 18.484 1.00 57.58 1SG 451 ATOM 451 C GLU 62 38.512 48.493 22.941 1.00 57.58 1SG 452 ATOM 452 O GLU 62 39.123 48.871 23.933 1.00 57.58 1SG 453 ATOM 453 N GLU 63 37.262 48.932 22.692 1.00 74.11 1SG 454 ATOM 454 CA GLU 63 36.775 50.026 23.499 1.00 74.11 1SG 455 ATOM 455 CB GLU 63 35.453 50.687 23.082 1.00 74.11 1SG 456 ATOM 456 CG GLU 63 35.603 51.752 21.994 1.00 74.11 1SG 457 ATOM 457 CD GLU 63 34.424 52.708 22.111 1.00 74.11 1SG 458 ATOM 458 OE1 GLU 63 34.231 53.253 23.232 1.00 74.11 1SG 459 ATOM 459 OE2 GLU 63 33.701 52.898 21.097 1.00 74.11 1SG 460 ATOM 460 C GLU 63 36.641 49.696 24.947 1.00 74.11 1SG 461 ATOM 461 O GLU 63 36.807 50.575 25.792 1.00 74.11 1SG 462 ATOM 462 N LEU 64 36.274 48.459 25.306 1.00 86.30 1SG 463 ATOM 463 CA LEU 64 36.167 48.276 26.720 1.00 86.30 1SG 464 ATOM 464 CB LEU 64 35.590 46.905 27.115 1.00 86.30 1SG 465 ATOM 465 CG LEU 64 34.105 46.733 26.732 1.00 86.30 1SG 466 ATOM 466 CD2 LEU 64 33.514 45.463 27.365 1.00 86.30 1SG 467 ATOM 467 CD1 LEU 64 33.900 46.788 25.210 1.00 86.30 1SG 468 ATOM 468 C LEU 64 37.527 48.442 27.347 1.00 86.30 1SG 469 ATOM 469 O LEU 64 37.686 49.186 28.314 1.00 86.30 1SG 470 ATOM 470 N LEU 65 38.552 47.777 26.782 1.00 74.61 1SG 471 ATOM 471 CA LEU 65 39.880 47.801 27.334 1.00 74.61 1SG 472 ATOM 472 CB LEU 65 40.806 46.801 26.624 1.00 74.61 1SG 473 ATOM 473 CG LEU 65 40.294 45.349 26.701 1.00 74.61 1SG 474 ATOM 474 CD2 LEU 65 39.960 44.946 28.145 1.00 74.61 1SG 475 ATOM 475 CD1 LEU 65 41.256 44.374 26.003 1.00 74.61 1SG 476 ATOM 476 C LEU 65 40.505 49.165 27.215 1.00 74.61 1SG 477 ATOM 477 O LEU 65 41.044 49.695 28.185 1.00 74.61 1SG 478 ATOM 478 N ALA 66 40.410 49.772 26.014 1.00222.05 1SG 479 ATOM 479 CA ALA 66 41.014 51.028 25.645 1.00222.05 1SG 480 ATOM 480 CB ALA 66 42.385 50.885 24.966 1.00222.05 1SG 481 ATOM 481 C ALA 66 40.086 51.630 24.636 1.00222.05 1SG 482 ATOM 482 O ALA 66 38.912 51.296 24.626 1.00222.05 1SG 483 ATOM 483 N HIS 67 40.528 52.569 23.776 1.00237.90 1SG 484 ATOM 484 CA HIS 67 39.545 53.100 22.866 1.00237.90 1SG 485 ATOM 485 ND1 HIS 67 37.056 54.875 23.699 1.00237.90 1SG 486 ATOM 486 CG HIS 67 38.410 55.068 23.863 1.00237.90 1SG 487 ATOM 487 CB HIS 67 39.413 54.632 22.838 1.00237.90 1SG 488 ATOM 488 NE2 HIS 67 37.322 55.842 25.682 1.00237.90 1SG 489 ATOM 489 CD2 HIS 67 38.556 55.661 25.080 1.00237.90 1SG 490 ATOM 490 CE1 HIS 67 36.453 55.354 24.815 1.00237.90 1SG 491 ATOM 491 C HIS 67 39.669 52.575 21.466 1.00237.90 1SG 492 ATOM 492 O HIS 67 40.526 51.753 21.147 1.00237.90 1SG 493 ATOM 493 N GLN 68 38.744 53.066 20.610 1.00307.41 1SG 494 ATOM 494 CA GLN 68 38.474 52.656 19.258 1.00307.41 1SG 495 ATOM 495 CB GLN 68 37.258 53.405 18.674 1.00307.41 1SG 496 ATOM 496 CG GLN 68 37.170 53.413 17.145 1.00307.41 1SG 497 ATOM 497 CD GLN 68 37.883 54.681 16.675 1.00307.41 1SG 498 ATOM 498 OE1 GLN 68 38.347 54.808 15.544 1.00307.41 1SG 499 ATOM 499 NE2 GLN 68 38.016 55.656 17.615 1.00307.41 1SG 500 ATOM 500 C GLN 68 39.611 52.878 18.324 1.00307.41 1SG 501 ATOM 501 O GLN 68 40.078 53.999 18.133 1.00307.41 1SG 502 ATOM 502 N GLU 69 40.157 51.773 17.780 1.00105.44 1SG 503 ATOM 503 CA GLU 69 41.065 51.919 16.686 1.00105.44 1SG 504 ATOM 504 CB GLU 69 41.915 50.677 16.367 1.00105.44 1SG 505 ATOM 505 CG GLU 69 42.883 50.964 15.211 1.00105.44 1SG 506 ATOM 506 CD GLU 69 43.478 49.667 14.671 1.00105.44 1SG 507 ATOM 507 OE1 GLU 69 44.353 49.067 15.350 1.00105.44 1SG 508 ATOM 508 OE2 GLU 69 43.066 49.267 13.549 1.00105.44 1SG 509 ATOM 509 C GLU 69 40.231 52.166 15.466 1.00105.44 1SG 510 ATOM 510 O GLU 69 40.526 53.027 14.640 1.00105.44 1SG 511 ATOM 511 N LYS 70 39.123 51.408 15.327 1.00193.78 1SG 512 ATOM 512 CA LYS 70 38.387 51.548 14.107 1.00193.78 1SG 513 ATOM 513 CB LYS 70 38.292 50.239 13.309 1.00193.78 1SG 514 ATOM 514 CG LYS 70 39.601 49.453 13.253 1.00193.78 1SG 515 ATOM 515 CD LYS 70 39.912 48.785 14.593 1.00193.78 1SG 516 ATOM 516 CE LYS 70 41.016 47.731 14.530 1.00193.78 1SG 517 ATOM 517 NZ LYS 70 41.329 47.255 15.895 1.00193.78 1SG 518 ATOM 518 C LYS 70 36.973 51.906 14.420 1.00193.78 1SG 519 ATOM 519 O LYS 70 36.155 51.032 14.703 1.00193.78 1SG 520 ATOM 520 N HIS 71 36.644 53.208 14.379 1.00 91.45 1SG 521 ATOM 521 CA HIS 71 35.280 53.610 14.527 1.00 91.45 1SG 522 ATOM 522 ND1 HIS 71 35.561 56.776 16.599 1.00 91.45 1SG 523 ATOM 523 CG HIS 71 35.072 55.573 16.138 1.00 91.45 1SG 524 ATOM 524 CB HIS 71 35.075 55.129 14.701 1.00 91.45 1SG 525 ATOM 525 NE2 HIS 71 34.710 55.720 18.362 1.00 91.45 1SG 526 ATOM 526 CD2 HIS 71 34.558 54.942 17.229 1.00 91.45 1SG 527 ATOM 527 CE1 HIS 71 35.318 56.812 17.935 1.00 91.45 1SG 528 ATOM 528 C HIS 71 34.602 53.166 13.279 1.00 91.45 1SG 529 ATOM 529 O HIS 71 33.428 52.796 13.280 1.00 91.45 1SG 530 ATOM 530 N LEU 72 35.363 53.173 12.171 1.00 44.26 1SG 531 ATOM 531 CA LEU 72 34.831 52.792 10.899 1.00 44.26 1SG 532 ATOM 532 CB LEU 72 35.908 52.791 9.798 1.00 44.26 1SG 533 ATOM 533 CG LEU 72 35.382 52.385 8.408 1.00 44.26 1SG 534 ATOM 534 CD2 LEU 72 36.530 52.015 7.454 1.00 44.26 1SG 535 ATOM 535 CD1 LEU 72 34.440 53.451 7.832 1.00 44.26 1SG 536 ATOM 536 C LEU 72 34.329 51.388 11.002 1.00 44.26 1SG 537 ATOM 537 O LEU 72 33.227 51.076 10.549 1.00 44.26 1SG 538 ATOM 538 N ALA 73 35.124 50.497 11.618 1.00 36.34 1SG 539 ATOM 539 CA ALA 73 34.720 49.123 11.703 1.00 36.34 1SG 540 ATOM 540 CB ALA 73 35.779 48.240 12.380 1.00 36.34 1SG 541 ATOM 541 C ALA 73 33.471 49.031 12.516 1.00 36.34 1SG 542 ATOM 542 O ALA 73 32.530 48.324 12.158 1.00 36.34 1SG 543 ATOM 543 N GLU 74 33.424 49.783 13.628 1.00 51.64 1SG 544 ATOM 544 CA GLU 74 32.319 49.696 14.535 1.00 51.64 1SG 545 ATOM 545 CB GLU 74 32.457 50.693 15.692 1.00 51.64 1SG 546 ATOM 546 CG GLU 74 31.207 50.796 16.566 1.00 51.64 1SG 547 ATOM 547 CD GLU 74 31.425 51.955 17.525 1.00 51.64 1SG 548 ATOM 548 OE1 GLU 74 32.524 52.569 17.466 1.00 51.64 1SG 549 ATOM 549 OE2 GLU 74 30.496 52.245 18.325 1.00 51.64 1SG 550 ATOM 550 C GLU 74 31.046 50.059 13.852 1.00 51.64 1SG 551 ATOM 551 O GLU 74 30.044 49.352 13.946 1.00 51.64 1SG 552 ATOM 552 N GLU 75 31.069 51.188 13.135 1.00 59.21 1SG 553 ATOM 553 CA GLU 75 29.900 51.721 12.512 1.00 59.21 1SG 554 ATOM 554 CB GLU 75 30.161 53.147 12.015 1.00 59.21 1SG 555 ATOM 555 CG GLU 75 30.284 54.112 13.202 1.00 59.21 1SG 556 ATOM 556 CD GLU 75 31.142 55.294 12.788 1.00 59.21 1SG 557 ATOM 557 OE1 GLU 75 31.951 55.104 11.843 1.00 59.21 1SG 558 ATOM 558 OE2 GLU 75 31.029 56.381 13.415 1.00 59.21 1SG 559 ATOM 559 C GLU 75 29.428 50.829 11.406 1.00 59.21 1SG 560 ATOM 560 O GLU 75 28.226 50.659 11.214 1.00 59.21 1SG 561 ATOM 561 N ALA 76 30.354 50.205 10.661 1.00 24.73 1SG 562 ATOM 562 CA ALA 76 29.954 49.377 9.561 1.00 24.73 1SG 563 ATOM 563 CB ALA 76 31.151 48.745 8.836 1.00 24.73 1SG 564 ATOM 564 C ALA 76 29.108 48.265 10.090 1.00 24.73 1SG 565 ATOM 565 O ALA 76 28.119 47.875 9.470 1.00 24.73 1SG 566 ATOM 566 N PHE 77 29.489 47.735 11.264 1.00 93.99 1SG 567 ATOM 567 CA PHE 77 28.790 46.657 11.898 1.00 93.99 1SG 568 ATOM 568 CB PHE 77 29.496 46.252 13.208 1.00 93.99 1SG 569 ATOM 569 CG PHE 77 28.855 45.059 13.828 1.00 93.99 1SG 570 ATOM 570 CD1 PHE 77 28.932 43.827 13.222 1.00 93.99 1SG 571 ATOM 571 CD2 PHE 77 28.220 45.159 15.044 1.00 93.99 1SG 572 ATOM 572 CE1 PHE 77 28.353 42.720 13.794 1.00 93.99 1SG 573 ATOM 573 CE2 PHE 77 27.638 44.057 15.624 1.00 93.99 1SG 574 ATOM 574 CZ PHE 77 27.710 42.833 15.003 1.00 93.99 1SG 575 ATOM 575 C PHE 77 27.407 47.138 12.198 1.00 93.99 1SG 576 ATOM 576 O PHE 77 26.429 46.422 11.988 1.00 93.99 1SG 577 ATOM 577 N LEU 78 27.297 48.385 12.689 1.00137.50 1SG 578 ATOM 578 CA LEU 78 26.024 48.943 13.033 1.00137.50 1SG 579 ATOM 579 CB LEU 78 26.130 50.340 13.654 1.00137.50 1SG 580 ATOM 580 CG LEU 78 24.753 50.999 13.821 1.00137.50 1SG 581 ATOM 581 CD2 LEU 78 24.888 52.408 14.414 1.00137.50 1SG 582 ATOM 582 CD1 LEU 78 23.800 50.103 14.625 1.00137.50 1SG 583 ATOM 583 C LEU 78 25.136 49.063 11.830 1.00137.50 1SG 584 ATOM 584 O LEU 78 23.955 48.728 11.907 1.00137.50 1SG 585 ATOM 585 N ARG 79 25.668 49.539 10.686 1.00 90.44 1SG 586 ATOM 586 CA ARG 79 24.843 49.725 9.522 1.00 90.44 1SG 587 ATOM 587 CB ARG 79 25.509 50.428 8.330 1.00 90.44 1SG 588 ATOM 588 CG ARG 79 25.304 51.939 8.267 1.00 90.44 1SG 589 ATOM 589 CD ARG 79 25.993 52.562 7.054 1.00 90.44 1SG 590 ATOM 590 NE ARG 79 25.733 54.026 7.082 1.00 90.44 1SG 591 ATOM 591 CZ ARG 79 26.756 54.888 6.816 1.00 90.44 1SG 592 ATOM 592 NH1 ARG 79 28.017 54.405 6.618 1.00 90.44 1SG 593 ATOM 593 NH2 ARG 79 26.521 56.230 6.742 1.00 90.44 1SG 594 ATOM 594 C ARG 79 24.317 48.426 9.011 1.00 90.44 1SG 595 ATOM 595 O ARG 79 23.201 48.378 8.495 1.00 90.44 1SG 596 ATOM 596 N ALA 80 25.098 47.338 9.127 1.00 28.30 1SG 597 ATOM 597 CA ALA 80 24.654 46.088 8.583 1.00 28.30 1SG 598 ATOM 598 CB ALA 80 25.621 44.934 8.888 1.00 28.30 1SG 599 ATOM 599 C ALA 80 23.350 45.744 9.223 1.00 28.30 1SG 600 ATOM 600 O ALA 80 22.408 45.324 8.553 1.00 28.30 1SG 601 ATOM 601 N TYR 81 23.260 45.938 10.548 1.00 58.44 1SG 602 ATOM 602 CA TYR 81 22.047 45.669 11.259 1.00 58.44 1SG 603 ATOM 603 CB TYR 81 22.194 45.806 12.776 1.00 58.44 1SG 604 ATOM 604 CG TYR 81 23.115 44.691 13.064 1.00 58.44 1SG 605 ATOM 605 CD1 TYR 81 22.676 43.417 12.821 1.00 58.44 1SG 606 ATOM 606 CD2 TYR 81 24.379 44.904 13.557 1.00 58.44 1SG 607 ATOM 607 CE1 TYR 81 23.499 42.354 13.059 1.00 58.44 1SG 608 ATOM 608 CE2 TYR 81 25.207 43.836 13.799 1.00 58.44 1SG 609 ATOM 609 CZ TYR 81 24.764 42.560 13.549 1.00 58.44 1SG 610 ATOM 610 OH TYR 81 25.604 41.455 13.792 1.00 58.44 1SG 611 ATOM 611 C TYR 81 21.011 46.625 10.792 1.00 58.44 1SG 612 ATOM 612 O TYR 81 19.831 46.290 10.696 1.00 58.44 1SG 613 ATOM 613 N ALA 82 21.442 47.857 10.490 1.00 37.80 1SG 614 ATOM 614 CA ALA 82 20.513 48.865 10.095 1.00 37.80 1SG 615 ATOM 615 CB ALA 82 21.252 50.144 9.664 1.00 37.80 1SG 616 ATOM 616 C ALA 82 19.767 48.385 8.889 1.00 37.80 1SG 617 ATOM 617 O ALA 82 18.537 48.384 8.874 1.00 37.80 1SG 618 ATOM 618 N LYS 83 20.491 47.924 7.855 1.00 31.83 1SG 619 ATOM 619 CA LYS 83 19.826 47.502 6.656 1.00 31.83 1SG 620 ATOM 620 CB LYS 83 20.779 47.236 5.481 1.00 31.83 1SG 621 ATOM 621 CG LYS 83 21.417 48.515 4.936 1.00 31.83 1SG 622 ATOM 622 CD LYS 83 22.512 48.266 3.899 1.00 31.83 1SG 623 ATOM 623 CE LYS 83 23.167 49.551 3.390 1.00 31.83 1SG 624 ATOM 624 NZ LYS 83 24.279 49.223 2.470 1.00 31.83 1SG 625 ATOM 625 C LYS 83 19.048 46.258 6.922 1.00 31.83 1SG 626 ATOM 626 O LYS 83 17.931 46.098 6.430 1.00 31.83 1SG 627 ATOM 627 N ASP 84 19.616 45.351 7.734 1.00 55.42 1SG 628 ATOM 628 CA ASP 84 18.988 44.093 8.005 1.00 55.42 1SG 629 ATOM 629 CB ASP 84 19.795 43.227 8.989 1.00 55.42 1SG 630 ATOM 630 CG ASP 84 21.114 42.833 8.334 1.00 55.42 1SG 631 ATOM 631 OD1 ASP 84 21.257 43.047 7.100 1.00 55.42 1SG 632 ATOM 632 OD2 ASP 84 22.001 42.316 9.065 1.00 55.42 1SG 633 ATOM 633 C ASP 84 17.678 44.396 8.648 1.00 55.42 1SG 634 ATOM 634 O ASP 84 16.691 43.692 8.435 1.00 55.42 1SG 635 ATOM 635 N GLU 85 17.649 45.479 9.451 1.00258.95 1SG 636 ATOM 636 CA GLU 85 16.487 45.907 10.175 1.00258.95 1SG 637 ATOM 637 CB GLU 85 15.223 45.840 9.288 1.00258.95 1SG 638 ATOM 638 CG GLU 85 13.971 46.542 9.823 1.00258.95 1SG 639 ATOM 639 CD GLU 85 12.796 46.027 9.002 1.00258.95 1SG 640 ATOM 640 OE1 GLU 85 13.038 45.166 8.114 1.00258.95 1SG 641 ATOM 641 OE2 GLU 85 11.645 46.474 9.253 1.00258.95 1SG 642 ATOM 642 C GLU 85 16.221 45.098 11.429 1.00258.95 1SG 643 ATOM 643 O GLU 85 15.090 45.171 11.905 1.00258.95 1SG 644 ATOM 644 N PRO 86 17.086 44.337 12.068 1.00187.87 1SG 645 ATOM 645 CA PRO 86 16.640 43.832 13.333 1.00187.87 1SG 646 ATOM 646 CD PRO 86 18.030 43.415 11.451 1.00187.87 1SG 647 ATOM 647 CB PRO 86 17.599 42.713 13.726 1.00187.87 1SG 648 ATOM 648 CG PRO 86 18.108 42.190 12.376 1.00187.87 1SG 649 ATOM 649 C PRO 86 16.695 44.996 14.248 1.00187.87 1SG 650 ATOM 650 O PRO 86 16.090 44.973 15.320 1.00187.87 1SG 651 ATOM 651 N LEU 87 17.445 46.021 13.809 1.00152.23 1SG 652 ATOM 652 CA LEU 87 17.719 47.168 14.605 1.00152.23 1SG 653 ATOM 653 CB LEU 87 19.237 47.402 14.682 1.00152.23 1SG 654 ATOM 654 CG LEU 87 19.684 48.598 15.526 1.00152.23 1SG 655 ATOM 655 CD2 LEU 87 21.143 48.942 15.202 1.00152.23 1SG 656 ATOM 656 CD1 LEU 87 19.414 48.359 17.022 1.00152.23 1SG 657 ATOM 657 C LEU 87 17.129 48.360 13.930 1.00152.23 1SG 658 ATOM 658 O LEU 87 17.583 48.747 12.856 1.00152.23 1SG 659 ATOM 659 N TYR 88 16.093 48.976 14.538 1.00181.06 1SG 660 ATOM 660 CA TYR 88 15.650 50.222 13.990 1.00181.06 1SG 661 ATOM 661 CB TYR 88 14.118 50.414 14.026 1.00181.06 1SG 662 ATOM 662 CG TYR 88 13.697 51.810 13.661 1.00181.06 1SG 663 ATOM 663 CD1 TYR 88 14.327 52.537 12.672 1.00181.06 1SG 664 ATOM 664 CD2 TYR 88 12.621 52.382 14.302 1.00181.06 1SG 665 ATOM 665 CE1 TYR 88 13.902 53.809 12.346 1.00181.06 1SG 666 ATOM 666 CE2 TYR 88 12.189 53.647 13.982 1.00181.06 1SG 667 ATOM 667 CZ TYR 88 12.828 54.365 13.003 1.00181.06 1SG 668 ATOM 668 OH TYR 88 12.371 55.662 12.682 1.00181.06 1SG 669 ATOM 669 C TYR 88 16.342 51.224 14.838 1.00181.06 1SG 670 ATOM 670 O TYR 88 16.033 52.414 14.883 1.00181.06 1SG 671 ATOM 671 N ALA 89 17.348 50.738 15.576 1.00 78.82 1SG 672 ATOM 672 CA ALA 89 18.162 51.763 16.111 1.00 78.82 1SG 673 ATOM 673 CB ALA 89 19.391 51.303 16.880 1.00 78.82 1SG 674 ATOM 674 C ALA 89 18.767 52.269 14.879 1.00 78.82 1SG 675 ATOM 675 O ALA 89 18.798 53.474 14.647 1.00 78.82 1SG 676 ATOM 676 N TRP 90 19.159 51.279 14.042 1.00238.77 1SG 677 ATOM 677 CA TRP 90 19.946 51.418 12.858 1.00238.77 1SG 678 ATOM 678 CB TRP 90 19.258 51.334 11.460 1.00238.77 1SG 679 ATOM 679 CG TRP 90 17.903 51.916 11.088 1.00238.77 1SG 680 ATOM 680 CD2 TRP 90 16.826 51.092 10.592 1.00238.77 1SG 681 ATOM 681 CD1 TRP 90 17.472 53.206 10.977 1.00238.77 1SG 682 ATOM 682 NE1 TRP 90 16.205 53.235 10.431 1.00238.77 1SG 683 ATOM 683 CE2 TRP 90 15.796 51.942 10.189 1.00238.77 1SG 684 ATOM 684 CE3 TRP 90 16.711 49.736 10.458 1.00238.77 1SG 685 ATOM 685 CZ2 TRP 90 14.638 51.453 9.647 1.00238.77 1SG 686 ATOM 686 CZ3 TRP 90 15.535 49.243 9.934 1.00238.77 1SG 687 ATOM 687 CH2 TRP 90 14.518 50.085 9.533 1.00238.77 1SG 688 ATOM 688 C TRP 90 21.017 52.442 13.047 1.00238.77 1SG 689 ATOM 689 O TRP 90 22.173 52.074 13.263 1.00238.77 1SG 690 ATOM 690 N VAL 91 20.721 53.744 12.948 1.00118.50 1SG 691 ATOM 691 CA VAL 91 21.762 54.649 13.327 1.00118.50 1SG 692 ATOM 692 CB VAL 91 22.213 55.521 12.198 1.00118.50 1SG 693 ATOM 693 CG1 VAL 91 22.733 54.591 11.090 1.00118.50 1SG 694 ATOM 694 CG2 VAL 91 21.060 56.445 11.762 1.00118.50 1SG 695 ATOM 695 C VAL 91 21.231 55.536 14.412 1.00118.50 1SG 696 ATOM 696 O VAL 91 20.121 56.055 14.308 1.00118.50 1SG 697 ATOM 697 N LEU 92 21.990 55.730 15.512 1.00 45.57 1SG 698 ATOM 698 CA LEU 92 21.447 56.652 16.462 1.00 45.57 1SG 699 ATOM 699 CB LEU 92 22.199 56.747 17.809 1.00 45.57 1SG 700 ATOM 700 CG LEU 92 21.545 57.743 18.794 1.00 45.57 1SG 701 ATOM 701 CD2 LEU 92 22.429 57.999 20.027 1.00 45.57 1SG 702 ATOM 702 CD1 LEU 92 20.126 57.287 19.172 1.00 45.57 1SG 703 ATOM 703 C LEU 92 21.565 57.966 15.776 1.00 45.57 1SG 704 ATOM 704 O LEU 92 22.631 58.320 15.274 1.00 45.57 1SG 705 ATOM 705 N GLU 93 20.461 58.723 15.720 1.00100.39 1SG 706 ATOM 706 CA GLU 93 20.500 59.974 15.031 1.00100.39 1SG 707 ATOM 707 CB GLU 93 19.110 60.531 14.667 1.00100.39 1SG 708 ATOM 708 CG GLU 93 18.126 60.582 15.836 1.00100.39 1SG 709 ATOM 709 CD GLU 93 17.530 59.188 15.994 1.00100.39 1SG 710 ATOM 710 OE1 GLU 93 17.927 58.283 15.213 1.00100.39 1SG 711 ATOM 711 OE2 GLU 93 16.666 59.011 16.894 1.00100.39 1SG 712 ATOM 712 C GLU 93 21.221 60.948 15.895 1.00100.39 1SG 713 ATOM 713 O GLU 93 21.425 60.709 17.084 1.00100.39 1SG 714 ATOM 714 N ASN 94 21.646 62.077 15.299 1.00 84.41 1SG 715 ATOM 715 CA ASN 94 22.367 63.059 16.050 1.00 84.41 1SG 716 ATOM 716 CB ASN 94 21.600 63.493 17.311 1.00 84.41 1SG 717 ATOM 717 CG ASN 94 22.275 64.720 17.903 1.00 84.41 1SG 718 ATOM 718 OD1 ASN 94 21.879 65.205 18.962 1.00 84.41 1SG 719 ATOM 719 ND2 ASN 94 23.314 65.245 17.202 1.00 84.41 1SG 720 ATOM 720 C ASN 94 23.674 62.471 16.482 1.00 84.41 1SG 721 ATOM 721 O ASN 94 24.158 62.748 17.578 1.00 84.41 1SG 722 ATOM 722 N ALA 95 24.290 61.635 15.622 1.00 23.19 1SG 723 ATOM 723 CA ALA 95 25.565 61.076 15.968 1.00 23.19 1SG 724 ATOM 724 CB ALA 95 25.493 59.601 16.402 1.00 23.19 1SG 725 ATOM 725 C ALA 95 26.435 61.141 14.752 1.00 23.19 1SG 726 ATOM 726 O ALA 95 25.949 61.148 13.623 1.00 23.19 1SG 727 ATOM 727 N PHE 96 27.765 61.213 14.957 1.00 86.97 1SG 728 ATOM 728 CA PHE 96 28.670 61.255 13.844 1.00 86.97 1SG 729 ATOM 729 CB PHE 96 29.976 62.003 14.150 1.00 86.97 1SG 730 ATOM 730 CG PHE 96 29.614 63.439 14.312 1.00 86.97 1SG 731 ATOM 731 CD1 PHE 96 29.117 63.909 15.506 1.00 86.97 1SG 732 ATOM 732 CD2 PHE 96 29.772 64.315 13.263 1.00 86.97 1SG 733 ATOM 733 CE1 PHE 96 28.781 65.234 15.650 1.00 86.97 1SG 734 ATOM 734 CE2 PHE 96 29.438 65.641 13.402 1.00 86.97 1SG 735 ATOM 735 CZ PHE 96 28.943 66.103 14.598 1.00 86.97 1SG 736 ATOM 736 C PHE 96 29.006 59.842 13.509 1.00 86.97 1SG 737 ATOM 737 O PHE 96 29.011 58.978 14.383 1.00 86.97 1SG 738 ATOM 738 N ARG 97 29.275 59.549 12.221 1.00135.14 1SG 739 ATOM 739 CA ARG 97 29.527 58.173 11.917 1.00135.14 1SG 740 ATOM 740 CB ARG 97 28.238 57.416 11.581 1.00135.14 1SG 741 ATOM 741 CG ARG 97 28.323 55.933 11.916 1.00135.14 1SG 742 ATOM 742 CD ARG 97 27.162 55.122 11.356 1.00135.14 1SG 743 ATOM 743 NE ARG 97 27.727 54.360 10.213 1.00135.14 1SG 744 ATOM 744 CZ ARG 97 27.376 53.055 10.050 1.00135.14 1SG 745 ATOM 745 NH1 ARG 97 26.392 52.537 10.842 1.00135.14 1SG 746 ATOM 746 NH2 ARG 97 28.017 52.287 9.119 1.00135.14 1SG 747 ATOM 747 C ARG 97 30.434 58.108 10.724 1.00135.14 1SG 748 ATOM 748 O ARG 97 30.834 59.139 10.186 1.00135.14 1SG 749 ATOM 749 N TYR 98 30.797 56.877 10.296 1.00 56.31 1SG 750 ATOM 750 CA TYR 98 31.661 56.667 9.164 1.00 56.31 1SG 751 ATOM 751 CB TYR 98 33.020 56.011 9.492 1.00 56.31 1SG 752 ATOM 752 CG TYR 98 33.886 56.973 10.236 1.00 56.31 1SG 753 ATOM 753 CD1 TYR 98 34.609 57.927 9.554 1.00 56.31 1SG 754 ATOM 754 CD2 TYR 98 33.993 56.920 11.607 1.00 56.31 1SG 755 ATOM 755 CE1 TYR 98 35.416 58.815 10.226 1.00 56.31 1SG 756 ATOM 756 CE2 TYR 98 34.799 57.805 12.285 1.00 56.31 1SG 757 ATOM 757 CZ TYR 98 35.512 58.755 11.595 1.00 56.31 1SG 758 ATOM 758 OH TYR 98 36.341 59.666 12.284 1.00 56.31 1SG 759 ATOM 759 C TYR 98 30.967 55.743 8.208 1.00 56.31 1SG 760 ATOM 760 O TYR 98 29.956 55.125 8.539 1.00 56.31 1SG 761 ATOM 761 N GLU 99 31.509 55.643 6.975 1.00 42.05 1SG 762 ATOM 762 CA GLU 99 30.941 54.839 5.926 1.00 42.05 1SG 763 ATOM 763 CB GLU 99 31.630 55.033 4.563 1.00 42.05 1SG 764 ATOM 764 CG GLU 99 31.504 56.464 4.025 1.00 42.05 1SG 765 ATOM 765 CD GLU 99 32.020 56.485 2.593 1.00 42.05 1SG 766 ATOM 766 OE1 GLU 99 32.200 55.375 2.023 1.00 42.05 1SG 767 ATOM 767 OE2 GLU 99 32.237 57.601 2.049 1.00 42.05 1SG 768 ATOM 768 C GLU 99 31.031 53.394 6.321 1.00 42.05 1SG 769 ATOM 769 O GLU 99 31.806 53.028 7.203 1.00 42.05 1SG 770 ATOM 770 N LYS 100 30.211 52.529 5.684 1.00 92.71 1SG 771 ATOM 771 CA LYS 100 30.114 51.161 6.125 1.00 92.71 1SG 772 ATOM 772 CB LYS 100 28.663 50.688 6.271 1.00 92.71 1SG 773 ATOM 773 CG LYS 100 28.559 49.183 6.521 1.00 92.71 1SG 774 ATOM 774 CD LYS 100 27.118 48.688 6.595 1.00 92.71 1SG 775 ATOM 775 CE LYS 100 26.427 48.665 5.229 1.00 92.71 1SG 776 ATOM 776 NZ LYS 100 25.029 48.213 5.400 1.00 92.71 1SG 777 ATOM 777 C LYS 100 30.684 50.168 5.160 1.00 92.71 1SG 778 ATOM 778 O LYS 100 30.207 50.020 4.035 1.00 92.71 1SG 779 ATOM 779 N PRO 101 31.712 49.484 5.586 1.00151.37 1SG 780 ATOM 780 CA PRO 101 32.151 48.331 4.838 1.00151.37 1SG 781 ATOM 781 CD PRO 101 32.831 50.198 6.183 1.00151.37 1SG 782 ATOM 782 CB PRO 101 33.647 48.184 5.113 1.00151.37 1SG 783 ATOM 783 CG PRO 101 34.093 49.589 5.554 1.00151.37 1SG 784 ATOM 784 C PRO 101 31.342 47.180 5.387 1.00151.37 1SG 785 ATOM 785 O PRO 101 30.864 47.308 6.514 1.00151.37 1SG 786 ATOM 786 N LEU 102 31.154 46.055 4.657 1.00 85.45 1SG 787 ATOM 787 CA LEU 102 30.398 44.996 5.282 1.00 85.45 1SG 788 ATOM 788 CB LEU 102 28.881 45.003 5.028 1.00 85.45 1SG 789 ATOM 789 CG LEU 102 28.110 46.013 5.884 1.00 85.45 1SG 790 ATOM 790 CD2 LEU 102 28.590 45.990 7.344 1.00 85.45 1SG 791 ATOM 791 CD1 LEU 102 26.597 45.781 5.762 1.00 85.45 1SG 792 ATOM 792 C LEU 102 30.836 43.623 4.888 1.00 85.45 1SG 793 ATOM 793 O LEU 102 31.493 43.415 3.868 1.00 85.45 1SG 794 ATOM 794 N HIS 103 30.475 42.664 5.776 1.00 97.91 1SG 795 ATOM 795 CA HIS 103 30.581 41.235 5.645 1.00 97.91 1SG 796 ATOM 796 ND1 HIS 103 33.588 42.067 4.816 1.00 97.91 1SG 797 ATOM 797 CG HIS 103 33.047 40.855 5.187 1.00 97.91 1SG 798 ATOM 798 CB HIS 103 31.922 40.682 6.168 1.00 97.91 1SG 799 ATOM 799 NE2 HIS 103 34.668 40.509 3.654 1.00 97.91 1SG 800 ATOM 800 CD2 HIS 103 33.721 39.915 4.469 1.00 97.91 1SG 801 ATOM 801 CE1 HIS 103 34.551 41.802 3.898 1.00 97.91 1SG 802 ATOM 802 C HIS 103 29.454 40.675 6.487 1.00 97.91 1SG 803 ATOM 803 O HIS 103 29.328 41.048 7.651 1.00 97.91 1SG 804 ATOM 804 N VAL 104 28.593 39.776 5.935 1.00 55.84 1SG 805 ATOM 805 CA VAL 104 27.489 39.252 6.718 1.00 55.84 1SG 806 ATOM 806 CB VAL 104 26.134 39.670 6.218 1.00 55.84 1SG 807 ATOM 807 CG1 VAL 104 25.054 38.934 7.032 1.00 55.84 1SG 808 ATOM 808 CG2 VAL 104 26.030 41.201 6.323 1.00 55.84 1SG 809 ATOM 809 C VAL 104 27.508 37.745 6.711 1.00 55.84 1SG 810 ATOM 810 O VAL 104 27.448 37.091 5.674 1.00 55.84 1SG 811 ATOM 811 N PRO 105 27.545 37.223 7.907 1.00112.38 1SG 812 ATOM 812 CA PRO 105 27.690 35.823 8.258 1.00112.38 1SG 813 ATOM 813 CD PRO 105 27.458 38.086 9.068 1.00112.38 1SG 814 ATOM 814 CB PRO 105 28.068 35.841 9.735 1.00112.38 1SG 815 ATOM 815 CG PRO 105 27.396 37.126 10.259 1.00112.38 1SG 816 ATOM 816 C PRO 105 26.466 34.969 8.088 1.00112.38 1SG 817 ATOM 817 O PRO 105 25.374 35.515 7.937 1.00112.38 1SG 818 ATOM 818 N ARG 106 26.641 33.622 8.117 1.00131.63 1SG 819 ATOM 819 CA ARG 106 25.523 32.719 8.104 1.00131.63 1SG 820 ATOM 820 CB ARG 106 25.276 31.931 6.805 1.00131.63 1SG 821 ATOM 821 CG ARG 106 23.907 31.248 6.884 1.00131.63 1SG 822 ATOM 822 CD ARG 106 23.561 30.225 5.805 1.00131.63 1SG 823 ATOM 823 NE ARG 106 22.220 29.691 6.183 1.00131.63 1SG 824 ATOM 824 CZ ARG 106 21.743 28.525 5.657 1.00131.63 1SG 825 ATOM 825 NH1 ARG 106 22.464 27.845 4.720 1.00131.63 1SG 826 ATOM 826 NH2 ARG 106 20.540 28.036 6.079 1.00131.63 1SG 827 ATOM 827 C ARG 106 25.722 31.704 9.198 1.00131.63 1SG 828 ATOM 828 O ARG 106 26.833 31.504 9.687 1.00131.63 1SG 829 ATOM 829 N ARG 107 24.611 31.055 9.609 1.00115.09 1SG 830 ATOM 830 CA ARG 107 24.502 30.109 10.693 1.00115.09 1SG 831 ATOM 831 CB ARG 107 23.055 29.809 11.140 1.00115.09 1SG 832 ATOM 832 CG ARG 107 23.011 29.091 12.496 1.00115.09 1SG 833 ATOM 833 CD ARG 107 21.609 28.767 13.020 1.00115.09 1SG 834 ATOM 834 NE ARG 107 21.784 28.097 14.342 1.00115.09 1SG 835 ATOM 835 CZ ARG 107 21.897 28.854 15.474 1.00115.09 1SG 836 ATOM 836 NH1 ARG 107 21.788 30.213 15.405 1.00115.09 1SG 837 ATOM 837 NH2 ARG 107 22.113 28.265 16.686 1.00115.09 1SG 838 ATOM 838 C ARG 107 25.180 28.773 10.488 1.00115.09 1SG 839 ATOM 839 O ARG 107 25.565 28.194 11.503 1.00115.09 1SG 840 ATOM 840 N PRO 108 25.370 28.203 9.318 1.00155.84 1SG 841 ATOM 841 CA PRO 108 25.869 26.850 9.234 1.00155.84 1SG 842 ATOM 842 CD PRO 108 24.648 28.580 8.114 1.00155.84 1SG 843 ATOM 843 CB PRO 108 25.914 26.526 7.742 1.00155.84 1SG 844 ATOM 844 CG PRO 108 24.770 27.379 7.158 1.00155.84 1SG 845 ATOM 845 C PRO 108 27.113 26.506 10.003 1.00155.84 1SG 846 ATOM 846 O PRO 108 27.118 25.457 10.644 1.00155.84 1SG 847 ATOM 847 N GLY 109 28.176 27.326 9.964 1.00204.69 1SG 848 ATOM 848 CA GLY 109 29.311 27.076 10.814 1.00204.69 1SG 849 ATOM 849 C GLY 109 30.083 25.829 10.495 1.00204.69 1SG 850 ATOM 850 O GLY 109 30.378 25.528 9.340 1.00204.69 1SG 851 ATOM 851 N ARG 110 30.432 25.090 11.577 1.00321.70 1SG 852 ATOM 852 CA ARG 110 31.345 23.976 11.605 1.00321.70 1SG 853 ATOM 853 CB ARG 110 31.416 23.145 10.309 1.00321.70 1SG 854 ATOM 854 CG ARG 110 30.185 22.302 9.961 1.00321.70 1SG 855 ATOM 855 CD ARG 110 28.982 23.105 9.459 1.00321.70 1SG 856 ATOM 856 NE ARG 110 28.049 22.153 8.788 1.00321.70 1SG 857 ATOM 857 CZ ARG 110 27.925 22.175 7.428 1.00321.70 1SG 858 ATOM 858 NH1 ARG 110 28.607 23.100 6.691 1.00321.70 1SG 859 ATOM 859 NH2 ARG 110 27.104 21.285 6.797 1.00321.70 1SG 860 ATOM 860 C ARG 110 32.660 24.664 11.689 1.00321.70 1SG 861 ATOM 861 O ARG 110 33.468 24.589 10.765 1.00321.70 1SG 862 ATOM 862 N VAL 111 32.918 25.360 12.815 1.00108.46 1SG 863 ATOM 863 CA VAL 111 34.051 26.237 12.794 1.00108.46 1SG 864 ATOM 864 CB VAL 111 33.632 27.589 12.284 1.00108.46 1SG 865 ATOM 865 CG1 VAL 111 34.886 28.353 11.949 1.00108.46 1SG 866 ATOM 866 CG2 VAL 111 32.682 27.512 11.077 1.00108.46 1SG 867 ATOM 867 C VAL 111 34.501 26.416 14.230 1.00108.46 1SG 868 ATOM 868 O VAL 111 33.986 25.737 15.116 1.00108.46 1SG 869 ATOM 869 N MET 112 35.477 27.326 14.513 1.00 77.23 1SG 870 ATOM 870 CA MET 112 35.879 27.580 15.886 1.00 77.23 1SG 871 ATOM 871 CB MET 112 37.349 27.211 16.126 1.00 77.23 1SG 872 ATOM 872 CG MET 112 37.629 25.746 15.797 1.00 77.23 1SG 873 ATOM 873 SD MET 112 39.382 25.278 15.823 1.00 77.23 1SG 874 ATOM 874 CE MET 112 39.106 23.665 15.036 1.00 77.23 1SG 875 ATOM 875 C MET 112 35.732 29.057 16.226 1.00 77.23 1SG 876 ATOM 876 O MET 112 36.315 29.906 15.554 1.00 77.23 1SG 877 ATOM 877 N PHE 113 34.997 29.403 17.323 1.00438.61 1SG 878 ATOM 878 CA PHE 113 34.729 30.787 17.685 1.00438.61 1SG 879 ATOM 879 CB PHE 113 33.329 31.056 18.313 1.00438.61 1SG 880 ATOM 880 CG PHE 113 32.353 30.744 17.249 1.00438.61 1SG 881 ATOM 881 CD1 PHE 113 31.857 28.992 17.051 1.00438.61 1SG 882 ATOM 882 CD2 PHE 113 31.658 32.056 16.105 1.00438.61 1SG 883 ATOM 883 CE1 PHE 113 30.707 28.477 15.741 1.00438.61 1SG 884 ATOM 884 CE2 PHE 113 30.466 31.519 14.720 1.00438.61 1SG 885 ATOM 885 CZ PHE 113 30.008 29.696 14.567 1.00438.61 1SG 886 ATOM 886 C PHE 113 35.677 31.228 18.749 1.00438.61 1SG 887 ATOM 887 O PHE 113 36.039 30.456 19.636 1.00438.61 1SG 888 ATOM 888 N VAL 114 36.120 32.499 18.668 1.00 51.44 1SG 889 ATOM 889 CA VAL 114 36.944 33.047 19.707 1.00 51.44 1SG 890 ATOM 890 CB VAL 114 38.425 32.872 19.510 1.00 51.44 1SG 891 ATOM 891 CG1 VAL 114 39.154 33.548 20.682 1.00 51.44 1SG 892 ATOM 892 CG2 VAL 114 38.749 31.375 19.370 1.00 51.44 1SG 893 ATOM 893 C VAL 114 36.684 34.519 19.755 1.00 51.44 1SG 894 ATOM 894 O VAL 114 36.467 35.158 18.726 1.00 51.44 1SG 895 ATOM 895 N ASP 115 36.706 35.093 20.973 1.00 49.81 1SG 896 ATOM 896 CA ASP 115 36.471 36.495 21.150 1.00 49.81 1SG 897 ATOM 897 CB ASP 115 35.551 36.822 22.339 1.00 49.81 1SG 898 ATOM 898 CG ASP 115 34.133 36.408 21.982 1.00 49.81 1SG 899 ATOM 899 OD1 ASP 115 33.893 36.066 20.793 1.00 49.81 1SG 900 ATOM 900 OD2 ASP 115 33.268 36.430 22.898 1.00 49.81 1SG 901 ATOM 901 C ASP 115 37.787 37.135 21.440 1.00 49.81 1SG 902 ATOM 902 O ASP 115 38.581 36.627 22.230 1.00 49.81 1SG 903 ATOM 903 N LEU 116 38.048 38.273 20.776 1.00 94.83 1SG 904 ATOM 904 CA LEU 116 39.262 39.012 20.951 1.00 94.83 1SG 905 ATOM 905 CB LEU 116 39.396 40.160 19.944 1.00 94.83 1SG 906 ATOM 906 CG LEU 116 39.860 39.641 18.576 1.00 94.83 1SG 907 ATOM 907 CD2 LEU 116 39.951 40.776 17.542 1.00 94.83 1SG 908 ATOM 908 CD1 LEU 116 38.982 38.472 18.114 1.00 94.83 1SG 909 ATOM 909 C LEU 116 39.335 39.560 22.337 1.00 94.83 1SG 910 ATOM 910 O LEU 116 40.416 39.665 22.911 1.00 94.83 1SG 911 ATOM 911 N SER 117 38.189 39.945 22.920 1.00 26.78 1SG 912 ATOM 912 CA SER 117 38.257 40.518 24.233 1.00 26.78 1SG 913 ATOM 913 CB SER 117 36.878 40.906 24.790 1.00 26.78 1SG 914 ATOM 914 OG SER 117 37.008 41.469 26.087 1.00 26.78 1SG 915 ATOM 915 C SER 117 38.844 39.500 25.151 1.00 26.78 1SG 916 ATOM 916 O SER 117 39.673 39.817 26.003 1.00 26.78 1SG 917 ATOM 917 N GLU 118 38.425 38.236 24.983 1.00 71.80 1SG 918 ATOM 918 CA GLU 118 38.873 37.165 25.819 1.00 71.80 1SG 919 ATOM 919 CB GLU 118 38.089 35.860 25.604 1.00 71.80 1SG 920 ATOM 920 CG GLU 118 38.468 34.761 26.598 1.00 71.80 1SG 921 ATOM 921 CD GLU 118 37.507 33.596 26.410 1.00 71.80 1SG 922 ATOM 922 OE1 GLU 118 36.583 33.723 25.564 1.00 71.80 1SG 923 ATOM 923 OE2 GLU 118 37.682 32.564 27.113 1.00 71.80 1SG 924 ATOM 924 C GLU 118 40.323 36.874 25.580 1.00 71.80 1SG 925 ATOM 925 O GLU 118 41.030 36.493 26.512 1.00 71.80 1SG 926 ATOM 926 N VAL 119 40.805 37.056 24.332 1.00111.61 1SG 927 ATOM 927 CA VAL 119 42.144 36.659 23.985 1.00111.61 1SG 928 ATOM 928 CB VAL 119 42.589 37.032 22.596 1.00111.61 1SG 929 ATOM 929 CG1 VAL 119 41.563 36.499 21.583 1.00111.61 1SG 930 ATOM 930 CG2 VAL 119 42.878 38.540 22.528 1.00111.61 1SG 931 ATOM 931 C VAL 119 43.111 37.290 24.928 1.00111.61 1SG 932 ATOM 932 O VAL 119 42.909 38.403 25.412 1.00111.61 1SG 933 ATOM 933 N ARG 120 44.190 36.542 25.222 1.00139.09 1SG 934 ATOM 934 CA ARG 120 45.202 36.951 26.148 1.00139.09 1SG 935 ATOM 935 CB ARG 120 45.688 35.752 26.982 1.00139.09 1SG 936 ATOM 936 CG ARG 120 46.545 36.076 28.204 1.00139.09 1SG 937 ATOM 937 CD ARG 120 46.961 34.809 28.958 1.00139.09 1SG 938 ATOM 938 NE ARG 120 47.706 35.211 30.182 1.00139.09 1SG 939 ATOM 939 CZ ARG 120 47.781 34.350 31.239 1.00139.09 1SG 940 ATOM 940 NH1 ARG 120 47.166 33.133 31.170 1.00139.09 1SG 941 ATOM 941 NH2 ARG 120 48.466 34.704 32.365 1.00139.09 1SG 942 ATOM 942 C ARG 120 46.351 37.456 25.335 1.00139.09 1SG 943 ATOM 943 O ARG 120 46.785 36.784 24.400 1.00139.09 1SG 944 ATOM 944 N TRP 121 46.867 38.655 25.691 1.00 79.23 1SG 945 ATOM 945 CA TRP 121 47.942 39.292 24.979 1.00 79.23 1SG 946 ATOM 946 CB TRP 121 49.344 38.775 25.357 1.00 79.23 1SG 947 ATOM 947 CG TRP 121 49.929 39.371 26.618 1.00 79.23 1SG 948 ATOM 948 CD2 TRP 121 49.600 38.975 27.959 1.00 79.23 1SG 949 ATOM 949 CD1 TRP 121 50.844 40.378 26.729 1.00 79.23 1SG 950 ATOM 950 NE1 TRP 121 51.113 40.628 28.053 1.00 79.23 1SG 951 ATOM 951 CE2 TRP 121 50.352 39.774 28.822 1.00 79.23 1SG 952 ATOM 952 CE3 TRP 121 48.743 38.028 28.435 1.00 79.23 1SG 953 ATOM 953 CZ2 TRP 121 50.257 39.635 30.177 1.00 79.23 1SG 954 ATOM 954 CZ3 TRP 121 48.650 37.890 29.802 1.00 79.23 1SG 955 ATOM 955 CH2 TRP 121 49.392 38.677 30.657 1.00 79.23 1SG 956 ATOM 956 C TRP 121 47.764 39.155 23.472 1.00 79.23 1SG 957 ATOM 957 O TRP 121 46.707 39.607 22.958 1.00 79.23 1SG 958 ATOM 958 OXT TRP 121 48.686 38.601 22.816 1.00 79.23 1SG 959 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.590 REMARK SCORE 0.590 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 10 PARENT 1S1I_M ATOM 1 N ARG 11 35.698 -15.763 -71.764 1.00162.04 1SG 2 ATOM 2 CA ARG 11 36.851 -16.551 -71.279 1.00162.04 1SG 3 ATOM 3 CB ARG 11 37.286 -16.057 -69.885 1.00162.04 1SG 4 ATOM 4 CG ARG 11 38.406 -16.893 -69.253 1.00162.04 1SG 5 ATOM 5 CD ARG 11 37.954 -17.755 -68.067 1.00162.04 1SG 6 ATOM 6 NE ARG 11 37.703 -16.823 -66.936 1.00162.04 1SG 7 ATOM 7 CZ ARG 11 36.986 -17.191 -65.834 1.00162.04 1SG 8 ATOM 8 NH1 ARG 11 36.492 -18.457 -65.694 1.00162.04 1SG 9 ATOM 9 NH2 ARG 11 36.758 -16.256 -64.868 1.00162.04 1SG 10 ATOM 10 C ARG 11 36.485 -17.996 -71.207 1.00162.04 1SG 11 ATOM 11 O ARG 11 36.344 -18.570 -70.127 1.00162.04 1SG 12 ATOM 12 N GLU 12 36.301 -18.623 -72.382 1.00167.52 1SG 13 ATOM 13 CA GLU 12 35.980 -20.016 -72.411 1.00167.52 1SG 14 ATOM 14 CB GLU 12 34.521 -20.333 -72.813 1.00167.52 1SG 15 ATOM 15 CG GLU 12 34.191 -21.825 -72.707 1.00167.52 1SG 16 ATOM 16 CD GLU 12 32.679 -22.012 -72.749 1.00167.52 1SG 17 ATOM 17 OE1 GLU 12 31.973 -21.071 -73.198 1.00167.52 1SG 18 ATOM 18 OE2 GLU 12 32.211 -23.103 -72.326 1.00167.52 1SG 19 ATOM 19 C GLU 12 36.989 -20.671 -73.310 1.00167.52 1SG 20 ATOM 20 O GLU 12 37.955 -21.201 -72.765 1.00167.52 1SG 21 ATOM 21 N PRO 13 36.873 -20.725 -74.624 1.00 83.18 1SG 22 ATOM 22 CA PRO 13 37.909 -21.323 -75.422 1.00 83.18 1SG 23 ATOM 23 CD PRO 13 35.937 -19.955 -75.434 1.00 83.18 1SG 24 ATOM 24 CB PRO 13 37.477 -21.145 -76.879 1.00 83.18 1SG 25 ATOM 25 CG PRO 13 36.560 -19.910 -76.839 1.00 83.18 1SG 26 ATOM 26 C PRO 13 39.227 -20.676 -75.124 1.00 83.18 1SG 27 ATOM 27 O PRO 13 40.226 -21.391 -75.048 1.00 83.18 1SG 28 ATOM 28 N TYR 14 39.282 -19.344 -74.928 1.00157.22 1SG 29 ATOM 29 CA TYR 14 40.588 -18.863 -74.609 1.00157.22 1SG 30 ATOM 30 CB TYR 14 40.957 -17.534 -75.280 1.00157.22 1SG 31 ATOM 31 CG TYR 14 42.356 -17.270 -74.860 1.00157.22 1SG 32 ATOM 32 CD1 TYR 14 43.389 -18.072 -75.299 1.00157.22 1SG 33 ATOM 33 CD2 TYR 14 42.635 -16.210 -74.040 1.00157.22 1SG 34 ATOM 34 CE1 TYR 14 44.689 -17.833 -74.912 1.00157.22 1SG 35 ATOM 35 CE2 TYR 14 43.925 -15.977 -73.660 1.00157.22 1SG 36 ATOM 36 CZ TYR 14 44.951 -16.778 -74.077 1.00157.22 1SG 37 ATOM 37 OH TYR 14 46.261 -16.481 -73.651 1.00157.22 1SG 38 ATOM 38 C TYR 14 40.632 -18.726 -73.126 1.00157.22 1SG 39 ATOM 39 O TYR 14 40.874 -17.667 -72.549 1.00157.22 1SG 40 ATOM 40 N ALA 15 40.333 -19.860 -72.485 1.00228.35 1SG 41 ATOM 41 CA ALA 15 40.466 -20.122 -71.092 1.00228.35 1SG 42 ATOM 42 CB ALA 15 39.234 -19.714 -70.266 1.00228.35 1SG 43 ATOM 43 C ALA 15 40.496 -21.603 -71.148 1.00228.35 1SG 44 ATOM 44 O ALA 15 39.469 -22.267 -71.007 1.00228.35 1SG 45 ATOM 45 N SER 16 41.702 -22.145 -71.363 1.00219.71 1SG 46 ATOM 46 CA SER 16 41.876 -23.540 -71.619 1.00219.71 1SG 47 ATOM 47 CB SER 16 40.779 -24.150 -72.507 1.00219.71 1SG 48 ATOM 48 OG SER 16 41.039 -25.530 -72.712 1.00219.71 1SG 49 ATOM 49 C SER 16 43.123 -23.547 -72.427 1.00219.71 1SG 50 ATOM 50 O SER 16 44.135 -24.138 -72.055 1.00219.71 1SG 51 ATOM 51 N LEU 17 43.039 -22.866 -73.586 1.00 57.55 1SG 52 ATOM 52 CA LEU 17 44.154 -22.671 -74.457 1.00 57.55 1SG 53 ATOM 53 CB LEU 17 43.798 -21.809 -75.680 1.00 57.55 1SG 54 ATOM 54 CG LEU 17 44.973 -21.578 -76.646 1.00 57.55 1SG 55 ATOM 55 CD2 LEU 17 44.662 -20.459 -77.654 1.00 57.55 1SG 56 ATOM 56 CD1 LEU 17 45.391 -22.892 -77.325 1.00 57.55 1SG 57 ATOM 57 C LEU 17 45.114 -21.897 -73.624 1.00 57.55 1SG 58 ATOM 58 O LEU 17 46.325 -22.088 -73.684 1.00 57.55 1SG 59 ATOM 59 N ILE 18 44.570 -20.987 -72.801 1.00 92.20 1SG 60 ATOM 60 CA ILE 18 45.390 -20.241 -71.902 1.00 92.20 1SG 61 ATOM 61 CB ILE 18 44.603 -19.314 -71.025 1.00 92.20 1SG 62 ATOM 62 CG2 ILE 18 43.434 -20.070 -70.372 1.00 92.20 1SG 63 ATOM 63 CG1 ILE 18 45.550 -18.641 -70.027 1.00 92.20 1SG 64 ATOM 64 CD1 ILE 18 44.822 -17.680 -69.101 1.00 92.20 1SG 65 ATOM 65 C ILE 18 46.048 -21.218 -70.982 1.00 92.20 1SG 66 ATOM 66 O ILE 18 47.242 -21.123 -70.703 1.00 92.20 1SG 67 ATOM 67 N VAL 19 45.268 -22.202 -70.502 1.00 22.85 1SG 68 ATOM 68 CA VAL 19 45.745 -23.158 -69.552 1.00 22.85 1SG 69 ATOM 69 CB VAL 19 44.688 -24.143 -69.157 1.00 22.85 1SG 70 ATOM 70 CG1 VAL 19 45.314 -25.175 -68.205 1.00 22.85 1SG 71 ATOM 71 CG2 VAL 19 43.502 -23.368 -68.554 1.00 22.85 1SG 72 ATOM 72 C VAL 19 46.870 -23.922 -70.163 1.00 22.85 1SG 73 ATOM 73 O VAL 19 47.891 -24.159 -69.519 1.00 22.85 1SG 74 ATOM 74 N ASP 20 46.725 -24.308 -71.443 1.00 51.14 1SG 75 ATOM 75 CA ASP 20 47.752 -25.081 -72.070 1.00 51.14 1SG 76 ATOM 76 CB ASP 20 47.374 -25.661 -73.454 1.00 51.14 1SG 77 ATOM 77 CG ASP 20 47.144 -24.574 -74.490 1.00 51.14 1SG 78 ATOM 78 OD1 ASP 20 48.032 -23.696 -74.652 1.00 51.14 1SG 79 ATOM 79 OD2 ASP 20 46.065 -24.607 -75.139 1.00 51.14 1SG 80 ATOM 80 C ASP 20 48.981 -24.237 -72.151 1.00 51.14 1SG 81 ATOM 81 O ASP 20 50.094 -24.758 -72.185 1.00 51.14 1SG 82 ATOM 82 N GLY 21 48.815 -22.897 -72.159 1.00 38.83 1SG 83 ATOM 83 CA GLY 21 49.983 -22.070 -72.229 1.00 38.83 1SG 84 ATOM 84 C GLY 21 49.877 -21.046 -73.320 1.00 38.83 1SG 85 ATOM 85 O GLY 21 50.750 -20.186 -73.419 1.00 38.83 1SG 86 ATOM 86 N ARG 22 48.836 -21.083 -74.178 1.00104.30 1SG 87 ATOM 87 CA ARG 22 48.781 -20.030 -75.155 1.00104.30 1SG 88 ATOM 88 CB ARG 22 47.634 -20.153 -76.179 1.00104.30 1SG 89 ATOM 89 CG ARG 22 47.978 -21.017 -77.400 1.00104.30 1SG 90 ATOM 90 CD ARG 22 48.299 -22.478 -77.085 1.00104.30 1SG 91 ATOM 91 NE ARG 22 48.607 -23.169 -78.369 1.00104.30 1SG 92 ATOM 92 CZ ARG 22 48.710 -24.531 -78.407 1.00104.30 1SG 93 ATOM 93 NH1 ARG 22 48.520 -25.264 -77.271 1.00104.30 1SG 94 ATOM 94 NH2 ARG 22 49.000 -25.160 -79.583 1.00104.30 1SG 95 ATOM 95 C ARG 22 48.654 -18.728 -74.421 1.00104.30 1SG 96 ATOM 96 O ARG 22 47.785 -18.549 -73.571 1.00104.30 1SG 97 ATOM 97 N LYS 23 49.598 -17.816 -74.726 1.00123.64 1SG 98 ATOM 98 CA LYS 23 49.817 -16.514 -74.156 1.00123.64 1SG 99 ATOM 99 CB LYS 23 51.156 -15.923 -74.636 1.00123.64 1SG 100 ATOM 100 CG LYS 23 52.404 -16.779 -74.390 1.00123.64 1SG 101 ATOM 101 CD LYS 23 52.814 -16.927 -72.926 1.00123.64 1SG 102 ATOM 102 CE LYS 23 54.205 -17.544 -72.760 1.00123.64 1SG 103 ATOM 103 NZ LYS 23 54.668 -17.393 -71.363 1.00123.64 1SG 104 ATOM 104 C LYS 23 48.805 -15.479 -74.567 1.00123.64 1SG 105 ATOM 105 O LYS 23 48.390 -14.654 -73.754 1.00123.64 1SG 106 ATOM 106 N VAL 24 48.368 -15.517 -75.841 1.00145.99 1SG 107 ATOM 107 CA VAL 24 47.780 -14.358 -76.459 1.00145.99 1SG 108 ATOM 108 CB VAL 24 47.976 -14.275 -77.942 1.00145.99 1SG 109 ATOM 109 CG1 VAL 24 49.475 -14.036 -78.202 1.00145.99 1SG 110 ATOM 110 CG2 VAL 24 47.415 -15.544 -78.598 1.00145.99 1SG 111 ATOM 111 C VAL 24 46.389 -13.926 -76.132 1.00145.99 1SG 112 ATOM 112 O VAL 24 45.501 -14.655 -75.702 1.00145.99 1SG 113 ATOM 113 N TRP 25 46.259 -12.623 -76.427 1.00154.11 1SG 114 ATOM 114 CA TRP 25 45.302 -11.578 -76.236 1.00154.11 1SG 115 ATOM 115 CB TRP 25 45.910 -10.329 -76.874 1.00154.11 1SG 116 ATOM 116 CG TRP 25 45.707 -9.002 -76.219 1.00154.11 1SG 117 ATOM 117 CD2 TRP 25 46.804 -8.343 -75.576 1.00154.11 1SG 118 ATOM 118 CD1 TRP 25 44.655 -8.136 -76.186 1.00154.11 1SG 119 ATOM 119 NE1 TRP 25 45.030 -6.976 -75.554 1.00154.11 1SG 120 ATOM 120 CE2 TRP 25 46.354 -7.087 -75.178 1.00154.11 1SG 121 ATOM 121 CE3 TRP 25 48.088 -8.749 -75.353 1.00154.11 1SG 122 ATOM 122 CZ2 TRP 25 47.191 -6.207 -74.553 1.00154.11 1SG 123 ATOM 123 CZ3 TRP 25 48.924 -7.869 -74.705 1.00154.11 1SG 124 ATOM 124 CH2 TRP 25 48.483 -6.622 -74.314 1.00154.11 1SG 125 ATOM 125 C TRP 25 44.040 -11.834 -77.002 1.00154.11 1SG 126 ATOM 126 O TRP 25 44.012 -12.594 -77.970 1.00154.11 1SG 127 ATOM 127 N GLU 26 42.942 -11.205 -76.528 1.00 91.97 1SG 128 ATOM 128 CA GLU 26 41.711 -11.166 -77.262 1.00 91.97 1SG 129 ATOM 129 CB GLU 26 40.424 -11.427 -76.451 1.00 91.97 1SG 130 ATOM 130 CG GLU 26 39.170 -11.529 -77.333 1.00 91.97 1SG 131 ATOM 131 CD GLU 26 37.985 -11.949 -76.468 1.00 91.97 1SG 132 ATOM 132 OE1 GLU 26 38.209 -12.234 -75.262 1.00 91.97 1SG 133 ATOM 133 OE2 GLU 26 36.844 -11.993 -77.001 1.00 91.97 1SG 134 ATOM 134 C GLU 26 41.669 -9.767 -77.769 1.00 91.97 1SG 135 ATOM 135 O GLU 26 42.181 -8.848 -77.130 1.00 91.97 1SG 136 ATOM 136 N ILE 27 41.067 -9.573 -78.949 1.00102.37 1SG 137 ATOM 137 CA ILE 27 41.126 -8.298 -79.588 1.00102.37 1SG 138 ATOM 138 CB ILE 27 41.870 -8.395 -80.882 1.00102.37 1SG 139 ATOM 139 CG2 ILE 27 41.012 -9.242 -81.838 1.00102.37 1SG 140 ATOM 140 CG1 ILE 27 42.236 -7.014 -81.424 1.00102.37 1SG 141 ATOM 141 CD1 ILE 27 43.274 -7.057 -82.543 1.00102.37 1SG 142 ATOM 142 C ILE 27 39.737 -7.891 -79.914 1.00102.37 1SG 143 ATOM 143 O ILE 27 38.819 -8.710 -79.926 1.00102.37 1SG 144 ATOM 144 N ARG 28 39.570 -6.585 -80.193 1.00126.33 1SG 145 ATOM 145 CA ARG 28 38.289 -6.058 -80.534 1.00126.33 1SG 146 ATOM 146 CB ARG 28 37.622 -6.844 -81.676 1.00126.33 1SG 147 ATOM 147 CG ARG 28 36.391 -6.160 -82.270 1.00126.33 1SG 148 ATOM 148 CD ARG 28 35.960 -6.762 -83.610 1.00126.33 1SG 149 ATOM 149 NE ARG 28 37.092 -6.564 -84.561 1.00126.33 1SG 150 ATOM 150 CZ ARG 28 37.010 -7.042 -85.837 1.00126.33 1SG 151 ATOM 151 NH1 ARG 28 35.871 -7.662 -86.261 1.00126.33 1SG 152 ATOM 152 NH2 ARG 28 38.071 -6.905 -86.686 1.00126.33 1SG 153 ATOM 153 C ARG 28 37.439 -6.121 -79.319 1.00126.33 1SG 154 ATOM 154 O ARG 28 36.212 -6.153 -79.404 1.00126.33 1SG 155 ATOM 155 N ARG 29 38.095 -6.132 -78.143 1.00188.23 1SG 156 ATOM 156 CA ARG 29 37.355 -6.048 -76.930 1.00188.23 1SG 157 ATOM 157 CB ARG 29 38.281 -6.121 -75.714 1.00188.23 1SG 158 ATOM 158 CG ARG 29 37.709 -5.823 -74.336 1.00188.23 1SG 159 ATOM 159 CD ARG 29 38.614 -6.481 -73.295 1.00188.23 1SG 160 ATOM 160 NE ARG 29 38.314 -5.946 -71.955 1.00188.23 1SG 161 ATOM 161 CZ ARG 29 39.339 -5.619 -71.117 1.00188.23 1SG 162 ATOM 162 NH1 ARG 29 40.602 -6.056 -71.393 1.00188.23 1SG 163 ATOM 163 NH2 ARG 29 39.102 -4.819 -70.036 1.00188.23 1SG 164 ATOM 164 C ARG 29 36.744 -4.717 -77.051 1.00188.23 1SG 165 ATOM 165 O ARG 29 37.399 -3.678 -76.992 1.00188.23 1SG 166 ATOM 166 N ARG 30 35.433 -4.748 -77.246 1.00151.68 1SG 167 ATOM 167 CA ARG 30 34.749 -3.577 -77.636 1.00151.68 1SG 168 ATOM 168 CB ARG 30 35.404 -2.951 -78.876 1.00151.68 1SG 169 ATOM 169 CG ARG 30 34.685 -1.728 -79.438 1.00151.68 1SG 170 ATOM 170 CD ARG 30 33.790 -2.062 -80.629 1.00151.68 1SG 171 ATOM 171 NE ARG 30 33.283 -0.777 -81.184 1.00151.68 1SG 172 ATOM 172 CZ ARG 30 33.381 -0.545 -82.525 1.00151.68 1SG 173 ATOM 173 NH1 ARG 30 33.981 -1.469 -83.331 1.00151.68 1SG 174 ATOM 174 NH2 ARG 30 32.891 0.612 -83.058 1.00151.68 1SG 175 ATOM 175 C ARG 30 33.473 -4.167 -78.048 1.00151.68 1SG 176 ATOM 176 O ARG 30 32.510 -4.227 -77.286 1.00151.68 1SG 177 ATOM 177 N LYS 31 33.469 -4.654 -79.296 1.00 68.75 1SG 178 ATOM 178 CA LYS 31 32.285 -5.281 -79.742 1.00 68.75 1SG 179 ATOM 179 CB LYS 31 32.108 -5.248 -81.259 1.00 68.75 1SG 180 ATOM 180 CG LYS 31 31.655 -3.861 -81.713 1.00 68.75 1SG 181 ATOM 181 CD LYS 31 31.678 -3.665 -83.226 1.00 68.75 1SG 182 ATOM 182 CE LYS 31 31.246 -2.267 -83.671 1.00 68.75 1SG 183 ATOM 183 NZ LYS 31 31.392 -2.142 -85.139 1.00 68.75 1SG 184 ATOM 184 C LYS 31 32.256 -6.678 -79.228 1.00 68.75 1SG 185 ATOM 185 O LYS 31 32.818 -7.600 -79.820 1.00 68.75 1SG 186 ATOM 186 N THR 32 31.615 -6.834 -78.055 1.00117.77 1SG 187 ATOM 187 CA THR 32 31.409 -8.111 -77.447 1.00117.77 1SG 188 ATOM 188 CB THR 32 32.598 -8.556 -76.636 1.00117.77 1SG 189 ATOM 189 OG1 THR 32 32.580 -9.960 -76.427 1.00117.77 1SG 190 ATOM 190 CG2 THR 32 32.567 -7.831 -75.284 1.00117.77 1SG 191 ATOM 191 C THR 32 30.215 -7.913 -76.547 1.00117.77 1SG 192 ATOM 192 O THR 32 30.080 -6.867 -75.913 1.00117.77 1SG 193 ATOM 193 N ARG 33 29.295 -8.897 -76.477 1.00153.98 1SG 194 ATOM 194 CA ARG 33 28.131 -8.714 -75.651 1.00153.98 1SG 195 ATOM 195 CB ARG 33 27.021 -7.939 -76.385 1.00153.98 1SG 196 ATOM 196 CG ARG 33 25.605 -8.313 -75.968 1.00153.98 1SG 197 ATOM 197 CD ARG 33 25.128 -9.520 -76.761 1.00153.98 1SG 198 ATOM 198 NE ARG 33 23.655 -9.573 -76.695 1.00153.98 1SG 199 ATOM 199 CZ ARG 33 23.076 -10.458 -77.544 1.00153.98 1SG 200 ATOM 200 NH1 ARG 33 23.900 -11.200 -78.337 1.00153.98 1SG 201 ATOM 201 NH2 ARG 33 21.722 -10.597 -77.599 1.00153.98 1SG 202 ATOM 202 C ARG 33 27.575 -10.044 -75.239 1.00153.98 1SG 203 ATOM 203 O ARG 33 27.708 -11.038 -75.949 1.00153.98 1SG 204 ATOM 204 N HIS 34 26.914 -10.100 -74.064 1.00105.03 1SG 205 ATOM 205 CA HIS 34 26.298 -11.340 -73.686 1.00105.03 1SG 206 ATOM 206 ND1 HIS 34 26.226 -14.171 -71.994 1.00105.03 1SG 207 ATOM 207 CG HIS 34 25.598 -12.951 -71.864 1.00105.03 1SG 208 ATOM 208 CB HIS 34 26.244 -11.626 -72.172 1.00105.03 1SG 209 ATOM 209 NE2 HIS 34 24.160 -14.596 -71.294 1.00105.03 1SG 210 ATOM 210 CD2 HIS 34 24.336 -13.231 -71.435 1.00105.03 1SG 211 ATOM 211 CE1 HIS 34 25.321 -15.119 -71.641 1.00105.03 1SG 212 ATOM 212 C HIS 34 24.899 -11.272 -74.197 1.00105.03 1SG 213 ATOM 213 O HIS 34 24.273 -10.212 -74.184 1.00105.03 1SG 214 ATOM 214 N ARG 35 24.364 -12.413 -74.670 1.00126.89 1SG 215 ATOM 215 CA ARG 35 23.067 -12.359 -75.270 1.00126.89 1SG 216 ATOM 216 CB ARG 35 22.598 -13.651 -75.971 1.00126.89 1SG 217 ATOM 217 CG ARG 35 21.203 -13.453 -76.579 1.00126.89 1SG 218 ATOM 218 CD ARG 35 20.572 -14.650 -77.293 1.00126.89 1SG 219 ATOM 219 NE ARG 35 19.209 -14.213 -77.723 1.00126.89 1SG 220 ATOM 220 CZ ARG 35 18.342 -15.085 -78.318 1.00126.89 1SG 221 ATOM 221 NH1 ARG 35 18.722 -16.372 -78.568 1.00126.89 1SG 222 ATOM 222 NH2 ARG 35 17.086 -14.671 -78.658 1.00126.89 1SG 223 ATOM 223 C ARG 35 22.058 -12.026 -74.225 1.00126.89 1SG 224 ATOM 224 O ARG 35 22.250 -12.289 -73.039 1.00126.89 1SG 225 ATOM 225 N GLY 36 20.949 -11.399 -74.666 1.00 20.72 1SG 226 ATOM 226 CA GLY 36 19.891 -11.027 -73.781 1.00 20.72 1SG 227 ATOM 227 C GLY 36 20.214 -9.662 -73.292 1.00 20.72 1SG 228 ATOM 228 O GLY 36 21.235 -9.084 -73.660 1.00 20.72 1SG 229 ATOM 229 N PRO 37 19.363 -9.114 -72.479 1.00 85.01 1SG 230 ATOM 230 CA PRO 37 19.667 -7.822 -71.954 1.00 85.01 1SG 231 ATOM 231 CD PRO 37 17.932 -9.341 -72.570 1.00 85.01 1SG 232 ATOM 232 CB PRO 37 18.352 -7.259 -71.403 1.00 85.01 1SG 233 ATOM 233 CG PRO 37 17.363 -8.442 -71.461 1.00 85.01 1SG 234 ATOM 234 C PRO 37 20.764 -7.977 -70.959 1.00 85.01 1SG 235 ATOM 235 O PRO 37 20.767 -8.964 -70.225 1.00 85.01 1SG 236 ATOM 236 N LEU 38 21.711 -7.024 -70.920 1.00283.41 1SG 237 ATOM 237 CA LEU 38 22.774 -7.123 -69.968 1.00283.41 1SG 238 ATOM 238 CB LEU 38 24.173 -6.927 -70.576 1.00283.41 1SG 239 ATOM 239 CG LEU 38 25.313 -7.171 -69.573 1.00283.41 1SG 240 ATOM 240 CD2 LEU 38 26.682 -6.886 -70.212 1.00283.41 1SG 241 ATOM 241 CD1 LEU 38 25.234 -8.590 -68.985 1.00283.41 1SG 242 ATOM 242 C LEU 38 22.503 -6.043 -68.981 1.00283.41 1SG 243 ATOM 243 O LEU 38 21.798 -5.085 -69.295 1.00283.41 1SG 244 ATOM 244 N GLY 39 23.031 -6.156 -67.749 1.00144.77 1SG 245 ATOM 245 CA GLY 39 22.609 -5.152 -66.825 1.00144.77 1SG 246 ATOM 246 C GLY 39 23.750 -4.360 -66.278 1.00144.77 1SG 247 ATOM 247 O GLY 39 24.719 -4.887 -65.736 1.00144.77 1SG 248 ATOM 248 N ILE 40 23.616 -3.035 -66.456 1.00132.06 1SG 249 ATOM 249 CA ILE 40 24.391 -1.957 -65.922 1.00132.06 1SG 250 ATOM 250 CB ILE 40 25.712 -1.676 -66.586 1.00132.06 1SG 251 ATOM 251 CG2 ILE 40 25.472 -1.143 -68.009 1.00132.06 1SG 252 ATOM 252 CG1 ILE 40 26.536 -0.738 -65.681 1.00132.06 1SG 253 ATOM 253 CD1 ILE 40 27.997 -0.597 -66.102 1.00132.06 1SG 254 ATOM 254 C ILE 40 23.464 -0.828 -66.188 1.00132.06 1SG 255 ATOM 255 O ILE 40 22.262 -1.065 -66.294 1.00132.06 1SG 256 ATOM 256 N VAL 41 23.925 0.432 -66.250 1.00117.52 1SG 257 ATOM 257 CA VAL 41 22.901 1.319 -66.701 1.00117.52 1SG 258 ATOM 258 CB VAL 41 23.091 2.759 -66.295 1.00117.52 1SG 259 ATOM 259 CG1 VAL 41 24.455 3.283 -66.779 1.00117.52 1SG 260 ATOM 260 CG2 VAL 41 21.882 3.554 -66.818 1.00117.52 1SG 261 ATOM 261 C VAL 41 22.879 1.171 -68.194 1.00117.52 1SG 262 ATOM 262 O VAL 41 23.385 2.004 -68.945 1.00117.52 1SG 263 ATOM 263 N SER 42 22.277 0.055 -68.652 1.00 96.08 1SG 264 ATOM 264 CA SER 42 22.155 -0.262 -70.042 1.00 96.08 1SG 265 ATOM 265 CB SER 42 23.441 -0.839 -70.657 1.00 96.08 1SG 266 ATOM 266 OG SER 42 23.721 -2.113 -70.093 1.00 96.08 1SG 267 ATOM 267 C SER 42 21.143 -1.350 -70.114 1.00 96.08 1SG 268 ATOM 268 O SER 42 21.059 -2.174 -69.204 1.00 96.08 1SG 269 ATOM 269 N GLY 43 20.359 -1.387 -71.209 1.00 55.95 1SG 270 ATOM 270 CA GLY 43 19.367 -2.411 -71.340 1.00 55.95 1SG 271 ATOM 271 C GLY 43 18.495 -2.319 -70.135 1.00 55.95 1SG 272 ATOM 272 O GLY 43 17.689 -1.401 -69.996 1.00 55.95 1SG 273 ATOM 273 N GLY 44 18.651 -3.296 -69.225 1.00 79.55 1SG 274 ATOM 274 CA GLY 44 17.896 -3.312 -68.011 1.00 79.55 1SG 275 ATOM 275 C GLY 44 18.774 -3.958 -66.995 1.00 79.55 1SG 276 ATOM 276 O GLY 44 19.969 -4.141 -67.224 1.00 79.55 1SG 277 ATOM 277 N ARG 45 18.197 -4.327 -65.837 1.00323.51 1SG 278 ATOM 278 CA ARG 45 18.980 -4.976 -64.829 1.00323.51 1SG 279 ATOM 279 CB ARG 45 19.536 -6.330 -65.302 1.00323.51 1SG 280 ATOM 280 CG ARG 45 18.445 -7.325 -65.702 1.00323.51 1SG 281 ATOM 281 CD ARG 45 18.980 -8.599 -66.359 1.00323.51 1SG 282 ATOM 282 NE ARG 45 17.801 -9.414 -66.766 1.00323.51 1SG 283 ATOM 283 CZ ARG 45 17.855 -10.179 -67.895 1.00323.51 1SG 284 ATOM 284 NH1 ARG 45 18.999 -10.220 -68.639 1.00323.51 1SG 285 ATOM 285 NH2 ARG 45 16.763 -10.899 -68.283 1.00323.51 1SG 286 ATOM 286 C ARG 45 20.139 -4.097 -64.485 1.00323.51 1SG 287 ATOM 287 O ARG 45 21.285 -4.542 -64.504 1.00323.51 1SG 288 ATOM 288 N LEU 46 19.863 -2.818 -64.152 1.00192.92 1SG 289 ATOM 289 CA LEU 46 20.912 -1.904 -63.796 1.00192.92 1SG 290 ATOM 290 CB LEU 46 20.362 -0.561 -63.281 1.00192.92 1SG 291 ATOM 291 CG LEU 46 21.427 0.408 -62.736 1.00192.92 1SG 292 ATOM 292 CD2 LEU 46 20.773 1.575 -61.978 1.00192.92 1SG 293 ATOM 293 CD1 LEU 46 22.389 0.878 -63.834 1.00192.92 1SG 294 ATOM 294 C LEU 46 21.674 -2.534 -62.682 1.00192.92 1SG 295 ATOM 295 O LEU 46 21.146 -2.747 -61.592 1.00192.92 1SG 296 ATOM 296 N ILE 47 22.952 -2.865 -62.945 1.00151.81 1SG 297 ATOM 297 CA ILE 47 23.729 -3.531 -61.947 1.00151.81 1SG 298 ATOM 298 CB ILE 47 25.021 -4.097 -62.487 1.00151.81 1SG 299 ATOM 299 CG2 ILE 47 26.010 -2.953 -62.766 1.00151.81 1SG 300 ATOM 300 CG1 ILE 47 25.564 -5.205 -61.563 1.00151.81 1SG 301 ATOM 301 CD1 ILE 47 25.853 -4.772 -60.128 1.00151.81 1SG 302 ATOM 302 C ILE 47 23.997 -2.591 -60.810 1.00151.81 1SG 303 ATOM 303 O ILE 47 23.818 -2.958 -59.649 1.00151.81 1SG 304 ATOM 304 N GLY 48 24.409 -1.341 -61.101 1.00 23.03 1SG 305 ATOM 305 CA GLY 48 24.732 -0.454 -60.022 1.00 23.03 1SG 306 ATOM 306 C GLY 48 25.908 -1.079 -59.355 1.00 23.03 1SG 307 ATOM 307 O GLY 48 26.147 -0.895 -58.162 1.00 23.03 1SG 308 ATOM 308 N GLN 49 26.678 -1.842 -60.149 1.00 50.42 1SG 309 ATOM 309 CA GLN 49 27.784 -2.598 -59.652 1.00 50.42 1SG 310 ATOM 310 CB GLN 49 28.424 -3.456 -60.756 1.00 50.42 1SG 311 ATOM 311 CG GLN 49 29.374 -4.536 -60.243 1.00 50.42 1SG 312 ATOM 312 CD GLN 49 29.655 -5.469 -61.411 1.00 50.42 1SG 313 ATOM 313 OE1 GLN 49 30.242 -6.538 -61.247 1.00 50.42 1SG 314 ATOM 314 NE2 GLN 49 29.217 -5.058 -62.631 1.00 50.42 1SG 315 ATOM 315 C GLN 49 28.799 -1.661 -59.096 1.00 50.42 1SG 316 ATOM 316 O GLN 49 29.364 -1.912 -58.032 1.00 50.42 1SG 317 ATOM 317 N ALA 50 29.045 -0.536 -59.789 1.00 62.58 1SG 318 ATOM 318 CA ALA 50 30.011 0.393 -59.288 1.00 62.58 1SG 319 ATOM 319 CB ALA 50 30.360 1.523 -60.271 1.00 62.58 1SG 320 ATOM 320 C ALA 50 29.432 1.014 -58.059 1.00 62.58 1SG 321 ATOM 321 O ALA 50 28.214 1.068 -57.892 1.00 62.58 1SG 322 ATOM 322 N ASP 51 30.310 1.479 -57.149 1.00220.23 1SG 323 ATOM 323 CA ASP 51 29.874 2.104 -55.935 1.00220.23 1SG 324 ATOM 324 CB ASP 51 28.994 3.341 -56.200 1.00220.23 1SG 325 ATOM 325 CG ASP 51 28.772 4.090 -54.893 1.00220.23 1SG 326 ATOM 326 OD1 ASP 51 29.361 3.673 -53.860 1.00220.23 1SG 327 ATOM 327 OD2 ASP 51 28.012 5.095 -54.914 1.00220.23 1SG 328 ATOM 328 C ASP 51 29.067 1.103 -55.173 1.00220.23 1SG 329 ATOM 329 O ASP 51 28.220 1.457 -54.355 1.00220.23 1SG 330 ATOM 330 N LEU 52 29.334 -0.192 -55.419 1.00124.55 1SG 331 ATOM 331 CA LEU 52 28.591 -1.237 -54.782 1.00124.55 1SG 332 ATOM 332 CB LEU 52 28.948 -2.611 -55.387 1.00124.55 1SG 333 ATOM 333 CG LEU 52 28.098 -3.803 -54.909 1.00124.55 1SG 334 ATOM 334 CD2 LEU 52 26.598 -3.508 -55.063 1.00124.55 1SG 335 ATOM 335 CD1 LEU 52 28.466 -4.245 -53.490 1.00124.55 1SG 336 ATOM 336 C LEU 52 28.872 -1.225 -53.304 1.00124.55 1SG 337 ATOM 337 O LEU 52 27.944 -1.209 -52.498 1.00124.55 1SG 338 ATOM 338 N VAL 53 30.165 -1.189 -52.911 1.00 51.93 1SG 339 ATOM 339 CA VAL 53 30.546 -1.187 -51.520 1.00 51.93 1SG 340 ATOM 340 CB VAL 53 30.569 -2.584 -50.915 1.00 51.93 1SG 341 ATOM 341 CG1 VAL 53 31.164 -2.611 -49.495 1.00 51.93 1SG 342 ATOM 342 CG2 VAL 53 29.118 -3.081 -50.877 1.00 51.93 1SG 343 ATOM 343 C VAL 53 31.906 -0.545 -51.455 1.00 51.93 1SG 344 ATOM 344 O VAL 53 32.545 -0.326 -52.483 1.00 51.93 1SG 345 ATOM 345 N GLY 54 32.376 -0.210 -50.236 1.00 30.67 1SG 346 ATOM 346 CA GLY 54 33.621 0.466 -50.023 1.00 30.67 1SG 347 ATOM 347 C GLY 54 34.698 -0.533 -49.735 1.00 30.67 1SG 348 ATOM 348 O GLY 54 35.054 -1.352 -50.582 1.00 30.67 1SG 349 ATOM 349 N VAL 55 35.237 -0.484 -48.503 1.00 33.14 1SG 350 ATOM 350 CA VAL 55 36.381 -1.258 -48.117 1.00 33.14 1SG 351 ATOM 351 CB VAL 55 36.696 -1.123 -46.654 1.00 33.14 1SG 352 ATOM 352 CG1 VAL 55 37.853 -2.077 -46.309 1.00 33.14 1SG 353 ATOM 353 CG2 VAL 55 36.989 0.355 -46.345 1.00 33.14 1SG 354 ATOM 354 C VAL 55 36.138 -2.710 -48.371 1.00 33.14 1SG 355 ATOM 355 O VAL 55 37.019 -3.402 -48.880 1.00 33.14 1SG 356 ATOM 356 N GLU 56 34.942 -3.222 -48.037 1.00 29.73 1SG 357 ATOM 357 CA GLU 56 34.740 -4.632 -48.197 1.00 29.73 1SG 358 ATOM 358 CB GLU 56 33.369 -5.113 -47.692 1.00 29.73 1SG 359 ATOM 359 CG GLU 56 33.269 -6.638 -47.603 1.00 29.73 1SG 360 ATOM 360 CD GLU 56 31.938 -6.996 -46.957 1.00 29.73 1SG 361 ATOM 361 OE1 GLU 56 31.107 -6.070 -46.760 1.00 29.73 1SG 362 ATOM 362 OE2 GLU 56 31.736 -8.201 -46.648 1.00 29.73 1SG 363 ATOM 363 C GLU 56 34.867 -5.001 -49.644 1.00 29.73 1SG 364 ATOM 364 O GLU 56 35.519 -5.990 -49.974 1.00 29.73 1SG 365 ATOM 365 N GLY 57 34.270 -4.209 -50.557 1.00 18.13 1SG 366 ATOM 366 CA GLY 57 34.354 -4.555 -51.949 1.00 18.13 1SG 367 ATOM 367 C GLY 57 33.432 -5.711 -52.138 1.00 18.13 1SG 368 ATOM 368 O GLY 57 32.510 -5.892 -51.345 1.00 18.13 1SG 369 ATOM 369 N PRO 58 33.622 -6.512 -53.154 1.00 55.02 1SG 370 ATOM 370 CA PRO 58 34.654 -6.271 -54.132 1.00 55.02 1SG 371 ATOM 371 CD PRO 58 33.444 -7.937 -52.912 1.00 55.02 1SG 372 ATOM 372 CB PRO 58 34.984 -7.628 -54.749 1.00 55.02 1SG 373 ATOM 373 CG PRO 58 34.586 -8.637 -53.661 1.00 55.02 1SG 374 ATOM 374 C PRO 58 34.182 -5.278 -55.151 1.00 55.02 1SG 375 ATOM 375 O PRO 58 32.996 -4.953 -55.156 1.00 55.02 1SG 376 ATOM 376 N PHE 59 35.092 -4.789 -56.022 1.00 41.78 1SG 377 ATOM 377 CA PHE 59 34.739 -3.825 -57.029 1.00 41.78 1SG 378 ATOM 378 CB PHE 59 35.650 -2.585 -57.020 1.00 41.78 1SG 379 ATOM 379 CG PHE 59 37.053 -3.057 -57.193 1.00 41.78 1SG 380 ATOM 380 CD1 PHE 59 37.560 -3.332 -58.442 1.00 41.78 1SG 381 ATOM 381 CD2 PHE 59 37.866 -3.225 -56.094 1.00 41.78 1SG 382 ATOM 382 CE1 PHE 59 38.856 -3.766 -58.591 1.00 41.78 1SG 383 ATOM 383 CE2 PHE 59 39.162 -3.659 -56.237 1.00 41.78 1SG 384 ATOM 384 CZ PHE 59 39.660 -3.931 -57.488 1.00 41.78 1SG 385 ATOM 385 C PHE 59 34.832 -4.460 -58.385 1.00 41.78 1SG 386 ATOM 386 O PHE 59 35.635 -5.364 -58.611 1.00 41.78 1SG 387 ATOM 387 N SER 60 33.965 -4.001 -59.318 1.00 78.68 1SG 388 ATOM 388 CA SER 60 33.893 -4.506 -60.664 1.00 78.68 1SG 389 ATOM 389 CB SER 60 32.449 -4.555 -61.199 1.00 78.68 1SG 390 ATOM 390 OG SER 60 32.402 -5.165 -62.480 1.00 78.68 1SG 391 ATOM 391 C SER 60 34.705 -3.622 -61.566 1.00 78.68 1SG 392 ATOM 392 O SER 60 35.320 -2.655 -61.119 1.00 78.68 1SG 393 ATOM 393 N VAL 61 34.730 -3.949 -62.878 1.00 76.73 1SG 394 ATOM 394 CA VAL 61 35.496 -3.204 -63.840 1.00 76.73 1SG 395 ATOM 395 CB VAL 61 36.343 -4.083 -64.713 1.00 76.73 1SG 396 ATOM 396 CG1 VAL 61 37.055 -3.207 -65.756 1.00 76.73 1SG 397 ATOM 397 CG2 VAL 61 37.290 -4.900 -63.818 1.00 76.73 1SG 398 ATOM 398 C VAL 61 34.554 -2.486 -64.754 1.00 76.73 1SG 399 ATOM 399 O VAL 61 33.484 -2.990 -65.091 1.00 76.73 1SG 400 ATOM 400 N GLU 62 34.929 -1.257 -65.163 1.00304.51 1SG 401 ATOM 401 CA GLU 62 34.102 -0.502 -66.058 1.00304.51 1SG 402 ATOM 402 CB GLU 62 33.070 0.376 -65.331 1.00304.51 1SG 403 ATOM 403 CG GLU 62 32.182 1.189 -66.273 1.00304.51 1SG 404 ATOM 404 CD GLU 62 31.356 2.147 -65.425 1.00304.51 1SG 405 ATOM 405 OE1 GLU 62 31.515 2.118 -64.175 1.00304.51 1SG 406 ATOM 406 OE2 GLU 62 30.560 2.924 -66.016 1.00304.51 1SG 407 ATOM 407 C GLU 62 34.982 0.437 -66.817 1.00304.51 1SG 408 ATOM 408 O GLU 62 35.990 0.910 -66.295 1.00304.51 1SG 409 ATOM 409 N GLU 63 34.635 0.720 -68.089 1.00333.58 1SG 410 ATOM 410 CA GLU 63 35.401 1.687 -68.821 1.00333.58 1SG 411 ATOM 411 CB GLU 63 36.428 1.099 -69.804 1.00333.58 1SG 412 ATOM 412 CG GLU 63 37.254 2.143 -70.556 1.00333.58 1SG 413 ATOM 413 CD GLU 63 38.361 1.408 -71.301 1.00333.58 1SG 414 ATOM 414 OE1 GLU 63 38.789 0.328 -70.813 1.00333.58 1SG 415 ATOM 415 OE2 GLU 63 38.802 1.924 -72.363 1.00333.58 1SG 416 ATOM 416 C GLU 63 34.458 2.466 -69.664 1.00333.58 1SG 417 ATOM 417 O GLU 63 33.498 1.925 -70.209 1.00333.58 1SG 418 ATOM 418 N LEU 64 34.702 3.783 -69.756 1.00362.35 1SG 419 ATOM 419 CA LEU 64 33.948 4.624 -70.631 1.00362.35 1SG 420 ATOM 420 CB LEU 64 32.963 5.567 -69.923 1.00362.35 1SG 421 ATOM 421 CG LEU 64 32.169 6.449 -70.906 1.00362.35 1SG 422 ATOM 422 CD2 LEU 64 31.378 7.539 -70.167 1.00362.35 1SG 423 ATOM 423 CD1 LEU 64 31.288 5.599 -71.835 1.00362.35 1SG 424 ATOM 424 C LEU 64 34.964 5.475 -71.303 1.00362.35 1SG 425 ATOM 425 O LEU 64 35.960 5.855 -70.689 1.00362.35 1SG 426 ATOM 426 N LEU 65 34.779 5.778 -72.595 1.00363.93 1SG 427 ATOM 427 CA LEU 65 35.794 6.593 -73.182 1.00363.93 1SG 428 ATOM 428 CB LEU 65 36.744 5.818 -74.102 1.00363.93 1SG 429 ATOM 429 CG LEU 65 37.830 6.700 -74.732 1.00363.93 1SG 430 ATOM 430 CD2 LEU 65 38.847 5.827 -75.481 1.00363.93 1SG 431 ATOM 431 CD1 LEU 65 38.520 7.581 -73.679 1.00363.93 1SG 432 ATOM 432 C LEU 65 35.159 7.705 -73.935 1.00363.93 1SG 433 ATOM 433 O LEU 65 34.125 7.530 -74.579 1.00363.93 1SG 434 ATOM 434 N ALA 66 35.766 8.903 -73.850 1.00244.20 1SG 435 ATOM 435 CA ALA 66 35.201 10.011 -74.549 1.00244.20 1SG 436 ATOM 436 CB ALA 66 34.734 11.152 -73.628 1.00244.20 1SG 437 ATOM 437 C ALA 66 36.233 10.578 -75.466 1.00244.20 1SG 438 ATOM 438 O ALA 66 37.410 10.696 -75.126 1.00244.20 1SG 439 ATOM 439 N HIS 67 35.783 10.897 -76.690 1.00266.78 1SG 440 ATOM 440 CA HIS 67 36.532 11.557 -77.717 1.00266.78 1SG 441 ATOM 441 ND1 HIS 67 38.267 12.570 -79.903 1.00266.78 1SG 442 ATOM 442 CG HIS 67 37.795 11.277 -79.891 1.00266.78 1SG 443 ATOM 443 CB HIS 67 37.243 10.590 -78.679 1.00266.78 1SG 444 ATOM 444 NE2 HIS 67 38.469 11.802 -81.980 1.00266.78 1SG 445 ATOM 445 CD2 HIS 67 37.930 10.821 -81.167 1.00266.78 1SG 446 ATOM 446 CE1 HIS 67 38.655 12.834 -81.176 1.00266.78 1SG 447 ATOM 447 C HIS 67 35.479 12.281 -78.471 1.00266.78 1SG 448 ATOM 448 O HIS 67 34.546 11.654 -78.968 1.00266.78 1SG 449 ATOM 449 N GLN 68 35.561 13.620 -78.593 1.00227.75 1SG 450 ATOM 450 CA GLN 68 34.367 14.103 -79.198 1.00227.75 1SG 451 ATOM 451 CB GLN 68 33.571 15.164 -78.418 1.00227.75 1SG 452 ATOM 452 CG GLN 68 32.234 15.450 -79.123 1.00227.75 1SG 453 ATOM 453 CD GLN 68 31.531 16.630 -78.473 1.00227.75 1SG 454 ATOM 454 OE1 GLN 68 30.892 17.432 -79.152 1.00227.75 1SG 455 ATOM 455 NE2 GLN 68 31.638 16.733 -77.122 1.00227.75 1SG 456 ATOM 456 C GLN 68 34.539 14.689 -80.547 1.00227.75 1SG 457 ATOM 457 O GLN 68 34.403 15.900 -80.720 1.00227.75 1SG 458 ATOM 458 N GLU 69 34.911 13.897 -81.562 1.00192.34 1SG 459 ATOM 459 CA GLU 69 34.370 14.490 -82.731 1.00192.34 1SG 460 ATOM 460 CB GLU 69 34.931 14.126 -84.118 1.00192.34 1SG 461 ATOM 461 CG GLU 69 34.415 15.174 -85.124 1.00192.34 1SG 462 ATOM 462 CD GLU 69 35.261 15.228 -86.389 1.00192.34 1SG 463 ATOM 463 OE1 GLU 69 35.804 14.167 -86.794 1.00192.34 1SG 464 ATOM 464 OE2 GLU 69 35.361 16.339 -86.977 1.00192.34 1SG 465 ATOM 465 C GLU 69 32.964 13.999 -82.552 1.00192.34 1SG 466 ATOM 466 O GLU 69 32.010 14.609 -83.027 1.00192.34 1SG 467 ATOM 467 N LYS 70 32.893 12.825 -81.852 1.00314.89 1SG 468 ATOM 468 CA LYS 70 31.824 12.007 -81.298 1.00314.89 1SG 469 ATOM 469 CB LYS 70 30.486 12.043 -82.076 1.00314.89 1SG 470 ATOM 470 CG LYS 70 29.408 13.010 -81.541 1.00314.89 1SG 471 ATOM 471 CD LYS 70 29.624 14.516 -81.729 1.00314.89 1SG 472 ATOM 472 CE LYS 70 29.278 15.027 -83.133 1.00314.89 1SG 473 ATOM 473 NZ LYS 70 29.537 16.484 -83.234 1.00314.89 1SG 474 ATOM 474 C LYS 70 32.358 10.587 -81.291 1.00314.89 1SG 475 ATOM 475 O LYS 70 32.529 10.035 -82.378 1.00314.89 1SG 476 ATOM 476 N HIS 71 32.580 9.910 -80.112 1.00268.29 1SG 477 ATOM 477 CA HIS 71 33.347 8.685 -80.278 1.00268.29 1SG 478 ATOM 478 ND1 HIS 71 35.133 11.001 -81.920 1.00268.29 1SG 479 ATOM 479 CG HIS 71 35.184 9.638 -81.719 1.00268.29 1SG 480 ATOM 480 CB HIS 71 34.859 8.960 -80.415 1.00268.29 1SG 481 ATOM 481 NE2 HIS 71 35.677 10.093 -83.877 1.00268.29 1SG 482 ATOM 482 CD2 HIS 71 35.517 9.100 -82.926 1.00268.29 1SG 483 ATOM 483 CE1 HIS 71 35.437 11.217 -83.226 1.00268.29 1SG 484 ATOM 484 C HIS 71 33.165 7.442 -79.378 1.00268.29 1SG 485 ATOM 485 O HIS 71 32.071 7.049 -78.982 1.00268.29 1SG 486 ATOM 486 N LEU 72 34.368 6.858 -79.081 1.00283.84 1SG 487 ATOM 487 CA LEU 72 34.961 5.548 -78.787 1.00283.84 1SG 488 ATOM 488 CB LEU 72 36.497 5.763 -78.735 1.00283.84 1SG 489 ATOM 489 CG LEU 72 37.100 6.742 -77.680 1.00283.84 1SG 490 ATOM 490 CD2 LEU 72 36.260 7.994 -77.363 1.00283.84 1SG 491 ATOM 491 CD1 LEU 72 38.531 7.121 -78.099 1.00283.84 1SG 492 ATOM 492 C LEU 72 34.625 4.399 -77.819 1.00283.84 1SG 493 ATOM 493 O LEU 72 34.029 3.460 -78.345 1.00283.84 1SG 494 ATOM 494 N ALA 73 34.850 4.307 -76.468 1.00175.59 1SG 495 ATOM 495 CA ALA 73 34.778 2.857 -76.207 1.00175.59 1SG 496 ATOM 496 CB ALA 73 35.914 2.089 -76.912 1.00175.59 1SG 497 ATOM 497 C ALA 73 34.689 2.232 -74.815 1.00175.59 1SG 498 ATOM 498 O ALA 73 34.978 2.782 -73.753 1.00175.59 1SG 499 ATOM 499 N GLU 74 34.280 0.941 -74.908 1.00199.42 1SG 500 ATOM 500 CA GLU 74 33.895 -0.154 -74.038 1.00199.42 1SG 501 ATOM 501 CB GLU 74 32.971 -1.128 -74.785 1.00199.42 1SG 502 ATOM 502 CG GLU 74 32.171 -2.002 -73.831 1.00199.42 1SG 503 ATOM 503 CD GLU 74 31.566 -1.046 -72.814 1.00199.42 1SG 504 ATOM 504 OE1 GLU 74 31.136 0.066 -73.223 1.00199.42 1SG 505 ATOM 505 OE2 GLU 74 31.550 -1.408 -71.608 1.00199.42 1SG 506 ATOM 506 C GLU 74 34.936 -0.985 -73.312 1.00199.42 1SG 507 ATOM 507 O GLU 74 34.539 -1.790 -72.471 1.00199.42 1SG 508 ATOM 508 N GLU 75 36.253 -0.872 -73.576 1.00162.15 1SG 509 ATOM 509 CA GLU 75 37.167 -1.931 -73.181 1.00162.15 1SG 510 ATOM 510 CB GLU 75 38.654 -1.621 -73.271 1.00162.15 1SG 511 ATOM 511 CG GLU 75 39.435 -2.902 -72.953 1.00162.15 1SG 512 ATOM 512 CD GLU 75 40.681 -2.599 -72.132 1.00162.15 1SG 513 ATOM 513 OE1 GLU 75 40.886 -1.420 -71.743 1.00162.15 1SG 514 ATOM 514 OE2 GLU 75 41.436 -3.569 -71.857 1.00162.15 1SG 515 ATOM 515 C GLU 75 37.091 -2.448 -71.779 1.00162.15 1SG 516 ATOM 516 O GLU 75 37.078 -3.664 -71.643 1.00162.15 1SG 517 ATOM 517 N ALA 76 36.999 -1.633 -70.709 1.00 76.30 1SG 518 ATOM 518 CA ALA 76 37.162 -2.225 -69.394 1.00 76.30 1SG 519 ATOM 519 CB ALA 76 37.085 -1.254 -68.202 1.00 76.30 1SG 520 ATOM 520 C ALA 76 36.169 -3.307 -69.120 1.00 76.30 1SG 521 ATOM 521 O ALA 76 36.485 -4.258 -68.403 1.00 76.30 1SG 522 ATOM 522 N PHE 77 34.955 -3.220 -69.686 1.00130.20 1SG 523 ATOM 523 CA PHE 77 34.006 -4.230 -69.313 1.00130.20 1SG 524 ATOM 524 CB PHE 77 32.600 -4.086 -69.916 1.00130.20 1SG 525 ATOM 525 CG PHE 77 31.895 -5.282 -69.372 1.00130.20 1SG 526 ATOM 526 CD1 PHE 77 31.495 -5.309 -68.056 1.00130.20 1SG 527 ATOM 527 CD2 PHE 77 31.650 -6.381 -70.163 1.00130.20 1SG 528 ATOM 528 CE1 PHE 77 30.854 -6.408 -67.535 1.00130.20 1SG 529 ATOM 529 CE2 PHE 77 31.008 -7.484 -69.647 1.00130.20 1SG 530 ATOM 530 CZ PHE 77 30.612 -7.501 -68.332 1.00130.20 1SG 531 ATOM 531 C PHE 77 34.467 -5.626 -69.636 1.00130.20 1SG 532 ATOM 532 O PHE 77 34.298 -6.530 -68.817 1.00130.20 1SG 533 ATOM 533 N LEU 78 35.076 -5.864 -70.808 1.00138.06 1SG 534 ATOM 534 CA LEU 78 35.375 -7.228 -71.179 1.00138.06 1SG 535 ATOM 535 CB LEU 78 35.839 -7.352 -72.656 1.00138.06 1SG 536 ATOM 536 CG LEU 78 36.060 -8.777 -73.243 1.00138.06 1SG 537 ATOM 537 CD2 LEU 78 37.174 -9.566 -72.538 1.00138.06 1SG 538 ATOM 538 CD1 LEU 78 36.362 -8.710 -74.750 1.00138.06 1SG 539 ATOM 539 C LEU 78 36.366 -7.908 -70.266 1.00138.06 1SG 540 ATOM 540 O LEU 78 36.213 -9.103 -70.015 1.00138.06 1SG 541 ATOM 541 N ARG 79 37.384 -7.207 -69.715 1.00124.74 1SG 542 ATOM 542 CA ARG 79 38.431 -7.933 -69.024 1.00124.74 1SG 543 ATOM 543 CB ARG 79 39.601 -7.119 -68.421 1.00124.74 1SG 544 ATOM 544 CG ARG 79 40.591 -8.031 -67.667 1.00124.74 1SG 545 ATOM 545 CD ARG 79 41.949 -7.409 -67.308 1.00124.74 1SG 546 ATOM 546 NE ARG 79 42.727 -8.414 -66.518 1.00124.74 1SG 547 ATOM 547 CZ ARG 79 43.463 -9.397 -67.123 1.00124.74 1SG 548 ATOM 548 NH1 ARG 79 43.458 -9.546 -68.481 1.00124.74 1SG 549 ATOM 549 NH2 ARG 79 44.217 -10.243 -66.361 1.00124.74 1SG 550 ATOM 550 C ARG 79 37.901 -8.730 -67.884 1.00124.74 1SG 551 ATOM 551 O ARG 79 38.424 -9.802 -67.583 1.00124.74 1SG 552 ATOM 552 N ALA 80 36.844 -8.241 -67.225 1.00 49.07 1SG 553 ATOM 553 CA ALA 80 36.388 -8.909 -66.045 1.00 49.07 1SG 554 ATOM 554 CB ALA 80 35.134 -8.248 -65.456 1.00 49.07 1SG 555 ATOM 555 C ALA 80 36.057 -10.358 -66.318 1.00 49.07 1SG 556 ATOM 556 O ALA 80 36.416 -11.221 -65.519 1.00 49.07 1SG 557 ATOM 557 N TYR 81 35.384 -10.676 -67.445 1.00117.96 1SG 558 ATOM 558 CA TYR 81 34.969 -12.034 -67.744 1.00117.96 1SG 559 ATOM 559 CB TYR 81 34.016 -12.115 -68.963 1.00117.96 1SG 560 ATOM 560 CG TYR 81 33.400 -13.481 -69.123 1.00117.96 1SG 561 ATOM 561 CD1 TYR 81 32.452 -13.946 -68.235 1.00117.96 1SG 562 ATOM 562 CD2 TYR 81 33.728 -14.289 -70.192 1.00117.96 1SG 563 ATOM 563 CE1 TYR 81 31.872 -15.187 -68.389 1.00117.96 1SG 564 ATOM 564 CE2 TYR 81 33.150 -15.530 -70.355 1.00117.96 1SG 565 ATOM 565 CZ TYR 81 32.221 -15.986 -69.450 1.00117.96 1SG 566 ATOM 566 OH TYR 81 31.626 -17.257 -69.613 1.00117.96 1SG 567 ATOM 567 C TYR 81 36.170 -12.910 -67.999 1.00117.96 1SG 568 ATOM 568 O TYR 81 36.217 -14.068 -67.581 1.00117.96 1SG 569 ATOM 569 N ALA 82 37.180 -12.339 -68.672 1.00 92.02 1SG 570 ATOM 570 CA ALA 82 38.409 -12.906 -69.169 1.00 92.02 1SG 571 ATOM 571 CB ALA 82 39.234 -11.930 -70.020 1.00 92.02 1SG 572 ATOM 572 C ALA 82 39.309 -13.415 -68.083 1.00 92.02 1SG 573 ATOM 573 O ALA 82 40.301 -14.075 -68.389 1.00 92.02 1SG 574 ATOM 574 N LYS 83 39.004 -13.115 -66.806 1.00228.51 1SG 575 ATOM 575 CA LYS 83 39.870 -13.216 -65.657 1.00228.51 1SG 576 ATOM 576 CB LYS 83 39.195 -12.927 -64.308 1.00228.51 1SG 577 ATOM 577 CG LYS 83 40.028 -12.008 -63.393 1.00228.51 1SG 578 ATOM 578 CD LYS 83 41.514 -12.338 -63.203 1.00228.51 1SG 579 ATOM 579 CE LYS 83 42.447 -11.610 -64.184 1.00228.51 1SG 580 ATOM 580 NZ LYS 83 42.636 -12.386 -65.432 1.00228.51 1SG 581 ATOM 581 C LYS 83 40.611 -14.529 -65.530 1.00228.51 1SG 582 ATOM 582 O LYS 83 41.427 -14.651 -64.616 1.00228.51 1SG 583 ATOM 583 N ASP 84 40.286 -15.605 -66.281 1.00 86.99 1SG 584 ATOM 584 CA ASP 84 41.299 -16.635 -66.231 1.00 86.99 1SG 585 ATOM 585 CB ASP 84 41.041 -17.873 -67.115 1.00 86.99 1SG 586 ATOM 586 CG ASP 84 40.124 -18.851 -66.379 1.00 86.99 1SG 587 ATOM 587 OD1 ASP 84 39.838 -18.634 -65.171 1.00 86.99 1SG 588 ATOM 588 OD2 ASP 84 39.708 -19.848 -67.029 1.00 86.99 1SG 589 ATOM 589 C ASP 84 42.558 -15.931 -66.685 1.00 86.99 1SG 590 ATOM 590 O ASP 84 42.530 -15.180 -67.657 1.00 86.99 1SG 591 ATOM 591 N GLU 85 43.664 -16.149 -65.934 1.00174.99 1SG 592 ATOM 592 CA GLU 85 44.890 -15.384 -65.917 1.00174.99 1SG 593 ATOM 593 CB GLU 85 45.877 -15.865 -64.826 1.00174.99 1SG 594 ATOM 594 CG GLU 85 47.141 -15.017 -64.679 1.00174.99 1SG 595 ATOM 595 CD GLU 85 47.959 -15.644 -63.558 1.00174.99 1SG 596 ATOM 596 OE1 GLU 85 47.372 -16.450 -62.788 1.00174.99 1SG 597 ATOM 597 OE2 GLU 85 49.175 -15.329 -63.456 1.00174.99 1SG 598 ATOM 598 C GLU 85 45.534 -15.117 -67.259 1.00174.99 1SG 599 ATOM 599 O GLU 85 44.905 -14.389 -68.023 1.00174.99 1SG 600 ATOM 600 N PRO 86 46.731 -15.601 -67.602 1.00198.19 1SG 601 ATOM 601 CA PRO 86 47.439 -15.119 -68.771 1.00198.19 1SG 602 ATOM 602 CD PRO 86 47.134 -16.971 -67.299 1.00198.19 1SG 603 ATOM 603 CB PRO 86 48.578 -16.106 -69.023 1.00198.19 1SG 604 ATOM 604 CG PRO 86 48.025 -17.425 -68.464 1.00198.19 1SG 605 ATOM 605 C PRO 86 46.656 -14.894 -70.026 1.00198.19 1SG 606 ATOM 606 O PRO 86 46.326 -15.839 -70.741 1.00198.19 1SG 607 ATOM 607 N LEU 87 46.371 -13.606 -70.284 1.00193.12 1SG 608 ATOM 608 CA LEU 87 45.767 -13.094 -71.472 1.00193.12 1SG 609 ATOM 609 CB LEU 87 44.417 -13.674 -71.933 1.00193.12 1SG 610 ATOM 610 CG LEU 87 43.313 -13.945 -70.900 1.00193.12 1SG 611 ATOM 611 CD2 LEU 87 43.162 -12.779 -69.915 1.00193.12 1SG 612 ATOM 612 CD1 LEU 87 43.519 -15.294 -70.207 1.00193.12 1SG 613 ATOM 613 C LEU 87 45.550 -11.641 -71.238 1.00193.12 1SG 614 ATOM 614 O LEU 87 45.489 -11.190 -70.095 1.00193.12 1SG 615 ATOM 615 N TYR 88 45.461 -10.862 -72.328 1.00104.79 1SG 616 ATOM 616 CA TYR 88 45.238 -9.455 -72.206 1.00104.79 1SG 617 ATOM 617 CB TYR 88 46.497 -8.617 -72.530 1.00104.79 1SG 618 ATOM 618 CG TYR 88 47.545 -8.892 -71.489 1.00104.79 1SG 619 ATOM 619 CD1 TYR 88 48.423 -9.946 -71.614 1.00104.79 1SG 620 ATOM 620 CD2 TYR 88 47.660 -8.093 -70.370 1.00104.79 1SG 621 ATOM 621 CE1 TYR 88 49.380 -10.191 -70.653 1.00104.79 1SG 622 ATOM 622 CE2 TYR 88 48.616 -8.332 -69.404 1.00104.79 1SG 623 ATOM 623 CZ TYR 88 49.485 -9.389 -69.543 1.00104.79 1SG 624 ATOM 624 OH TYR 88 50.473 -9.660 -68.569 1.00104.79 1SG 625 ATOM 625 C TYR 88 44.176 -9.129 -73.204 1.00104.79 1SG 626 ATOM 626 O TYR 88 43.937 -9.908 -74.125 1.00104.79 1SG 627 ATOM 627 N ALA 89 43.458 -8.000 -73.028 1.00 42.86 1SG 628 ATOM 628 CA ALA 89 42.496 -7.664 -74.035 1.00 42.86 1SG 629 ATOM 629 CB ALA 89 41.061 -8.041 -73.661 1.00 42.86 1SG 630 ATOM 630 C ALA 89 42.587 -6.194 -74.264 1.00 42.86 1SG 631 ATOM 631 O ALA 89 42.817 -5.422 -73.333 1.00 42.86 1SG 632 ATOM 632 N TRP 90 42.398 -5.762 -75.522 1.00 78.15 1SG 633 ATOM 633 CA TRP 90 42.590 -4.371 -75.793 1.00 78.15 1SG 634 ATOM 634 CB TRP 90 43.360 -4.042 -77.076 1.00 78.15 1SG 635 ATOM 635 CG TRP 90 44.847 -4.220 -77.010 1.00 78.15 1SG 636 ATOM 636 CD2 TRP 90 45.726 -3.326 -76.310 1.00 78.15 1SG 637 ATOM 637 CD1 TRP 90 45.634 -5.172 -77.586 1.00 78.15 1SG 638 ATOM 638 NE1 TRP 90 46.954 -4.914 -77.310 1.00 78.15 1SG 639 ATOM 639 CE2 TRP 90 47.027 -3.783 -76.525 1.00 78.15 1SG 640 ATOM 640 CE3 TRP 90 45.474 -2.215 -75.559 1.00 78.15 1SG 641 ATOM 641 CZ2 TRP 90 48.099 -3.132 -75.989 1.00 78.15 1SG 642 ATOM 642 CZ3 TRP 90 46.560 -1.561 -75.020 1.00 78.15 1SG 643 ATOM 643 CH2 TRP 90 47.847 -2.010 -75.233 1.00 78.15 1SG 644 ATOM 644 C TRP 90 41.298 -3.673 -75.976 1.00 78.15 1SG 645 ATOM 645 O TRP 90 40.256 -4.292 -76.181 1.00 78.15 1SG 646 ATOM 646 N VAL 91 41.374 -2.329 -75.883 1.00 91.94 1SG 647 ATOM 647 CA VAL 91 40.270 -1.441 -76.108 1.00 91.94 1SG 648 ATOM 648 CB VAL 91 40.440 -0.055 -75.538 1.00 91.94 1SG 649 ATOM 649 CG1 VAL 91 39.165 0.752 -75.833 1.00 91.94 1SG 650 ATOM 650 CG2 VAL 91 40.975 -0.048 -74.104 1.00 91.94 1SG 651 ATOM 651 C VAL 91 40.475 -1.037 -77.513 1.00 91.94 1SG 652 ATOM 652 O VAL 91 41.468 -0.363 -77.773 1.00 91.94 1SG 653 ATOM 653 N LEU 92 39.604 -1.389 -78.470 1.00165.93 1SG 654 ATOM 654 CA LEU 92 39.999 -0.808 -79.712 1.00165.93 1SG 655 ATOM 655 CB LEU 92 41.289 -1.406 -80.281 1.00165.93 1SG 656 ATOM 656 CG LEU 92 41.861 -0.711 -81.520 1.00165.93 1SG 657 ATOM 657 CD2 LEU 92 43.061 -1.512 -82.035 1.00165.93 1SG 658 ATOM 658 CD1 LEU 92 42.204 0.765 -81.244 1.00165.93 1SG 659 ATOM 659 C LEU 92 38.898 -0.861 -80.711 1.00165.93 1SG 660 ATOM 660 O LEU 92 37.875 -1.517 -80.521 1.00165.93 1SG 661 ATOM 661 N GLU 93 39.115 -0.119 -81.811 1.00102.47 1SG 662 ATOM 662 CA GLU 93 38.220 0.001 -82.919 1.00102.47 1SG 663 ATOM 663 CB GLU 93 38.537 1.237 -83.785 1.00102.47 1SG 664 ATOM 664 CG GLU 93 37.520 1.553 -84.886 1.00102.47 1SG 665 ATOM 665 CD GLU 93 38.102 2.692 -85.712 1.00102.47 1SG 666 ATOM 666 OE1 GLU 93 39.166 3.225 -85.297 1.00102.47 1SG 667 ATOM 667 OE2 GLU 93 37.505 3.041 -86.765 1.00102.47 1SG 668 ATOM 668 C GLU 93 38.460 -1.212 -83.749 1.00102.47 1SG 669 ATOM 669 O GLU 93 38.469 -2.330 -83.235 1.00102.47 1SG 670 ATOM 670 N ASN 94 38.648 -1.025 -85.069 1.00 65.16 1SG 671 ATOM 671 CA ASN 94 38.918 -2.141 -85.922 1.00 65.16 1SG 672 ATOM 672 CB ASN 94 39.240 -1.752 -87.376 1.00 65.16 1SG 673 ATOM 673 CG ASN 94 37.987 -1.175 -88.019 1.00 65.16 1SG 674 ATOM 674 OD1 ASN 94 38.037 -0.619 -89.115 1.00 65.16 1SG 675 ATOM 675 ND2 ASN 94 36.830 -1.304 -87.317 1.00 65.16 1SG 676 ATOM 676 C ASN 94 40.143 -2.770 -85.362 1.00 65.16 1SG 677 ATOM 677 O ASN 94 40.886 -2.121 -84.627 1.00 65.16 1SG 678 ATOM 678 N ALA 95 40.363 -4.065 -85.665 1.00 73.72 1SG 679 ATOM 679 CA ALA 95 41.510 -4.702 -85.099 1.00 73.72 1SG 680 ATOM 680 CB ALA 95 41.701 -6.164 -85.537 1.00 73.72 1SG 681 ATOM 681 C ALA 95 42.707 -3.926 -85.532 1.00 73.72 1SG 682 ATOM 682 O ALA 95 42.957 -3.705 -86.716 1.00 73.72 1SG 683 ATOM 683 N PHE 96 43.442 -3.467 -84.510 1.00243.61 1SG 684 ATOM 684 CA PHE 96 44.654 -2.721 -84.585 1.00243.61 1SG 685 ATOM 685 CB PHE 96 44.502 -1.184 -84.575 1.00243.61 1SG 686 ATOM 686 CG PHE 96 45.861 -0.588 -84.770 1.00243.61 1SG 687 ATOM 687 CD1 PHE 96 46.533 -0.769 -85.958 1.00243.61 1SG 688 ATOM 688 CD2 PHE 96 46.457 0.172 -83.787 1.00243.61 1SG 689 ATOM 689 CE1 PHE 96 47.779 -0.221 -86.152 1.00243.61 1SG 690 ATOM 690 CE2 PHE 96 47.702 0.724 -83.976 1.00243.61 1SG 691 ATOM 691 CZ PHE 96 48.371 0.521 -85.159 1.00243.61 1SG 692 ATOM 692 C PHE 96 45.331 -3.164 -83.345 1.00243.61 1SG 693 ATOM 693 O PHE 96 45.454 -4.374 -83.162 1.00243.61 1SG 694 ATOM 694 N ARG 97 45.764 -2.225 -82.472 1.00249.91 1SG 695 ATOM 695 CA ARG 97 46.501 -2.625 -81.311 1.00249.91 1SG 696 ATOM 696 CB ARG 97 45.852 -3.793 -80.539 1.00249.91 1SG 697 ATOM 697 CG ARG 97 44.381 -3.517 -80.209 1.00249.91 1SG 698 ATOM 698 CD ARG 97 43.556 -4.785 -79.971 1.00249.91 1SG 699 ATOM 699 NE ARG 97 42.116 -4.396 -79.921 1.00249.91 1SG 700 ATOM 700 CZ ARG 97 41.418 -4.212 -81.080 1.00249.91 1SG 701 ATOM 701 NH1 ARG 97 42.061 -4.286 -82.282 1.00249.91 1SG 702 ATOM 702 NH2 ARG 97 40.092 -3.894 -81.038 1.00249.91 1SG 703 ATOM 703 C ARG 97 47.757 -3.061 -81.965 1.00249.91 1SG 704 ATOM 704 O ARG 97 48.632 -2.249 -82.259 1.00249.91 1SG 705 ATOM 705 N TYR 98 47.879 -4.374 -82.204 1.00106.28 1SG 706 ATOM 706 CA TYR 98 48.909 -4.793 -83.092 1.00106.28 1SG 707 ATOM 707 CB TYR 98 49.929 -5.803 -82.549 1.00106.28 1SG 708 ATOM 708 CG TYR 98 51.052 -4.927 -82.113 1.00106.28 1SG 709 ATOM 709 CD1 TYR 98 51.118 -4.355 -80.862 1.00106.28 1SG 710 ATOM 710 CD2 TYR 98 52.050 -4.656 -83.021 1.00106.28 1SG 711 ATOM 711 CE1 TYR 98 52.179 -3.541 -80.532 1.00106.28 1SG 712 ATOM 712 CE2 TYR 98 53.109 -3.845 -82.698 1.00106.28 1SG 713 ATOM 713 CZ TYR 98 53.176 -3.289 -81.446 1.00106.28 1SG 714 ATOM 714 OH TYR 98 54.263 -2.454 -81.109 1.00106.28 1SG 715 ATOM 715 C TYR 98 48.257 -5.246 -84.352 1.00106.28 1SG 716 ATOM 716 O TYR 98 47.259 -5.967 -84.349 1.00106.28 1SG 717 ATOM 717 N GLU 99 48.828 -4.780 -85.476 1.00 49.27 1SG 718 ATOM 718 CA GLU 99 48.273 -4.929 -86.786 1.00 49.27 1SG 719 ATOM 719 CB GLU 99 49.133 -4.272 -87.879 1.00 49.27 1SG 720 ATOM 720 CG GLU 99 49.212 -2.748 -87.760 1.00 49.27 1SG 721 ATOM 721 CD GLU 99 50.299 -2.262 -88.709 1.00 49.27 1SG 722 ATOM 722 OE1 GLU 99 50.916 -3.126 -89.388 1.00 49.27 1SG 723 ATOM 723 OE2 GLU 99 50.530 -1.025 -88.764 1.00 49.27 1SG 724 ATOM 724 C GLU 99 48.108 -6.365 -87.146 1.00 49.27 1SG 725 ATOM 725 O GLU 99 48.851 -7.234 -86.692 1.00 49.27 1SG 726 ATOM 726 N LYS 100 47.061 -6.609 -87.962 1.00121.18 1SG 727 ATOM 727 CA LYS 100 46.678 -7.867 -88.534 1.00121.18 1SG 728 ATOM 728 CB LYS 100 47.750 -8.972 -88.496 1.00121.18 1SG 729 ATOM 729 CG LYS 100 47.377 -10.192 -89.340 1.00121.18 1SG 730 ATOM 730 CD LYS 100 48.546 -11.144 -89.604 1.00121.18 1SG 731 ATOM 731 CE LYS 100 48.611 -12.318 -88.626 1.00121.18 1SG 732 ATOM 732 NZ LYS 100 48.813 -11.818 -87.248 1.00121.18 1SG 733 ATOM 733 C LYS 100 45.465 -8.348 -87.813 1.00121.18 1SG 734 ATOM 734 O LYS 100 45.371 -8.267 -86.590 1.00121.18 1SG 735 ATOM 735 N PRO 101 44.515 -8.826 -88.566 1.00143.10 1SG 736 ATOM 736 CA PRO 101 43.330 -9.334 -87.941 1.00143.10 1SG 737 ATOM 737 CD PRO 101 44.224 -8.211 -89.852 1.00143.10 1SG 738 ATOM 738 CB PRO 101 42.260 -9.375 -89.028 1.00143.10 1SG 739 ATOM 739 CG PRO 101 42.694 -8.265 -90.001 1.00143.10 1SG 740 ATOM 740 C PRO 101 43.634 -10.663 -87.343 1.00143.10 1SG 741 ATOM 741 O PRO 101 44.562 -11.324 -87.806 1.00143.10 1SG 742 ATOM 742 N LEU 102 42.882 -11.072 -86.307 1.00 78.51 1SG 743 ATOM 743 CA LEU 102 43.143 -12.350 -85.723 1.00 78.51 1SG 744 ATOM 744 CB LEU 102 43.283 -12.325 -84.193 1.00 78.51 1SG 745 ATOM 745 CG LEU 102 44.552 -11.584 -83.730 1.00 78.51 1SG 746 ATOM 746 CD2 LEU 102 44.820 -11.808 -82.233 1.00 78.51 1SG 747 ATOM 747 CD1 LEU 102 44.507 -10.099 -84.119 1.00 78.51 1SG 748 ATOM 748 C LEU 102 42.016 -13.254 -86.089 1.00 78.51 1SG 749 ATOM 749 O LEU 102 40.911 -12.807 -86.394 1.00 78.51 1SG 750 ATOM 750 N HIS 103 42.295 -14.570 -86.088 1.00 69.77 1SG 751 ATOM 751 CA HIS 103 41.322 -15.548 -86.467 1.00 69.77 1SG 752 ATOM 752 ND1 HIS 103 44.255 -16.797 -87.498 1.00 69.77 1SG 753 ATOM 753 CG HIS 103 42.922 -17.091 -87.680 1.00 69.77 1SG 754 ATOM 754 CB HIS 103 41.887 -16.971 -86.604 1.00 69.77 1SG 755 ATOM 755 NE2 HIS 103 44.030 -17.446 -89.612 1.00 69.77 1SG 756 ATOM 756 CD2 HIS 103 42.802 -17.485 -88.977 1.00 69.77 1SG 757 ATOM 757 CE1 HIS 103 44.871 -17.027 -88.684 1.00 69.77 1SG 758 ATOM 758 C HIS 103 40.266 -15.604 -85.421 1.00 69.77 1SG 759 ATOM 759 O HIS 103 40.488 -15.249 -84.264 1.00 69.77 1SG 760 ATOM 760 N VAL 104 39.063 -16.034 -85.838 1.00 98.66 1SG 761 ATOM 761 CA VAL 104 37.959 -16.160 -84.942 1.00 98.66 1SG 762 ATOM 762 CB VAL 104 36.626 -16.219 -85.630 1.00 98.66 1SG 763 ATOM 763 CG1 VAL 104 36.597 -17.473 -86.521 1.00 98.66 1SG 764 ATOM 764 CG2 VAL 104 35.522 -16.203 -84.559 1.00 98.66 1SG 765 ATOM 765 C VAL 104 38.116 -17.443 -84.201 1.00 98.66 1SG 766 ATOM 766 O VAL 104 38.756 -18.396 -84.642 1.00 98.66 1SG 767 ATOM 767 N PRO 105 37.550 -17.418 -83.035 1.00155.73 1SG 768 ATOM 768 CA PRO 105 37.482 -18.574 -82.192 1.00155.73 1SG 769 ATOM 769 CD PRO 105 37.511 -16.187 -82.266 1.00155.73 1SG 770 ATOM 770 CB PRO 105 37.263 -18.061 -80.767 1.00155.73 1SG 771 ATOM 771 CG PRO 105 36.850 -16.591 -80.941 1.00155.73 1SG 772 ATOM 772 C PRO 105 36.335 -19.347 -82.733 1.00155.73 1SG 773 ATOM 773 O PRO 105 35.914 -19.067 -83.854 1.00155.73 1SG 774 ATOM 774 N ARG 106 35.798 -20.310 -81.965 1.00180.38 1SG 775 ATOM 775 CA ARG 106 34.701 -21.104 -82.437 1.00180.38 1SG 776 ATOM 776 CB ARG 106 34.250 -22.194 -81.449 1.00180.38 1SG 777 ATOM 777 CG ARG 106 33.494 -23.343 -82.125 1.00180.38 1SG 778 ATOM 778 CD ARG 106 33.409 -24.604 -81.260 1.00180.38 1SG 779 ATOM 779 NE ARG 106 32.809 -25.691 -82.086 1.00180.38 1SG 780 ATOM 780 CZ ARG 106 33.083 -26.998 -81.796 1.00180.38 1SG 781 ATOM 781 NH1 ARG 106 33.938 -27.307 -80.777 1.00180.38 1SG 782 ATOM 782 NH2 ARG 106 32.500 -27.997 -82.520 1.00180.38 1SG 783 ATOM 783 C ARG 106 33.546 -20.199 -82.758 1.00180.38 1SG 784 ATOM 784 O ARG 106 33.644 -18.972 -82.727 1.00180.38 1SG 785 ATOM 785 N ARG 107 32.371 -20.774 -83.065 1.00176.25 1SG 786 ATOM 786 CA ARG 107 31.330 -19.940 -83.594 1.00176.25 1SG 787 ATOM 787 CB ARG 107 30.373 -20.751 -84.488 1.00176.25 1SG 788 ATOM 788 CG ARG 107 31.078 -21.572 -85.576 1.00176.25 1SG 789 ATOM 789 CD ARG 107 31.881 -22.754 -85.020 1.00176.25 1SG 790 ATOM 790 NE ARG 107 32.474 -23.501 -86.166 1.00176.25 1SG 791 ATOM 791 CZ ARG 107 33.658 -24.162 -86.007 1.00176.25 1SG 792 ATOM 792 NH1 ARG 107 34.334 -24.075 -84.824 1.00176.25 1SG 793 ATOM 793 NH2 ARG 107 34.165 -24.915 -87.027 1.00176.25 1SG 794 ATOM 794 C ARG 107 30.459 -19.250 -82.563 1.00176.25 1SG 795 ATOM 795 O ARG 107 29.245 -19.278 -82.755 1.00176.25 1SG 796 ATOM 796 N PRO 108 30.908 -18.618 -81.500 1.00115.83 1SG 797 ATOM 797 CA PRO 108 29.944 -17.819 -80.788 1.00115.83 1SG 798 ATOM 798 CD PRO 108 31.763 -19.306 -80.541 1.00115.83 1SG 799 ATOM 799 CB PRO 108 30.346 -17.816 -79.309 1.00115.83 1SG 800 ATOM 800 CG PRO 108 31.751 -18.429 -79.285 1.00115.83 1SG 801 ATOM 801 C PRO 108 29.893 -16.449 -81.393 1.00115.83 1SG 802 ATOM 802 O PRO 108 30.778 -16.110 -82.178 1.00115.83 1SG 803 ATOM 803 N GLY 109 28.855 -15.660 -81.046 1.00128.44 1SG 804 ATOM 804 CA GLY 109 28.722 -14.299 -81.481 1.00128.44 1SG 805 ATOM 805 C GLY 109 28.321 -13.532 -80.257 1.00128.44 1SG 806 ATOM 806 O GLY 109 27.837 -14.122 -79.292 1.00128.44 1SG 807 ATOM 807 N ARG 110 28.544 -12.201 -80.242 1.00235.55 1SG 808 ATOM 808 CA ARG 110 28.156 -11.410 -79.105 1.00235.55 1SG 809 ATOM 809 CB ARG 110 29.325 -11.194 -78.141 1.00235.55 1SG 810 ATOM 810 CG ARG 110 29.687 -12.468 -77.380 1.00235.55 1SG 811 ATOM 811 CD ARG 110 30.839 -12.276 -76.396 1.00235.55 1SG 812 ATOM 812 NE ARG 110 30.424 -11.241 -75.406 1.00235.55 1SG 813 ATOM 813 CZ ARG 110 31.181 -11.047 -74.286 1.00235.55 1SG 814 ATOM 814 NH1 ARG 110 32.282 -11.825 -74.076 1.00235.55 1SG 815 ATOM 815 NH2 ARG 110 30.864 -10.068 -73.390 1.00235.55 1SG 816 ATOM 816 C ARG 110 27.757 -10.071 -79.629 1.00235.55 1SG 817 ATOM 817 O ARG 110 28.626 -9.307 -80.044 1.00235.55 1SG 818 ATOM 818 N VAL 111 26.452 -9.714 -79.560 1.00149.18 1SG 819 ATOM 819 CA VAL 111 26.074 -8.528 -80.275 1.00149.18 1SG 820 ATOM 820 CB VAL 111 25.450 -8.872 -81.590 1.00149.18 1SG 821 ATOM 821 CG1 VAL 111 24.242 -9.784 -81.316 1.00149.18 1SG 822 ATOM 822 CG2 VAL 111 25.114 -7.575 -82.340 1.00149.18 1SG 823 ATOM 823 C VAL 111 25.136 -7.607 -79.537 1.00149.18 1SG 824 ATOM 824 O VAL 111 24.202 -8.021 -78.852 1.00149.18 1SG 825 ATOM 825 N MET 112 25.398 -6.294 -79.723 1.00254.28 1SG 826 ATOM 826 CA MET 112 24.703 -5.120 -79.262 1.00254.28 1SG 827 ATOM 827 CB MET 112 25.219 -4.562 -77.921 1.00254.28 1SG 828 ATOM 828 CG MET 112 24.953 -5.436 -76.692 1.00254.28 1SG 829 ATOM 829 SD MET 112 25.789 -4.816 -75.196 1.00254.28 1SG 830 ATOM 830 CE MET 112 25.285 -6.118 -74.034 1.00254.28 1SG 831 ATOM 831 C MET 112 25.132 -4.134 -80.299 1.00254.28 1SG 832 ATOM 832 O MET 112 25.147 -4.469 -81.482 1.00254.28 1SG 833 ATOM 833 N PHE 113 25.444 -2.875 -79.917 1.00196.06 1SG 834 ATOM 834 CA PHE 113 26.168 -2.102 -80.886 1.00196.06 1SG 835 ATOM 835 CB PHE 113 26.434 -0.631 -80.479 1.00196.06 1SG 836 ATOM 836 CG PHE 113 25.227 0.259 -80.504 1.00196.06 1SG 837 ATOM 837 CD1 PHE 113 24.342 0.299 -79.449 1.00196.06 1SG 838 ATOM 838 CD2 PHE 113 24.989 1.077 -81.587 1.00196.06 1SG 839 ATOM 839 CE1 PHE 113 23.245 1.132 -79.479 1.00196.06 1SG 840 ATOM 840 CE2 PHE 113 23.895 1.912 -81.623 1.00196.06 1SG 841 ATOM 841 CZ PHE 113 23.017 1.940 -80.567 1.00196.06 1SG 842 ATOM 842 C PHE 113 27.487 -2.777 -80.719 1.00196.06 1SG 843 ATOM 843 O PHE 113 28.334 -2.312 -79.957 1.00196.06 1SG 844 ATOM 844 N VAL 114 27.701 -3.908 -81.417 1.00124.74 1SG 845 ATOM 845 CA VAL 114 28.834 -4.680 -81.015 1.00124.74 1SG 846 ATOM 846 CB VAL 114 28.563 -5.162 -79.605 1.00124.74 1SG 847 ATOM 847 CG1 VAL 114 28.201 -6.640 -79.582 1.00124.74 1SG 848 ATOM 848 CG2 VAL 114 29.650 -4.690 -78.640 1.00124.74 1SG 849 ATOM 849 C VAL 114 28.913 -5.801 -82.029 1.00124.74 1SG 850 ATOM 850 O VAL 114 28.134 -5.765 -82.981 1.00124.74 1SG 851 ATOM 851 N ASP 115 29.836 -6.795 -81.871 1.00115.54 1SG 852 ATOM 852 CA ASP 115 30.073 -7.862 -82.830 1.00115.54 1SG 853 ATOM 853 CB ASP 115 30.923 -9.029 -82.261 1.00115.54 1SG 854 ATOM 854 CG ASP 115 31.424 -9.983 -83.354 1.00115.54 1SG 855 ATOM 855 OD1 ASP 115 31.400 -9.621 -84.563 1.00115.54 1SG 856 ATOM 856 OD2 ASP 115 31.858 -11.102 -82.972 1.00115.54 1SG 857 ATOM 857 C ASP 115 28.741 -8.399 -83.231 1.00115.54 1SG 858 ATOM 858 O ASP 115 28.076 -9.114 -82.486 1.00115.54 1SG 859 ATOM 859 N LEU 116 28.297 -8.047 -84.445 1.00131.11 1SG 860 ATOM 860 CA LEU 116 26.946 -8.386 -84.762 1.00131.11 1SG 861 ATOM 861 CB LEU 116 26.512 -7.863 -86.146 1.00131.11 1SG 862 ATOM 862 CG LEU 116 27.660 -7.594 -87.147 1.00131.11 1SG 863 ATOM 863 CD2 LEU 116 27.084 -7.206 -88.519 1.00131.11 1SG 864 ATOM 864 CD1 LEU 116 28.637 -8.771 -87.274 1.00131.11 1SG 865 ATOM 865 C LEU 116 26.685 -9.858 -84.729 1.00131.11 1SG 866 ATOM 866 O LEU 116 25.924 -10.315 -83.876 1.00131.11 1SG 867 ATOM 867 N SER 117 27.374 -10.636 -85.591 1.00196.12 1SG 868 ATOM 868 CA SER 117 27.070 -12.031 -85.766 1.00196.12 1SG 869 ATOM 869 CB SER 117 27.502 -12.932 -84.597 1.00196.12 1SG 870 ATOM 870 OG SER 117 27.295 -14.293 -84.948 1.00196.12 1SG 871 ATOM 871 C SER 117 25.583 -12.074 -85.924 1.00196.12 1SG 872 ATOM 872 O SER 117 24.892 -12.893 -85.317 1.00196.12 1SG 873 ATOM 873 N GLU 118 25.062 -11.154 -86.757 1.00 80.68 1SG 874 ATOM 874 CA GLU 118 23.650 -10.936 -86.825 1.00 80.68 1SG 875 ATOM 875 CB GLU 118 23.327 -9.660 -86.036 1.00 80.68 1SG 876 ATOM 876 CG GLU 118 21.995 -8.987 -86.332 1.00 80.68 1SG 877 ATOM 877 CD GLU 118 21.987 -7.741 -85.464 1.00 80.68 1SG 878 ATOM 878 OE1 GLU 118 22.921 -7.608 -84.627 1.00 80.68 1SG 879 ATOM 879 OE2 GLU 118 21.060 -6.904 -85.626 1.00 80.68 1SG 880 ATOM 880 C GLU 118 23.207 -10.706 -88.236 1.00 80.68 1SG 881 ATOM 881 O GLU 118 23.769 -9.869 -88.940 1.00 80.68 1SG 882 ATOM 882 N VAL 119 22.185 -11.466 -88.687 1.00103.09 1SG 883 ATOM 883 CA VAL 119 21.582 -11.206 -89.965 1.00103.09 1SG 884 ATOM 884 CB VAL 119 22.257 -11.859 -91.139 1.00103.09 1SG 885 ATOM 885 CG1 VAL 119 21.413 -11.562 -92.393 1.00103.09 1SG 886 ATOM 886 CG2 VAL 119 23.706 -11.358 -91.242 1.00103.09 1SG 887 ATOM 887 C VAL 119 20.197 -11.772 -89.933 1.00103.09 1SG 888 ATOM 888 O VAL 119 20.007 -12.936 -89.584 1.00103.09 1SG 889 ATOM 889 N ARG 120 19.198 -10.938 -90.294 1.00125.61 1SG 890 ATOM 890 CA ARG 120 17.818 -11.319 -90.429 1.00125.61 1SG 891 ATOM 891 CB ARG 120 17.474 -11.960 -91.790 1.00125.61 1SG 892 ATOM 892 CG ARG 120 17.451 -10.961 -92.954 1.00125.61 1SG 893 ATOM 893 CD ARG 120 18.833 -10.480 -93.406 1.00125.61 1SG 894 ATOM 894 NE ARG 120 18.638 -9.514 -94.527 1.00125.61 1SG 895 ATOM 895 CZ ARG 120 18.482 -8.185 -94.257 1.00125.61 1SG 896 ATOM 896 NH1 ARG 120 18.493 -7.751 -92.963 1.00125.61 1SG 897 ATOM 897 NH2 ARG 120 18.327 -7.288 -95.274 1.00125.61 1SG 898 ATOM 898 C ARG 120 17.378 -12.228 -89.323 1.00125.61 1SG 899 ATOM 899 O ARG 120 17.013 -13.378 -89.568 1.00125.61 1SG 900 ATOM 900 N TRP 121 17.399 -11.737 -88.069 1.00 79.68 1SG 901 ATOM 901 CA TRP 121 16.969 -12.562 -86.977 1.00 79.68 1SG 902 ATOM 902 CB TRP 121 17.424 -12.047 -85.604 1.00 79.68 1SG 903 ATOM 903 CG TRP 121 18.922 -12.040 -85.442 1.00 79.68 1SG 904 ATOM 904 CD2 TRP 121 19.714 -13.181 -85.076 1.00 79.68 1SG 905 ATOM 905 CD1 TRP 121 19.793 -11.010 -85.632 1.00 79.68 1SG 906 ATOM 906 NE1 TRP 121 21.078 -11.439 -85.412 1.00 79.68 1SG 907 ATOM 907 CE2 TRP 121 21.047 -12.770 -85.071 1.00 79.68 1SG 908 ATOM 908 CE3 TRP 121 19.364 -14.466 -84.777 1.00 79.68 1SG 909 ATOM 909 CZ2 TRP 121 22.054 -13.638 -84.766 1.00 79.68 1SG 910 ATOM 910 CZ3 TRP 121 20.384 -15.338 -84.463 1.00 79.68 1SG 911 ATOM 911 CH2 TRP 121 21.702 -14.933 -84.458 1.00 79.68 1SG 912 ATOM 912 C TRP 121 15.444 -12.546 -86.968 1.00 79.68 1SG 913 ATOM 913 O TRP 121 14.865 -11.454 -86.725 1.00 79.68 1SG 914 ATOM 914 OXT TRP 121 14.838 -13.628 -87.195 1.00 79.68 1SG 915 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.583 REMARK SCORE 0.583 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 11 PARENT 1VKB_A ATOM 1 N ARG 3 31.591 8.565 -17.280 1.00101.26 1SG 2 ATOM 2 CA ARG 3 32.360 9.266 -16.221 1.00101.26 1SG 3 ATOM 3 CB ARG 3 32.637 10.733 -16.602 1.00101.26 1SG 4 ATOM 4 CG ARG 3 33.120 11.578 -15.415 1.00101.26 1SG 5 ATOM 5 CD ARG 3 34.575 11.359 -14.991 1.00101.26 1SG 6 ATOM 6 NE ARG 3 34.707 11.786 -13.563 1.00101.26 1SG 7 ATOM 7 CZ ARG 3 35.117 13.045 -13.224 1.00101.26 1SG 8 ATOM 8 NH1 ARG 3 35.372 13.975 -14.185 1.00101.26 1SG 9 ATOM 9 NH2 ARG 3 35.310 13.378 -11.913 1.00101.26 1SG 10 ATOM 10 C ARG 3 31.652 9.268 -14.909 1.00101.26 1SG 11 ATOM 11 O ARG 3 30.427 9.225 -14.820 1.00101.26 1SG 12 ATOM 12 N PRO 4 32.456 9.290 -13.885 1.00 99.08 1SG 13 ATOM 13 CA PRO 4 31.942 9.329 -12.547 1.00 99.08 1SG 14 ATOM 14 CD PRO 4 33.753 8.639 -13.949 1.00 99.08 1SG 15 ATOM 15 CB PRO 4 33.070 8.826 -11.641 1.00 99.08 1SG 16 ATOM 16 CG PRO 4 34.323 8.813 -12.536 1.00 99.08 1SG 17 ATOM 17 C PRO 4 31.498 10.724 -12.259 1.00 99.08 1SG 18 ATOM 18 O PRO 4 31.978 11.645 -12.917 1.00 99.08 1SG 19 ATOM 19 N LYS 5 30.576 10.908 -11.294 1.00 38.23 1SG 20 ATOM 20 CA LYS 5 30.110 12.231 -11.007 1.00 38.23 1SG 21 ATOM 21 CB LYS 5 28.632 12.426 -11.393 1.00 38.23 1SG 22 ATOM 22 CG LYS 5 28.423 12.307 -12.908 1.00 38.23 1SG 23 ATOM 23 CD LYS 5 26.975 12.079 -13.347 1.00 38.23 1SG 24 ATOM 24 CE LYS 5 26.812 11.964 -14.865 1.00 38.23 1SG 25 ATOM 25 NZ LYS 5 25.475 11.419 -15.193 1.00 38.23 1SG 26 ATOM 26 C LYS 5 30.285 12.475 -9.539 1.00 38.23 1SG 27 ATOM 27 O LYS 5 30.289 11.541 -8.738 1.00 38.23 1SG 28 ATOM 28 N LEU 6 30.460 13.755 -9.152 1.00123.47 1SG 29 ATOM 29 CA LEU 6 30.668 14.090 -7.770 1.00123.47 1SG 30 ATOM 30 CB LEU 6 31.814 15.100 -7.561 1.00123.47 1SG 31 ATOM 31 CG LEU 6 32.085 15.454 -6.087 1.00123.47 1SG 32 ATOM 32 CD2 LEU 6 33.039 16.654 -5.967 1.00123.47 1SG 33 ATOM 33 CD1 LEU 6 32.578 14.228 -5.301 1.00123.47 1SG 34 ATOM 34 C LEU 6 29.399 14.698 -7.251 1.00123.47 1SG 35 ATOM 35 O LEU 6 28.548 15.131 -8.026 1.00123.47 1SG 36 ATOM 36 N GLY 7 29.225 14.717 -5.911 1.00 25.44 1SG 37 ATOM 37 CA GLY 7 28.024 15.263 -5.339 1.00 25.44 1SG 38 ATOM 38 C GLY 7 28.402 16.490 -4.575 1.00 25.44 1SG 39 ATOM 39 O GLY 7 29.419 16.511 -3.886 1.00 25.44 1SG 40 ATOM 40 N LEU 8 27.569 17.549 -4.660 1.00132.69 1SG 41 ATOM 41 CA LEU 8 27.933 18.776 -4.010 1.00132.69 1SG 42 ATOM 42 CB LEU 8 28.176 19.937 -4.994 1.00132.69 1SG 43 ATOM 43 CG LEU 8 28.605 21.249 -4.304 1.00132.69 1SG 44 ATOM 44 CD2 LEU 8 28.418 22.470 -5.214 1.00132.69 1SG 45 ATOM 45 CD1 LEU 8 30.020 21.127 -3.717 1.00132.69 1SG 46 ATOM 46 C LEU 8 26.834 19.218 -3.097 1.00132.69 1SG 47 ATOM 47 O LEU 8 25.693 18.770 -3.208 1.00132.69 1SG 48 ATOM 48 N ILE 9 27.177 20.123 -2.153 1.00100.56 1SG 49 ATOM 49 CA ILE 9 26.219 20.671 -1.243 1.00100.56 1SG 50 ATOM 50 CB ILE 9 26.610 20.594 0.215 1.00100.56 1SG 51 ATOM 51 CG2 ILE 9 27.656 21.670 0.497 1.00100.56 1SG 52 ATOM 52 CG1 ILE 9 25.387 20.790 1.121 1.00100.56 1SG 53 ATOM 53 CD1 ILE 9 25.607 20.355 2.568 1.00100.56 1SG 54 ATOM 54 C ILE 9 26.038 22.109 -1.616 1.00100.56 1SG 55 ATOM 55 O ILE 9 26.997 22.835 -1.880 1.00100.56 1SG 56 ATOM 56 N VAL 10 24.770 22.542 -1.714 1.00109.16 1SG 57 ATOM 57 CA VAL 10 24.493 23.891 -2.066 1.00109.16 1SG 58 ATOM 58 CB VAL 10 23.939 24.020 -3.450 1.00109.16 1SG 59 ATOM 59 CG1 VAL 10 25.022 23.571 -4.449 1.00109.16 1SG 60 ATOM 60 CG2 VAL 10 22.651 23.183 -3.523 1.00109.16 1SG 61 ATOM 61 C VAL 10 23.475 24.396 -1.103 1.00109.16 1SG 62 ATOM 62 O VAL 10 22.505 23.714 -0.775 1.00109.16 1SG 63 ATOM 63 N ARG 11 23.714 25.614 -0.590 1.00219.57 1SG 64 ATOM 64 CA ARG 11 22.793 26.222 0.314 1.00219.57 1SG 65 ATOM 65 CB ARG 11 23.267 26.070 1.765 1.00219.57 1SG 66 ATOM 66 CG ARG 11 24.712 26.548 1.916 1.00219.57 1SG 67 ATOM 67 CD ARG 11 25.236 26.610 3.349 1.00219.57 1SG 68 ATOM 68 NE ARG 11 26.721 26.702 3.252 1.00219.57 1SG 69 ATOM 69 CZ ARG 11 27.334 27.884 2.952 1.00219.57 1SG 70 ATOM 70 NH1 ARG 11 26.591 29.004 2.710 1.00219.57 1SG 71 ATOM 71 NH2 ARG 11 28.695 27.941 2.871 1.00219.57 1SG 72 ATOM 72 C ARG 11 22.759 27.683 0.002 1.00219.57 1SG 73 ATOM 73 O ARG 11 23.117 28.505 0.843 1.00219.57 1SG 74 ATOM 74 N GLU 12 22.304 28.061 -1.209 1.00 71.74 1SG 75 ATOM 75 CA GLU 12 22.248 29.466 -1.486 1.00 71.74 1SG 76 ATOM 76 CB GLU 12 23.583 30.112 -1.897 1.00 71.74 1SG 77 ATOM 77 CG GLU 12 24.570 30.220 -0.731 1.00 71.74 1SG 78 ATOM 78 CD GLU 12 25.591 31.296 -1.068 1.00 71.74 1SG 79 ATOM 79 OE1 GLU 12 25.163 32.370 -1.569 1.00 71.74 1SG 80 ATOM 80 OE2 GLU 12 26.806 31.066 -0.827 1.00 71.74 1SG 81 ATOM 81 C GLU 12 21.240 29.734 -2.556 1.00 71.74 1SG 82 ATOM 82 O GLU 12 20.724 28.848 -3.236 1.00 71.74 1SG 83 ATOM 83 N PRO 13 20.953 31.002 -2.641 1.00 79.93 1SG 84 ATOM 84 CA PRO 13 19.958 31.514 -3.546 1.00 79.93 1SG 85 ATOM 85 CD PRO 13 21.045 31.810 -1.435 1.00 79.93 1SG 86 ATOM 86 CB PRO 13 19.645 32.929 -3.062 1.00 79.93 1SG 87 ATOM 87 CG PRO 13 19.946 32.875 -1.556 1.00 79.93 1SG 88 ATOM 88 C PRO 13 20.234 31.462 -5.019 1.00 79.93 1SG 89 ATOM 89 O PRO 13 19.279 31.628 -5.776 1.00 79.93 1SG 90 ATOM 90 N TYR 14 21.479 31.246 -5.487 1.00154.42 1SG 91 ATOM 91 CA TYR 14 21.602 31.314 -6.918 1.00154.42 1SG 92 ATOM 92 CB TYR 14 23.015 31.678 -7.416 1.00154.42 1SG 93 ATOM 93 CG TYR 14 23.239 33.132 -7.167 1.00154.42 1SG 94 ATOM 94 CD1 TYR 14 23.633 33.595 -5.933 1.00154.42 1SG 95 ATOM 95 CD2 TYR 14 23.057 34.036 -8.189 1.00154.42 1SG 96 ATOM 96 CE1 TYR 14 23.837 34.940 -5.723 1.00154.42 1SG 97 ATOM 97 CE2 TYR 14 23.259 35.381 -7.986 1.00154.42 1SG 98 ATOM 98 CZ TYR 14 23.650 35.835 -6.750 1.00154.42 1SG 99 ATOM 99 OH TYR 14 23.858 37.214 -6.539 1.00154.42 1SG 100 ATOM 100 C TYR 14 21.245 29.985 -7.493 1.00154.42 1SG 101 ATOM 101 O TYR 14 22.102 29.181 -7.855 1.00154.42 1SG 102 ATOM 102 N ALA 15 19.923 29.748 -7.578 1.00 49.61 1SG 103 ATOM 103 CA ALA 15 19.327 28.565 -8.122 1.00 49.61 1SG 104 ATOM 104 CB ALA 15 17.809 28.504 -7.882 1.00 49.61 1SG 105 ATOM 105 C ALA 15 19.546 28.505 -9.601 1.00 49.61 1SG 106 ATOM 106 O ALA 15 19.807 27.442 -10.156 1.00 49.61 1SG 107 ATOM 107 N SER 16 19.476 29.658 -10.286 1.00 68.14 1SG 108 ATOM 108 CA SER 16 19.480 29.662 -11.722 1.00 68.14 1SG 109 ATOM 109 CB SER 16 19.426 31.081 -12.314 1.00 68.14 1SG 110 ATOM 110 OG SER 16 19.437 31.016 -13.732 1.00 68.14 1SG 111 ATOM 111 C SER 16 20.711 29.007 -12.262 1.00 68.14 1SG 112 ATOM 112 O SER 16 20.659 28.360 -13.308 1.00 68.14 1SG 113 ATOM 113 N LEU 17 21.850 29.123 -11.560 1.00120.00 1SG 114 ATOM 114 CA LEU 17 23.073 28.605 -12.103 1.00120.00 1SG 115 ATOM 115 CB LEU 17 24.299 28.892 -11.220 1.00120.00 1SG 116 ATOM 116 CG LEU 17 25.618 28.411 -11.852 1.00120.00 1SG 117 ATOM 117 CD2 LEU 17 26.786 28.512 -10.858 1.00120.00 1SG 118 ATOM 118 CD1 LEU 17 25.900 29.150 -13.172 1.00120.00 1SG 119 ATOM 119 C LEU 17 22.965 27.123 -12.283 1.00120.00 1SG 120 ATOM 120 O LEU 17 23.474 26.579 -13.262 1.00120.00 1SG 121 ATOM 121 N ILE 18 22.282 26.424 -11.358 1.00 85.13 1SG 122 ATOM 122 CA ILE 18 22.237 24.990 -11.427 1.00 85.13 1SG 123 ATOM 123 CB ILE 18 21.459 24.342 -10.308 1.00 85.13 1SG 124 ATOM 124 CG2 ILE 18 19.978 24.730 -10.411 1.00 85.13 1SG 125 ATOM 125 CG1 ILE 18 21.651 22.821 -10.356 1.00 85.13 1SG 126 ATOM 126 CD1 ILE 18 21.156 22.102 -9.102 1.00 85.13 1SG 127 ATOM 127 C ILE 18 21.610 24.539 -12.708 1.00 85.13 1SG 128 ATOM 128 O ILE 18 22.107 23.610 -13.342 1.00 85.13 1SG 129 ATOM 129 N VAL 19 20.513 25.188 -13.142 1.00 23.14 1SG 130 ATOM 130 CA VAL 19 19.823 24.706 -14.303 1.00 23.14 1SG 131 ATOM 131 CB VAL 19 18.632 25.538 -14.675 1.00 23.14 1SG 132 ATOM 132 CG1 VAL 19 18.028 24.973 -15.973 1.00 23.14 1SG 133 ATOM 133 CG2 VAL 19 17.652 25.541 -13.490 1.00 23.14 1SG 134 ATOM 134 C VAL 19 20.761 24.708 -15.463 1.00 23.14 1SG 135 ATOM 135 O VAL 19 20.843 23.726 -16.199 1.00 23.14 1SG 136 ATOM 136 N ASP 20 21.519 25.802 -15.654 1.00 33.33 1SG 137 ATOM 137 CA ASP 20 22.407 25.802 -16.776 1.00 33.33 1SG 138 ATOM 138 CB ASP 20 22.921 27.204 -17.149 1.00 33.33 1SG 139 ATOM 139 CG ASP 20 23.481 27.153 -18.565 1.00 33.33 1SG 140 ATOM 140 OD1 ASP 20 23.591 26.027 -19.120 1.00 33.33 1SG 141 ATOM 141 OD2 ASP 20 23.801 28.242 -19.112 1.00 33.33 1SG 142 ATOM 142 C ASP 20 23.572 24.944 -16.396 1.00 33.33 1SG 143 ATOM 143 O ASP 20 24.449 25.361 -15.641 1.00 33.33 1SG 144 ATOM 144 N GLY 21 23.589 23.700 -16.915 1.00 36.21 1SG 145 ATOM 145 CA GLY 21 24.624 22.751 -16.620 1.00 36.21 1SG 146 ATOM 146 C GLY 21 23.920 21.519 -16.152 1.00 36.21 1SG 147 ATOM 147 O GLY 21 22.706 21.534 -15.959 1.00 36.21 1SG 148 ATOM 148 N ARG 22 24.656 20.407 -15.951 1.00 84.47 1SG 149 ATOM 149 CA ARG 22 23.968 19.241 -15.479 1.00 84.47 1SG 150 ATOM 150 CB ARG 22 24.433 17.900 -16.069 1.00 84.47 1SG 151 ATOM 151 CG ARG 22 23.770 16.726 -15.339 1.00 84.47 1SG 152 ATOM 152 CD ARG 22 24.244 15.336 -15.765 1.00 84.47 1SG 153 ATOM 153 NE ARG 22 23.675 14.367 -14.782 1.00 84.47 1SG 154 ATOM 154 CZ ARG 22 23.118 13.195 -15.205 1.00 84.47 1SG 155 ATOM 155 NH1 ARG 22 23.061 12.908 -16.538 1.00 84.47 1SG 156 ATOM 156 NH2 ARG 22 22.613 12.311 -14.295 1.00 84.47 1SG 157 ATOM 157 C ARG 22 24.197 19.129 -14.015 1.00 84.47 1SG 158 ATOM 158 O ARG 22 25.329 18.976 -13.559 1.00 84.47 1SG 159 ATOM 159 N LYS 23 23.099 19.208 -13.243 1.00 88.72 1SG 160 ATOM 160 CA LYS 23 23.161 19.102 -11.818 1.00 88.72 1SG 161 ATOM 161 CB LYS 23 23.274 20.506 -11.188 1.00 88.72 1SG 162 ATOM 162 CG LYS 23 23.735 20.553 -9.734 1.00 88.72 1SG 163 ATOM 163 CD LYS 23 24.226 21.922 -9.260 1.00 88.72 1SG 164 ATOM 164 CE LYS 23 24.503 21.984 -7.757 1.00 88.72 1SG 165 ATOM 165 NZ LYS 23 24.704 23.389 -7.338 1.00 88.72 1SG 166 ATOM 166 C LYS 23 21.855 18.461 -11.437 1.00 88.72 1SG 167 ATOM 167 O LYS 23 20.798 18.954 -11.824 1.00 88.72 1SG 168 ATOM 168 N VAL 24 21.871 17.337 -10.683 1.00 38.39 1SG 169 ATOM 169 CA VAL 24 20.614 16.681 -10.418 1.00 38.39 1SG 170 ATOM 170 CB VAL 24 20.599 15.249 -10.859 1.00 38.39 1SG 171 ATOM 171 CG1 VAL 24 19.257 14.628 -10.439 1.00 38.39 1SG 172 ATOM 172 CG2 VAL 24 20.882 15.191 -12.371 1.00 38.39 1SG 173 ATOM 173 C VAL 24 20.333 16.671 -8.946 1.00 38.39 1SG 174 ATOM 174 O VAL 24 21.086 16.089 -8.167 1.00 38.39 1SG 175 ATOM 175 N TRP 25 19.215 17.309 -8.537 1.00 68.30 1SG 176 ATOM 176 CA TRP 25 18.841 17.409 -7.151 1.00 68.30 1SG 177 ATOM 177 CB TRP 25 17.597 18.291 -6.951 1.00 68.30 1SG 178 ATOM 178 CG TRP 25 16.955 18.176 -5.591 1.00 68.30 1SG 179 ATOM 179 CD2 TRP 25 15.831 17.322 -5.322 1.00 68.30 1SG 180 ATOM 180 CD1 TRP 25 17.258 18.799 -4.416 1.00 68.30 1SG 181 ATOM 181 NE1 TRP 25 16.398 18.378 -3.428 1.00 68.30 1SG 182 ATOM 182 CE2 TRP 25 15.514 17.470 -3.973 1.00 68.30 1SG 183 ATOM 183 CE3 TRP 25 15.121 16.484 -6.134 1.00 68.30 1SG 184 ATOM 184 CZ2 TRP 25 14.478 16.777 -3.413 1.00 68.30 1SG 185 ATOM 185 CZ3 TRP 25 14.078 15.786 -5.567 1.00 68.30 1SG 186 ATOM 186 CH2 TRP 25 13.763 15.930 -4.231 1.00 68.30 1SG 187 ATOM 187 C TRP 25 18.519 16.056 -6.606 1.00 68.30 1SG 188 ATOM 188 O TRP 25 17.517 15.450 -6.983 1.00 68.30 1SG 189 ATOM 189 N GLU 26 19.403 15.528 -5.730 1.00 94.55 1SG 190 ATOM 190 CA GLU 26 19.164 14.264 -5.092 1.00 94.55 1SG 191 ATOM 191 CB GLU 26 20.452 13.625 -4.545 1.00 94.55 1SG 192 ATOM 192 CG GLU 26 21.415 13.176 -5.646 1.00 94.55 1SG 193 ATOM 193 CD GLU 26 20.753 12.035 -6.406 1.00 94.55 1SG 194 ATOM 194 OE1 GLU 26 19.618 11.648 -6.019 1.00 94.55 1SG 195 ATOM 195 OE2 GLU 26 21.372 11.536 -7.384 1.00 94.55 1SG 196 ATOM 196 C GLU 26 18.189 14.368 -3.950 1.00 94.55 1SG 197 ATOM 197 O GLU 26 17.208 13.629 -3.903 1.00 94.55 1SG 198 ATOM 198 N ILE 27 18.426 15.291 -2.987 1.00151.14 1SG 199 ATOM 199 CA ILE 27 17.555 15.314 -1.842 1.00151.14 1SG 200 ATOM 200 CB ILE 27 17.653 14.067 -1.032 1.00151.14 1SG 201 ATOM 201 CG2 ILE 27 19.007 14.135 -0.298 1.00151.14 1SG 202 ATOM 202 CG1 ILE 27 16.406 13.908 -0.138 1.00151.14 1SG 203 ATOM 203 CD1 ILE 27 15.111 13.790 -0.937 1.00151.14 1SG 204 ATOM 204 C ILE 27 17.934 16.482 -0.965 1.00151.14 1SG 205 ATOM 205 O ILE 27 18.562 17.435 -1.422 1.00151.14 1SG 206 ATOM 206 N ARG 28 17.509 16.441 0.322 1.00 96.95 1SG 207 ATOM 207 CA ARG 28 17.829 17.419 1.326 1.00 96.95 1SG 208 ATOM 208 CB ARG 28 16.605 17.911 2.108 1.00 96.95 1SG 209 ATOM 209 CG ARG 28 15.582 18.668 1.263 1.00 96.95 1SG 210 ATOM 210 CD ARG 28 14.321 19.053 2.041 1.00 96.95 1SG 211 ATOM 211 NE ARG 28 13.614 17.793 2.414 1.00 96.95 1SG 212 ATOM 212 CZ ARG 28 13.923 17.129 3.567 1.00 96.95 1SG 213 ATOM 213 NH1 ARG 28 14.911 17.586 4.392 1.00 96.95 1SG 214 ATOM 214 NH2 ARG 28 13.229 16.005 3.908 1.00 96.95 1SG 215 ATOM 215 C ARG 28 18.716 16.750 2.335 1.00 96.95 1SG 216 ATOM 216 O ARG 28 18.516 15.582 2.672 1.00 96.95 1SG 217 ATOM 217 N ARG 29 19.731 17.483 2.848 1.00211.06 1SG 218 ATOM 218 CA ARG 29 20.648 16.877 3.772 1.00211.06 1SG 219 ATOM 219 CB ARG 29 21.707 16.098 2.973 1.00211.06 1SG 220 ATOM 220 CG ARG 29 22.369 14.940 3.711 1.00211.06 1SG 221 ATOM 221 CD ARG 29 22.978 13.879 2.789 1.00211.06 1SG 222 ATOM 222 NE ARG 29 24.440 14.127 2.673 1.00211.06 1SG 223 ATOM 223 CZ ARG 29 25.356 13.162 2.989 1.00211.06 1SG 224 ATOM 224 NH1 ARG 29 24.970 11.891 3.291 1.00211.06 1SG 225 ATOM 225 NH2 ARG 29 26.680 13.478 3.079 1.00211.06 1SG 226 ATOM 226 C ARG 29 21.245 17.976 4.628 1.00211.06 1SG 227 ATOM 227 O ARG 29 21.262 19.133 4.213 1.00211.06 1SG 228 ATOM 228 N ARG 30 21.728 17.651 5.856 1.00 76.85 1SG 229 ATOM 229 CA ARG 30 22.240 18.634 6.794 1.00 76.85 1SG 230 ATOM 230 CB ARG 30 21.413 18.694 8.092 1.00 76.85 1SG 231 ATOM 231 CG ARG 30 21.984 19.581 9.202 1.00 76.85 1SG 232 ATOM 232 CD ARG 30 21.201 19.436 10.511 1.00 76.85 1SG 233 ATOM 233 NE ARG 30 21.929 20.171 11.582 1.00 76.85 1SG 234 ATOM 234 CZ ARG 30 21.571 19.990 12.888 1.00 76.85 1SG 235 ATOM 235 NH1 ARG 30 20.547 19.144 13.204 1.00 76.85 1SG 236 ATOM 236 NH2 ARG 30 22.237 20.653 13.877 1.00 76.85 1SG 237 ATOM 237 C ARG 30 23.634 18.254 7.199 1.00 76.85 1SG 238 ATOM 238 O ARG 30 23.989 17.082 7.178 1.00 76.85 1SG 239 ATOM 239 N LYS 31 24.475 19.239 7.586 1.00 97.14 1SG 240 ATOM 240 CA LYS 31 25.826 18.895 7.933 1.00 97.14 1SG 241 ATOM 241 CB LYS 31 26.822 20.057 7.954 1.00 97.14 1SG 242 ATOM 242 CG LYS 31 28.203 19.531 8.342 1.00 97.14 1SG 243 ATOM 243 CD LYS 31 29.336 20.544 8.239 1.00 97.14 1SG 244 ATOM 244 CE LYS 31 30.693 19.963 8.636 1.00 97.14 1SG 245 ATOM 245 NZ LYS 31 31.739 21.003 8.548 1.00 97.14 1SG 246 ATOM 246 C LYS 31 25.896 18.263 9.281 1.00 97.14 1SG 247 ATOM 247 O LYS 31 25.411 18.814 10.269 1.00 97.14 1SG 248 ATOM 248 N THR 32 26.520 17.068 9.335 1.00105.94 1SG 249 ATOM 249 CA THR 32 26.705 16.348 10.559 1.00105.94 1SG 250 ATOM 250 CB THR 32 27.242 14.959 10.352 1.00105.94 1SG 251 ATOM 251 OG1 THR 32 28.506 15.000 9.705 1.00105.94 1SG 252 ATOM 252 CG2 THR 32 26.239 14.166 9.507 1.00105.94 1SG 253 ATOM 253 C THR 32 27.683 17.068 11.428 1.00105.94 1SG 254 ATOM 254 O THR 32 27.457 17.229 12.627 1.00105.94 1SG 255 ATOM 255 N ARG 33 28.803 17.536 10.840 1.00136.46 1SG 256 ATOM 256 CA ARG 33 29.805 18.147 11.661 1.00136.46 1SG 257 ATOM 257 CB ARG 33 31.190 18.288 11.005 1.00136.46 1SG 258 ATOM 258 CG ARG 33 32.161 19.112 11.859 1.00136.46 1SG 259 ATOM 259 CD ARG 33 32.572 18.407 13.152 1.00136.46 1SG 260 ATOM 260 NE ARG 33 33.421 19.335 13.952 1.00136.46 1SG 261 ATOM 261 CZ ARG 33 33.233 19.383 15.303 1.00136.46 1SG 262 ATOM 262 NH1 ARG 33 32.244 18.628 15.864 1.00136.46 1SG 263 ATOM 263 NH2 ARG 33 34.020 20.172 16.092 1.00136.46 1SG 264 ATOM 264 C ARG 33 29.374 19.508 12.053 1.00136.46 1SG 265 ATOM 265 O ARG 33 28.829 20.266 11.253 1.00136.46 1SG 266 ATOM 266 N HIS 34 29.590 19.831 13.338 1.00186.09 1SG 267 ATOM 267 CA HIS 34 29.288 21.144 13.790 1.00186.09 1SG 268 ATOM 268 ND1 HIS 34 27.274 22.277 12.027 1.00186.09 1SG 269 ATOM 269 CG HIS 34 26.863 21.653 13.182 1.00186.09 1SG 270 ATOM 270 CB HIS 34 27.832 21.326 14.297 1.00186.09 1SG 271 ATOM 271 NE2 HIS 34 25.072 22.058 11.860 1.00186.09 1SG 272 ATOM 272 CD2 HIS 34 25.508 21.528 13.065 1.00186.09 1SG 273 ATOM 273 CE1 HIS 34 26.169 22.493 11.272 1.00186.09 1SG 274 ATOM 274 C HIS 34 30.266 21.512 14.863 1.00186.09 1SG 275 ATOM 275 O HIS 34 30.063 21.224 16.042 1.00186.09 1SG 276 ATOM 276 N ARG 35 31.382 22.150 14.455 1.00284.70 1SG 277 ATOM 277 CA ARG 35 32.309 22.709 15.396 1.00284.70 1SG 278 ATOM 278 CB ARG 35 33.761 22.798 14.868 1.00284.70 1SG 279 ATOM 279 CG ARG 35 34.613 23.846 15.601 1.00284.70 1SG 280 ATOM 280 CD ARG 35 34.640 25.186 14.851 1.00284.70 1SG 281 ATOM 281 NE ARG 35 35.056 26.278 15.775 1.00284.70 1SG 282 ATOM 282 CZ ARG 35 36.370 26.626 15.867 1.00284.70 1SG 283 ATOM 283 NH1 ARG 35 37.300 25.933 15.149 1.00284.70 1SG 284 ATOM 284 NH2 ARG 35 36.753 27.665 16.666 1.00284.70 1SG 285 ATOM 285 C ARG 35 31.816 24.104 15.534 1.00284.70 1SG 286 ATOM 286 O ARG 35 31.948 24.862 14.571 1.00284.70 1SG 287 ATOM 287 N GLY 36 31.250 24.466 16.721 1.00 91.12 1SG 288 ATOM 288 CA GLY 36 30.609 25.751 16.862 1.00 91.12 1SG 289 ATOM 289 C GLY 36 29.666 25.691 15.720 1.00 91.12 1SG 290 ATOM 290 O GLY 36 29.904 26.409 14.749 1.00 91.12 1SG 291 ATOM 291 N PRO 37 28.558 24.998 15.909 1.00210.08 1SG 292 ATOM 292 CA PRO 37 27.956 24.244 14.828 1.00210.08 1SG 293 ATOM 293 CD PRO 37 27.528 25.645 16.709 1.00210.08 1SG 294 ATOM 294 CB PRO 37 26.440 24.305 15.024 1.00210.08 1SG 295 ATOM 295 CG PRO 37 26.237 25.563 15.877 1.00210.08 1SG 296 ATOM 296 C PRO 37 28.408 24.601 13.463 1.00210.08 1SG 297 ATOM 297 O PRO 37 29.247 23.867 12.948 1.00210.08 1SG 298 ATOM 298 N LEU 38 27.945 25.695 12.861 1.00 97.50 1SG 299 ATOM 299 CA LEU 38 28.601 26.099 11.660 1.00 97.50 1SG 300 ATOM 300 CB LEU 38 28.200 25.369 10.364 1.00 97.50 1SG 301 ATOM 301 CG LEU 38 28.861 23.976 10.245 1.00 97.50 1SG 302 ATOM 302 CD2 LEU 38 30.386 24.063 10.449 1.00 97.50 1SG 303 ATOM 303 CD1 LEU 38 28.488 23.281 8.933 1.00 97.50 1SG 304 ATOM 304 C LEU 38 28.367 27.555 11.576 1.00 97.50 1SG 305 ATOM 305 O LEU 38 27.434 28.053 12.205 1.00 97.50 1SG 306 ATOM 306 N GLY 39 29.236 28.277 10.843 1.00 54.71 1SG 307 ATOM 307 CA GLY 39 29.094 29.700 10.792 1.00 54.71 1SG 308 ATOM 308 C GLY 39 27.720 29.985 10.302 1.00 54.71 1SG 309 ATOM 309 O GLY 39 27.402 29.796 9.129 1.00 54.71 1SG 310 ATOM 310 N ILE 40 26.863 30.446 11.227 1.00150.98 1SG 311 ATOM 311 CA ILE 40 25.530 30.777 10.853 1.00150.98 1SG 312 ATOM 312 CB ILE 40 24.524 29.990 11.666 1.00150.98 1SG 313 ATOM 313 CG2 ILE 40 24.811 30.172 13.167 1.00150.98 1SG 314 ATOM 314 CG1 ILE 40 23.089 30.283 11.214 1.00150.98 1SG 315 ATOM 315 CD1 ILE 40 22.763 29.666 9.855 1.00150.98 1SG 316 ATOM 316 C ILE 40 25.381 32.254 11.077 1.00150.98 1SG 317 ATOM 317 O ILE 40 25.071 32.706 12.178 1.00150.98 1SG 318 ATOM 318 N VAL 41 25.623 33.060 10.020 1.00 96.68 1SG 319 ATOM 319 CA VAL 41 25.479 34.485 10.154 1.00 96.68 1SG 320 ATOM 320 CB VAL 41 26.703 35.190 10.678 1.00 96.68 1SG 321 ATOM 321 CG1 VAL 41 26.908 34.785 12.147 1.00 96.68 1SG 322 ATOM 322 CG2 VAL 41 27.904 34.866 9.773 1.00 96.68 1SG 323 ATOM 323 C VAL 41 25.131 35.077 8.820 1.00 96.68 1SG 324 ATOM 324 O VAL 41 25.522 34.558 7.775 1.00 96.68 1SG 325 ATOM 325 N SER 42 24.389 36.210 8.844 1.00 84.60 1SG 326 ATOM 326 CA SER 42 23.898 36.850 7.650 1.00 84.60 1SG 327 ATOM 327 CB SER 42 22.714 37.809 7.883 1.00 84.60 1SG 328 ATOM 328 OG SER 42 22.290 38.356 6.642 1.00 84.60 1SG 329 ATOM 329 C SER 42 24.988 37.632 6.983 1.00 84.60 1SG 330 ATOM 330 O SER 42 26.004 37.968 7.590 1.00 84.60 1SG 331 ATOM 331 N GLY 43 24.769 37.956 5.690 1.00 59.76 1SG 332 ATOM 332 CA GLY 43 25.745 38.613 4.867 1.00 59.76 1SG 333 ATOM 333 C GLY 43 26.105 37.561 3.878 1.00 59.76 1SG 334 ATOM 334 O GLY 43 25.255 37.071 3.137 1.00 59.76 1SG 335 ATOM 335 N GLY 44 27.394 37.199 3.828 1.00104.86 1SG 336 ATOM 336 CA GLY 44 27.751 36.013 3.117 1.00104.86 1SG 337 ATOM 337 C GLY 44 27.602 35.043 4.236 1.00104.86 1SG 338 ATOM 338 O GLY 44 26.585 35.086 4.927 1.00104.86 1SG 339 ATOM 339 N ARG 45 28.572 34.128 4.441 1.00244.58 1SG 340 ATOM 340 CA ARG 45 28.519 33.381 5.669 1.00244.58 1SG 341 ATOM 341 CB ARG 45 28.351 34.328 6.871 1.00244.58 1SG 342 ATOM 342 CG ARG 45 29.157 35.602 6.660 1.00244.58 1SG 343 ATOM 343 CD ARG 45 28.480 36.892 7.119 1.00244.58 1SG 344 ATOM 344 NE ARG 45 29.075 37.985 6.298 1.00244.58 1SG 345 ATOM 345 CZ ARG 45 28.853 39.300 6.597 1.00244.58 1SG 346 ATOM 346 NH1 ARG 45 28.117 39.645 7.694 1.00244.58 1SG 347 ATOM 347 NH2 ARG 45 29.363 40.276 5.791 1.00244.58 1SG 348 ATOM 348 C ARG 45 27.282 32.548 5.644 1.00244.58 1SG 349 ATOM 349 O ARG 45 26.575 32.518 4.638 1.00244.58 1SG 350 ATOM 350 N LEU 46 27.040 31.821 6.757 1.00204.48 1SG 351 ATOM 351 CA LEU 46 25.801 31.140 7.026 1.00204.48 1SG 352 ATOM 352 CB LEU 46 24.577 31.788 6.349 1.00204.48 1SG 353 ATOM 353 CG LEU 46 23.215 31.383 6.939 1.00204.48 1SG 354 ATOM 354 CD2 LEU 46 22.082 31.552 5.916 1.00204.48 1SG 355 ATOM 355 CD1 LEU 46 22.948 32.130 8.259 1.00204.48 1SG 356 ATOM 356 C LEU 46 25.904 29.708 6.608 1.00204.48 1SG 357 ATOM 357 O LEU 46 26.530 29.381 5.601 1.00204.48 1SG 358 ATOM 358 N ILE 47 25.276 28.812 7.398 1.00156.97 1SG 359 ATOM 359 CA ILE 47 25.353 27.399 7.159 1.00156.97 1SG 360 ATOM 360 CB ILE 47 26.357 26.761 8.055 1.00156.97 1SG 361 ATOM 361 CG2 ILE 47 25.810 26.848 9.487 1.00156.97 1SG 362 ATOM 362 CG1 ILE 47 26.691 25.353 7.566 1.00156.97 1SG 363 ATOM 363 CD1 ILE 47 27.449 25.389 6.247 1.00156.97 1SG 364 ATOM 364 C ILE 47 24.018 26.793 7.468 1.00156.97 1SG 365 ATOM 365 O ILE 47 23.092 27.484 7.890 1.00156.97 1SG 366 ATOM 366 N GLY 48 23.865 25.474 7.227 1.00 37.20 1SG 367 ATOM 367 CA GLY 48 22.606 24.884 7.566 1.00 37.20 1SG 368 ATOM 368 C GLY 48 22.312 23.761 6.631 1.00 37.20 1SG 369 ATOM 369 O GLY 48 23.210 23.155 6.048 1.00 37.20 1SG 370 ATOM 370 N GLN 49 21.006 23.467 6.493 1.00 86.46 1SG 371 ATOM 371 CA GLN 49 20.500 22.407 5.676 1.00 86.46 1SG 372 ATOM 372 CB GLN 49 19.009 22.135 5.954 1.00 86.46 1SG 373 ATOM 373 CG GLN 49 18.395 21.012 5.119 1.00 86.46 1SG 374 ATOM 374 CD GLN 49 16.931 20.881 5.519 1.00 86.46 1SG 375 ATOM 375 OE1 GLN 49 16.196 20.059 4.974 1.00 86.46 1SG 376 ATOM 376 NE2 GLN 49 16.490 21.719 6.496 1.00 86.46 1SG 377 ATOM 377 C GLN 49 20.651 22.817 4.245 1.00 86.46 1SG 378 ATOM 378 O GLN 49 20.549 23.996 3.910 1.00 86.46 1SG 379 ATOM 379 N ALA 50 20.924 21.833 3.364 1.00 34.02 1SG 380 ATOM 380 CA ALA 50 21.109 22.097 1.966 1.00 34.02 1SG 381 ATOM 381 CB ALA 50 22.583 22.196 1.544 1.00 34.02 1SG 382 ATOM 382 C ALA 50 20.515 20.941 1.233 1.00 34.02 1SG 383 ATOM 383 O ALA 50 20.134 19.949 1.853 1.00 34.02 1SG 384 ATOM 384 N ASP 51 20.392 21.048 -0.109 1.00 64.69 1SG 385 ATOM 385 CA ASP 51 19.762 19.987 -0.853 1.00 64.69 1SG 386 ATOM 386 CB ASP 51 18.598 20.480 -1.723 1.00 64.69 1SG 387 ATOM 387 CG ASP 51 17.515 21.023 -0.806 1.00 64.69 1SG 388 ATOM 388 OD1 ASP 51 17.544 20.686 0.407 1.00 64.69 1SG 389 ATOM 389 OD2 ASP 51 16.650 21.791 -1.306 1.00 64.69 1SG 390 ATOM 390 C ASP 51 20.737 19.368 -1.809 1.00 64.69 1SG 391 ATOM 391 O ASP 51 21.069 19.984 -2.822 1.00 64.69 1SG 392 ATOM 392 N LEU 52 21.136 18.095 -1.556 1.00149.60 1SG 393 ATOM 393 CA LEU 52 22.164 17.422 -2.309 1.00149.60 1SG 394 ATOM 394 CB LEU 52 22.493 15.975 -1.894 1.00149.60 1SG 395 ATOM 395 CG LEU 52 23.617 15.399 -2.786 1.00149.60 1SG 396 ATOM 396 CD2 LEU 52 23.745 13.875 -2.692 1.00149.60 1SG 397 ATOM 397 CD1 LEU 52 24.949 16.111 -2.516 1.00149.60 1SG 398 ATOM 398 C LEU 52 21.827 17.345 -3.744 1.00149.60 1SG 399 ATOM 399 O LEU 52 20.672 17.209 -4.143 1.00149.60 1SG 400 ATOM 400 N VAL 53 22.887 17.471 -4.559 1.00 38.42 1SG 401 ATOM 401 CA VAL 53 22.740 17.355 -5.964 1.00 38.42 1SG 402 ATOM 402 CB VAL 53 22.661 18.681 -6.642 1.00 38.42 1SG 403 ATOM 403 CG1 VAL 53 22.542 18.416 -8.140 1.00 38.42 1SG 404 ATOM 404 CG2 VAL 53 21.482 19.473 -6.048 1.00 38.42 1SG 405 ATOM 405 C VAL 53 23.953 16.638 -6.458 1.00 38.42 1SG 406 ATOM 406 O VAL 53 25.004 16.658 -5.818 1.00 38.42 1SG 407 ATOM 407 N GLY 54 23.827 15.954 -7.610 1.00 17.18 1SG 408 ATOM 408 CA GLY 54 24.958 15.262 -8.146 1.00 17.18 1SG 409 ATOM 409 C GLY 54 25.367 16.013 -9.365 1.00 17.18 1SG 410 ATOM 410 O GLY 54 24.520 16.477 -10.128 1.00 17.18 1SG 411 ATOM 411 N VAL 55 26.689 16.155 -9.586 1.00 96.30 1SG 412 ATOM 412 CA VAL 55 27.113 16.896 -10.735 1.00 96.30 1SG 413 ATOM 413 CB VAL 55 27.487 18.317 -10.437 1.00 96.30 1SG 414 ATOM 414 CG1 VAL 55 26.253 19.041 -9.886 1.00 96.30 1SG 415 ATOM 415 CG2 VAL 55 28.698 18.332 -9.490 1.00 96.30 1SG 416 ATOM 416 C VAL 55 28.338 16.265 -11.305 1.00 96.30 1SG 417 ATOM 417 O VAL 55 29.019 15.471 -10.657 1.00 96.30 1SG 418 ATOM 418 N GLU 56 28.615 16.603 -12.577 1.00103.63 1SG 419 ATOM 419 CA GLU 56 29.802 16.175 -13.249 1.00103.63 1SG 420 ATOM 420 CB GLU 56 29.660 16.229 -14.782 1.00103.63 1SG 421 ATOM 421 CG GLU 56 29.216 17.571 -15.357 1.00103.63 1SG 422 ATOM 422 CD GLU 56 28.817 17.281 -16.796 1.00103.63 1SG 423 ATOM 423 OE1 GLU 56 29.039 16.119 -17.232 1.00103.63 1SG 424 ATOM 424 OE2 GLU 56 28.280 18.197 -17.473 1.00103.63 1SG 425 ATOM 425 C GLU 56 30.881 17.102 -12.795 1.00103.63 1SG 426 ATOM 426 O GLU 56 30.602 18.225 -12.383 1.00103.63 1SG 427 ATOM 427 N GLY 57 32.153 16.667 -12.817 1.00107.88 1SG 428 ATOM 428 CA GLY 57 33.148 17.571 -12.317 1.00107.88 1SG 429 ATOM 429 C GLY 57 34.414 17.368 -13.079 1.00107.88 1SG 430 ATOM 430 O GLY 57 34.529 16.490 -13.926 1.00107.88 1SG 431 ATOM 431 N PRO 58 35.379 18.185 -12.798 1.00113.45 1SG 432 ATOM 432 CA PRO 58 36.620 18.055 -13.494 1.00113.45 1SG 433 ATOM 433 CD PRO 58 35.092 19.572 -12.535 1.00113.45 1SG 434 ATOM 434 CB PRO 58 37.353 19.392 -13.343 1.00113.45 1SG 435 ATOM 435 CG PRO 58 36.476 20.213 -12.383 1.00113.45 1SG 436 ATOM 436 C PRO 58 37.413 16.875 -13.063 1.00113.45 1SG 437 ATOM 437 O PRO 58 37.345 16.471 -11.904 1.00113.45 1SG 438 ATOM 438 N PHE 59 38.159 16.316 -14.025 1.00278.60 1SG 439 ATOM 439 CA PHE 59 39.040 15.201 -13.895 1.00278.60 1SG 440 ATOM 440 CB PHE 59 38.280 13.856 -13.720 1.00278.60 1SG 441 ATOM 441 CG PHE 59 39.257 12.744 -13.494 1.00278.60 1SG 442 ATOM 442 CD1 PHE 59 39.870 12.593 -12.272 1.00278.60 1SG 443 ATOM 443 CD2 PHE 59 39.532 11.823 -14.483 1.00278.60 1SG 444 ATOM 444 CE1 PHE 59 40.774 11.575 -12.073 1.00278.60 1SG 445 ATOM 445 CE2 PHE 59 40.435 10.808 -14.293 1.00278.60 1SG 446 ATOM 446 CZ PHE 59 41.065 10.687 -13.081 1.00278.60 1SG 447 ATOM 447 C PHE 59 39.689 15.243 -15.237 1.00278.60 1SG 448 ATOM 448 O PHE 59 39.606 16.262 -15.919 1.00278.60 1SG 449 ATOM 449 N SER 60 40.392 14.187 -15.658 1.00148.04 1SG 450 ATOM 450 CA SER 60 40.779 14.166 -17.030 1.00148.04 1SG 451 ATOM 451 CB SER 60 41.835 13.075 -17.302 1.00148.04 1SG 452 ATOM 452 OG SER 60 42.256 13.109 -18.658 1.00148.04 1SG 453 ATOM 453 C SER 60 39.503 13.766 -17.724 1.00148.04 1SG 454 ATOM 454 O SER 60 39.401 12.670 -18.275 1.00148.04 1SG 455 ATOM 455 N VAL 61 38.494 14.673 -17.717 1.00157.89 1SG 456 ATOM 456 CA VAL 61 37.203 14.367 -18.261 1.00157.89 1SG 457 ATOM 457 CB VAL 61 36.706 12.978 -17.891 1.00157.89 1SG 458 ATOM 458 CG1 VAL 61 36.760 12.782 -16.374 1.00157.89 1SG 459 ATOM 459 CG2 VAL 61 35.352 12.692 -18.563 1.00157.89 1SG 460 ATOM 460 C VAL 61 36.225 15.500 -17.989 1.00157.89 1SG 461 ATOM 461 O VAL 61 36.508 16.647 -18.332 1.00157.89 1SG 462 ATOM 462 N GLU 62 35.049 15.224 -17.367 1.00250.60 1SG 463 ATOM 463 CA GLU 62 33.952 16.171 -17.351 1.00250.60 1SG 464 ATOM 464 CB GLU 62 32.680 15.562 -16.731 1.00250.60 1SG 465 ATOM 465 CG GLU 62 32.940 14.849 -15.407 1.00250.60 1SG 466 ATOM 466 CD GLU 62 31.688 14.117 -14.979 1.00250.60 1SG 467 ATOM 467 OE1 GLU 62 30.934 13.667 -15.882 1.00250.60 1SG 468 ATOM 468 OE2 GLU 62 31.461 14.008 -13.745 1.00250.60 1SG 469 ATOM 469 C GLU 62 34.212 17.547 -16.780 1.00250.60 1SG 470 ATOM 470 O GLU 62 35.153 17.821 -16.037 1.00250.60 1SG 471 ATOM 471 N GLU 63 33.287 18.444 -17.199 1.00113.05 1SG 472 ATOM 472 CA GLU 63 33.184 19.881 -17.088 1.00113.05 1SG 473 ATOM 473 CB GLU 63 32.240 20.371 -18.196 1.00113.05 1SG 474 ATOM 474 CG GLU 63 32.004 21.875 -18.274 1.00113.05 1SG 475 ATOM 475 CD GLU 63 30.826 22.055 -19.222 1.00113.05 1SG 476 ATOM 476 OE1 GLU 63 30.307 21.017 -19.715 1.00113.05 1SG 477 ATOM 477 OE2 GLU 63 30.423 23.224 -19.459 1.00113.05 1SG 478 ATOM 478 C GLU 63 32.707 20.536 -15.809 1.00113.05 1SG 479 ATOM 479 O GLU 63 33.321 21.492 -15.335 1.00113.05 1SG 480 ATOM 480 N LEU 64 31.614 20.037 -15.204 1.00 81.58 1SG 481 ATOM 481 CA LEU 64 30.844 20.850 -14.283 1.00 81.58 1SG 482 ATOM 482 CB LEU 64 29.500 20.211 -13.910 1.00 81.58 1SG 483 ATOM 483 CG LEU 64 28.651 21.134 -13.021 1.00 81.58 1SG 484 ATOM 484 CD2 LEU 64 27.402 20.420 -12.495 1.00 81.58 1SG 485 ATOM 485 CD1 LEU 64 28.305 22.433 -13.765 1.00 81.58 1SG 486 ATOM 486 C LEU 64 31.483 21.323 -13.003 1.00 81.58 1SG 487 ATOM 487 O LEU 64 31.341 22.497 -12.661 1.00 81.58 1SG 488 ATOM 488 N LEU 65 32.217 20.481 -12.257 1.00 64.98 1SG 489 ATOM 489 CA LEU 65 32.612 20.901 -10.932 1.00 64.98 1SG 490 ATOM 490 CB LEU 65 33.316 19.802 -10.110 1.00 64.98 1SG 491 ATOM 491 CG LEU 65 33.746 20.232 -8.693 1.00 64.98 1SG 492 ATOM 492 CD2 LEU 65 34.642 19.162 -8.051 1.00 64.98 1SG 493 ATOM 493 CD1 LEU 65 32.539 20.594 -7.813 1.00 64.98 1SG 494 ATOM 494 C LEU 65 33.484 22.121 -10.944 1.00 64.98 1SG 495 ATOM 495 O LEU 65 33.419 22.935 -10.024 1.00 64.98 1SG 496 ATOM 496 N ALA 66 34.316 22.293 -11.983 1.00 43.29 1SG 497 ATOM 497 CA ALA 66 35.272 23.359 -12.049 1.00 43.29 1SG 498 ATOM 498 CB ALA 66 36.098 23.338 -13.346 1.00 43.29 1SG 499 ATOM 499 C ALA 66 34.553 24.664 -11.993 1.00 43.29 1SG 500 ATOM 500 O ALA 66 35.052 25.635 -11.427 1.00 43.29 1SG 501 ATOM 501 N HIS 67 33.343 24.712 -12.569 1.00 62.53 1SG 502 ATOM 502 CA HIS 67 32.596 25.929 -12.675 1.00 62.53 1SG 503 ATOM 503 ND1 HIS 67 30.361 27.581 -14.674 1.00 62.53 1SG 504 ATOM 504 CG HIS 67 30.306 26.813 -13.532 1.00 62.53 1SG 505 ATOM 505 CB HIS 67 31.196 25.634 -13.259 1.00 62.53 1SG 506 ATOM 506 NE2 HIS 67 28.694 28.390 -13.445 1.00 62.53 1SG 507 ATOM 507 CD2 HIS 67 29.283 27.322 -12.792 1.00 62.53 1SG 508 ATOM 508 CE1 HIS 67 29.375 28.508 -14.571 1.00 62.53 1SG 509 ATOM 509 C HIS 67 32.436 26.557 -11.315 1.00 62.53 1SG 510 ATOM 510 O HIS 67 32.685 27.750 -11.148 1.00 62.53 1SG 511 ATOM 511 N GLN 68 32.041 25.764 -10.302 1.00103.49 1SG 512 ATOM 512 CA GLN 68 31.746 26.245 -8.972 1.00103.49 1SG 513 ATOM 513 CB GLN 68 30.967 25.187 -8.171 1.00103.49 1SG 514 ATOM 514 CG GLN 68 29.578 24.981 -8.790 1.00103.49 1SG 515 ATOM 515 CD GLN 68 28.894 23.757 -8.199 1.00103.49 1SG 516 ATOM 516 OE1 GLN 68 27.667 23.686 -8.156 1.00103.49 1SG 517 ATOM 517 NE2 GLN 68 29.703 22.757 -7.758 1.00103.49 1SG 518 ATOM 518 C GLN 68 32.950 26.744 -8.199 1.00103.49 1SG 519 ATOM 519 O GLN 68 32.857 27.699 -7.424 1.00103.49 1SG 520 ATOM 520 N GLU 69 34.128 26.126 -8.375 1.00 83.45 1SG 521 ATOM 521 CA GLU 69 35.274 26.526 -7.597 1.00 83.45 1SG 522 ATOM 522 CB GLU 69 36.509 25.700 -7.986 1.00 83.45 1SG 523 ATOM 523 CG GLU 69 36.317 24.214 -7.665 1.00 83.45 1SG 524 ATOM 524 CD GLU 69 37.304 23.398 -8.486 1.00 83.45 1SG 525 ATOM 525 OE1 GLU 69 38.108 24.014 -9.235 1.00 83.45 1SG 526 ATOM 526 OE2 GLU 69 37.258 22.144 -8.379 1.00 83.45 1SG 527 ATOM 527 C GLU 69 35.544 27.974 -7.882 1.00 83.45 1SG 528 ATOM 528 O GLU 69 35.926 28.743 -6.996 1.00 83.45 1SG 529 ATOM 529 N LYS 70 35.362 28.344 -9.161 1.00111.89 1SG 530 ATOM 530 CA LYS 70 35.517 29.664 -9.701 1.00111.89 1SG 531 ATOM 531 CB LYS 70 35.266 29.628 -11.221 1.00111.89 1SG 532 ATOM 532 CG LYS 70 35.376 30.956 -11.970 1.00111.89 1SG 533 ATOM 533 CD LYS 70 35.220 30.772 -13.484 1.00111.89 1SG 534 ATOM 534 CE LYS 70 35.154 32.077 -14.281 1.00111.89 1SG 535 ATOM 535 NZ LYS 70 34.971 31.778 -15.720 1.00111.89 1SG 536 ATOM 536 C LYS 70 34.489 30.601 -9.130 1.00111.89 1SG 537 ATOM 537 O LYS 70 34.824 31.684 -8.649 1.00111.89 1SG 538 ATOM 538 N HIS 71 33.212 30.167 -9.125 1.00 53.11 1SG 539 ATOM 539 CA HIS 71 32.088 31.009 -8.808 1.00 53.11 1SG 540 ATOM 540 ND1 HIS 71 28.938 31.853 -9.811 1.00 53.11 1SG 541 ATOM 541 CG HIS 71 29.536 31.162 -8.780 1.00 53.11 1SG 542 ATOM 542 CB HIS 71 30.738 30.273 -8.944 1.00 53.11 1SG 543 ATOM 543 NE2 HIS 71 27.770 32.317 -7.976 1.00 53.11 1SG 544 ATOM 544 CD2 HIS 71 28.810 31.458 -7.667 1.00 53.11 1SG 545 ATOM 545 CE1 HIS 71 27.887 32.525 -9.275 1.00 53.11 1SG 546 ATOM 546 C HIS 71 32.166 31.548 -7.418 1.00 53.11 1SG 547 ATOM 547 O HIS 71 31.900 32.727 -7.188 1.00 53.11 1SG 548 ATOM 548 N LEU 72 32.560 30.715 -6.446 1.00145.92 1SG 549 ATOM 549 CA LEU 72 32.552 31.171 -5.089 1.00145.92 1SG 550 ATOM 550 CB LEU 72 32.852 30.062 -4.067 1.00145.92 1SG 551 ATOM 551 CG LEU 72 31.665 29.086 -3.908 1.00145.92 1SG 552 ATOM 552 CD2 LEU 72 31.858 28.151 -2.705 1.00145.92 1SG 553 ATOM 553 CD1 LEU 72 31.364 28.331 -5.212 1.00145.92 1SG 554 ATOM 554 C LEU 72 33.491 32.322 -4.923 1.00145.92 1SG 555 ATOM 555 O LEU 72 33.261 33.183 -4.074 1.00145.92 1SG 556 ATOM 556 N ALA 73 34.588 32.361 -5.700 1.00246.20 1SG 557 ATOM 557 CA ALA 73 35.518 33.445 -5.569 1.00246.20 1SG 558 ATOM 558 CB ALA 73 34.896 34.854 -5.485 1.00246.20 1SG 559 ATOM 559 C ALA 73 36.304 33.140 -4.345 1.00246.20 1SG 560 ATOM 560 O ALA 73 35.913 32.275 -3.562 1.00246.20 1SG 561 ATOM 561 N GLU 74 37.448 33.822 -4.149 1.00321.56 1SG 562 ATOM 562 CA GLU 74 38.261 33.363 -3.068 1.00321.56 1SG 563 ATOM 563 CB GLU 74 38.877 32.024 -3.536 1.00321.56 1SG 564 ATOM 564 CG GLU 74 40.048 31.430 -2.762 1.00321.56 1SG 565 ATOM 565 CD GLU 74 39.531 30.648 -1.568 1.00321.56 1SG 566 ATOM 566 OE1 GLU 74 38.910 31.268 -0.667 1.00321.56 1SG 567 ATOM 567 OE2 GLU 74 39.758 29.410 -1.539 1.00321.56 1SG 568 ATOM 568 C GLU 74 39.346 34.369 -2.780 1.00321.56 1SG 569 ATOM 569 O GLU 74 40.321 34.459 -3.522 1.00321.56 1SG 570 ATOM 570 N GLU 75 39.211 35.163 -1.692 1.00257.36 1SG 571 ATOM 571 CA GLU 75 40.291 36.034 -1.296 1.00257.36 1SG 572 ATOM 572 CB GLU 75 40.326 37.428 -1.945 1.00257.36 1SG 573 ATOM 573 CG GLU 75 40.992 37.433 -3.320 1.00257.36 1SG 574 ATOM 574 CD GLU 75 41.462 38.853 -3.612 1.00257.36 1SG 575 ATOM 575 OE1 GLU 75 40.721 39.814 -3.273 1.00257.36 1SG 576 ATOM 576 OE2 GLU 75 42.575 38.992 -4.185 1.00257.36 1SG 577 ATOM 577 C GLU 75 40.248 36.262 0.182 1.00257.36 1SG 578 ATOM 578 O GLU 75 39.176 36.424 0.763 1.00257.36 1SG 579 ATOM 579 N ALA 76 41.432 36.272 0.835 1.00282.97 1SG 580 ATOM 580 CA ALA 76 41.468 36.498 2.254 1.00282.97 1SG 581 ATOM 581 CB ALA 76 41.331 35.218 3.096 1.00282.97 1SG 582 ATOM 582 C ALA 76 42.765 37.149 2.622 1.00282.97 1SG 583 ATOM 583 O ALA 76 43.725 37.114 1.854 1.00282.97 1SG 584 ATOM 584 N PHE 77 42.804 37.803 3.805 1.00335.46 1SG 585 ATOM 585 CA PHE 77 44.006 38.445 4.263 1.00335.46 1SG 586 ATOM 586 CB PHE 77 44.211 39.850 3.655 1.00335.46 1SG 587 ATOM 587 CG PHE 77 45.478 40.383 4.224 1.00335.46 1SG 588 ATOM 588 CD1 PHE 77 46.706 40.003 3.734 1.00335.46 1SG 589 ATOM 589 CD2 PHE 77 45.421 41.261 5.280 1.00335.46 1SG 590 ATOM 590 CE1 PHE 77 47.861 40.504 4.288 1.00335.46 1SG 591 ATOM 591 CE2 PHE 77 46.570 41.763 5.836 1.00335.46 1SG 592 ATOM 592 CZ PHE 77 47.794 41.385 5.341 1.00335.46 1SG 593 ATOM 593 C PHE 77 43.947 38.579 5.762 1.00335.46 1SG 594 ATOM 594 O PHE 77 42.867 38.570 6.351 1.00335.46 1SG 595 ATOM 595 N LEU 78 45.129 38.670 6.418 1.00370.94 1SG 596 ATOM 596 CA LEU 78 45.228 38.843 7.842 1.00370.94 1SG 597 ATOM 597 CB LEU 78 45.408 37.510 8.589 1.00370.94 1SG 598 ATOM 598 CG LEU 78 45.540 37.643 10.117 1.00370.94 1SG 599 ATOM 599 CD2 LEU 78 45.965 36.309 10.751 1.00370.94 1SG 600 ATOM 600 CD1 LEU 78 44.259 38.204 10.748 1.00370.94 1SG 601 ATOM 601 C LEU 78 46.454 39.658 8.136 1.00370.94 1SG 602 ATOM 602 O LEU 78 47.463 39.541 7.442 1.00370.94 1SG 603 ATOM 603 N ARG 79 46.395 40.527 9.170 1.00358.02 1SG 604 ATOM 604 CA ARG 79 47.579 41.240 9.565 1.00358.02 1SG 605 ATOM 605 CB ARG 79 47.689 42.719 9.164 1.00358.02 1SG 606 ATOM 606 CG ARG 79 48.408 42.911 7.829 1.00358.02 1SG 607 ATOM 607 CD ARG 79 49.429 44.056 7.842 1.00358.02 1SG 608 ATOM 608 NE ARG 79 50.617 43.608 8.630 1.00358.02 1SG 609 ATOM 609 CZ ARG 79 51.743 44.383 8.684 1.00358.02 1SG 610 ATOM 610 NH1 ARG 79 51.797 45.567 8.008 1.00358.02 1SG 611 ATOM 611 NH2 ARG 79 52.820 43.976 9.418 1.00358.02 1SG 612 ATOM 612 C ARG 79 47.749 41.184 11.043 1.00358.02 1SG 613 ATOM 613 O ARG 79 46.808 40.940 11.797 1.00358.02 1SG 614 ATOM 614 N ALA 80 49.013 41.395 11.454 1.00331.94 1SG 615 ATOM 615 CA ALA 80 49.516 41.347 12.792 1.00331.94 1SG 616 ATOM 616 CB ALA 80 48.625 40.627 13.818 1.00331.94 1SG 617 ATOM 617 C ALA 80 50.730 40.526 12.587 1.00331.94 1SG 618 ATOM 618 O ALA 80 51.203 40.416 11.457 1.00331.94 1SG 619 ATOM 619 N TYR 81 51.302 39.924 13.633 1.00291.97 1SG 620 ATOM 620 CA TYR 81 52.385 39.103 13.209 1.00291.97 1SG 621 ATOM 621 CB TYR 81 53.417 38.851 14.332 1.00291.97 1SG 622 ATOM 622 CG TYR 81 53.987 40.190 14.698 1.00291.97 1SG 623 ATOM 623 CD1 TYR 81 54.965 40.775 13.923 1.00291.97 1SG 624 ATOM 624 CD2 TYR 81 53.549 40.868 15.815 1.00291.97 1SG 625 ATOM 625 CE1 TYR 81 55.489 42.006 14.251 1.00291.97 1SG 626 ATOM 626 CE2 TYR 81 54.068 42.099 16.148 1.00291.97 1SG 627 ATOM 627 CZ TYR 81 55.040 42.674 15.365 1.00291.97 1SG 628 ATOM 628 OH TYR 81 55.575 43.936 15.702 1.00291.97 1SG 629 ATOM 629 C TYR 81 51.710 37.824 12.797 1.00291.97 1SG 630 ATOM 630 O TYR 81 51.601 36.883 13.581 1.00291.97 1SG 631 ATOM 631 N ALA 82 51.196 37.796 11.536 1.00313.02 1SG 632 ATOM 632 CA ALA 82 50.500 36.646 11.008 1.00313.02 1SG 633 ATOM 633 CB ALA 82 49.396 36.141 11.950 1.00313.02 1SG 634 ATOM 634 C ALA 82 49.831 37.010 9.699 1.00313.02 1SG 635 ATOM 635 O ALA 82 49.701 38.192 9.374 1.00313.02 1SG 636 ATOM 636 N LYS 83 49.399 35.988 8.904 1.00301.89 1SG 637 ATOM 637 CA LYS 83 48.705 36.250 7.664 1.00301.89 1SG 638 ATOM 638 CB LYS 83 49.607 36.735 6.517 1.00301.89 1SG 639 ATOM 639 CG LYS 83 49.809 38.248 6.613 1.00301.89 1SG 640 ATOM 640 CD LYS 83 50.988 38.803 5.818 1.00301.89 1SG 641 ATOM 641 CE LYS 83 52.110 39.327 6.715 1.00301.89 1SG 642 ATOM 642 NZ LYS 83 51.629 40.499 7.482 1.00301.89 1SG 643 ATOM 643 C LYS 83 47.840 35.102 7.186 1.00301.89 1SG 644 ATOM 644 O LYS 83 47.875 33.989 7.710 1.00301.89 1SG 645 ATOM 645 N ASP 84 47.028 35.419 6.146 1.00265.10 1SG 646 ATOM 646 CA ASP 84 45.997 34.687 5.469 1.00265.10 1SG 647 ATOM 647 CB ASP 84 45.153 35.654 4.619 1.00265.10 1SG 648 ATOM 648 CG ASP 84 46.123 36.409 3.705 1.00265.10 1SG 649 ATOM 649 OD1 ASP 84 46.977 37.179 4.223 1.00265.10 1SG 650 ATOM 650 OD2 ASP 84 46.020 36.233 2.464 1.00265.10 1SG 651 ATOM 651 C ASP 84 46.538 33.624 4.585 1.00265.10 1SG 652 ATOM 652 O ASP 84 47.733 33.566 4.314 1.00265.10 1SG 653 ATOM 653 N GLU 85 45.632 32.736 4.108 1.00286.28 1SG 654 ATOM 654 CA GLU 85 45.984 31.747 3.136 1.00286.28 1SG 655 ATOM 655 CB GLU 85 45.028 30.559 3.126 1.00286.28 1SG 656 ATOM 656 CG GLU 85 45.525 29.321 2.399 1.00286.28 1SG 657 ATOM 657 CD GLU 85 44.259 28.582 2.010 1.00286.28 1SG 658 ATOM 658 OE1 GLU 85 43.517 28.106 2.910 1.00286.28 1SG 659 ATOM 659 OE2 GLU 85 44.008 28.520 0.779 1.00286.28 1SG 660 ATOM 660 C GLU 85 45.758 32.535 1.913 1.00286.28 1SG 661 ATOM 661 O GLU 85 45.870 33.757 1.959 1.00286.28 1SG 662 ATOM 662 N PRO 86 45.509 31.950 0.796 1.00283.24 1SG 663 ATOM 663 CA PRO 86 44.758 32.764 -0.075 1.00283.24 1SG 664 ATOM 664 CD PRO 86 46.412 31.067 0.085 1.00283.24 1SG 665 ATOM 665 CB PRO 86 44.635 31.961 -1.356 1.00283.24 1SG 666 ATOM 666 CG PRO 86 45.993 31.221 -1.393 1.00283.24 1SG 667 ATOM 667 C PRO 86 43.569 32.942 0.797 1.00283.24 1SG 668 ATOM 668 O PRO 86 43.112 34.074 0.945 1.00283.24 1SG 669 ATOM 669 N LEU 87 43.078 31.845 1.420 1.00244.91 1SG 670 ATOM 670 CA LEU 87 42.019 32.017 2.366 1.00244.91 1SG 671 ATOM 671 CB LEU 87 40.647 32.143 1.700 1.00244.91 1SG 672 ATOM 672 CG LEU 87 40.479 33.341 0.750 1.00244.91 1SG 673 ATOM 673 CD2 LEU 87 39.008 33.649 0.677 1.00244.91 1SG 674 ATOM 674 CD1 LEU 87 41.076 33.172 -0.655 1.00244.91 1SG 675 ATOM 675 C LEU 87 41.947 30.824 3.289 1.00244.91 1SG 676 ATOM 676 O LEU 87 41.299 29.830 2.969 1.00244.91 1SG 677 ATOM 677 N TYR 88 42.596 30.894 4.473 1.00348.65 1SG 678 ATOM 678 CA TYR 88 42.509 29.857 5.473 1.00348.65 1SG 679 ATOM 679 CB TYR 88 43.838 29.186 5.875 1.00348.65 1SG 680 ATOM 680 CG TYR 88 43.519 28.091 6.847 1.00348.65 1SG 681 ATOM 681 CD1 TYR 88 43.175 26.845 6.376 1.00348.65 1SG 682 ATOM 682 CD2 TYR 88 43.555 28.294 8.211 1.00348.65 1SG 683 ATOM 683 CE1 TYR 88 42.879 25.820 7.240 1.00348.65 1SG 684 ATOM 684 CE2 TYR 88 43.258 27.270 9.085 1.00348.65 1SG 685 ATOM 685 CZ TYR 88 42.921 26.029 8.596 1.00348.65 1SG 686 ATOM 686 OH TYR 88 42.615 24.967 9.474 1.00348.65 1SG 687 ATOM 687 C TYR 88 42.107 30.653 6.646 1.00348.65 1SG 688 ATOM 688 O TYR 88 42.655 31.733 6.848 1.00348.65 1SG 689 ATOM 689 N ALA 89 41.159 30.210 7.481 1.00272.49 1SG 690 ATOM 690 CA ALA 89 40.872 31.322 8.318 1.00272.49 1SG 691 ATOM 691 CB ALA 89 39.645 32.112 7.849 1.00272.49 1SG 692 ATOM 692 C ALA 89 40.586 31.012 9.729 1.00272.49 1SG 693 ATOM 693 O ALA 89 39.763 30.163 10.066 1.00272.49 1SG 694 ATOM 694 N TRP 90 41.306 31.744 10.589 1.00281.45 1SG 695 ATOM 695 CA TRP 90 40.840 31.896 11.915 1.00281.45 1SG 696 ATOM 696 CB TRP 90 41.876 31.654 13.023 1.00281.45 1SG 697 ATOM 697 CG TRP 90 41.194 31.313 14.327 1.00281.45 1SG 698 ATOM 698 CD2 TRP 90 40.669 30.000 14.576 1.00281.45 1SG 699 ATOM 699 CD1 TRP 90 40.896 32.065 15.427 1.00281.45 1SG 700 ATOM 700 NE1 TRP 90 40.221 31.295 16.349 1.00281.45 1SG 701 ATOM 701 CE2 TRP 90 40.073 30.022 15.834 1.00281.45 1SG 702 ATOM 702 CE3 TRP 90 40.679 28.870 13.809 1.00281.45 1SG 703 ATOM 703 CZ2 TRP 90 39.474 28.906 16.348 1.00281.45 1SG 704 ATOM 704 CZ3 TRP 90 40.080 27.745 14.330 1.00281.45 1SG 705 ATOM 705 CH2 TRP 90 39.490 27.763 15.577 1.00281.45 1SG 706 ATOM 706 C TRP 90 40.571 33.358 11.794 1.00281.45 1SG 707 ATOM 707 O TRP 90 41.471 34.187 11.921 1.00281.45 1SG 708 ATOM 708 N VAL 91 39.304 33.693 11.504 1.00117.17 1SG 709 ATOM 709 CA VAL 91 38.915 35.015 11.108 1.00117.17 1SG 710 ATOM 710 CB VAL 91 39.100 36.062 12.168 1.00117.17 1SG 711 ATOM 711 CG1 VAL 91 38.702 37.420 11.565 1.00117.17 1SG 712 ATOM 712 CG2 VAL 91 38.292 35.676 13.416 1.00117.17 1SG 713 ATOM 713 C VAL 91 39.773 35.429 9.945 1.00117.17 1SG 714 ATOM 714 O VAL 91 40.837 36.021 10.131 1.00117.17 1SG 715 ATOM 715 N LEU 92 39.307 35.121 8.710 1.00264.50 1SG 716 ATOM 716 CA LEU 92 39.933 35.527 7.476 1.00264.50 1SG 717 ATOM 717 CB LEU 92 41.010 34.598 6.921 1.00264.50 1SG 718 ATOM 718 CG LEU 92 42.301 34.700 7.744 1.00264.50 1SG 719 ATOM 719 CD2 LEU 92 43.491 34.330 6.890 1.00264.50 1SG 720 ATOM 720 CD1 LEU 92 42.248 33.923 9.064 1.00264.50 1SG 721 ATOM 721 C LEU 92 38.861 35.746 6.456 1.00264.50 1SG 722 ATOM 722 O LEU 92 37.704 35.488 6.759 1.00264.50 1SG 723 ATOM 723 N GLU 93 39.210 36.241 5.243 1.00174.03 1SG 724 ATOM 724 CA GLU 93 38.271 36.748 4.261 1.00174.03 1SG 725 ATOM 725 CB GLU 93 38.954 37.658 3.212 1.00174.03 1SG 726 ATOM 726 CG GLU 93 38.004 38.534 2.381 1.00174.03 1SG 727 ATOM 727 CD GLU 93 38.810 39.597 1.623 1.00174.03 1SG 728 ATOM 728 OE1 GLU 93 39.549 40.374 2.287 1.00174.03 1SG 729 ATOM 729 OE2 GLU 93 38.688 39.652 0.370 1.00174.03 1SG 730 ATOM 730 C GLU 93 37.312 35.794 3.562 1.00174.03 1SG 731 ATOM 731 O GLU 93 36.125 36.116 3.511 1.00174.03 1SG 732 ATOM 732 N ASN 94 37.692 34.618 2.996 1.00261.74 1SG 733 ATOM 733 CA ASN 94 36.579 33.982 2.311 1.00261.74 1SG 734 ATOM 734 CB ASN 94 36.271 34.570 0.908 1.00261.74 1SG 735 ATOM 735 CG ASN 94 34.828 34.282 0.551 1.00261.74 1SG 736 ATOM 736 OD1 ASN 94 34.451 34.266 -0.619 1.00261.74 1SG 737 ATOM 737 ND2 ASN 94 34.003 34.021 1.600 1.00261.74 1SG 738 ATOM 738 C ASN 94 36.643 32.462 2.279 1.00261.74 1SG 739 ATOM 739 O ASN 94 37.368 31.824 3.034 1.00261.74 1SG 740 ATOM 740 N ALA 95 35.872 31.820 1.374 1.00103.27 1SG 741 ATOM 741 CA ALA 95 35.615 30.409 1.491 1.00103.27 1SG 742 ATOM 742 CB ALA 95 34.104 30.123 1.533 1.00103.27 1SG 743 ATOM 743 C ALA 95 36.212 29.563 0.406 1.00103.27 1SG 744 ATOM 744 O ALA 95 36.671 30.045 -0.629 1.00103.27 1SG 745 ATOM 745 N PHE 96 36.226 28.237 0.687 1.00 94.18 1SG 746 ATOM 746 CA PHE 96 36.729 27.169 -0.139 1.00 94.18 1SG 747 ATOM 747 CB PHE 96 37.791 26.280 0.513 1.00 94.18 1SG 748 ATOM 748 CG PHE 96 39.138 26.810 0.245 1.00 94.18 1SG 749 ATOM 749 CD1 PHE 96 39.709 27.782 1.028 1.00 94.18 1SG 750 ATOM 750 CD2 PHE 96 39.827 26.288 -0.822 1.00 94.18 1SG 751 ATOM 751 CE1 PHE 96 40.972 28.232 0.730 1.00 94.18 1SG 752 ATOM 752 CE2 PHE 96 41.086 26.733 -1.124 1.00 94.18 1SG 753 ATOM 753 CZ PHE 96 41.653 27.705 -0.342 1.00 94.18 1SG 754 ATOM 754 C PHE 96 35.649 26.169 -0.398 1.00 94.18 1SG 755 ATOM 755 O PHE 96 34.466 26.409 -0.166 1.00 94.18 1SG 756 ATOM 756 N ARG 97 36.084 25.009 -0.942 1.00165.34 1SG 757 ATOM 757 CA ARG 97 35.271 23.853 -1.195 1.00165.34 1SG 758 ATOM 758 CB ARG 97 35.322 23.386 -2.661 1.00165.34 1SG 759 ATOM 759 CG ARG 97 34.577 22.079 -2.936 1.00165.34 1SG 760 ATOM 760 CD ARG 97 34.325 21.846 -4.427 1.00165.34 1SG 761 ATOM 761 NE ARG 97 35.644 21.784 -5.117 1.00165.34 1SG 762 ATOM 762 CZ ARG 97 36.255 20.580 -5.309 1.00165.34 1SG 763 ATOM 763 NH1 ARG 97 35.673 19.440 -4.835 1.00165.34 1SG 764 ATOM 764 NH2 ARG 97 37.435 20.511 -5.992 1.00165.34 1SG 765 ATOM 765 C ARG 97 35.829 22.757 -0.336 1.00165.34 1SG 766 ATOM 766 O ARG 97 37.043 22.660 -0.171 1.00165.34 1SG 767 ATOM 767 N TYR 98 34.955 21.911 0.252 1.00161.64 1SG 768 ATOM 768 CA TYR 98 35.396 20.899 1.176 1.00161.64 1SG 769 ATOM 769 CB TYR 98 35.246 21.425 2.611 1.00161.64 1SG 770 ATOM 770 CG TYR 98 35.833 20.492 3.602 1.00161.64 1SG 771 ATOM 771 CD1 TYR 98 37.198 20.364 3.699 1.00161.64 1SG 772 ATOM 772 CD2 TYR 98 35.023 19.786 4.458 1.00161.64 1SG 773 ATOM 773 CE1 TYR 98 37.751 19.513 4.624 1.00161.64 1SG 774 ATOM 774 CE2 TYR 98 35.572 18.936 5.386 1.00161.64 1SG 775 ATOM 775 CZ TYR 98 36.935 18.797 5.466 1.00161.64 1SG 776 ATOM 776 OH TYR 98 37.495 17.923 6.420 1.00161.64 1SG 777 ATOM 777 C TYR 98 34.539 19.668 1.006 1.00161.64 1SG 778 ATOM 778 O TYR 98 33.514 19.702 0.332 1.00161.64 1SG 779 ATOM 779 N GLU 99 34.947 18.520 1.589 1.00 75.01 1SG 780 ATOM 780 CA GLU 99 34.149 17.324 1.486 1.00 75.01 1SG 781 ATOM 781 CB GLU 99 34.954 16.101 1.012 1.00 75.01 1SG 782 ATOM 782 CG GLU 99 34.130 14.818 0.893 1.00 75.01 1SG 783 ATOM 783 CD GLU 99 35.060 13.711 0.417 1.00 75.01 1SG 784 ATOM 784 OE1 GLU 99 36.271 13.998 0.219 1.00 75.01 1SG 785 ATOM 785 OE2 GLU 99 34.572 12.562 0.247 1.00 75.01 1SG 786 ATOM 786 C GLU 99 33.651 17.020 2.865 1.00 75.01 1SG 787 ATOM 787 O GLU 99 34.434 17.001 3.813 1.00 75.01 1SG 788 ATOM 788 N LYS 100 32.332 16.773 3.030 1.00 52.54 1SG 789 ATOM 789 CA LYS 100 31.880 16.541 4.373 1.00 52.54 1SG 790 ATOM 790 CB LYS 100 31.287 17.797 5.041 1.00 52.54 1SG 791 ATOM 791 CG LYS 100 32.302 18.926 5.245 1.00 52.54 1SG 792 ATOM 792 CD LYS 100 31.665 20.268 5.620 1.00 52.54 1SG 793 ATOM 793 CE LYS 100 32.679 21.396 5.826 1.00 52.54 1SG 794 ATOM 794 NZ LYS 100 31.975 22.644 6.205 1.00 52.54 1SG 795 ATOM 795 C LYS 100 30.809 15.495 4.402 1.00 52.54 1SG 796 ATOM 796 O LYS 100 30.099 15.227 3.432 1.00 52.54 1SG 797 ATOM 797 N PRO 101 30.738 14.875 5.549 1.00124.13 1SG 798 ATOM 798 CA PRO 101 29.688 13.932 5.801 1.00124.13 1SG 799 ATOM 799 CD PRO 101 31.952 14.547 6.276 1.00124.13 1SG 800 ATOM 800 CB PRO 101 30.117 13.151 7.042 1.00124.13 1SG 801 ATOM 801 CG PRO 101 31.655 13.224 6.999 1.00124.13 1SG 802 ATOM 802 C PRO 101 28.468 14.764 5.997 1.00124.13 1SG 803 ATOM 803 O PRO 101 28.602 15.904 6.434 1.00124.13 1SG 804 ATOM 804 N LEU 102 27.271 14.255 5.666 1.00 90.93 1SG 805 ATOM 805 CA LEU 102 26.152 15.123 5.854 1.00 90.93 1SG 806 ATOM 806 CB LEU 102 25.803 15.801 4.521 1.00 90.93 1SG 807 ATOM 807 CG LEU 102 24.936 17.062 4.596 1.00 90.93 1SG 808 ATOM 808 CD2 LEU 102 24.312 17.414 3.243 1.00 90.93 1SG 809 ATOM 809 CD1 LEU 102 25.781 18.230 5.092 1.00 90.93 1SG 810 ATOM 810 C LEU 102 25.033 14.221 6.303 1.00 90.93 1SG 811 ATOM 811 O LEU 102 24.761 13.211 5.656 1.00 90.93 1SG 812 ATOM 812 N HIS 103 24.361 14.518 7.436 1.00 84.81 1SG 813 ATOM 813 CA HIS 103 23.315 13.623 7.844 1.00 84.81 1SG 814 ATOM 814 ND1 HIS 103 21.929 11.638 10.033 1.00 84.81 1SG 815 ATOM 815 CG HIS 103 21.615 12.881 9.529 1.00 84.81 1SG 816 ATOM 816 CB HIS 103 22.642 13.928 9.194 1.00 84.81 1SG 817 ATOM 817 NE2 HIS 103 19.718 11.687 9.802 1.00 84.81 1SG 818 ATOM 818 CD2 HIS 103 20.260 12.894 9.395 1.00 84.81 1SG 819 ATOM 819 CE1 HIS 103 20.759 10.965 10.177 1.00 84.81 1SG 820 ATOM 820 C HIS 103 22.269 13.713 6.803 1.00 84.81 1SG 821 ATOM 821 O HIS 103 21.902 14.811 6.393 1.00 84.81 1SG 822 ATOM 822 N VAL 104 21.745 12.550 6.375 1.00 66.34 1SG 823 ATOM 823 CA VAL 104 20.861 12.517 5.255 1.00 66.34 1SG 824 ATOM 824 CB VAL 104 20.976 11.236 4.506 1.00 66.34 1SG 825 ATOM 825 CG1 VAL 104 20.046 11.316 3.306 1.00 66.34 1SG 826 ATOM 826 CG2 VAL 104 22.439 10.940 4.190 1.00 66.34 1SG 827 ATOM 827 C VAL 104 19.459 12.501 5.748 1.00 66.34 1SG 828 ATOM 828 O VAL 104 19.039 11.572 6.436 1.00 66.34 1SG 829 ATOM 829 N PRO 105 18.722 13.519 5.434 1.00150.84 1SG 830 ATOM 830 CA PRO 105 17.334 13.445 5.740 1.00150.84 1SG 831 ATOM 831 CD PRO 105 19.224 14.875 5.532 1.00150.84 1SG 832 ATOM 832 CB PRO 105 16.804 14.872 5.650 1.00150.84 1SG 833 ATOM 833 CG PRO 105 18.034 15.727 5.994 1.00150.84 1SG 834 ATOM 834 C PRO 105 16.734 12.498 4.762 1.00150.84 1SG 835 ATOM 835 O PRO 105 15.654 11.975 5.028 1.00150.84 1SG 836 ATOM 836 N ARG 106 17.397 12.278 3.605 1.00117.50 1SG 837 ATOM 837 CA ARG 106 16.762 11.404 2.669 1.00117.50 1SG 838 ATOM 838 CB ARG 106 15.535 12.119 2.078 1.00117.50 1SG 839 ATOM 839 CG ARG 106 14.724 11.403 1.002 1.00117.50 1SG 840 ATOM 840 CD ARG 106 13.395 12.131 0.789 1.00117.50 1SG 841 ATOM 841 NE ARG 106 12.879 11.812 -0.568 1.00117.50 1SG 842 ATOM 842 CZ ARG 106 12.233 12.793 -1.264 1.00117.50 1SG 843 ATOM 843 NH1 ARG 106 12.097 14.036 -0.715 1.00117.50 1SG 844 ATOM 844 NH2 ARG 106 11.718 12.537 -2.500 1.00117.50 1SG 845 ATOM 845 C ARG 106 17.710 11.025 1.565 1.00117.50 1SG 846 ATOM 846 O ARG 106 17.951 11.800 0.648 1.00117.50 1SG 847 ATOM 847 N ARG 107 18.322 9.823 1.654 1.00177.68 1SG 848 ATOM 848 CA ARG 107 19.065 9.286 0.547 1.00177.68 1SG 849 ATOM 849 CB ARG 107 18.345 9.511 -0.808 1.00177.68 1SG 850 ATOM 850 CG ARG 107 18.687 8.510 -1.913 1.00177.68 1SG 851 ATOM 851 CD ARG 107 20.163 8.131 -2.021 1.00177.68 1SG 852 ATOM 852 NE ARG 107 20.331 7.482 -3.353 1.00177.68 1SG 853 ATOM 853 CZ ARG 107 21.329 6.578 -3.577 1.00177.68 1SG 854 ATOM 854 NH1 ARG 107 22.131 6.168 -2.551 1.00177.68 1SG 855 ATOM 855 NH2 ARG 107 21.525 6.088 -4.836 1.00177.68 1SG 856 ATOM 856 C ARG 107 20.583 9.542 0.574 1.00177.68 1SG 857 ATOM 857 O ARG 107 21.256 9.049 1.479 1.00177.68 1SG 858 ATOM 858 N PRO 108 21.140 10.283 -0.383 1.00121.46 1SG 859 ATOM 859 CA PRO 108 22.563 10.366 -0.704 1.00121.46 1SG 860 ATOM 860 CD PRO 108 20.515 11.546 -0.748 1.00121.46 1SG 861 ATOM 861 CB PRO 108 22.561 11.134 -2.016 1.00121.46 1SG 862 ATOM 862 CG PRO 108 21.423 12.158 -1.822 1.00121.46 1SG 863 ATOM 863 C PRO 108 23.534 11.029 0.246 1.00121.46 1SG 864 ATOM 864 O PRO 108 23.096 11.652 1.212 1.00121.46 1SG 865 ATOM 865 N GLY 109 24.861 10.896 -0.050 1.00 77.56 1SG 866 ATOM 866 CA GLY 109 26.005 11.436 0.661 1.00 77.56 1SG 867 ATOM 867 C GLY 109 26.280 12.818 0.136 1.00 77.56 1SG 868 ATOM 868 O GLY 109 25.438 13.357 -0.579 1.00 77.56 1SG 869 ATOM 869 N ARG 110 27.450 13.445 0.460 1.00204.11 1SG 870 ATOM 870 CA ARG 110 27.553 14.808 0.009 1.00204.11 1SG 871 ATOM 871 CB ARG 110 26.563 15.685 0.775 1.00204.11 1SG 872 ATOM 872 CG ARG 110 26.251 16.960 0.028 1.00204.11 1SG 873 ATOM 873 CD ARG 110 24.873 17.513 0.346 1.00204.11 1SG 874 ATOM 874 NE ARG 110 24.576 18.381 -0.809 1.00204.11 1SG 875 ATOM 875 CZ ARG 110 23.637 19.359 -0.735 1.00204.11 1SG 876 ATOM 876 NH1 ARG 110 22.862 19.496 0.378 1.00204.11 1SG 877 ATOM 877 NH2 ARG 110 23.481 20.157 -1.823 1.00204.11 1SG 878 ATOM 878 C ARG 110 28.934 15.404 0.156 1.00204.11 1SG 879 ATOM 879 O ARG 110 29.785 14.904 0.889 1.00204.11 1SG 880 ATOM 880 N VAL 111 29.167 16.528 -0.568 1.00 59.20 1SG 881 ATOM 881 CA VAL 111 30.400 17.276 -0.571 1.00 59.20 1SG 882 ATOM 882 CB VAL 111 31.159 17.142 -1.860 1.00 59.20 1SG 883 ATOM 883 CG1 VAL 111 32.460 17.962 -1.793 1.00 59.20 1SG 884 ATOM 884 CG2 VAL 111 31.386 15.640 -2.114 1.00 59.20 1SG 885 ATOM 885 C VAL 111 29.987 18.705 -0.354 1.00 59.20 1SG 886 ATOM 886 O VAL 111 28.795 19.003 -0.390 1.00 59.20 1SG 887 ATOM 887 N MET 112 30.938 19.637 -0.109 1.00138.53 1SG 888 ATOM 888 CA MET 112 30.486 20.943 0.285 1.00138.53 1SG 889 ATOM 889 CB MET 112 30.352 21.006 1.822 1.00138.53 1SG 890 ATOM 890 CG MET 112 29.818 22.321 2.383 1.00138.53 1SG 891 ATOM 891 SD MET 112 29.661 22.387 4.187 1.00138.53 1SG 892 ATOM 892 CE MET 112 29.029 24.085 4.137 1.00138.53 1SG 893 ATOM 893 C MET 112 31.422 22.039 -0.139 1.00138.53 1SG 894 ATOM 894 O MET 112 32.512 21.806 -0.651 1.00138.53 1SG 895 ATOM 895 N PHE 113 30.949 23.296 -0.003 1.00 77.67 1SG 896 ATOM 896 CA PHE 113 31.769 24.466 -0.127 1.00 77.67 1SG 897 ATOM 897 CB PHE 113 31.223 25.552 -1.082 1.00 77.67 1SG 898 ATOM 898 CG PHE 113 31.475 25.131 -2.496 1.00 77.67 1SG 899 ATOM 899 CD1 PHE 113 32.714 25.336 -3.063 1.00 77.67 1SG 900 ATOM 900 CD2 PHE 113 30.490 24.550 -3.263 1.00 77.67 1SG 901 ATOM 901 CE1 PHE 113 32.970 24.962 -4.362 1.00 77.67 1SG 902 ATOM 902 CE2 PHE 113 30.740 24.174 -4.564 1.00 77.67 1SG 903 ATOM 903 CZ PHE 113 31.982 24.375 -5.116 1.00 77.67 1SG 904 ATOM 904 C PHE 113 31.753 24.997 1.266 1.00 77.67 1SG 905 ATOM 905 O PHE 113 30.691 25.113 1.875 1.00 77.67 1SG 906 ATOM 906 N VAL 114 32.936 25.299 1.826 1.00 48.26 1SG 907 ATOM 907 CA VAL 114 32.966 25.722 3.195 1.00 48.26 1SG 908 ATOM 908 CB VAL 114 33.952 24.953 4.012 1.00 48.26 1SG 909 ATOM 909 CG1 VAL 114 33.987 25.541 5.432 1.00 48.26 1SG 910 ATOM 910 CG2 VAL 114 33.586 23.466 3.932 1.00 48.26 1SG 911 ATOM 911 C VAL 114 33.421 27.130 3.244 1.00 48.26 1SG 912 ATOM 912 O VAL 114 34.243 27.550 2.433 1.00 48.26 1SG 913 ATOM 913 N ASP 115 32.881 27.897 4.210 1.00 55.20 1SG 914 ATOM 914 CA ASP 115 33.292 29.255 4.358 1.00 55.20 1SG 915 ATOM 915 CB ASP 115 32.111 30.221 4.530 1.00 55.20 1SG 916 ATOM 916 CG ASP 115 32.649 31.642 4.536 1.00 55.20 1SG 917 ATOM 917 OD1 ASP 115 32.987 32.136 5.644 1.00 55.20 1SG 918 ATOM 918 OD2 ASP 115 32.710 32.259 3.438 1.00 55.20 1SG 919 ATOM 919 C ASP 115 34.142 29.319 5.583 1.00 55.20 1SG 920 ATOM 920 O ASP 115 33.724 29.818 6.627 1.00 55.20 1SG 921 ATOM 921 N LEU 116 35.378 28.805 5.457 1.00132.50 1SG 922 ATOM 922 CA LEU 116 36.351 28.787 6.503 1.00132.50 1SG 923 ATOM 923 CB LEU 116 37.640 28.094 6.030 1.00132.50 1SG 924 ATOM 924 CG LEU 116 38.818 28.116 7.015 1.00132.50 1SG 925 ATOM 925 CD2 LEU 116 40.097 27.625 6.318 1.00132.50 1SG 926 ATOM 926 CD1 LEU 116 38.510 27.337 8.302 1.00132.50 1SG 927 ATOM 927 C LEU 116 36.656 30.209 6.825 1.00132.50 1SG 928 ATOM 928 O LEU 116 36.776 30.580 7.992 1.00132.50 1SG 929 ATOM 929 N SER 117 36.775 31.058 5.787 1.00137.17 1SG 930 ATOM 930 CA SER 117 37.052 32.426 6.095 1.00137.17 1SG 931 ATOM 931 CB SER 117 38.212 33.047 5.298 1.00137.17 1SG 932 ATOM 932 OG SER 117 39.241 32.087 5.105 1.00137.17 1SG 933 ATOM 933 C SER 117 35.824 33.210 5.751 1.00137.17 1SG 934 ATOM 934 O SER 117 35.185 33.000 4.722 1.00137.17 1SG 935 ATOM 935 N GLU 118 35.499 34.144 6.658 1.00134.23 1SG 936 ATOM 936 CA GLU 118 34.404 35.064 6.682 1.00134.23 1SG 937 ATOM 937 CB GLU 118 33.567 34.776 7.933 1.00134.23 1SG 938 ATOM 938 CG GLU 118 34.453 34.676 9.176 1.00134.23 1SG 939 ATOM 939 CD GLU 118 33.816 33.668 10.119 1.00134.23 1SG 940 ATOM 940 OE1 GLU 118 32.680 33.213 9.819 1.00134.23 1SG 941 ATOM 941 OE2 GLU 118 34.468 33.323 11.141 1.00134.23 1SG 942 ATOM 942 C GLU 118 35.025 36.430 6.793 1.00134.23 1SG 943 ATOM 943 O GLU 118 35.773 36.856 5.914 1.00134.23 1SG 944 ATOM 944 N VAL 119 34.648 37.181 7.846 1.00 93.64 1SG 945 ATOM 945 CA VAL 119 35.222 38.443 8.240 1.00 93.64 1SG 946 ATOM 946 CB VAL 119 34.671 39.661 7.509 1.00 93.64 1SG 947 ATOM 947 CG1 VAL 119 35.319 40.975 7.993 1.00 93.64 1SG 948 ATOM 948 CG2 VAL 119 34.978 39.470 6.017 1.00 93.64 1SG 949 ATOM 949 C VAL 119 34.900 38.453 9.705 1.00 93.64 1SG 950 ATOM 950 O VAL 119 34.799 37.370 10.277 1.00 93.64 1SG 951 ATOM 951 N ARG 120 34.814 39.621 10.375 1.00228.98 1SG 952 ATOM 952 CA ARG 120 34.368 39.638 11.737 1.00228.98 1SG 953 ATOM 953 CB ARG 120 34.609 41.006 12.411 1.00228.98 1SG 954 ATOM 954 CG ARG 120 34.012 42.182 11.630 1.00228.98 1SG 955 ATOM 955 CD ARG 120 34.869 42.597 10.433 1.00228.98 1SG 956 ATOM 956 NE ARG 120 34.047 43.503 9.584 1.00228.98 1SG 957 ATOM 957 CZ ARG 120 34.575 44.024 8.438 1.00228.98 1SG 958 ATOM 958 NH1 ARG 120 35.880 43.788 8.117 1.00228.98 1SG 959 ATOM 959 NH2 ARG 120 33.790 44.772 7.609 1.00228.98 1SG 960 ATOM 960 C ARG 120 32.903 39.381 11.613 1.00228.98 1SG 961 ATOM 961 O ARG 120 32.061 40.271 11.719 1.00228.98 1SG 962 ATOM 962 N TRP 121 32.578 38.097 11.401 1.00 64.69 1SG 963 ATOM 963 CA TRP 121 31.262 37.679 11.064 1.00 64.69 1SG 964 ATOM 964 CB TRP 121 31.253 37.100 9.635 1.00 64.69 1SG 965 ATOM 965 CG TRP 121 31.568 38.139 8.573 1.00 64.69 1SG 966 ATOM 966 CD2 TRP 121 31.796 37.861 7.178 1.00 64.69 1SG 967 ATOM 967 CD1 TRP 121 31.649 39.494 8.707 1.00 64.69 1SG 968 ATOM 968 NE1 TRP 121 31.872 40.078 7.481 1.00 64.69 1SG 969 ATOM 969 CE2 TRP 121 31.965 39.083 6.531 1.00 64.69 1SG 970 ATOM 970 CE3 TRP 121 31.860 36.688 6.486 1.00 64.69 1SG 971 ATOM 971 CZ2 TRP 121 32.183 39.143 5.182 1.00 64.69 1SG 972 ATOM 972 CZ3 TRP 121 32.078 36.748 5.128 1.00 64.69 1SG 973 ATOM 973 CH2 TRP 121 32.234 37.956 4.485 1.00 64.69 1SG 974 ATOM 974 C TRP 121 30.882 36.583 12.050 1.00 64.69 1SG 975 ATOM 975 O TRP 121 30.847 36.882 13.273 1.00 64.69 1SG 976 ATOM 976 OXT TRP 121 30.625 35.435 11.597 1.00 64.69 1SG 977 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.576 REMARK SCORE 0.576 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 12 PARENT 1NKI_A ATOM 1 N MET 1 47.520 17.203 13.960 1.00 64.35 1SG 2 ATOM 2 CA MET 1 47.981 17.907 12.743 1.00 64.35 1SG 3 ATOM 3 CB MET 1 47.718 17.046 11.496 1.00 64.35 1SG 4 ATOM 4 CG MET 1 48.345 17.613 10.220 1.00 64.35 1SG 5 ATOM 5 SD MET 1 48.094 16.594 8.736 1.00 64.35 1SG 6 ATOM 6 CE MET 1 49.156 17.606 7.664 1.00 64.35 1SG 7 ATOM 7 C MET 1 47.248 19.197 12.600 1.00 64.35 1SG 8 ATOM 8 O MET 1 47.452 20.129 13.375 1.00 64.35 1SG 9 ATOM 9 N GLU 2 46.362 19.279 11.591 1.00 61.80 1SG 10 ATOM 10 CA GLU 2 45.618 20.484 11.389 1.00 61.80 1SG 11 ATOM 11 CB GLU 2 45.701 21.036 9.957 1.00 61.80 1SG 12 ATOM 12 CG GLU 2 45.027 22.400 9.796 1.00 61.80 1SG 13 ATOM 13 CD GLU 2 45.186 22.831 8.346 1.00 61.80 1SG 14 ATOM 14 OE1 GLU 2 45.842 22.079 7.577 1.00 61.80 1SG 15 ATOM 15 OE2 GLU 2 44.658 23.918 7.988 1.00 61.80 1SG 16 ATOM 16 C GLU 2 44.189 20.169 11.679 1.00 61.80 1SG 17 ATOM 17 O GLU 2 43.827 19.009 11.866 1.00 61.80 1SG 18 ATOM 18 N ARG 3 43.338 21.211 11.743 1.00 64.86 1SG 19 ATOM 19 CA ARG 3 41.961 20.990 12.066 1.00 64.86 1SG 20 ATOM 20 CB ARG 3 41.170 22.298 12.177 1.00 64.86 1SG 21 ATOM 21 CG ARG 3 39.702 22.102 12.539 1.00 64.86 1SG 22 ATOM 22 CD ARG 3 38.946 23.425 12.580 1.00 64.86 1SG 23 ATOM 23 NE ARG 3 37.536 23.126 12.948 1.00 64.86 1SG 24 ATOM 24 CZ ARG 3 36.607 24.122 12.886 1.00 64.86 1SG 25 ATOM 25 NH1 ARG 3 36.961 25.345 12.396 1.00 64.86 1SG 26 ATOM 26 NH2 ARG 3 35.334 23.897 13.323 1.00 64.86 1SG 27 ATOM 27 C ARG 3 41.375 20.181 10.958 1.00 64.86 1SG 28 ATOM 28 O ARG 3 41.053 20.666 9.874 1.00 64.86 1SG 29 ATOM 29 N PRO 4 41.256 18.925 11.274 1.00 74.17 1SG 30 ATOM 30 CA PRO 4 40.816 17.908 10.366 1.00 74.17 1SG 31 ATOM 31 CD PRO 4 41.151 18.496 12.658 1.00 74.17 1SG 32 ATOM 32 CB PRO 4 40.837 16.612 11.168 1.00 74.17 1SG 33 ATOM 33 CG PRO 4 40.518 17.095 12.592 1.00 74.17 1SG 34 ATOM 34 C PRO 4 39.467 18.100 9.756 1.00 74.17 1SG 35 ATOM 35 O PRO 4 39.340 17.788 8.576 1.00 74.17 1SG 36 ATOM 36 N LYS 5 38.439 18.576 10.490 1.00107.40 1SG 37 ATOM 37 CA LYS 5 37.167 18.557 9.823 1.00107.40 1SG 38 ATOM 38 CB LYS 5 36.687 17.116 9.612 1.00107.40 1SG 39 ATOM 39 CG LYS 5 37.034 16.249 10.823 1.00107.40 1SG 40 ATOM 40 CD LYS 5 36.602 14.787 10.731 1.00107.40 1SG 41 ATOM 41 CE LYS 5 37.261 13.928 11.814 1.00107.40 1SG 42 ATOM 42 NZ LYS 5 36.809 12.523 11.713 1.00107.40 1SG 43 ATOM 43 C LYS 5 36.132 19.276 10.618 1.00107.40 1SG 44 ATOM 44 O LYS 5 36.281 19.505 11.817 1.00107.40 1SG 45 ATOM 45 N LEU 6 35.047 19.674 9.924 1.00116.94 1SG 46 ATOM 46 CA LEU 6 33.956 20.341 10.561 1.00116.94 1SG 47 ATOM 47 CB LEU 6 34.141 21.874 10.625 1.00116.94 1SG 48 ATOM 48 CG LEU 6 33.072 22.633 11.440 1.00116.94 1SG 49 ATOM 49 CD2 LEU 6 33.274 24.154 11.342 1.00116.94 1SG 50 ATOM 50 CD1 LEU 6 33.017 22.137 12.895 1.00116.94 1SG 51 ATOM 51 C LEU 6 32.724 20.014 9.776 1.00116.94 1SG 52 ATOM 52 O LEU 6 32.742 19.219 8.836 1.00116.94 1SG 53 ATOM 53 N GLY 7 31.591 20.591 10.192 1.00 47.90 1SG 54 ATOM 54 CA GLY 7 30.368 20.387 9.495 1.00 47.90 1SG 55 ATOM 55 C GLY 7 29.325 20.994 10.361 1.00 47.90 1SG 56 ATOM 56 O GLY 7 29.608 21.348 11.503 1.00 47.90 1SG 57 ATOM 57 N LEU 8 28.086 21.135 9.854 1.00 92.37 1SG 58 ATOM 58 CA LEU 8 27.100 21.765 10.686 1.00 92.37 1SG 59 ATOM 59 CB LEU 8 26.783 23.220 10.261 1.00 92.37 1SG 60 ATOM 60 CG LEU 8 28.000 24.176 10.391 1.00 92.37 1SG 61 ATOM 61 CD2 LEU 8 28.752 23.969 11.715 1.00 92.37 1SG 62 ATOM 62 CD1 LEU 8 27.601 25.646 10.196 1.00 92.37 1SG 63 ATOM 63 C LEU 8 25.856 20.929 10.661 1.00 92.37 1SG 64 ATOM 64 O LEU 8 25.660 20.140 9.741 1.00 92.37 1SG 65 ATOM 65 N ILE 9 24.993 21.035 11.693 1.00 98.55 1SG 66 ATOM 66 CA ILE 9 23.816 20.209 11.688 1.00 98.55 1SG 67 ATOM 67 CB ILE 9 23.602 19.392 12.954 1.00 98.55 1SG 68 ATOM 68 CG2 ILE 9 23.422 20.347 14.143 1.00 98.55 1SG 69 ATOM 69 CG1 ILE 9 22.500 18.327 12.805 1.00 98.55 1SG 70 ATOM 70 CD1 ILE 9 22.422 17.331 13.968 1.00 98.55 1SG 71 ATOM 71 C ILE 9 22.660 21.124 11.552 1.00 98.55 1SG 72 ATOM 72 O ILE 9 22.563 22.129 12.253 1.00 98.55 1SG 73 ATOM 73 N VAL 10 21.767 20.839 10.593 1.00152.26 1SG 74 ATOM 74 CA VAL 10 20.637 21.696 10.554 1.00152.26 1SG 75 ATOM 75 CB VAL 10 20.633 22.752 9.509 1.00152.26 1SG 76 ATOM 76 CG1 VAL 10 22.036 23.357 9.355 1.00152.26 1SG 77 ATOM 77 CG2 VAL 10 19.886 22.231 8.296 1.00152.26 1SG 78 ATOM 78 C VAL 10 19.497 20.824 10.189 1.00152.26 1SG 79 ATOM 79 O VAL 10 19.682 19.724 9.670 1.00152.26 1SG 80 ATOM 80 N ARG 11 18.281 21.312 10.468 1.00120.66 1SG 81 ATOM 81 CA ARG 11 17.095 20.550 10.244 1.00120.66 1SG 82 ATOM 82 CB ARG 11 15.857 21.241 10.842 1.00120.66 1SG 83 ATOM 83 CG ARG 11 14.637 20.329 10.989 1.00120.66 1SG 84 ATOM 84 CD ARG 11 13.439 21.040 11.622 1.00120.66 1SG 85 ATOM 85 NE ARG 11 12.349 20.043 11.824 1.00120.66 1SG 86 ATOM 86 CZ ARG 11 11.349 20.329 12.708 1.00120.66 1SG 87 ATOM 87 NH1 ARG 11 11.374 21.508 13.396 1.00120.66 1SG 88 ATOM 88 NH2 ARG 11 10.327 19.446 12.908 1.00120.66 1SG 89 ATOM 89 C ARG 11 16.838 20.305 8.784 1.00120.66 1SG 90 ATOM 90 O ARG 11 16.560 19.175 8.390 1.00120.66 1SG 91 ATOM 91 N GLU 12 16.961 21.336 7.924 1.00 66.73 1SG 92 ATOM 92 CA GLU 12 16.534 21.163 6.559 1.00 66.73 1SG 93 ATOM 93 CB GLU 12 15.800 22.405 6.022 1.00 66.73 1SG 94 ATOM 94 CG GLU 12 14.917 22.121 4.808 1.00 66.73 1SG 95 ATOM 95 CD GLU 12 14.117 23.369 4.488 1.00 66.73 1SG 96 ATOM 96 OE1 GLU 12 14.128 24.317 5.319 1.00 66.73 1SG 97 ATOM 97 OE2 GLU 12 13.480 23.389 3.402 1.00 66.73 1SG 98 ATOM 98 C GLU 12 17.709 20.837 5.686 1.00 66.73 1SG 99 ATOM 99 O GLU 12 18.843 20.937 6.134 1.00 66.73 1SG 100 ATOM 100 N PRO 13 17.500 20.408 4.464 1.00165.04 1SG 101 ATOM 101 CA PRO 13 18.620 20.063 3.623 1.00165.04 1SG 102 ATOM 102 CD PRO 13 16.359 19.545 4.180 1.00165.04 1SG 103 ATOM 103 CB PRO 13 18.034 19.307 2.433 1.00165.04 1SG 104 ATOM 104 CG PRO 13 16.796 18.619 3.030 1.00165.04 1SG 105 ATOM 105 C PRO 13 19.590 21.139 3.227 1.00165.04 1SG 106 ATOM 106 O PRO 13 20.691 20.760 2.844 1.00165.04 1SG 107 ATOM 107 N TYR 14 19.195 22.432 3.210 1.00333.08 1SG 108 ATOM 108 CA TYR 14 20.027 23.596 2.962 1.00333.08 1SG 109 ATOM 109 CB TYR 14 21.040 23.871 4.100 1.00333.08 1SG 110 ATOM 110 CG TYR 14 22.467 23.451 3.853 1.00333.08 1SG 111 ATOM 111 CD1 TYR 14 22.894 22.199 3.475 1.00333.08 1SG 112 ATOM 112 CD2 TYR 14 23.419 24.430 3.904 1.00333.08 1SG 113 ATOM 113 CE1 TYR 14 24.216 21.908 3.273 1.00333.08 1SG 114 ATOM 114 CE2 TYR 14 24.747 24.173 3.706 1.00333.08 1SG 115 ATOM 115 CZ TYR 14 25.148 22.899 3.405 1.00333.08 1SG 116 ATOM 116 OH TYR 14 26.507 22.604 3.208 1.00333.08 1SG 117 ATOM 117 C TYR 14 20.769 23.390 1.668 1.00333.08 1SG 118 ATOM 118 O TYR 14 21.723 24.103 1.352 1.00333.08 1SG 119 ATOM 119 N ALA 15 20.255 22.490 0.813 1.00 60.69 1SG 120 ATOM 120 CA ALA 15 20.979 22.097 -0.362 1.00 60.69 1SG 121 ATOM 121 CB ALA 15 20.192 21.106 -1.236 1.00 60.69 1SG 122 ATOM 122 C ALA 15 21.267 23.295 -1.206 1.00 60.69 1SG 123 ATOM 123 O ALA 15 22.367 23.435 -1.738 1.00 60.69 1SG 124 ATOM 124 N SER 16 20.295 24.207 -1.340 1.00 68.15 1SG 125 ATOM 125 CA SER 16 20.535 25.357 -2.155 1.00 68.15 1SG 126 ATOM 126 CB SER 16 19.257 26.184 -2.391 1.00 68.15 1SG 127 ATOM 127 OG SER 16 19.532 27.297 -3.229 1.00 68.15 1SG 128 ATOM 128 C SER 16 21.556 26.245 -1.500 1.00 68.15 1SG 129 ATOM 129 O SER 16 22.386 26.845 -2.182 1.00 68.15 1SG 130 ATOM 130 N LEU 17 21.539 26.331 -0.153 1.00116.01 1SG 131 ATOM 131 CA LEU 17 22.353 27.286 0.552 1.00116.01 1SG 132 ATOM 132 CB LEU 17 22.089 27.246 2.072 1.00116.01 1SG 133 ATOM 133 CG LEU 17 22.924 28.234 2.912 1.00116.01 1SG 134 ATOM 134 CD2 LEU 17 22.890 29.633 2.281 1.00116.01 1SG 135 ATOM 135 CD1 LEU 17 24.363 27.741 3.152 1.00116.01 1SG 136 ATOM 136 C LEU 17 23.827 27.102 0.335 1.00116.01 1SG 137 ATOM 137 O LEU 17 24.491 28.006 -0.169 1.00116.01 1SG 138 ATOM 138 N ILE 18 24.388 25.929 0.681 1.00111.57 1SG 139 ATOM 139 CA ILE 18 25.821 25.826 0.622 1.00111.57 1SG 140 ATOM 140 CB ILE 18 26.439 24.683 1.355 1.00111.57 1SG 141 ATOM 141 CG2 ILE 18 26.133 23.395 0.569 1.00111.57 1SG 142 ATOM 142 CG1 ILE 18 27.943 24.997 1.519 1.00111.57 1SG 143 ATOM 143 CD1 ILE 18 28.651 24.285 2.671 1.00111.57 1SG 144 ATOM 144 C ILE 18 26.354 25.775 -0.773 1.00111.57 1SG 145 ATOM 145 O ILE 18 27.420 26.324 -1.045 1.00111.57 1SG 146 ATOM 146 N VAL 19 25.667 25.071 -1.690 1.00 22.99 1SG 147 ATOM 147 CA VAL 19 26.199 24.950 -3.017 1.00 22.99 1SG 148 ATOM 148 CB VAL 19 25.346 24.112 -3.921 1.00 22.99 1SG 149 ATOM 149 CG1 VAL 19 25.957 24.138 -5.333 1.00 22.99 1SG 150 ATOM 150 CG2 VAL 19 25.244 22.701 -3.316 1.00 22.99 1SG 151 ATOM 151 C VAL 19 26.301 26.319 -3.604 1.00 22.99 1SG 152 ATOM 152 O VAL 19 27.284 26.649 -4.265 1.00 22.99 1SG 153 ATOM 153 N ASP 20 25.272 27.152 -3.368 1.00 40.72 1SG 154 ATOM 154 CA ASP 20 25.251 28.509 -3.834 1.00 40.72 1SG 155 ATOM 155 CB ASP 20 23.906 29.195 -3.556 1.00 40.72 1SG 156 ATOM 156 CG ASP 20 22.879 28.508 -4.451 1.00 40.72 1SG 157 ATOM 157 OD1 ASP 20 23.289 27.955 -5.506 1.00 40.72 1SG 158 ATOM 158 OD2 ASP 20 21.672 28.519 -4.087 1.00 40.72 1SG 159 ATOM 159 C ASP 20 26.352 29.204 -3.101 1.00 40.72 1SG 160 ATOM 160 O ASP 20 26.935 30.179 -3.571 1.00 40.72 1SG 161 ATOM 161 N GLY 21 26.664 28.659 -1.914 1.00 53.59 1SG 162 ATOM 162 CA GLY 21 27.715 29.066 -1.029 1.00 53.59 1SG 163 ATOM 163 C GLY 21 28.988 28.931 -1.802 1.00 53.59 1SG 164 ATOM 164 O GLY 21 30.012 29.504 -1.434 1.00 53.59 1SG 165 ATOM 165 N ARG 22 28.948 28.117 -2.875 1.00170.20 1SG 166 ATOM 166 CA ARG 22 30.061 27.884 -3.750 1.00170.20 1SG 167 ATOM 167 CB ARG 22 30.887 29.163 -3.999 1.00170.20 1SG 168 ATOM 168 CG ARG 22 32.093 29.001 -4.922 1.00170.20 1SG 169 ATOM 169 CD ARG 22 32.946 30.267 -4.995 1.00170.20 1SG 170 ATOM 170 NE ARG 22 34.085 29.989 -5.911 1.00170.20 1SG 171 ATOM 171 CZ ARG 22 35.048 30.937 -6.100 1.00170.20 1SG 172 ATOM 172 NH1 ARG 22 34.963 32.134 -5.450 1.00170.20 1SG 173 ATOM 173 NH2 ARG 22 36.095 30.686 -6.938 1.00170.20 1SG 174 ATOM 174 C ARG 22 30.951 26.836 -3.175 1.00170.20 1SG 175 ATOM 175 O ARG 22 32.007 26.536 -3.728 1.00170.20 1SG 176 ATOM 176 N LYS 23 30.543 26.219 -2.054 1.00 68.09 1SG 177 ATOM 177 CA LYS 23 31.305 25.085 -1.637 1.00 68.09 1SG 178 ATOM 178 CB LYS 23 31.152 24.741 -0.144 1.00 68.09 1SG 179 ATOM 179 CG LYS 23 31.844 25.705 0.822 1.00 68.09 1SG 180 ATOM 180 CD LYS 23 31.527 25.396 2.289 1.00 68.09 1SG 181 ATOM 181 CE LYS 23 32.367 26.185 3.295 1.00 68.09 1SG 182 ATOM 182 NZ LYS 23 31.999 25.791 4.674 1.00 68.09 1SG 183 ATOM 183 C LYS 23 30.776 23.969 -2.495 1.00 68.09 1SG 184 ATOM 184 O LYS 23 29.607 23.990 -2.875 1.00 68.09 1SG 185 ATOM 185 N VAL 24 31.615 22.973 -2.855 1.00 38.83 1SG 186 ATOM 186 CA VAL 24 31.156 21.960 -3.772 1.00 38.83 1SG 187 ATOM 187 CB VAL 24 32.251 21.414 -4.640 1.00 38.83 1SG 188 ATOM 188 CG1 VAL 24 31.677 20.283 -5.509 1.00 38.83 1SG 189 ATOM 189 CG2 VAL 24 32.856 22.577 -5.444 1.00 38.83 1SG 190 ATOM 190 C VAL 24 30.578 20.819 -3.000 1.00 38.83 1SG 191 ATOM 191 O VAL 24 31.231 20.250 -2.130 1.00 38.83 1SG 192 ATOM 192 N TRP 25 29.320 20.448 -3.309 1.00111.83 1SG 193 ATOM 193 CA TRP 25 28.648 19.425 -2.561 1.00111.83 1SG 194 ATOM 194 CB TRP 25 27.163 19.319 -2.936 1.00111.83 1SG 195 ATOM 195 CG TRP 25 26.424 18.237 -2.199 1.00111.83 1SG 196 ATOM 196 CD2 TRP 25 25.696 18.434 -0.979 1.00111.83 1SG 197 ATOM 197 CD1 TRP 25 26.284 16.922 -2.528 1.00111.83 1SG 198 ATOM 198 NE1 TRP 25 25.517 16.284 -1.586 1.00111.83 1SG 199 ATOM 199 CE2 TRP 25 25.146 17.203 -0.627 1.00111.83 1SG 200 ATOM 200 CE3 TRP 25 25.501 19.550 -0.216 1.00111.83 1SG 201 ATOM 201 CZ2 TRP 25 24.387 17.067 0.500 1.00111.83 1SG 202 ATOM 202 CZ3 TRP 25 24.737 19.410 0.921 1.00111.83 1SG 203 ATOM 203 CH2 TRP 25 24.191 18.192 1.271 1.00111.83 1SG 204 ATOM 204 C TRP 25 29.282 18.116 -2.881 1.00111.83 1SG 205 ATOM 205 O TRP 25 29.003 17.515 -3.917 1.00111.83 1SG 206 ATOM 206 N GLU 26 30.182 17.648 -1.994 1.00 93.59 1SG 207 ATOM 207 CA GLU 26 30.824 16.400 -2.268 1.00 93.59 1SG 208 ATOM 208 CB GLU 26 32.066 16.141 -1.404 1.00 93.59 1SG 209 ATOM 209 CG GLU 26 33.261 16.973 -1.869 1.00 93.59 1SG 210 ATOM 210 CD GLU 26 33.589 16.545 -3.296 1.00 93.59 1SG 211 ATOM 211 OE1 GLU 26 32.955 15.573 -3.788 1.00 93.59 1SG 212 ATOM 212 OE2 GLU 26 34.480 17.186 -3.914 1.00 93.59 1SG 213 ATOM 213 C GLU 26 29.879 15.259 -2.105 1.00 93.59 1SG 214 ATOM 214 O GLU 26 29.747 14.432 -3.006 1.00 93.59 1SG 215 ATOM 215 N ILE 27 29.170 15.183 -0.961 1.00102.04 1SG 216 ATOM 216 CA ILE 27 28.301 14.053 -0.832 1.00102.04 1SG 217 ATOM 217 CB ILE 27 28.918 12.865 -0.150 1.00102.04 1SG 218 ATOM 218 CG2 ILE 27 29.106 13.204 1.337 1.00102.04 1SG 219 ATOM 219 CG1 ILE 27 28.064 11.609 -0.404 1.00102.04 1SG 220 ATOM 220 CD1 ILE 27 28.774 10.299 -0.064 1.00102.04 1SG 221 ATOM 221 C ILE 27 27.086 14.450 -0.072 1.00102.04 1SG 222 ATOM 222 O ILE 27 27.082 15.426 0.678 1.00102.04 1SG 223 ATOM 223 N ARG 28 26.001 13.689 -0.284 1.00 91.49 1SG 224 ATOM 224 CA ARG 28 24.759 13.948 0.371 1.00 91.49 1SG 225 ATOM 225 CB ARG 28 23.693 14.419 -0.625 1.00 91.49 1SG 226 ATOM 226 CG ARG 28 22.313 14.727 -0.051 1.00 91.49 1SG 227 ATOM 227 CD ARG 28 21.360 15.181 -1.157 1.00 91.49 1SG 228 ATOM 228 NE ARG 28 20.076 15.606 -0.539 1.00 91.49 1SG 229 ATOM 229 CZ ARG 28 19.370 16.618 -1.123 1.00 91.49 1SG 230 ATOM 230 NH1 ARG 28 19.859 17.226 -2.243 1.00 91.49 1SG 231 ATOM 231 NH2 ARG 28 18.183 17.026 -0.587 1.00 91.49 1SG 232 ATOM 232 C ARG 28 24.278 12.645 0.901 1.00 91.49 1SG 233 ATOM 233 O ARG 28 24.223 11.657 0.169 1.00 91.49 1SG 234 ATOM 234 N ARG 29 23.934 12.585 2.200 1.00139.72 1SG 235 ATOM 235 CA ARG 29 23.355 11.350 2.616 1.00139.72 1SG 236 ATOM 236 CB ARG 29 24.319 10.281 3.168 1.00139.72 1SG 237 ATOM 237 CG ARG 29 25.114 10.582 4.434 1.00139.72 1SG 238 ATOM 238 CD ARG 29 26.001 9.378 4.762 1.00139.72 1SG 239 ATOM 239 NE ARG 29 26.591 9.540 6.117 1.00139.72 1SG 240 ATOM 240 CZ ARG 29 26.999 8.420 6.783 1.00139.72 1SG 241 ATOM 241 NH1 ARG 29 26.822 7.192 6.211 1.00139.72 1SG 242 ATOM 242 NH2 ARG 29 27.581 8.522 8.013 1.00139.72 1SG 243 ATOM 243 C ARG 29 22.249 11.636 3.570 1.00139.72 1SG 244 ATOM 244 O ARG 29 22.172 12.712 4.164 1.00139.72 1SG 245 ATOM 245 N ARG 30 21.354 10.645 3.712 1.00 96.00 1SG 246 ATOM 246 CA ARG 30 20.122 10.770 4.429 1.00 96.00 1SG 247 ATOM 247 CB ARG 30 19.302 9.467 4.392 1.00 96.00 1SG 248 ATOM 248 CG ARG 30 18.868 9.038 2.987 1.00 96.00 1SG 249 ATOM 249 CD ARG 30 18.053 7.741 2.974 1.00 96.00 1SG 250 ATOM 250 NE ARG 30 17.692 7.440 1.559 1.00 96.00 1SG 251 ATOM 251 CZ ARG 30 17.079 6.260 1.250 1.00 96.00 1SG 252 ATOM 252 NH1 ARG 30 16.794 5.361 2.237 1.00 96.00 1SG 253 ATOM 253 NH2 ARG 30 16.753 5.976 -0.044 1.00 96.00 1SG 254 ATOM 254 C ARG 30 20.328 11.108 5.871 1.00 96.00 1SG 255 ATOM 255 O ARG 30 19.685 12.024 6.380 1.00 96.00 1SG 256 ATOM 256 N LYS 31 21.237 10.414 6.581 1.00308.46 1SG 257 ATOM 257 CA LYS 31 21.259 10.686 7.988 1.00308.46 1SG 258 ATOM 258 CB LYS 31 21.005 9.442 8.856 1.00308.46 1SG 259 ATOM 259 CG LYS 31 19.697 8.731 8.501 1.00308.46 1SG 260 ATOM 260 CD LYS 31 18.469 9.643 8.536 1.00308.46 1SG 261 ATOM 261 CE LYS 31 17.207 8.983 7.975 1.00308.46 1SG 262 ATOM 262 NZ LYS 31 16.152 10.000 7.770 1.00308.46 1SG 263 ATOM 263 C LYS 31 22.578 11.237 8.391 1.00308.46 1SG 264 ATOM 264 O LYS 31 23.615 10.928 7.807 1.00308.46 1SG 265 ATOM 265 N THR 32 22.540 12.132 9.393 1.00366.98 1SG 266 ATOM 266 CA THR 32 23.737 12.691 9.927 1.00366.98 1SG 267 ATOM 267 CB THR 32 24.614 13.253 8.864 1.00366.98 1SG 268 ATOM 268 OG1 THR 32 25.674 14.008 9.430 1.00366.98 1SG 269 ATOM 269 CG2 THR 32 23.733 14.059 7.908 1.00366.98 1SG 270 ATOM 270 C THR 32 23.348 13.749 10.904 1.00366.98 1SG 271 ATOM 271 O THR 32 22.216 14.228 10.905 1.00366.98 1SG 272 ATOM 272 N ARG 33 24.291 14.136 11.778 1.00389.33 1SG 273 ATOM 273 CA ARG 33 23.980 15.098 12.789 1.00389.33 1SG 274 ATOM 274 CB ARG 33 23.297 14.392 13.978 1.00389.33 1SG 275 ATOM 275 CG ARG 33 23.655 14.822 15.398 1.00389.33 1SG 276 ATOM 276 CD ARG 33 24.469 13.697 16.039 1.00389.33 1SG 277 ATOM 277 NE ARG 33 24.369 13.765 17.520 1.00389.33 1SG 278 ATOM 278 CZ ARG 33 24.780 12.673 18.226 1.00389.33 1SG 279 ATOM 279 NH1 ARG 33 25.213 11.570 17.549 1.00389.33 1SG 280 ATOM 280 NH2 ARG 33 24.763 12.676 19.591 1.00389.33 1SG 281 ATOM 281 C ARG 33 25.248 15.771 13.195 1.00389.33 1SG 282 ATOM 282 O ARG 33 26.300 15.141 13.226 1.00389.33 1SG 283 ATOM 283 N HIS 34 25.175 17.093 13.463 1.00238.37 1SG 284 ATOM 284 CA HIS 34 26.293 17.861 13.919 1.00238.37 1SG 285 ATOM 285 ND1 HIS 34 26.640 21.339 14.525 1.00238.37 1SG 286 ATOM 286 CG HIS 34 27.256 20.247 13.954 1.00238.37 1SG 287 ATOM 287 CB HIS 34 26.497 19.202 13.198 1.00238.37 1SG 288 ATOM 288 NE2 HIS 34 28.808 21.533 14.964 1.00238.37 1SG 289 ATOM 289 CD2 HIS 34 28.580 20.379 14.232 1.00238.37 1SG 290 ATOM 290 CE1 HIS 34 27.615 22.076 15.115 1.00238.37 1SG 291 ATOM 291 C HIS 34 26.188 18.074 15.383 1.00238.37 1SG 292 ATOM 292 O HIS 34 25.648 19.055 15.895 1.00238.37 1SG 293 ATOM 293 N ARG 35 26.729 17.058 16.058 1.00256.01 1SG 294 ATOM 294 CA ARG 35 27.012 16.927 17.442 1.00256.01 1SG 295 ATOM 295 CB ARG 35 26.043 15.989 18.174 1.00256.01 1SG 296 ATOM 296 CG ARG 35 25.838 16.359 19.647 1.00256.01 1SG 297 ATOM 297 CD ARG 35 26.854 15.752 20.612 1.00256.01 1SG 298 ATOM 298 NE ARG 35 27.301 16.839 21.529 1.00256.01 1SG 299 ATOM 299 CZ ARG 35 27.593 16.563 22.834 1.00256.01 1SG 300 ATOM 300 NH1 ARG 35 27.372 15.312 23.334 1.00256.01 1SG 301 ATOM 301 NH2 ARG 35 28.116 17.536 23.635 1.00256.01 1SG 302 ATOM 302 C ARG 35 28.334 16.284 17.211 1.00256.01 1SG 303 ATOM 303 O ARG 35 29.374 16.927 17.343 1.00256.01 1SG 304 ATOM 304 N GLY 36 28.339 14.986 16.845 1.00 90.32 1SG 305 ATOM 305 CA GLY 36 29.569 14.602 16.226 1.00 90.32 1SG 306 ATOM 306 C GLY 36 29.491 15.485 15.018 1.00 90.32 1SG 307 ATOM 307 O GLY 36 28.635 15.280 14.163 1.00 90.32 1SG 308 ATOM 308 N PRO 37 30.325 16.471 14.908 1.00 85.10 1SG 309 ATOM 309 CA PRO 37 30.137 17.482 13.898 1.00 85.10 1SG 310 ATOM 310 CD PRO 37 31.715 16.358 15.316 1.00 85.10 1SG 311 ATOM 311 CB PRO 37 31.370 18.373 14.007 1.00 85.10 1SG 312 ATOM 312 CG PRO 37 32.466 17.380 14.444 1.00 85.10 1SG 313 ATOM 313 C PRO 37 29.979 16.977 12.493 1.00 85.10 1SG 314 ATOM 314 O PRO 37 30.872 16.278 12.017 1.00 85.10 1SG 315 ATOM 315 N LEU 38 28.854 17.291 11.804 1.00173.82 1SG 316 ATOM 316 CA LEU 38 28.874 16.995 10.401 1.00173.82 1SG 317 ATOM 317 CB LEU 38 28.607 15.512 9.988 1.00173.82 1SG 318 ATOM 318 CG LEU 38 29.415 14.371 10.677 1.00173.82 1SG 319 ATOM 319 CD2 LEU 38 29.919 13.315 9.679 1.00173.82 1SG 320 ATOM 320 CD1 LEU 38 28.655 13.765 11.875 1.00173.82 1SG 321 ATOM 321 C LEU 38 27.865 17.860 9.660 1.00173.82 1SG 322 ATOM 322 O LEU 38 26.676 17.834 9.964 1.00173.82 1SG 323 ATOM 323 N GLY 39 28.339 18.641 8.647 1.00155.86 1SG 324 ATOM 324 CA GLY 39 27.569 19.309 7.609 1.00155.86 1SG 325 ATOM 325 C GLY 39 28.531 19.349 6.449 1.00155.86 1SG 326 ATOM 326 O GLY 39 29.556 20.012 6.559 1.00155.86 1SG 327 ATOM 327 N ILE 40 28.227 18.691 5.300 1.00157.56 1SG 328 ATOM 328 CA ILE 40 29.201 18.429 4.264 1.00157.56 1SG 329 ATOM 329 CB ILE 40 29.351 16.991 3.832 1.00157.56 1SG 330 ATOM 330 CG2 ILE 40 28.230 16.638 2.844 1.00157.56 1SG 331 ATOM 331 CG1 ILE 40 30.704 16.734 3.169 1.00157.56 1SG 332 ATOM 332 CD1 ILE 40 30.802 15.284 2.696 1.00157.56 1SG 333 ATOM 333 C ILE 40 28.879 19.090 2.977 1.00157.56 1SG 334 ATOM 334 O ILE 40 27.733 19.297 2.577 1.00157.56 1SG 335 ATOM 335 N VAL 41 30.000 19.400 2.319 1.00 89.12 1SG 336 ATOM 336 CA VAL 41 30.207 19.992 1.046 1.00 89.12 1SG 337 ATOM 337 CB VAL 41 29.845 21.463 1.011 1.00 89.12 1SG 338 ATOM 338 CG1 VAL 41 30.080 22.030 -0.385 1.00 89.12 1SG 339 ATOM 339 CG2 VAL 41 28.377 21.650 1.389 1.00 89.12 1SG 340 ATOM 340 C VAL 41 31.700 19.821 0.989 1.00 89.12 1SG 341 ATOM 341 O VAL 41 32.237 18.923 1.639 1.00 89.12 1SG 342 ATOM 342 N SER 42 32.416 20.603 0.172 1.00 89.35 1SG 343 ATOM 343 CA SER 42 33.841 20.568 0.210 1.00 89.35 1SG 344 ATOM 344 CB SER 42 34.462 19.621 -0.825 1.00 89.35 1SG 345 ATOM 345 OG SER 42 35.877 19.649 -0.719 1.00 89.35 1SG 346 ATOM 346 C SER 42 34.248 21.950 -0.151 1.00 89.35 1SG 347 ATOM 347 O SER 42 33.785 22.496 -1.150 1.00 89.35 1SG 348 ATOM 348 N GLY 43 35.127 22.567 0.653 1.00 26.06 1SG 349 ATOM 349 CA GLY 43 35.482 23.904 0.300 1.00 26.06 1SG 350 ATOM 350 C GLY 43 36.877 24.133 0.743 1.00 26.06 1SG 351 ATOM 351 O GLY 43 37.229 23.880 1.895 1.00 26.06 1SG 352 ATOM 352 N GLY 44 37.706 24.646 -0.182 1.00 13.68 1SG 353 ATOM 353 CA GLY 44 39.069 24.895 0.152 1.00 13.68 1SG 354 ATOM 354 C GLY 44 39.621 23.585 0.590 1.00 13.68 1SG 355 ATOM 355 O GLY 44 39.345 22.547 -0.008 1.00 13.68 1SG 356 ATOM 356 N ARG 45 40.424 23.616 1.664 1.00 94.83 1SG 357 ATOM 357 CA ARG 45 40.988 22.422 2.209 1.00 94.83 1SG 358 ATOM 358 CB ARG 45 42.006 22.690 3.330 1.00 94.83 1SG 359 ATOM 359 CG ARG 45 42.681 21.413 3.832 1.00 94.83 1SG 360 ATOM 360 CD ARG 45 43.839 21.660 4.801 1.00 94.83 1SG 361 ATOM 361 NE ARG 45 44.375 20.325 5.187 1.00 94.83 1SG 362 ATOM 362 CZ ARG 45 45.719 20.136 5.334 1.00 94.83 1SG 363 ATOM 363 NH1 ARG 45 46.586 21.174 5.146 1.00 94.83 1SG 364 ATOM 364 NH2 ARG 45 46.197 18.901 5.663 1.00 94.83 1SG 365 ATOM 365 C ARG 45 39.870 21.607 2.776 1.00 94.83 1SG 366 ATOM 366 O ARG 45 39.903 20.379 2.736 1.00 94.83 1SG 367 ATOM 367 N LEU 46 38.837 22.289 3.308 1.00 47.06 1SG 368 ATOM 368 CA LEU 46 37.737 21.631 3.955 1.00 47.06 1SG 369 ATOM 369 CB LEU 46 36.613 22.622 4.314 1.00 47.06 1SG 370 ATOM 370 CG LEU 46 35.426 22.006 5.072 1.00 47.06 1SG 371 ATOM 371 CD2 LEU 46 34.249 22.992 5.160 1.00 47.06 1SG 372 ATOM 372 CD1 LEU 46 35.865 21.493 6.452 1.00 47.06 1SG 373 ATOM 373 C LEU 46 37.185 20.625 2.997 1.00 47.06 1SG 374 ATOM 374 O LEU 46 36.876 20.948 1.852 1.00 47.06 1SG 375 ATOM 375 N ILE 47 37.050 19.358 3.446 1.00 83.38 1SG 376 ATOM 376 CA ILE 47 36.575 18.355 2.537 1.00 83.38 1SG 377 ATOM 377 CB ILE 47 37.609 17.365 2.094 1.00 83.38 1SG 378 ATOM 378 CG2 ILE 47 37.802 16.321 3.209 1.00 83.38 1SG 379 ATOM 379 CG1 ILE 47 37.157 16.744 0.765 1.00 83.38 1SG 380 ATOM 380 CD1 ILE 47 38.276 16.032 0.013 1.00 83.38 1SG 381 ATOM 381 C ILE 47 35.484 17.586 3.204 1.00 83.38 1SG 382 ATOM 382 O ILE 47 35.269 17.705 4.409 1.00 83.38 1SG 383 ATOM 383 N GLY 48 34.749 16.779 2.415 1.00 88.97 1SG 384 ATOM 384 CA GLY 48 33.619 16.065 2.935 1.00 88.97 1SG 385 ATOM 385 C GLY 48 34.016 14.735 3.503 1.00 88.97 1SG 386 ATOM 386 O GLY 48 35.197 14.417 3.632 1.00 88.97 1SG 387 ATOM 387 N GLN 49 32.983 13.942 3.882 1.00253.55 1SG 388 ATOM 388 CA GLN 49 33.090 12.621 4.442 1.00253.55 1SG 389 ATOM 389 CB GLN 49 34.321 11.802 4.022 1.00253.55 1SG 390 ATOM 390 CG GLN 49 34.125 11.150 2.652 1.00253.55 1SG 391 ATOM 391 CD GLN 49 32.931 10.203 2.766 1.00253.55 1SG 392 ATOM 392 OE1 GLN 49 32.123 10.082 1.847 1.00253.55 1SG 393 ATOM 393 NE2 GLN 49 32.812 9.510 3.930 1.00253.55 1SG 394 ATOM 394 C GLN 49 33.004 12.712 5.926 1.00253.55 1SG 395 ATOM 395 O GLN 49 32.199 13.474 6.458 1.00253.55 1SG 396 ATOM 396 N ALA 50 33.835 11.918 6.632 1.00 58.58 1SG 397 ATOM 397 CA ALA 50 33.844 11.956 8.064 1.00 58.58 1SG 398 ATOM 398 CB ALA 50 34.956 11.091 8.682 1.00 58.58 1SG 399 ATOM 399 C ALA 50 34.147 13.379 8.362 1.00 58.58 1SG 400 ATOM 400 O ALA 50 33.623 13.965 9.309 1.00 58.58 1SG 401 ATOM 401 N ASP 51 34.992 13.966 7.494 1.00100.09 1SG 402 ATOM 402 CA ASP 51 35.342 15.341 7.582 1.00100.09 1SG 403 ATOM 403 CB ASP 51 36.229 15.807 6.406 1.00100.09 1SG 404 ATOM 404 CG ASP 51 36.747 17.218 6.676 1.00100.09 1SG 405 ATOM 405 OD1 ASP 51 35.938 18.081 7.112 1.00100.09 1SG 406 ATOM 406 OD2 ASP 51 37.969 17.444 6.472 1.00100.09 1SG 407 ATOM 407 C ASP 51 34.068 16.117 7.541 1.00100.09 1SG 408 ATOM 408 O ASP 51 33.479 16.405 8.581 1.00100.09 1SG 409 ATOM 409 N LEU 52 33.620 16.495 6.329 1.00179.41 1SG 410 ATOM 410 CA LEU 52 32.510 17.397 6.234 1.00179.41 1SG 411 ATOM 411 CB LEU 52 32.573 18.220 4.940 1.00179.41 1SG 412 ATOM 412 CG LEU 52 31.814 19.547 5.082 1.00179.41 1SG 413 ATOM 413 CD2 LEU 52 32.076 20.468 3.886 1.00179.41 1SG 414 ATOM 414 CD1 LEU 52 32.265 20.283 6.357 1.00179.41 1SG 415 ATOM 415 C LEU 52 31.109 16.838 6.500 1.00179.41 1SG 416 ATOM 416 O LEU 52 30.367 17.495 7.219 1.00179.41 1SG 417 ATOM 417 N VAL 53 30.719 15.623 6.012 1.00158.56 1SG 418 ATOM 418 CA VAL 53 29.370 15.015 6.024 1.00158.56 1SG 419 ATOM 419 CB VAL 53 29.162 13.799 6.880 1.00158.56 1SG 420 ATOM 420 CG1 VAL 53 27.650 13.685 7.137 1.00158.56 1SG 421 ATOM 421 CG2 VAL 53 29.656 12.550 6.126 1.00158.56 1SG 422 ATOM 422 C VAL 53 28.191 15.910 6.292 1.00158.56 1SG 423 ATOM 423 O VAL 53 28.058 16.479 7.351 1.00158.56 1SG 424 ATOM 424 N GLY 54 27.219 15.929 5.352 1.00100.02 1SG 425 ATOM 425 CA GLY 54 26.142 16.886 5.216 1.00100.02 1SG 426 ATOM 426 C GLY 54 25.048 16.937 6.210 1.00100.02 1SG 427 ATOM 427 O GLY 54 24.126 16.127 6.181 1.00100.02 1SG 428 ATOM 428 N VAL 55 25.098 17.964 7.080 1.00117.32 1SG 429 ATOM 429 CA VAL 55 23.925 18.279 7.821 1.00117.32 1SG 430 ATOM 430 CB VAL 55 23.964 17.930 9.286 1.00117.32 1SG 431 ATOM 431 CG1 VAL 55 22.574 18.230 9.871 1.00117.32 1SG 432 ATOM 432 CG2 VAL 55 24.362 16.461 9.474 1.00117.32 1SG 433 ATOM 433 C VAL 55 23.831 19.778 7.689 1.00117.32 1SG 434 ATOM 434 O VAL 55 23.431 20.482 8.612 1.00117.32 1SG 435 ATOM 435 N GLU 56 24.193 20.315 6.499 1.00224.37 1SG 436 ATOM 436 CA GLU 56 24.048 21.726 6.226 1.00224.37 1SG 437 ATOM 437 CB GLU 56 22.671 22.252 6.693 1.00224.37 1SG 438 ATOM 438 CG GLU 56 21.482 21.619 5.938 1.00224.37 1SG 439 ATOM 439 CD GLU 56 21.440 20.093 6.015 1.00224.37 1SG 440 ATOM 440 OE1 GLU 56 21.047 19.559 7.086 1.00224.37 1SG 441 ATOM 441 OE2 GLU 56 21.809 19.442 5.001 1.00224.37 1SG 442 ATOM 442 C GLU 56 25.220 22.469 6.842 1.00224.37 1SG 443 ATOM 443 O GLU 56 25.868 21.930 7.739 1.00224.37 1SG 444 ATOM 444 N GLY 57 25.550 23.712 6.371 1.00 92.23 1SG 445 ATOM 445 CA GLY 57 26.753 24.360 6.873 1.00 92.23 1SG 446 ATOM 446 C GLY 57 26.956 25.826 6.470 1.00 92.23 1SG 447 ATOM 447 O GLY 57 26.055 26.549 6.046 1.00 92.23 1SG 448 ATOM 448 N PRO 58 28.215 26.208 6.688 1.00262.95 1SG 449 ATOM 449 CA PRO 58 28.818 27.548 6.571 1.00262.95 1SG 450 ATOM 450 CD PRO 58 29.013 25.343 7.539 1.00262.95 1SG 451 ATOM 451 CB PRO 58 30.011 27.538 7.531 1.00262.95 1SG 452 ATOM 452 CG PRO 58 30.359 26.053 7.709 1.00262.95 1SG 453 ATOM 453 C PRO 58 29.247 28.112 5.216 1.00262.95 1SG 454 ATOM 454 O PRO 58 29.123 27.400 4.221 1.00262.95 1SG 455 ATOM 455 N PHE 59 29.775 29.389 5.180 1.00113.62 1SG 456 ATOM 456 CA PHE 59 30.167 30.123 3.975 1.00113.62 1SG 457 ATOM 457 CB PHE 59 29.178 31.259 3.635 1.00113.62 1SG 458 ATOM 458 CG PHE 59 29.502 31.906 2.325 1.00113.62 1SG 459 ATOM 459 CD1 PHE 59 29.315 31.234 1.138 1.00113.62 1SG 460 ATOM 460 CD2 PHE 59 29.944 33.209 2.272 1.00113.62 1SG 461 ATOM 461 CE1 PHE 59 29.596 31.837 -0.066 1.00113.62 1SG 462 ATOM 462 CE2 PHE 59 30.223 33.814 1.066 1.00113.62 1SG 463 ATOM 463 CZ PHE 59 30.054 33.130 -0.110 1.00113.62 1SG 464 ATOM 464 C PHE 59 31.559 30.722 4.074 1.00113.62 1SG 465 ATOM 465 O PHE 59 32.119 30.865 5.160 1.00113.62 1SG 466 ATOM 466 N SER 60 32.152 31.074 2.897 1.00 92.71 1SG 467 ATOM 467 CA SER 60 33.497 31.600 2.780 1.00 92.71 1SG 468 ATOM 468 CB SER 60 34.224 31.153 1.498 1.00 92.71 1SG 469 ATOM 469 OG SER 60 35.531 31.707 1.457 1.00 92.71 1SG 470 ATOM 470 C SER 60 33.527 33.105 2.820 1.00 92.71 1SG 471 ATOM 471 O SER 60 32.632 33.800 2.347 1.00 92.71 1SG 472 ATOM 472 N VAL 61 34.615 33.631 3.405 1.00 65.50 1SG 473 ATOM 473 CA VAL 61 34.864 35.019 3.680 1.00 65.50 1SG 474 ATOM 474 CB VAL 61 35.971 35.180 4.654 1.00 65.50 1SG 475 ATOM 475 CG1 VAL 61 36.195 36.687 4.856 1.00 65.50 1SG 476 ATOM 476 CG2 VAL 61 35.598 34.369 5.907 1.00 65.50 1SG 477 ATOM 477 C VAL 61 35.206 35.916 2.521 1.00 65.50 1SG 478 ATOM 478 O VAL 61 34.764 37.060 2.497 1.00 65.50 1SG 479 ATOM 479 N GLU 62 35.982 35.448 1.525 1.00107.93 1SG 480 ATOM 480 CA GLU 62 36.592 36.356 0.579 1.00107.93 1SG 481 ATOM 481 CB GLU 62 37.415 35.612 -0.490 1.00107.93 1SG 482 ATOM 482 CG GLU 62 38.603 36.405 -1.051 1.00107.93 1SG 483 ATOM 483 CD GLU 62 38.161 37.357 -2.152 1.00107.93 1SG 484 ATOM 484 OE1 GLU 62 36.946 37.388 -2.482 1.00107.93 1SG 485 ATOM 485 OE2 GLU 62 39.053 38.070 -2.686 1.00107.93 1SG 486 ATOM 486 C GLU 62 35.570 37.209 -0.115 1.00107.93 1SG 487 ATOM 487 O GLU 62 35.763 38.413 -0.277 1.00107.93 1SG 488 ATOM 488 N GLU 63 34.449 36.602 -0.527 1.00126.33 1SG 489 ATOM 489 CA GLU 63 33.371 37.251 -1.220 1.00126.33 1SG 490 ATOM 490 CB GLU 63 32.407 36.288 -1.930 1.00126.33 1SG 491 ATOM 491 CG GLU 63 32.875 35.949 -3.349 1.00126.33 1SG 492 ATOM 492 CD GLU 63 34.358 35.607 -3.309 1.00126.33 1SG 493 ATOM 493 OE1 GLU 63 34.759 34.810 -2.420 1.00126.33 1SG 494 ATOM 494 OE2 GLU 63 35.109 36.137 -4.171 1.00126.33 1SG 495 ATOM 495 C GLU 63 32.610 38.171 -0.318 1.00126.33 1SG 496 ATOM 496 O GLU 63 31.756 38.918 -0.786 1.00126.33 1SG 497 ATOM 497 N LEU 64 32.939 38.188 0.986 1.00144.58 1SG 498 ATOM 498 CA LEU 64 32.162 38.802 2.029 1.00144.58 1SG 499 ATOM 499 CB LEU 64 32.994 38.967 3.324 1.00144.58 1SG 500 ATOM 500 CG LEU 64 32.360 39.765 4.484 1.00144.58 1SG 501 ATOM 501 CD2 LEU 64 30.940 39.264 4.786 1.00144.58 1SG 502 ATOM 502 CD1 LEU 64 32.424 41.286 4.254 1.00144.58 1SG 503 ATOM 503 C LEU 64 31.626 40.154 1.663 1.00144.58 1SG 504 ATOM 504 O LEU 64 30.467 40.415 1.984 1.00144.58 1SG 505 ATOM 505 N LEU 65 32.391 41.061 1.024 1.00127.02 1SG 506 ATOM 506 CA LEU 65 31.789 42.346 0.761 1.00127.02 1SG 507 ATOM 507 CB LEU 65 32.721 43.324 0.021 1.00127.02 1SG 508 ATOM 508 CG LEU 65 32.070 44.694 -0.269 1.00127.02 1SG 509 ATOM 509 CD2 LEU 65 32.912 45.520 -1.254 1.00127.02 1SG 510 ATOM 510 CD1 LEU 65 31.744 45.456 1.026 1.00127.02 1SG 511 ATOM 511 C LEU 65 30.578 42.163 -0.105 1.00127.02 1SG 512 ATOM 512 O LEU 65 29.492 42.639 0.224 1.00127.02 1SG 513 ATOM 513 N ALA 66 30.730 41.443 -1.228 1.00 35.45 1SG 514 ATOM 514 CA ALA 66 29.617 41.192 -2.097 1.00 35.45 1SG 515 ATOM 515 CB ALA 66 30.027 40.502 -3.409 1.00 35.45 1SG 516 ATOM 516 C ALA 66 28.646 40.297 -1.395 1.00 35.45 1SG 517 ATOM 517 O ALA 66 27.434 40.473 -1.495 1.00 35.45 1SG 518 ATOM 518 N HIS 67 29.181 39.321 -0.641 1.00 58.59 1SG 519 ATOM 519 CA HIS 67 28.443 38.271 0.002 1.00 58.59 1SG 520 ATOM 520 ND1 HIS 67 27.766 35.272 0.834 1.00 58.59 1SG 521 ATOM 521 CG HIS 67 28.507 36.252 1.455 1.00 58.59 1SG 522 ATOM 522 CB HIS 67 29.339 37.264 0.734 1.00 58.59 1SG 523 ATOM 523 NE2 HIS 67 27.400 35.060 3.017 1.00 58.59 1SG 524 ATOM 524 CD2 HIS 67 28.273 36.108 2.788 1.00 58.59 1SG 525 ATOM 525 CE1 HIS 67 27.124 34.589 1.815 1.00 58.59 1SG 526 ATOM 526 C HIS 67 27.474 38.791 1.005 1.00 58.59 1SG 527 ATOM 527 O HIS 67 26.382 38.241 1.137 1.00 58.59 1SG 528 ATOM 528 N GLN 68 27.841 39.837 1.761 1.00 56.89 1SG 529 ATOM 529 CA GLN 68 26.929 40.313 2.757 1.00 56.89 1SG 530 ATOM 530 CB GLN 68 27.510 41.523 3.508 1.00 56.89 1SG 531 ATOM 531 CG GLN 68 26.632 42.061 4.636 1.00 56.89 1SG 532 ATOM 532 CD GLN 68 27.404 43.195 5.295 1.00 56.89 1SG 533 ATOM 533 OE1 GLN 68 26.957 43.778 6.281 1.00 56.89 1SG 534 ATOM 534 NE2 GLN 68 28.604 43.515 4.738 1.00 56.89 1SG 535 ATOM 535 C GLN 68 25.689 40.732 2.023 1.00 56.89 1SG 536 ATOM 536 O GLN 68 24.573 40.386 2.407 1.00 56.89 1SG 537 ATOM 537 N GLU 69 25.857 41.462 0.908 1.00100.97 1SG 538 ATOM 538 CA GLU 69 24.726 41.877 0.130 1.00100.97 1SG 539 ATOM 539 CB GLU 69 25.118 42.874 -0.981 1.00100.97 1SG 540 ATOM 540 CG GLU 69 23.925 43.478 -1.727 1.00100.97 1SG 541 ATOM 541 CD GLU 69 24.445 44.558 -2.669 1.00100.97 1SG 542 ATOM 542 OE1 GLU 69 25.689 44.751 -2.725 1.00100.97 1SG 543 ATOM 543 OE2 GLU 69 23.602 45.207 -3.344 1.00100.97 1SG 544 ATOM 544 C GLU 69 24.109 40.677 -0.528 1.00100.97 1SG 545 ATOM 545 O GLU 69 22.888 40.529 -0.572 1.00100.97 1SG 546 ATOM 546 N LYS 70 24.970 39.762 -1.010 1.00224.54 1SG 547 ATOM 547 CA LYS 70 24.616 38.641 -1.834 1.00224.54 1SG 548 ATOM 548 CB LYS 70 25.847 38.076 -2.575 1.00224.54 1SG 549 ATOM 549 CG LYS 70 25.593 36.877 -3.495 1.00224.54 1SG 550 ATOM 550 CD LYS 70 26.813 36.530 -4.358 1.00224.54 1SG 551 ATOM 551 CE LYS 70 26.706 35.194 -5.097 1.00224.54 1SG 552 ATOM 552 NZ LYS 70 27.943 34.947 -5.875 1.00224.54 1SG 553 ATOM 553 C LYS 70 24.037 37.523 -1.034 1.00224.54 1SG 554 ATOM 554 O LYS 70 24.187 37.432 0.183 1.00224.54 1SG 555 ATOM 555 N HIS 71 23.272 36.665 -1.729 1.00357.68 1SG 556 ATOM 556 CA HIS 71 22.777 35.470 -1.125 1.00357.68 1SG 557 ATOM 557 ND1 HIS 71 22.462 33.426 1.346 1.00357.68 1SG 558 ATOM 558 CG HIS 71 21.617 34.355 0.780 1.00357.68 1SG 559 ATOM 559 CB HIS 71 22.077 35.668 0.227 1.00357.68 1SG 560 ATOM 560 NE2 HIS 71 20.422 32.548 1.408 1.00357.68 1SG 561 ATOM 561 CD2 HIS 71 20.374 33.803 0.826 1.00357.68 1SG 562 ATOM 562 CE1 HIS 71 21.696 32.366 1.704 1.00357.68 1SG 563 ATOM 563 C HIS 71 21.775 34.883 -2.056 1.00357.68 1SG 564 ATOM 564 O HIS 71 21.000 35.604 -2.683 1.00357.68 1SG 565 ATOM 565 N LEU 72 21.781 33.546 -2.191 1.00318.32 1SG 566 ATOM 566 CA LEU 72 20.775 32.943 -3.007 1.00318.32 1SG 567 ATOM 567 CB LEU 72 21.306 32.009 -4.106 1.00318.32 1SG 568 ATOM 568 CG LEU 72 20.165 31.415 -4.949 1.00318.32 1SG 569 ATOM 569 CD2 LEU 72 20.669 30.324 -5.906 1.00318.32 1SG 570 ATOM 570 CD1 LEU 72 19.389 32.527 -5.673 1.00318.32 1SG 571 ATOM 571 C LEU 72 19.950 32.126 -2.075 1.00318.32 1SG 572 ATOM 572 O LEU 72 20.484 31.389 -1.247 1.00318.32 1SG 573 ATOM 573 N ALA 73 18.614 32.242 -2.176 1.00262.14 1SG 574 ATOM 574 CA ALA 73 17.804 31.527 -1.240 1.00262.14 1SG 575 ATOM 575 CB ALA 73 16.900 32.433 -0.387 1.00262.14 1SG 576 ATOM 576 C ALA 73 16.912 30.580 -1.968 1.00262.14 1SG 577 ATOM 577 O ALA 73 16.454 30.841 -3.079 1.00262.14 1SG 578 ATOM 578 N GLU 74 16.672 29.430 -1.316 1.00251.10 1SG 579 ATOM 579 CA GLU 74 15.802 28.387 -1.761 1.00251.10 1SG 580 ATOM 580 CB GLU 74 16.477 27.003 -1.801 1.00251.10 1SG 581 ATOM 581 CG GLU 74 15.633 25.921 -2.480 1.00251.10 1SG 582 ATOM 582 CD GLU 74 16.326 24.577 -2.299 1.00251.10 1SG 583 ATOM 583 OE1 GLU 74 17.284 24.501 -1.484 1.00251.10 1SG 584 ATOM 584 OE2 GLU 74 15.897 23.603 -2.974 1.00251.10 1SG 585 ATOM 585 C GLU 74 14.784 28.347 -0.677 1.00251.10 1SG 586 ATOM 586 O GLU 74 14.528 29.371 -0.045 1.00251.10 1SG 587 ATOM 587 N GLU 75 14.131 27.194 -0.453 1.00268.14 1SG 588 ATOM 588 CA GLU 75 13.251 27.172 0.673 1.00268.14 1SG 589 ATOM 589 CB GLU 75 12.275 25.978 0.645 1.00268.14 1SG 590 ATOM 590 CG GLU 75 11.287 25.935 1.814 1.00268.14 1SG 591 ATOM 591 CD GLU 75 10.247 27.034 1.630 1.00268.14 1SG 592 ATOM 592 OE1 GLU 75 10.347 27.796 0.632 1.00268.14 1SG 593 ATOM 593 OE2 GLU 75 9.336 27.127 2.496 1.00268.14 1SG 594 ATOM 594 C GLU 75 14.155 27.025 1.859 1.00268.14 1SG 595 ATOM 595 O GLU 75 14.269 25.947 2.439 1.00268.14 1SG 596 ATOM 596 N ALA 76 14.823 28.136 2.238 1.00261.39 1SG 597 ATOM 597 CA ALA 76 15.760 28.175 3.326 1.00261.39 1SG 598 ATOM 598 CB ALA 76 17.166 27.687 2.938 1.00261.39 1SG 599 ATOM 599 C ALA 76 15.886 29.614 3.722 1.00261.39 1SG 600 ATOM 600 O ALA 76 15.466 30.500 2.979 1.00261.39 1SG 601 ATOM 601 N PHE 77 16.444 29.898 4.921 1.00178.45 1SG 602 ATOM 602 CA PHE 77 16.509 31.284 5.295 1.00178.45 1SG 603 ATOM 603 CB PHE 77 15.656 31.541 6.549 1.00178.45 1SG 604 ATOM 604 CG PHE 77 14.469 30.631 6.495 1.00178.45 1SG 605 ATOM 605 CD1 PHE 77 14.601 29.355 6.997 1.00178.45 1SG 606 ATOM 606 CD2 PHE 77 13.254 31.008 5.969 1.00178.45 1SG 607 ATOM 607 CE1 PHE 77 13.553 28.465 6.982 1.00178.45 1SG 608 ATOM 608 CE2 PHE 77 12.200 30.120 5.951 1.00178.45 1SG 609 ATOM 609 CZ PHE 77 12.346 28.849 6.455 1.00178.45 1SG 610 ATOM 610 C PHE 77 17.924 31.574 5.738 1.00178.45 1SG 611 ATOM 611 O PHE 77 18.123 32.003 6.874 1.00178.45 1SG 612 ATOM 612 N LEU 78 18.948 31.345 4.883 1.00217.54 1SG 613 ATOM 613 CA LEU 78 20.304 31.563 5.317 1.00217.54 1SG 614 ATOM 614 CB LEU 78 21.358 30.775 4.521 1.00217.54 1SG 615 ATOM 615 CG LEU 78 22.798 31.027 5.015 1.00217.54 1SG 616 ATOM 616 CD2 LEU 78 22.812 31.046 6.553 1.00217.54 1SG 617 ATOM 617 CD1 LEU 78 23.417 32.311 4.438 1.00217.54 1SG 618 ATOM 618 C LEU 78 20.702 32.995 5.348 1.00217.54 1SG 619 ATOM 619 O LEU 78 21.365 33.431 6.287 1.00217.54 1SG 620 ATOM 620 N ARG 79 20.315 33.796 4.342 1.00235.73 1SG 621 ATOM 621 CA ARG 79 20.951 35.067 4.407 1.00235.73 1SG 622 ATOM 622 CB ARG 79 22.290 35.098 3.664 1.00235.73 1SG 623 ATOM 623 CG ARG 79 23.203 36.151 4.266 1.00235.73 1SG 624 ATOM 624 CD ARG 79 24.325 36.672 3.379 1.00235.73 1SG 625 ATOM 625 NE ARG 79 24.990 37.698 4.223 1.00235.73 1SG 626 ATOM 626 CZ ARG 79 24.279 38.798 4.613 1.00235.73 1SG 627 ATOM 627 NH1 ARG 79 23.009 39.002 4.150 1.00235.73 1SG 628 ATOM 628 NH2 ARG 79 24.832 39.699 5.475 1.00235.73 1SG 629 ATOM 629 C ARG 79 20.076 36.128 3.835 1.00235.73 1SG 630 ATOM 630 O ARG 79 18.944 36.318 4.278 1.00235.73 1SG 631 ATOM 631 N ALA 80 20.577 36.783 2.765 1.00 90.85 1SG 632 ATOM 632 CA ALA 80 20.011 37.983 2.218 1.00 90.85 1SG 633 ATOM 633 CB ALA 80 20.628 38.370 0.864 1.00 90.85 1SG 634 ATOM 634 C ALA 80 18.563 37.756 2.001 1.00 90.85 1SG 635 ATOM 635 O ALA 80 17.754 38.646 2.260 1.00 90.85 1SG 636 ATOM 636 N TYR 81 18.169 36.565 1.532 1.00244.18 1SG 637 ATOM 637 CA TYR 81 16.752 36.419 1.523 1.00244.18 1SG 638 ATOM 638 CB TYR 81 16.256 35.197 0.733 1.00244.18 1SG 639 ATOM 639 CG TYR 81 16.522 35.445 -0.710 1.00244.18 1SG 640 ATOM 640 CD1 TYR 81 17.767 35.218 -1.250 1.00244.18 1SG 641 ATOM 641 CD2 TYR 81 15.512 35.904 -1.522 1.00244.18 1SG 642 ATOM 642 CE1 TYR 81 17.997 35.451 -2.585 1.00244.18 1SG 643 ATOM 643 CE2 TYR 81 15.736 36.138 -2.857 1.00244.18 1SG 644 ATOM 644 CZ TYR 81 16.982 35.912 -3.389 1.00244.18 1SG 645 ATOM 645 OH TYR 81 17.216 36.152 -4.759 1.00244.18 1SG 646 ATOM 646 C TYR 81 16.379 36.199 2.955 1.00244.18 1SG 647 ATOM 647 O TYR 81 16.768 35.195 3.548 1.00244.18 1SG 648 ATOM 648 N ALA 82 15.616 37.151 3.534 1.00 75.76 1SG 649 ATOM 649 CA ALA 82 15.118 37.093 4.884 1.00 75.76 1SG 650 ATOM 650 CB ALA 82 13.827 36.265 5.021 1.00 75.76 1SG 651 ATOM 651 C ALA 82 16.140 36.546 5.839 1.00 75.76 1SG 652 ATOM 652 O ALA 82 16.026 35.399 6.269 1.00 75.76 1SG 653 ATOM 653 N LYS 83 17.184 37.332 6.182 1.00 90.01 1SG 654 ATOM 654 CA LYS 83 18.162 36.841 7.118 1.00 90.01 1SG 655 ATOM 655 CB LYS 83 19.628 37.153 6.771 1.00 90.01 1SG 656 ATOM 656 CG LYS 83 20.632 36.329 7.578 1.00 90.01 1SG 657 ATOM 657 CD LYS 83 22.034 36.321 6.966 1.00 90.01 1SG 658 ATOM 658 CE LYS 83 22.994 35.317 7.609 1.00 90.01 1SG 659 ATOM 659 NZ LYS 83 24.348 35.476 7.033 1.00 90.01 1SG 660 ATOM 660 C LYS 83 17.946 37.516 8.421 1.00 90.01 1SG 661 ATOM 661 O LYS 83 17.454 38.641 8.488 1.00 90.01 1SG 662 ATOM 662 N ASP 84 18.291 36.807 9.509 1.00143.11 1SG 663 ATOM 663 CA ASP 84 18.269 37.463 10.772 1.00143.11 1SG 664 ATOM 664 CB ASP 84 17.915 36.545 11.957 1.00143.11 1SG 665 ATOM 665 CG ASP 84 17.887 37.386 13.230 1.00143.11 1SG 666 ATOM 666 OD1 ASP 84 18.134 38.618 13.135 1.00143.11 1SG 667 ATOM 667 OD2 ASP 84 17.616 36.806 14.315 1.00143.11 1SG 668 ATOM 668 C ASP 84 19.672 37.921 10.939 1.00143.11 1SG 669 ATOM 669 O ASP 84 20.442 37.361 11.721 1.00143.11 1SG 670 ATOM 670 N GLU 85 20.054 38.939 10.143 1.00243.19 1SG 671 ATOM 671 CA GLU 85 21.376 39.439 10.309 1.00243.19 1SG 672 ATOM 672 CB GLU 85 21.964 40.268 9.158 1.00243.19 1SG 673 ATOM 673 CG GLU 85 23.328 40.849 9.555 1.00243.19 1SG 674 ATOM 674 CD GLU 85 24.069 41.318 8.314 1.00243.19 1SG 675 ATOM 675 OE1 GLU 85 23.479 41.240 7.205 1.00243.19 1SG 676 ATOM 676 OE2 GLU 85 25.243 41.754 8.460 1.00243.19 1SG 677 ATOM 677 C GLU 85 21.346 40.323 11.484 1.00243.19 1SG 678 ATOM 678 O GLU 85 20.436 41.119 11.707 1.00243.19 1SG 679 ATOM 679 N PRO 86 22.357 40.143 12.248 1.00194.96 1SG 680 ATOM 680 CA PRO 86 22.455 40.951 13.407 1.00194.96 1SG 681 ATOM 681 CD PRO 86 22.857 38.798 12.464 1.00194.96 1SG 682 ATOM 682 CB PRO 86 23.533 40.275 14.247 1.00194.96 1SG 683 ATOM 683 CG PRO 86 23.387 38.782 13.901 1.00194.96 1SG 684 ATOM 684 C PRO 86 22.657 42.387 13.025 1.00194.96 1SG 685 ATOM 685 O PRO 86 23.643 42.703 12.360 1.00194.96 1SG 686 ATOM 686 N LEU 87 21.718 43.260 13.443 1.00281.37 1SG 687 ATOM 687 CA LEU 87 21.768 44.683 13.249 1.00281.37 1SG 688 ATOM 688 CB LEU 87 20.362 45.326 13.280 1.00281.37 1SG 689 ATOM 689 CG LEU 87 20.298 46.862 13.129 1.00281.37 1SG 690 ATOM 690 CD2 LEU 87 18.905 47.393 13.511 1.00281.37 1SG 691 ATOM 691 CD1 LEU 87 20.744 47.330 11.735 1.00281.37 1SG 692 ATOM 692 C LEU 87 22.508 45.143 14.449 1.00281.37 1SG 693 ATOM 693 O LEU 87 22.603 44.393 15.418 1.00281.37 1SG 694 ATOM 694 N TYR 88 23.096 46.350 14.477 1.00235.56 1SG 695 ATOM 695 CA TYR 88 23.701 46.465 15.761 1.00235.56 1SG 696 ATOM 696 CB TYR 88 25.125 47.069 15.808 1.00235.56 1SG 697 ATOM 697 CG TYR 88 25.497 47.084 17.257 1.00235.56 1SG 698 ATOM 698 CD1 TYR 88 25.586 45.917 17.981 1.00235.56 1SG 699 ATOM 699 CD2 TYR 88 25.745 48.280 17.890 1.00235.56 1SG 700 ATOM 700 CE1 TYR 88 25.910 45.950 19.317 1.00235.56 1SG 701 ATOM 701 CE2 TYR 88 26.072 48.321 19.225 1.00235.56 1SG 702 ATOM 702 CZ TYR 88 26.152 47.151 19.941 1.00235.56 1SG 703 ATOM 703 OH TYR 88 26.483 47.177 21.313 1.00235.56 1SG 704 ATOM 704 C TYR 88 22.775 47.181 16.690 1.00235.56 1SG 705 ATOM 705 O TYR 88 23.057 48.264 17.202 1.00235.56 1SG 706 ATOM 706 N ALA 89 21.564 46.618 16.861 1.00 89.64 1SG 707 ATOM 707 CA ALA 89 20.828 47.019 18.015 1.00 89.64 1SG 708 ATOM 708 CB ALA 89 19.414 46.421 18.053 1.00 89.64 1SG 709 ATOM 709 C ALA 89 21.646 46.328 19.050 1.00 89.64 1SG 710 ATOM 710 O ALA 89 22.035 46.876 20.080 1.00 89.64 1SG 711 ATOM 711 N TRP 90 21.920 45.054 18.692 1.00221.55 1SG 712 ATOM 712 CA TRP 90 22.774 44.071 19.287 1.00221.55 1SG 713 ATOM 713 CB TRP 90 22.283 43.530 20.647 1.00221.55 1SG 714 ATOM 714 CG TRP 90 22.463 44.521 21.776 1.00221.55 1SG 715 ATOM 715 CD2 TRP 90 21.552 44.693 22.876 1.00221.55 1SG 716 ATOM 716 CD1 TRP 90 23.455 45.442 21.952 1.00221.55 1SG 717 ATOM 717 NE1 TRP 90 23.218 46.180 23.087 1.00221.55 1SG 718 ATOM 718 CE2 TRP 90 22.049 45.731 23.665 1.00221.55 1SG 719 ATOM 719 CE3 TRP 90 20.391 44.048 23.197 1.00221.55 1SG 720 ATOM 720 CZ2 TRP 90 21.389 46.141 24.788 1.00221.55 1SG 721 ATOM 721 CZ3 TRP 90 19.732 44.459 24.336 1.00221.55 1SG 722 ATOM 722 CH2 TRP 90 20.221 45.487 25.115 1.00221.55 1SG 723 ATOM 723 C TRP 90 22.798 42.958 18.275 1.00221.55 1SG 724 ATOM 724 O TRP 90 21.753 42.468 17.851 1.00221.55 1SG 725 ATOM 725 N VAL 91 24.007 42.540 17.862 1.00173.00 1SG 726 ATOM 726 CA VAL 91 24.253 41.535 16.865 1.00173.00 1SG 727 ATOM 727 CB VAL 91 25.429 41.933 16.053 1.00173.00 1SG 728 ATOM 728 CG1 VAL 91 25.022 43.064 15.091 1.00173.00 1SG 729 ATOM 729 CG2 VAL 91 26.441 42.441 17.093 1.00173.00 1SG 730 ATOM 730 C VAL 91 24.593 40.322 17.619 1.00173.00 1SG 731 ATOM 731 O VAL 91 24.837 40.395 18.825 1.00173.00 1SG 732 ATOM 732 N LEU 92 24.539 39.167 16.927 1.00105.96 1SG 733 ATOM 733 CA LEU 92 24.945 37.996 17.619 1.00105.96 1SG 734 ATOM 734 CB LEU 92 24.837 36.734 16.752 1.00105.96 1SG 735 ATOM 735 CG LEU 92 25.085 35.430 17.527 1.00105.96 1SG 736 ATOM 736 CD2 LEU 92 24.956 34.227 16.584 1.00105.96 1SG 737 ATOM 737 CD1 LEU 92 24.145 35.306 18.740 1.00105.96 1SG 738 ATOM 738 C LEU 92 26.361 38.330 17.921 1.00105.96 1SG 739 ATOM 739 O LEU 92 26.838 38.187 19.045 1.00105.96 1SG 740 ATOM 740 N GLU 93 27.036 38.875 16.900 1.00128.57 1SG 741 ATOM 741 CA GLU 93 28.339 39.431 17.060 1.00128.57 1SG 742 ATOM 742 CB GLU 93 29.464 38.429 16.789 1.00128.57 1SG 743 ATOM 743 CG GLU 93 30.844 39.008 17.076 1.00128.57 1SG 744 ATOM 744 CD GLU 93 30.945 39.143 18.586 1.00128.57 1SG 745 ATOM 745 OE1 GLU 93 30.729 38.113 19.279 1.00128.57 1SG 746 ATOM 746 OE2 GLU 93 31.232 40.271 19.067 1.00128.57 1SG 747 ATOM 747 C GLU 93 28.371 40.519 16.037 1.00128.57 1SG 748 ATOM 748 O GLU 93 27.654 40.443 15.043 1.00128.57 1SG 749 ATOM 749 N ASN 94 29.126 41.611 16.268 1.00 81.16 1SG 750 ATOM 750 CA ASN 94 29.111 42.657 15.279 1.00 81.16 1SG 751 ATOM 751 CB ASN 94 28.528 44.005 15.743 1.00 81.16 1SG 752 ATOM 752 CG ASN 94 28.244 44.839 14.503 1.00 81.16 1SG 753 ATOM 753 OD1 ASN 94 28.191 46.067 14.541 1.00 81.16 1SG 754 ATOM 754 ND2 ASN 94 28.041 44.137 13.358 1.00 81.16 1SG 755 ATOM 755 C ASN 94 30.522 42.929 14.906 1.00 81.16 1SG 756 ATOM 756 O ASN 94 31.447 42.462 15.568 1.00 81.16 1SG 757 ATOM 757 N ALA 95 30.730 43.676 13.806 1.00 45.52 1SG 758 ATOM 758 CA ALA 95 32.079 43.971 13.437 1.00 45.52 1SG 759 ATOM 759 CB ALA 95 32.212 44.682 12.078 1.00 45.52 1SG 760 ATOM 760 C ALA 95 32.653 44.868 14.483 1.00 45.52 1SG 761 ATOM 761 O ALA 95 32.005 45.806 14.945 1.00 45.52 1SG 762 ATOM 762 N PHE 96 33.902 44.574 14.886 1.00193.46 1SG 763 ATOM 763 CA PHE 96 34.608 45.333 15.875 1.00193.46 1SG 764 ATOM 764 CB PHE 96 34.294 44.935 17.329 1.00193.46 1SG 765 ATOM 765 CG PHE 96 32.900 45.356 17.641 1.00193.46 1SG 766 ATOM 766 CD1 PHE 96 31.844 44.516 17.380 1.00193.46 1SG 767 ATOM 767 CD2 PHE 96 32.650 46.592 18.194 1.00193.46 1SG 768 ATOM 768 CE1 PHE 96 30.559 44.906 17.671 1.00193.46 1SG 769 ATOM 769 CE2 PHE 96 31.365 46.984 18.485 1.00193.46 1SG 770 ATOM 770 CZ PHE 96 30.314 46.140 18.223 1.00193.46 1SG 771 ATOM 771 C PHE 96 36.053 45.040 15.656 1.00193.46 1SG 772 ATOM 772 O PHE 96 36.781 45.815 15.039 1.00193.46 1SG 773 ATOM 773 N ARG 97 36.483 43.871 16.164 1.00151.83 1SG 774 ATOM 774 CA ARG 97 37.839 43.411 16.128 1.00151.83 1SG 775 ATOM 775 CB ARG 97 37.975 41.963 16.629 1.00151.83 1SG 776 ATOM 776 CG ARG 97 39.400 41.408 16.616 1.00151.83 1SG 777 ATOM 777 CD ARG 97 39.453 39.925 16.992 1.00151.83 1SG 778 ATOM 778 NE ARG 97 40.866 39.468 16.878 1.00151.83 1SG 779 ATOM 779 CZ ARG 97 41.209 38.228 17.332 1.00151.83 1SG 780 ATOM 780 NH1 ARG 97 40.260 37.424 17.895 1.00151.83 1SG 781 ATOM 781 NH2 ARG 97 42.498 37.791 17.226 1.00151.83 1SG 782 ATOM 782 C ARG 97 38.362 43.466 14.729 1.00151.83 1SG 783 ATOM 783 O ARG 97 37.612 43.451 13.755 1.00151.83 1SG 784 ATOM 784 N TYR 98 39.703 43.560 14.628 1.00115.03 1SG 785 ATOM 785 CA TYR 98 40.434 43.654 13.397 1.00115.03 1SG 786 ATOM 786 CB TYR 98 41.953 43.574 13.635 1.00115.03 1SG 787 ATOM 787 CG TYR 98 42.663 43.481 12.329 1.00115.03 1SG 788 ATOM 788 CD1 TYR 98 43.023 44.615 11.639 1.00115.03 1SG 789 ATOM 789 CD2 TYR 98 42.973 42.250 11.801 1.00115.03 1SG 790 ATOM 790 CE1 TYR 98 43.682 44.519 10.436 1.00115.03 1SG 791 ATOM 791 CE2 TYR 98 43.632 42.147 10.599 1.00115.03 1SG 792 ATOM 792 CZ TYR 98 43.987 43.284 9.915 1.00115.03 1SG 793 ATOM 793 OH TYR 98 44.664 43.184 8.681 1.00115.03 1SG 794 ATOM 794 C TYR 98 40.046 42.512 12.521 1.00115.03 1SG 795 ATOM 795 O TYR 98 39.976 41.378 12.993 1.00115.03 1SG 796 ATOM 796 N GLU 99 39.752 42.835 11.235 1.00331.78 1SG 797 ATOM 797 CA GLU 99 39.383 41.951 10.159 1.00331.78 1SG 798 ATOM 798 CB GLU 99 39.370 40.454 10.517 1.00331.78 1SG 799 ATOM 799 CG GLU 99 39.412 39.512 9.322 1.00331.78 1SG 800 ATOM 800 CD GLU 99 40.039 38.215 9.813 1.00331.78 1SG 801 ATOM 801 OE1 GLU 99 40.762 38.268 10.843 1.00331.78 1SG 802 ATOM 802 OE2 GLU 99 39.807 37.156 9.171 1.00331.78 1SG 803 ATOM 803 C GLU 99 38.024 42.397 9.725 1.00331.78 1SG 804 ATOM 804 O GLU 99 37.488 43.337 10.306 1.00331.78 1SG 805 ATOM 805 N LYS 100 37.443 41.791 8.666 1.00104.61 1SG 806 ATOM 806 CA LYS 100 36.116 42.207 8.295 1.00104.61 1SG 807 ATOM 807 CB LYS 100 35.931 42.534 6.803 1.00104.61 1SG 808 ATOM 808 CG LYS 100 36.517 43.899 6.435 1.00104.61 1SG 809 ATOM 809 CD LYS 100 36.396 44.264 4.956 1.00104.61 1SG 810 ATOM 810 CE LYS 100 36.717 45.735 4.678 1.00104.61 1SG 811 ATOM 811 NZ LYS 100 36.464 46.054 3.256 1.00104.61 1SG 812 ATOM 812 C LYS 100 35.159 41.127 8.673 1.00104.61 1SG 813 ATOM 813 O LYS 100 35.180 40.013 8.152 1.00104.61 1SG 814 ATOM 814 N PRO 101 34.354 41.478 9.637 1.00163.22 1SG 815 ATOM 815 CA PRO 101 33.396 40.542 10.170 1.00163.22 1SG 816 ATOM 816 CD PRO 101 34.891 42.338 10.678 1.00163.22 1SG 817 ATOM 817 CB PRO 101 33.228 40.918 11.642 1.00163.22 1SG 818 ATOM 818 CG PRO 101 34.497 41.691 12.005 1.00163.22 1SG 819 ATOM 819 C PRO 101 32.046 40.518 9.517 1.00163.22 1SG 820 ATOM 820 O PRO 101 31.654 41.501 8.892 1.00163.22 1SG 821 ATOM 821 N LEU 102 31.319 39.394 9.689 1.00139.54 1SG 822 ATOM 822 CA LEU 102 29.946 39.226 9.293 1.00139.54 1SG 823 ATOM 823 CB LEU 102 29.810 38.515 7.931 1.00139.54 1SG 824 ATOM 824 CG LEU 102 28.370 38.286 7.426 1.00139.54 1SG 825 ATOM 825 CD2 LEU 102 27.614 39.615 7.268 1.00139.54 1SG 826 ATOM 826 CD1 LEU 102 27.609 37.258 8.278 1.00139.54 1SG 827 ATOM 827 C LEU 102 29.426 38.300 10.346 1.00139.54 1SG 828 ATOM 828 O LEU 102 29.758 37.116 10.335 1.00139.54 1SG 829 ATOM 829 N HIS 103 28.611 38.793 11.298 1.00107.46 1SG 830 ATOM 830 CA HIS 103 28.209 37.869 12.322 1.00107.46 1SG 831 ATOM 831 ND1 HIS 103 30.868 39.558 13.709 1.00107.46 1SG 832 ATOM 832 CG HIS 103 30.156 38.396 13.901 1.00107.46 1SG 833 ATOM 833 CB HIS 103 28.670 38.273 13.724 1.00107.46 1SG 834 ATOM 834 NE2 HIS 103 32.315 38.044 14.457 1.00107.46 1SG 835 ATOM 835 CD2 HIS 103 31.056 37.480 14.354 1.00107.46 1SG 836 ATOM 836 CE1 HIS 103 32.152 39.292 14.060 1.00107.46 1SG 837 ATOM 837 C HIS 103 26.725 37.803 12.367 1.00107.46 1SG 838 ATOM 838 O HIS 103 26.065 38.631 13.002 1.00107.46 1SG 839 ATOM 839 N VAL 104 26.182 36.751 11.728 1.00 70.65 1SG 840 ATOM 840 CA VAL 104 24.769 36.623 11.614 1.00 70.65 1SG 841 ATOM 841 CB VAL 104 24.326 37.009 10.231 1.00 70.65 1SG 842 ATOM 842 CG1 VAL 104 22.802 36.876 10.096 1.00 70.65 1SG 843 ATOM 843 CG2 VAL 104 24.909 38.392 9.908 1.00 70.65 1SG 844 ATOM 844 C VAL 104 24.467 35.165 11.790 1.00 70.65 1SG 845 ATOM 845 O VAL 104 25.364 34.324 11.828 1.00 70.65 1SG 846 ATOM 846 N PRO 105 23.210 34.876 11.967 1.00160.37 1SG 847 ATOM 847 CA PRO 105 22.788 33.505 12.049 1.00160.37 1SG 848 ATOM 848 CD PRO 105 22.442 35.720 12.872 1.00160.37 1SG 849 ATOM 849 CB PRO 105 21.446 33.516 12.775 1.00160.37 1SG 850 ATOM 850 CG PRO 105 21.522 34.773 13.655 1.00160.37 1SG 851 ATOM 851 C PRO 105 22.728 32.816 10.706 1.00160.37 1SG 852 ATOM 852 O PRO 105 22.757 33.493 9.679 1.00160.37 1SG 853 ATOM 853 N ARG 106 22.645 31.464 10.706 1.00143.97 1SG 854 ATOM 854 CA ARG 106 22.562 30.609 9.543 1.00143.97 1SG 855 ATOM 855 CB ARG 106 23.366 29.311 9.702 1.00143.97 1SG 856 ATOM 856 CG ARG 106 22.853 28.467 10.871 1.00143.97 1SG 857 ATOM 857 CD ARG 106 23.638 27.181 11.123 1.00143.97 1SG 858 ATOM 858 NE ARG 106 22.986 26.509 12.282 1.00143.97 1SG 859 ATOM 859 CZ ARG 106 23.026 25.151 12.390 1.00143.97 1SG 860 ATOM 860 NH1 ARG 106 23.692 24.420 11.450 1.00143.97 1SG 861 ATOM 861 NH2 ARG 106 22.354 24.525 13.401 1.00143.97 1SG 862 ATOM 862 C ARG 106 21.133 30.193 9.480 1.00143.97 1SG 863 ATOM 863 O ARG 106 20.300 30.762 10.184 1.00143.97 1SG 864 ATOM 864 N ARG 107 20.808 29.192 8.635 1.00143.64 1SG 865 ATOM 865 CA ARG 107 19.426 28.830 8.526 1.00143.64 1SG 866 ATOM 866 CB ARG 107 19.097 27.679 7.552 1.00143.64 1SG 867 ATOM 867 CG ARG 107 19.441 27.915 6.080 1.00143.64 1SG 868 ATOM 868 CD ARG 107 20.821 27.404 5.653 1.00143.64 1SG 869 ATOM 869 NE ARG 107 21.904 28.317 6.125 1.00143.64 1SG 870 ATOM 870 CZ ARG 107 23.182 27.832 6.102 1.00143.64 1SG 871 ATOM 871 NH1 ARG 107 23.379 26.519 5.817 1.00143.64 1SG 872 ATOM 872 NH2 ARG 107 24.275 28.609 6.349 1.00143.64 1SG 873 ATOM 873 C ARG 107 18.931 28.414 9.886 1.00143.64 1SG 874 ATOM 874 O ARG 107 17.845 28.828 10.290 1.00143.64 1SG 875 ATOM 875 N PRO 108 19.665 27.610 10.614 1.00130.68 1SG 876 ATOM 876 CA PRO 108 19.211 27.201 11.919 1.00130.68 1SG 877 ATOM 877 CD PRO 108 20.490 26.589 9.998 1.00130.68 1SG 878 ATOM 878 CB PRO 108 20.013 25.967 12.294 1.00130.68 1SG 879 ATOM 879 CG PRO 108 20.391 25.382 10.934 1.00130.68 1SG 880 ATOM 880 C PRO 108 19.317 28.254 12.970 1.00130.68 1SG 881 ATOM 881 O PRO 108 18.600 28.163 13.965 1.00130.68 1SG 882 ATOM 882 N GLY 109 20.189 29.262 12.789 1.00 32.55 1SG 883 ATOM 883 CA GLY 109 20.350 30.200 13.857 1.00 32.55 1SG 884 ATOM 884 C GLY 109 21.699 30.006 14.488 1.00 32.55 1SG 885 ATOM 885 O GLY 109 22.098 30.796 15.343 1.00 32.55 1SG 886 ATOM 886 N ARG 110 22.457 28.958 14.102 1.00108.77 1SG 887 ATOM 887 CA ARG 110 23.761 28.858 14.699 1.00108.77 1SG 888 ATOM 888 CB ARG 110 24.564 27.568 14.425 1.00108.77 1SG 889 ATOM 889 CG ARG 110 24.243 26.406 15.370 1.00108.77 1SG 890 ATOM 890 CD ARG 110 25.359 25.354 15.425 1.00108.77 1SG 891 ATOM 891 NE ARG 110 25.086 24.456 16.584 1.00108.77 1SG 892 ATOM 892 CZ ARG 110 24.316 23.340 16.431 1.00108.77 1SG 893 ATOM 893 NH1 ARG 110 23.839 22.998 15.198 1.00108.77 1SG 894 ATOM 894 NH2 ARG 110 24.020 22.570 17.518 1.00108.77 1SG 895 ATOM 895 C ARG 110 24.560 30.014 14.201 1.00108.77 1SG 896 ATOM 896 O ARG 110 24.237 30.610 13.174 1.00108.77 1SG 897 ATOM 897 N VAL 111 25.620 30.377 14.947 1.00 49.82 1SG 898 ATOM 898 CA VAL 111 26.388 31.532 14.597 1.00 49.82 1SG 899 ATOM 899 CB VAL 111 27.445 31.897 15.602 1.00 49.82 1SG 900 ATOM 900 CG1 VAL 111 28.181 33.151 15.093 1.00 49.82 1SG 901 ATOM 901 CG2 VAL 111 26.830 32.000 17.003 1.00 49.82 1SG 902 ATOM 902 C VAL 111 27.151 31.222 13.351 1.00 49.82 1SG 903 ATOM 903 O VAL 111 27.705 30.134 13.197 1.00 49.82 1SG 904 ATOM 904 N MET 112 27.170 32.185 12.411 1.00 76.84 1SG 905 ATOM 905 CA MET 112 27.996 32.056 11.254 1.00 76.84 1SG 906 ATOM 906 CB MET 112 27.267 31.840 9.916 1.00 76.84 1SG 907 ATOM 907 CG MET 112 26.817 30.393 9.710 1.00 76.84 1SG 908 ATOM 908 SD MET 112 26.354 29.973 8.005 1.00 76.84 1SG 909 ATOM 909 CE MET 112 26.324 28.188 8.335 1.00 76.84 1SG 910 ATOM 910 C MET 112 28.757 33.321 11.168 1.00 76.84 1SG 911 ATOM 911 O MET 112 28.244 34.391 11.495 1.00 76.84 1SG 912 ATOM 912 N PHE 113 30.025 33.220 10.749 1.00 65.01 1SG 913 ATOM 913 CA PHE 113 30.822 34.399 10.736 1.00 65.01 1SG 914 ATOM 914 CB PHE 113 31.700 34.467 11.992 1.00 65.01 1SG 915 ATOM 915 CG PHE 113 32.639 35.597 11.837 1.00 65.01 1SG 916 ATOM 916 CD1 PHE 113 32.156 36.864 11.645 1.00 65.01 1SG 917 ATOM 917 CD2 PHE 113 33.994 35.391 11.925 1.00 65.01 1SG 918 ATOM 918 CE1 PHE 113 33.029 37.908 11.512 1.00 65.01 1SG 919 ATOM 919 CE2 PHE 113 34.866 36.442 11.794 1.00 65.01 1SG 920 ATOM 920 CZ PHE 113 34.385 37.708 11.583 1.00 65.01 1SG 921 ATOM 921 C PHE 113 31.694 34.375 9.525 1.00 65.01 1SG 922 ATOM 922 O PHE 113 32.187 33.325 9.116 1.00 65.01 1SG 923 ATOM 923 N VAL 114 31.878 35.555 8.903 1.00 45.17 1SG 924 ATOM 924 CA VAL 114 32.765 35.672 7.787 1.00 45.17 1SG 925 ATOM 925 CB VAL 114 32.187 36.439 6.630 1.00 45.17 1SG 926 ATOM 926 CG1 VAL 114 33.284 36.643 5.572 1.00 45.17 1SG 927 ATOM 927 CG2 VAL 114 30.949 35.689 6.110 1.00 45.17 1SG 928 ATOM 928 C VAL 114 33.906 36.482 8.308 1.00 45.17 1SG 929 ATOM 929 O VAL 114 33.703 37.575 8.836 1.00 45.17 1SG 930 ATOM 930 N ASP 115 35.140 35.955 8.196 1.00 91.77 1SG 931 ATOM 931 CA ASP 115 36.265 36.670 8.724 1.00 91.77 1SG 932 ATOM 932 CB ASP 115 36.981 35.885 9.832 1.00 91.77 1SG 933 ATOM 933 CG ASP 115 37.603 36.889 10.783 1.00 91.77 1SG 934 ATOM 934 OD1 ASP 115 37.399 38.111 10.555 1.00 91.77 1SG 935 ATOM 935 OD2 ASP 115 38.278 36.455 11.754 1.00 91.77 1SG 936 ATOM 936 C ASP 115 37.243 36.804 7.598 1.00 91.77 1SG 937 ATOM 937 O ASP 115 37.644 35.799 7.013 1.00 91.77 1SG 938 ATOM 938 N LEU 116 37.648 38.043 7.241 1.00 99.86 1SG 939 ATOM 939 CA LEU 116 38.541 38.181 6.120 1.00 99.86 1SG 940 ATOM 940 CB LEU 116 38.102 39.273 5.127 1.00 99.86 1SG 941 ATOM 941 CG LEU 116 39.121 39.541 4.001 1.00 99.86 1SG 942 ATOM 942 CD2 LEU 116 38.793 40.845 3.255 1.00 99.86 1SG 943 ATOM 943 CD1 LEU 116 39.275 38.332 3.065 1.00 99.86 1SG 944 ATOM 944 C LEU 116 39.912 38.575 6.573 1.00 99.86 1SG 945 ATOM 945 O LEU 116 40.203 39.763 6.713 1.00 99.86 1SG 946 ATOM 946 N SER 117 40.797 37.577 6.785 1.00223.14 1SG 947 ATOM 947 CA SER 117 42.166 37.820 7.156 1.00223.14 1SG 948 ATOM 948 CB SER 117 42.370 38.958 8.178 1.00223.14 1SG 949 ATOM 949 OG SER 117 43.751 39.185 8.416 1.00223.14 1SG 950 ATOM 950 C SER 117 42.672 36.550 7.767 1.00223.14 1SG 951 ATOM 951 O SER 117 41.953 35.554 7.818 1.00223.14 1SG 952 ATOM 952 N GLU 118 43.938 36.542 8.231 1.00 99.50 1SG 953 ATOM 953 CA GLU 118 44.455 35.361 8.858 1.00 99.50 1SG 954 ATOM 954 CB GLU 118 45.702 34.756 8.188 1.00 99.50 1SG 955 ATOM 955 CG GLU 118 46.942 35.649 8.216 1.00 99.50 1SG 956 ATOM 956 CD GLU 118 48.070 34.871 7.550 1.00 99.50 1SG 957 ATOM 957 OE1 GLU 118 47.820 33.706 7.140 1.00 99.50 1SG 958 ATOM 958 OE2 GLU 118 49.195 35.428 7.443 1.00 99.50 1SG 959 ATOM 959 C GLU 118 44.820 35.714 10.263 1.00 99.50 1SG 960 ATOM 960 O GLU 118 44.820 36.882 10.648 1.00 99.50 1SG 961 ATOM 961 N VAL 119 45.122 34.683 11.074 1.00 17.26 1SG 962 ATOM 962 CA VAL 119 45.435 34.874 12.458 1.00 17.26 1SG 963 ATOM 963 CB VAL 119 45.747 33.586 13.162 1.00 17.26 1SG 964 ATOM 964 CG1 VAL 119 46.177 33.907 14.604 1.00 17.26 1SG 965 ATOM 965 CG2 VAL 119 44.521 32.664 13.064 1.00 17.26 1SG 966 ATOM 966 C VAL 119 46.645 35.740 12.568 1.00 17.26 1SG 967 ATOM 967 O VAL 119 46.676 36.665 13.378 1.00 17.26 1SG 968 ATOM 968 N ARG 120 47.677 35.468 11.747 1.00 86.67 1SG 969 ATOM 969 CA ARG 120 48.878 36.246 11.827 1.00 86.67 1SG 970 ATOM 970 CB ARG 120 50.049 35.650 11.027 1.00 86.67 1SG 971 ATOM 971 CG ARG 120 50.506 34.274 11.518 1.00 86.67 1SG 972 ATOM 972 CD ARG 120 51.210 34.292 12.876 1.00 86.67 1SG 973 ATOM 973 NE ARG 120 51.588 32.885 13.194 1.00 86.67 1SG 974 ATOM 974 CZ ARG 120 51.983 32.544 14.456 1.00 86.67 1SG 975 ATOM 975 NH1 ARG 120 51.993 33.482 15.447 1.00 86.67 1SG 976 ATOM 976 NH2 ARG 120 52.364 31.261 14.726 1.00 86.67 1SG 977 ATOM 977 C ARG 120 48.591 37.622 11.236 1.00 86.67 1SG 978 ATOM 978 O ARG 120 47.697 38.334 11.766 1.00 86.67 1SG 979 ATOM 979 OXT ARG 120 49.274 37.981 10.240 1.00 86.67 1SG 980 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.574 REMARK SCORE 0.574 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 13 PARENT 1GEF_A ATOM 1 N TYR 14 22.381 23.430 1.320 1.00 81.24 1SG 2 ATOM 2 CA TYR 14 21.498 24.614 1.449 1.00 81.24 1SG 3 ATOM 3 CB TYR 14 20.168 24.353 0.725 1.00 81.24 1SG 4 ATOM 4 CG TYR 14 19.312 25.562 0.871 1.00 81.24 1SG 5 ATOM 5 CD1 TYR 14 18.543 25.743 1.996 1.00 81.24 1SG 6 ATOM 6 CD2 TYR 14 19.288 26.528 -0.109 1.00 81.24 1SG 7 ATOM 7 CE1 TYR 14 17.746 26.860 2.114 1.00 81.24 1SG 8 ATOM 8 CE2 TYR 14 18.494 27.646 0.006 1.00 81.24 1SG 9 ATOM 9 CZ TYR 14 17.730 27.823 1.132 1.00 81.24 1SG 10 ATOM 10 OH TYR 14 16.913 28.966 1.265 1.00 81.24 1SG 11 ATOM 11 C TYR 14 21.217 24.885 2.892 1.00 81.24 1SG 12 ATOM 12 O TYR 14 21.399 26.003 3.372 1.00 81.24 1SG 13 ATOM 13 N ALA 15 20.773 23.849 3.629 1.00 15.21 1SG 14 ATOM 14 CA ALA 15 20.480 24.008 5.022 1.00 15.21 1SG 15 ATOM 15 CB ALA 15 19.940 22.720 5.666 1.00 15.21 1SG 16 ATOM 16 C ALA 15 21.759 24.370 5.698 1.00 15.21 1SG 17 ATOM 17 O ALA 15 21.791 25.184 6.620 1.00 15.21 1SG 18 ATOM 18 N SER 16 22.862 23.757 5.241 1.00 53.53 1SG 19 ATOM 19 CA SER 16 24.136 24.019 5.833 1.00 53.53 1SG 20 ATOM 20 CB SER 16 25.276 23.272 5.123 1.00 53.53 1SG 21 ATOM 21 OG SER 16 26.518 23.563 5.744 1.00 53.53 1SG 22 ATOM 22 C SER 16 24.398 25.483 5.689 1.00 53.53 1SG 23 ATOM 23 O SER 16 24.915 26.121 6.604 1.00 53.53 1SG 24 ATOM 24 N LEU 17 24.022 26.056 4.535 1.00 31.38 1SG 25 ATOM 25 CA LEU 17 24.268 27.445 4.297 1.00 31.38 1SG 26 ATOM 26 CB LEU 17 23.736 27.930 2.934 1.00 31.38 1SG 27 ATOM 27 CG LEU 17 24.395 27.272 1.710 1.00 31.38 1SG 28 ATOM 28 CD2 LEU 17 25.927 27.378 1.770 1.00 31.38 1SG 29 ATOM 29 CD1 LEU 17 23.807 27.833 0.405 1.00 31.38 1SG 30 ATOM 30 C LEU 17 23.517 28.249 5.309 1.00 31.38 1SG 31 ATOM 31 O LEU 17 24.062 29.169 5.915 1.00 31.38 1SG 32 ATOM 32 N ILE 18 22.238 27.890 5.533 1.00 78.75 1SG 33 ATOM 33 CA ILE 18 21.392 28.668 6.387 1.00 78.75 1SG 34 ATOM 34 CB ILE 18 19.961 28.205 6.327 1.00 78.75 1SG 35 ATOM 35 CG2 ILE 18 19.782 26.955 7.200 1.00 78.75 1SG 36 ATOM 36 CG1 ILE 18 19.016 29.351 6.699 1.00 78.75 1SG 37 ATOM 37 CD1 ILE 18 17.574 29.052 6.305 1.00 78.75 1SG 38 ATOM 38 C ILE 18 21.925 28.616 7.788 1.00 78.75 1SG 39 ATOM 39 O ILE 18 21.960 29.626 8.491 1.00 78.75 1SG 40 ATOM 40 N VAL 19 22.361 27.424 8.233 1.00 27.43 1SG 41 ATOM 41 CA VAL 19 22.930 27.256 9.538 1.00 27.43 1SG 42 ATOM 42 CB VAL 19 23.279 25.827 9.836 1.00 27.43 1SG 43 ATOM 43 CG1 VAL 19 23.986 25.767 11.202 1.00 27.43 1SG 44 ATOM 44 CG2 VAL 19 21.997 24.983 9.752 1.00 27.43 1SG 45 ATOM 45 C VAL 19 24.206 28.030 9.565 1.00 27.43 1SG 46 ATOM 46 O VAL 19 24.583 28.609 10.582 1.00 27.43 1SG 47 ATOM 47 N ASP 20 24.888 28.066 8.408 1.00 74.44 1SG 48 ATOM 48 CA ASP 20 26.178 28.670 8.257 1.00 74.44 1SG 49 ATOM 49 CB ASP 20 26.675 28.591 6.800 1.00 74.44 1SG 50 ATOM 50 CG ASP 20 28.124 29.056 6.720 1.00 74.44 1SG 51 ATOM 51 OD1 ASP 20 28.697 29.430 7.778 1.00 74.44 1SG 52 ATOM 52 OD2 ASP 20 28.681 29.037 5.590 1.00 74.44 1SG 53 ATOM 53 C ASP 20 26.099 30.116 8.632 1.00 74.44 1SG 54 ATOM 54 O ASP 20 27.024 30.644 9.248 1.00 74.44 1SG 55 ATOM 55 N GLY 21 24.988 30.798 8.295 1.00 44.46 1SG 56 ATOM 56 CA GLY 21 24.940 32.210 8.549 1.00 44.46 1SG 57 ATOM 57 C GLY 21 25.122 32.460 10.012 1.00 44.46 1SG 58 ATOM 58 O GLY 21 25.948 33.286 10.403 1.00 44.46 1SG 59 ATOM 59 N ARG 22 24.360 31.754 10.866 1.00263.58 1SG 60 ATOM 60 CA ARG 22 24.548 31.935 12.274 1.00263.58 1SG 61 ATOM 61 CB ARG 22 24.091 33.307 12.797 1.00263.58 1SG 62 ATOM 62 CG ARG 22 24.307 33.468 14.302 1.00263.58 1SG 63 ATOM 63 CD ARG 22 23.935 34.847 14.855 1.00263.58 1SG 64 ATOM 64 NE ARG 22 24.179 34.796 16.324 1.00263.58 1SG 65 ATOM 65 CZ ARG 22 23.838 35.846 17.125 1.00263.58 1SG 66 ATOM 66 NH1 ARG 22 23.304 36.978 16.578 1.00263.58 1SG 67 ATOM 67 NH2 ARG 22 24.037 35.764 18.474 1.00263.58 1SG 68 ATOM 68 C ARG 22 23.729 30.898 12.955 1.00263.58 1SG 69 ATOM 69 O ARG 22 22.593 30.639 12.554 1.00263.58 1SG 70 ATOM 70 N LYS 23 24.273 30.277 14.020 1.00244.06 1SG 71 ATOM 71 CA LYS 23 23.429 29.289 14.599 1.00244.06 1SG 72 ATOM 72 CB LYS 23 24.084 28.000 15.108 1.00244.06 1SG 73 ATOM 73 CG LYS 23 22.987 27.127 15.721 1.00244.06 1SG 74 ATOM 74 CD LYS 23 23.303 25.654 15.945 1.00244.06 1SG 75 ATOM 75 CE LYS 23 22.247 25.000 16.841 1.00244.06 1SG 76 ATOM 76 NZ LYS 23 20.901 25.515 16.498 1.00244.06 1SG 77 ATOM 77 C LYS 23 22.670 29.866 15.731 1.00244.06 1SG 78 ATOM 78 O LYS 23 22.949 29.609 16.907 1.00244.06 1SG 79 ATOM 79 N VAL 24 21.697 30.703 15.373 1.00 99.11 1SG 80 ATOM 80 CA VAL 24 20.682 31.137 16.272 1.00 99.11 1SG 81 ATOM 81 CB VAL 24 20.665 32.615 16.496 1.00 99.11 1SG 82 ATOM 82 CG1 VAL 24 19.494 32.947 17.438 1.00 99.11 1SG 83 ATOM 83 CG2 VAL 24 22.039 33.033 17.049 1.00 99.11 1SG 84 ATOM 84 C VAL 24 19.514 30.787 15.436 1.00 99.11 1SG 85 ATOM 85 O VAL 24 18.354 31.039 15.759 1.00 99.11 1SG 86 ATOM 86 N TRP 25 19.874 30.140 14.308 1.00134.07 1SG 87 ATOM 87 CA TRP 25 18.985 29.686 13.293 1.00134.07 1SG 88 ATOM 88 CB TRP 25 19.528 29.846 11.860 1.00134.07 1SG 89 ATOM 89 CG TRP 25 19.217 31.143 11.165 1.00134.07 1SG 90 ATOM 90 CD2 TRP 25 20.160 31.933 10.432 1.00134.07 1SG 91 ATOM 91 CD1 TRP 25 18.026 31.795 11.089 1.00134.07 1SG 92 ATOM 92 NE1 TRP 25 18.163 32.951 10.363 1.00134.07 1SG 93 ATOM 93 CE2 TRP 25 19.473 33.048 9.950 1.00134.07 1SG 94 ATOM 94 CE3 TRP 25 21.488 31.746 10.181 1.00134.07 1SG 95 ATOM 95 CZ2 TRP 25 20.112 33.999 9.208 1.00134.07 1SG 96 ATOM 96 CZ3 TRP 25 22.128 32.705 9.430 1.00134.07 1SG 97 ATOM 97 CH2 TRP 25 21.452 33.809 8.955 1.00134.07 1SG 98 ATOM 98 C TRP 25 18.787 28.232 13.430 1.00134.07 1SG 99 ATOM 99 O TRP 25 19.738 27.455 13.498 1.00134.07 1SG 100 ATOM 100 N GLU 26 17.515 27.825 13.504 1.00 66.27 1SG 101 ATOM 101 CA GLU 26 17.299 26.434 13.369 1.00 66.27 1SG 102 ATOM 102 CB GLU 26 16.639 25.725 14.563 1.00 66.27 1SG 103 ATOM 103 CG GLU 26 17.606 25.581 15.740 1.00 66.27 1SG 104 ATOM 104 CD GLU 26 17.123 24.446 16.630 1.00 66.27 1SG 105 ATOM 105 OE1 GLU 26 16.958 23.311 16.099 1.00 66.27 1SG 106 ATOM 106 OE2 GLU 26 16.920 24.689 17.845 1.00 66.27 1SG 107 ATOM 107 C GLU 26 16.428 26.325 12.178 1.00 66.27 1SG 108 ATOM 108 O GLU 26 15.371 26.951 12.100 1.00 66.27 1SG 109 ATOM 109 N ILE 27 16.888 25.548 11.188 1.00 93.77 1SG 110 ATOM 110 CA ILE 27 16.104 25.401 10.013 1.00 93.77 1SG 111 ATOM 111 CB ILE 27 16.919 25.313 8.747 1.00 93.77 1SG 112 ATOM 112 CG2 ILE 27 17.912 24.140 8.860 1.00 93.77 1SG 113 ATOM 113 CG1 ILE 27 15.989 25.274 7.518 1.00 93.77 1SG 114 ATOM 114 CD1 ILE 27 16.700 25.481 6.179 1.00 93.77 1SG 115 ATOM 115 C ILE 27 15.352 24.141 10.226 1.00 93.77 1SG 116 ATOM 116 O ILE 27 15.931 23.073 10.417 1.00 93.77 1SG 117 ATOM 117 N ARG 28 14.015 24.244 10.256 1.00 98.01 1SG 118 ATOM 118 CA ARG 28 13.311 23.040 10.531 1.00 98.01 1SG 119 ATOM 119 CB ARG 28 12.165 23.193 11.548 1.00 98.01 1SG 120 ATOM 120 CG ARG 28 11.619 21.845 12.026 1.00 98.01 1SG 121 ATOM 121 CD ARG 28 10.467 21.940 13.029 1.00 98.01 1SG 122 ATOM 122 NE ARG 28 10.124 20.541 13.411 1.00 98.01 1SG 123 ATOM 123 CZ ARG 28 9.385 20.278 14.528 1.00 98.01 1SG 124 ATOM 124 NH1 ARG 28 8.916 21.300 15.303 1.00 98.01 1SG 125 ATOM 125 NH2 ARG 28 9.116 18.985 14.870 1.00 98.01 1SG 126 ATOM 126 C ARG 28 12.715 22.564 9.260 1.00 98.01 1SG 127 ATOM 127 O ARG 28 12.064 23.318 8.537 1.00 98.01 1SG 128 ATOM 128 N ARG 29 12.966 21.283 8.940 1.00 72.04 1SG 129 ATOM 129 CA ARG 29 12.343 20.731 7.784 1.00 72.04 1SG 130 ATOM 130 CB ARG 29 13.042 19.481 7.223 1.00 72.04 1SG 131 ATOM 131 CG ARG 29 14.458 19.733 6.707 1.00 72.04 1SG 132 ATOM 132 CD ARG 29 15.018 18.564 5.895 1.00 72.04 1SG 133 ATOM 133 NE ARG 29 15.122 17.385 6.800 1.00 72.04 1SG 134 ATOM 134 CZ ARG 29 15.157 16.126 6.274 1.00 72.04 1SG 135 ATOM 135 NH1 ARG 29 15.119 15.953 4.920 1.00 72.04 1SG 136 ATOM 136 NH2 ARG 29 15.223 15.042 7.101 1.00 72.04 1SG 137 ATOM 137 C ARG 29 11.021 20.281 8.283 1.00 72.04 1SG 138 ATOM 138 O ARG 29 10.947 19.562 9.278 1.00 72.04 1SG 139 ATOM 139 N ARG 30 9.930 20.702 7.627 1.00133.06 1SG 140 ATOM 140 CA ARG 30 8.678 20.260 8.148 1.00133.06 1SG 141 ATOM 141 CB ARG 30 7.462 21.041 7.630 1.00133.06 1SG 142 ATOM 142 CG ARG 30 6.177 20.689 8.380 1.00133.06 1SG 143 ATOM 143 CD ARG 30 5.025 21.653 8.112 1.00133.06 1SG 144 ATOM 144 NE ARG 30 3.885 21.223 8.971 1.00133.06 1SG 145 ATOM 145 CZ ARG 30 3.438 22.044 9.958 1.00133.06 1SG 146 ATOM 146 NH1 ARG 30 4.017 23.270 10.141 1.00133.06 1SG 147 ATOM 147 NH2 ARG 30 2.412 21.651 10.770 1.00133.06 1SG 148 ATOM 148 C ARG 30 8.532 18.839 7.740 1.00133.06 1SG 149 ATOM 149 O ARG 30 8.966 18.449 6.657 1.00133.06 1SG 150 ATOM 150 N LYS 31 7.929 18.010 8.609 1.00 77.83 1SG 151 ATOM 151 CA LYS 31 7.802 16.641 8.224 1.00 77.83 1SG 152 ATOM 152 CB LYS 31 7.185 15.737 9.306 1.00 77.83 1SG 153 ATOM 153 CG LYS 31 7.090 14.269 8.885 1.00 77.83 1SG 154 ATOM 154 CD LYS 31 6.813 13.306 10.043 1.00 77.83 1SG 155 ATOM 155 CE LYS 31 6.718 11.839 9.613 1.00 77.83 1SG 156 ATOM 156 NZ LYS 31 6.456 10.980 10.790 1.00 77.83 1SG 157 ATOM 157 C LYS 31 6.914 16.620 7.029 1.00 77.83 1SG 158 ATOM 158 O LYS 31 5.875 17.275 7.006 1.00 77.83 1SG 159 ATOM 159 N THR 32 7.361 15.896 5.988 1.00156.24 1SG 160 ATOM 160 CA THR 32 6.668 15.716 4.746 1.00156.24 1SG 161 ATOM 161 CB THR 32 5.438 14.845 4.824 1.00156.24 1SG 162 ATOM 162 OG1 THR 32 5.019 14.495 3.513 1.00156.24 1SG 163 ATOM 163 CG2 THR 32 4.302 15.581 5.549 1.00156.24 1SG 164 ATOM 164 C THR 32 6.318 17.045 4.159 1.00156.24 1SG 165 ATOM 165 O THR 32 5.389 17.135 3.355 1.00156.24 1SG 166 ATOM 166 N ARG 33 7.072 18.105 4.524 1.00127.33 1SG 167 ATOM 167 CA ARG 33 6.882 19.410 3.949 1.00127.33 1SG 168 ATOM 168 CB ARG 33 7.328 19.442 2.469 1.00127.33 1SG 169 ATOM 169 CG ARG 33 7.170 20.784 1.746 1.00127.33 1SG 170 ATOM 170 CD ARG 33 7.283 20.657 0.223 1.00127.33 1SG 171 ATOM 171 NE ARG 33 6.743 21.910 -0.378 1.00127.33 1SG 172 ATOM 172 CZ ARG 33 6.982 22.199 -1.690 1.00127.33 1SG 173 ATOM 173 NH1 ARG 33 7.717 21.341 -2.456 1.00127.33 1SG 174 ATOM 174 NH2 ARG 33 6.486 23.347 -2.237 1.00127.33 1SG 175 ATOM 175 C ARG 33 5.432 19.779 4.038 1.00127.33 1SG 176 ATOM 176 O ARG 33 4.842 20.260 3.072 1.00127.33 1SG 177 ATOM 177 N HIS 34 4.803 19.566 5.208 1.00109.15 1SG 178 ATOM 178 CA HIS 34 3.393 19.803 5.249 1.00109.15 1SG 179 ATOM 179 ND1 HIS 34 0.615 18.251 6.300 1.00109.15 1SG 180 ATOM 180 CG HIS 34 1.307 19.393 6.641 1.00109.15 1SG 181 ATOM 181 CB HIS 34 2.802 19.491 6.636 1.00109.15 1SG 182 ATOM 182 NE2 HIS 34 -0.907 19.784 6.827 1.00109.15 1SG 183 ATOM 183 CD2 HIS 34 0.363 20.319 6.960 1.00109.15 1SG 184 ATOM 184 CE1 HIS 34 -0.703 18.541 6.429 1.00109.15 1SG 185 ATOM 185 C HIS 34 3.083 21.237 4.926 1.00109.15 1SG 186 ATOM 186 O HIS 34 2.509 21.528 3.878 1.00109.15 1SG 187 ATOM 187 N ARG 35 3.468 22.176 5.814 1.00105.14 1SG 188 ATOM 188 CA ARG 35 3.192 23.572 5.599 1.00105.14 1SG 189 ATOM 189 CB ARG 35 3.334 24.397 6.885 1.00105.14 1SG 190 ATOM 190 CG ARG 35 2.308 23.977 7.938 1.00105.14 1SG 191 ATOM 191 CD ARG 35 0.887 23.900 7.373 1.00105.14 1SG 192 ATOM 192 NE ARG 35 0.010 23.287 8.410 1.00105.14 1SG 193 ATOM 193 CZ ARG 35 -1.195 22.757 8.051 1.00105.14 1SG 194 ATOM 194 NH1 ARG 35 -1.595 22.791 6.746 1.00105.14 1SG 195 ATOM 195 NH2 ARG 35 -2.001 22.187 8.994 1.00105.14 1SG 196 ATOM 196 C ARG 35 4.097 24.154 4.564 1.00105.14 1SG 197 ATOM 197 O ARG 35 3.657 24.839 3.641 1.00105.14 1SG 198 ATOM 198 N GLY 36 5.403 23.867 4.693 1.00 40.57 1SG 199 ATOM 199 CA GLY 36 6.392 24.413 3.813 1.00 40.57 1SG 200 ATOM 200 C GLY 36 7.565 23.519 3.987 1.00 40.57 1SG 201 ATOM 201 O GLY 36 7.617 22.744 4.941 1.00 40.57 1SG 202 ATOM 202 N PRO 37 8.488 23.559 3.079 1.00104.76 1SG 203 ATOM 203 CA PRO 37 9.622 22.705 3.238 1.00104.76 1SG 204 ATOM 204 CD PRO 37 8.178 23.820 1.684 1.00104.76 1SG 205 ATOM 205 CB PRO 37 10.318 22.677 1.881 1.00104.76 1SG 206 ATOM 206 CG PRO 37 9.183 22.971 0.886 1.00104.76 1SG 207 ATOM 207 C PRO 37 10.512 23.124 4.355 1.00104.76 1SG 208 ATOM 208 O PRO 37 11.084 22.253 5.008 1.00104.76 1SG 209 ATOM 209 N LEU 38 10.656 24.440 4.591 1.00 78.49 1SG 210 ATOM 210 CA LEU 38 11.572 24.846 5.610 1.00 78.49 1SG 211 ATOM 211 CB LEU 38 13.031 24.901 5.120 1.00 78.49 1SG 212 ATOM 212 CG LEU 38 13.717 23.568 4.751 1.00 78.49 1SG 213 ATOM 213 CD2 LEU 38 13.692 22.568 5.917 1.00 78.49 1SG 214 ATOM 214 CD1 LEU 38 15.147 23.832 4.255 1.00 78.49 1SG 215 ATOM 215 C LEU 38 11.247 26.241 6.024 1.00 78.49 1SG 216 ATOM 216 O LEU 38 10.685 27.041 5.271 1.00 78.49 1SG 217 ATOM 217 N GLY 39 11.615 26.563 7.272 1.00 45.36 1SG 218 ATOM 218 CA GLY 39 11.471 27.894 7.754 1.00 45.36 1SG 219 ATOM 219 C GLY 39 12.615 28.064 8.678 1.00 45.36 1SG 220 ATOM 220 O GLY 39 12.856 27.221 9.541 1.00 45.36 1SG 221 ATOM 221 N ILE 40 13.373 29.158 8.513 1.00 92.87 1SG 222 ATOM 222 CA ILE 40 14.451 29.301 9.432 1.00 92.87 1SG 223 ATOM 223 CB ILE 40 15.821 29.356 8.837 1.00 92.87 1SG 224 ATOM 224 CG2 ILE 40 16.005 30.721 8.150 1.00 92.87 1SG 225 ATOM 225 CG1 ILE 40 16.841 29.094 9.959 1.00 92.87 1SG 226 ATOM 226 CD1 ILE 40 18.235 28.732 9.463 1.00 92.87 1SG 227 ATOM 227 C ILE 40 14.239 30.565 10.171 1.00 92.87 1SG 228 ATOM 228 O ILE 40 13.844 31.583 9.600 1.00 92.87 1SG 229 ATOM 229 N VAL 41 14.455 30.502 11.494 1.00 54.08 1SG 230 ATOM 230 CA VAL 41 14.292 31.672 12.286 1.00 54.08 1SG 231 ATOM 231 CB VAL 41 13.190 31.542 13.298 1.00 54.08 1SG 232 ATOM 232 CG1 VAL 41 13.105 32.853 14.100 1.00 54.08 1SG 233 ATOM 233 CG2 VAL 41 11.890 31.142 12.582 1.00 54.08 1SG 234 ATOM 234 C VAL 41 15.547 31.854 13.066 1.00 54.08 1SG 235 ATOM 235 O VAL 41 15.953 30.966 13.814 1.00 54.08 1SG 236 ATOM 236 N SER 42 16.214 33.005 12.857 1.00 86.86 1SG 237 ATOM 237 CA SER 42 17.363 33.377 13.626 1.00 86.86 1SG 238 ATOM 238 CB SER 42 18.167 34.514 12.971 1.00 86.86 1SG 239 ATOM 239 OG SER 42 19.288 34.844 13.777 1.00 86.86 1SG 240 ATOM 240 C SER 42 16.785 33.896 14.896 1.00 86.86 1SG 241 ATOM 241 O SER 42 17.446 33.980 15.931 1.00 86.86 1SG 242 ATOM 242 N GLY 43 15.488 34.249 14.801 1.00 35.51 1SG 243 ATOM 243 CA GLY 43 14.703 34.818 15.849 1.00 35.51 1SG 244 ATOM 244 C GLY 43 14.445 36.228 15.432 1.00 35.51 1SG 245 ATOM 245 O GLY 43 13.319 36.716 15.524 1.00 35.51 1SG 246 ATOM 246 N GLY 44 15.508 36.927 14.985 1.00 31.95 1SG 247 ATOM 247 CA GLY 44 15.396 38.278 14.515 1.00 31.95 1SG 248 ATOM 248 C GLY 44 14.740 38.353 13.168 1.00 31.95 1SG 249 ATOM 249 O GLY 44 13.846 39.170 12.950 1.00 31.95 1SG 250 ATOM 250 N ARG 45 15.170 37.494 12.224 1.00 68.34 1SG 251 ATOM 251 CA ARG 45 14.687 37.607 10.883 1.00 68.34 1SG 252 ATOM 252 CB ARG 45 15.744 38.214 9.948 1.00 68.34 1SG 253 ATOM 253 CG ARG 45 15.144 38.682 8.627 1.00 68.34 1SG 254 ATOM 254 CD ARG 45 16.046 39.583 7.791 1.00 68.34 1SG 255 ATOM 255 NE ARG 45 15.198 39.995 6.646 1.00 68.34 1SG 256 ATOM 256 CZ ARG 45 14.954 39.066 5.686 1.00 68.34 1SG 257 ATOM 257 NH1 ARG 45 15.563 37.842 5.802 1.00 68.34 1SG 258 ATOM 258 NH2 ARG 45 14.115 39.340 4.652 1.00 68.34 1SG 259 ATOM 259 C ARG 45 14.333 36.234 10.419 1.00 68.34 1SG 260 ATOM 260 O ARG 45 14.700 35.244 11.050 1.00 68.34 1SG 261 ATOM 261 N LEU 46 13.560 36.128 9.322 1.00111.46 1SG 262 ATOM 262 CA LEU 46 13.190 34.803 8.937 1.00111.46 1SG 263 ATOM 263 CB LEU 46 11.720 34.456 9.158 1.00111.46 1SG 264 ATOM 264 CG LEU 46 11.358 34.369 10.642 1.00111.46 1SG 265 ATOM 265 CD2 LEU 46 10.024 33.639 10.849 1.00111.46 1SG 266 ATOM 266 CD1 LEU 46 11.432 35.749 11.310 1.00111.46 1SG 267 ATOM 267 C LEU 46 13.421 34.593 7.496 1.00111.46 1SG 268 ATOM 268 O LEU 46 13.463 35.540 6.715 1.00111.46 1SG 269 ATOM 269 N ILE 47 13.585 33.300 7.147 1.00 69.02 1SG 270 ATOM 270 CA ILE 47 13.744 32.866 5.804 1.00 69.02 1SG 271 ATOM 271 CB ILE 47 14.988 32.048 5.622 1.00 69.02 1SG 272 ATOM 272 CG2 ILE 47 14.975 31.442 4.211 1.00 69.02 1SG 273 ATOM 273 CG1 ILE 47 16.253 32.851 5.971 1.00 69.02 1SG 274 ATOM 274 CD1 ILE 47 17.531 32.014 5.967 1.00 69.02 1SG 275 ATOM 275 C ILE 47 12.618 31.939 5.500 1.00 69.02 1SG 276 ATOM 276 O ILE 47 12.566 30.836 6.039 1.00 69.02 1SG 277 ATOM 277 N GLY 48 11.680 32.342 4.625 1.00 66.59 1SG 278 ATOM 278 CA GLY 48 10.643 31.414 4.283 1.00 66.59 1SG 279 ATOM 279 C GLY 48 11.294 30.532 3.294 1.00 66.59 1SG 280 ATOM 280 O GLY 48 12.218 30.958 2.603 1.00 66.59 1SG 281 ATOM 281 N GLN 49 10.808 29.285 3.168 1.00147.21 1SG 282 ATOM 282 CA GLN 49 11.604 28.443 2.344 1.00147.21 1SG 283 ATOM 283 CB GLN 49 12.761 27.967 3.243 1.00147.21 1SG 284 ATOM 284 CG GLN 49 14.096 27.550 2.639 1.00147.21 1SG 285 ATOM 285 CD GLN 49 15.085 27.745 3.791 1.00147.21 1SG 286 ATOM 286 OE1 GLN 49 16.098 28.422 3.652 1.00147.21 1SG 287 ATOM 287 NE2 GLN 49 14.762 27.177 4.982 1.00147.21 1SG 288 ATOM 288 C GLN 49 10.768 27.277 1.884 1.00147.21 1SG 289 ATOM 289 O GLN 49 10.203 26.545 2.699 1.00147.21 1SG 290 ATOM 290 N ALA 50 10.628 27.076 0.557 1.00 72.56 1SG 291 ATOM 291 CA ALA 50 9.957 25.886 0.105 1.00 72.56 1SG 292 ATOM 292 CB ALA 50 8.714 26.157 -0.764 1.00 72.56 1SG 293 ATOM 293 C ALA 50 10.963 25.228 -0.767 1.00 72.56 1SG 294 ATOM 294 O ALA 50 11.143 25.641 -1.907 1.00 72.56 1SG 295 ATOM 295 N ASP 51 11.583 24.131 -0.293 1.00 89.67 1SG 296 ATOM 296 CA ASP 51 12.730 23.615 -0.990 1.00 89.67 1SG 297 ATOM 297 CB ASP 51 13.667 22.784 -0.100 1.00 89.67 1SG 298 ATOM 298 CG ASP 51 15.016 22.771 -0.807 1.00 89.67 1SG 299 ATOM 299 OD1 ASP 51 15.082 23.310 -1.945 1.00 89.67 1SG 300 ATOM 300 OD2 ASP 51 15.997 22.244 -0.216 1.00 89.67 1SG 301 ATOM 301 C ASP 51 12.379 22.801 -2.184 1.00 89.67 1SG 302 ATOM 302 O ASP 51 11.707 21.776 -2.103 1.00 89.67 1SG 303 ATOM 303 N LEU 52 12.836 23.278 -3.355 1.00103.79 1SG 304 ATOM 304 CA LEU 52 12.689 22.542 -4.572 1.00103.79 1SG 305 ATOM 305 CB LEU 52 11.329 22.743 -5.287 1.00103.79 1SG 306 ATOM 306 CG LEU 52 10.093 22.318 -4.447 1.00103.79 1SG 307 ATOM 307 CD2 LEU 52 8.887 21.936 -5.326 1.00103.79 1SG 308 ATOM 308 CD1 LEU 52 9.747 23.359 -3.365 1.00103.79 1SG 309 ATOM 309 C LEU 52 13.797 22.996 -5.472 1.00103.79 1SG 310 ATOM 310 O LEU 52 14.243 24.143 -5.416 1.00103.79 1SG 311 ATOM 311 N VAL 53 14.323 22.075 -6.292 1.00102.23 1SG 312 ATOM 312 CA VAL 53 15.313 22.456 -7.257 1.00102.23 1SG 313 ATOM 313 CB VAL 53 16.665 21.869 -6.962 1.00102.23 1SG 314 ATOM 314 CG1 VAL 53 16.529 20.338 -6.909 1.00102.23 1SG 315 ATOM 315 CG2 VAL 53 17.679 22.377 -8.003 1.00102.23 1SG 316 ATOM 316 C VAL 53 14.822 21.903 -8.558 1.00102.23 1SG 317 ATOM 317 O VAL 53 14.434 20.740 -8.631 1.00102.23 1SG 318 ATOM 318 N GLY 54 14.796 22.721 -9.627 1.00 61.48 1SG 319 ATOM 319 CA GLY 54 14.331 22.164 -10.868 1.00 61.48 1SG 320 ATOM 320 C GLY 54 14.441 23.211 -11.914 1.00 61.48 1SG 321 ATOM 321 O GLY 54 13.712 24.203 -11.872 1.00 61.48 1SG 322 ATOM 322 N VAL 55 15.207 22.893 -12.978 1.00 55.73 1SG 323 ATOM 323 CA VAL 55 15.701 23.826 -13.950 1.00 55.73 1SG 324 ATOM 324 CB VAL 55 16.229 23.162 -15.191 1.00 55.73 1SG 325 ATOM 325 CG1 VAL 55 16.658 24.257 -16.186 1.00 55.73 1SG 326 ATOM 326 CG2 VAL 55 17.349 22.184 -14.807 1.00 55.73 1SG 327 ATOM 327 C VAL 55 14.620 24.729 -14.408 1.00 55.73 1SG 328 ATOM 328 O VAL 55 14.853 25.935 -14.471 1.00 55.73 1SG 329 ATOM 329 N GLU 56 13.426 24.205 -14.749 1.00 63.44 1SG 330 ATOM 330 CA GLU 56 12.425 25.131 -15.190 1.00 63.44 1SG 331 ATOM 331 CB GLU 56 11.132 24.488 -15.713 1.00 63.44 1SG 332 ATOM 332 CG GLU 56 11.397 23.885 -17.097 1.00 63.44 1SG 333 ATOM 333 CD GLU 56 10.133 23.276 -17.679 1.00 63.44 1SG 334 ATOM 334 OE1 GLU 56 9.043 23.410 -17.062 1.00 63.44 1SG 335 ATOM 335 OE2 GLU 56 10.254 22.664 -18.774 1.00 63.44 1SG 336 ATOM 336 C GLU 56 12.165 26.081 -14.070 1.00 63.44 1SG 337 ATOM 337 O GLU 56 11.945 25.696 -12.924 1.00 63.44 1SG 338 ATOM 338 N GLY 57 12.204 27.376 -14.424 1.00 40.85 1SG 339 ATOM 339 CA GLY 57 12.219 28.474 -13.506 1.00 40.85 1SG 340 ATOM 340 C GLY 57 11.002 28.566 -12.653 1.00 40.85 1SG 341 ATOM 341 O GLY 57 11.127 28.921 -11.483 1.00 40.85 1SG 342 ATOM 342 N PRO 58 9.833 28.318 -13.154 1.00121.84 1SG 343 ATOM 343 CA PRO 58 8.662 28.533 -12.339 1.00121.84 1SG 344 ATOM 344 CD PRO 58 9.573 28.612 -14.548 1.00121.84 1SG 345 ATOM 345 CB PRO 58 7.508 28.790 -13.308 1.00121.84 1SG 346 ATOM 346 CG PRO 58 8.063 28.396 -14.688 1.00121.84 1SG 347 ATOM 347 C PRO 58 8.352 27.470 -11.337 1.00121.84 1SG 348 ATOM 348 O PRO 58 8.803 26.342 -11.522 1.00121.84 1SG 349 ATOM 349 N PHE 59 7.600 27.846 -10.272 1.00142.91 1SG 350 ATOM 350 CA PHE 59 7.108 26.997 -9.214 1.00142.91 1SG 351 ATOM 351 CB PHE 59 8.162 26.488 -8.211 1.00142.91 1SG 352 ATOM 352 CG PHE 59 8.474 25.067 -8.560 1.00142.91 1SG 353 ATOM 353 CD1 PHE 59 7.974 24.488 -9.704 1.00142.91 1SG 354 ATOM 354 CD2 PHE 59 9.200 24.273 -7.702 1.00142.91 1SG 355 ATOM 355 CE1 PHE 59 8.236 23.180 -10.031 1.00142.91 1SG 356 ATOM 356 CE2 PHE 59 9.468 22.961 -8.023 1.00142.91 1SG 357 ATOM 357 CZ PHE 59 8.987 22.406 -9.185 1.00142.91 1SG 358 ATOM 358 C PHE 59 5.998 27.680 -8.468 1.00142.91 1SG 359 ATOM 359 O PHE 59 5.603 28.795 -8.813 1.00142.91 1SG 360 ATOM 360 N SER 60 5.476 26.996 -7.417 1.00163.79 1SG 361 ATOM 361 CA SER 60 4.329 27.398 -6.637 1.00163.79 1SG 362 ATOM 362 CB SER 60 3.782 26.293 -5.718 1.00163.79 1SG 363 ATOM 363 OG SER 60 4.684 26.064 -4.646 1.00163.79 1SG 364 ATOM 364 C SER 60 4.655 28.569 -5.772 1.00163.79 1SG 365 ATOM 365 O SER 60 5.797 29.021 -5.717 1.00163.79 1SG 366 ATOM 366 N VAL 61 3.632 29.104 -5.069 1.00139.25 1SG 367 ATOM 367 CA VAL 61 3.878 30.303 -4.328 1.00139.25 1SG 368 ATOM 368 CB VAL 61 3.615 31.510 -5.164 1.00139.25 1SG 369 ATOM 369 CG1 VAL 61 3.774 32.761 -4.292 1.00139.25 1SG 370 ATOM 370 CG2 VAL 61 4.554 31.457 -6.376 1.00139.25 1SG 371 ATOM 371 C VAL 61 2.955 30.416 -3.158 1.00139.25 1SG 372 ATOM 372 O VAL 61 3.381 30.720 -2.044 1.00139.25 1SG 373 ATOM 373 N GLU 62 1.656 30.164 -3.388 1.00 88.23 1SG 374 ATOM 374 CA GLU 62 0.646 30.448 -2.412 1.00 88.23 1SG 375 ATOM 375 CB GLU 62 -0.767 30.059 -2.881 1.00 88.23 1SG 376 ATOM 376 CG GLU 62 -1.855 30.394 -1.857 1.00 88.23 1SG 377 ATOM 377 CD GLU 62 -3.200 29.963 -2.426 1.00 88.23 1SG 378 ATOM 378 OE1 GLU 62 -3.225 29.478 -3.589 1.00 88.23 1SG 379 ATOM 379 OE2 GLU 62 -4.223 30.118 -1.707 1.00 88.23 1SG 380 ATOM 380 C GLU 62 0.902 29.731 -1.134 1.00 88.23 1SG 381 ATOM 381 O GLU 62 0.775 30.324 -0.064 1.00 88.23 1SG 382 ATOM 382 N GLU 63 1.280 28.445 -1.187 1.00 38.27 1SG 383 ATOM 383 CA GLU 63 1.422 27.767 0.065 1.00 38.27 1SG 384 ATOM 384 CB GLU 63 1.720 26.266 -0.074 1.00 38.27 1SG 385 ATOM 385 CG GLU 63 1.612 25.527 1.264 1.00 38.27 1SG 386 ATOM 386 CD GLU 63 1.542 24.031 0.993 1.00 38.27 1SG 387 ATOM 387 OE1 GLU 63 1.663 23.634 -0.197 1.00 38.27 1SG 388 ATOM 388 OE2 GLU 63 1.360 23.265 1.976 1.00 38.27 1SG 389 ATOM 389 C GLU 63 2.526 28.402 0.850 1.00 38.27 1SG 390 ATOM 390 O GLU 63 2.392 28.611 2.056 1.00 38.27 1SG 391 ATOM 391 N LEU 64 3.644 28.746 0.183 1.00 48.05 1SG 392 ATOM 392 CA LEU 64 4.752 29.316 0.894 1.00 48.05 1SG 393 ATOM 393 CB LEU 64 5.995 29.552 0.016 1.00 48.05 1SG 394 ATOM 394 CG LEU 64 7.170 30.171 0.797 1.00 48.05 1SG 395 ATOM 395 CD2 LEU 64 8.310 30.592 -0.139 1.00 48.05 1SG 396 ATOM 396 CD1 LEU 64 7.643 29.239 1.929 1.00 48.05 1SG 397 ATOM 397 C LEU 64 4.365 30.639 1.461 1.00 48.05 1SG 398 ATOM 398 O LEU 64 4.704 30.961 2.598 1.00 48.05 1SG 399 ATOM 399 N LEU 65 3.636 31.451 0.677 1.00134.40 1SG 400 ATOM 400 CA LEU 65 3.251 32.748 1.147 1.00134.40 1SG 401 ATOM 401 CB LEU 65 2.467 33.558 0.107 1.00134.40 1SG 402 ATOM 402 CG LEU 65 1.834 34.837 0.694 1.00134.40 1SG 403 ATOM 403 CD2 LEU 65 0.985 35.560 -0.361 1.00134.40 1SG 404 ATOM 404 CD1 LEU 65 2.883 35.751 1.338 1.00134.40 1SG 405 ATOM 405 C LEU 65 2.363 32.601 2.337 1.00134.40 1SG 406 ATOM 406 O LEU 65 2.500 33.334 3.315 1.00134.40 1SG 407 ATOM 407 N ALA 66 1.417 31.648 2.283 1.00 28.35 1SG 408 ATOM 408 CA ALA 66 0.473 31.524 3.352 1.00 28.35 1SG 409 ATOM 409 CB ALA 66 -0.561 30.413 3.100 1.00 28.35 1SG 410 ATOM 410 C ALA 66 1.182 31.187 4.622 1.00 28.35 1SG 411 ATOM 411 O ALA 66 0.938 31.805 5.657 1.00 28.35 1SG 412 ATOM 412 N HIS 67 2.099 30.205 4.579 1.00 57.77 1SG 413 ATOM 413 CA HIS 67 2.760 29.824 5.791 1.00 57.77 1SG 414 ATOM 414 ND1 HIS 67 4.886 28.084 7.859 1.00 57.77 1SG 415 ATOM 415 CG HIS 67 3.748 27.928 7.095 1.00 57.77 1SG 416 ATOM 416 CB HIS 67 3.540 28.501 5.720 1.00 57.77 1SG 417 ATOM 417 NE2 HIS 67 3.465 26.879 9.075 1.00 57.77 1SG 418 ATOM 418 CD2 HIS 67 2.893 27.190 7.855 1.00 57.77 1SG 419 ATOM 419 CE1 HIS 67 4.661 27.438 9.030 1.00 57.77 1SG 420 ATOM 420 C HIS 67 3.691 30.917 6.182 1.00 57.77 1SG 421 ATOM 421 O HIS 67 3.955 31.133 7.361 1.00 57.77 1SG 422 ATOM 422 N GLN 68 4.205 31.641 5.179 1.00110.50 1SG 423 ATOM 423 CA GLN 68 5.148 32.700 5.375 1.00110.50 1SG 424 ATOM 424 CB GLN 68 5.436 33.385 4.028 1.00110.50 1SG 425 ATOM 425 CG GLN 68 6.420 34.546 4.066 1.00110.50 1SG 426 ATOM 426 CD GLN 68 6.561 35.026 2.635 1.00110.50 1SG 427 ATOM 427 OE1 GLN 68 7.046 36.119 2.348 1.00110.50 1SG 428 ATOM 428 NE2 GLN 68 6.118 34.147 1.696 1.00110.50 1SG 429 ATOM 429 C GLN 68 4.528 33.692 6.309 1.00110.50 1SG 430 ATOM 430 O GLN 68 5.181 34.173 7.234 1.00110.50 1SG 431 ATOM 431 N GLU 69 3.241 34.025 6.094 1.00 43.93 1SG 432 ATOM 432 CA GLU 69 2.606 34.973 6.963 1.00 43.93 1SG 433 ATOM 433 CB GLU 69 1.178 35.339 6.535 1.00 43.93 1SG 434 ATOM 434 CG GLU 69 0.528 36.348 7.487 1.00 43.93 1SG 435 ATOM 435 CD GLU 69 -0.970 36.362 7.226 1.00 43.93 1SG 436 ATOM 436 OE1 GLU 69 -1.407 35.687 6.256 1.00 43.93 1SG 437 ATOM 437 OE2 GLU 69 -1.699 37.037 8.001 1.00 43.93 1SG 438 ATOM 438 C GLU 69 2.452 34.410 8.346 1.00 43.93 1SG 439 ATOM 439 O GLU 69 2.849 35.040 9.325 1.00 43.93 1SG 440 ATOM 440 N LYS 70 1.881 33.193 8.466 1.00 36.14 1SG 441 ATOM 441 CA LYS 70 1.583 32.678 9.773 1.00 36.14 1SG 442 ATOM 442 CB LYS 70 0.744 31.387 9.772 1.00 36.14 1SG 443 ATOM 443 CG LYS 70 0.308 30.996 11.188 1.00 36.14 1SG 444 ATOM 444 CD LYS 70 -0.822 29.967 11.257 1.00 36.14 1SG 445 ATOM 445 CE LYS 70 -1.222 29.615 12.693 1.00 36.14 1SG 446 ATOM 446 NZ LYS 70 -2.378 28.692 12.695 1.00 36.14 1SG 447 ATOM 447 C LYS 70 2.834 32.414 10.539 1.00 36.14 1SG 448 ATOM 448 O LYS 70 2.932 32.754 11.717 1.00 36.14 1SG 449 ATOM 449 N HIS 71 3.838 31.817 9.880 1.00 88.51 1SG 450 ATOM 450 CA HIS 71 5.045 31.481 10.566 1.00 88.51 1SG 451 ATOM 451 ND1 HIS 71 8.076 30.386 11.300 1.00 88.51 1SG 452 ATOM 452 CG HIS 71 6.912 29.863 10.785 1.00 88.51 1SG 453 ATOM 453 CB HIS 71 6.014 30.563 9.805 1.00 88.51 1SG 454 ATOM 454 NE2 HIS 71 7.788 28.405 12.270 1.00 88.51 1SG 455 ATOM 455 CD2 HIS 71 6.752 28.651 11.387 1.00 88.51 1SG 456 ATOM 456 CE1 HIS 71 8.559 29.474 12.183 1.00 88.51 1SG 457 ATOM 457 C HIS 71 5.734 32.758 10.912 1.00 88.51 1SG 458 ATOM 458 O HIS 71 6.559 32.801 11.821 1.00 88.51 1SG 459 ATOM 459 N LEU 72 5.384 33.850 10.203 1.00307.52 1SG 460 ATOM 460 CA LEU 72 5.996 35.123 10.449 1.00307.52 1SG 461 ATOM 461 CB LEU 72 5.984 35.486 11.948 1.00307.52 1SG 462 ATOM 462 CG LEU 72 6.557 36.880 12.272 1.00307.52 1SG 463 ATOM 463 CD2 LEU 72 6.798 37.051 13.782 1.00307.52 1SG 464 ATOM 464 CD1 LEU 72 5.689 37.994 11.660 1.00307.52 1SG 465 ATOM 465 C LEU 72 7.406 35.113 9.940 1.00307.52 1SG 466 ATOM 466 O LEU 72 8.300 35.768 10.475 1.00307.52 1SG 467 ATOM 467 N ALA 73 7.630 34.357 8.853 1.00102.03 1SG 468 ATOM 468 CA ALA 73 8.907 34.362 8.222 1.00102.03 1SG 469 ATOM 469 CB ALA 73 9.438 32.977 7.826 1.00102.03 1SG 470 ATOM 470 C ALA 73 8.735 35.099 6.949 1.00102.03 1SG 471 ATOM 471 O ALA 73 7.636 35.210 6.415 1.00102.03 1SG 472 ATOM 472 N GLU 74 9.832 35.709 6.488 1.00249.34 1SG 473 ATOM 473 CA GLU 74 9.875 36.325 5.205 1.00249.34 1SG 474 ATOM 474 CB GLU 74 9.182 37.700 5.221 1.00249.34 1SG 475 ATOM 475 CG GLU 74 9.061 38.442 3.888 1.00249.34 1SG 476 ATOM 476 CD GLU 74 8.366 39.750 4.241 1.00249.34 1SG 477 ATOM 477 OE1 GLU 74 8.012 39.896 5.442 1.00249.34 1SG 478 ATOM 478 OE2 GLU 74 8.183 40.617 3.345 1.00249.34 1SG 479 ATOM 479 C GLU 74 11.346 36.471 5.013 1.00249.34 1SG 480 ATOM 480 O GLU 74 11.971 37.319 5.650 1.00249.34 1SG 481 ATOM 481 N GLU 75 11.950 35.639 4.140 1.00269.57 1SG 482 ATOM 482 CA GLU 75 13.379 35.663 4.011 1.00269.57 1SG 483 ATOM 483 CB GLU 75 14.035 34.426 3.352 1.00269.57 1SG 484 ATOM 484 CG GLU 75 15.557 34.376 3.566 1.00269.57 1SG 485 ATOM 485 CD GLU 75 16.242 33.489 2.541 1.00269.57 1SG 486 ATOM 486 OE1 GLU 75 15.515 32.732 1.844 1.00269.57 1SG 487 ATOM 487 OE2 GLU 75 17.503 33.554 2.452 1.00269.57 1SG 488 ATOM 488 C GLU 75 13.739 36.871 3.233 1.00269.57 1SG 489 ATOM 489 O GLU 75 12.853 37.679 2.946 1.00269.57 1SG 490 ATOM 490 N ALA 76 15.068 37.062 3.046 1.00249.01 1SG 491 ATOM 491 CA ALA 76 15.733 38.044 2.232 1.00249.01 1SG 492 ATOM 492 CB ALA 76 16.495 39.099 3.059 1.00249.01 1SG 493 ATOM 493 C ALA 76 16.816 37.280 1.531 1.00249.01 1SG 494 ATOM 494 O ALA 76 17.535 36.507 2.160 1.00249.01 1SG 495 ATOM 495 N PHE 77 16.971 37.466 0.205 1.00270.83 1SG 496 ATOM 496 CA PHE 77 18.029 36.787 -0.500 1.00270.83 1SG 497 ATOM 497 CB PHE 77 17.575 35.466 -1.124 1.00270.83 1SG 498 ATOM 498 CG PHE 77 18.731 34.982 -1.915 1.00270.83 1SG 499 ATOM 499 CD1 PHE 77 19.753 34.332 -1.268 1.00270.83 1SG 500 ATOM 500 CD2 PHE 77 18.799 35.171 -3.278 1.00270.83 1SG 501 ATOM 501 CE1 PHE 77 20.836 33.864 -1.965 1.00270.83 1SG 502 ATOM 502 CE2 PHE 77 19.883 34.703 -3.980 1.00270.83 1SG 503 ATOM 503 CZ PHE 77 20.903 34.055 -3.321 1.00270.83 1SG 504 ATOM 504 C PHE 77 18.451 37.640 -1.653 1.00270.83 1SG 505 ATOM 505 O PHE 77 17.595 38.143 -2.383 1.00270.83 1SG 506 ATOM 506 N LEU 78 19.776 37.816 -1.877 1.00280.69 1SG 507 ATOM 507 CA LEU 78 20.127 38.675 -2.971 1.00280.69 1SG 508 ATOM 508 CB LEU 78 20.413 40.116 -2.495 1.00280.69 1SG 509 ATOM 509 CG LEU 78 20.672 41.127 -3.623 1.00280.69 1SG 510 ATOM 510 CD2 LEU 78 21.019 42.522 -3.064 1.00280.69 1SG 511 ATOM 511 CD1 LEU 78 19.472 41.155 -4.581 1.00280.69 1SG 512 ATOM 512 C LEU 78 21.354 38.186 -3.689 1.00280.69 1SG 513 ATOM 513 O LEU 78 22.434 38.753 -3.520 1.00280.69 1SG 514 ATOM 514 N ARG 79 21.238 37.129 -4.518 1.00322.04 1SG 515 ATOM 515 CA ARG 79 22.321 36.763 -5.393 1.00322.04 1SG 516 ATOM 516 CB ARG 79 22.278 35.319 -5.911 1.00322.04 1SG 517 ATOM 517 CG ARG 79 23.193 35.132 -7.124 1.00322.04 1SG 518 ATOM 518 CD ARG 79 23.008 33.802 -7.858 1.00322.04 1SG 519 ATOM 519 NE ARG 79 23.618 33.955 -9.210 1.00322.04 1SG 520 ATOM 520 CZ ARG 79 23.826 32.866 -10.007 1.00322.04 1SG 521 ATOM 521 NH1 ARG 79 23.535 31.613 -9.550 1.00322.04 1SG 522 ATOM 522 NH2 ARG 79 24.326 33.032 -11.265 1.00322.04 1SG 523 ATOM 523 C ARG 79 21.984 37.573 -6.569 1.00322.04 1SG 524 ATOM 524 O ARG 79 20.787 37.718 -6.820 1.00322.04 1SG 525 ATOM 525 N ALA 80 22.920 38.146 -7.352 1.00267.77 1SG 526 ATOM 526 CA ALA 80 22.066 38.891 -8.218 1.00267.77 1SG 527 ATOM 527 CB ALA 80 21.564 40.201 -7.607 1.00267.77 1SG 528 ATOM 528 C ALA 80 22.511 39.361 -9.553 1.00267.77 1SG 529 ATOM 529 O ALA 80 23.525 40.040 -9.712 1.00267.77 1SG 530 ATOM 530 N TYR 81 21.770 38.868 -10.564 1.00183.60 1SG 531 ATOM 531 CA TYR 81 21.494 39.663 -11.702 1.00183.60 1SG 532 ATOM 532 CB TYR 81 21.216 38.918 -13.045 1.00183.60 1SG 533 ATOM 533 CG TYR 81 22.519 38.834 -13.813 1.00183.60 1SG 534 ATOM 534 CD1 TYR 81 23.601 38.150 -13.314 1.00183.60 1SG 535 ATOM 535 CD2 TYR 81 22.671 39.438 -15.055 1.00183.60 1SG 536 ATOM 536 CE1 TYR 81 24.801 38.103 -13.996 1.00183.60 1SG 537 ATOM 537 CE2 TYR 81 23.869 39.393 -15.741 1.00183.60 1SG 538 ATOM 538 CZ TYR 81 24.945 38.719 -15.220 1.00183.60 1SG 539 ATOM 539 OH TYR 81 26.175 38.683 -15.920 1.00183.60 1SG 540 ATOM 540 C TYR 81 20.342 40.464 -11.121 1.00183.60 1SG 541 ATOM 541 O TYR 81 20.160 41.635 -11.432 1.00183.60 1SG 542 ATOM 542 N ALA 82 19.527 39.783 -10.247 1.00274.72 1SG 543 ATOM 543 CA ALA 82 18.492 40.330 -9.373 1.00274.72 1SG 544 ATOM 544 CB ALA 82 17.455 41.281 -10.041 1.00274.72 1SG 545 ATOM 545 C ALA 82 17.730 39.155 -8.799 1.00274.72 1SG 546 ATOM 546 O ALA 82 17.329 38.280 -9.573 1.00274.72 1SG 547 ATOM 547 N LYS 83 17.426 39.119 -7.476 1.00327.63 1SG 548 ATOM 548 CA LYS 83 16.765 37.988 -6.849 1.00327.63 1SG 549 ATOM 549 CB LYS 83 17.746 36.841 -6.475 1.00327.63 1SG 550 ATOM 550 CG LYS 83 18.197 35.955 -7.658 1.00327.63 1SG 551 ATOM 551 CD LYS 83 19.205 36.537 -8.656 1.00327.63 1SG 552 ATOM 552 CE LYS 83 19.134 35.836 -10.030 1.00327.63 1SG 553 ATOM 553 NZ LYS 83 19.501 36.761 -11.140 1.00327.63 1SG 554 ATOM 554 C LYS 83 16.030 38.474 -5.610 1.00327.63 1SG 555 ATOM 555 O LYS 83 16.127 39.661 -5.294 1.00327.63 1SG 556 ATOM 556 N ASP 84 15.257 37.584 -4.904 1.00253.88 1SG 557 ATOM 557 CA ASP 84 14.428 37.983 -3.778 1.00253.88 1SG 558 ATOM 558 CB ASP 84 12.942 38.136 -4.103 1.00253.88 1SG 559 ATOM 559 CG ASP 84 12.793 39.402 -4.904 1.00253.88 1SG 560 ATOM 560 OD1 ASP 84 13.562 40.352 -4.616 1.00253.88 1SG 561 ATOM 561 OD2 ASP 84 11.928 39.436 -5.818 1.00253.88 1SG 562 ATOM 562 C ASP 84 14.417 37.046 -2.577 1.00253.88 1SG 563 ATOM 563 O ASP 84 14.731 35.858 -2.680 1.00253.88 1SG 564 ATOM 564 N GLU 85 13.983 37.668 -1.435 1.00292.48 1SG 565 ATOM 565 CA GLU 85 13.808 37.429 -0.029 1.00292.48 1SG 566 ATOM 566 CB GLU 85 13.286 38.781 0.525 1.00292.48 1SG 567 ATOM 567 CG GLU 85 14.273 39.987 0.564 1.00292.48 1SG 568 ATOM 568 CD GLU 85 14.685 40.416 -0.818 1.00292.48 1SG 569 ATOM 569 OE1 GLU 85 13.816 40.523 -1.729 1.00292.48 1SG 570 ATOM 570 OE2 GLU 85 15.914 40.645 -0.982 1.00292.48 1SG 571 ATOM 571 C GLU 85 12.852 36.299 0.290 1.00292.48 1SG 572 ATOM 572 O GLU 85 13.287 35.333 0.919 1.00292.48 1SG 573 ATOM 573 N PRO 86 11.610 36.291 -0.141 1.00222.98 1SG 574 ATOM 574 CA PRO 86 10.725 35.197 0.146 1.00222.98 1SG 575 ATOM 575 CD PRO 86 10.959 37.396 -0.813 1.00222.98 1SG 576 ATOM 576 CB PRO 86 9.386 35.612 -0.446 1.00222.98 1SG 577 ATOM 577 CG PRO 86 9.462 37.141 -0.600 1.00222.98 1SG 578 ATOM 578 C PRO 86 11.361 34.110 -0.612 1.00222.98 1SG 579 ATOM 579 O PRO 86 11.400 34.202 -1.841 1.00222.98 1SG 580 ATOM 580 N LEU 87 11.804 33.047 0.052 1.00183.43 1SG 581 ATOM 581 CA LEU 87 12.535 32.157 -0.776 1.00183.43 1SG 582 ATOM 582 CB LEU 87 13.987 32.008 -0.288 1.00183.43 1SG 583 ATOM 583 CG LEU 87 14.856 30.881 -0.870 1.00183.43 1SG 584 ATOM 584 CD2 LEU 87 14.361 29.547 -0.324 1.00183.43 1SG 585 ATOM 585 CD1 LEU 87 16.333 31.059 -0.492 1.00183.43 1SG 586 ATOM 586 C LEU 87 11.808 30.881 -0.982 1.00183.43 1SG 587 ATOM 587 O LEU 87 11.655 30.043 -0.094 1.00183.43 1SG 588 ATOM 588 N TYR 88 11.305 30.747 -2.218 1.00189.08 1SG 589 ATOM 589 CA TYR 88 10.766 29.504 -2.603 1.00189.08 1SG 590 ATOM 590 CB TYR 88 10.018 29.627 -3.954 1.00189.08 1SG 591 ATOM 591 CG TYR 88 9.247 28.395 -4.255 1.00189.08 1SG 592 ATOM 592 CD1 TYR 88 9.862 27.328 -4.864 1.00189.08 1SG 593 ATOM 593 CD2 TYR 88 7.908 28.312 -3.940 1.00189.08 1SG 594 ATOM 594 CE1 TYR 88 9.148 26.192 -5.139 1.00189.08 1SG 595 ATOM 595 CE2 TYR 88 7.190 27.175 -4.215 1.00189.08 1SG 596 ATOM 596 CZ TYR 88 7.817 26.111 -4.819 1.00189.08 1SG 597 ATOM 597 OH TYR 88 7.103 24.931 -5.110 1.00189.08 1SG 598 ATOM 598 C TYR 88 12.074 28.855 -2.808 1.00189.08 1SG 599 ATOM 599 O TYR 88 12.807 29.274 -3.706 1.00189.08 1SG 600 ATOM 600 N ALA 89 12.432 27.900 -1.923 1.00 80.16 1SG 601 ATOM 601 CA ALA 89 13.710 27.283 -2.070 1.00 80.16 1SG 602 ATOM 602 CB ALA 89 14.043 26.227 -1.015 1.00 80.16 1SG 603 ATOM 603 C ALA 89 13.653 26.702 -3.413 1.00 80.16 1SG 604 ATOM 604 O ALA 89 12.850 25.841 -3.763 1.00 80.16 1SG 605 ATOM 605 N TRP 90 14.514 27.285 -4.221 1.00223.15 1SG 606 ATOM 606 CA TRP 90 14.466 27.052 -5.596 1.00223.15 1SG 607 ATOM 607 CB TRP 90 13.029 27.465 -5.996 1.00223.15 1SG 608 ATOM 608 CG TRP 90 12.469 27.263 -7.375 1.00223.15 1SG 609 ATOM 609 CD2 TRP 90 12.318 25.988 -8.003 1.00223.15 1SG 610 ATOM 610 CD1 TRP 90 11.956 28.176 -8.242 1.00223.15 1SG 611 ATOM 611 NE1 TRP 90 11.438 27.549 -9.339 1.00223.15 1SG 612 ATOM 612 CE2 TRP 90 11.664 26.199 -9.217 1.00223.15 1SG 613 ATOM 613 CE3 TRP 90 12.683 24.739 -7.596 1.00223.15 1SG 614 ATOM 614 CZ2 TRP 90 11.361 25.158 -10.050 1.00223.15 1SG 615 ATOM 615 CZ3 TRP 90 12.393 23.693 -8.441 1.00223.15 1SG 616 ATOM 616 CH2 TRP 90 11.744 23.898 -9.640 1.00223.15 1SG 617 ATOM 617 C TRP 90 15.506 28.043 -5.911 1.00223.15 1SG 618 ATOM 618 O TRP 90 15.252 29.247 -5.943 1.00223.15 1SG 619 ATOM 619 N VAL 91 16.739 27.559 -6.078 1.00 78.84 1SG 620 ATOM 620 CA VAL 91 17.752 28.516 -6.343 1.00 78.84 1SG 621 ATOM 621 CB VAL 91 18.884 28.557 -5.343 1.00 78.84 1SG 622 ATOM 622 CG1 VAL 91 19.905 29.626 -5.786 1.00 78.84 1SG 623 ATOM 623 CG2 VAL 91 18.297 28.850 -3.949 1.00 78.84 1SG 624 ATOM 624 C VAL 91 18.268 28.145 -7.676 1.00 78.84 1SG 625 ATOM 625 O VAL 91 18.358 26.965 -8.009 1.00 78.84 1SG 626 ATOM 626 N LEU 92 18.563 29.174 -8.486 1.00235.99 1SG 627 ATOM 627 CA LEU 92 18.981 29.101 -9.857 1.00235.99 1SG 628 ATOM 628 CB LEU 92 20.019 27.979 -10.075 1.00235.99 1SG 629 ATOM 629 CG LEU 92 20.788 27.955 -11.427 1.00235.99 1SG 630 ATOM 630 CD2 LEU 92 21.738 29.159 -11.592 1.00235.99 1SG 631 ATOM 631 CD1 LEU 92 19.869 27.728 -12.645 1.00235.99 1SG 632 ATOM 632 C LEU 92 17.742 28.873 -10.670 1.00235.99 1SG 633 ATOM 633 O LEU 92 17.681 29.178 -11.861 1.00235.99 1SG 634 ATOM 634 N GLU 93 16.688 28.422 -9.973 1.00192.67 1SG 635 ATOM 635 CA GLU 93 15.384 28.139 -10.466 1.00192.67 1SG 636 ATOM 636 CB GLU 93 15.083 26.676 -10.182 1.00192.67 1SG 637 ATOM 637 CG GLU 93 15.815 25.681 -11.103 1.00192.67 1SG 638 ATOM 638 CD GLU 93 17.310 25.840 -11.322 1.00192.67 1SG 639 ATOM 639 OE1 GLU 93 18.085 26.003 -10.341 1.00192.67 1SG 640 ATOM 640 OE2 GLU 93 17.691 25.755 -12.520 1.00192.67 1SG 641 ATOM 641 C GLU 93 14.533 28.972 -9.562 1.00192.67 1SG 642 ATOM 642 O GLU 93 14.615 28.816 -8.354 1.00192.67 1SG 643 ATOM 643 N ASN 94 13.667 29.872 -10.058 1.00223.09 1SG 644 ATOM 644 CA ASN 94 13.202 30.716 -8.996 1.00223.09 1SG 645 ATOM 645 CB ASN 94 14.021 32.004 -8.900 1.00223.09 1SG 646 ATOM 646 CG ASN 94 15.399 31.586 -8.429 1.00223.09 1SG 647 ATOM 647 OD1 ASN 94 16.228 31.166 -9.236 1.00223.09 1SG 648 ATOM 648 ND2 ASN 94 15.661 31.711 -7.096 1.00223.09 1SG 649 ATOM 649 C ASN 94 11.734 31.021 -9.057 1.00223.09 1SG 650 ATOM 650 O ASN 94 11.108 31.047 -10.112 1.00223.09 1SG 651 ATOM 651 N ALA 95 11.174 31.286 -7.853 1.00 85.91 1SG 652 ATOM 652 CA ALA 95 9.778 31.543 -7.668 1.00 85.91 1SG 653 ATOM 653 CB ALA 95 9.057 30.417 -6.914 1.00 85.91 1SG 654 ATOM 654 C ALA 95 9.624 32.787 -6.846 1.00 85.91 1SG 655 ATOM 655 O ALA 95 10.554 33.241 -6.180 1.00 85.91 1SG 656 ATOM 656 N PHE 96 8.403 33.370 -6.904 1.00105.71 1SG 657 ATOM 657 CA PHE 96 8.103 34.584 -6.202 1.00105.71 1SG 658 ATOM 658 CB PHE 96 7.649 35.733 -7.129 1.00105.71 1SG 659 ATOM 659 CG PHE 96 7.366 36.940 -6.303 1.00105.71 1SG 660 ATOM 660 CD1 PHE 96 8.291 37.405 -5.393 1.00105.71 1SG 661 ATOM 661 CD2 PHE 96 6.201 37.646 -6.495 1.00105.71 1SG 662 ATOM 662 CE1 PHE 96 8.037 38.530 -4.645 1.00105.71 1SG 663 ATOM 663 CE2 PHE 96 5.941 38.772 -5.750 1.00105.71 1SG 664 ATOM 664 CZ PHE 96 6.853 39.209 -4.825 1.00105.71 1SG 665 ATOM 665 C PHE 96 7.041 34.294 -5.186 1.00105.71 1SG 666 ATOM 666 O PHE 96 6.228 33.380 -5.355 1.00105.71 1SG 667 ATOM 667 N ARG 97 7.078 35.057 -4.077 1.00179.52 1SG 668 ATOM 668 CA ARG 97 6.235 34.971 -2.911 1.00179.52 1SG 669 ATOM 669 CB ARG 97 6.691 35.874 -1.759 1.00179.52 1SG 670 ATOM 670 CG ARG 97 5.750 35.841 -0.556 1.00179.52 1SG 671 ATOM 671 CD ARG 97 4.920 37.112 -0.374 1.00179.52 1SG 672 ATOM 672 NE ARG 97 5.855 38.263 -0.317 1.00179.52 1SG 673 ATOM 673 CZ ARG 97 5.409 39.528 -0.596 1.00179.52 1SG 674 ATOM 674 NH1 ARG 97 4.111 39.752 -0.962 1.00179.52 1SG 675 ATOM 675 NH2 ARG 97 6.280 40.577 -0.496 1.00179.52 1SG 676 ATOM 676 C ARG 97 4.821 35.383 -3.138 1.00179.52 1SG 677 ATOM 677 O ARG 97 3.932 34.826 -2.495 1.00179.52 1SG 678 ATOM 678 N TYR 98 4.578 36.380 -4.014 1.00107.81 1SG 679 ATOM 679 CA TYR 98 3.275 36.985 -4.087 1.00107.81 1SG 680 ATOM 680 CB TYR 98 3.150 38.064 -5.171 1.00107.81 1SG 681 ATOM 681 CG TYR 98 2.193 39.084 -4.663 1.00107.81 1SG 682 ATOM 682 CD1 TYR 98 2.649 40.022 -3.761 1.00107.81 1SG 683 ATOM 683 CD2 TYR 98 0.884 39.133 -5.074 1.00107.81 1SG 684 ATOM 684 CE1 TYR 98 1.813 40.991 -3.257 1.00107.81 1SG 685 ATOM 685 CE2 TYR 98 0.045 40.100 -4.574 1.00107.81 1SG 686 ATOM 686 CZ TYR 98 0.507 41.031 -3.674 1.00107.81 1SG 687 ATOM 687 OH TYR 98 -0.361 42.021 -3.167 1.00107.81 1SG 688 ATOM 688 C TYR 98 2.284 35.907 -4.371 1.00107.81 1SG 689 ATOM 689 O TYR 98 2.514 35.053 -5.226 1.00107.81 1SG 690 ATOM 690 N GLU 99 1.165 35.905 -3.618 1.00 87.86 1SG 691 ATOM 691 CA GLU 99 0.209 34.844 -3.738 1.00 87.86 1SG 692 ATOM 692 CB GLU 99 -0.794 34.774 -2.574 1.00 87.86 1SG 693 ATOM 693 CG GLU 99 -1.787 33.619 -2.695 1.00 87.86 1SG 694 ATOM 694 CD GLU 99 -2.718 33.659 -1.493 1.00 87.86 1SG 695 ATOM 695 OE1 GLU 99 -2.613 34.623 -0.687 1.00 87.86 1SG 696 ATOM 696 OE2 GLU 99 -3.551 32.722 -1.366 1.00 87.86 1SG 697 ATOM 697 C GLU 99 -0.576 35.005 -4.992 1.00 87.86 1SG 698 ATOM 698 O GLU 99 -1.233 36.021 -5.206 1.00 87.86 1SG 699 ATOM 699 N LYS 100 -0.500 33.972 -5.855 1.00133.38 1SG 700 ATOM 700 CA LYS 100 -1.209 33.896 -7.098 1.00133.38 1SG 701 ATOM 701 CB LYS 100 -1.393 35.237 -7.826 1.00133.38 1SG 702 ATOM 702 CG LYS 100 -2.216 35.098 -9.108 1.00133.38 1SG 703 ATOM 703 CD LYS 100 -3.670 34.700 -8.848 1.00133.38 1SG 704 ATOM 704 CE LYS 100 -4.503 34.532 -10.120 1.00133.38 1SG 705 ATOM 705 NZ LYS 100 -5.823 33.953 -9.783 1.00133.38 1SG 706 ATOM 706 C LYS 100 -0.355 33.052 -7.977 1.00133.38 1SG 707 ATOM 707 O LYS 100 0.794 32.780 -7.633 1.00133.38 1SG 708 ATOM 708 N PRO 101 -0.855 32.587 -9.081 1.00128.12 1SG 709 ATOM 709 CA PRO 101 0.036 31.876 -9.943 1.00128.12 1SG 710 ATOM 710 CD PRO 101 -2.209 32.061 -9.142 1.00128.12 1SG 711 ATOM 711 CB PRO 101 -0.853 31.151 -10.949 1.00128.12 1SG 712 ATOM 712 CG PRO 101 -2.152 30.904 -10.156 1.00128.12 1SG 713 ATOM 713 C PRO 101 0.968 32.892 -10.512 1.00128.12 1SG 714 ATOM 714 O PRO 101 0.494 33.932 -10.966 1.00128.12 1SG 715 ATOM 715 N LEU 102 2.287 32.634 -10.501 1.00 97.39 1SG 716 ATOM 716 CA LEU 102 3.173 33.620 -11.038 1.00 97.39 1SG 717 ATOM 717 CB LEU 102 3.701 34.573 -9.937 1.00 97.39 1SG 718 ATOM 718 CG LEU 102 4.643 35.725 -10.352 1.00 97.39 1SG 719 ATOM 719 CD2 LEU 102 5.927 35.236 -11.034 1.00 97.39 1SG 720 ATOM 720 CD1 LEU 102 4.940 36.617 -9.132 1.00 97.39 1SG 721 ATOM 721 C LEU 102 4.301 32.869 -11.653 1.00 97.39 1SG 722 ATOM 722 O LEU 102 4.841 31.940 -11.056 1.00 97.39 1SG 723 ATOM 723 N HIS 103 4.672 33.256 -12.884 1.00 81.03 1SG 724 ATOM 724 CA HIS 103 5.759 32.633 -13.565 1.00 81.03 1SG 725 ATOM 725 ND1 HIS 103 6.992 30.873 -16.112 1.00 81.03 1SG 726 ATOM 726 CG HIS 103 6.832 32.205 -15.830 1.00 81.03 1SG 727 ATOM 727 CB HIS 103 5.665 32.787 -15.092 1.00 81.03 1SG 728 ATOM 728 NE2 HIS 103 8.769 31.911 -16.951 1.00 81.03 1SG 729 ATOM 729 CD2 HIS 103 7.930 32.832 -16.350 1.00 81.03 1SG 730 ATOM 730 CE1 HIS 103 8.162 30.749 -16.783 1.00 81.03 1SG 731 ATOM 731 C HIS 103 6.983 33.351 -13.126 1.00 81.03 1SG 732 ATOM 732 O HIS 103 7.179 34.519 -13.459 1.00 81.03 1SG 733 ATOM 733 N VAL 104 7.838 32.679 -12.334 1.00 54.44 1SG 734 ATOM 734 CA VAL 104 9.009 33.387 -11.943 1.00 54.44 1SG 735 ATOM 735 CB VAL 104 9.350 33.283 -10.489 1.00 54.44 1SG 736 ATOM 736 CG1 VAL 104 10.700 33.994 -10.255 1.00 54.44 1SG 737 ATOM 737 CG2 VAL 104 8.184 33.870 -9.681 1.00 54.44 1SG 738 ATOM 738 C VAL 104 10.153 32.798 -12.679 1.00 54.44 1SG 739 ATOM 739 O VAL 104 10.483 31.624 -12.527 1.00 54.44 1SG 740 ATOM 740 N PRO 105 10.724 33.619 -13.509 1.00 78.56 1SG 741 ATOM 741 CA PRO 105 11.935 33.248 -14.170 1.00 78.56 1SG 742 ATOM 742 CD PRO 105 9.898 34.443 -14.376 1.00 78.56 1SG 743 ATOM 743 CB PRO 105 12.056 34.118 -15.421 1.00 78.56 1SG 744 ATOM 744 CG PRO 105 10.923 35.146 -15.282 1.00 78.56 1SG 745 ATOM 745 C PRO 105 13.031 33.471 -13.192 1.00 78.56 1SG 746 ATOM 746 O PRO 105 12.781 33.953 -12.089 1.00 78.56 1SG 747 ATOM 747 N ARG 106 14.259 33.147 -13.603 1.00170.73 1SG 748 ATOM 748 CA ARG 106 15.386 33.245 -12.745 1.00170.73 1SG 749 ATOM 749 CB ARG 106 16.673 32.911 -13.513 1.00170.73 1SG 750 ATOM 750 CG ARG 106 16.762 31.443 -13.943 1.00170.73 1SG 751 ATOM 751 CD ARG 106 15.569 30.930 -14.755 1.00170.73 1SG 752 ATOM 752 NE ARG 106 15.410 31.755 -15.987 1.00170.73 1SG 753 ATOM 753 CZ ARG 106 14.273 31.597 -16.725 1.00170.73 1SG 754 ATOM 754 NH1 ARG 106 13.328 30.707 -16.308 1.00170.73 1SG 755 ATOM 755 NH2 ARG 106 14.073 32.325 -17.866 1.00170.73 1SG 756 ATOM 756 C ARG 106 15.477 34.649 -12.265 1.00170.73 1SG 757 ATOM 757 O ARG 106 15.775 34.876 -11.092 1.00170.73 1SG 758 ATOM 758 N ARG 107 15.208 35.632 -13.135 1.00122.76 1SG 759 ATOM 759 CA ARG 107 15.407 36.987 -12.712 1.00122.76 1SG 760 ATOM 760 CB ARG 107 15.090 38.011 -13.809 1.00122.76 1SG 761 ATOM 761 CG ARG 107 15.560 39.423 -13.479 1.00122.76 1SG 762 ATOM 762 CD ARG 107 14.765 40.463 -14.268 1.00122.76 1SG 763 ATOM 763 NE ARG 107 15.474 41.765 -14.162 1.00122.76 1SG 764 ATOM 764 CZ ARG 107 16.211 42.203 -15.216 1.00122.76 1SG 765 ATOM 765 NH1 ARG 107 16.130 41.570 -16.428 1.00122.76 1SG 766 ATOM 766 NH2 ARG 107 17.044 43.271 -15.064 1.00122.76 1SG 767 ATOM 767 C ARG 107 14.542 37.308 -11.533 1.00122.76 1SG 768 ATOM 768 O ARG 107 15.025 37.905 -10.560 1.00122.76 1SG 769 ATOM 769 N PRO 108 13.295 36.942 -11.534 1.00 84.75 1SG 770 ATOM 770 CA PRO 108 12.427 37.354 -10.464 1.00 84.75 1SG 771 ATOM 771 CD PRO 108 12.549 36.688 -12.759 1.00 84.75 1SG 772 ATOM 772 CB PRO 108 10.994 37.158 -10.973 1.00 84.75 1SG 773 ATOM 773 CG PRO 108 11.148 36.341 -12.263 1.00 84.75 1SG 774 ATOM 774 C PRO 108 12.730 36.745 -9.133 1.00 84.75 1SG 775 ATOM 775 O PRO 108 12.264 37.282 -8.126 1.00 84.75 1SG 776 ATOM 776 N GLY 109 13.480 35.639 -9.049 1.00 15.13 1SG 777 ATOM 777 CA GLY 109 13.723 35.150 -7.726 1.00 15.13 1SG 778 ATOM 778 C GLY 109 15.211 34.840 -7.579 1.00 15.13 1SG 779 ATOM 779 O GLY 109 15.838 34.415 -8.594 1.00 15.13 1SG 780 ATOM 780 OXT GLY 109 15.737 34.994 -6.438 1.00 15.13 1SG 781 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.555 REMARK SCORE 0.555 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 14 PARENT 1LBA ATOM 1 N ARG 30 -16.760 11.593 -2.224 1.00 84.69 1SG 2 ATOM 2 CA ARG 30 -16.095 11.610 -0.901 1.00 84.69 1SG 3 ATOM 3 CB ARG 30 -16.202 13.019 -0.293 1.00 84.69 1SG 4 ATOM 4 CG ARG 30 -15.545 13.164 1.079 1.00 84.69 1SG 5 ATOM 5 CD ARG 30 -15.553 14.601 1.602 1.00 84.69 1SG 6 ATOM 6 NE ARG 30 -14.909 14.588 2.945 1.00 84.69 1SG 7 ATOM 7 CZ ARG 30 -14.277 15.707 3.406 1.00 84.69 1SG 8 ATOM 8 NH1 ARG 30 -14.211 16.825 2.627 1.00 84.69 1SG 9 ATOM 9 NH2 ARG 30 -13.731 15.708 4.656 1.00 84.69 1SG 10 ATOM 10 C ARG 30 -16.740 10.618 0.013 1.00 84.69 1SG 11 ATOM 11 O ARG 30 -17.950 10.657 0.234 1.00 84.69 1SG 12 ATOM 12 N LYS 31 -15.944 9.679 0.559 1.00118.20 1SG 13 ATOM 13 CA LYS 31 -16.516 8.677 1.411 1.00118.20 1SG 14 ATOM 14 CB LYS 31 -16.452 7.253 0.829 1.00118.20 1SG 15 ATOM 15 CG LYS 31 -15.015 6.733 0.691 1.00118.20 1SG 16 ATOM 16 CD LYS 31 -14.896 5.246 0.356 1.00118.20 1SG 17 ATOM 17 CE LYS 31 -15.110 4.948 -1.118 1.00118.20 1SG 18 ATOM 18 NZ LYS 31 -14.032 5.522 -1.948 1.00118.20 1SG 19 ATOM 19 C LYS 31 -15.719 8.627 2.668 1.00118.20 1SG 20 ATOM 20 O LYS 31 -14.651 9.224 2.774 1.00118.20 1SG 21 ATOM 21 N THR 32 -16.261 7.918 3.675 1.00104.72 1SG 22 ATOM 22 CA THR 32 -15.543 7.710 4.891 1.00104.72 1SG 23 ATOM 23 CB THR 32 -16.434 7.445 6.068 1.00104.72 1SG 24 ATOM 24 OG1 THR 32 -15.676 7.382 7.267 1.00104.72 1SG 25 ATOM 25 CG2 THR 32 -17.154 6.110 5.820 1.00104.72 1SG 26 ATOM 26 C THR 32 -14.744 6.471 4.665 1.00104.72 1SG 27 ATOM 27 O THR 32 -15.055 5.673 3.782 1.00104.72 1SG 28 ATOM 28 N ARG 33 -13.674 6.279 5.452 1.00 75.18 1SG 29 ATOM 29 CA ARG 33 -12.892 5.102 5.243 1.00 75.18 1SG 30 ATOM 30 CB ARG 33 -11.617 5.061 6.095 1.00 75.18 1SG 31 ATOM 31 CG ARG 33 -10.579 6.107 5.689 1.00 75.18 1SG 32 ATOM 32 CD ARG 33 -9.494 6.303 6.745 1.00 75.18 1SG 33 ATOM 33 NE ARG 33 -10.135 7.002 7.894 1.00 75.18 1SG 34 ATOM 34 CZ ARG 33 -10.049 6.474 9.148 1.00 75.18 1SG 35 ATOM 35 NH1 ARG 33 -9.402 5.288 9.343 1.00 75.18 1SG 36 ATOM 36 NH2 ARG 33 -10.614 7.127 10.205 1.00 75.18 1SG 37 ATOM 37 C ARG 33 -13.741 3.957 5.665 1.00 75.18 1SG 38 ATOM 38 O ARG 33 -14.480 4.055 6.644 1.00 75.18 1SG 39 ATOM 39 N HIS 34 -13.685 2.841 4.915 1.00105.00 1SG 40 ATOM 40 CA HIS 34 -14.478 1.729 5.332 1.00105.00 1SG 41 ATOM 41 ND1 HIS 34 -12.710 -1.149 5.225 1.00105.00 1SG 42 ATOM 42 CG HIS 34 -13.108 -0.193 4.317 1.00105.00 1SG 43 ATOM 43 CB HIS 34 -14.429 0.518 4.374 1.00105.00 1SG 44 ATOM 44 NE2 HIS 34 -11.058 -0.948 3.751 1.00105.00 1SG 45 ATOM 45 CD2 HIS 34 -12.087 -0.082 3.423 1.00105.00 1SG 46 ATOM 46 CE1 HIS 34 -11.478 -1.566 4.839 1.00105.00 1SG 47 ATOM 47 C HIS 34 -13.934 1.310 6.657 1.00105.00 1SG 48 ATOM 48 O HIS 34 -14.679 1.081 7.605 1.00105.00 1SG 49 ATOM 49 N ARG 35 -12.592 1.228 6.750 1.00 93.32 1SG 50 ATOM 50 CA ARG 35 -11.996 0.848 7.991 1.00 93.32 1SG 51 ATOM 51 CB ARG 35 -11.679 -0.654 8.073 1.00 93.32 1SG 52 ATOM 52 CG ARG 35 -11.044 -1.095 9.392 1.00 93.32 1SG 53 ATOM 53 CD ARG 35 -10.748 -2.596 9.425 1.00 93.32 1SG 54 ATOM 54 NE ARG 35 -10.125 -2.916 10.739 1.00 93.32 1SG 55 ATOM 55 CZ ARG 35 -9.836 -4.213 11.055 1.00 93.32 1SG 56 ATOM 56 NH1 ARG 35 -10.104 -5.210 10.162 1.00 93.32 1SG 57 ATOM 57 NH2 ARG 35 -9.280 -4.511 12.265 1.00 93.32 1SG 58 ATOM 58 C ARG 35 -10.702 1.577 8.103 1.00 93.32 1SG 59 ATOM 59 O ARG 35 -10.094 1.951 7.103 1.00 93.32 1SG 60 ATOM 60 N GLY 36 -10.264 1.821 9.353 1.00 35.17 1SG 61 ATOM 61 CA GLY 36 -8.994 2.440 9.561 1.00 35.17 1SG 62 ATOM 62 C GLY 36 -8.260 1.504 10.454 1.00 35.17 1SG 63 ATOM 63 O GLY 36 -8.384 1.544 11.677 1.00 35.17 1SG 64 ATOM 64 N PRO 37 -7.505 0.645 9.835 1.00 92.12 1SG 65 ATOM 65 CA PRO 37 -6.789 -0.340 10.590 1.00 92.12 1SG 66 ATOM 66 CD PRO 37 -7.891 0.141 8.524 1.00 92.12 1SG 67 ATOM 67 CB PRO 37 -6.327 -1.387 9.582 1.00 92.12 1SG 68 ATOM 68 CG PRO 37 -7.396 -1.314 8.478 1.00 92.12 1SG 69 ATOM 69 C PRO 37 -5.692 0.210 11.432 1.00 92.12 1SG 70 ATOM 70 O PRO 37 -5.369 -0.410 12.443 1.00 92.12 1SG 71 ATOM 71 N LEU 38 -5.088 1.352 11.045 1.00134.59 1SG 72 ATOM 72 CA LEU 38 -3.979 1.791 11.838 1.00134.59 1SG 73 ATOM 73 CB LEU 38 -2.629 1.321 11.263 1.00134.59 1SG 74 ATOM 74 CG LEU 38 -1.420 1.568 12.183 1.00134.59 1SG 75 ATOM 75 CD2 LEU 38 -0.106 1.248 11.454 1.00134.59 1SG 76 ATOM 76 CD1 LEU 38 -1.556 0.796 13.506 1.00134.59 1SG 77 ATOM 77 C LEU 38 -3.975 3.284 11.914 1.00134.59 1SG 78 ATOM 78 O LEU 38 -4.816 3.965 11.327 1.00134.59 1SG 79 ATOM 79 N GLY 39 -3.031 3.825 12.709 1.00 20.54 1SG 80 ATOM 80 CA GLY 39 -2.855 5.241 12.819 1.00 20.54 1SG 81 ATOM 81 C GLY 39 -1.440 5.485 12.419 1.00 20.54 1SG 82 ATOM 82 O GLY 39 -0.560 4.673 12.703 1.00 20.54 1SG 83 ATOM 83 N ILE 40 -1.173 6.621 11.748 1.00 81.91 1SG 84 ATOM 84 CA ILE 40 0.174 6.861 11.317 1.00 81.91 1SG 85 ATOM 85 CB ILE 40 0.357 6.984 9.839 1.00 81.91 1SG 86 ATOM 86 CG2 ILE 40 -0.142 8.384 9.442 1.00 81.91 1SG 87 ATOM 87 CG1 ILE 40 1.836 6.768 9.476 1.00 81.91 1SG 88 ATOM 88 CD1 ILE 40 2.088 6.606 7.978 1.00 81.91 1SG 89 ATOM 89 C ILE 40 0.583 8.193 11.839 1.00 81.91 1SG 90 ATOM 90 O ILE 40 -0.250 9.053 12.122 1.00 81.91 1SG 91 ATOM 91 N VAL 41 1.906 8.381 12.001 1.00 26.39 1SG 92 ATOM 92 CA VAL 41 2.411 9.651 12.425 1.00 26.39 1SG 93 ATOM 93 CB VAL 41 3.320 9.562 13.616 1.00 26.39 1SG 94 ATOM 94 CG1 VAL 41 3.886 10.963 13.916 1.00 26.39 1SG 95 ATOM 95 CG2 VAL 41 2.537 8.945 14.785 1.00 26.39 1SG 96 ATOM 96 C VAL 41 3.219 10.182 11.287 1.00 26.39 1SG 97 ATOM 97 O VAL 41 3.934 9.435 10.618 1.00 26.39 1SG 98 ATOM 98 N SER 42 3.107 11.500 11.030 1.00 66.96 1SG 99 ATOM 99 CA SER 42 3.845 12.104 9.960 1.00 66.96 1SG 100 ATOM 100 CB SER 42 2.973 12.596 8.792 1.00 66.96 1SG 101 ATOM 101 OG SER 42 3.793 13.171 7.785 1.00 66.96 1SG 102 ATOM 102 C SER 42 4.508 13.309 10.543 1.00 66.96 1SG 103 ATOM 103 O SER 42 4.228 13.690 11.680 1.00 66.96 1SG 104 ATOM 104 N GLY 43 5.427 13.938 9.786 1.00 14.87 1SG 105 ATOM 105 CA GLY 43 6.089 15.086 10.328 1.00 14.87 1SG 106 ATOM 106 C GLY 43 5.924 16.220 9.372 1.00 14.87 1SG 107 ATOM 107 O GLY 43 5.922 16.036 8.155 1.00 14.87 1SG 108 ATOM 108 N GLY 44 5.783 17.439 9.928 1.00 27.76 1SG 109 ATOM 109 CA GLY 44 5.632 18.633 9.153 1.00 27.76 1SG 110 ATOM 110 C GLY 44 6.894 18.854 8.389 1.00 27.76 1SG 111 ATOM 111 O GLY 44 6.870 19.284 7.237 1.00 27.76 1SG 112 ATOM 112 N ARG 45 8.039 18.551 9.026 1.00191.62 1SG 113 ATOM 113 CA ARG 45 9.310 18.758 8.402 1.00191.62 1SG 114 ATOM 114 CB ARG 45 9.382 18.125 6.999 1.00191.62 1SG 115 ATOM 115 CG ARG 45 10.751 18.220 6.323 1.00191.62 1SG 116 ATOM 116 CD ARG 45 10.772 17.571 4.936 1.00191.62 1SG 117 ATOM 117 NE ARG 45 12.146 17.722 4.378 1.00191.62 1SG 118 ATOM 118 CZ ARG 45 12.475 17.091 3.214 1.00191.62 1SG 119 ATOM 119 NH1 ARG 45 11.544 16.332 2.564 1.00191.62 1SG 120 ATOM 120 NH2 ARG 45 13.732 17.220 2.697 1.00191.62 1SG 121 ATOM 121 C ARG 45 9.531 20.232 8.285 1.00191.62 1SG 122 ATOM 122 O ARG 45 10.378 20.685 7.515 1.00191.62 1SG 123 ATOM 123 N LEU 46 8.778 21.024 9.073 1.00143.91 1SG 124 ATOM 124 CA LEU 46 8.980 22.443 9.100 1.00143.91 1SG 125 ATOM 125 CB LEU 46 7.816 23.230 9.725 1.00143.91 1SG 126 ATOM 126 CG LEU 46 8.045 24.753 9.744 1.00143.91 1SG 127 ATOM 127 CD2 LEU 46 6.969 25.465 10.580 1.00143.91 1SG 128 ATOM 128 CD1 LEU 46 8.162 25.321 8.322 1.00143.91 1SG 129 ATOM 129 C LEU 46 10.189 22.638 9.952 1.00143.91 1SG 130 ATOM 130 O LEU 46 10.540 21.754 10.732 1.00143.91 1SG 131 ATOM 131 N ILE 47 10.883 23.782 9.823 1.00139.06 1SG 132 ATOM 132 CA ILE 47 12.074 23.877 10.610 1.00139.06 1SG 133 ATOM 133 CB ILE 47 13.224 24.514 9.876 1.00139.06 1SG 134 ATOM 134 CG2 ILE 47 12.780 25.879 9.321 1.00139.06 1SG 135 ATOM 135 CG1 ILE 47 14.469 24.547 10.776 1.00139.06 1SG 136 ATOM 136 CD1 ILE 47 15.759 24.871 10.023 1.00139.06 1SG 137 ATOM 137 C ILE 47 11.810 24.636 11.869 1.00139.06 1SG 138 ATOM 138 O ILE 47 11.999 25.851 11.943 1.00139.06 1SG 139 ATOM 139 N GLY 48 11.341 23.897 12.894 1.00205.59 1SG 140 ATOM 140 CA GLY 48 11.143 24.396 14.222 1.00205.59 1SG 141 ATOM 141 C GLY 48 10.406 25.685 14.156 1.00205.59 1SG 142 ATOM 142 O GLY 48 9.769 26.013 13.156 1.00205.59 1SG 143 ATOM 143 N GLN 49 10.498 26.451 15.256 1.00359.02 1SG 144 ATOM 144 CA GLN 49 9.937 27.760 15.318 1.00359.02 1SG 145 ATOM 145 CB GLN 49 8.511 27.851 14.750 1.00359.02 1SG 146 ATOM 146 CG GLN 49 8.064 29.281 14.450 1.00359.02 1SG 147 ATOM 147 CD GLN 49 6.882 29.179 13.500 1.00359.02 1SG 148 ATOM 148 OE1 GLN 49 6.380 30.178 12.987 1.00359.02 1SG 149 ATOM 149 NE2 GLN 49 6.428 27.922 13.247 1.00359.02 1SG 150 ATOM 150 C GLN 49 9.919 28.107 16.765 1.00359.02 1SG 151 ATOM 151 O GLN 49 9.871 27.223 17.618 1.00359.02 1SG 152 ATOM 152 N ALA 50 9.978 29.409 17.088 1.00253.83 1SG 153 ATOM 153 CA ALA 50 9.965 29.770 18.471 1.00253.83 1SG 154 ATOM 154 CB ALA 50 11.007 30.839 18.843 1.00253.83 1SG 155 ATOM 155 C ALA 50 8.624 30.349 18.740 1.00253.83 1SG 156 ATOM 156 O ALA 50 8.008 30.936 17.854 1.00253.83 1SG 157 ATOM 157 N ASP 51 8.105 30.140 19.962 1.00194.66 1SG 158 ATOM 158 CA ASP 51 6.844 30.726 20.289 1.00194.66 1SG 159 ATOM 159 CB ASP 51 5.774 29.688 20.665 1.00194.66 1SG 160 ATOM 160 CG ASP 51 4.454 30.434 20.721 1.00194.66 1SG 161 ATOM 161 OD1 ASP 51 4.285 31.323 19.851 1.00194.66 1SG 162 ATOM 162 OD2 ASP 51 3.605 30.131 21.601 1.00194.66 1SG 163 ATOM 163 C ASP 51 7.090 31.564 21.499 1.00194.66 1SG 164 ATOM 164 O ASP 51 6.414 31.415 22.516 1.00194.66 1SG 165 ATOM 165 N LEU 52 8.080 32.470 21.422 1.00257.18 1SG 166 ATOM 166 CA LEU 52 8.374 33.310 22.543 1.00257.18 1SG 167 ATOM 167 CB LEU 52 9.835 33.799 22.613 1.00257.18 1SG 168 ATOM 168 CG LEU 52 10.138 34.647 23.867 1.00257.18 1SG 169 ATOM 169 CD2 LEU 52 11.449 35.443 23.738 1.00257.18 1SG 170 ATOM 170 CD1 LEU 52 10.063 33.785 25.139 1.00257.18 1SG 171 ATOM 171 C LEU 52 7.526 34.518 22.357 1.00257.18 1SG 172 ATOM 172 O LEU 52 6.930 34.686 21.297 1.00257.18 1SG 173 ATOM 173 N VAL 53 7.465 35.383 23.388 1.00 99.68 1SG 174 ATOM 174 CA VAL 53 6.710 36.603 23.374 1.00 99.68 1SG 175 ATOM 175 CB VAL 53 7.285 37.626 22.438 1.00 99.68 1SG 176 ATOM 176 CG1 VAL 53 6.379 38.869 22.447 1.00 99.68 1SG 177 ATOM 177 CG2 VAL 53 8.742 37.898 22.841 1.00 99.68 1SG 178 ATOM 178 C VAL 53 5.344 36.318 22.878 1.00 99.68 1SG 179 ATOM 179 O VAL 53 5.111 36.394 21.667 1.00 99.68 1SG 180 ATOM 180 N GLY 54 4.398 36.076 23.811 1.00 64.87 1SG 181 ATOM 181 CA GLY 54 3.072 35.715 23.425 1.00 64.87 1SG 182 ATOM 182 C GLY 54 3.293 34.561 22.514 1.00 64.87 1SG 183 ATOM 183 O GLY 54 3.834 33.531 22.914 1.00 64.87 1SG 184 ATOM 184 N VAL 55 2.903 34.746 21.237 1.00 97.68 1SG 185 ATOM 185 CA VAL 55 3.099 33.761 20.215 1.00 97.68 1SG 186 ATOM 186 CB VAL 55 1.804 33.366 19.534 1.00 97.68 1SG 187 ATOM 187 CG1 VAL 55 1.187 34.614 18.877 1.00 97.68 1SG 188 ATOM 188 CG2 VAL 55 2.071 32.233 18.532 1.00 97.68 1SG 189 ATOM 189 C VAL 55 4.022 34.348 19.174 1.00 97.68 1SG 190 ATOM 190 O VAL 55 3.786 35.446 18.666 1.00 97.68 1SG 191 ATOM 191 N GLU 56 5.154 33.673 18.873 1.00 96.45 1SG 192 ATOM 192 CA GLU 56 6.008 34.181 17.832 1.00 96.45 1SG 193 ATOM 193 CB GLU 56 7.440 33.607 17.853 1.00 96.45 1SG 194 ATOM 194 CG GLU 56 8.380 34.249 16.822 1.00 96.45 1SG 195 ATOM 195 CD GLU 56 9.824 33.835 17.101 1.00 96.45 1SG 196 ATOM 196 OE1 GLU 56 10.113 33.433 18.260 1.00 96.45 1SG 197 ATOM 197 OE2 GLU 56 10.661 33.929 16.163 1.00 96.45 1SG 198 ATOM 198 C GLU 56 5.378 33.900 16.504 1.00 96.45 1SG 199 ATOM 199 O GLU 56 5.313 34.776 15.643 1.00 96.45 1SG 200 ATOM 200 N GLY 57 4.875 32.660 16.310 1.00 51.69 1SG 201 ATOM 201 CA GLY 57 4.224 32.350 15.068 1.00 51.69 1SG 202 ATOM 202 C GLY 57 3.937 30.882 15.010 1.00 51.69 1SG 203 ATOM 203 O GLY 57 4.830 30.041 15.102 1.00 51.69 1SG 204 ATOM 204 N PRO 58 2.671 30.584 14.887 1.00 80.71 1SG 205 ATOM 205 CA PRO 58 2.242 29.216 14.726 1.00 80.71 1SG 206 ATOM 206 CD PRO 58 1.706 31.360 15.647 1.00 80.71 1SG 207 ATOM 207 CB PRO 58 0.883 29.108 15.431 1.00 80.71 1SG 208 ATOM 208 CG PRO 58 0.400 30.561 15.570 1.00 80.71 1SG 209 ATOM 209 C PRO 58 2.185 28.833 13.275 1.00 80.71 1SG 210 ATOM 210 O PRO 58 2.224 29.719 12.425 1.00 80.71 1SG 211 ATOM 211 N PHE 59 2.102 27.516 12.981 1.00150.41 1SG 212 ATOM 212 CA PHE 59 1.946 27.007 11.643 1.00150.41 1SG 213 ATOM 213 CB PHE 59 3.113 26.115 11.180 1.00150.41 1SG 214 ATOM 214 CG PHE 59 2.933 25.811 9.732 1.00150.41 1SG 215 ATOM 215 CD1 PHE 59 3.287 26.739 8.780 1.00150.41 1SG 216 ATOM 216 CD2 PHE 59 2.425 24.599 9.325 1.00150.41 1SG 217 ATOM 217 CE1 PHE 59 3.132 26.465 7.441 1.00150.41 1SG 218 ATOM 218 CE2 PHE 59 2.266 24.320 7.988 1.00150.41 1SG 219 ATOM 219 CZ PHE 59 2.616 25.255 7.044 1.00150.41 1SG 220 ATOM 220 C PHE 59 0.713 26.162 11.729 1.00150.41 1SG 221 ATOM 221 O PHE 59 0.338 25.753 12.826 1.00150.41 1SG 222 ATOM 222 N SER 60 0.027 25.877 10.601 1.00 88.66 1SG 223 ATOM 223 CA SER 60 -1.218 25.191 10.809 1.00 88.66 1SG 224 ATOM 224 CB SER 60 -2.320 26.194 11.204 1.00 88.66 1SG 225 ATOM 225 OG SER 60 -3.503 25.529 11.609 1.00 88.66 1SG 226 ATOM 226 C SER 60 -1.657 24.459 9.566 1.00 88.66 1SG 227 ATOM 227 O SER 60 -0.956 24.415 8.555 1.00 88.66 1SG 228 ATOM 228 N VAL 61 -2.861 23.848 9.655 1.00115.87 1SG 229 ATOM 229 CA VAL 61 -3.520 23.080 8.632 1.00115.87 1SG 230 ATOM 230 CB VAL 61 -4.834 22.465 9.026 1.00115.87 1SG 231 ATOM 231 CG1 VAL 61 -4.603 21.371 10.073 1.00115.87 1SG 232 ATOM 232 CG2 VAL 61 -5.785 23.585 9.476 1.00115.87 1SG 233 ATOM 233 C VAL 61 -3.848 23.981 7.502 1.00115.87 1SG 234 ATOM 234 O VAL 61 -4.078 23.515 6.392 1.00115.87 1SG 235 ATOM 235 N GLU 62 -3.931 25.294 7.760 1.00 39.67 1SG 236 ATOM 236 CA GLU 62 -4.332 26.206 6.734 1.00 39.67 1SG 237 ATOM 237 CB GLU 62 -4.230 27.665 7.215 1.00 39.67 1SG 238 ATOM 238 CG GLU 62 -4.842 28.700 6.270 1.00 39.67 1SG 239 ATOM 239 CD GLU 62 -4.793 30.047 6.982 1.00 39.67 1SG 240 ATOM 240 OE1 GLU 62 -4.261 30.088 8.124 1.00 39.67 1SG 241 ATOM 241 OE2 GLU 62 -5.287 31.049 6.400 1.00 39.67 1SG 242 ATOM 242 C GLU 62 -3.421 26.031 5.556 1.00 39.67 1SG 243 ATOM 243 O GLU 62 -3.888 25.916 4.424 1.00 39.67 1SG 244 ATOM 244 N GLU 63 -2.097 25.990 5.781 1.00 72.53 1SG 245 ATOM 245 CA GLU 63 -1.217 25.798 4.667 1.00 72.53 1SG 246 ATOM 246 CB GLU 63 0.268 25.990 5.032 1.00 72.53 1SG 247 ATOM 247 CG GLU 63 0.642 27.437 5.369 1.00 72.53 1SG 248 ATOM 248 CD GLU 63 0.182 27.733 6.789 1.00 72.53 1SG 249 ATOM 249 OE1 GLU 63 0.164 26.780 7.612 1.00 72.53 1SG 250 ATOM 250 OE2 GLU 63 -0.154 28.915 7.070 1.00 72.53 1SG 251 ATOM 251 C GLU 63 -1.369 24.401 4.135 1.00 72.53 1SG 252 ATOM 252 O GLU 63 -1.496 24.188 2.931 1.00 72.53 1SG 253 ATOM 253 N LEU 64 -1.415 23.419 5.053 1.00139.46 1SG 254 ATOM 254 CA LEU 64 -1.374 22.013 4.755 1.00139.46 1SG 255 ATOM 255 CB LEU 64 -1.361 21.200 6.056 1.00139.46 1SG 256 ATOM 256 CG LEU 64 -1.300 19.683 5.855 1.00139.46 1SG 257 ATOM 257 CD2 LEU 64 -1.450 18.959 7.202 1.00139.46 1SG 258 ATOM 258 CD1 LEU 64 -0.018 19.282 5.110 1.00139.46 1SG 259 ATOM 259 C LEU 64 -2.547 21.560 3.936 1.00139.46 1SG 260 ATOM 260 O LEU 64 -2.403 20.772 3.002 1.00139.46 1SG 261 ATOM 261 N LEU 65 -3.745 22.052 4.272 1.00132.89 1SG 262 ATOM 262 CA LEU 65 -4.976 21.676 3.646 1.00132.89 1SG 263 ATOM 263 CB LEU 65 -6.109 22.547 4.216 1.00132.89 1SG 264 ATOM 264 CG LEU 65 -7.544 22.097 3.917 1.00132.89 1SG 265 ATOM 265 CD2 LEU 65 -8.524 23.279 3.932 1.00132.89 1SG 266 ATOM 266 CD1 LEU 65 -7.960 20.986 4.886 1.00132.89 1SG 267 ATOM 267 C LEU 65 -4.833 22.057 2.209 1.00132.89 1SG 268 ATOM 268 O LEU 65 -5.129 21.275 1.304 1.00132.89 1SG 269 ATOM 269 N ALA 66 -4.345 23.292 1.991 1.00 35.52 1SG 270 ATOM 270 CA ALA 66 -4.188 23.887 0.697 1.00 35.52 1SG 271 ATOM 271 CB ALA 66 -3.739 25.356 0.781 1.00 35.52 1SG 272 ATOM 272 C ALA 66 -3.163 23.167 -0.120 1.00 35.52 1SG 273 ATOM 273 O ALA 66 -3.373 22.936 -1.310 1.00 35.52 1SG 274 ATOM 274 N HIS 67 -2.029 22.780 0.492 1.00 67.71 1SG 275 ATOM 275 CA HIS 67 -0.959 22.195 -0.268 1.00 67.71 1SG 276 ATOM 276 ND1 HIS 67 0.991 23.387 2.438 1.00 67.71 1SG 277 ATOM 277 CG HIS 67 1.033 22.987 1.122 1.00 67.71 1SG 278 ATOM 278 CB HIS 67 0.273 21.815 0.574 1.00 67.71 1SG 279 ATOM 279 NE2 HIS 67 2.366 24.785 1.393 1.00 67.71 1SG 280 ATOM 280 CD2 HIS 67 1.878 23.851 0.497 1.00 67.71 1SG 281 ATOM 281 CE1 HIS 67 1.806 24.466 2.545 1.00 67.71 1SG 282 ATOM 282 C HIS 67 -1.433 20.934 -0.901 1.00 67.71 1SG 283 ATOM 283 O HIS 67 -1.128 20.651 -2.058 1.00 67.71 1SG 284 ATOM 284 N GLN 68 -2.202 20.142 -0.145 1.00 79.93 1SG 285 ATOM 285 CA GLN 68 -2.654 18.870 -0.610 1.00 79.93 1SG 286 ATOM 286 CB GLN 68 -3.321 18.108 0.537 1.00 79.93 1SG 287 ATOM 287 CG GLN 68 -2.317 18.136 1.694 1.00 79.93 1SG 288 ATOM 288 CD GLN 68 -2.665 17.165 2.795 1.00 79.93 1SG 289 ATOM 289 OE1 GLN 68 -3.671 17.266 3.493 1.00 79.93 1SG 290 ATOM 290 NE2 GLN 68 -1.749 16.181 2.984 1.00 79.93 1SG 291 ATOM 291 C GLN 68 -3.558 19.095 -1.775 1.00 79.93 1SG 292 ATOM 292 O GLN 68 -3.618 18.291 -2.706 1.00 79.93 1SG 293 ATOM 293 N GLU 69 -4.322 20.197 -1.727 1.00 57.08 1SG 294 ATOM 294 CA GLU 69 -5.139 20.569 -2.838 1.00 57.08 1SG 295 ATOM 295 CB GLU 69 -5.925 21.861 -2.569 1.00 57.08 1SG 296 ATOM 296 CG GLU 69 -6.895 21.789 -1.393 1.00 57.08 1SG 297 ATOM 297 CD GLU 69 -7.194 23.224 -0.980 1.00 57.08 1SG 298 ATOM 298 OE1 GLU 69 -6.685 24.153 -1.661 1.00 57.08 1SG 299 ATOM 299 OE2 GLU 69 -7.928 23.409 0.027 1.00 57.08 1SG 300 ATOM 300 C GLU 69 -4.207 20.930 -3.955 1.00 57.08 1SG 301 ATOM 301 O GLU 69 -4.404 20.525 -5.100 1.00 57.08 1SG 302 ATOM 302 N LYS 70 -3.145 21.693 -3.615 1.00 57.94 1SG 303 ATOM 303 CA LYS 70 -2.237 22.271 -4.570 1.00 57.94 1SG 304 ATOM 304 CB LYS 70 -1.121 23.121 -3.932 1.00 57.94 1SG 305 ATOM 305 CG LYS 70 -1.547 24.477 -3.366 1.00 57.94 1SG 306 ATOM 306 CD LYS 70 -0.407 25.173 -2.615 1.00 57.94 1SG 307 ATOM 307 CE LYS 70 -0.672 26.641 -2.279 1.00 57.94 1SG 308 ATOM 308 NZ LYS 70 0.554 27.259 -1.724 1.00 57.94 1SG 309 ATOM 309 C LYS 70 -1.510 21.250 -5.378 1.00 57.94 1SG 310 ATOM 310 O LYS 70 -1.484 21.354 -6.604 1.00 57.94 1SG 311 ATOM 311 N HIS 71 -0.895 20.240 -4.731 1.00105.69 1SG 312 ATOM 312 CA HIS 71 -0.107 19.336 -5.516 1.00105.69 1SG 313 ATOM 313 ND1 HIS 71 1.717 19.356 -2.650 1.00105.69 1SG 314 ATOM 314 CG HIS 71 1.792 18.849 -3.928 1.00105.69 1SG 315 ATOM 315 CB HIS 71 0.629 18.272 -4.683 1.00105.69 1SG 316 ATOM 316 NE2 HIS 71 3.828 19.599 -3.306 1.00105.69 1SG 317 ATOM 317 CD2 HIS 71 3.088 19.006 -4.314 1.00105.69 1SG 318 ATOM 318 CE1 HIS 71 2.962 19.790 -2.328 1.00105.69 1SG 319 ATOM 319 C HIS 71 -1.000 18.664 -6.495 1.00105.69 1SG 320 ATOM 320 O HIS 71 -0.751 18.697 -7.697 1.00105.69 1SG 321 ATOM 321 N LEU 72 -2.088 18.043 -6.014 1.00309.41 1SG 322 ATOM 322 CA LEU 72 -2.982 17.508 -6.986 1.00309.41 1SG 323 ATOM 323 CB LEU 72 -2.349 16.460 -7.914 1.00309.41 1SG 324 ATOM 324 CG LEU 72 -3.337 15.907 -8.955 1.00309.41 1SG 325 ATOM 325 CD2 LEU 72 -2.727 14.737 -9.743 1.00309.41 1SG 326 ATOM 326 CD1 LEU 72 -3.853 17.027 -9.875 1.00309.41 1SG 327 ATOM 327 C LEU 72 -4.106 16.866 -6.260 1.00309.41 1SG 328 ATOM 328 O LEU 72 -3.907 15.989 -5.422 1.00309.41 1SG 329 ATOM 329 N ALA 73 -5.335 17.315 -6.559 1.00217.36 1SG 330 ATOM 330 CA ALA 73 -6.452 16.669 -5.957 1.00217.36 1SG 331 ATOM 331 CB ALA 73 -7.405 17.633 -5.233 1.00217.36 1SG 332 ATOM 332 C ALA 73 -7.197 16.067 -7.090 1.00217.36 1SG 333 ATOM 333 O ALA 73 -7.633 16.772 -8.001 1.00217.36 1SG 334 ATOM 334 N GLU 74 -7.349 14.735 -7.082 1.00238.43 1SG 335 ATOM 335 CA GLU 74 -8.083 14.143 -8.151 1.00238.43 1SG 336 ATOM 336 CB GLU 74 -7.348 12.988 -8.853 1.00238.43 1SG 337 ATOM 337 CG GLU 74 -8.155 12.372 -9.999 1.00238.43 1SG 338 ATOM 338 CD GLU 74 -7.333 11.249 -10.613 1.00238.43 1SG 339 ATOM 339 OE1 GLU 74 -6.213 10.986 -10.100 1.00238.43 1SG 340 ATOM 340 OE2 GLU 74 -7.815 10.639 -11.605 1.00238.43 1SG 341 ATOM 341 C GLU 74 -9.315 13.573 -7.556 1.00238.43 1SG 342 ATOM 342 O GLU 74 -9.269 12.557 -6.860 1.00238.43 1SG 343 ATOM 343 N GLU 75 -10.466 14.220 -7.798 1.00242.02 1SG 344 ATOM 344 CA GLU 75 -11.657 13.638 -7.273 1.00242.02 1SG 345 ATOM 345 CB GLU 75 -12.655 14.634 -6.658 1.00242.02 1SG 346 ATOM 346 CG GLU 75 -13.909 13.943 -6.109 1.00242.02 1SG 347 ATOM 347 CD GLU 75 -14.919 15.000 -5.680 1.00242.02 1SG 348 ATOM 348 OE1 GLU 75 -14.555 16.204 -5.667 1.00242.02 1SG 349 ATOM 349 OE2 GLU 75 -16.077 14.610 -5.365 1.00242.02 1SG 350 ATOM 350 C GLU 75 -12.362 13.028 -8.428 1.00242.02 1SG 351 ATOM 351 O GLU 75 -12.921 13.732 -9.268 1.00242.02 1SG 352 ATOM 352 N ALA 76 -12.333 11.691 -8.515 1.00205.60 1SG 353 ATOM 353 CA ALA 76 -13.086 11.070 -9.554 1.00205.60 1SG 354 ATOM 354 CB ALA 76 -12.334 9.923 -10.248 1.00205.60 1SG 355 ATOM 355 C ALA 76 -14.247 10.488 -8.836 1.00205.60 1SG 356 ATOM 356 O ALA 76 -14.087 9.575 -8.026 1.00205.60 1SG 357 ATOM 357 N PHE 77 -15.458 11.000 -9.106 1.00231.06 1SG 358 ATOM 358 CA PHE 77 -16.545 10.493 -8.334 1.00231.06 1SG 359 ATOM 359 CB PHE 77 -17.427 11.605 -7.747 1.00231.06 1SG 360 ATOM 360 CG PHE 77 -18.478 10.981 -6.893 1.00231.06 1SG 361 ATOM 361 CD1 PHE 77 -18.174 10.597 -5.611 1.00231.06 1SG 362 ATOM 362 CD2 PHE 77 -19.762 10.797 -7.359 1.00231.06 1SG 363 ATOM 363 CE1 PHE 77 -19.124 10.022 -4.801 1.00231.06 1SG 364 ATOM 364 CE2 PHE 77 -20.719 10.224 -6.556 1.00231.06 1SG 365 ATOM 365 CZ PHE 77 -20.400 9.840 -5.276 1.00231.06 1SG 366 ATOM 366 C PHE 77 -17.421 9.671 -9.207 1.00231.06 1SG 367 ATOM 367 O PHE 77 -18.335 10.187 -9.847 1.00231.06 1SG 368 ATOM 368 N LEU 78 -17.159 8.356 -9.256 1.00285.05 1SG 369 ATOM 369 CA LEU 78 -18.101 7.522 -9.921 1.00285.05 1SG 370 ATOM 370 CB LEU 78 -17.547 6.161 -10.379 1.00285.05 1SG 371 ATOM 371 CG LEU 78 -18.574 5.325 -11.166 1.00285.05 1SG 372 ATOM 372 CD2 LEU 78 -18.067 3.894 -11.405 1.00285.05 1SG 373 ATOM 373 CD1 LEU 78 -18.985 6.028 -12.470 1.00285.05 1SG 374 ATOM 374 C LEU 78 -19.068 7.301 -8.822 1.00285.05 1SG 375 ATOM 375 O LEU 78 -18.721 7.519 -7.662 1.00285.05 1SG 376 ATOM 376 N ARG 79 -20.310 6.887 -9.098 1.00199.62 1SG 377 ATOM 377 CA ARG 79 -21.101 6.854 -7.914 1.00199.62 1SG 378 ATOM 378 CB ARG 79 -22.609 6.946 -8.189 1.00199.62 1SG 379 ATOM 379 CG ARG 79 -23.381 7.500 -6.991 1.00199.62 1SG 380 ATOM 380 CD ARG 79 -24.825 7.015 -6.886 1.00199.62 1SG 381 ATOM 381 NE ARG 79 -24.818 5.977 -5.821 1.00199.62 1SG 382 ATOM 382 CZ ARG 79 -25.529 6.168 -4.672 1.00199.62 1SG 383 ATOM 383 NH1 ARG 79 -26.375 7.232 -4.545 1.00199.62 1SG 384 ATOM 384 NH2 ARG 79 -25.379 5.293 -3.635 1.00199.62 1SG 385 ATOM 385 C ARG 79 -20.847 5.556 -7.222 1.00199.62 1SG 386 ATOM 386 O ARG 79 -21.642 5.144 -6.378 1.00199.62 1SG 387 ATOM 387 N ALA 80 -19.723 4.879 -7.538 1.00 77.46 1SG 388 ATOM 388 CA ALA 80 -19.488 3.655 -6.837 1.00 77.46 1SG 389 ATOM 389 CB ALA 80 -18.263 2.884 -7.369 1.00 77.46 1SG 390 ATOM 390 C ALA 80 -19.252 3.981 -5.393 1.00 77.46 1SG 391 ATOM 391 O ALA 80 -20.041 3.550 -4.557 1.00 77.46 1SG 392 ATOM 392 N TYR 81 -18.226 4.834 -5.116 1.00322.95 1SG 393 ATOM 393 CA TYR 81 -17.762 5.325 -3.832 1.00322.95 1SG 394 ATOM 394 CB TYR 81 -17.385 4.227 -2.790 1.00322.95 1SG 395 ATOM 395 CG TYR 81 -18.545 3.402 -2.320 1.00322.95 1SG 396 ATOM 396 CD1 TYR 81 -19.555 3.946 -1.558 1.00322.95 1SG 397 ATOM 397 CD2 TYR 81 -18.621 2.061 -2.636 1.00322.95 1SG 398 ATOM 398 CE1 TYR 81 -20.624 3.181 -1.142 1.00322.95 1SG 399 ATOM 399 CE2 TYR 81 -19.688 1.290 -2.223 1.00322.95 1SG 400 ATOM 400 CZ TYR 81 -20.695 1.847 -1.470 1.00322.95 1SG 401 ATOM 401 OH TYR 81 -21.791 1.061 -1.048 1.00322.95 1SG 402 ATOM 402 C TYR 81 -16.485 6.095 -4.159 1.00322.95 1SG 403 ATOM 403 O TYR 81 -15.650 5.556 -4.890 1.00322.95 1SG 404 ATOM 404 N ALA 82 -16.271 7.351 -3.665 1.00257.89 1SG 405 ATOM 405 CA ALA 82 -15.109 8.124 -4.102 1.00257.89 1SG 406 ATOM 406 CB ALA 82 -15.450 9.122 -5.224 1.00257.89 1SG 407 ATOM 407 C ALA 82 -14.480 8.941 -2.981 1.00257.89 1SG 408 ATOM 408 O ALA 82 -15.093 9.110 -1.930 1.00257.89 1SG 409 ATOM 409 N LYS 83 -13.224 9.466 -3.186 1.00194.21 1SG 410 ATOM 410 CA LYS 83 -12.504 10.215 -2.165 1.00194.21 1SG 411 ATOM 411 CB LYS 83 -11.329 9.442 -1.547 1.00194.21 1SG 412 ATOM 412 CG LYS 83 -11.269 7.957 -1.906 1.00194.21 1SG 413 ATOM 413 CD LYS 83 -9.873 7.397 -1.620 1.00194.21 1SG 414 ATOM 414 CE LYS 83 -9.362 6.353 -2.617 1.00194.21 1SG 415 ATOM 415 NZ LYS 83 -7.905 6.152 -2.417 1.00194.21 1SG 416 ATOM 416 C LYS 83 -11.759 11.355 -2.811 1.00194.21 1SG 417 ATOM 417 O LYS 83 -11.380 11.261 -3.978 1.00194.21 1SG 418 ATOM 418 N ASP 84 -11.515 12.462 -2.060 1.00221.94 1SG 419 ATOM 419 CA ASP 84 -10.705 13.552 -2.556 1.00221.94 1SG 420 ATOM 420 CB ASP 84 -11.274 14.180 -3.840 1.00221.94 1SG 421 ATOM 421 CG ASP 84 -10.166 14.955 -4.534 1.00221.94 1SG 422 ATOM 422 OD1 ASP 84 -8.978 14.581 -4.354 1.00221.94 1SG 423 ATOM 423 OD2 ASP 84 -10.498 15.920 -5.274 1.00221.94 1SG 424 ATOM 424 C ASP 84 -10.645 14.622 -1.492 1.00221.94 1SG 425 ATOM 425 O ASP 84 -11.681 15.199 -1.149 1.00221.94 1SG 426 ATOM 426 N GLU 85 -9.453 14.930 -0.924 1.00122.41 1SG 427 ATOM 427 CA GLU 85 -9.436 15.912 0.130 1.00122.41 1SG 428 ATOM 428 CB GLU 85 -10.373 15.462 1.270 1.00122.41 1SG 429 ATOM 429 CG GLU 85 -11.068 16.586 2.037 1.00122.41 1SG 430 ATOM 430 CD GLU 85 -10.416 16.756 3.394 1.00122.41 1SG 431 ATOM 431 OE1 GLU 85 -9.500 15.957 3.727 1.00122.41 1SG 432 ATOM 432 OE2 GLU 85 -10.834 17.696 4.121 1.00122.41 1SG 433 ATOM 433 C GLU 85 -8.018 15.997 0.625 1.00122.41 1SG 434 ATOM 434 O GLU 85 -7.149 15.335 0.066 1.00122.41 1SG 435 ATOM 435 N PRO 86 -7.723 16.800 1.617 1.00118.55 1SG 436 ATOM 436 CA PRO 86 -6.380 16.838 2.127 1.00118.55 1SG 437 ATOM 437 CD PRO 86 -8.320 18.116 1.687 1.00118.55 1SG 438 ATOM 438 CB PRO 86 -6.328 18.040 3.068 1.00118.55 1SG 439 ATOM 439 CG PRO 86 -7.731 18.660 2.990 1.00118.55 1SG 440 ATOM 440 C PRO 86 -6.016 15.512 2.721 1.00118.55 1SG 441 ATOM 441 O PRO 86 -6.869 14.878 3.339 1.00118.55 1SG 442 ATOM 442 N LEU 87 -4.754 15.084 2.524 1.00147.39 1SG 443 ATOM 443 CA LEU 87 -4.217 13.819 2.935 1.00147.39 1SG 444 ATOM 444 CB LEU 87 -2.798 13.593 2.377 1.00147.39 1SG 445 ATOM 445 CG LEU 87 -2.000 12.456 3.044 1.00147.39 1SG 446 ATOM 446 CD2 LEU 87 -0.587 12.367 2.442 1.00147.39 1SG 447 ATOM 447 CD1 LEU 87 -2.740 11.116 3.011 1.00147.39 1SG 448 ATOM 448 C LEU 87 -4.175 13.650 4.422 1.00147.39 1SG 449 ATOM 449 O LEU 87 -4.474 12.564 4.917 1.00147.39 1SG 450 ATOM 450 N TYR 88 -3.817 14.699 5.187 1.00 85.06 1SG 451 ATOM 451 CA TYR 88 -3.627 14.518 6.603 1.00 85.06 1SG 452 ATOM 452 CB TYR 88 -2.725 15.589 7.237 1.00 85.06 1SG 453 ATOM 453 CG TYR 88 -1.408 15.468 6.558 1.00 85.06 1SG 454 ATOM 454 CD1 TYR 88 -0.619 14.363 6.773 1.00 85.06 1SG 455 ATOM 455 CD2 TYR 88 -0.960 16.454 5.715 1.00 85.06 1SG 456 ATOM 456 CE1 TYR 88 0.599 14.242 6.154 1.00 85.06 1SG 457 ATOM 457 CE2 TYR 88 0.263 16.341 5.093 1.00 85.06 1SG 458 ATOM 458 CZ TYR 88 1.039 15.228 5.305 1.00 85.06 1SG 459 ATOM 459 OH TYR 88 2.292 15.099 4.670 1.00 85.06 1SG 460 ATOM 460 C TYR 88 -4.928 14.553 7.342 1.00 85.06 1SG 461 ATOM 461 O TYR 88 -5.783 15.400 7.092 1.00 85.06 1SG 462 ATOM 462 N ALA 89 -5.116 13.567 8.245 1.00 45.28 1SG 463 ATOM 463 CA ALA 89 -6.275 13.492 9.086 1.00 45.28 1SG 464 ATOM 464 CB ALA 89 -6.348 12.181 9.884 1.00 45.28 1SG 465 ATOM 465 C ALA 89 -6.259 14.611 10.074 1.00 45.28 1SG 466 ATOM 466 O ALA 89 -7.278 15.265 10.286 1.00 45.28 1SG 467 ATOM 467 N TRP 90 -5.098 14.868 10.712 1.00 97.86 1SG 468 ATOM 468 CA TRP 90 -5.071 15.916 11.690 1.00 97.86 1SG 469 ATOM 469 CB TRP 90 -5.256 15.454 13.148 1.00 97.86 1SG 470 ATOM 470 CG TRP 90 -6.545 14.740 13.480 1.00 97.86 1SG 471 ATOM 471 CD2 TRP 90 -6.624 13.334 13.763 1.00 97.86 1SG 472 ATOM 472 CD1 TRP 90 -7.798 15.243 13.674 1.00 97.86 1SG 473 ATOM 473 NE1 TRP 90 -8.658 14.234 14.038 1.00 97.86 1SG 474 ATOM 474 CE2 TRP 90 -7.948 13.055 14.105 1.00 97.86 1SG 475 ATOM 475 CE3 TRP 90 -5.671 12.357 13.745 1.00 97.86 1SG 476 ATOM 476 CZ2 TRP 90 -8.338 11.789 14.435 1.00 97.86 1SG 477 ATOM 477 CZ3 TRP 90 -6.067 11.084 14.083 1.00 97.86 1SG 478 ATOM 478 CH2 TRP 90 -7.375 10.803 14.419 1.00 97.86 1SG 479 ATOM 479 C TRP 90 -3.705 16.515 11.673 1.00 97.86 1SG 480 ATOM 480 O TRP 90 -2.768 15.948 11.116 1.00 97.86 1SG 481 ATOM 481 N VAL 91 -3.566 17.705 12.288 1.00101.75 1SG 482 ATOM 482 CA VAL 91 -2.257 18.274 12.372 1.00101.75 1SG 483 ATOM 483 CB VAL 91 -2.073 19.544 11.603 1.00101.75 1SG 484 ATOM 484 CG1 VAL 91 -2.454 19.294 10.134 1.00101.75 1SG 485 ATOM 485 CG2 VAL 91 -2.846 20.662 12.319 1.00101.75 1SG 486 ATOM 486 C VAL 91 -2.035 18.641 13.802 1.00101.75 1SG 487 ATOM 487 O VAL 91 -2.968 19.020 14.513 1.00101.75 1SG 488 ATOM 488 N LEU 92 -0.785 18.507 14.275 1.00122.59 1SG 489 ATOM 489 CA LEU 92 -0.497 18.925 15.613 1.00122.59 1SG 490 ATOM 490 CB LEU 92 0.162 17.840 16.478 1.00122.59 1SG 491 ATOM 491 CG LEU 92 0.462 18.308 17.913 1.00122.59 1SG 492 ATOM 492 CD2 LEU 92 1.331 17.285 18.660 1.00122.59 1SG 493 ATOM 493 CD1 LEU 92 -0.829 18.657 18.670 1.00122.59 1SG 494 ATOM 494 C LEU 92 0.479 20.042 15.483 1.00122.59 1SG 495 ATOM 495 O LEU 92 1.553 19.881 14.901 1.00122.59 1SG 496 ATOM 496 N GLU 93 0.118 21.223 16.015 1.00 36.72 1SG 497 ATOM 497 CA GLU 93 0.973 22.367 15.923 1.00 36.72 1SG 498 ATOM 498 CB GLU 93 0.223 23.707 16.047 1.00 36.72 1SG 499 ATOM 499 CG GLU 93 -0.728 24.013 14.890 1.00 36.72 1SG 500 ATOM 500 CD GLU 93 -1.377 25.362 15.174 1.00 36.72 1SG 501 ATOM 501 OE1 GLU 93 -1.041 25.968 16.229 1.00 36.72 1SG 502 ATOM 502 OE2 GLU 93 -2.212 25.807 14.345 1.00 36.72 1SG 503 ATOM 503 C GLU 93 1.942 22.318 17.060 1.00 36.72 1SG 504 ATOM 504 O GLU 93 1.796 21.524 17.989 1.00 36.72 1SG 505 ATOM 505 N ASN 94 2.988 23.163 16.979 1.00 54.04 1SG 506 ATOM 506 CA ASN 94 3.943 23.309 18.038 1.00 54.04 1SG 507 ATOM 507 CB ASN 94 5.064 24.311 17.713 1.00 54.04 1SG 508 ATOM 508 CG ASN 94 5.970 23.689 16.660 1.00 54.04 1SG 509 ATOM 509 OD1 ASN 94 6.841 24.355 16.103 1.00 54.04 1SG 510 ATOM 510 ND2 ASN 94 5.759 22.376 16.376 1.00 54.04 1SG 511 ATOM 511 C ASN 94 3.149 23.862 19.172 1.00 54.04 1SG 512 ATOM 512 O ASN 94 3.439 23.633 20.345 1.00 54.04 1SG 513 ATOM 513 N ALA 95 2.096 24.606 18.798 1.00 71.45 1SG 514 ATOM 514 CA ALA 95 1.148 25.218 19.675 1.00 71.45 1SG 515 ATOM 515 CB ALA 95 0.028 25.959 18.925 1.00 71.45 1SG 516 ATOM 516 C ALA 95 0.521 24.101 20.439 1.00 71.45 1SG 517 ATOM 517 O ALA 95 0.027 24.298 21.548 1.00 71.45 1SG 518 ATOM 518 N PHE 96 0.547 22.887 19.850 1.00260.59 1SG 519 ATOM 519 CA PHE 96 -0.087 21.737 20.423 1.00260.59 1SG 520 ATOM 520 CB PHE 96 0.219 21.594 21.932 1.00260.59 1SG 521 ATOM 521 CG PHE 96 -0.403 20.356 22.487 1.00260.59 1SG 522 ATOM 522 CD1 PHE 96 0.152 19.123 22.238 1.00260.59 1SG 523 ATOM 523 CD2 PHE 96 -1.527 20.430 23.281 1.00260.59 1SG 524 ATOM 524 CE1 PHE 96 -0.413 17.980 22.755 1.00260.59 1SG 525 ATOM 525 CE2 PHE 96 -2.095 19.291 23.801 1.00260.59 1SG 526 ATOM 526 CZ PHE 96 -1.542 18.062 23.534 1.00260.59 1SG 527 ATOM 527 C PHE 96 -1.550 21.911 20.204 1.00260.59 1SG 528 ATOM 528 O PHE 96 -2.384 21.234 20.804 1.00260.59 1SG 529 ATOM 529 N ARG 97 -1.890 22.829 19.281 1.00117.55 1SG 530 ATOM 530 CA ARG 97 -3.250 23.003 18.878 1.00117.55 1SG 531 ATOM 531 CB ARG 97 -3.462 24.264 18.025 1.00117.55 1SG 532 ATOM 532 CG ARG 97 -4.916 24.532 17.640 1.00117.55 1SG 533 ATOM 533 CD ARG 97 -5.074 25.795 16.794 1.00117.55 1SG 534 ATOM 534 NE ARG 97 -6.520 25.962 16.483 1.00117.55 1SG 535 ATOM 535 CZ ARG 97 -6.983 27.184 16.089 1.00117.55 1SG 536 ATOM 536 NH1 ARG 97 -6.118 28.233 15.970 1.00117.55 1SG 537 ATOM 537 NH2 ARG 97 -8.310 27.358 15.820 1.00117.55 1SG 538 ATOM 538 C ARG 97 -3.541 21.809 18.032 1.00117.55 1SG 539 ATOM 539 O ARG 97 -2.642 21.271 17.387 1.00117.55 1SG 540 ATOM 540 N TYR 98 -4.803 21.345 18.018 1.00 96.09 1SG 541 ATOM 541 CA TYR 98 -5.070 20.143 17.288 1.00 96.09 1SG 542 ATOM 542 CB TYR 98 -5.686 19.060 18.188 1.00 96.09 1SG 543 ATOM 543 CG TYR 98 -5.496 17.739 17.538 1.00 96.09 1SG 544 ATOM 544 CD1 TYR 98 -4.280 17.113 17.671 1.00 96.09 1SG 545 ATOM 545 CD2 TYR 98 -6.497 17.126 16.822 1.00 96.09 1SG 546 ATOM 546 CE1 TYR 98 -4.054 15.889 17.099 1.00 96.09 1SG 547 ATOM 547 CE2 TYR 98 -6.276 15.896 16.244 1.00 96.09 1SG 548 ATOM 548 CZ TYR 98 -5.053 15.281 16.383 1.00 96.09 1SG 549 ATOM 549 OH TYR 98 -4.814 14.022 15.797 1.00 96.09 1SG 550 ATOM 550 C TYR 98 -6.082 20.481 16.241 1.00 96.09 1SG 551 ATOM 551 O TYR 98 -7.055 21.184 16.512 1.00 96.09 1SG 552 ATOM 552 N GLU 99 -5.869 20.001 15.000 1.00 50.25 1SG 553 ATOM 553 CA GLU 99 -6.814 20.292 13.960 1.00 50.25 1SG 554 ATOM 554 CB GLU 99 -6.256 21.238 12.891 1.00 50.25 1SG 555 ATOM 555 CG GLU 99 -6.094 22.650 13.459 1.00 50.25 1SG 556 ATOM 556 CD GLU 99 -5.307 23.496 12.477 1.00 50.25 1SG 557 ATOM 557 OE1 GLU 99 -4.156 23.099 12.155 1.00 50.25 1SG 558 ATOM 558 OE2 GLU 99 -5.844 24.550 12.044 1.00 50.25 1SG 559 ATOM 559 C GLU 99 -7.225 18.992 13.351 1.00 50.25 1SG 560 ATOM 560 O GLU 99 -6.454 18.033 13.346 1.00 50.25 1SG 561 ATOM 561 N LYS 100 -8.468 18.922 12.824 1.00122.78 1SG 562 ATOM 562 CA LYS 100 -8.958 17.638 12.413 1.00122.78 1SG 563 ATOM 563 CB LYS 100 -10.079 17.170 13.355 1.00122.78 1SG 564 ATOM 564 CG LYS 100 -10.786 15.884 12.934 1.00122.78 1SG 565 ATOM 565 CD LYS 100 -11.783 15.394 13.988 1.00122.78 1SG 566 ATOM 566 CE LYS 100 -12.581 14.162 13.561 1.00122.78 1SG 567 ATOM 567 NZ LYS 100 -13.391 13.664 14.697 1.00122.78 1SG 568 ATOM 568 C LYS 100 -9.574 17.630 11.045 1.00122.78 1SG 569 ATOM 569 O LYS 100 -10.760 17.929 10.922 1.00122.78 1SG 570 ATOM 570 N PRO 101 -8.848 17.310 10.002 1.00177.66 1SG 571 ATOM 571 CA PRO 101 -9.549 17.041 8.775 1.00177.66 1SG 572 ATOM 572 CD PRO 101 -7.605 18.013 9.740 1.00177.66 1SG 573 ATOM 573 CB PRO 101 -8.529 17.204 7.641 1.00177.66 1SG 574 ATOM 574 CG PRO 101 -7.191 17.494 8.355 1.00177.66 1SG 575 ATOM 575 C PRO 101 -10.190 15.683 8.948 1.00177.66 1SG 576 ATOM 576 O PRO 101 -9.466 14.704 9.123 1.00177.66 1SG 577 ATOM 577 N LEU 102 -11.537 15.602 8.894 1.00 92.83 1SG 578 ATOM 578 CA LEU 102 -12.266 14.398 9.225 1.00 92.83 1SG 579 ATOM 579 CB LEU 102 -13.740 14.668 9.561 1.00 92.83 1SG 580 ATOM 580 CG LEU 102 -14.501 13.401 9.995 1.00 92.83 1SG 581 ATOM 581 CD2 LEU 102 -16.005 13.682 10.130 1.00 92.83 1SG 582 ATOM 582 CD1 LEU 102 -13.899 12.798 11.276 1.00 92.83 1SG 583 ATOM 583 C LEU 102 -12.246 13.270 8.230 1.00 92.83 1SG 584 ATOM 584 O LEU 102 -12.033 12.123 8.619 1.00 92.83 1SG 585 ATOM 585 N HIS 103 -12.449 13.534 6.923 1.00126.82 1SG 586 ATOM 586 CA HIS 103 -12.696 12.403 6.067 1.00126.82 1SG 587 ATOM 587 ND1 HIS 103 -12.860 11.418 2.730 1.00126.82 1SG 588 ATOM 588 CG HIS 103 -12.832 12.585 3.462 1.00126.82 1SG 589 ATOM 589 CB HIS 103 -13.524 12.708 4.789 1.00126.82 1SG 590 ATOM 590 NE2 HIS 103 -11.679 12.877 1.545 1.00126.82 1SG 591 ATOM 591 CD2 HIS 103 -12.105 13.467 2.718 1.00126.82 1SG 592 ATOM 592 CE1 HIS 103 -12.157 11.644 1.593 1.00126.82 1SG 593 ATOM 593 C HIS 103 -11.413 11.717 5.720 1.00126.82 1SG 594 ATOM 594 O HIS 103 -10.334 12.165 6.103 1.00126.82 1SG 595 ATOM 595 N VAL 104 -11.537 10.579 5.003 1.00 60.81 1SG 596 ATOM 596 CA VAL 104 -10.454 9.722 4.626 1.00 60.81 1SG 597 ATOM 597 CB VAL 104 -10.791 8.779 3.510 1.00 60.81 1SG 598 ATOM 598 CG1 VAL 104 -9.545 7.931 3.201 1.00 60.81 1SG 599 ATOM 599 CG2 VAL 104 -12.030 7.964 3.897 1.00 60.81 1SG 600 ATOM 600 C VAL 104 -9.317 10.554 4.139 1.00 60.81 1SG 601 ATOM 601 O VAL 104 -9.449 11.560 3.448 1.00 60.81 1SG 602 ATOM 602 N PRO 105 -8.188 10.096 4.586 1.00 76.90 1SG 603 ATOM 603 CA PRO 105 -6.922 10.689 4.267 1.00 76.90 1SG 604 ATOM 604 CD PRO 105 -8.140 9.303 5.801 1.00 76.90 1SG 605 ATOM 605 CB PRO 105 -5.950 10.195 5.346 1.00 76.90 1SG 606 ATOM 606 CG PRO 105 -6.652 8.984 5.985 1.00 76.90 1SG 607 ATOM 607 C PRO 105 -6.537 10.282 2.887 1.00 76.90 1SG 608 ATOM 608 O PRO 105 -7.180 9.387 2.340 1.00 76.90 1SG 609 ATOM 609 N ARG 106 -5.517 10.937 2.296 1.00158.13 1SG 610 ATOM 610 CA ARG 106 -5.070 10.531 0.995 1.00158.13 1SG 611 ATOM 611 CB ARG 106 -4.174 11.586 0.322 1.00158.13 1SG 612 ATOM 612 CG ARG 106 -3.592 11.154 -1.026 1.00158.13 1SG 613 ATOM 613 CD ARG 106 -2.618 12.180 -1.613 1.00158.13 1SG 614 ATOM 614 NE ARG 106 -2.020 11.599 -2.848 1.00158.13 1SG 615 ATOM 615 CZ ARG 106 -1.484 12.423 -3.796 1.00158.13 1SG 616 ATOM 616 NH1 ARG 106 -1.510 13.776 -3.618 1.00158.13 1SG 617 ATOM 617 NH2 ARG 106 -0.927 11.896 -4.925 1.00158.13 1SG 618 ATOM 618 C ARG 106 -4.230 9.321 1.226 1.00158.13 1SG 619 ATOM 619 O ARG 106 -3.038 9.299 0.921 1.00158.13 1SG 620 ATOM 620 N ARG 107 -4.872 8.287 1.792 1.00360.83 1SG 621 ATOM 621 CA ARG 107 -4.292 7.028 2.133 1.00360.83 1SG 622 ATOM 622 CB ARG 107 -3.405 7.141 3.382 1.00360.83 1SG 623 ATOM 623 CG ARG 107 -4.112 7.877 4.514 1.00360.83 1SG 624 ATOM 624 CD ARG 107 -3.214 8.890 5.227 1.00360.83 1SG 625 ATOM 625 NE ARG 107 -2.374 8.115 6.172 1.00360.83 1SG 626 ATOM 626 CZ ARG 107 -2.982 7.697 7.314 1.00360.83 1SG 627 ATOM 627 NH1 ARG 107 -4.298 8.008 7.490 1.00360.83 1SG 628 ATOM 628 NH2 ARG 107 -2.310 6.955 8.240 1.00360.83 1SG 629 ATOM 629 C ARG 107 -5.454 6.095 2.323 1.00360.83 1SG 630 ATOM 630 O ARG 107 -6.495 6.470 2.861 1.00360.83 1SG 631 ATOM 631 N PRO 108 -5.289 4.881 1.878 1.00196.97 1SG 632 ATOM 632 CA PRO 108 -6.369 3.929 1.819 1.00196.97 1SG 633 ATOM 633 CD PRO 108 -3.992 4.230 1.940 1.00196.97 1SG 634 ATOM 634 CB PRO 108 -5.717 2.598 1.449 1.00196.97 1SG 635 ATOM 635 CG PRO 108 -4.305 2.727 2.046 1.00196.97 1SG 636 ATOM 636 C PRO 108 -7.216 3.805 3.049 1.00196.97 1SG 637 ATOM 637 O PRO 108 -8.426 3.999 2.943 1.00196.97 1SG 638 ATOM 638 N GLY 109 -6.635 3.497 4.223 1.00 87.91 1SG 639 ATOM 639 CA GLY 109 -7.489 3.356 5.368 1.00 87.91 1SG 640 ATOM 640 C GLY 109 -6.623 3.341 6.575 1.00 87.91 1SG 641 ATOM 641 O GLY 109 -6.092 2.306 6.976 1.00 87.91 1SG 642 ATOM 642 N ARG 110 -6.490 4.516 7.203 1.00118.76 1SG 643 ATOM 643 CA ARG 110 -5.661 4.648 8.354 1.00118.76 1SG 644 ATOM 644 CB ARG 110 -4.170 4.499 7.994 1.00118.76 1SG 645 ATOM 645 CG ARG 110 -3.193 4.390 9.165 1.00118.76 1SG 646 ATOM 646 CD ARG 110 -1.752 4.179 8.692 1.00118.76 1SG 647 ATOM 647 NE ARG 110 -0.855 4.170 9.878 1.00118.76 1SG 648 ATOM 648 CZ ARG 110 0.491 4.041 9.681 1.00118.76 1SG 649 ATOM 649 NH1 ARG 110 0.975 3.943 8.408 1.00118.76 1SG 650 ATOM 650 NH2 ARG 110 1.343 4.004 10.744 1.00118.76 1SG 651 ATOM 651 C ARG 110 -5.911 6.042 8.804 1.00118.76 1SG 652 ATOM 652 O ARG 110 -6.597 6.795 8.116 1.00118.76 1SG 653 ATOM 653 N VAL 111 -5.402 6.431 9.982 1.00 88.30 1SG 654 ATOM 654 CA VAL 111 -5.613 7.797 10.338 1.00 88.30 1SG 655 ATOM 655 CB VAL 111 -6.236 7.979 11.687 1.00 88.30 1SG 656 ATOM 656 CG1 VAL 111 -5.223 7.585 12.774 1.00 88.30 1SG 657 ATOM 657 CG2 VAL 111 -6.760 9.419 11.765 1.00 88.30 1SG 658 ATOM 658 C VAL 111 -4.266 8.434 10.321 1.00 88.30 1SG 659 ATOM 659 O VAL 111 -3.300 7.875 10.836 1.00 88.30 1SG 660 ATOM 660 N MET 112 -4.157 9.623 9.699 1.00 92.36 1SG 661 ATOM 661 CA MET 112 -2.857 10.207 9.591 1.00 92.36 1SG 662 ATOM 662 CB MET 112 -2.522 10.706 8.172 1.00 92.36 1SG 663 ATOM 663 CG MET 112 -1.051 11.083 7.979 1.00 92.36 1SG 664 ATOM 664 SD MET 112 -0.550 11.339 6.249 1.00 92.36 1SG 665 ATOM 665 CE MET 112 1.225 11.401 6.630 1.00 92.36 1SG 666 ATOM 666 C MET 112 -2.786 11.357 10.532 1.00 92.36 1SG 667 ATOM 667 O MET 112 -3.637 12.247 10.533 1.00 92.36 1SG 668 ATOM 668 N PHE 113 -1.745 11.339 11.378 1.00 37.74 1SG 669 ATOM 669 CA PHE 113 -1.537 12.362 12.352 1.00 37.74 1SG 670 ATOM 670 CB PHE 113 -1.374 11.783 13.770 1.00 37.74 1SG 671 ATOM 671 CG PHE 113 -0.982 12.877 14.701 1.00 37.74 1SG 672 ATOM 672 CD1 PHE 113 -1.916 13.744 15.216 1.00 37.74 1SG 673 ATOM 673 CD2 PHE 113 0.337 13.023 15.064 1.00 37.74 1SG 674 ATOM 674 CE1 PHE 113 -1.535 14.745 16.079 1.00 37.74 1SG 675 ATOM 675 CE2 PHE 113 0.723 14.021 15.927 1.00 37.74 1SG 676 ATOM 676 CZ PHE 113 -0.214 14.888 16.432 1.00 37.74 1SG 677 ATOM 677 C PHE 113 -0.270 13.048 11.981 1.00 37.74 1SG 678 ATOM 678 O PHE 113 0.713 12.405 11.617 1.00 37.74 1SG 679 ATOM 679 N VAL 114 -0.272 14.392 12.039 1.00 21.03 1SG 680 ATOM 680 CA VAL 114 0.916 15.117 11.707 1.00 21.03 1SG 681 ATOM 681 CB VAL 114 0.691 16.151 10.646 1.00 21.03 1SG 682 ATOM 682 CG1 VAL 114 2.011 16.886 10.360 1.00 21.03 1SG 683 ATOM 683 CG2 VAL 114 0.111 15.439 9.418 1.00 21.03 1SG 684 ATOM 684 C VAL 114 1.335 15.850 12.970 1.00 21.03 1SG 685 ATOM 685 O VAL 114 0.503 15.907 13.916 1.00 21.03 1SG 686 ATOM 686 OXT VAL 114 2.484 16.363 13.009 1.00 21.03 1SG 687 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.545 REMARK SCORE 0.545 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 15 PARENT 1N13_B ATOM 1 N ARG 22 16.028 6.081 -2.535 1.00 94.26 1SG 2 ATOM 2 CA ARG 22 16.160 6.072 -4.007 1.00 94.26 1SG 3 ATOM 3 CB ARG 22 17.479 5.383 -4.397 1.00 94.26 1SG 4 ATOM 4 CG ARG 22 18.712 6.169 -3.945 1.00 94.26 1SG 5 ATOM 5 CD ARG 22 20.036 5.412 -4.095 1.00 94.26 1SG 6 ATOM 6 NE ARG 22 20.177 4.976 -5.516 1.00 94.26 1SG 7 ATOM 7 CZ ARG 22 21.424 4.753 -6.040 1.00 94.26 1SG 8 ATOM 8 NH1 ARG 22 22.535 4.983 -5.295 1.00 94.26 1SG 9 ATOM 9 NH2 ARG 22 21.558 4.261 -7.313 1.00 94.26 1SG 10 ATOM 10 C ARG 22 15.021 5.334 -4.620 1.00 94.26 1SG 11 ATOM 11 O ARG 22 14.842 4.142 -4.373 1.00 94.26 1SG 12 ATOM 12 N LYS 23 14.194 6.030 -5.424 1.00 80.72 1SG 13 ATOM 13 CA LYS 23 13.138 5.310 -6.064 1.00 80.72 1SG 14 ATOM 14 CB LYS 23 12.192 6.212 -6.883 1.00 80.72 1SG 15 ATOM 15 CG LYS 23 11.601 7.364 -6.062 1.00 80.72 1SG 16 ATOM 16 CD LYS 23 12.630 8.454 -5.733 1.00 80.72 1SG 17 ATOM 17 CE LYS 23 12.072 9.647 -4.950 1.00 80.72 1SG 18 ATOM 18 NZ LYS 23 13.140 10.652 -4.742 1.00 80.72 1SG 19 ATOM 19 C LYS 23 13.865 4.420 -7.006 1.00 80.72 1SG 20 ATOM 20 O LYS 23 14.658 4.892 -7.816 1.00 80.72 1SG 21 ATOM 21 N VAL 24 13.638 3.098 -6.936 1.00 86.40 1SG 22 ATOM 22 CA VAL 24 14.464 2.321 -7.800 1.00 86.40 1SG 23 ATOM 23 CB VAL 24 15.771 1.983 -7.154 1.00 86.40 1SG 24 ATOM 24 CG1 VAL 24 15.578 0.769 -6.227 1.00 86.40 1SG 25 ATOM 25 CG2 VAL 24 16.830 1.841 -8.252 1.00 86.40 1SG 26 ATOM 26 C VAL 24 13.765 1.046 -8.135 1.00 86.40 1SG 27 ATOM 27 O VAL 24 12.852 0.613 -7.439 1.00 86.40 1SG 28 ATOM 28 N TRP 25 14.184 0.427 -9.256 1.00138.11 1SG 29 ATOM 29 CA TRP 25 13.657 -0.833 -9.685 1.00138.11 1SG 30 ATOM 30 CB TRP 25 13.227 -0.805 -11.158 1.00138.11 1SG 31 ATOM 31 CG TRP 25 12.657 -2.090 -11.701 1.00138.11 1SG 32 ATOM 32 CD2 TRP 25 11.251 -2.395 -11.748 1.00138.11 1SG 33 ATOM 33 CD1 TRP 25 13.299 -3.149 -12.263 1.00138.11 1SG 34 ATOM 34 NE1 TRP 25 12.390 -4.097 -12.663 1.00138.11 1SG 35 ATOM 35 CE2 TRP 25 11.122 -3.645 -12.351 1.00138.11 1SG 36 ATOM 36 CE3 TRP 25 10.162 -1.688 -11.330 1.00138.11 1SG 37 ATOM 37 CZ2 TRP 25 9.897 -4.210 -12.546 1.00138.11 1SG 38 ATOM 38 CZ3 TRP 25 8.926 -2.262 -11.522 1.00138.11 1SG 39 ATOM 39 CH2 TRP 25 8.796 -3.500 -12.119 1.00138.11 1SG 40 ATOM 40 C TRP 25 14.798 -1.785 -9.547 1.00138.11 1SG 41 ATOM 41 O TRP 25 15.919 -1.473 -9.939 1.00138.11 1SG 42 ATOM 42 N GLU 26 14.560 -2.974 -8.961 1.00 88.29 1SG 43 ATOM 43 CA GLU 26 15.689 -3.835 -8.772 1.00 88.29 1SG 44 ATOM 44 CB GLU 26 16.424 -3.545 -7.458 1.00 88.29 1SG 45 ATOM 45 CG GLU 26 15.541 -3.753 -6.227 1.00 88.29 1SG 46 ATOM 46 CD GLU 26 16.366 -3.436 -4.989 1.00 88.29 1SG 47 ATOM 47 OE1 GLU 26 17.509 -2.930 -5.157 1.00 88.29 1SG 48 ATOM 48 OE2 GLU 26 15.863 -3.684 -3.861 1.00 88.29 1SG 49 ATOM 49 C GLU 26 15.238 -5.253 -8.688 1.00 88.29 1SG 50 ATOM 50 O GLU 26 14.069 -5.541 -8.443 1.00 88.29 1SG 51 ATOM 51 N ILE 27 16.190 -6.173 -8.932 1.00 98.62 1SG 52 ATOM 52 CA ILE 27 15.953 -7.573 -8.761 1.00 98.62 1SG 53 ATOM 53 CB ILE 27 15.836 -8.363 -10.028 1.00 98.62 1SG 54 ATOM 54 CG2 ILE 27 17.207 -8.377 -10.722 1.00 98.62 1SG 55 ATOM 55 CG1 ILE 27 15.270 -9.755 -9.702 1.00 98.62 1SG 56 ATOM 56 CD1 ILE 27 14.690 -10.495 -10.904 1.00 98.62 1SG 57 ATOM 57 C ILE 27 17.114 -8.067 -7.973 1.00 98.62 1SG 58 ATOM 58 O ILE 27 18.145 -7.397 -7.921 1.00 98.62 1SG 59 ATOM 59 N ARG 28 16.951 -9.209 -7.276 1.00128.42 1SG 60 ATOM 60 CA ARG 28 18.021 -9.729 -6.477 1.00128.42 1SG 61 ATOM 61 CB ARG 28 18.026 -9.150 -5.057 1.00128.42 1SG 62 ATOM 62 CG ARG 28 16.701 -9.421 -4.337 1.00128.42 1SG 63 ATOM 63 CD ARG 28 16.632 -8.892 -2.905 1.00128.42 1SG 64 ATOM 64 NE ARG 28 15.219 -9.037 -2.448 1.00128.42 1SG 65 ATOM 65 CZ ARG 28 14.775 -10.227 -1.949 1.00128.42 1SG 66 ATOM 66 NH1 ARG 28 15.624 -11.293 -1.873 1.00128.42 1SG 67 ATOM 67 NH2 ARG 28 13.481 -10.353 -1.531 1.00128.42 1SG 68 ATOM 68 C ARG 28 17.795 -11.191 -6.306 1.00128.42 1SG 69 ATOM 69 O ARG 28 16.659 -11.660 -6.358 1.00128.42 1SG 70 ATOM 70 N ARG 29 18.880 -11.967 -6.119 1.00 67.62 1SG 71 ATOM 71 CA ARG 29 18.647 -13.344 -5.818 1.00 67.62 1SG 72 ATOM 72 CB ARG 29 18.822 -14.341 -6.974 1.00 67.62 1SG 73 ATOM 73 CG ARG 29 18.234 -15.703 -6.591 1.00 67.62 1SG 74 ATOM 74 CD ARG 29 18.532 -16.851 -7.554 1.00 67.62 1SG 75 ATOM 75 NE ARG 29 17.854 -18.057 -6.996 1.00 67.62 1SG 76 ATOM 76 CZ ARG 29 18.415 -19.294 -7.126 1.00 67.62 1SG 77 ATOM 77 NH1 ARG 29 19.617 -19.438 -7.755 1.00 67.62 1SG 78 ATOM 78 NH2 ARG 29 17.779 -20.388 -6.613 1.00 67.62 1SG 79 ATOM 79 C ARG 29 19.605 -13.752 -4.755 1.00 67.62 1SG 80 ATOM 80 O ARG 29 20.743 -13.286 -4.708 1.00 67.62 1SG 81 ATOM 81 N ARG 30 19.135 -14.625 -3.847 1.00 60.69 1SG 82 ATOM 82 CA ARG 30 19.986 -15.144 -2.824 1.00 60.69 1SG 83 ATOM 83 CB ARG 30 19.571 -14.734 -1.402 1.00 60.69 1SG 84 ATOM 84 CG ARG 30 19.786 -13.247 -1.117 1.00 60.69 1SG 85 ATOM 85 CD ARG 30 19.376 -12.826 0.296 1.00 60.69 1SG 86 ATOM 86 NE ARG 30 19.629 -11.362 0.407 1.00 60.69 1SG 87 ATOM 87 CZ ARG 30 18.758 -10.567 1.095 1.00 60.69 1SG 88 ATOM 88 NH1 ARG 30 17.642 -11.110 1.665 1.00 60.69 1SG 89 ATOM 89 NH2 ARG 30 19.004 -9.230 1.213 1.00 60.69 1SG 90 ATOM 90 C ARG 30 19.857 -16.623 -2.912 1.00 60.69 1SG 91 ATOM 91 O ARG 30 18.761 -17.150 -3.096 1.00 60.69 1SG 92 ATOM 92 N LYS 31 20.990 -17.335 -2.809 1.00 83.52 1SG 93 ATOM 93 CA LYS 31 20.938 -18.761 -2.895 1.00 83.52 1SG 94 ATOM 94 CB LYS 31 21.582 -19.295 -4.191 1.00 83.52 1SG 95 ATOM 95 CG LYS 31 21.566 -20.817 -4.363 1.00 83.52 1SG 96 ATOM 96 CD LYS 31 21.973 -21.261 -5.773 1.00 83.52 1SG 97 ATOM 97 CE LYS 31 21.966 -22.778 -5.989 1.00 83.52 1SG 98 ATOM 98 NZ LYS 31 22.372 -23.094 -7.378 1.00 83.52 1SG 99 ATOM 99 C LYS 31 21.741 -19.284 -1.758 1.00 83.52 1SG 100 ATOM 100 O LYS 31 22.722 -18.668 -1.349 1.00 83.52 1SG 101 ATOM 101 N THR 32 21.300 -20.405 -1.159 1.00165.15 1SG 102 ATOM 102 CA THR 32 22.131 -20.973 -0.147 1.00165.15 1SG 103 ATOM 103 CB THR 32 21.559 -20.888 1.236 1.00165.15 1SG 104 ATOM 104 OG1 THR 32 22.533 -21.309 2.179 1.00165.15 1SG 105 ATOM 105 CG2 THR 32 20.308 -21.776 1.326 1.00165.15 1SG 106 ATOM 106 C THR 32 22.326 -22.416 -0.483 1.00165.15 1SG 107 ATOM 107 O THR 32 22.425 -23.259 0.407 1.00165.15 1SG 108 ATOM 108 N ARG 33 22.410 -22.734 -1.788 1.00118.76 1SG 109 ATOM 109 CA ARG 33 22.661 -24.094 -2.168 1.00118.76 1SG 110 ATOM 110 CB ARG 33 21.835 -24.582 -3.371 1.00118.76 1SG 111 ATOM 111 CG ARG 33 22.334 -25.927 -3.907 1.00118.76 1SG 112 ATOM 112 CD ARG 33 21.704 -26.348 -5.237 1.00118.76 1SG 113 ATOM 113 NE ARG 33 22.541 -27.456 -5.779 1.00118.76 1SG 114 ATOM 114 CZ ARG 33 22.519 -27.742 -7.114 1.00118.76 1SG 115 ATOM 115 NH1 ARG 33 21.655 -27.086 -7.942 1.00118.76 1SG 116 ATOM 116 NH2 ARG 33 23.372 -28.680 -7.622 1.00118.76 1SG 117 ATOM 117 C ARG 33 24.074 -24.119 -2.610 1.00118.76 1SG 118 ATOM 118 O ARG 33 24.388 -23.587 -3.674 1.00118.76 1SG 119 ATOM 119 N HIS 34 24.942 -24.794 -1.832 1.00 98.98 1SG 120 ATOM 120 CA HIS 34 26.350 -24.804 -2.095 1.00 98.98 1SG 121 ATOM 121 ND1 HIS 34 26.306 -25.604 1.165 1.00 98.98 1SG 122 ATOM 122 CG HIS 34 27.260 -25.382 0.210 1.00 98.98 1SG 123 ATOM 123 CB HIS 34 27.148 -25.799 -1.227 1.00 98.98 1SG 124 ATOM 124 NE2 HIS 34 27.967 -24.530 2.173 1.00 98.98 1SG 125 ATOM 125 CD2 HIS 34 28.276 -24.723 0.842 1.00 98.98 1SG 126 ATOM 126 CE1 HIS 34 26.774 -25.078 2.327 1.00 98.98 1SG 127 ATOM 127 C HIS 34 26.594 -25.174 -3.516 1.00 98.98 1SG 128 ATOM 128 O HIS 34 25.849 -25.942 -4.122 1.00 98.98 1SG 129 ATOM 129 N ARG 35 27.657 -24.578 -4.084 1.00185.92 1SG 130 ATOM 130 CA ARG 35 28.060 -24.764 -5.445 1.00185.92 1SG 131 ATOM 131 CB ARG 35 28.519 -26.195 -5.784 1.00185.92 1SG 132 ATOM 132 CG ARG 35 29.226 -26.253 -7.141 1.00185.92 1SG 133 ATOM 133 CD ARG 35 29.730 -27.641 -7.541 1.00185.92 1SG 134 ATOM 134 NE ARG 35 30.557 -27.462 -8.769 1.00185.92 1SG 135 ATOM 135 CZ ARG 35 31.186 -28.525 -9.350 1.00185.92 1SG 136 ATOM 136 NH1 ARG 35 31.055 -29.777 -8.823 1.00185.92 1SG 137 ATOM 137 NH2 ARG 35 31.948 -28.329 -10.466 1.00185.92 1SG 138 ATOM 138 C ARG 35 26.938 -24.403 -6.374 1.00185.92 1SG 139 ATOM 139 O ARG 35 26.575 -25.197 -7.239 1.00185.92 1SG 140 ATOM 140 N GLY 36 26.360 -23.191 -6.239 1.00121.58 1SG 141 ATOM 141 CA GLY 36 25.325 -22.868 -7.187 1.00121.58 1SG 142 ATOM 142 C GLY 36 25.551 -21.480 -7.718 1.00121.58 1SG 143 ATOM 143 O GLY 36 25.048 -20.508 -7.162 1.00121.58 1SG 144 ATOM 144 N PRO 37 26.215 -21.372 -8.845 1.00 84.37 1SG 145 ATOM 145 CA PRO 37 26.565 -20.090 -9.411 1.00 84.37 1SG 146 ATOM 146 CD PRO 37 26.189 -22.429 -9.844 1.00 84.37 1SG 147 ATOM 147 CB PRO 37 27.148 -20.409 -10.782 1.00 84.37 1SG 148 ATOM 148 CG PRO 37 26.430 -21.711 -11.181 1.00 84.37 1SG 149 ATOM 149 C PRO 37 25.377 -19.185 -9.509 1.00 84.37 1SG 150 ATOM 150 O PRO 37 24.317 -19.637 -9.944 1.00 84.37 1SG 151 ATOM 151 N LEU 38 25.528 -17.912 -9.080 1.00161.92 1SG 152 ATOM 152 CA LEU 38 24.420 -16.995 -9.099 1.00161.92 1SG 153 ATOM 153 CB LEU 38 23.902 -16.642 -7.684 1.00161.92 1SG 154 ATOM 154 CG LEU 38 22.706 -15.666 -7.647 1.00161.92 1SG 155 ATOM 155 CD2 LEU 38 22.451 -15.149 -6.219 1.00161.92 1SG 156 ATOM 156 CD1 LEU 38 21.448 -16.283 -8.279 1.00161.92 1SG 157 ATOM 157 C LEU 38 24.862 -15.729 -9.763 1.00161.92 1SG 158 ATOM 158 O LEU 38 26.039 -15.362 -9.665 1.00161.92 1SG 159 ATOM 159 N GLY 39 23.885 -15.070 -10.457 1.00 50.33 1SG 160 ATOM 160 CA GLY 39 24.037 -13.833 -11.195 1.00 50.33 1SG 161 ATOM 161 C GLY 39 22.738 -13.048 -11.203 1.00 50.33 1SG 162 ATOM 162 O GLY 39 21.670 -13.576 -10.887 1.00 50.33 1SG 163 ATOM 163 N ILE 40 22.818 -11.742 -11.574 1.00112.65 1SG 164 ATOM 164 CA ILE 40 21.662 -10.873 -11.594 1.00112.65 1SG 165 ATOM 165 CB ILE 40 21.569 -10.112 -10.323 1.00112.65 1SG 166 ATOM 166 CG2 ILE 40 22.630 -9.003 -10.386 1.00112.65 1SG 167 ATOM 167 CG1 ILE 40 20.160 -9.600 -10.044 1.00112.65 1SG 168 ATOM 168 CD1 ILE 40 20.032 -9.247 -8.570 1.00112.65 1SG 169 ATOM 169 C ILE 40 21.782 -9.870 -12.727 1.00112.65 1SG 170 ATOM 170 O ILE 40 22.882 -9.599 -13.203 1.00112.65 1SG 171 ATOM 171 N VAL 41 20.639 -9.304 -13.196 1.00115.70 1SG 172 ATOM 172 CA VAL 41 20.685 -8.344 -14.280 1.00115.70 1SG 173 ATOM 173 CB VAL 41 20.695 -8.974 -15.629 1.00115.70 1SG 174 ATOM 174 CG1 VAL 41 22.041 -9.637 -15.863 1.00115.70 1SG 175 ATOM 175 CG2 VAL 41 19.527 -9.972 -15.710 1.00115.70 1SG 176 ATOM 176 C VAL 41 19.469 -7.460 -14.298 1.00115.70 1SG 177 ATOM 177 O VAL 41 18.464 -7.749 -13.659 1.00115.70 1SG 178 ATOM 178 N SER 42 19.574 -6.336 -15.058 1.00 82.07 1SG 179 ATOM 179 CA SER 42 18.468 -5.434 -15.315 1.00 82.07 1SG 180 ATOM 180 CB SER 42 18.280 -4.306 -14.288 1.00 82.07 1SG 181 ATOM 181 OG SER 42 17.177 -3.477 -14.642 1.00 82.07 1SG 182 ATOM 182 C SER 42 18.712 -4.780 -16.639 1.00 82.07 1SG 183 ATOM 183 O SER 42 19.831 -4.779 -17.145 1.00 82.07 1SG 184 ATOM 184 N GLY 43 17.649 -4.208 -17.254 1.00 28.21 1SG 185 ATOM 185 CA GLY 43 17.860 -3.589 -18.534 1.00 28.21 1SG 186 ATOM 186 C GLY 43 16.820 -2.541 -18.779 1.00 28.21 1SG 187 ATOM 187 O GLY 43 15.713 -2.605 -18.246 1.00 28.21 1SG 188 ATOM 188 N GLY 44 17.168 -1.544 -19.623 1.00 22.09 1SG 189 ATOM 189 CA GLY 44 16.251 -0.493 -19.956 1.00 22.09 1SG 190 ATOM 190 C GLY 44 16.211 -0.368 -21.447 1.00 22.09 1SG 191 ATOM 191 O GLY 44 17.231 -0.474 -22.126 1.00 22.09 1SG 192 ATOM 192 N ARG 45 15.006 -0.124 -21.994 1.00114.06 1SG 193 ATOM 193 CA ARG 45 14.866 -0.042 -23.418 1.00114.06 1SG 194 ATOM 194 CB ARG 45 13.625 -0.775 -23.961 1.00114.06 1SG 195 ATOM 195 CG ARG 45 13.251 -0.407 -25.401 1.00114.06 1SG 196 ATOM 196 CD ARG 45 12.023 -1.164 -25.913 1.00114.06 1SG 197 ATOM 197 NE ARG 45 11.485 -0.454 -27.109 1.00114.06 1SG 198 ATOM 198 CZ ARG 45 10.570 -1.083 -27.903 1.00114.06 1SG 199 ATOM 199 NH1 ARG 45 10.306 -2.404 -27.700 1.00114.06 1SG 200 ATOM 200 NH2 ARG 45 9.931 -0.405 -28.900 1.00114.06 1SG 201 ATOM 201 C ARG 45 14.696 1.386 -23.773 1.00114.06 1SG 202 ATOM 202 O ARG 45 13.795 2.059 -23.272 1.00114.06 1SG 203 ATOM 203 N LEU 46 15.585 1.903 -24.636 1.00134.95 1SG 204 ATOM 204 CA LEU 46 15.350 3.243 -25.048 1.00134.95 1SG 205 ATOM 205 CB LEU 46 16.527 3.902 -25.773 1.00134.95 1SG 206 ATOM 206 CG LEU 46 16.224 5.347 -26.202 1.00134.95 1SG 207 ATOM 207 CD2 LEU 46 17.347 5.931 -27.076 1.00134.95 1SG 208 ATOM 208 CD1 LEU 46 15.905 6.220 -24.980 1.00134.95 1SG 209 ATOM 209 C LEU 46 14.213 3.165 -25.996 1.00134.95 1SG 210 ATOM 210 O LEU 46 14.211 2.366 -26.932 1.00134.95 1SG 211 ATOM 211 N ILE 47 13.199 3.990 -25.737 1.00179.06 1SG 212 ATOM 212 CA ILE 47 12.008 4.048 -26.517 1.00179.06 1SG 213 ATOM 213 CB ILE 47 11.058 2.944 -26.089 1.00179.06 1SG 214 ATOM 214 CG2 ILE 47 10.902 3.076 -24.576 1.00179.06 1SG 215 ATOM 215 CG1 ILE 47 9.741 2.817 -26.888 1.00179.06 1SG 216 ATOM 216 CD1 ILE 47 8.586 3.716 -26.435 1.00179.06 1SG 217 ATOM 217 C ILE 47 11.562 5.438 -26.264 1.00179.06 1SG 218 ATOM 218 O ILE 47 12.320 6.198 -25.664 1.00179.06 1SG 219 ATOM 219 N GLY 48 10.378 5.843 -26.747 1.00 96.34 1SG 220 ATOM 220 CA GLY 48 9.960 7.181 -26.472 1.00 96.34 1SG 221 ATOM 221 C GLY 48 9.937 7.327 -24.982 1.00 96.34 1SG 222 ATOM 222 O GLY 48 10.397 8.331 -24.445 1.00 96.34 1SG 223 ATOM 223 N GLN 49 9.396 6.321 -24.266 1.00101.70 1SG 224 ATOM 224 CA GLN 49 9.474 6.353 -22.833 1.00101.70 1SG 225 ATOM 225 CB GLN 49 8.116 6.485 -22.133 1.00101.70 1SG 226 ATOM 226 CG GLN 49 8.236 6.526 -20.610 1.00101.70 1SG 227 ATOM 227 CD GLN 49 6.835 6.653 -20.037 1.00101.70 1SG 228 ATOM 228 OE1 GLN 49 6.650 6.634 -18.822 1.00101.70 1SG 229 ATOM 229 NE2 GLN 49 5.820 6.784 -20.933 1.00101.70 1SG 230 ATOM 230 C GLN 49 10.068 5.043 -22.427 1.00101.70 1SG 231 ATOM 231 O GLN 49 9.403 4.013 -22.498 1.00101.70 1SG 232 ATOM 232 N ALA 50 11.323 5.066 -21.941 1.00 40.07 1SG 233 ATOM 233 CA ALA 50 12.047 3.858 -21.660 1.00 40.07 1SG 234 ATOM 234 CB ALA 50 13.497 4.105 -21.207 1.00 40.07 1SG 235 ATOM 235 C ALA 50 11.369 3.074 -20.586 1.00 40.07 1SG 236 ATOM 236 O ALA 50 10.790 3.631 -19.655 1.00 40.07 1SG 237 ATOM 237 N ASP 51 11.417 1.732 -20.719 1.00 76.96 1SG 238 ATOM 238 CA ASP 51 10.826 0.859 -19.748 1.00 76.96 1SG 239 ATOM 239 CB ASP 51 9.841 -0.156 -20.356 1.00 76.96 1SG 240 ATOM 240 CG ASP 51 8.978 -0.728 -19.233 1.00 76.96 1SG 241 ATOM 241 OD1 ASP 51 9.228 -0.386 -18.049 1.00 76.96 1SG 242 ATOM 242 OD2 ASP 51 8.040 -1.504 -19.557 1.00 76.96 1SG 243 ATOM 243 C ASP 51 11.960 0.096 -19.139 1.00 76.96 1SG 244 ATOM 244 O ASP 51 12.985 -0.112 -19.789 1.00 76.96 1SG 245 ATOM 245 N LEU 52 11.828 -0.316 -17.861 1.00122.84 1SG 246 ATOM 246 CA LEU 52 12.886 -1.037 -17.215 1.00122.84 1SG 247 ATOM 247 CB LEU 52 13.324 -0.381 -15.896 1.00122.84 1SG 248 ATOM 248 CG LEU 52 14.450 -1.132 -15.169 1.00122.84 1SG 249 ATOM 249 CD2 LEU 52 14.626 -0.609 -13.739 1.00122.84 1SG 250 ATOM 250 CD1 LEU 52 15.758 -1.083 -15.965 1.00122.84 1SG 251 ATOM 251 C LEU 52 12.378 -2.403 -16.884 1.00122.84 1SG 252 ATOM 252 O LEU 52 11.181 -2.593 -16.639 1.00122.84 1SG 253 ATOM 253 N VAL 53 13.279 -3.406 -16.881 1.00 58.44 1SG 254 ATOM 254 CA VAL 53 12.923 -4.763 -16.576 1.00 58.44 1SG 255 ATOM 255 CB VAL 53 13.089 -5.690 -17.761 1.00 58.44 1SG 256 ATOM 256 CG1 VAL 53 12.686 -7.126 -17.362 1.00 58.44 1SG 257 ATOM 257 CG2 VAL 53 12.318 -5.121 -18.965 1.00 58.44 1SG 258 ATOM 258 C VAL 53 13.925 -5.192 -15.537 1.00 58.44 1SG 259 ATOM 259 O VAL 53 14.902 -4.478 -15.300 1.00 58.44 1SG 260 ATOM 260 N GLY 54 13.707 -6.336 -14.858 1.00104.98 1SG 261 ATOM 261 CA GLY 54 14.669 -6.797 -13.896 1.00104.98 1SG 262 ATOM 262 C GLY 54 14.597 -8.291 -13.883 1.00104.98 1SG 263 ATOM 263 O GLY 54 13.532 -8.868 -14.105 1.00104.98 1SG 264 ATOM 264 N VAL 55 15.744 -8.959 -13.622 1.00 58.35 1SG 265 ATOM 265 CA VAL 55 15.767 -10.399 -13.643 1.00 58.35 1SG 266 ATOM 266 CB VAL 55 15.939 -10.976 -15.028 1.00 58.35 1SG 267 ATOM 267 CG1 VAL 55 16.065 -12.510 -14.925 1.00 58.35 1SG 268 ATOM 268 CG2 VAL 55 14.755 -10.543 -15.900 1.00 58.35 1SG 269 ATOM 269 C VAL 55 16.911 -10.883 -12.800 1.00 58.35 1SG 270 ATOM 270 O VAL 55 17.924 -10.205 -12.639 1.00 58.35 1SG 271 ATOM 271 N GLU 56 16.746 -12.090 -12.224 1.00 84.96 1SG 272 ATOM 272 CA GLU 56 17.747 -12.726 -11.420 1.00 84.96 1SG 273 ATOM 273 CB GLU 56 17.577 -12.436 -9.911 1.00 84.96 1SG 274 ATOM 274 CG GLU 56 16.139 -12.583 -9.390 1.00 84.96 1SG 275 ATOM 275 CD GLU 56 15.744 -14.052 -9.344 1.00 84.96 1SG 276 ATOM 276 OE1 GLU 56 16.553 -14.869 -8.831 1.00 84.96 1SG 277 ATOM 277 OE2 GLU 56 14.629 -14.378 -9.830 1.00 84.96 1SG 278 ATOM 278 C GLU 56 17.589 -14.192 -11.631 1.00 84.96 1SG 279 ATOM 279 O GLU 56 16.523 -14.652 -12.033 1.00 84.96 1SG 280 ATOM 280 N GLY 57 18.656 -14.978 -11.397 1.00 37.69 1SG 281 ATOM 281 CA GLY 57 18.459 -16.387 -11.542 1.00 37.69 1SG 282 ATOM 282 C GLY 57 19.772 -17.082 -11.512 1.00 37.69 1SG 283 ATOM 283 O GLY 57 20.813 -16.558 -11.909 1.00 37.69 1SG 284 ATOM 284 N PRO 58 19.708 -18.280 -11.007 1.00108.71 1SG 285 ATOM 285 CA PRO 58 20.864 -19.116 -10.962 1.00108.71 1SG 286 ATOM 286 CD PRO 58 18.475 -19.048 -10.987 1.00108.71 1SG 287 ATOM 287 CB PRO 58 20.375 -20.452 -10.418 1.00108.71 1SG 288 ATOM 288 CG PRO 58 18.930 -20.520 -10.949 1.00108.71 1SG 289 ATOM 289 C PRO 58 21.292 -19.266 -12.377 1.00108.71 1SG 290 ATOM 290 O PRO 58 20.493 -19.744 -13.181 1.00108.71 1SG 291 ATOM 291 N PHE 59 22.534 -18.870 -12.701 1.00123.22 1SG 292 ATOM 292 CA PHE 59 23.043 -19.074 -14.020 1.00123.22 1SG 293 ATOM 293 CB PHE 59 22.068 -18.717 -15.167 1.00123.22 1SG 294 ATOM 294 CG PHE 59 22.560 -19.397 -16.403 1.00123.22 1SG 295 ATOM 295 CD1 PHE 59 22.396 -20.756 -16.550 1.00123.22 1SG 296 ATOM 296 CD2 PHE 59 23.159 -18.696 -17.423 1.00123.22 1SG 297 ATOM 297 CE1 PHE 59 22.838 -21.403 -17.680 1.00123.22 1SG 298 ATOM 298 CE2 PHE 59 23.605 -19.336 -18.555 1.00123.22 1SG 299 ATOM 299 CZ PHE 59 23.447 -20.694 -18.686 1.00123.22 1SG 300 ATOM 300 C PHE 59 24.235 -18.191 -14.128 1.00123.22 1SG 301 ATOM 301 O PHE 59 24.576 -17.465 -13.196 1.00123.22 1SG 302 ATOM 302 N SER 60 24.915 -18.257 -15.281 1.00 37.65 1SG 303 ATOM 303 CA SER 60 26.050 -17.434 -15.522 1.00 37.65 1SG 304 ATOM 304 CB SER 60 26.925 -17.911 -16.693 1.00 37.65 1SG 305 ATOM 305 OG SER 60 26.219 -17.772 -17.917 1.00 37.65 1SG 306 ATOM 306 C SER 60 25.549 -16.078 -15.877 1.00 37.65 1SG 307 ATOM 307 O SER 60 24.352 -15.849 -16.058 1.00 37.65 1SG 308 ATOM 308 N VAL 61 26.501 -15.142 -15.980 1.00 58.83 1SG 309 ATOM 309 CA VAL 61 26.244 -13.771 -16.266 1.00 58.83 1SG 310 ATOM 310 CB VAL 61 27.561 -13.049 -16.384 1.00 58.83 1SG 311 ATOM 311 CG1 VAL 61 27.370 -11.638 -16.946 1.00 58.83 1SG 312 ATOM 312 CG2 VAL 61 28.234 -13.068 -15.004 1.00 58.83 1SG 313 ATOM 313 C VAL 61 25.518 -13.668 -17.575 1.00 58.83 1SG 314 ATOM 314 O VAL 61 24.413 -13.133 -17.636 1.00 58.83 1SG 315 ATOM 315 N GLU 62 26.062 -14.286 -18.638 1.00 41.00 1SG 316 ATOM 316 CA GLU 62 25.558 -14.039 -19.959 1.00 41.00 1SG 317 ATOM 317 CB GLU 62 26.319 -14.804 -21.055 1.00 41.00 1SG 318 ATOM 318 CG GLU 62 27.745 -14.300 -21.279 1.00 41.00 1SG 319 ATOM 319 CD GLU 62 28.328 -15.096 -22.435 1.00 41.00 1SG 320 ATOM 320 OE1 GLU 62 27.598 -15.972 -22.972 1.00 41.00 1SG 321 ATOM 321 OE2 GLU 62 29.507 -14.841 -22.799 1.00 41.00 1SG 322 ATOM 322 C GLU 62 24.110 -14.380 -20.124 1.00 41.00 1SG 323 ATOM 323 O GLU 62 23.362 -13.573 -20.672 1.00 41.00 1SG 324 ATOM 324 N GLU 63 23.646 -15.551 -19.659 1.00 49.82 1SG 325 ATOM 325 CA GLU 63 22.278 -15.854 -19.971 1.00 49.82 1SG 326 ATOM 326 CB GLU 63 21.786 -17.258 -19.590 1.00 49.82 1SG 327 ATOM 327 CG GLU 63 20.319 -17.478 -19.978 1.00 49.82 1SG 328 ATOM 328 CD GLU 63 19.844 -18.816 -19.426 1.00 49.82 1SG 329 ATOM 329 OE1 GLU 63 20.576 -19.825 -19.614 1.00 49.82 1SG 330 ATOM 330 OE2 GLU 63 18.745 -18.847 -18.808 1.00 49.82 1SG 331 ATOM 331 C GLU 63 21.344 -14.899 -19.305 1.00 49.82 1SG 332 ATOM 332 O GLU 63 20.349 -14.505 -19.909 1.00 49.82 1SG 333 ATOM 333 N LEU 64 21.628 -14.485 -18.056 1.00127.95 1SG 334 ATOM 334 CA LEU 64 20.659 -13.682 -17.372 1.00127.95 1SG 335 ATOM 335 CB LEU 64 21.013 -13.365 -15.910 1.00127.95 1SG 336 ATOM 336 CG LEU 64 19.785 -12.859 -15.125 1.00127.95 1SG 337 ATOM 337 CD2 LEU 64 20.138 -12.436 -13.691 1.00127.95 1SG 338 ATOM 338 CD1 LEU 64 18.666 -13.918 -15.145 1.00127.95 1SG 339 ATOM 339 C LEU 64 20.472 -12.413 -18.143 1.00127.95 1SG 340 ATOM 340 O LEU 64 19.358 -11.903 -18.252 1.00127.95 1SG 341 ATOM 341 N LEU 65 21.569 -11.871 -18.704 1.00140.49 1SG 342 ATOM 342 CA LEU 65 21.483 -10.675 -19.493 1.00140.49 1SG 343 ATOM 343 CB LEU 65 22.858 -10.236 -20.018 1.00140.49 1SG 344 ATOM 344 CG LEU 65 22.794 -9.360 -21.290 1.00140.49 1SG 345 ATOM 345 CD2 LEU 65 24.205 -8.924 -21.719 1.00140.49 1SG 346 ATOM 346 CD1 LEU 65 21.827 -8.181 -21.167 1.00140.49 1SG 347 ATOM 347 C LEU 65 20.604 -10.871 -20.688 1.00140.49 1SG 348 ATOM 348 O LEU 65 19.686 -10.086 -20.924 1.00140.49 1SG 349 ATOM 349 N ALA 66 20.845 -11.937 -21.468 1.00 23.53 1SG 350 ATOM 350 CA ALA 66 20.085 -12.132 -22.669 1.00 23.53 1SG 351 ATOM 351 CB ALA 66 20.548 -13.354 -23.478 1.00 23.53 1SG 352 ATOM 352 C ALA 66 18.658 -12.367 -22.313 1.00 23.53 1SG 353 ATOM 353 O ALA 66 17.746 -11.854 -22.959 1.00 23.53 1SG 354 ATOM 354 N HIS 67 18.438 -13.153 -21.250 1.00115.05 1SG 355 ATOM 355 CA HIS 67 17.127 -13.574 -20.866 1.00115.05 1SG 356 ATOM 356 ND1 HIS 67 15.331 -16.225 -19.576 1.00115.05 1SG 357 ATOM 357 CG HIS 67 15.892 -15.041 -19.146 1.00115.05 1SG 358 ATOM 358 CB HIS 67 17.200 -14.493 -19.635 1.00115.05 1SG 359 ATOM 359 NE2 HIS 67 13.969 -15.403 -18.020 1.00115.05 1SG 360 ATOM 360 CD2 HIS 67 15.046 -14.552 -18.201 1.00115.05 1SG 361 ATOM 361 CE1 HIS 67 14.186 -16.393 -18.869 1.00115.05 1SG 362 ATOM 362 C HIS 67 16.257 -12.400 -20.543 1.00115.05 1SG 363 ATOM 363 O HIS 67 15.155 -12.287 -21.074 1.00115.05 1SG 364 ATOM 364 N GLN 68 16.729 -11.477 -19.685 1.00111.47 1SG 365 ATOM 365 CA GLN 68 15.909 -10.375 -19.259 1.00111.47 1SG 366 ATOM 366 CB GLN 68 16.482 -9.560 -18.105 1.00111.47 1SG 367 ATOM 367 CG GLN 68 15.575 -8.387 -17.733 1.00111.47 1SG 368 ATOM 368 CD GLN 68 16.300 -7.643 -16.638 1.00111.47 1SG 369 ATOM 369 OE1 GLN 68 16.180 -6.431 -16.472 1.00111.47 1SG 370 ATOM 370 NE2 GLN 68 17.148 -8.407 -15.904 1.00111.47 1SG 371 ATOM 371 C GLN 68 15.639 -9.432 -20.382 1.00111.47 1SG 372 ATOM 372 O GLN 68 14.562 -8.837 -20.436 1.00111.47 1SG 373 ATOM 373 N GLU 69 16.609 -9.240 -21.294 1.00 30.49 1SG 374 ATOM 374 CA GLU 69 16.364 -8.316 -22.359 1.00 30.49 1SG 375 ATOM 375 CB GLU 69 17.525 -8.226 -23.360 1.00 30.49 1SG 376 ATOM 376 CG GLU 69 18.787 -7.576 -22.790 1.00 30.49 1SG 377 ATOM 377 CD GLU 69 19.806 -7.494 -23.918 1.00 30.49 1SG 378 ATOM 378 OE1 GLU 69 19.484 -7.964 -25.042 1.00 30.49 1SG 379 ATOM 379 OE2 GLU 69 20.918 -6.955 -23.671 1.00 30.49 1SG 380 ATOM 380 C GLU 69 15.172 -8.820 -23.102 1.00 30.49 1SG 381 ATOM 381 O GLU 69 14.236 -8.069 -23.384 1.00 30.49 1SG 382 ATOM 382 N LYS 70 15.168 -10.127 -23.411 1.00 89.60 1SG 383 ATOM 383 CA LYS 70 14.052 -10.701 -24.097 1.00 89.60 1SG 384 ATOM 384 CB LYS 70 14.273 -12.162 -24.519 1.00 89.60 1SG 385 ATOM 385 CG LYS 70 13.196 -12.638 -25.492 1.00 89.60 1SG 386 ATOM 386 CD LYS 70 13.216 -11.848 -26.802 1.00 89.60 1SG 387 ATOM 387 CE LYS 70 12.090 -12.216 -27.768 1.00 89.60 1SG 388 ATOM 388 NZ LYS 70 12.152 -11.351 -28.969 1.00 89.60 1SG 389 ATOM 389 C LYS 70 12.878 -10.650 -23.179 1.00 89.60 1SG 390 ATOM 390 O LYS 70 11.748 -10.438 -23.616 1.00 89.60 1SG 391 ATOM 391 N HIS 71 13.128 -10.849 -21.868 1.00228.46 1SG 392 ATOM 392 CA HIS 71 12.066 -10.805 -20.909 1.00228.46 1SG 393 ATOM 393 ND1 HIS 71 12.290 -13.748 -20.054 1.00228.46 1SG 394 ATOM 394 CG HIS 71 11.927 -12.672 -19.278 1.00228.46 1SG 395 ATOM 395 CB HIS 71 12.424 -11.273 -19.487 1.00228.46 1SG 396 ATOM 396 NE2 HIS 71 10.815 -14.504 -18.570 1.00228.46 1SG 397 ATOM 397 CD2 HIS 71 11.026 -13.151 -18.374 1.00228.46 1SG 398 ATOM 398 CE1 HIS 71 11.595 -14.817 -19.589 1.00228.46 1SG 399 ATOM 399 C HIS 71 11.532 -9.437 -20.882 1.00228.46 1SG 400 ATOM 400 O HIS 71 12.025 -8.556 -21.582 1.00228.46 1SG 401 ATOM 401 N LEU 72 10.463 -9.195 -20.102 1.00357.03 1SG 402 ATOM 402 CA LEU 72 10.038 -7.887 -20.418 1.00357.03 1SG 403 ATOM 403 CB LEU 72 9.084 -7.737 -21.569 1.00357.03 1SG 404 ATOM 404 CG LEU 72 9.895 -7.088 -22.671 1.00357.03 1SG 405 ATOM 405 CD2 LEU 72 9.189 -5.803 -23.041 1.00357.03 1SG 406 ATOM 406 CD1 LEU 72 10.408 -8.050 -23.752 1.00357.03 1SG 407 ATOM 407 C LEU 72 9.576 -6.916 -19.424 1.00357.03 1SG 408 ATOM 408 O LEU 72 9.437 -7.125 -18.222 1.00357.03 1SG 409 ATOM 409 N ALA 73 9.411 -5.756 -20.092 1.00232.99 1SG 410 ATOM 410 CA ALA 73 8.994 -4.433 -19.801 1.00232.99 1SG 411 ATOM 411 CB ALA 73 9.690 -3.835 -18.574 1.00232.99 1SG 412 ATOM 412 C ALA 73 9.514 -3.718 -21.012 1.00232.99 1SG 413 ATOM 413 O ALA 73 8.853 -2.877 -21.623 1.00232.99 1SG 414 ATOM 414 N GLU 74 10.766 -4.092 -21.361 1.00192.13 1SG 415 ATOM 415 CA GLU 74 11.594 -3.544 -22.399 1.00192.13 1SG 416 ATOM 416 CB GLU 74 12.945 -4.262 -22.337 1.00192.13 1SG 417 ATOM 417 CG GLU 74 14.126 -3.441 -22.813 1.00192.13 1SG 418 ATOM 418 CD GLU 74 14.734 -2.890 -21.544 1.00192.13 1SG 419 ATOM 419 OE1 GLU 74 13.998 -2.223 -20.762 1.00192.13 1SG 420 ATOM 420 OE2 GLU 74 15.959 -3.114 -21.321 1.00192.13 1SG 421 ATOM 421 C GLU 74 11.109 -3.709 -23.836 1.00192.13 1SG 422 ATOM 422 O GLU 74 10.465 -2.821 -24.386 1.00192.13 1SG 423 ATOM 423 N GLU 75 11.398 -4.876 -24.476 1.00109.12 1SG 424 ATOM 424 CA GLU 75 11.131 -5.090 -25.884 1.00109.12 1SG 425 ATOM 425 CB GLU 75 12.003 -6.217 -26.468 1.00109.12 1SG 426 ATOM 426 CG GLU 75 11.925 -6.300 -27.994 1.00109.12 1SG 427 ATOM 427 CD GLU 75 12.838 -7.419 -28.473 1.00109.12 1SG 428 ATOM 428 OE1 GLU 75 13.502 -8.056 -27.613 1.00109.12 1SG 429 ATOM 429 OE2 GLU 75 12.879 -7.645 -29.714 1.00109.12 1SG 430 ATOM 430 C GLU 75 9.707 -5.402 -26.285 1.00109.12 1SG 431 ATOM 431 O GLU 75 9.096 -4.681 -27.071 1.00109.12 1SG 432 ATOM 432 N ALA 76 9.145 -6.501 -25.745 1.00 41.87 1SG 433 ATOM 433 CA ALA 76 7.852 -7.044 -26.084 1.00 41.87 1SG 434 ATOM 434 CB ALA 76 7.600 -8.389 -25.393 1.00 41.87 1SG 435 ATOM 435 C ALA 76 6.727 -6.140 -25.684 1.00 41.87 1SG 436 ATOM 436 O ALA 76 5.774 -5.928 -26.432 1.00 41.87 1SG 437 ATOM 437 N PHE 77 6.828 -5.583 -24.471 1.00100.01 1SG 438 ATOM 438 CA PHE 77 5.879 -4.731 -23.826 1.00100.01 1SG 439 ATOM 439 CB PHE 77 6.455 -4.254 -22.478 1.00100.01 1SG 440 ATOM 440 CG PHE 77 5.502 -3.357 -21.776 1.00100.01 1SG 441 ATOM 441 CD1 PHE 77 4.371 -3.849 -21.162 1.00100.01 1SG 442 ATOM 442 CD2 PHE 77 5.758 -2.008 -21.713 1.00100.01 1SG 443 ATOM 443 CE1 PHE 77 3.505 -3.002 -20.507 1.00100.01 1SG 444 ATOM 444 CE2 PHE 77 4.898 -1.158 -21.059 1.00100.01 1SG 445 ATOM 445 CZ PHE 77 3.766 -1.654 -20.457 1.00100.01 1SG 446 ATOM 446 C PHE 77 5.682 -3.565 -24.727 1.00100.01 1SG 447 ATOM 447 O PHE 77 4.555 -3.206 -25.065 1.00100.01 1SG 448 ATOM 448 N LEU 78 6.795 -2.970 -25.180 1.00 84.42 1SG 449 ATOM 449 CA LEU 78 6.702 -1.871 -26.082 1.00 84.42 1SG 450 ATOM 450 CB LEU 78 8.051 -1.209 -26.385 1.00 84.42 1SG 451 ATOM 451 CG LEU 78 8.534 -0.305 -25.234 1.00 84.42 1SG 452 ATOM 452 CD2 LEU 78 8.444 -1.041 -23.890 1.00 84.42 1SG 453 ATOM 453 CD1 LEU 78 7.754 1.020 -25.189 1.00 84.42 1SG 454 ATOM 454 C LEU 78 6.080 -2.376 -27.339 1.00 84.42 1SG 455 ATOM 455 O LEU 78 5.377 -1.630 -28.013 1.00 84.42 1SG 456 ATOM 456 N ARG 79 6.322 -3.653 -27.693 1.00 55.06 1SG 457 ATOM 457 CA ARG 79 5.752 -4.192 -28.896 1.00 55.06 1SG 458 ATOM 458 CB ARG 79 6.114 -5.664 -29.144 1.00 55.06 1SG 459 ATOM 459 CG ARG 79 7.548 -5.884 -29.617 1.00 55.06 1SG 460 ATOM 460 CD ARG 79 7.840 -7.351 -29.924 1.00 55.06 1SG 461 ATOM 461 NE ARG 79 9.218 -7.444 -30.478 1.00 55.06 1SG 462 ATOM 462 CZ ARG 79 9.760 -8.677 -30.691 1.00 55.06 1SG 463 ATOM 463 NH1 ARG 79 9.046 -9.791 -30.356 1.00 55.06 1SG 464 ATOM 464 NH2 ARG 79 11.008 -8.802 -31.230 1.00 55.06 1SG 465 ATOM 465 C ARG 79 4.259 -4.125 -28.803 1.00 55.06 1SG 466 ATOM 466 O ARG 79 3.595 -3.749 -29.768 1.00 55.06 1SG 467 ATOM 467 N ALA 80 3.685 -4.467 -27.634 1.00 18.41 1SG 468 ATOM 468 CA ALA 80 2.256 -4.454 -27.503 1.00 18.41 1SG 469 ATOM 469 CB ALA 80 1.783 -4.851 -26.096 1.00 18.41 1SG 470 ATOM 470 C ALA 80 1.796 -3.055 -27.757 1.00 18.41 1SG 471 ATOM 471 O ALA 80 0.788 -2.829 -28.422 1.00 18.41 1SG 472 ATOM 472 N TYR 81 2.553 -2.082 -27.227 1.00 84.74 1SG 473 ATOM 473 CA TYR 81 2.302 -0.682 -27.383 1.00 84.74 1SG 474 ATOM 474 CB TYR 81 3.244 0.183 -26.529 1.00 84.74 1SG 475 ATOM 475 CG TYR 81 2.771 0.061 -25.117 1.00 84.74 1SG 476 ATOM 476 CD1 TYR 81 2.880 -1.128 -24.435 1.00 84.74 1SG 477 ATOM 477 CD2 TYR 81 2.226 1.148 -24.468 1.00 84.74 1SG 478 ATOM 478 CE1 TYR 81 2.446 -1.237 -23.135 1.00 84.74 1SG 479 ATOM 479 CE2 TYR 81 1.790 1.048 -23.167 1.00 84.74 1SG 480 ATOM 480 CZ TYR 81 1.899 -0.149 -22.500 1.00 84.74 1SG 481 ATOM 481 OH TYR 81 1.452 -0.265 -21.166 1.00 84.74 1SG 482 ATOM 482 C TYR 81 2.462 -0.339 -28.829 1.00 84.74 1SG 483 ATOM 483 O TYR 81 1.795 0.558 -29.341 1.00 84.74 1SG 484 ATOM 484 N ALA 82 3.340 -1.075 -29.534 1.00219.56 1SG 485 ATOM 485 CA ALA 82 3.660 -0.795 -30.901 1.00219.56 1SG 486 ATOM 486 CB ALA 82 2.415 -0.606 -31.785 1.00219.56 1SG 487 ATOM 487 C ALA 82 4.457 0.465 -30.945 1.00219.56 1SG 488 ATOM 488 O ALA 82 4.402 1.216 -31.917 1.00219.56 1SG 489 ATOM 489 N LYS 83 5.230 0.720 -29.871 1.00 80.66 1SG 490 ATOM 490 CA LYS 83 6.092 1.864 -29.822 1.00 80.66 1SG 491 ATOM 491 CB LYS 83 6.409 2.338 -28.392 1.00 80.66 1SG 492 ATOM 492 CG LYS 83 5.196 2.868 -27.624 1.00 80.66 1SG 493 ATOM 493 CD LYS 83 5.452 3.041 -26.124 1.00 80.66 1SG 494 ATOM 494 CE LYS 83 4.237 3.565 -25.354 1.00 80.66 1SG 495 ATOM 495 NZ LYS 83 4.560 3.702 -23.916 1.00 80.66 1SG 496 ATOM 496 C LYS 83 7.392 1.451 -30.438 1.00 80.66 1SG 497 ATOM 497 O LYS 83 7.793 0.292 -30.357 1.00 80.66 1SG 498 ATOM 498 N ASP 84 8.081 2.403 -31.096 1.00153.54 1SG 499 ATOM 499 CA ASP 84 9.331 2.072 -31.714 1.00153.54 1SG 500 ATOM 500 CB ASP 84 9.793 3.110 -32.752 1.00153.54 1SG 501 ATOM 501 CG ASP 84 8.839 3.034 -33.940 1.00153.54 1SG 502 ATOM 502 OD1 ASP 84 8.018 2.079 -33.976 1.00153.54 1SG 503 ATOM 503 OD2 ASP 84 8.913 3.930 -34.822 1.00153.54 1SG 504 ATOM 504 C ASP 84 10.367 1.962 -30.638 1.00153.54 1SG 505 ATOM 505 O ASP 84 10.275 2.616 -29.600 1.00153.54 1SG 506 ATOM 506 N GLU 85 11.385 1.105 -30.867 1.00107.10 1SG 507 ATOM 507 CA GLU 85 12.423 0.900 -29.894 1.00107.10 1SG 508 ATOM 508 CB GLU 85 12.809 -0.578 -29.724 1.00107.10 1SG 509 ATOM 509 CG GLU 85 13.907 -0.809 -28.685 1.00107.10 1SG 510 ATOM 510 CD GLU 85 14.178 -2.305 -28.620 1.00107.10 1SG 511 ATOM 511 OE1 GLU 85 13.506 -3.058 -29.375 1.00107.10 1SG 512 ATOM 512 OE2 GLU 85 15.057 -2.715 -27.816 1.00107.10 1SG 513 ATOM 513 C GLU 85 13.668 1.563 -30.384 1.00107.10 1SG 514 ATOM 514 O GLU 85 14.285 1.097 -31.338 1.00107.10 1SG 515 ATOM 515 N PRO 86 14.045 2.654 -29.782 1.00 97.26 1SG 516 ATOM 516 CA PRO 86 15.271 3.290 -30.172 1.00 97.26 1SG 517 ATOM 517 CD PRO 86 13.074 3.626 -29.321 1.00 97.26 1SG 518 ATOM 518 CB PRO 86 15.208 4.723 -29.634 1.00 97.26 1SG 519 ATOM 519 CG PRO 86 13.947 4.755 -28.750 1.00 97.26 1SG 520 ATOM 520 C PRO 86 16.536 2.549 -29.852 1.00 97.26 1SG 521 ATOM 521 O PRO 86 17.418 2.514 -30.708 1.00 97.26 1SG 522 ATOM 522 N LEU 87 16.669 1.948 -28.650 1.00151.68 1SG 523 ATOM 523 CA LEU 87 17.907 1.273 -28.368 1.00151.68 1SG 524 ATOM 524 CB LEU 87 19.127 2.219 -28.258 1.00151.68 1SG 525 ATOM 525 CG LEU 87 19.045 3.265 -27.130 1.00151.68 1SG 526 ATOM 526 CD2 LEU 87 19.979 4.460 -27.382 1.00151.68 1SG 527 ATOM 527 CD1 LEU 87 19.202 2.632 -25.734 1.00151.68 1SG 528 ATOM 528 C LEU 87 17.754 0.470 -27.110 1.00151.68 1SG 529 ATOM 529 O LEU 87 16.668 0.394 -26.538 1.00151.68 1SG 530 ATOM 530 N TYR 88 18.849 -0.184 -26.662 1.00 96.26 1SG 531 ATOM 531 CA TYR 88 18.769 -1.034 -25.507 1.00 96.26 1SG 532 ATOM 532 CB TYR 88 19.004 -2.508 -25.872 1.00 96.26 1SG 533 ATOM 533 CG TYR 88 18.489 -3.344 -24.760 1.00 96.26 1SG 534 ATOM 534 CD1 TYR 88 19.280 -3.693 -23.689 1.00 96.26 1SG 535 ATOM 535 CD2 TYR 88 17.183 -3.770 -24.801 1.00 96.26 1SG 536 ATOM 536 CE1 TYR 88 18.772 -4.467 -22.672 1.00 96.26 1SG 537 ATOM 537 CE2 TYR 88 16.672 -4.540 -23.791 1.00 96.26 1SG 538 ATOM 538 CZ TYR 88 17.465 -4.888 -22.729 1.00 96.26 1SG 539 ATOM 539 OH TYR 88 16.913 -5.675 -21.699 1.00 96.26 1SG 540 ATOM 540 C TYR 88 19.886 -0.636 -24.583 1.00 96.26 1SG 541 ATOM 541 O TYR 88 20.923 -0.140 -25.019 1.00 96.26 1SG 542 ATOM 542 N ALA 89 19.685 -0.825 -23.263 1.00 28.38 1SG 543 ATOM 543 CA ALA 89 20.709 -0.507 -22.304 1.00 28.38 1SG 544 ATOM 544 CB ALA 89 20.397 0.737 -21.458 1.00 28.38 1SG 545 ATOM 545 C ALA 89 20.769 -1.659 -21.358 1.00 28.38 1SG 546 ATOM 546 O ALA 89 19.756 -2.319 -21.130 1.00 28.38 1SG 547 ATOM 547 N TRP 90 21.952 -1.963 -20.783 1.00123.39 1SG 548 ATOM 548 CA TRP 90 21.935 -3.100 -19.911 1.00123.39 1SG 549 ATOM 549 CB TRP 90 22.067 -4.408 -20.681 1.00123.39 1SG 550 ATOM 550 CG TRP 90 21.915 -5.586 -19.769 1.00123.39 1SG 551 ATOM 551 CD2 TRP 90 20.623 -6.097 -19.465 1.00123.39 1SG 552 ATOM 552 CD1 TRP 90 22.819 -6.342 -19.087 1.00123.39 1SG 553 ATOM 553 NE1 TRP 90 22.155 -7.318 -18.376 1.00123.39 1SG 554 ATOM 554 CE2 TRP 90 20.800 -7.174 -18.608 1.00123.39 1SG 555 ATOM 555 CE3 TRP 90 19.391 -5.708 -19.894 1.00123.39 1SG 556 ATOM 556 CZ2 TRP 90 19.732 -7.890 -18.165 1.00123.39 1SG 557 ATOM 557 CZ3 TRP 90 18.317 -6.415 -19.424 1.00123.39 1SG 558 ATOM 558 CH2 TRP 90 18.492 -7.481 -18.579 1.00123.39 1SG 559 ATOM 559 C TRP 90 23.117 -3.088 -18.989 1.00123.39 1SG 560 ATOM 560 O TRP 90 24.120 -2.433 -19.263 1.00123.39 1SG 561 ATOM 561 N VAL 91 22.997 -3.810 -17.856 1.00 50.54 1SG 562 ATOM 562 CA VAL 91 24.103 -4.040 -16.968 1.00 50.54 1SG 563 ATOM 563 CB VAL 91 24.298 -2.984 -15.932 1.00 50.54 1SG 564 ATOM 564 CG1 VAL 91 25.524 -3.381 -15.088 1.00 50.54 1SG 565 ATOM 565 CG2 VAL 91 24.439 -1.625 -16.639 1.00 50.54 1SG 566 ATOM 566 C VAL 91 23.851 -5.354 -16.300 1.00 50.54 1SG 567 ATOM 567 O VAL 91 22.702 -5.785 -16.179 1.00 50.54 1SG 568 ATOM 568 N LEU 92 24.924 -6.046 -15.858 1.00178.90 1SG 569 ATOM 569 CA LEU 92 24.798 -7.384 -15.348 1.00178.90 1SG 570 ATOM 570 CB LEU 92 24.643 -8.338 -16.537 1.00178.90 1SG 571 ATOM 571 CG LEU 92 25.168 -9.768 -16.416 1.00178.90 1SG 572 ATOM 572 CD2 LEU 92 24.807 -10.445 -17.743 1.00178.90 1SG 573 ATOM 573 CD1 LEU 92 24.722 -10.544 -15.162 1.00178.90 1SG 574 ATOM 574 C LEU 92 25.984 -7.745 -14.499 1.00178.90 1SG 575 ATOM 575 O LEU 92 27.103 -7.314 -14.762 1.00178.90 1SG 576 ATOM 576 N GLU 93 25.744 -8.554 -13.437 1.00 89.62 1SG 577 ATOM 577 CA GLU 93 26.770 -8.968 -12.517 1.00 89.62 1SG 578 ATOM 578 CB GLU 93 26.831 -8.089 -11.257 1.00 89.62 1SG 579 ATOM 579 CG GLU 93 27.871 -8.532 -10.225 1.00 89.62 1SG 580 ATOM 580 CD GLU 93 27.664 -7.672 -8.985 1.00 89.62 1SG 581 ATOM 581 OE1 GLU 93 26.688 -6.875 -8.986 1.00 89.62 1SG 582 ATOM 582 OE2 GLU 93 28.467 -7.803 -8.023 1.00 89.62 1SG 583 ATOM 583 C GLU 93 26.461 -10.349 -12.026 1.00 89.62 1SG 584 ATOM 584 O GLU 93 25.323 -10.806 -12.105 1.00 89.62 1SG 585 ATOM 585 N ASN 94 27.489 -11.065 -11.523 1.00142.33 1SG 586 ATOM 586 CA ASN 94 27.280 -12.376 -10.971 1.00142.33 1SG 587 ATOM 587 CB ASN 94 27.693 -13.527 -11.914 1.00142.33 1SG 588 ATOM 588 CG ASN 94 29.188 -13.504 -12.197 1.00142.33 1SG 589 ATOM 589 OD1 ASN 94 29.756 -14.540 -12.540 1.00142.33 1SG 590 ATOM 590 ND2 ASN 94 29.852 -12.327 -12.055 1.00142.33 1SG 591 ATOM 591 C ASN 94 28.053 -12.435 -9.685 1.00142.33 1SG 592 ATOM 592 O ASN 94 29.101 -11.805 -9.550 1.00142.33 1SG 593 ATOM 593 N ALA 95 27.536 -13.169 -8.679 1.00248.41 1SG 594 ATOM 594 CA ALA 95 28.210 -13.202 -7.406 1.00248.41 1SG 595 ATOM 595 CB ALA 95 27.393 -12.677 -6.214 1.00248.41 1SG 596 ATOM 596 C ALA 95 28.582 -14.608 -7.101 1.00248.41 1SG 597 ATOM 597 O ALA 95 27.951 -15.553 -7.589 1.00248.41 1SG 598 ATOM 598 N PHE 96 29.632 -14.780 -6.278 1.00391.89 1SG 599 ATOM 599 CA PHE 96 30.093 -16.122 -6.149 1.00391.89 1SG 600 ATOM 600 CB PHE 96 30.944 -16.325 -7.421 1.00391.89 1SG 601 ATOM 601 CG PHE 96 30.817 -17.686 -8.030 1.00391.89 1SG 602 ATOM 602 CD1 PHE 96 29.659 -18.423 -7.953 1.00391.89 1SG 603 ATOM 603 CD2 PHE 96 31.842 -18.210 -8.783 1.00391.89 1SG 604 ATOM 604 CE1 PHE 96 29.558 -19.658 -8.560 1.00391.89 1SG 605 ATOM 605 CE2 PHE 96 31.742 -19.438 -9.388 1.00391.89 1SG 606 ATOM 606 CZ PHE 96 30.598 -20.187 -9.287 1.00391.89 1SG 607 ATOM 607 C PHE 96 30.866 -16.164 -4.843 1.00391.89 1SG 608 ATOM 608 O PHE 96 31.561 -15.212 -4.531 1.00391.89 1SG 609 ATOM 609 N ARG 97 30.660 -17.240 -4.021 1.00418.14 1SG 610 ATOM 610 CA ARG 97 31.338 -17.498 -2.762 1.00418.14 1SG 611 ATOM 611 CB ARG 97 30.735 -16.694 -1.630 1.00418.14 1SG 612 ATOM 612 CG ARG 97 31.092 -15.214 -1.701 1.00418.14 1SG 613 ATOM 613 CD ARG 97 30.032 -14.344 -1.043 1.00418.14 1SG 614 ATOM 614 NE ARG 97 29.539 -15.088 0.154 1.00418.14 1SG 615 ATOM 615 CZ ARG 97 30.097 -14.816 1.370 1.00418.14 1SG 616 ATOM 616 NH1 ARG 97 31.055 -13.850 1.440 1.00418.14 1SG 617 ATOM 617 NH2 ARG 97 29.706 -15.486 2.490 1.00418.14 1SG 618 ATOM 618 C ARG 97 31.115 -18.948 -2.359 1.00418.14 1SG 619 ATOM 619 O ARG 97 30.076 -19.528 -2.610 1.00418.14 1SG 620 ATOM 620 N TYR 98 32.036 -19.628 -1.655 1.00344.26 1SG 621 ATOM 621 CA TYR 98 31.738 -21.013 -1.361 1.00344.26 1SG 622 ATOM 622 CB TYR 98 32.532 -22.024 -2.224 1.00344.26 1SG 623 ATOM 623 CG TYR 98 32.129 -23.450 -1.961 1.00344.26 1SG 624 ATOM 624 CD1 TYR 98 30.860 -23.938 -2.184 1.00344.26 1SG 625 ATOM 625 CD2 TYR 98 33.070 -24.354 -1.552 1.00344.26 1SG 626 ATOM 626 CE1 TYR 98 30.577 -25.270 -1.959 1.00344.26 1SG 627 ATOM 627 CE2 TYR 98 32.816 -25.682 -1.319 1.00344.26 1SG 628 ATOM 628 CZ TYR 98 31.545 -26.143 -1.528 1.00344.26 1SG 629 ATOM 629 OH TYR 98 31.216 -27.498 -1.313 1.00344.26 1SG 630 ATOM 630 C TYR 98 31.973 -21.233 0.102 1.00344.26 1SG 631 ATOM 631 O TYR 98 32.866 -20.637 0.695 1.00344.26 1SG 632 ATOM 632 N GLU 99 31.152 -22.074 0.744 1.00186.01 1SG 633 ATOM 633 CA GLU 99 31.337 -22.169 2.159 1.00186.01 1SG 634 ATOM 634 CB GLU 99 30.196 -22.906 2.876 1.00186.01 1SG 635 ATOM 635 CG GLU 99 30.449 -22.853 4.388 1.00186.01 1SG 636 ATOM 636 CD GLU 99 30.870 -21.417 4.787 1.00186.01 1SG 637 ATOM 637 OE1 GLU 99 30.347 -20.434 4.191 1.00186.01 1SG 638 ATOM 638 OE2 GLU 99 31.695 -21.286 5.735 1.00186.01 1SG 639 ATOM 639 C GLU 99 32.645 -22.825 2.468 1.00186.01 1SG 640 ATOM 640 O GLU 99 33.316 -22.441 3.438 1.00186.01 1SG 641 ATOM 641 N LYS 100 33.003 -23.863 1.698 1.00198.38 1SG 642 ATOM 642 CA LYS 100 34.282 -24.506 1.825 1.00198.38 1SG 643 ATOM 643 CB LYS 100 34.156 -25.983 1.411 1.00198.38 1SG 644 ATOM 644 CG LYS 100 35.194 -26.935 2.028 1.00198.38 1SG 645 ATOM 645 CD LYS 100 34.757 -28.419 2.031 1.00198.38 1SG 646 ATOM 646 CE LYS 100 35.838 -29.450 2.388 1.00198.38 1SG 647 ATOM 647 NZ LYS 100 35.222 -30.782 2.609 1.00198.38 1SG 648 ATOM 648 C LYS 100 35.025 -23.759 0.749 1.00198.38 1SG 649 ATOM 649 O LYS 100 35.452 -24.290 -0.279 1.00198.38 1SG 650 ATOM 650 N PRO 101 35.324 -22.536 1.107 1.00227.14 1SG 651 ATOM 651 CA PRO 101 35.547 -21.436 0.203 1.00227.14 1SG 652 ATOM 652 CD PRO 101 35.932 -22.270 2.403 1.00227.14 1SG 653 ATOM 653 CB PRO 101 36.218 -20.325 1.013 1.00227.14 1SG 654 ATOM 654 CG PRO 101 36.032 -20.732 2.489 1.00227.14 1SG 655 ATOM 655 C PRO 101 36.115 -21.539 -1.173 1.00227.14 1SG 656 ATOM 656 O PRO 101 37.285 -21.887 -1.379 1.00227.14 1SG 657 ATOM 657 N LEU 102 35.192 -21.166 -2.099 1.00236.96 1SG 658 ATOM 658 CA LEU 102 35.225 -20.919 -3.516 1.00236.96 1SG 659 ATOM 659 CB LEU 102 34.985 -22.105 -4.450 1.00236.96 1SG 660 ATOM 660 CG LEU 102 36.213 -23.015 -4.579 1.00236.96 1SG 661 ATOM 661 CD2 LEU 102 36.090 -23.921 -5.818 1.00236.96 1SG 662 ATOM 662 CD1 LEU 102 36.476 -23.752 -3.257 1.00236.96 1SG 663 ATOM 663 C LEU 102 34.173 -19.874 -3.797 1.00236.96 1SG 664 ATOM 664 O LEU 102 34.083 -18.907 -3.045 1.00236.96 1SG 665 ATOM 665 N HIS 103 33.412 -19.977 -4.922 1.00241.36 1SG 666 ATOM 666 CA HIS 103 32.409 -19.009 -5.252 1.00241.36 1SG 667 ATOM 667 ND1 HIS 103 35.495 -17.783 -5.254 1.00241.36 1SG 668 ATOM 668 CG HIS 103 34.187 -17.324 -5.362 1.00241.36 1SG 669 ATOM 669 CB HIS 103 33.064 -17.947 -6.151 1.00241.36 1SG 670 ATOM 670 NE2 HIS 103 35.299 -16.046 -3.877 1.00241.36 1SG 671 ATOM 671 CD2 HIS 103 34.101 -16.278 -4.522 1.00241.36 1SG 672 ATOM 672 CE1 HIS 103 36.109 -16.977 -4.351 1.00241.36 1SG 673 ATOM 673 C HIS 103 31.264 -19.756 -5.845 1.00241.36 1SG 674 ATOM 674 O HIS 103 31.439 -20.540 -6.765 1.00241.36 1SG 675 ATOM 675 N VAL 104 30.069 -19.566 -5.252 1.00154.40 1SG 676 ATOM 676 CA VAL 104 28.761 -20.126 -5.519 1.00154.40 1SG 677 ATOM 677 CB VAL 104 28.651 -21.623 -5.344 1.00154.40 1SG 678 ATOM 678 CG1 VAL 104 29.422 -22.349 -6.458 1.00154.40 1SG 679 ATOM 679 CG2 VAL 104 29.187 -21.948 -3.938 1.00154.40 1SG 680 ATOM 680 C VAL 104 27.997 -19.552 -4.383 1.00154.40 1SG 681 ATOM 681 O VAL 104 28.320 -18.433 -3.990 1.00154.40 1SG 682 ATOM 682 N PRO 105 26.979 -20.103 -3.818 1.00141.68 1SG 683 ATOM 683 CA PRO 105 26.614 -19.465 -2.601 1.00141.68 1SG 684 ATOM 684 CD PRO 105 25.832 -20.656 -4.499 1.00141.68 1SG 685 ATOM 685 CB PRO 105 25.120 -19.705 -2.405 1.00141.68 1SG 686 ATOM 686 CG PRO 105 24.775 -20.815 -3.404 1.00141.68 1SG 687 ATOM 687 C PRO 105 27.489 -20.137 -1.604 1.00141.68 1SG 688 ATOM 688 O PRO 105 27.515 -21.374 -1.621 1.00141.68 1SG 689 ATOM 689 N ARG 106 28.230 -19.403 -0.754 1.00138.59 1SG 690 ATOM 690 CA ARG 106 28.969 -20.114 0.254 1.00138.59 1SG 691 ATOM 691 CB ARG 106 29.725 -19.202 1.233 1.00138.59 1SG 692 ATOM 692 CG ARG 106 30.985 -18.535 0.716 1.00138.59 1SG 693 ATOM 693 CD ARG 106 31.744 -17.832 1.839 1.00138.59 1SG 694 ATOM 694 NE ARG 106 33.177 -17.806 1.453 1.00138.59 1SG 695 ATOM 695 CZ ARG 106 33.884 -16.657 1.618 1.00138.59 1SG 696 ATOM 696 NH1 ARG 106 33.248 -15.536 2.065 1.00138.59 1SG 697 ATOM 697 NH2 ARG 106 35.220 -16.640 1.347 1.00138.59 1SG 698 ATOM 698 C ARG 106 27.939 -20.680 1.141 1.00138.59 1SG 699 ATOM 699 O ARG 106 27.855 -21.880 1.406 1.00138.59 1SG 700 ATOM 700 N ARG 107 27.084 -19.747 1.550 1.00268.76 1SG 701 ATOM 701 CA ARG 107 26.071 -19.865 2.534 1.00268.76 1SG 702 ATOM 702 CB ARG 107 26.634 -19.249 3.829 1.00268.76 1SG 703 ATOM 703 CG ARG 107 26.082 -19.763 5.156 1.00268.76 1SG 704 ATOM 704 CD ARG 107 26.778 -19.088 6.338 1.00268.76 1SG 705 ATOM 705 NE ARG 107 26.524 -19.914 7.548 1.00268.76 1SG 706 ATOM 706 CZ ARG 107 27.550 -20.154 8.414 1.00268.76 1SG 707 ATOM 707 NH1 ARG 107 28.781 -19.618 8.166 1.00268.76 1SG 708 ATOM 708 NH2 ARG 107 27.347 -20.928 9.520 1.00268.76 1SG 709 ATOM 709 C ARG 107 25.054 -18.974 1.906 1.00268.76 1SG 710 ATOM 710 O ARG 107 24.834 -19.120 0.704 1.00268.76 1SG 711 ATOM 711 N PRO 108 24.397 -18.066 2.566 1.00125.02 1SG 712 ATOM 712 CA PRO 108 23.596 -17.208 1.759 1.00125.02 1SG 713 ATOM 713 CD PRO 108 23.787 -18.261 3.873 1.00125.02 1SG 714 ATOM 714 CB PRO 108 22.686 -16.437 2.725 1.00125.02 1SG 715 ATOM 715 CG PRO 108 23.117 -16.904 4.132 1.00125.02 1SG 716 ATOM 716 C PRO 108 24.516 -16.372 0.933 1.00125.02 1SG 717 ATOM 717 O PRO 108 25.526 -15.890 1.450 1.00125.02 1SG 718 ATOM 718 N GLY 109 24.184 -16.181 -0.355 1.00 23.54 1SG 719 ATOM 719 CA GLY 109 25.014 -15.389 -1.213 1.00 23.54 1SG 720 ATOM 720 C GLY 109 24.069 -14.552 -1.992 1.00 23.54 1SG 721 ATOM 721 O GLY 109 22.918 -14.937 -2.196 1.00 23.54 1SG 722 ATOM 722 N ARG 110 24.514 -13.375 -2.456 1.00 61.95 1SG 723 ATOM 723 CA ARG 110 23.555 -12.572 -3.142 1.00 61.95 1SG 724 ATOM 724 CB ARG 110 22.985 -11.452 -2.252 1.00 61.95 1SG 725 ATOM 725 CG ARG 110 21.951 -10.560 -2.939 1.00 61.95 1SG 726 ATOM 726 CD ARG 110 21.414 -9.458 -2.023 1.00 61.95 1SG 727 ATOM 727 NE ARG 110 20.423 -8.663 -2.800 1.00 61.95 1SG 728 ATOM 728 CZ ARG 110 19.685 -7.701 -2.170 1.00 61.95 1SG 729 ATOM 729 NH1 ARG 110 19.857 -7.480 -0.834 1.00 61.95 1SG 730 ATOM 730 NH2 ARG 110 18.776 -6.966 -2.873 1.00 61.95 1SG 731 ATOM 731 C ARG 110 24.188 -11.929 -4.329 1.00 61.95 1SG 732 ATOM 732 O ARG 110 25.335 -11.492 -4.286 1.00 61.95 1SG 733 ATOM 733 N VAL 111 23.432 -11.888 -5.442 1.00 49.33 1SG 734 ATOM 734 CA VAL 111 23.844 -11.192 -6.618 1.00 49.33 1SG 735 ATOM 735 CB VAL 111 23.837 -12.032 -7.858 1.00 49.33 1SG 736 ATOM 736 CG1 VAL 111 24.179 -11.141 -9.062 1.00 49.33 1SG 737 ATOM 737 CG2 VAL 111 24.815 -13.204 -7.656 1.00 49.33 1SG 738 ATOM 738 C VAL 111 22.783 -10.145 -6.761 1.00 49.33 1SG 739 ATOM 739 O VAL 111 21.600 -10.435 -6.588 1.00 49.33 1SG 740 ATOM 740 N MET 112 23.163 -8.886 -7.059 1.00 44.86 1SG 741 ATOM 741 CA MET 112 22.148 -7.868 -7.055 1.00 44.86 1SG 742 ATOM 742 CB MET 112 22.239 -6.992 -5.794 1.00 44.86 1SG 743 ATOM 743 CG MET 112 21.204 -5.871 -5.701 1.00 44.86 1SG 744 ATOM 744 SD MET 112 21.374 -4.870 -4.193 1.00 44.86 1SG 745 ATOM 745 CE MET 112 20.099 -3.661 -4.642 1.00 44.86 1SG 746 ATOM 746 C MET 112 22.321 -6.964 -8.229 1.00 44.86 1SG 747 ATOM 747 O MET 112 23.448 -6.696 -8.663 1.00 44.86 1SG 748 ATOM 748 N PHE 113 21.196 -6.489 -8.794 1.00 97.57 1SG 749 ATOM 749 CA PHE 113 21.285 -5.536 -9.856 1.00 97.57 1SG 750 ATOM 750 CB PHE 113 21.202 -6.138 -11.260 1.00 97.57 1SG 751 ATOM 751 CG PHE 113 21.623 -5.006 -12.121 1.00 97.57 1SG 752 ATOM 752 CD1 PHE 113 22.952 -4.785 -12.373 1.00 97.57 1SG 753 ATOM 753 CD2 PHE 113 20.699 -4.147 -12.651 1.00 97.57 1SG 754 ATOM 754 CE1 PHE 113 23.335 -3.726 -13.158 1.00 97.57 1SG 755 ATOM 755 CE2 PHE 113 21.067 -3.084 -13.439 1.00 97.57 1SG 756 ATOM 756 CZ PHE 113 22.398 -2.879 -13.692 1.00 97.57 1SG 757 ATOM 757 C PHE 113 20.134 -4.588 -9.703 1.00 97.57 1SG 758 ATOM 758 O PHE 113 19.034 -4.995 -9.323 1.00 97.57 1SG 759 ATOM 759 N VAL 114 20.346 -3.281 -9.990 1.00 40.25 1SG 760 ATOM 760 CA VAL 114 19.256 -2.367 -9.792 1.00 40.25 1SG 761 ATOM 761 CB VAL 114 19.275 -1.775 -8.414 1.00 40.25 1SG 762 ATOM 762 CG1 VAL 114 18.090 -0.813 -8.271 1.00 40.25 1SG 763 ATOM 763 CG2 VAL 114 19.301 -2.918 -7.391 1.00 40.25 1SG 764 ATOM 764 C VAL 114 19.394 -1.230 -10.762 1.00 40.25 1SG 765 ATOM 765 O VAL 114 20.492 -0.941 -11.249 1.00 40.25 1SG 766 ATOM 766 N ASP 115 18.266 -0.561 -11.080 1.00 78.22 1SG 767 ATOM 767 CA ASP 115 18.270 0.583 -11.953 1.00 78.22 1SG 768 ATOM 768 CB ASP 115 17.473 0.372 -13.254 1.00 78.22 1SG 769 ATOM 769 CG ASP 115 17.669 1.593 -14.146 1.00 78.22 1SG 770 ATOM 770 OD1 ASP 115 18.385 2.538 -13.713 1.00 78.22 1SG 771 ATOM 771 OD2 ASP 115 17.105 1.597 -15.272 1.00 78.22 1SG 772 ATOM 772 C ASP 115 17.602 1.705 -11.222 1.00 78.22 1SG 773 ATOM 773 O ASP 115 16.403 1.648 -10.950 1.00 78.22 1SG 774 ATOM 774 N LEU 116 18.364 2.773 -10.913 1.00123.74 1SG 775 ATOM 775 CA LEU 116 17.850 3.871 -10.146 1.00123.74 1SG 776 ATOM 776 CB LEU 116 18.901 4.514 -9.226 1.00123.74 1SG 777 ATOM 777 CG LEU 116 18.358 5.691 -8.401 1.00123.74 1SG 778 ATOM 778 CD2 LEU 116 19.499 6.537 -7.806 1.00123.74 1SG 779 ATOM 779 CD1 LEU 116 17.346 5.212 -7.357 1.00123.74 1SG 780 ATOM 780 C LEU 116 17.414 4.968 -11.050 1.00123.74 1SG 781 ATOM 781 O LEU 116 17.946 5.144 -12.141 1.00123.74 1SG 782 ATOM 782 N SER 117 16.400 5.729 -10.598 1.00 70.30 1SG 783 ATOM 783 CA SER 117 15.949 6.905 -11.284 1.00 70.30 1SG 784 ATOM 784 CB SER 117 14.463 6.862 -11.684 1.00 70.30 1SG 785 ATOM 785 OG SER 117 14.099 8.057 -12.359 1.00 70.30 1SG 786 ATOM 786 C SER 117 16.121 8.011 -10.301 1.00 70.30 1SG 787 ATOM 787 O SER 117 15.789 7.854 -9.129 1.00 70.30 1SG 788 ATOM 788 N GLU 118 16.664 9.162 -10.737 1.00 31.26 1SG 789 ATOM 789 CA GLU 118 16.877 10.203 -9.777 1.00 31.26 1SG 790 ATOM 790 CB GLU 118 18.272 10.159 -9.134 1.00 31.26 1SG 791 ATOM 791 CG GLU 118 18.469 11.188 -8.020 1.00 31.26 1SG 792 ATOM 792 CD GLU 118 19.884 11.038 -7.482 1.00 31.26 1SG 793 ATOM 793 OE1 GLU 118 20.637 10.176 -8.009 1.00 31.26 1SG 794 ATOM 794 OE2 GLU 118 20.231 11.790 -6.533 1.00 31.26 1SG 795 ATOM 795 C GLU 118 16.738 11.520 -10.461 1.00 31.26 1SG 796 ATOM 796 O GLU 118 16.699 11.603 -11.686 1.00 31.26 1SG 797 ATOM 797 N VAL 119 16.644 12.593 -9.656 1.00 22.57 1SG 798 ATOM 798 CA VAL 119 16.524 13.911 -10.196 1.00 22.57 1SG 799 ATOM 799 CB VAL 119 15.834 14.878 -9.277 1.00 22.57 1SG 800 ATOM 800 CG1 VAL 119 15.898 16.282 -9.904 1.00 22.57 1SG 801 ATOM 801 CG2 VAL 119 14.405 14.373 -9.014 1.00 22.57 1SG 802 ATOM 802 C VAL 119 17.913 14.419 -10.400 1.00 22.57 1SG 803 ATOM 803 O VAL 119 18.781 14.235 -9.549 1.00 22.57 1SG 804 ATOM 804 N ARG 120 18.160 15.057 -11.559 1.00 66.71 1SG 805 ATOM 805 CA ARG 120 19.469 15.564 -11.834 1.00 66.71 1SG 806 ATOM 806 CB ARG 120 19.796 15.598 -13.338 1.00 66.71 1SG 807 ATOM 807 CG ARG 120 21.196 16.132 -13.647 1.00 66.71 1SG 808 ATOM 808 CD ARG 120 21.520 16.152 -15.142 1.00 66.71 1SG 809 ATOM 809 NE ARG 120 22.898 16.696 -15.305 1.00 66.71 1SG 810 ATOM 810 CZ ARG 120 23.545 16.578 -16.501 1.00 66.71 1SG 811 ATOM 811 NH1 ARG 120 22.942 15.932 -17.542 1.00 66.71 1SG 812 ATOM 812 NH2 ARG 120 24.793 17.108 -16.659 1.00 66.71 1SG 813 ATOM 813 C ARG 120 19.511 16.998 -11.313 1.00 66.71 1SG 814 ATOM 814 O ARG 120 19.753 17.916 -12.140 1.00 66.71 1SG 815 ATOM 815 OXT ARG 120 19.298 17.191 -10.087 1.00 66.71 1SG 816 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.533 REMARK SCORE 0.533 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 16 PARENT 1LQ9_A ATOM 1 N MET 1 48.538 26.743 -0.769 1.00 70.33 1SG 2 ATOM 2 CA MET 1 47.202 26.412 -0.222 1.00 70.33 1SG 3 ATOM 3 CB MET 1 46.103 26.846 -1.207 1.00 70.33 1SG 4 ATOM 4 CG MET 1 44.691 26.694 -0.637 1.00 70.33 1SG 5 ATOM 5 SD MET 1 43.357 27.200 -1.762 1.00 70.33 1SG 6 ATOM 6 CE MET 1 42.035 26.981 -0.537 1.00 70.33 1SG 7 ATOM 7 C MET 1 47.095 24.939 -0.011 1.00 70.33 1SG 8 ATOM 8 O MET 1 46.963 24.465 1.116 1.00 70.33 1SG 9 ATOM 9 N GLU 2 47.172 24.176 -1.114 1.00 75.26 1SG 10 ATOM 10 CA GLU 2 47.077 22.749 -1.057 1.00 75.26 1SG 11 ATOM 11 CB GLU 2 47.041 22.074 -2.442 1.00 75.26 1SG 12 ATOM 12 CG GLU 2 48.278 22.313 -3.309 1.00 75.26 1SG 13 ATOM 13 CD GLU 2 48.061 21.573 -4.624 1.00 75.26 1SG 14 ATOM 14 OE1 GLU 2 47.001 20.903 -4.755 1.00 75.26 1SG 15 ATOM 15 OE2 GLU 2 48.949 21.665 -5.512 1.00 75.26 1SG 16 ATOM 16 C GLU 2 48.259 22.237 -0.302 1.00 75.26 1SG 17 ATOM 17 O GLU 2 48.185 21.184 0.329 1.00 75.26 1SG 18 ATOM 18 N ARG 3 49.379 22.987 -0.353 1.00106.04 1SG 19 ATOM 19 CA ARG 3 50.619 22.597 0.259 1.00106.04 1SG 20 ATOM 20 CB ARG 3 51.632 23.753 0.290 1.00106.04 1SG 21 ATOM 21 CG ARG 3 53.023 23.385 0.803 1.00106.04 1SG 22 ATOM 22 CD ARG 3 53.941 24.605 0.892 1.00106.04 1SG 23 ATOM 23 NE ARG 3 55.296 24.138 1.293 1.00106.04 1SG 24 ATOM 24 CZ ARG 3 56.303 25.050 1.423 1.00106.04 1SG 25 ATOM 25 NH1 ARG 3 56.046 26.378 1.243 1.00106.04 1SG 26 ATOM 26 NH2 ARG 3 57.567 24.635 1.727 1.00106.04 1SG 27 ATOM 27 C ARG 3 50.362 22.158 1.668 1.00106.04 1SG 28 ATOM 28 O ARG 3 49.787 22.857 2.501 1.00106.04 1SG 29 ATOM 29 N PRO 4 50.826 20.961 1.894 1.00 62.10 1SG 30 ATOM 30 CA PRO 4 50.651 20.215 3.113 1.00 62.10 1SG 31 ATOM 31 CD PRO 4 51.824 20.369 1.019 1.00 62.10 1SG 32 ATOM 32 CB PRO 4 51.319 18.867 2.846 1.00 62.10 1SG 33 ATOM 33 CG PRO 4 52.423 19.209 1.828 1.00 62.10 1SG 34 ATOM 34 C PRO 4 51.236 20.855 4.335 1.00 62.10 1SG 35 ATOM 35 O PRO 4 50.784 20.533 5.432 1.00 62.10 1SG 36 ATOM 36 N LYS 5 52.238 21.738 4.191 1.00 49.77 1SG 37 ATOM 37 CA LYS 5 52.903 22.275 5.345 1.00 49.77 1SG 38 ATOM 38 CB LYS 5 54.121 23.155 4.999 1.00 49.77 1SG 39 ATOM 39 CG LYS 5 55.317 22.345 4.485 1.00 49.77 1SG 40 ATOM 40 CD LYS 5 56.522 23.188 4.056 1.00 49.77 1SG 41 ATOM 41 CE LYS 5 57.776 22.353 3.779 1.00 49.77 1SG 42 ATOM 42 NZ LYS 5 58.974 23.223 3.727 1.00 49.77 1SG 43 ATOM 43 C LYS 5 51.955 23.069 6.194 1.00 49.77 1SG 44 ATOM 44 O LYS 5 52.067 23.065 7.419 1.00 49.77 1SG 45 ATOM 45 N LEU 6 50.983 23.755 5.568 1.00 76.32 1SG 46 ATOM 46 CA LEU 6 50.088 24.647 6.256 1.00 76.32 1SG 47 ATOM 47 CB LEU 6 49.072 25.230 5.261 1.00 76.32 1SG 48 ATOM 48 CG LEU 6 48.042 26.192 5.855 1.00 76.32 1SG 49 ATOM 49 CD2 LEU 6 47.057 26.651 4.767 1.00 76.32 1SG 50 ATOM 50 CD1 LEU 6 48.731 27.364 6.556 1.00 76.32 1SG 51 ATOM 51 C LEU 6 49.350 23.933 7.356 1.00 76.32 1SG 52 ATOM 52 O LEU 6 48.333 23.283 7.125 1.00 76.32 1SG 53 ATOM 53 N GLY 7 49.888 24.036 8.594 1.00 59.72 1SG 54 ATOM 54 CA GLY 7 49.352 23.452 9.800 1.00 59.72 1SG 55 ATOM 55 C GLY 7 48.118 24.135 10.322 1.00 59.72 1SG 56 ATOM 56 O GLY 7 47.204 23.472 10.810 1.00 59.72 1SG 57 ATOM 57 N LEU 8 48.073 25.484 10.309 1.00117.15 1SG 58 ATOM 58 CA LEU 8 46.926 26.135 10.882 1.00117.15 1SG 59 ATOM 59 CB LEU 8 47.146 26.534 12.357 1.00117.15 1SG 60 ATOM 60 CG LEU 8 45.935 27.183 13.063 1.00117.15 1SG 61 ATOM 61 CD2 LEU 8 44.702 26.269 12.988 1.00117.15 1SG 62 ATOM 62 CD1 LEU 8 45.654 28.607 12.556 1.00117.15 1SG 63 ATOM 63 C LEU 8 46.655 27.372 10.081 1.00117.15 1SG 64 ATOM 64 O LEU 8 47.586 28.047 9.646 1.00117.15 1SG 65 ATOM 65 N ILE 9 45.364 27.704 9.854 1.00 97.28 1SG 66 ATOM 66 CA ILE 9 45.076 28.900 9.112 1.00 97.28 1SG 67 ATOM 67 CB ILE 9 44.460 28.672 7.758 1.00 97.28 1SG 68 ATOM 68 CG2 ILE 9 45.455 27.852 6.927 1.00 97.28 1SG 69 ATOM 69 CG1 ILE 9 43.072 28.024 7.870 1.00 97.28 1SG 70 ATOM 70 CD1 ILE 9 42.295 28.035 6.552 1.00 97.28 1SG 71 ATOM 71 C ILE 9 44.119 29.738 9.900 1.00 97.28 1SG 72 ATOM 72 O ILE 9 43.254 29.219 10.605 1.00 97.28 1SG 73 ATOM 73 N VAL 10 44.273 31.076 9.802 1.00 33.87 1SG 74 ATOM 74 CA VAL 10 43.437 31.992 10.530 1.00 33.87 1SG 75 ATOM 75 CB VAL 10 44.171 32.648 11.668 1.00 33.87 1SG 76 ATOM 76 CG1 VAL 10 43.253 33.664 12.368 1.00 33.87 1SG 77 ATOM 77 CG2 VAL 10 44.682 31.538 12.602 1.00 33.87 1SG 78 ATOM 78 C VAL 10 42.987 33.059 9.571 1.00 33.87 1SG 79 ATOM 79 O VAL 10 43.591 33.252 8.517 1.00 33.87 1SG 80 ATOM 80 N ARG 11 41.883 33.766 9.906 1.00102.35 1SG 81 ATOM 81 CA ARG 11 41.349 34.797 9.055 1.00102.35 1SG 82 ATOM 82 CB ARG 11 39.954 34.402 8.532 1.00102.35 1SG 83 ATOM 83 CG ARG 11 39.424 35.163 7.315 1.00102.35 1SG 84 ATOM 84 CD ARG 11 38.126 34.536 6.793 1.00102.35 1SG 85 ATOM 85 NE ARG 11 37.657 35.306 5.608 1.00102.35 1SG 86 ATOM 86 CZ ARG 11 36.700 34.767 4.796 1.00102.35 1SG 87 ATOM 87 NH1 ARG 11 36.190 33.531 5.070 1.00102.35 1SG 88 ATOM 88 NH2 ARG 11 36.251 35.462 3.709 1.00102.35 1SG 89 ATOM 89 C ARG 11 41.221 36.048 9.889 1.00102.35 1SG 90 ATOM 90 O ARG 11 40.759 35.981 11.028 1.00102.35 1SG 91 ATOM 91 N GLU 12 41.640 37.224 9.349 1.00 90.62 1SG 92 ATOM 92 CA GLU 12 41.594 38.449 10.115 1.00 90.62 1SG 93 ATOM 93 CB GLU 12 42.785 38.567 11.093 1.00 90.62 1SG 94 ATOM 94 CG GLU 12 42.632 39.623 12.193 1.00 90.62 1SG 95 ATOM 95 CD GLU 12 43.737 39.399 13.214 1.00 90.62 1SG 96 ATOM 96 OE1 GLU 12 44.581 38.495 12.975 1.00 90.62 1SG 97 ATOM 97 OE2 GLU 12 43.750 40.119 14.248 1.00 90.62 1SG 98 ATOM 98 C GLU 12 41.589 39.650 9.182 1.00 90.62 1SG 99 ATOM 99 O GLU 12 41.717 39.529 7.966 1.00 90.62 1SG 100 ATOM 100 N PRO 13 41.344 40.808 9.748 1.00226.45 1SG 101 ATOM 101 CA PRO 13 41.316 42.057 8.993 1.00226.45 1SG 102 ATOM 102 CD PRO 13 40.265 40.782 10.723 1.00226.45 1SG 103 ATOM 103 CB PRO 13 40.341 42.976 9.727 1.00226.45 1SG 104 ATOM 104 CG PRO 13 39.398 42.018 10.460 1.00226.45 1SG 105 ATOM 105 C PRO 13 42.597 42.828 8.714 1.00226.45 1SG 106 ATOM 106 O PRO 13 43.661 42.425 9.181 1.00226.45 1SG 107 ATOM 107 N TYR 14 42.416 43.960 7.964 1.00386.78 1SG 108 ATOM 108 CA TYR 14 43.165 45.128 7.497 1.00386.78 1SG 109 ATOM 109 CB TYR 14 42.941 46.405 8.313 1.00386.78 1SG 110 ATOM 110 CG TYR 14 42.946 46.025 9.737 1.00386.78 1SG 111 ATOM 111 CD1 TYR 14 41.761 45.654 10.327 1.00386.78 1SG 112 ATOM 112 CD2 TYR 14 44.104 46.029 10.467 1.00386.78 1SG 113 ATOM 113 CE1 TYR 14 41.715 45.297 11.649 1.00386.78 1SG 114 ATOM 114 CE2 TYR 14 44.054 45.671 11.788 1.00386.78 1SG 115 ATOM 115 CZ TYR 14 42.871 45.309 12.385 1.00386.78 1SG 116 ATOM 116 OH TYR 14 42.844 44.946 13.748 1.00386.78 1SG 117 ATOM 117 C TYR 14 44.598 45.064 7.045 1.00386.78 1SG 118 ATOM 118 O TYR 14 45.542 45.086 7.833 1.00386.78 1SG 119 ATOM 119 N ALA 15 44.746 44.968 5.706 1.00 83.71 1SG 120 ATOM 120 CA ALA 15 45.936 44.952 4.903 1.00 83.71 1SG 121 ATOM 121 CB ALA 15 45.668 44.488 3.460 1.00 83.71 1SG 122 ATOM 122 C ALA 15 46.674 46.254 4.805 1.00 83.71 1SG 123 ATOM 123 O ALA 15 47.901 46.259 4.836 1.00 83.71 1SG 124 ATOM 124 N SER 16 45.973 47.395 4.665 1.00 72.77 1SG 125 ATOM 125 CA SER 16 46.680 48.611 4.357 1.00 72.77 1SG 126 ATOM 126 CB SER 16 45.749 49.829 4.216 1.00 72.77 1SG 127 ATOM 127 OG SER 16 46.507 50.991 3.912 1.00 72.77 1SG 128 ATOM 128 C SER 16 47.692 48.927 5.410 1.00 72.77 1SG 129 ATOM 129 O SER 16 48.890 48.987 5.139 1.00 72.77 1SG 130 ATOM 130 N LEU 17 47.229 49.116 6.654 1.00 42.12 1SG 131 ATOM 131 CA LEU 17 48.110 49.472 7.722 1.00 42.12 1SG 132 ATOM 132 CB LEU 17 47.331 49.755 9.019 1.00 42.12 1SG 133 ATOM 133 CG LEU 17 48.202 50.202 10.203 1.00 42.12 1SG 134 ATOM 134 CD2 LEU 17 47.429 50.128 11.530 1.00 42.12 1SG 135 ATOM 135 CD1 LEU 17 48.820 51.587 9.948 1.00 42.12 1SG 136 ATOM 136 C LEU 17 49.035 48.323 7.966 1.00 42.12 1SG 137 ATOM 137 O LEU 17 50.231 48.502 8.195 1.00 42.12 1SG 138 ATOM 138 N ILE 18 48.489 47.096 7.887 1.00 95.88 1SG 139 ATOM 139 CA ILE 18 49.235 45.922 8.224 1.00 95.88 1SG 140 ATOM 140 CB ILE 18 48.411 44.665 8.211 1.00 95.88 1SG 141 ATOM 141 CG2 ILE 18 48.115 44.274 6.757 1.00 95.88 1SG 142 ATOM 142 CG1 ILE 18 49.127 43.557 8.995 1.00 95.88 1SG 143 ATOM 143 CD1 ILE 18 48.222 42.368 9.307 1.00 95.88 1SG 144 ATOM 144 C ILE 18 50.401 45.748 7.304 1.00 95.88 1SG 145 ATOM 145 O ILE 18 51.493 45.411 7.758 1.00 95.88 1SG 146 ATOM 146 N VAL 19 50.223 45.977 5.988 1.00122.99 1SG 147 ATOM 147 CA VAL 19 51.321 45.736 5.105 1.00122.99 1SG 148 ATOM 148 CB VAL 19 50.913 45.535 3.674 1.00122.99 1SG 149 ATOM 149 CG1 VAL 19 52.183 45.394 2.816 1.00122.99 1SG 150 ATOM 150 CG2 VAL 19 49.973 44.321 3.597 1.00122.99 1SG 151 ATOM 151 C VAL 19 52.209 46.926 5.146 1.00122.99 1SG 152 ATOM 152 O VAL 19 52.229 47.748 4.231 1.00122.99 1SG 153 ATOM 153 N ASP 20 52.979 47.031 6.238 1.00153.50 1SG 154 ATOM 154 CA ASP 20 53.954 48.060 6.367 1.00153.50 1SG 155 ATOM 155 CB ASP 20 53.579 49.102 7.434 1.00153.50 1SG 156 ATOM 156 CG ASP 20 54.320 50.396 7.124 1.00153.50 1SG 157 ATOM 157 OD1 ASP 20 55.431 50.325 6.533 1.00153.50 1SG 158 ATOM 158 OD2 ASP 20 53.773 51.479 7.466 1.00153.50 1SG 159 ATOM 159 C ASP 20 55.150 47.302 6.832 1.00153.50 1SG 160 ATOM 160 O ASP 20 56.218 47.855 7.090 1.00153.50 1SG 161 ATOM 161 N GLY 21 54.958 45.969 6.922 1.00 75.17 1SG 162 ATOM 162 CA GLY 21 55.960 45.019 7.305 1.00 75.17 1SG 163 ATOM 163 C GLY 21 55.761 44.662 8.744 1.00 75.17 1SG 164 ATOM 164 O GLY 21 56.355 45.277 9.629 1.00 75.17 1SG 165 ATOM 165 N ARG 22 54.912 43.650 9.020 1.00298.19 1SG 166 ATOM 166 CA ARG 22 54.756 43.215 10.380 1.00298.19 1SG 167 ATOM 167 CB ARG 22 53.786 44.099 11.182 1.00298.19 1SG 168 ATOM 168 CG ARG 22 54.141 45.584 11.233 1.00298.19 1SG 169 ATOM 169 CD ARG 22 53.013 46.442 11.816 1.00298.19 1SG 170 ATOM 170 NE ARG 22 53.154 46.449 13.300 1.00298.19 1SG 171 ATOM 171 CZ ARG 22 52.050 46.586 14.093 1.00298.19 1SG 172 ATOM 172 NH1 ARG 22 50.806 46.628 13.535 1.00298.19 1SG 173 ATOM 173 NH2 ARG 22 52.190 46.681 15.447 1.00298.19 1SG 174 ATOM 174 C ARG 22 54.066 41.886 10.350 1.00298.19 1SG 175 ATOM 175 O ARG 22 52.924 41.816 10.798 1.00298.19 1SG 176 ATOM 176 N LYS 23 54.716 40.792 9.886 1.00263.09 1SG 177 ATOM 177 CA LYS 23 53.976 39.553 9.844 1.00263.09 1SG 178 ATOM 178 CB LYS 23 52.941 39.466 8.708 1.00263.09 1SG 179 ATOM 179 CG LYS 23 51.611 40.076 9.165 1.00263.09 1SG 180 ATOM 180 CD LYS 23 50.620 40.444 8.069 1.00263.09 1SG 181 ATOM 181 CE LYS 23 50.979 41.713 7.298 1.00263.09 1SG 182 ATOM 182 NZ LYS 23 50.024 41.899 6.184 1.00263.09 1SG 183 ATOM 183 C LYS 23 54.858 38.332 9.851 1.00263.09 1SG 184 ATOM 184 O LYS 23 56.034 38.400 10.204 1.00263.09 1SG 185 ATOM 185 N VAL 24 54.280 37.164 9.462 1.00104.96 1SG 186 ATOM 186 CA VAL 24 54.943 35.892 9.609 1.00104.96 1SG 187 ATOM 187 CB VAL 24 54.257 35.029 10.647 1.00104.96 1SG 188 ATOM 188 CG1 VAL 24 55.113 33.795 11.010 1.00104.96 1SG 189 ATOM 189 CG2 VAL 24 53.943 35.923 11.856 1.00104.96 1SG 190 ATOM 190 C VAL 24 54.991 35.189 8.265 1.00104.96 1SG 191 ATOM 191 O VAL 24 55.257 35.818 7.241 1.00104.96 1SG 192 ATOM 192 N TRP 25 54.740 33.858 8.243 1.00156.10 1SG 193 ATOM 193 CA TRP 25 54.934 32.978 7.119 1.00156.10 1SG 194 ATOM 194 CB TRP 25 54.365 31.581 7.427 1.00156.10 1SG 195 ATOM 195 CG TRP 25 54.577 30.511 6.384 1.00156.10 1SG 196 ATOM 196 CD2 TRP 25 53.804 29.302 6.335 1.00156.10 1SG 197 ATOM 197 CD1 TRP 25 55.472 30.440 5.357 1.00156.10 1SG 198 ATOM 198 NE1 TRP 25 55.313 29.254 4.678 1.00156.10 1SG 199 ATOM 199 CE2 TRP 25 54.286 28.546 5.268 1.00156.10 1SG 200 ATOM 200 CE3 TRP 25 52.776 28.859 7.118 1.00156.10 1SG 201 ATOM 201 CZ2 TRP 25 53.746 27.328 4.968 1.00156.10 1SG 202 ATOM 202 CZ3 TRP 25 52.231 27.633 6.812 1.00156.10 1SG 203 ATOM 203 CH2 TRP 25 52.708 26.882 5.757 1.00156.10 1SG 204 ATOM 204 C TRP 25 54.219 33.499 5.917 1.00156.10 1SG 205 ATOM 205 O TRP 25 54.855 33.886 4.937 1.00156.10 1SG 206 ATOM 206 N GLU 26 52.877 33.545 5.951 1.00 83.68 1SG 207 ATOM 207 CA GLU 26 52.204 34.103 4.819 1.00 83.68 1SG 208 ATOM 208 CB GLU 26 51.825 33.120 3.697 1.00 83.68 1SG 209 ATOM 209 CG GLU 26 51.111 33.838 2.544 1.00 83.68 1SG 210 ATOM 210 CD GLU 26 50.729 32.835 1.465 1.00 83.68 1SG 211 ATOM 211 OE1 GLU 26 51.025 31.623 1.643 1.00 83.68 1SG 212 ATOM 212 OE2 GLU 26 50.129 33.271 0.446 1.00 83.68 1SG 213 ATOM 213 C GLU 26 50.922 34.651 5.306 1.00 83.68 1SG 214 ATOM 214 O GLU 26 50.189 34.001 6.050 1.00 83.68 1SG 215 ATOM 215 N ILE 27 50.625 35.891 4.902 1.00 87.86 1SG 216 ATOM 216 CA ILE 27 49.378 36.433 5.306 1.00 87.86 1SG 217 ATOM 217 CB ILE 27 49.570 37.450 6.393 1.00 87.86 1SG 218 ATOM 218 CG2 ILE 27 49.990 38.776 5.740 1.00 87.86 1SG 219 ATOM 219 CG1 ILE 27 48.336 37.527 7.301 1.00 87.86 1SG 220 ATOM 220 CD1 ILE 27 48.592 38.286 8.604 1.00 87.86 1SG 221 ATOM 221 C ILE 27 48.838 37.045 4.051 1.00 87.86 1SG 222 ATOM 222 O ILE 27 49.583 37.653 3.283 1.00 87.86 1SG 223 ATOM 223 N ARG 28 47.538 36.866 3.759 1.00103.60 1SG 224 ATOM 224 CA ARG 28 47.083 37.421 2.519 1.00103.60 1SG 225 ATOM 225 CB ARG 28 46.549 36.401 1.499 1.00103.60 1SG 226 ATOM 226 CG ARG 28 46.086 37.083 0.208 1.00103.60 1SG 227 ATOM 227 CD ARG 28 45.519 36.159 -0.866 1.00103.60 1SG 228 ATOM 228 NE ARG 28 45.140 37.034 -2.011 1.00103.60 1SG 229 ATOM 229 CZ ARG 28 44.894 36.494 -3.239 1.00103.60 1SG 230 ATOM 230 NH1 ARG 28 44.979 35.144 -3.418 1.00103.60 1SG 231 ATOM 231 NH2 ARG 28 44.568 37.306 -4.287 1.00103.60 1SG 232 ATOM 232 C ARG 28 45.966 38.354 2.809 1.00103.60 1SG 233 ATOM 233 O ARG 28 45.306 38.258 3.843 1.00103.60 1SG 234 ATOM 234 N ARG 29 45.748 39.314 1.893 1.00154.89 1SG 235 ATOM 235 CA ARG 29 44.699 40.246 2.118 1.00154.89 1SG 236 ATOM 236 CB ARG 29 45.271 41.514 2.751 1.00154.89 1SG 237 ATOM 237 CG ARG 29 45.473 41.216 4.236 1.00154.89 1SG 238 ATOM 238 CD ARG 29 46.475 42.087 4.973 1.00154.89 1SG 239 ATOM 239 NE ARG 29 46.099 42.001 6.410 1.00154.89 1SG 240 ATOM 240 CZ ARG 29 46.467 40.876 7.076 1.00154.89 1SG 241 ATOM 241 NH1 ARG 29 47.172 39.947 6.377 1.00154.89 1SG 242 ATOM 242 NH2 ARG 29 46.113 40.666 8.378 1.00154.89 1SG 243 ATOM 243 C ARG 29 43.973 40.506 0.834 1.00154.89 1SG 244 ATOM 244 O ARG 29 44.587 40.749 -0.204 1.00154.89 1SG 245 ATOM 245 N ARG 30 42.621 40.432 0.884 1.00 94.53 1SG 246 ATOM 246 CA ARG 30 41.802 40.607 -0.286 1.00 94.53 1SG 247 ATOM 247 CB ARG 30 41.051 39.319 -0.660 1.00 94.53 1SG 248 ATOM 248 CG ARG 30 41.936 38.072 -0.731 1.00 94.53 1SG 249 ATOM 249 CD ARG 30 41.128 36.777 -0.854 1.00 94.53 1SG 250 ATOM 250 NE ARG 30 42.048 35.636 -0.584 1.00 94.53 1SG 251 ATOM 251 CZ ARG 30 41.537 34.438 -0.174 1.00 94.53 1SG 252 ATOM 252 NH1 ARG 30 40.187 34.280 -0.048 1.00 94.53 1SG 253 ATOM 253 NH2 ARG 30 42.374 33.400 0.118 1.00 94.53 1SG 254 ATOM 254 C ARG 30 40.716 41.594 0.041 1.00 94.53 1SG 255 ATOM 255 O ARG 30 39.834 41.305 0.847 1.00 94.53 1SG 256 ATOM 256 N LYS 31 40.696 42.757 -0.640 1.00 52.14 1SG 257 ATOM 257 CA LYS 31 39.722 43.773 -0.336 1.00 52.14 1SG 258 ATOM 258 CB LYS 31 39.811 45.010 -1.247 1.00 52.14 1SG 259 ATOM 259 CG LYS 31 38.720 46.043 -0.952 1.00 52.14 1SG 260 ATOM 260 CD LYS 31 38.937 47.401 -1.622 1.00 52.14 1SG 261 ATOM 261 CE LYS 31 37.769 48.369 -1.412 1.00 52.14 1SG 262 ATOM 262 NZ LYS 31 38.163 49.737 -1.815 1.00 52.14 1SG 263 ATOM 263 C LYS 31 38.345 43.220 -0.506 1.00 52.14 1SG 264 ATOM 264 O LYS 31 38.084 42.433 -1.415 1.00 52.14 1SG 265 ATOM 265 N THR 32 37.426 43.619 0.402 1.00101.75 1SG 266 ATOM 266 CA THR 32 36.066 43.177 0.302 1.00101.75 1SG 267 ATOM 267 CB THR 32 35.305 43.214 1.594 1.00101.75 1SG 268 ATOM 268 OG1 THR 32 34.079 42.511 1.459 1.00101.75 1SG 269 ATOM 269 CG2 THR 32 35.021 44.677 1.961 1.00101.75 1SG 270 ATOM 270 C THR 32 35.380 44.086 -0.665 1.00101.75 1SG 271 ATOM 271 O THR 32 35.589 45.298 -0.652 1.00101.75 1SG 272 ATOM 272 N ARG 33 34.534 43.495 -1.530 1.00115.85 1SG 273 ATOM 273 CA ARG 33 33.862 44.202 -2.580 1.00115.85 1SG 274 ATOM 274 CB ARG 33 33.107 43.252 -3.533 1.00115.85 1SG 275 ATOM 275 CG ARG 33 32.750 43.871 -4.890 1.00115.85 1SG 276 ATOM 276 CD ARG 33 32.258 42.847 -5.921 1.00115.85 1SG 277 ATOM 277 NE ARG 33 31.950 43.579 -7.185 1.00115.85 1SG 278 ATOM 278 CZ ARG 33 31.676 42.886 -8.330 1.00115.85 1SG 279 ATOM 279 NH1 ARG 33 31.674 41.521 -8.321 1.00115.85 1SG 280 ATOM 280 NH2 ARG 33 31.400 43.558 -9.486 1.00115.85 1SG 281 ATOM 281 C ARG 33 32.893 45.195 -2.012 1.00115.85 1SG 282 ATOM 282 O ARG 33 32.778 46.310 -2.518 1.00115.85 1SG 283 ATOM 283 N HIS 34 32.181 44.835 -0.927 1.00267.03 1SG 284 ATOM 284 CA HIS 34 31.176 45.723 -0.411 1.00267.03 1SG 285 ATOM 285 ND1 HIS 34 30.671 44.599 2.753 1.00267.03 1SG 286 ATOM 286 CG HIS 34 30.515 44.149 1.461 1.00267.03 1SG 287 ATOM 287 CB HIS 34 30.036 44.999 0.324 1.00267.03 1SG 288 ATOM 288 NE2 HIS 34 31.263 42.456 2.751 1.00267.03 1SG 289 ATOM 289 CD2 HIS 34 30.881 42.838 1.478 1.00267.03 1SG 290 ATOM 290 CE1 HIS 34 31.120 43.547 3.482 1.00267.03 1SG 291 ATOM 291 C HIS 34 31.799 46.705 0.529 1.00267.03 1SG 292 ATOM 292 O HIS 34 32.835 46.442 1.139 1.00267.03 1SG 293 ATOM 293 N ARG 35 31.170 47.894 0.640 1.00280.86 1SG 294 ATOM 294 CA ARG 35 31.679 48.950 1.467 1.00280.86 1SG 295 ATOM 295 CB ARG 35 32.210 50.134 0.640 1.00280.86 1SG 296 ATOM 296 CG ARG 35 32.953 51.192 1.455 1.00280.86 1SG 297 ATOM 297 CD ARG 35 33.726 52.190 0.588 1.00280.86 1SG 298 ATOM 298 NE ARG 35 34.394 53.155 1.506 1.00280.86 1SG 299 ATOM 299 CZ ARG 35 35.490 53.860 1.097 1.00280.86 1SG 300 ATOM 300 NH1 ARG 35 36.003 53.671 -0.154 1.00280.86 1SG 301 ATOM 301 NH2 ARG 35 36.073 54.757 1.944 1.00280.86 1SG 302 ATOM 302 C ARG 35 30.543 49.440 2.308 1.00280.86 1SG 303 ATOM 303 O ARG 35 29.388 49.096 2.061 1.00280.86 1SG 304 ATOM 304 N GLY 36 30.833 50.248 3.349 1.00133.35 1SG 305 ATOM 305 CA GLY 36 29.740 50.692 4.164 1.00133.35 1SG 306 ATOM 306 C GLY 36 29.903 52.142 4.502 1.00133.35 1SG 307 ATOM 307 O GLY 36 30.993 52.674 4.715 1.00133.35 1SG 308 ATOM 308 N PRO 37 28.750 52.749 4.519 1.00212.70 1SG 309 ATOM 309 CA PRO 37 28.562 54.155 4.818 1.00212.70 1SG 310 ATOM 310 CD PRO 37 27.677 52.202 3.704 1.00212.70 1SG 311 ATOM 311 CB PRO 37 27.127 54.440 4.399 1.00212.70 1SG 312 ATOM 312 CG PRO 37 26.804 53.397 3.320 1.00212.70 1SG 313 ATOM 313 C PRO 37 28.707 54.462 6.276 1.00212.70 1SG 314 ATOM 314 O PRO 37 28.079 53.754 7.049 1.00212.70 1SG 315 ATOM 315 N LEU 38 29.428 55.502 6.749 1.00356.10 1SG 316 ATOM 316 CA LEU 38 29.277 55.523 8.179 1.00356.10 1SG 317 ATOM 317 CB LEU 38 29.978 54.380 8.904 1.00356.10 1SG 318 ATOM 318 CG LEU 38 29.443 54.330 10.331 1.00356.10 1SG 319 ATOM 319 CD2 LEU 38 30.155 53.266 11.157 1.00356.10 1SG 320 ATOM 320 CD1 LEU 38 27.917 54.141 10.312 1.00356.10 1SG 321 ATOM 321 C LEU 38 29.744 56.780 8.848 1.00356.10 1SG 322 ATOM 322 O LEU 38 30.731 57.397 8.453 1.00356.10 1SG 323 ATOM 323 N GLY 39 29.056 57.164 9.945 1.00132.67 1SG 324 ATOM 324 CA GLY 39 29.458 58.344 10.656 1.00132.67 1SG 325 ATOM 325 C GLY 39 29.589 58.028 12.117 1.00132.67 1SG 326 ATOM 326 O GLY 39 28.624 57.660 12.785 1.00132.67 1SG 327 ATOM 327 N ILE 40 30.827 58.181 12.633 1.00111.81 1SG 328 ATOM 328 CA ILE 40 31.182 57.983 14.011 1.00111.81 1SG 329 ATOM 329 CB ILE 40 31.666 56.597 14.295 1.00111.81 1SG 330 ATOM 330 CG2 ILE 40 32.871 56.359 13.382 1.00111.81 1SG 331 ATOM 331 CG1 ILE 40 31.978 56.402 15.788 1.00111.81 1SG 332 ATOM 332 CD1 ILE 40 32.386 54.971 16.135 1.00111.81 1SG 333 ATOM 333 C ILE 40 32.362 58.871 14.247 1.00111.81 1SG 334 ATOM 334 O ILE 40 33.003 59.305 13.293 1.00111.81 1SG 335 ATOM 335 N VAL 41 32.686 59.194 15.514 1.00 74.09 1SG 336 ATOM 336 CA VAL 41 33.875 59.979 15.686 1.00 74.09 1SG 337 ATOM 337 CB VAL 41 33.743 61.010 16.770 1.00 74.09 1SG 338 ATOM 338 CG1 VAL 41 35.064 61.793 16.877 1.00 74.09 1SG 339 ATOM 339 CG2 VAL 41 32.513 61.883 16.467 1.00 74.09 1SG 340 ATOM 340 C VAL 41 34.945 59.020 16.107 1.00 74.09 1SG 341 ATOM 341 O VAL 41 35.457 59.100 17.221 1.00 74.09 1SG 342 ATOM 342 N SER 42 35.318 58.111 15.184 1.00227.09 1SG 343 ATOM 343 CA SER 42 36.284 57.059 15.369 1.00227.09 1SG 344 ATOM 344 CB SER 42 36.070 56.182 16.620 1.00227.09 1SG 345 ATOM 345 OG SER 42 36.507 56.833 17.803 1.00227.09 1SG 346 ATOM 346 C SER 42 36.028 56.151 14.218 1.00227.09 1SG 347 ATOM 347 O SER 42 35.587 56.596 13.160 1.00227.09 1SG 348 ATOM 348 N GLY 43 36.357 54.852 14.356 1.00112.76 1SG 349 ATOM 349 CA GLY 43 35.862 53.988 13.330 1.00112.76 1SG 350 ATOM 350 C GLY 43 36.922 53.204 12.634 1.00112.76 1SG 351 ATOM 351 O GLY 43 38.121 53.444 12.766 1.00112.76 1SG 352 ATOM 352 N GLY 44 36.419 52.236 11.839 1.00102.45 1SG 353 ATOM 353 CA GLY 44 37.103 51.278 11.025 1.00102.45 1SG 354 ATOM 354 C GLY 44 36.166 50.126 11.067 1.00102.45 1SG 355 ATOM 355 O GLY 44 36.312 49.226 11.893 1.00102.45 1SG 356 ATOM 356 N ARG 45 35.166 50.127 10.165 1.00170.89 1SG 357 ATOM 357 CA ARG 45 34.154 49.126 10.289 1.00170.89 1SG 358 ATOM 358 CB ARG 45 33.139 49.121 9.149 1.00170.89 1SG 359 ATOM 359 CG ARG 45 32.436 47.765 9.166 1.00170.89 1SG 360 ATOM 360 CD ARG 45 31.897 47.274 7.826 1.00170.89 1SG 361 ATOM 361 NE ARG 45 31.546 45.838 8.004 1.00170.89 1SG 362 ATOM 362 CZ ARG 45 30.504 45.274 7.326 1.00170.89 1SG 363 ATOM 363 NH1 ARG 45 29.705 46.043 6.530 1.00170.89 1SG 364 ATOM 364 NH2 ARG 45 30.272 43.933 7.443 1.00170.89 1SG 365 ATOM 365 C ARG 45 34.731 47.769 10.188 1.00170.89 1SG 366 ATOM 366 O ARG 45 34.681 46.974 11.125 1.00170.89 1SG 367 ATOM 367 N LEU 46 35.328 47.487 9.027 1.00201.29 1SG 368 ATOM 368 CA LEU 46 35.803 46.169 8.810 1.00201.29 1SG 369 ATOM 369 CB LEU 46 34.704 45.152 8.446 1.00201.29 1SG 370 ATOM 370 CG LEU 46 35.254 43.729 8.222 1.00201.29 1SG 371 ATOM 371 CD2 LEU 46 34.180 42.789 7.651 1.00201.29 1SG 372 ATOM 372 CD1 LEU 46 35.902 43.179 9.504 1.00201.29 1SG 373 ATOM 373 C LEU 46 36.705 46.270 7.654 1.00201.29 1SG 374 ATOM 374 O LEU 46 37.793 46.833 7.787 1.00201.29 1SG 375 ATOM 375 N ILE 47 36.175 45.778 6.505 1.00160.98 1SG 376 ATOM 376 CA ILE 47 36.822 45.548 5.247 1.00160.98 1SG 377 ATOM 377 CB ILE 47 36.521 46.607 4.224 1.00160.98 1SG 378 ATOM 378 CG2 ILE 47 36.819 47.988 4.831 1.00160.98 1SG 379 ATOM 379 CG1 ILE 47 37.268 46.312 2.915 1.00160.98 1SG 380 ATOM 380 CD1 ILE 47 36.757 47.140 1.739 1.00160.98 1SG 381 ATOM 381 C ILE 47 38.270 45.522 5.501 1.00160.98 1SG 382 ATOM 382 O ILE 47 39.033 46.397 5.095 1.00160.98 1SG 383 ATOM 383 N GLY 48 38.670 44.439 6.173 1.00110.54 1SG 384 ATOM 384 CA GLY 48 40.031 44.259 6.507 1.00110.54 1SG 385 ATOM 385 C GLY 48 40.353 43.071 5.716 1.00110.54 1SG 386 ATOM 386 O GLY 48 40.962 42.116 6.196 1.00110.54 1SG 387 ATOM 387 N GLN 49 39.916 43.156 4.446 1.00198.65 1SG 388 ATOM 388 CA GLN 49 40.085 42.162 3.442 1.00198.65 1SG 389 ATOM 389 CB GLN 49 41.494 42.124 2.839 1.00198.65 1SG 390 ATOM 390 CG GLN 49 42.541 41.617 3.813 1.00198.65 1SG 391 ATOM 391 CD GLN 49 43.038 42.824 4.568 1.00198.65 1SG 392 ATOM 392 OE1 GLN 49 43.512 42.678 5.694 1.00198.65 1SG 393 ATOM 393 NE2 GLN 49 42.877 44.026 3.952 1.00198.65 1SG 394 ATOM 394 C GLN 49 39.830 40.818 4.026 1.00198.65 1SG 395 ATOM 395 O GLN 49 39.224 40.660 5.085 1.00198.65 1SG 396 ATOM 396 N ALA 50 40.223 39.785 3.268 1.00 48.96 1SG 397 ATOM 397 CA ALA 50 40.151 38.472 3.814 1.00 48.96 1SG 398 ATOM 398 CB ALA 50 39.598 37.430 2.828 1.00 48.96 1SG 399 ATOM 399 C ALA 50 41.575 38.126 4.076 1.00 48.96 1SG 400 ATOM 400 O ALA 50 42.390 38.089 3.156 1.00 48.96 1SG 401 ATOM 401 N ASP 51 41.922 37.879 5.349 1.00 36.74 1SG 402 ATOM 402 CA ASP 51 43.287 37.560 5.626 1.00 36.74 1SG 403 ATOM 403 CB ASP 51 43.807 38.095 6.969 1.00 36.74 1SG 404 ATOM 404 CG ASP 51 45.263 37.698 7.147 1.00 36.74 1SG 405 ATOM 405 OD1 ASP 51 45.859 37.160 6.177 1.00 36.74 1SG 406 ATOM 406 OD2 ASP 51 45.796 37.922 8.268 1.00 36.74 1SG 407 ATOM 407 C ASP 51 43.378 36.084 5.704 1.00 36.74 1SG 408 ATOM 408 O ASP 51 42.881 35.470 6.647 1.00 36.74 1SG 409 ATOM 409 N LEU 52 44.003 35.476 4.686 1.00 81.53 1SG 410 ATOM 410 CA LEU 52 44.197 34.066 4.736 1.00 81.53 1SG 411 ATOM 411 CB LEU 52 44.127 33.406 3.345 1.00 81.53 1SG 412 ATOM 412 CG LEU 52 44.172 31.866 3.354 1.00 81.53 1SG 413 ATOM 413 CD2 LEU 52 42.957 31.282 4.092 1.00 81.53 1SG 414 ATOM 414 CD1 LEU 52 45.514 31.333 3.878 1.00 81.53 1SG 415 ATOM 415 C LEU 52 45.585 33.934 5.263 1.00 81.53 1SG 416 ATOM 416 O LEU 52 46.546 34.334 4.607 1.00 81.53 1SG 417 ATOM 417 N VAL 53 45.725 33.383 6.481 1.00 26.67 1SG 418 ATOM 418 CA VAL 53 47.022 33.302 7.080 1.00 26.67 1SG 419 ATOM 419 CB VAL 53 47.057 33.825 8.485 1.00 26.67 1SG 420 ATOM 420 CG1 VAL 53 48.451 33.556 9.075 1.00 26.67 1SG 421 ATOM 421 CG2 VAL 53 46.659 35.310 8.466 1.00 26.67 1SG 422 ATOM 422 C VAL 53 47.402 31.866 7.140 1.00 26.67 1SG 423 ATOM 423 O VAL 53 46.546 30.989 7.254 1.00 26.67 1SG 424 ATOM 424 N GLY 54 48.717 31.590 7.049 1.00 23.07 1SG 425 ATOM 425 CA GLY 54 49.142 30.226 7.086 1.00 23.07 1SG 426 ATOM 426 C GLY 54 50.190 30.083 8.139 1.00 23.07 1SG 427 ATOM 427 O GLY 54 51.110 30.894 8.234 1.00 23.07 1SG 428 ATOM 428 N VAL 55 50.068 29.016 8.956 1.00 36.38 1SG 429 ATOM 429 CA VAL 55 51.012 28.758 10.003 1.00 36.38 1SG 430 ATOM 430 CB VAL 55 50.486 29.104 11.361 1.00 36.38 1SG 431 ATOM 431 CG1 VAL 55 51.533 28.696 12.411 1.00 36.38 1SG 432 ATOM 432 CG2 VAL 55 50.123 30.598 11.374 1.00 36.38 1SG 433 ATOM 433 C VAL 55 51.275 27.286 10.000 1.00 36.38 1SG 434 ATOM 434 O VAL 55 50.405 26.491 9.652 1.00 36.38 1SG 435 ATOM 435 N GLU 56 52.505 26.883 10.371 1.00 45.82 1SG 436 ATOM 436 CA GLU 56 52.845 25.490 10.375 1.00 45.82 1SG 437 ATOM 437 CB GLU 56 54.359 25.235 10.477 1.00 45.82 1SG 438 ATOM 438 CG GLU 56 55.058 25.636 9.173 1.00 45.82 1SG 439 ATOM 439 CD GLU 56 56.549 25.346 9.254 1.00 45.82 1SG 440 ATOM 440 OE1 GLU 56 57.014 24.861 10.319 1.00 45.82 1SG 441 ATOM 441 OE2 GLU 56 57.245 25.607 8.236 1.00 45.82 1SG 442 ATOM 442 C GLU 56 52.108 24.758 11.459 1.00 45.82 1SG 443 ATOM 443 O GLU 56 51.667 23.630 11.253 1.00 45.82 1SG 444 ATOM 444 N GLY 57 51.946 25.364 12.650 1.00 34.03 1SG 445 ATOM 445 CA GLY 57 51.219 24.694 13.697 1.00 34.03 1SG 446 ATOM 446 C GLY 57 50.788 25.764 14.638 1.00 34.03 1SG 447 ATOM 447 O GLY 57 51.457 26.788 14.696 1.00 34.03 1SG 448 ATOM 448 N PRO 58 49.703 25.565 15.357 1.00 93.33 1SG 449 ATOM 449 CA PRO 58 49.156 26.547 16.273 1.00 93.33 1SG 450 ATOM 450 CD PRO 58 48.698 24.614 14.915 1.00 93.33 1SG 451 ATOM 451 CB PRO 58 47.672 26.196 16.423 1.00 93.33 1SG 452 ATOM 452 CG PRO 58 47.568 24.736 15.946 1.00 93.33 1SG 453 ATOM 453 C PRO 58 49.855 26.599 17.599 1.00 93.33 1SG 454 ATOM 454 O PRO 58 50.465 25.595 17.943 1.00 93.33 1SG 455 ATOM 455 N PHE 59 49.760 27.745 18.332 1.00269.81 1SG 456 ATOM 456 CA PHE 59 50.272 28.032 19.664 1.00269.81 1SG 457 ATOM 457 CB PHE 59 51.511 28.976 19.705 1.00269.81 1SG 458 ATOM 458 CG PHE 59 52.341 29.044 20.961 1.00269.81 1SG 459 ATOM 459 CD1 PHE 59 53.322 28.124 21.248 1.00269.81 1SG 460 ATOM 460 CD2 PHE 59 52.210 30.080 21.845 1.00269.81 1SG 461 ATOM 461 CE1 PHE 59 54.104 28.190 22.373 1.00269.81 1SG 462 ATOM 462 CE2 PHE 59 52.980 30.172 22.984 1.00269.81 1SG 463 ATOM 463 CZ PHE 59 53.933 29.223 23.256 1.00269.81 1SG 464 ATOM 464 C PHE 59 49.169 28.869 20.230 1.00269.81 1SG 465 ATOM 465 O PHE 59 48.066 28.892 19.686 1.00269.81 1SG 466 ATOM 466 N SER 60 49.414 29.544 21.366 1.00172.96 1SG 467 ATOM 467 CA SER 60 48.426 30.454 21.870 1.00172.96 1SG 468 ATOM 468 CB SER 60 47.363 29.767 22.747 1.00172.96 1SG 469 ATOM 469 OG SER 60 46.415 30.715 23.215 1.00172.96 1SG 470 ATOM 470 C SER 60 49.179 31.412 22.728 1.00172.96 1SG 471 ATOM 471 O SER 60 50.160 31.026 23.355 1.00172.96 1SG 472 ATOM 472 N VAL 61 48.815 32.706 22.771 1.00108.38 1SG 473 ATOM 473 CA VAL 61 49.609 33.426 23.715 1.00108.38 1SG 474 ATOM 474 CB VAL 61 50.834 34.129 23.215 1.00108.38 1SG 475 ATOM 475 CG1 VAL 61 51.262 35.137 24.296 1.00108.38 1SG 476 ATOM 476 CG2 VAL 61 51.943 33.079 23.023 1.00108.38 1SG 477 ATOM 477 C VAL 61 48.851 34.381 24.551 1.00108.38 1SG 478 ATOM 478 O VAL 61 48.184 35.315 24.110 1.00108.38 1SG 479 ATOM 479 N GLU 62 48.992 34.053 25.832 1.00259.91 1SG 480 ATOM 480 CA GLU 62 48.691 34.659 27.076 1.00259.91 1SG 481 ATOM 481 CB GLU 62 47.349 34.183 27.635 1.00259.91 1SG 482 ATOM 482 CG GLU 62 46.974 34.739 29.006 1.00259.91 1SG 483 ATOM 483 CD GLU 62 45.873 33.822 29.512 1.00259.91 1SG 484 ATOM 484 OE1 GLU 62 45.760 32.702 28.946 1.00259.91 1SG 485 ATOM 485 OE2 GLU 62 45.139 34.213 30.458 1.00259.91 1SG 486 ATOM 486 C GLU 62 49.738 33.885 27.773 1.00259.91 1SG 487 ATOM 487 O GLU 62 49.568 33.390 28.886 1.00259.91 1SG 488 ATOM 488 N GLU 63 50.890 33.813 27.075 1.00316.95 1SG 489 ATOM 489 CA GLU 63 51.933 32.890 27.393 1.00316.95 1SG 490 ATOM 490 CB GLU 63 52.408 33.008 28.862 1.00316.95 1SG 491 ATOM 491 CG GLU 63 53.087 34.336 29.244 1.00316.95 1SG 492 ATOM 492 CD GLU 63 52.091 35.323 29.865 1.00316.95 1SG 493 ATOM 493 OE1 GLU 63 51.142 35.765 29.166 1.00316.95 1SG 494 ATOM 494 OE2 GLU 63 52.291 35.671 31.060 1.00316.95 1SG 495 ATOM 495 C GLU 63 51.254 31.559 27.230 1.00316.95 1SG 496 ATOM 496 O GLU 63 50.761 31.029 28.223 1.00316.95 1SG 497 ATOM 497 N LEU 64 51.218 30.958 26.000 1.00237.95 1SG 498 ATOM 498 CA LEU 64 50.380 29.783 25.878 1.00237.95 1SG 499 ATOM 499 CB LEU 64 48.897 30.109 25.567 1.00237.95 1SG 500 ATOM 500 CG LEU 64 48.161 30.949 26.640 1.00237.95 1SG 501 ATOM 501 CD2 LEU 64 48.099 30.234 28.001 1.00237.95 1SG 502 ATOM 502 CD1 LEU 64 46.754 31.338 26.156 1.00237.95 1SG 503 ATOM 503 C LEU 64 50.893 28.638 24.992 1.00237.95 1SG 504 ATOM 504 O LEU 64 52.072 28.293 25.028 1.00237.95 1SG 505 ATOM 505 N LEU 65 49.961 27.997 24.217 1.00265.32 1SG 506 ATOM 506 CA LEU 65 50.085 26.629 23.732 1.00265.32 1SG 507 ATOM 507 CB LEU 65 48.689 26.198 23.196 1.00265.32 1SG 508 ATOM 508 CG LEU 65 48.268 24.700 23.148 1.00265.32 1SG 509 ATOM 509 CD2 LEU 65 49.001 23.805 22.136 1.00265.32 1SG 510 ATOM 510 CD1 LEU 65 46.754 24.632 22.891 1.00265.32 1SG 511 ATOM 511 C LEU 65 51.193 26.146 22.804 1.00265.32 1SG 512 ATOM 512 O LEU 65 52.360 26.099 23.188 1.00265.32 1SG 513 ATOM 513 N ALA 66 50.845 25.810 21.538 1.00127.42 1SG 514 ATOM 514 CA ALA 66 51.748 24.956 20.787 1.00127.42 1SG 515 ATOM 515 CB ALA 66 51.022 23.874 19.966 1.00127.42 1SG 516 ATOM 516 C ALA 66 52.885 25.514 19.983 1.00127.42 1SG 517 ATOM 517 O ALA 66 54.032 25.108 20.159 1.00127.42 1SG 518 ATOM 518 N HIS 67 52.611 26.489 19.095 1.00196.60 1SG 519 ATOM 519 CA HIS 67 53.618 26.923 18.172 1.00196.60 1SG 520 ATOM 520 ND1 HIS 67 56.072 26.463 15.985 1.00196.60 1SG 521 ATOM 521 CG HIS 67 54.703 26.323 15.956 1.00196.60 1SG 522 ATOM 522 CB HIS 67 53.860 25.851 17.098 1.00196.60 1SG 523 ATOM 523 NE2 HIS 67 55.411 27.064 13.948 1.00196.60 1SG 524 ATOM 524 CD2 HIS 67 54.316 26.694 14.706 1.00196.60 1SG 525 ATOM 525 CE1 HIS 67 56.443 26.909 14.758 1.00196.60 1SG 526 ATOM 526 C HIS 67 53.227 28.191 17.457 1.00196.60 1SG 527 ATOM 527 O HIS 67 53.965 29.174 17.479 1.00196.60 1SG 528 ATOM 528 N GLN 68 52.054 28.203 16.790 1.00 99.21 1SG 529 ATOM 529 CA GLN 68 51.683 29.296 15.916 1.00 99.21 1SG 530 ATOM 530 CB GLN 68 50.266 29.146 15.339 1.00 99.21 1SG 531 ATOM 531 CG GLN 68 49.757 30.337 14.531 1.00 99.21 1SG 532 ATOM 532 CD GLN 68 48.261 30.120 14.336 1.00 99.21 1SG 533 ATOM 533 OE1 GLN 68 47.521 31.038 13.986 1.00 99.21 1SG 534 ATOM 534 NE2 GLN 68 47.796 28.867 14.590 1.00 99.21 1SG 535 ATOM 535 C GLN 68 51.589 30.585 16.637 1.00 99.21 1SG 536 ATOM 536 O GLN 68 52.326 31.528 16.354 1.00 99.21 1SG 537 ATOM 537 N GLU 69 50.694 30.642 17.629 1.00125.18 1SG 538 ATOM 538 CA GLU 69 50.501 31.877 18.305 1.00125.18 1SG 539 ATOM 539 CB GLU 69 49.105 31.943 18.948 1.00125.18 1SG 540 ATOM 540 CG GLU 69 47.989 31.832 17.900 1.00125.18 1SG 541 ATOM 541 CD GLU 69 46.639 31.863 18.602 1.00125.18 1SG 542 ATOM 542 OE1 GLU 69 46.603 32.270 19.794 1.00125.18 1SG 543 ATOM 543 OE2 GLU 69 45.625 31.477 17.960 1.00125.18 1SG 544 ATOM 544 C GLU 69 51.547 31.943 19.358 1.00125.18 1SG 545 ATOM 545 O GLU 69 51.268 32.274 20.507 1.00125.18 1SG 546 ATOM 546 N LYS 70 52.798 31.665 18.953 1.00162.28 1SG 547 ATOM 547 CA LYS 70 53.951 31.697 19.800 1.00162.28 1SG 548 ATOM 548 CB LYS 70 54.718 30.366 19.822 1.00162.28 1SG 549 ATOM 549 CG LYS 70 56.034 30.390 20.600 1.00162.28 1SG 550 ATOM 550 CD LYS 70 56.712 29.019 20.636 1.00162.28 1SG 551 ATOM 551 CE LYS 70 58.178 29.060 21.068 1.00162.28 1SG 552 ATOM 552 NZ LYS 70 58.799 27.732 20.858 1.00162.28 1SG 553 ATOM 553 C LYS 70 54.860 32.687 19.167 1.00162.28 1SG 554 ATOM 554 O LYS 70 55.073 33.782 19.684 1.00162.28 1SG 555 ATOM 555 N HIS 71 55.409 32.309 17.997 1.00137.81 1SG 556 ATOM 556 CA HIS 71 56.318 33.169 17.305 1.00137.81 1SG 557 ATOM 557 ND1 HIS 71 57.157 29.987 17.077 1.00137.81 1SG 558 ATOM 558 CG HIS 71 57.810 31.192 16.943 1.00137.81 1SG 559 ATOM 559 CB HIS 71 57.188 32.395 16.307 1.00137.81 1SG 560 ATOM 560 NE2 HIS 71 59.169 29.722 17.982 1.00137.81 1SG 561 ATOM 561 CD2 HIS 71 59.039 31.013 17.500 1.00137.81 1SG 562 ATOM 562 CE1 HIS 71 58.014 29.145 17.704 1.00137.81 1SG 563 ATOM 563 C HIS 71 55.488 34.117 16.509 1.00137.81 1SG 564 ATOM 564 O HIS 71 55.925 34.647 15.489 1.00137.81 1SG 565 ATOM 565 N LEU 72 54.249 34.348 16.971 1.00186.41 1SG 566 ATOM 566 CA LEU 72 53.377 35.288 16.345 1.00186.41 1SG 567 ATOM 567 CB LEU 72 52.150 34.604 15.703 1.00186.41 1SG 568 ATOM 568 CG LEU 72 51.137 35.535 14.999 1.00186.41 1SG 569 ATOM 569 CD2 LEU 72 51.827 36.422 13.951 1.00186.41 1SG 570 ATOM 570 CD1 LEU 72 50.292 36.342 15.999 1.00186.41 1SG 571 ATOM 571 C LEU 72 52.912 36.154 17.461 1.00186.41 1SG 572 ATOM 572 O LEU 72 52.520 37.302 17.260 1.00186.41 1SG 573 ATOM 573 N ALA 73 53.016 35.629 18.696 1.00178.68 1SG 574 ATOM 574 CA ALA 73 52.503 36.380 19.795 1.00178.68 1SG 575 ATOM 575 CB ALA 73 52.236 35.526 21.041 1.00178.68 1SG 576 ATOM 576 C ALA 73 53.485 37.434 20.180 1.00178.68 1SG 577 ATOM 577 O ALA 73 54.295 37.274 21.092 1.00178.68 1SG 578 ATOM 578 N GLU 74 53.395 38.552 19.450 1.00192.05 1SG 579 ATOM 579 CA GLU 74 54.046 39.804 19.673 1.00192.05 1SG 580 ATOM 580 CB GLU 74 55.330 39.967 18.839 1.00192.05 1SG 581 ATOM 581 CG GLU 74 56.243 41.097 19.324 1.00192.05 1SG 582 ATOM 582 CD GLU 74 57.512 41.073 18.480 1.00192.05 1SG 583 ATOM 583 OE1 GLU 74 57.542 40.308 17.479 1.00192.05 1SG 584 ATOM 584 OE2 GLU 74 58.468 41.817 18.826 1.00192.05 1SG 585 ATOM 585 C GLU 74 52.979 40.649 19.090 1.00192.05 1SG 586 ATOM 586 O GLU 74 53.143 41.808 18.712 1.00192.05 1SG 587 ATOM 587 N GLU 75 51.818 39.972 19.062 1.00 94.26 1SG 588 ATOM 588 CA GLU 75 50.549 40.297 18.501 1.00 94.26 1SG 589 ATOM 589 CB GLU 75 49.595 39.095 18.603 1.00 94.26 1SG 590 ATOM 590 CG GLU 75 48.353 39.171 17.718 1.00 94.26 1SG 591 ATOM 591 CD GLU 75 47.726 37.782 17.728 1.00 94.26 1SG 592 ATOM 592 OE1 GLU 75 48.238 36.912 18.483 1.00 94.26 1SG 593 ATOM 593 OE2 GLU 75 46.736 37.569 16.979 1.00 94.26 1SG 594 ATOM 594 C GLU 75 49.950 41.454 19.217 1.00 94.26 1SG 595 ATOM 595 O GLU 75 49.221 42.234 18.613 1.00 94.26 1SG 596 ATOM 596 N ALA 76 50.221 41.602 20.525 1.00 19.86 1SG 597 ATOM 597 CA ALA 76 49.587 42.672 21.236 1.00 19.86 1SG 598 ATOM 598 CB ALA 76 50.011 42.738 22.713 1.00 19.86 1SG 599 ATOM 599 C ALA 76 49.974 43.968 20.598 1.00 19.86 1SG 600 ATOM 600 O ALA 76 49.125 44.824 20.358 1.00 19.86 1SG 601 ATOM 601 N PHE 77 51.270 44.140 20.281 1.00122.00 1SG 602 ATOM 602 CA PHE 77 51.702 45.366 19.678 1.00122.00 1SG 603 ATOM 603 CB PHE 77 53.230 45.466 19.522 1.00122.00 1SG 604 ATOM 604 CG PHE 77 53.800 45.680 20.882 1.00122.00 1SG 605 ATOM 605 CD1 PHE 77 54.075 44.615 21.709 1.00122.00 1SG 606 ATOM 606 CD2 PHE 77 54.056 46.955 21.330 1.00122.00 1SG 607 ATOM 607 CE1 PHE 77 54.600 44.822 22.963 1.00122.00 1SG 608 ATOM 608 CE2 PHE 77 54.580 47.168 22.583 1.00122.00 1SG 609 ATOM 609 CZ PHE 77 54.853 46.100 23.403 1.00122.00 1SG 610 ATOM 610 C PHE 77 51.090 45.492 18.320 1.00122.00 1SG 611 ATOM 611 O PHE 77 50.607 46.559 17.944 1.00122.00 1SG 612 ATOM 612 N LEU 78 51.079 44.388 17.553 1.00 35.34 1SG 613 ATOM 613 CA LEU 78 50.591 44.421 16.205 1.00 35.34 1SG 614 ATOM 614 CB LEU 78 50.686 43.038 15.530 1.00 35.34 1SG 615 ATOM 615 CG LEU 78 50.182 42.987 14.076 1.00 35.34 1SG 616 ATOM 616 CD2 LEU 78 50.003 41.536 13.600 1.00 35.34 1SG 617 ATOM 617 CD1 LEU 78 51.089 43.802 13.143 1.00 35.34 1SG 618 ATOM 618 C LEU 78 49.147 44.818 16.230 1.00 35.34 1SG 619 ATOM 619 O LEU 78 48.708 45.660 15.448 1.00 35.34 1SG 620 ATOM 620 N ARG 79 48.380 44.227 17.160 1.00110.25 1SG 621 ATOM 621 CA ARG 79 46.968 44.443 17.276 1.00110.25 1SG 622 ATOM 622 CB ARG 79 46.342 43.595 18.395 1.00110.25 1SG 623 ATOM 623 CG ARG 79 44.835 43.795 18.552 1.00110.25 1SG 624 ATOM 624 CD ARG 79 44.277 43.190 19.841 1.00110.25 1SG 625 ATOM 625 NE ARG 79 44.991 43.844 20.974 1.00110.25 1SG 626 ATOM 626 CZ ARG 79 44.573 45.061 21.430 1.00110.25 1SG 627 ATOM 627 NH1 ARG 79 43.507 45.679 20.844 1.00110.25 1SG 628 ATOM 628 NH2 ARG 79 45.227 45.664 22.466 1.00110.25 1SG 629 ATOM 629 C ARG 79 46.694 45.873 17.607 1.00110.25 1SG 630 ATOM 630 O ARG 79 45.808 46.492 17.020 1.00110.25 1SG 631 ATOM 631 N ALA 80 47.462 46.447 18.551 1.00 17.92 1SG 632 ATOM 632 CA ALA 80 47.196 47.793 18.970 1.00 17.92 1SG 633 ATOM 633 CB ALA 80 48.145 48.271 20.082 1.00 17.92 1SG 634 ATOM 634 C ALA 80 47.372 48.703 17.800 1.00 17.92 1SG 635 ATOM 635 O ALA 80 46.567 49.605 17.575 1.00 17.92 1SG 636 ATOM 636 N TYR 81 48.432 48.470 17.009 1.00 91.49 1SG 637 ATOM 637 CA TYR 81 48.720 49.298 15.877 1.00 91.49 1SG 638 ATOM 638 CB TYR 81 50.034 48.872 15.195 1.00 91.49 1SG 639 ATOM 639 CG TYR 81 50.364 49.805 14.080 1.00 91.49 1SG 640 ATOM 640 CD1 TYR 81 50.696 51.116 14.335 1.00 91.49 1SG 641 ATOM 641 CD2 TYR 81 50.385 49.359 12.780 1.00 91.49 1SG 642 ATOM 642 CE1 TYR 81 51.015 51.974 13.308 1.00 91.49 1SG 643 ATOM 643 CE2 TYR 81 50.705 50.209 11.752 1.00 91.49 1SG 644 ATOM 644 CZ TYR 81 51.015 51.521 12.012 1.00 91.49 1SG 645 ATOM 645 OH TYR 81 51.341 52.391 10.951 1.00 91.49 1SG 646 ATOM 646 C TYR 81 47.575 49.141 14.927 1.00 91.49 1SG 647 ATOM 647 O TYR 81 47.102 50.102 14.323 1.00 91.49 1SG 648 ATOM 648 N ALA 82 47.095 47.893 14.808 1.00 41.25 1SG 649 ATOM 649 CA ALA 82 46.039 47.479 13.932 1.00 41.25 1SG 650 ATOM 650 CB ALA 82 45.812 45.970 14.105 1.00 41.25 1SG 651 ATOM 651 C ALA 82 44.752 48.177 14.273 1.00 41.25 1SG 652 ATOM 652 O ALA 82 44.052 48.675 13.393 1.00 41.25 1SG 653 ATOM 653 N LYS 83 44.432 48.249 15.576 1.00 84.10 1SG 654 ATOM 654 CA LYS 83 43.205 48.782 16.105 1.00 84.10 1SG 655 ATOM 655 CB LYS 83 43.146 48.602 17.633 1.00 84.10 1SG 656 ATOM 656 CG LYS 83 41.859 49.080 18.307 1.00 84.10 1SG 657 ATOM 657 CD LYS 83 41.758 48.608 19.760 1.00 84.10 1SG 658 ATOM 658 CE LYS 83 40.488 49.059 20.484 1.00 84.10 1SG 659 ATOM 659 NZ LYS 83 40.497 48.549 21.874 1.00 84.10 1SG 660 ATOM 660 C LYS 83 43.101 50.248 15.818 1.00 84.10 1SG 661 ATOM 661 O LYS 83 42.008 50.781 15.633 1.00 84.10 1SG 662 ATOM 662 N ASP 84 44.255 50.930 15.753 1.00 83.76 1SG 663 ATOM 663 CA ASP 84 44.340 52.361 15.686 1.00 83.76 1SG 664 ATOM 664 CB ASP 84 45.806 52.830 15.620 1.00 83.76 1SG 665 ATOM 665 CG ASP 84 45.871 54.317 15.937 1.00 83.76 1SG 666 ATOM 666 OD1 ASP 84 44.793 54.927 16.162 1.00 83.76 1SG 667 ATOM 667 OD2 ASP 84 47.008 54.860 15.970 1.00 83.76 1SG 668 ATOM 668 C ASP 84 43.623 52.941 14.499 1.00 83.76 1SG 669 ATOM 669 O ASP 84 42.996 53.991 14.628 1.00 83.76 1SG 670 ATOM 670 N GLU 85 43.663 52.282 13.325 1.00 96.59 1SG 671 ATOM 671 CA GLU 85 43.144 52.872 12.115 1.00 96.59 1SG 672 ATOM 672 CB GLU 85 43.185 51.907 10.918 1.00 96.59 1SG 673 ATOM 673 CG GLU 85 42.836 52.563 9.582 1.00 96.59 1SG 674 ATOM 674 CD GLU 85 42.939 51.494 8.504 1.00 96.59 1SG 675 ATOM 675 OE1 GLU 85 43.319 50.343 8.847 1.00 96.59 1SG 676 ATOM 676 OE2 GLU 85 42.642 51.815 7.322 1.00 96.59 1SG 677 ATOM 677 C GLU 85 41.736 53.375 12.270 1.00 96.59 1SG 678 ATOM 678 O GLU 85 40.812 52.667 12.671 1.00 96.59 1SG 679 ATOM 679 N PRO 86 41.607 54.642 11.953 1.00103.72 1SG 680 ATOM 680 CA PRO 86 40.322 55.304 11.982 1.00103.72 1SG 681 ATOM 681 CD PRO 86 42.689 55.555 12.298 1.00103.72 1SG 682 ATOM 682 CB PRO 86 40.616 56.794 12.159 1.00103.72 1SG 683 ATOM 683 CG PRO 86 42.009 56.833 12.808 1.00103.72 1SG 684 ATOM 684 C PRO 86 39.573 55.038 10.710 1.00103.72 1SG 685 ATOM 685 O PRO 86 40.209 54.675 9.722 1.00103.72 1SG 686 ATOM 686 N LEU 87 38.230 55.193 10.695 1.00344.16 1SG 687 ATOM 687 CA LEU 87 37.550 55.005 9.442 1.00344.16 1SG 688 ATOM 688 CB LEU 87 37.171 53.549 9.151 1.00344.16 1SG 689 ATOM 689 CG LEU 87 36.557 53.373 7.754 1.00344.16 1SG 690 ATOM 690 CD2 LEU 87 35.850 52.017 7.612 1.00344.16 1SG 691 ATOM 691 CD1 LEU 87 37.607 53.630 6.661 1.00344.16 1SG 692 ATOM 692 C LEU 87 36.269 55.791 9.440 1.00344.16 1SG 693 ATOM 693 O LEU 87 35.618 55.934 10.474 1.00344.16 1SG 694 ATOM 694 N TYR 88 35.888 56.338 8.260 1.00334.28 1SG 695 ATOM 695 CA TYR 88 34.664 57.084 8.109 1.00334.28 1SG 696 ATOM 696 CB TYR 88 34.877 58.598 8.275 1.00334.28 1SG 697 ATOM 697 CG TYR 88 33.560 59.295 8.297 1.00334.28 1SG 698 ATOM 698 CD1 TYR 88 32.820 59.340 9.455 1.00334.28 1SG 699 ATOM 699 CD2 TYR 88 33.075 59.919 7.171 1.00334.28 1SG 700 ATOM 700 CE1 TYR 88 31.609 59.990 9.490 1.00334.28 1SG 701 ATOM 701 CE2 TYR 88 31.864 60.570 7.200 1.00334.28 1SG 702 ATOM 702 CZ TYR 88 31.129 60.606 8.360 1.00334.28 1SG 703 ATOM 703 OH TYR 88 29.886 61.275 8.391 1.00334.28 1SG 704 ATOM 704 C TYR 88 34.160 56.834 6.708 1.00334.28 1SG 705 ATOM 705 O TYR 88 34.892 56.292 5.881 1.00334.28 1SG 706 ATOM 706 N ALA 89 32.886 57.198 6.408 1.00311.15 1SG 707 ATOM 707 CA ALA 89 32.351 57.000 5.078 1.00311.15 1SG 708 ATOM 708 CB ALA 89 32.385 55.531 4.625 1.00311.15 1SG 709 ATOM 709 C ALA 89 30.909 57.449 5.054 1.00311.15 1SG 710 ATOM 710 O ALA 89 30.401 57.982 6.035 1.00311.15 1SG 711 ATOM 711 N TRP 90 30.205 57.340 3.903 1.00379.94 1SG 712 ATOM 712 CA TRP 90 28.797 57.644 3.978 1.00379.94 1SG 713 ATOM 713 CB TRP 90 28.445 59.110 4.265 1.00379.94 1SG 714 ATOM 714 CG TRP 90 26.950 59.317 4.312 1.00379.94 1SG 715 ATOM 715 CD2 TRP 90 26.113 59.009 5.440 1.00379.94 1SG 716 ATOM 716 CD1 TRP 90 26.121 59.769 3.329 1.00379.94 1SG 717 ATOM 717 NE1 TRP 90 24.820 59.766 3.772 1.00379.94 1SG 718 ATOM 718 CE2 TRP 90 24.801 59.300 5.070 1.00379.94 1SG 719 ATOM 719 CE3 TRP 90 26.411 58.519 6.679 1.00379.94 1SG 720 ATOM 720 CZ2 TRP 90 23.763 59.105 5.936 1.00379.94 1SG 721 ATOM 721 CZ3 TRP 90 25.362 58.328 7.552 1.00379.94 1SG 722 ATOM 722 CH2 TRP 90 24.063 58.616 7.188 1.00379.94 1SG 723 ATOM 723 C TRP 90 28.074 57.261 2.722 1.00379.94 1SG 724 ATOM 724 O TRP 90 28.635 57.329 1.631 1.00379.94 1SG 725 ATOM 725 N VAL 91 26.790 56.863 2.916 1.00124.12 1SG 726 ATOM 726 CA VAL 91 25.719 56.409 2.055 1.00124.12 1SG 727 ATOM 727 CB VAL 91 25.997 55.276 1.073 1.00124.12 1SG 728 ATOM 728 CG1 VAL 91 24.717 54.975 0.260 1.00124.12 1SG 729 ATOM 729 CG2 VAL 91 27.114 55.677 0.105 1.00124.12 1SG 730 ATOM 730 C VAL 91 24.713 55.928 3.081 1.00124.12 1SG 731 ATOM 731 O VAL 91 24.364 56.692 3.981 1.00124.12 1SG 732 ATOM 732 N LEU 92 24.187 54.680 2.986 1.00223.46 1SG 733 ATOM 733 CA LEU 92 23.247 54.265 3.993 1.00223.46 1SG 734 ATOM 734 CB LEU 92 21.794 54.299 3.481 1.00223.46 1SG 735 ATOM 735 CG LEU 92 21.362 55.632 2.836 1.00223.46 1SG 736 ATOM 736 CD2 LEU 92 22.087 55.871 1.501 1.00223.46 1SG 737 ATOM 737 CD1 LEU 92 21.482 56.807 3.818 1.00223.46 1SG 738 ATOM 738 C LEU 92 23.481 52.822 4.380 1.00223.46 1SG 739 ATOM 739 O LEU 92 22.644 51.977 4.069 1.00223.46 1SG 740 ATOM 740 N GLU 93 24.578 52.490 5.100 1.00284.50 1SG 741 ATOM 741 CA GLU 93 24.824 51.133 5.551 1.00284.50 1SG 742 ATOM 742 CB GLU 93 25.163 50.092 4.459 1.00284.50 1SG 743 ATOM 743 CG GLU 93 23.963 49.465 3.736 1.00284.50 1SG 744 ATOM 744 CD GLU 93 23.755 50.139 2.386 1.00284.50 1SG 745 ATOM 745 OE1 GLU 93 24.493 51.114 2.089 1.00284.50 1SG 746 ATOM 746 OE2 GLU 93 22.844 49.690 1.639 1.00284.50 1SG 747 ATOM 747 C GLU 93 26.009 51.157 6.467 1.00284.50 1SG 748 ATOM 748 O GLU 93 26.197 52.116 7.209 1.00284.50 1SG 749 ATOM 749 N ASN 94 26.753 50.027 6.525 1.00231.52 1SG 750 ATOM 750 CA ASN 94 28.046 49.892 7.149 1.00231.52 1SG 751 ATOM 751 CB ASN 94 28.901 51.162 7.205 1.00231.52 1SG 752 ATOM 752 CG ASN 94 30.331 50.667 7.102 1.00231.52 1SG 753 ATOM 753 OD1 ASN 94 31.306 51.351 7.410 1.00231.52 1SG 754 ATOM 754 ND2 ASN 94 30.453 49.407 6.613 1.00231.52 1SG 755 ATOM 755 C ASN 94 27.964 49.276 8.511 1.00231.52 1SG 756 ATOM 756 O ASN 94 26.911 48.807 8.943 1.00231.52 1SG 757 ATOM 757 N ALA 95 29.116 49.257 9.218 1.00138.52 1SG 758 ATOM 758 CA ALA 95 29.249 48.641 10.504 1.00138.52 1SG 759 ATOM 759 CB ALA 95 29.855 47.225 10.473 1.00138.52 1SG 760 ATOM 760 C ALA 95 30.122 49.509 11.336 1.00138.52 1SG 761 ATOM 761 O ALA 95 29.742 50.622 11.691 1.00138.52 1SG 762 ATOM 762 N PHE 96 31.257 48.929 11.759 1.00264.13 1SG 763 ATOM 763 CA PHE 96 32.297 49.481 12.573 1.00264.13 1SG 764 ATOM 764 CB PHE 96 32.044 50.899 13.129 1.00264.13 1SG 765 ATOM 765 CG PHE 96 32.564 51.889 12.135 1.00264.13 1SG 766 ATOM 766 CD1 PHE 96 32.567 51.615 10.785 1.00264.13 1SG 767 ATOM 767 CD2 PHE 96 32.994 53.130 12.552 1.00264.13 1SG 768 ATOM 768 CE1 PHE 96 33.038 52.538 9.878 1.00264.13 1SG 769 ATOM 769 CE2 PHE 96 33.460 54.055 11.646 1.00264.13 1SG 770 ATOM 770 CZ PHE 96 33.490 53.761 10.307 1.00264.13 1SG 771 ATOM 771 C PHE 96 32.400 48.508 13.674 1.00264.13 1SG 772 ATOM 772 O PHE 96 31.418 48.223 14.358 1.00264.13 1SG 773 ATOM 773 N ARG 97 33.599 47.944 13.856 1.00132.35 1SG 774 ATOM 774 CA ARG 97 33.690 46.942 14.859 1.00132.35 1SG 775 ATOM 775 CB ARG 97 32.787 45.725 14.575 1.00132.35 1SG 776 ATOM 776 CG ARG 97 32.579 44.841 15.805 1.00132.35 1SG 777 ATOM 777 CD ARG 97 31.637 43.654 15.607 1.00132.35 1SG 778 ATOM 778 NE ARG 97 31.593 42.951 16.919 1.00132.35 1SG 779 ATOM 779 CZ ARG 97 30.505 42.218 17.292 1.00132.35 1SG 780 ATOM 780 NH1 ARG 97 29.451 42.061 16.438 1.00132.35 1SG 781 ATOM 781 NH2 ARG 97 30.473 41.644 18.530 1.00132.35 1SG 782 ATOM 782 C ARG 97 35.108 46.492 14.897 1.00132.35 1SG 783 ATOM 783 O ARG 97 35.998 47.125 14.331 1.00132.35 1SG 784 ATOM 784 N TYR 98 35.341 45.366 15.586 1.00112.40 1SG 785 ATOM 785 CA TYR 98 36.647 44.821 15.757 1.00112.40 1SG 786 ATOM 786 CB TYR 98 37.024 44.674 17.240 1.00112.40 1SG 787 ATOM 787 CG TYR 98 35.761 44.345 17.958 1.00112.40 1SG 788 ATOM 788 CD1 TYR 98 35.278 43.060 18.047 1.00112.40 1SG 789 ATOM 789 CD2 TYR 98 35.049 45.367 18.544 1.00112.40 1SG 790 ATOM 790 CE1 TYR 98 34.101 42.808 18.716 1.00112.40 1SG 791 ATOM 791 CE2 TYR 98 33.875 45.123 19.212 1.00112.40 1SG 792 ATOM 792 CZ TYR 98 33.402 43.838 19.302 1.00112.40 1SG 793 ATOM 793 OH TYR 98 32.196 43.580 19.988 1.00112.40 1SG 794 ATOM 794 C TYR 98 36.722 43.512 15.047 1.00112.40 1SG 795 ATOM 795 O TYR 98 35.727 42.811 14.872 1.00112.40 1SG 796 ATOM 796 N GLU 99 37.947 43.181 14.599 1.00128.57 1SG 797 ATOM 797 CA GLU 99 38.228 42.039 13.785 1.00128.57 1SG 798 ATOM 798 CB GLU 99 39.721 41.873 13.482 1.00128.57 1SG 799 ATOM 799 CG GLU 99 40.568 41.587 14.721 1.00128.57 1SG 800 ATOM 800 CD GLU 99 40.780 42.907 15.441 1.00128.57 1SG 801 ATOM 801 OE1 GLU 99 40.457 43.962 14.833 1.00128.57 1SG 802 ATOM 802 OE2 GLU 99 41.267 42.881 16.602 1.00128.57 1SG 803 ATOM 803 C GLU 99 37.809 40.790 14.477 1.00128.57 1SG 804 ATOM 804 O GLU 99 37.815 40.700 15.704 1.00128.57 1SG 805 ATOM 805 N LYS 100 37.400 39.792 13.668 1.00 71.82 1SG 806 ATOM 806 CA LYS 100 37.013 38.519 14.197 1.00 71.82 1SG 807 ATOM 807 CB LYS 100 35.541 38.161 13.918 1.00 71.82 1SG 808 ATOM 808 CG LYS 100 34.543 39.065 14.644 1.00 71.82 1SG 809 ATOM 809 CD LYS 100 33.116 38.979 14.096 1.00 71.82 1SG 810 ATOM 810 CE LYS 100 32.371 37.702 14.492 1.00 71.82 1SG 811 ATOM 811 NZ LYS 100 31.004 37.718 13.922 1.00 71.82 1SG 812 ATOM 812 C LYS 100 37.859 37.490 13.517 1.00 71.82 1SG 813 ATOM 813 O LYS 100 37.939 37.433 12.291 1.00 71.82 1SG 814 ATOM 814 N PRO 101 38.539 36.710 14.309 1.00 90.77 1SG 815 ATOM 815 CA PRO 101 39.356 35.655 13.772 1.00 90.77 1SG 816 ATOM 816 CD PRO 101 39.073 37.227 15.558 1.00 90.77 1SG 817 ATOM 817 CB PRO 101 40.510 35.462 14.757 1.00 90.77 1SG 818 ATOM 818 CG PRO 101 40.024 36.129 16.054 1.00 90.77 1SG 819 ATOM 819 C PRO 101 38.567 34.397 13.581 1.00 90.77 1SG 820 ATOM 820 O PRO 101 37.524 34.241 14.213 1.00 90.77 1SG 821 ATOM 821 N LEU 102 39.046 33.493 12.700 1.00 50.27 1SG 822 ATOM 822 CA LEU 102 38.439 32.203 12.553 1.00 50.27 1SG 823 ATOM 823 CB LEU 102 37.533 32.047 11.319 1.00 50.27 1SG 824 ATOM 824 CG LEU 102 36.906 30.643 11.208 1.00 50.27 1SG 825 ATOM 825 CD2 LEU 102 36.195 30.452 9.859 1.00 50.27 1SG 826 ATOM 826 CD1 LEU 102 35.991 30.339 12.408 1.00 50.27 1SG 827 ATOM 827 C LEU 102 39.574 31.239 12.403 1.00 50.27 1SG 828 ATOM 828 O LEU 102 40.592 31.571 11.798 1.00 50.27 1SG 829 ATOM 829 N HIS 103 39.446 30.022 12.968 1.00 42.66 1SG 830 ATOM 830 CA HIS 103 40.535 29.094 12.858 1.00 42.66 1SG 831 ATOM 831 ND1 HIS 103 42.736 30.513 14.883 1.00 42.66 1SG 832 ATOM 832 CG HIS 103 41.567 29.811 15.072 1.00 42.66 1SG 833 ATOM 833 CB HIS 103 41.115 28.666 14.216 1.00 42.66 1SG 834 ATOM 834 NE2 HIS 103 41.740 31.405 16.660 1.00 42.66 1SG 835 ATOM 835 CD2 HIS 103 40.971 30.369 16.161 1.00 42.66 1SG 836 ATOM 836 CE1 HIS 103 42.790 31.454 15.860 1.00 42.66 1SG 837 ATOM 837 C HIS 103 40.013 27.839 12.233 1.00 42.66 1SG 838 ATOM 838 O HIS 103 39.000 27.297 12.673 1.00 42.66 1SG 839 ATOM 839 N VAL 104 40.684 27.345 11.171 1.00 44.59 1SG 840 ATOM 840 CA VAL 104 40.240 26.108 10.599 1.00 44.59 1SG 841 ATOM 841 CB VAL 104 39.230 26.280 9.499 1.00 44.59 1SG 842 ATOM 842 CG1 VAL 104 38.905 24.898 8.906 1.00 44.59 1SG 843 ATOM 843 CG2 VAL 104 38.003 27.005 10.079 1.00 44.59 1SG 844 ATOM 844 C VAL 104 41.424 25.390 10.028 1.00 44.59 1SG 845 ATOM 845 O VAL 104 42.401 25.998 9.592 1.00 44.59 1SG 846 ATOM 846 N PRO 105 41.355 24.086 10.082 1.00 74.97 1SG 847 ATOM 847 CA PRO 105 42.389 23.261 9.511 1.00 74.97 1SG 848 ATOM 848 CD PRO 105 40.709 23.438 11.211 1.00 74.97 1SG 849 ATOM 849 CB PRO 105 42.394 21.960 10.317 1.00 74.97 1SG 850 ATOM 850 CG PRO 105 41.038 21.948 11.042 1.00 74.97 1SG 851 ATOM 851 C PRO 105 42.137 23.056 8.049 1.00 74.97 1SG 852 ATOM 852 O PRO 105 40.999 23.229 7.617 1.00 74.97 1SG 853 ATOM 853 N ARG 106 43.177 22.697 7.266 1.00149.75 1SG 854 ATOM 854 CA ARG 106 42.969 22.436 5.870 1.00149.75 1SG 855 ATOM 855 CB ARG 106 44.221 22.524 4.977 1.00149.75 1SG 856 ATOM 856 CG ARG 106 44.860 23.905 4.834 1.00149.75 1SG 857 ATOM 857 CD ARG 106 45.823 24.253 5.966 1.00149.75 1SG 858 ATOM 858 NE ARG 106 45.048 24.762 7.128 1.00149.75 1SG 859 ATOM 859 CZ ARG 106 45.283 24.229 8.359 1.00149.75 1SG 860 ATOM 860 NH1 ARG 106 46.007 23.077 8.469 1.00149.75 1SG 861 ATOM 861 NH2 ARG 106 44.801 24.851 9.472 1.00149.75 1SG 862 ATOM 862 C ARG 106 42.521 21.018 5.761 1.00149.75 1SG 863 ATOM 863 O ARG 106 42.810 20.202 6.633 1.00149.75 1SG 864 ATOM 864 N ARG 107 41.779 20.686 4.686 1.00205.75 1SG 865 ATOM 865 CA ARG 107 41.379 19.322 4.521 1.00205.75 1SG 866 ATOM 866 CB ARG 107 40.080 18.938 5.265 1.00205.75 1SG 867 ATOM 867 CG ARG 107 40.140 19.181 6.772 1.00205.75 1SG 868 ATOM 868 CD ARG 107 41.070 18.225 7.517 1.00205.75 1SG 869 ATOM 869 NE ARG 107 41.015 18.597 8.957 1.00205.75 1SG 870 ATOM 870 CZ ARG 107 41.989 18.161 9.807 1.00205.75 1SG 871 ATOM 871 NH1 ARG 107 42.997 17.370 9.336 1.00205.75 1SG 872 ATOM 872 NH2 ARG 107 41.958 18.520 11.123 1.00205.75 1SG 873 ATOM 873 C ARG 107 41.298 19.030 3.043 1.00205.75 1SG 874 ATOM 874 O ARG 107 42.350 18.784 2.452 1.00205.75 1SG 875 ATOM 875 N PRO 108 40.146 19.015 2.395 1.00 83.99 1SG 876 ATOM 876 CA PRO 108 40.114 18.633 1.008 1.00 83.99 1SG 877 ATOM 877 CD PRO 108 39.089 19.991 2.653 1.00 83.99 1SG 878 ATOM 878 CB PRO 108 38.665 18.803 0.580 1.00 83.99 1SG 879 ATOM 879 CG PRO 108 38.251 20.059 1.364 1.00 83.99 1SG 880 ATOM 880 C PRO 108 40.956 19.607 0.250 1.00 83.99 1SG 881 ATOM 881 O PRO 108 41.074 20.752 0.686 1.00 83.99 1SG 882 ATOM 882 N GLY 109 41.555 19.179 -0.876 1.00 4.56 1SG 883 ATOM 883 CA GLY 109 42.366 20.080 -1.635 1.00 4.56 1SG 884 ATOM 884 C GLY 109 41.827 20.091 -3.060 1.00 4.56 1SG 885 ATOM 885 O GLY 109 41.795 19.000 -3.688 1.00 4.56 1SG 886 ATOM 886 OXT GLY 109 41.444 21.192 -3.541 1.00 4.56 1SG 887 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.532 REMARK SCORE 0.532 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 17 PARENT 1CXC ATOM 1 N MET 1 78.178 18.207 26.601 1.00 45.16 1SG 2 ATOM 2 CA MET 1 78.789 18.794 27.815 1.00 45.16 1SG 3 ATOM 3 CB MET 1 78.969 17.711 28.894 1.00 45.16 1SG 4 ATOM 4 CG MET 1 77.639 17.219 29.474 1.00 45.16 1SG 5 ATOM 5 SD MET 1 77.775 15.936 30.755 1.00 45.16 1SG 6 ATOM 6 CE MET 1 75.981 15.787 30.995 1.00 45.16 1SG 7 ATOM 7 C MET 1 80.113 19.399 27.490 1.00 45.16 1SG 8 ATOM 8 O MET 1 80.371 20.558 27.810 1.00 45.16 1SG 9 ATOM 9 N GLU 2 80.986 18.627 26.820 1.00 30.32 1SG 10 ATOM 10 CA GLU 2 82.275 19.137 26.463 1.00 30.32 1SG 11 ATOM 11 CB GLU 2 83.104 18.133 25.646 1.00 30.32 1SG 12 ATOM 12 CG GLU 2 83.460 16.847 26.390 1.00 30.32 1SG 13 ATOM 13 CD GLU 2 84.113 15.915 25.379 1.00 30.32 1SG 14 ATOM 14 OE1 GLU 2 85.178 16.295 24.823 1.00 30.32 1SG 15 ATOM 15 OE2 GLU 2 83.548 14.814 25.142 1.00 30.32 1SG 16 ATOM 16 C GLU 2 82.041 20.293 25.550 1.00 30.32 1SG 17 ATOM 17 O GLU 2 82.657 21.349 25.687 1.00 30.32 1SG 18 ATOM 18 N ARG 3 81.113 20.106 24.596 1.00176.61 1SG 19 ATOM 19 CA ARG 3 80.811 21.086 23.596 1.00176.61 1SG 20 ATOM 20 CB ARG 3 79.889 20.577 22.477 1.00176.61 1SG 21 ATOM 21 CG ARG 3 79.751 21.607 21.353 1.00176.61 1SG 22 ATOM 22 CD ARG 3 79.102 21.082 20.073 1.00176.61 1SG 23 ATOM 23 NE ARG 3 79.195 22.178 19.067 1.00176.61 1SG 24 ATOM 24 CZ ARG 3 79.502 21.896 17.767 1.00176.61 1SG 25 ATOM 25 NH1 ARG 3 79.713 20.605 17.377 1.00176.61 1SG 26 ATOM 26 NH2 ARG 3 79.599 22.909 16.856 1.00176.61 1SG 27 ATOM 27 C ARG 3 80.184 22.312 24.185 1.00176.61 1SG 28 ATOM 28 O ARG 3 80.433 23.405 23.680 1.00176.61 1SG 29 ATOM 29 N PRO 4 79.391 22.227 25.220 1.00 82.82 1SG 30 ATOM 30 CA PRO 4 78.763 23.427 25.685 1.00 82.82 1SG 31 ATOM 31 CD PRO 4 78.528 21.085 25.459 1.00 82.82 1SG 32 ATOM 32 CB PRO 4 77.698 23.001 26.702 1.00 82.82 1SG 33 ATOM 33 CG PRO 4 77.815 21.465 26.769 1.00 82.82 1SG 34 ATOM 34 C PRO 4 79.742 24.444 26.149 1.00 82.82 1SG 35 ATOM 35 O PRO 4 79.350 25.595 26.329 1.00 82.82 1SG 36 ATOM 36 N LYS 5 81.005 24.062 26.387 1.00 72.07 1SG 37 ATOM 37 CA LYS 5 81.918 25.102 26.730 1.00 72.07 1SG 38 ATOM 38 CB LYS 5 83.348 24.584 26.955 1.00 72.07 1SG 39 ATOM 39 CG LYS 5 84.344 25.681 27.330 1.00 72.07 1SG 40 ATOM 40 CD LYS 5 85.704 25.136 27.765 1.00 72.07 1SG 41 ATOM 41 CE LYS 5 86.753 26.226 27.987 1.00 72.07 1SG 42 ATOM 42 NZ LYS 5 88.055 25.611 28.324 1.00 72.07 1SG 43 ATOM 43 C LYS 5 81.947 26.009 25.538 1.00 72.07 1SG 44 ATOM 44 O LYS 5 81.861 27.227 25.667 1.00 72.07 1SG 45 ATOM 45 N LEU 6 82.098 25.414 24.339 1.00156.21 1SG 46 ATOM 46 CA LEU 6 82.166 26.102 23.078 1.00156.21 1SG 47 ATOM 47 CB LEU 6 82.693 25.191 21.956 1.00156.21 1SG 48 ATOM 48 CG LEU 6 82.772 25.890 20.588 1.00156.21 1SG 49 ATOM 49 CD2 LEU 6 82.988 24.892 19.445 1.00156.21 1SG 50 ATOM 50 CD1 LEU 6 83.830 26.990 20.592 1.00156.21 1SG 51 ATOM 51 C LEU 6 80.869 26.651 22.557 1.00156.21 1SG 52 ATOM 52 O LEU 6 80.802 27.824 22.191 1.00156.21 1SG 53 ATOM 53 N GLY 7 79.781 25.852 22.530 1.00 44.10 1SG 54 ATOM 54 CA GLY 7 78.706 26.369 21.732 1.00 44.10 1SG 55 ATOM 55 C GLY 7 77.356 26.185 22.332 1.00 44.10 1SG 56 ATOM 56 O GLY 7 77.167 25.556 23.371 1.00 44.10 1SG 57 ATOM 57 N LEU 8 76.386 26.776 21.607 1.00 76.31 1SG 58 ATOM 58 CA LEU 8 74.988 26.872 21.899 1.00 76.31 1SG 59 ATOM 59 CB LEU 8 74.550 28.342 22.005 1.00 76.31 1SG 60 ATOM 60 CG LEU 8 73.030 28.579 21.963 1.00 76.31 1SG 61 ATOM 61 CD2 LEU 8 72.707 30.077 21.836 1.00 76.31 1SG 62 ATOM 62 CD1 LEU 8 72.315 27.899 23.135 1.00 76.31 1SG 63 ATOM 63 C LEU 8 74.216 26.339 20.738 1.00 76.31 1SG 64 ATOM 64 O LEU 8 74.721 26.238 19.622 1.00 76.31 1SG 65 ATOM 65 N ILE 9 72.961 25.932 21.004 1.00 62.45 1SG 66 ATOM 66 CA ILE 9 72.054 25.599 19.951 1.00 62.45 1SG 67 ATOM 67 CB ILE 9 71.858 24.120 19.770 1.00 62.45 1SG 68 ATOM 68 CG2 ILE 9 70.849 23.922 18.626 1.00 62.45 1SG 69 ATOM 69 CG1 ILE 9 73.202 23.416 19.531 1.00 62.45 1SG 70 ATOM 70 CD1 ILE 9 73.122 21.890 19.544 1.00 62.45 1SG 71 ATOM 71 C ILE 9 70.760 26.248 20.350 1.00 62.45 1SG 72 ATOM 72 O ILE 9 70.442 26.288 21.538 1.00 62.45 1SG 73 ATOM 73 N VAL 10 69.981 26.807 19.397 1.00 60.18 1SG 74 ATOM 74 CA VAL 10 68.761 27.455 19.810 1.00 60.18 1SG 75 ATOM 75 CB VAL 10 68.952 28.921 20.070 1.00 60.18 1SG 76 ATOM 76 CG1 VAL 10 67.590 29.570 20.382 1.00 60.18 1SG 77 ATOM 77 CG2 VAL 10 70.013 29.084 21.168 1.00 60.18 1SG 78 ATOM 78 C VAL 10 67.757 27.365 18.700 1.00 60.18 1SG 79 ATOM 79 O VAL 10 68.119 27.333 17.526 1.00 60.18 1SG 80 ATOM 80 N ARG 11 66.452 27.298 19.041 1.00142.48 1SG 81 ATOM 81 CA ARG 11 65.490 27.338 17.978 1.00142.48 1SG 82 ATOM 82 CB ARG 11 64.190 26.558 18.246 1.00142.48 1SG 83 ATOM 83 CG ARG 11 63.387 26.966 19.478 1.00142.48 1SG 84 ATOM 84 CD ARG 11 62.358 25.890 19.828 1.00142.48 1SG 85 ATOM 85 NE ARG 11 61.478 26.394 20.915 1.00142.48 1SG 86 ATOM 86 CZ ARG 11 60.320 25.723 21.175 1.00142.48 1SG 87 ATOM 87 NH1 ARG 11 60.021 24.593 20.469 1.00142.48 1SG 88 ATOM 88 NH2 ARG 11 59.456 26.180 22.126 1.00142.48 1SG 89 ATOM 89 C ARG 11 65.222 28.785 17.714 1.00142.48 1SG 90 ATOM 90 O ARG 11 65.071 29.582 18.640 1.00142.48 1SG 91 ATOM 91 N GLU 12 65.167 29.152 16.419 1.00116.96 1SG 92 ATOM 92 CA GLU 12 65.201 30.538 16.058 1.00116.96 1SG 93 ATOM 93 CB GLU 12 65.240 30.597 14.517 1.00116.96 1SG 94 ATOM 94 CG GLU 12 66.383 29.800 13.889 1.00116.96 1SG 95 ATOM 95 CD GLU 12 65.946 29.421 12.478 1.00116.96 1SG 96 ATOM 96 OE1 GLU 12 64.793 29.766 12.105 1.00116.96 1SG 97 ATOM 97 OE2 GLU 12 66.751 28.771 11.760 1.00116.96 1SG 98 ATOM 98 C GLU 12 64.058 31.344 16.668 1.00116.96 1SG 99 ATOM 99 O GLU 12 64.273 31.834 17.776 1.00116.96 1SG 100 ATOM 100 N PRO 13 62.858 31.550 16.135 1.00139.28 1SG 101 ATOM 101 CA PRO 13 61.936 32.196 17.038 1.00139.28 1SG 102 ATOM 102 CD PRO 13 62.811 32.271 14.860 1.00139.28 1SG 103 ATOM 103 CB PRO 13 61.679 33.598 16.501 1.00139.28 1SG 104 ATOM 104 CG PRO 13 61.769 33.388 14.992 1.00139.28 1SG 105 ATOM 105 C PRO 13 60.666 31.417 17.065 1.00139.28 1SG 106 ATOM 106 O PRO 13 60.523 30.473 16.289 1.00139.28 1SG 107 ATOM 107 N TYR 14 59.727 31.805 17.946 1.00334.64 1SG 108 ATOM 108 CA TYR 14 58.384 31.326 17.833 1.00334.64 1SG 109 ATOM 109 CB TYR 14 57.986 30.144 18.729 1.00334.64 1SG 110 ATOM 110 CG TYR 14 56.560 29.889 18.375 1.00334.64 1SG 111 ATOM 111 CD1 TYR 14 56.248 29.242 17.203 1.00334.64 1SG 112 ATOM 112 CD2 TYR 14 55.535 30.299 19.200 1.00334.64 1SG 113 ATOM 113 CE1 TYR 14 54.940 29.003 16.853 1.00334.64 1SG 114 ATOM 114 CE2 TYR 14 54.224 30.063 18.856 1.00334.64 1SG 115 ATOM 115 CZ TYR 14 53.924 29.416 17.681 1.00334.64 1SG 116 ATOM 116 OH TYR 14 52.580 29.174 17.326 1.00334.64 1SG 117 ATOM 117 C TYR 14 57.547 32.497 18.234 1.00334.64 1SG 118 ATOM 118 O TYR 14 58.001 33.336 19.010 1.00334.64 1SG 119 ATOM 119 N ALA 15 56.317 32.624 17.702 1.00294.04 1SG 120 ATOM 120 CA ALA 15 55.560 33.761 18.133 1.00294.04 1SG 121 ATOM 121 CB ALA 15 55.796 35.019 17.279 1.00294.04 1SG 122 ATOM 122 C ALA 15 54.103 33.445 18.061 1.00294.04 1SG 123 ATOM 123 O ALA 15 53.655 32.657 17.229 1.00294.04 1SG 124 ATOM 124 N SER 16 53.333 34.065 18.976 1.00224.22 1SG 125 ATOM 125 CA SER 16 51.905 33.950 19.026 1.00224.22 1SG 126 ATOM 126 CB SER 16 51.399 32.808 19.925 1.00224.22 1SG 127 ATOM 127 OG SER 16 49.978 32.771 19.913 1.00224.22 1SG 128 ATOM 128 C SER 16 51.453 35.233 19.637 1.00224.22 1SG 129 ATOM 129 O SER 16 52.272 35.982 20.168 1.00224.22 1SG 130 ATOM 130 N LEU 17 50.142 35.551 19.587 1.00216.69 1SG 131 ATOM 131 CA LEU 17 49.776 36.799 20.191 1.00216.69 1SG 132 ATOM 132 CB LEU 17 48.500 37.420 19.597 1.00216.69 1SG 133 ATOM 133 CG LEU 17 48.225 38.842 20.119 1.00216.69 1SG 134 ATOM 134 CD2 LEU 17 46.839 39.342 19.685 1.00216.69 1SG 135 ATOM 135 CD1 LEU 17 49.354 39.806 19.714 1.00216.69 1SG 136 ATOM 136 C LEU 17 49.554 36.510 21.643 1.00216.69 1SG 137 ATOM 137 O LEU 17 48.508 36.804 22.219 1.00216.69 1SG 138 ATOM 138 N ILE 18 50.605 35.914 22.233 1.00 88.15 1SG 139 ATOM 139 CA ILE 18 50.830 35.485 23.581 1.00 88.15 1SG 140 ATOM 140 CB ILE 18 50.391 34.058 23.846 1.00 88.15 1SG 141 ATOM 141 CG2 ILE 18 50.626 33.713 25.332 1.00 88.15 1SG 142 ATOM 142 CG1 ILE 18 48.913 33.865 23.469 1.00 88.15 1SG 143 ATOM 143 CD1 ILE 18 48.492 32.394 23.426 1.00 88.15 1SG 144 ATOM 144 C ILE 18 52.329 35.531 23.599 1.00 88.15 1SG 145 ATOM 145 O ILE 18 52.914 36.570 23.294 1.00 88.15 1SG 146 ATOM 146 N VAL 19 53.000 34.442 24.027 1.00118.41 1SG 147 ATOM 147 CA VAL 19 54.416 34.380 23.836 1.00118.41 1SG 148 ATOM 148 CB VAL 19 55.150 35.425 24.605 1.00118.41 1SG 149 ATOM 149 CG1 VAL 19 54.793 35.306 26.094 1.00118.41 1SG 150 ATOM 150 CG2 VAL 19 56.637 35.238 24.295 1.00118.41 1SG 151 ATOM 151 C VAL 19 54.926 33.018 24.224 1.00118.41 1SG 152 ATOM 152 O VAL 19 54.753 32.579 25.360 1.00118.41 1SG 153 ATOM 153 N ASP 20 55.551 32.299 23.261 1.00 75.93 1SG 154 ATOM 154 CA ASP 20 56.107 30.993 23.518 1.00 75.93 1SG 155 ATOM 155 CB ASP 20 56.465 30.264 22.214 1.00 75.93 1SG 156 ATOM 156 CG ASP 20 57.321 31.224 21.407 1.00 75.93 1SG 157 ATOM 157 OD1 ASP 20 56.742 32.230 20.916 1.00 75.93 1SG 158 ATOM 158 OD2 ASP 20 58.549 30.979 21.279 1.00 75.93 1SG 159 ATOM 159 C ASP 20 57.324 31.037 24.409 1.00 75.93 1SG 160 ATOM 160 O ASP 20 57.294 30.505 25.517 1.00 75.93 1SG 161 ATOM 161 N GLY 21 58.421 31.693 23.961 1.00 57.40 1SG 162 ATOM 162 CA GLY 21 59.614 31.833 24.760 1.00 57.40 1SG 163 ATOM 163 C GLY 21 60.032 30.514 25.351 1.00 57.40 1SG 164 ATOM 164 O GLY 21 59.961 30.346 26.566 1.00 57.40 1SG 165 ATOM 165 N ARG 22 60.477 29.531 24.537 1.00216.03 1SG 166 ATOM 166 CA ARG 22 60.809 28.275 25.160 1.00216.03 1SG 167 ATOM 167 CB ARG 22 59.829 27.143 24.799 1.00216.03 1SG 168 ATOM 168 CG ARG 22 60.288 25.761 25.274 1.00216.03 1SG 169 ATOM 169 CD ARG 22 61.208 25.069 24.263 1.00216.03 1SG 170 ATOM 170 NE ARG 22 61.879 23.924 24.940 1.00216.03 1SG 171 ATOM 171 CZ ARG 22 61.289 22.694 24.973 1.00216.03 1SG 172 ATOM 172 NH1 ARG 22 60.049 22.520 24.431 1.00216.03 1SG 173 ATOM 173 NH2 ARG 22 61.943 21.640 25.541 1.00216.03 1SG 174 ATOM 174 C ARG 22 62.183 27.798 24.793 1.00216.03 1SG 175 ATOM 175 O ARG 22 62.733 28.135 23.745 1.00216.03 1SG 176 ATOM 176 N LYS 23 62.782 27.002 25.712 1.00229.87 1SG 177 ATOM 177 CA LYS 23 64.035 26.345 25.483 1.00229.87 1SG 178 ATOM 178 CB LYS 23 65.298 27.216 25.612 1.00229.87 1SG 179 ATOM 179 CG LYS 23 65.516 28.133 24.407 1.00229.87 1SG 180 ATOM 180 CD LYS 23 66.766 29.005 24.519 1.00229.87 1SG 181 ATOM 181 CE LYS 23 68.008 28.318 23.945 1.00229.87 1SG 182 ATOM 182 NZ LYS 23 69.158 29.248 23.941 1.00229.87 1SG 183 ATOM 183 C LYS 23 64.173 25.195 26.440 1.00229.87 1SG 184 ATOM 184 O LYS 23 63.215 24.769 27.082 1.00229.87 1SG 185 ATOM 185 N VAL 24 65.411 24.668 26.523 1.00 87.23 1SG 186 ATOM 186 CA VAL 24 65.858 23.538 27.299 1.00 87.23 1SG 187 ATOM 187 CB VAL 24 66.358 22.410 26.422 1.00 87.23 1SG 188 ATOM 188 CG1 VAL 24 66.795 21.210 27.288 1.00 87.23 1SG 189 ATOM 189 CG2 VAL 24 65.256 22.066 25.406 1.00 87.23 1SG 190 ATOM 190 C VAL 24 66.997 24.084 28.138 1.00 87.23 1SG 191 ATOM 191 O VAL 24 66.780 25.049 28.869 1.00 87.23 1SG 192 ATOM 192 N TRP 25 68.218 23.486 28.093 1.00 93.94 1SG 193 ATOM 193 CA TRP 25 69.342 24.005 28.844 1.00 93.94 1SG 194 ATOM 194 CB TRP 25 70.707 23.412 28.408 1.00 93.94 1SG 195 ATOM 195 CG TRP 25 71.005 21.936 28.587 1.00 93.94 1SG 196 ATOM 196 CD2 TRP 25 72.249 21.347 28.165 1.00 93.94 1SG 197 ATOM 197 CD1 TRP 25 70.263 20.923 29.120 1.00 93.94 1SG 198 ATOM 198 NE1 TRP 25 70.968 19.740 29.055 1.00 93.94 1SG 199 ATOM 199 CE2 TRP 25 72.193 19.988 28.471 1.00 93.94 1SG 200 ATOM 200 CE3 TRP 25 73.349 21.897 27.571 1.00 93.94 1SG 201 ATOM 201 CZ2 TRP 25 73.240 19.154 28.186 1.00 93.94 1SG 202 ATOM 202 CZ3 TRP 25 74.401 21.055 27.286 1.00 93.94 1SG 203 ATOM 203 CH2 TRP 25 74.350 19.710 27.587 1.00 93.94 1SG 204 ATOM 204 C TRP 25 69.439 25.405 28.341 1.00 93.94 1SG 205 ATOM 205 O TRP 25 69.422 26.391 29.075 1.00 93.94 1SG 206 ATOM 206 N GLU 26 69.520 25.436 27.008 1.00156.93 1SG 207 ATOM 207 CA GLU 26 69.468 26.468 26.028 1.00156.93 1SG 208 ATOM 208 CB GLU 26 70.836 26.778 25.419 1.00156.93 1SG 209 ATOM 209 CG GLU 26 71.850 27.209 26.481 1.00156.93 1SG 210 ATOM 210 CD GLU 26 71.149 28.095 27.495 1.00156.93 1SG 211 ATOM 211 OE1 GLU 26 70.319 28.945 27.078 1.00156.93 1SG 212 ATOM 212 OE2 GLU 26 71.441 27.921 28.707 1.00156.93 1SG 213 ATOM 213 C GLU 26 68.697 25.597 25.123 1.00156.93 1SG 214 ATOM 214 O GLU 26 67.829 24.923 25.662 1.00156.93 1SG 215 ATOM 215 N ILE 27 68.850 25.562 23.790 1.00116.13 1SG 216 ATOM 216 CA ILE 27 68.196 24.356 23.361 1.00116.13 1SG 217 ATOM 217 CB ILE 27 68.000 24.144 21.884 1.00116.13 1SG 218 ATOM 218 CG2 ILE 27 67.274 25.393 21.356 1.00116.13 1SG 219 ATOM 219 CG1 ILE 27 69.291 23.835 21.134 1.00116.13 1SG 220 ATOM 220 CD1 ILE 27 69.797 22.395 21.231 1.00116.13 1SG 221 ATOM 221 C ILE 27 69.110 23.308 23.935 1.00116.13 1SG 222 ATOM 222 O ILE 27 68.673 22.299 24.486 1.00116.13 1SG 223 ATOM 223 N ARG 28 70.429 23.580 23.834 1.00118.17 1SG 224 ATOM 224 CA ARG 28 71.443 22.798 24.479 1.00118.17 1SG 225 ATOM 225 CB ARG 28 71.822 21.547 23.672 1.00118.17 1SG 226 ATOM 226 CG ARG 28 72.899 20.684 24.325 1.00118.17 1SG 227 ATOM 227 CD ARG 28 73.411 19.574 23.405 1.00118.17 1SG 228 ATOM 228 NE ARG 28 74.442 18.809 24.159 1.00118.17 1SG 229 ATOM 229 CZ ARG 28 75.243 17.917 23.507 1.00118.17 1SG 230 ATOM 230 NH1 ARG 28 75.110 17.744 22.159 1.00118.17 1SG 231 ATOM 231 NH2 ARG 28 76.179 17.204 24.198 1.00118.17 1SG 232 ATOM 232 C ARG 28 72.652 23.682 24.543 1.00118.17 1SG 233 ATOM 233 O ARG 28 73.240 23.963 23.499 1.00118.17 1SG 234 ATOM 234 N ARG 29 73.062 24.145 25.753 1.00187.11 1SG 235 ATOM 235 CA ARG 29 74.199 25.034 25.805 1.00187.11 1SG 236 ATOM 236 CB ARG 29 74.049 26.202 24.822 1.00187.11 1SG 237 ATOM 237 CG ARG 29 75.169 27.229 24.826 1.00187.11 1SG 238 ATOM 238 CD ARG 29 74.625 28.643 25.026 1.00187.11 1SG 239 ATOM 239 NE ARG 29 75.575 29.581 24.371 1.00187.11 1SG 240 ATOM 240 CZ ARG 29 75.155 30.817 23.979 1.00187.11 1SG 241 ATOM 241 NH1 ARG 29 73.891 31.239 24.268 1.00187.11 1SG 242 ATOM 242 NH2 ARG 29 75.992 31.626 23.270 1.00187.11 1SG 243 ATOM 243 C ARG 29 74.328 25.631 27.177 1.00187.11 1SG 244 ATOM 244 O ARG 29 73.413 25.527 27.992 1.00187.11 1SG 245 ATOM 245 N ARG 30 75.488 26.262 27.484 1.00144.91 1SG 246 ATOM 246 CA ARG 30 75.622 26.907 28.764 1.00144.91 1SG 247 ATOM 247 CB ARG 30 76.704 26.273 29.659 1.00144.91 1SG 248 ATOM 248 CG ARG 30 76.733 26.829 31.087 1.00144.91 1SG 249 ATOM 249 CD ARG 30 77.809 26.190 31.973 1.00144.91 1SG 250 ATOM 250 NE ARG 30 77.688 26.779 33.338 1.00144.91 1SG 251 ATOM 251 CZ ARG 30 78.443 26.288 34.365 1.00144.91 1SG 252 ATOM 252 NH1 ARG 30 79.336 25.282 34.135 1.00144.91 1SG 253 ATOM 253 NH2 ARG 30 78.302 26.801 35.623 1.00144.91 1SG 254 ATOM 254 C ARG 30 76.030 28.337 28.543 1.00144.91 1SG 255 ATOM 255 O ARG 30 77.058 28.782 29.049 1.00144.91 1SG 256 ATOM 256 N LYS 31 75.216 29.092 27.782 1.00103.96 1SG 257 ATOM 257 CA LYS 31 75.425 30.490 27.524 1.00103.96 1SG 258 ATOM 258 CB LYS 31 75.019 31.426 28.676 1.00103.96 1SG 259 ATOM 259 CG LYS 31 75.027 32.899 28.249 1.00103.96 1SG 260 ATOM 260 CD LYS 31 74.284 33.844 29.193 1.00103.96 1SG 261 ATOM 261 CE LYS 31 74.342 35.310 28.753 1.00103.96 1SG 262 ATOM 262 NZ LYS 31 73.567 36.153 29.689 1.00103.96 1SG 263 ATOM 263 C LYS 31 76.849 30.777 27.164 1.00103.96 1SG 264 ATOM 264 O LYS 31 77.436 31.747 27.640 1.00103.96 1SG 265 ATOM 265 N THR 32 77.465 29.956 26.304 1.00129.09 1SG 266 ATOM 266 CA THR 32 78.794 30.312 25.918 1.00129.09 1SG 267 ATOM 267 CB THR 32 79.776 29.191 25.992 1.00129.09 1SG 268 ATOM 268 OG1 THR 32 81.062 29.671 25.629 1.00129.09 1SG 269 ATOM 269 CG2 THR 32 79.319 28.054 25.057 1.00129.09 1SG 270 ATOM 270 C THR 32 78.713 30.767 24.501 1.00129.09 1SG 271 ATOM 271 O THR 32 78.125 30.089 23.662 1.00129.09 1SG 272 ATOM 272 N ARG 33 79.292 31.944 24.198 1.00148.16 1SG 273 ATOM 273 CA ARG 33 79.179 32.443 22.858 1.00148.16 1SG 274 ATOM 274 CB ARG 33 78.938 33.964 22.834 1.00148.16 1SG 275 ATOM 275 CG ARG 33 77.702 34.384 23.635 1.00148.16 1SG 276 ATOM 276 CD ARG 33 76.407 34.419 22.817 1.00148.16 1SG 277 ATOM 277 NE ARG 33 75.290 34.778 23.737 1.00148.16 1SG 278 ATOM 278 CZ ARG 33 74.021 34.939 23.257 1.00148.16 1SG 279 ATOM 279 NH1 ARG 33 73.764 34.833 21.920 1.00148.16 1SG 280 ATOM 280 NH2 ARG 33 73.002 35.197 24.128 1.00148.16 1SG 281 ATOM 281 C ARG 33 80.490 32.214 22.192 1.00148.16 1SG 282 ATOM 282 O ARG 33 80.890 32.977 21.314 1.00148.16 1SG 283 ATOM 283 N HIS 34 81.194 31.139 22.585 1.00132.97 1SG 284 ATOM 284 CA HIS 34 82.472 30.918 21.992 1.00132.97 1SG 285 ATOM 285 ND1 HIS 34 85.441 30.060 23.445 1.00132.97 1SG 286 ATOM 286 CG HIS 34 84.622 29.646 22.417 1.00132.97 1SG 287 ATOM 287 CB HIS 34 83.125 29.624 22.522 1.00132.97 1SG 288 ATOM 288 NE2 HIS 34 86.771 29.601 21.724 1.00132.97 1SG 289 ATOM 289 CD2 HIS 34 85.451 29.363 21.377 1.00132.97 1SG 290 ATOM 290 CE1 HIS 34 86.714 30.016 22.976 1.00132.97 1SG 291 ATOM 291 C HIS 34 82.215 30.708 20.541 1.00132.97 1SG 292 ATOM 292 O HIS 34 82.514 31.571 19.722 1.00132.97 1SG 293 ATOM 293 N ARG 35 81.515 29.600 20.229 1.00176.65 1SG 294 ATOM 294 CA ARG 35 81.233 29.170 18.890 1.00176.65 1SG 295 ATOM 295 CB ARG 35 81.183 27.638 18.778 1.00176.65 1SG 296 ATOM 296 CG ARG 35 81.027 27.102 17.359 1.00176.65 1SG 297 ATOM 297 CD ARG 35 81.004 25.574 17.305 1.00176.65 1SG 298 ATOM 298 NE ARG 35 81.106 25.190 15.873 1.00176.65 1SG 299 ATOM 299 CZ ARG 35 81.916 24.154 15.511 1.00176.65 1SG 300 ATOM 300 NH1 ARG 35 82.643 23.495 16.461 1.00176.65 1SG 301 ATOM 301 NH2 ARG 35 82.007 23.790 14.199 1.00176.65 1SG 302 ATOM 302 C ARG 35 79.891 29.682 18.504 1.00176.65 1SG 303 ATOM 303 O ARG 35 79.145 30.187 19.340 1.00176.65 1SG 304 ATOM 304 N GLY 36 79.569 29.591 17.197 1.00 28.50 1SG 305 ATOM 305 CA GLY 36 78.294 30.033 16.725 1.00 28.50 1SG 306 ATOM 306 C GLY 36 77.305 28.960 17.022 1.00 28.50 1SG 307 ATOM 307 O GLY 36 77.644 27.802 17.269 1.00 28.50 1SG 308 ATOM 308 N PRO 37 76.068 29.360 16.982 1.00 71.88 1SG 309 ATOM 309 CA PRO 37 74.979 28.483 17.271 1.00 71.88 1SG 310 ATOM 310 CD PRO 37 75.649 30.529 16.228 1.00 71.88 1SG 311 ATOM 311 CB PRO 37 73.718 29.322 17.072 1.00 71.88 1SG 312 ATOM 312 CG PRO 37 74.144 30.317 15.980 1.00 71.88 1SG 313 ATOM 313 C PRO 37 75.020 27.310 16.343 1.00 71.88 1SG 314 ATOM 314 O PRO 37 75.263 27.484 15.149 1.00 71.88 1SG 315 ATOM 315 N LEU 38 74.818 26.108 16.906 1.00114.49 1SG 316 ATOM 316 CA LEU 38 74.741 24.852 16.223 1.00114.49 1SG 317 ATOM 317 CB LEU 38 74.875 23.618 17.122 1.00114.49 1SG 318 ATOM 318 CG LEU 38 76.296 23.405 17.666 1.00114.49 1SG 319 ATOM 319 CD2 LEU 38 76.427 22.034 18.345 1.00114.49 1SG 320 ATOM 320 CD1 LEU 38 76.730 24.568 18.567 1.00114.49 1SG 321 ATOM 321 C LEU 38 73.441 24.745 15.505 1.00114.49 1SG 322 ATOM 322 O LEU 38 73.284 23.838 14.691 1.00114.49 1SG 323 ATOM 323 N GLY 39 72.452 25.596 15.866 1.00 66.21 1SG 324 ATOM 324 CA GLY 39 71.141 25.554 15.269 1.00 66.21 1SG 325 ATOM 325 C GLY 39 71.308 25.449 13.784 1.00 66.21 1SG 326 ATOM 326 O GLY 39 72.048 26.208 13.159 1.00 66.21 1SG 327 ATOM 327 N ILE 40 70.576 24.481 13.205 1.00267.65 1SG 328 ATOM 328 CA ILE 40 70.657 24.031 11.845 1.00267.65 1SG 329 ATOM 329 CB ILE 40 69.759 24.834 10.939 1.00267.65 1SG 330 ATOM 330 CG2 ILE 40 70.109 26.324 11.102 1.00267.65 1SG 331 ATOM 331 CG1 ILE 40 69.825 24.323 9.491 1.00267.65 1SG 332 ATOM 332 CD1 ILE 40 68.765 24.946 8.583 1.00267.65 1SG 333 ATOM 333 C ILE 40 72.070 24.139 11.348 1.00267.65 1SG 334 ATOM 334 O ILE 40 72.384 24.937 10.466 1.00267.65 1SG 335 ATOM 335 N VAL 41 72.962 23.288 11.897 1.00145.42 1SG 336 ATOM 336 CA VAL 41 74.308 23.144 11.418 1.00145.42 1SG 337 ATOM 337 CB VAL 41 75.306 22.649 12.431 1.00145.42 1SG 338 ATOM 338 CG1 VAL 41 75.679 23.796 13.386 1.00145.42 1SG 339 ATOM 339 CG2 VAL 41 74.704 21.425 13.143 1.00145.42 1SG 340 ATOM 340 C VAL 41 74.353 22.208 10.259 1.00145.42 1SG 341 ATOM 341 O VAL 41 75.168 22.365 9.352 1.00145.42 1SG 342 ATOM 342 N SER 42 73.465 21.196 10.278 1.00 90.03 1SG 343 ATOM 343 CA SER 42 73.519 20.113 9.340 1.00 90.03 1SG 344 ATOM 344 CB SER 42 72.334 19.141 9.472 1.00 90.03 1SG 345 ATOM 345 OG SER 42 72.448 18.103 8.510 1.00 90.03 1SG 346 ATOM 346 C SER 42 73.525 20.601 7.933 1.00 90.03 1SG 347 ATOM 347 O SER 42 72.524 21.106 7.427 1.00 90.03 1SG 348 ATOM 348 N GLY 43 74.689 20.449 7.270 1.00 44.29 1SG 349 ATOM 349 CA GLY 43 74.819 20.736 5.873 1.00 44.29 1SG 350 ATOM 350 C GLY 43 74.808 22.208 5.682 1.00 44.29 1SG 351 ATOM 351 O GLY 43 75.070 22.699 4.586 1.00 44.29 1SG 352 ATOM 352 N GLY 44 74.538 22.962 6.759 1.00 69.44 1SG 353 ATOM 353 CA GLY 44 74.455 24.371 6.575 1.00 69.44 1SG 354 ATOM 354 C GLY 44 75.813 24.806 6.193 1.00 69.44 1SG 355 ATOM 355 O GLY 44 76.807 24.200 6.592 1.00 69.44 1SG 356 ATOM 356 N ARG 45 75.891 25.872 5.386 1.00116.77 1SG 357 ATOM 357 CA ARG 45 77.198 26.311 5.054 1.00116.77 1SG 358 ATOM 358 CB ARG 45 77.171 27.441 4.011 1.00116.77 1SG 359 ATOM 359 CG ARG 45 78.514 27.749 3.348 1.00116.77 1SG 360 ATOM 360 CD ARG 45 78.422 28.868 2.306 1.00116.77 1SG 361 ATOM 361 NE ARG 45 79.719 28.926 1.573 1.00116.77 1SG 362 ATOM 362 CZ ARG 45 79.805 29.625 0.403 1.00116.77 1SG 363 ATOM 363 NH1 ARG 45 78.705 30.265 -0.091 1.00116.77 1SG 364 ATOM 364 NH2 ARG 45 80.989 29.685 -0.273 1.00116.77 1SG 365 ATOM 365 C ARG 45 77.719 26.854 6.339 1.00116.77 1SG 366 ATOM 366 O ARG 45 77.228 27.869 6.830 1.00116.77 1SG 367 ATOM 367 N LEU 46 78.714 26.177 6.945 1.00179.00 1SG 368 ATOM 368 CA LEU 46 79.254 26.753 8.131 1.00179.00 1SG 369 ATOM 369 CB LEU 46 80.224 25.818 8.898 1.00179.00 1SG 370 ATOM 370 CG LEU 46 81.015 26.505 10.032 1.00179.00 1SG 371 ATOM 371 CD2 LEU 46 82.136 25.606 10.587 1.00179.00 1SG 372 ATOM 372 CD1 LEU 46 80.088 27.050 11.127 1.00179.00 1SG 373 ATOM 373 C LEU 46 79.872 27.986 7.602 1.00179.00 1SG 374 ATOM 374 O LEU 46 80.273 28.017 6.442 1.00179.00 1SG 375 ATOM 375 N ILE 47 79.912 29.045 8.416 1.00217.11 1SG 376 ATOM 376 CA ILE 47 80.238 30.367 7.973 1.00217.11 1SG 377 ATOM 377 CB ILE 47 81.470 30.561 7.110 1.00217.11 1SG 378 ATOM 378 CG2 ILE 47 81.105 30.466 5.614 1.00217.11 1SG 379 ATOM 379 CG1 ILE 47 82.043 31.957 7.412 1.00217.11 1SG 380 ATOM 380 CD1 ILE 47 83.460 32.178 6.883 1.00217.11 1SG 381 ATOM 381 C ILE 47 79.006 30.744 7.224 1.00217.11 1SG 382 ATOM 382 O ILE 47 78.514 30.009 6.367 1.00217.11 1SG 383 ATOM 383 N GLY 48 78.449 31.914 7.540 1.00232.92 1SG 384 ATOM 384 CA GLY 48 77.178 32.226 6.972 1.00232.92 1SG 385 ATOM 385 C GLY 48 76.200 32.267 8.102 1.00232.92 1SG 386 ATOM 386 O GLY 48 75.057 32.682 7.917 1.00232.92 1SG 387 ATOM 387 N GLN 49 76.616 31.835 9.311 1.00 87.91 1SG 388 ATOM 388 CA GLN 49 75.714 31.963 10.417 1.00 87.91 1SG 389 ATOM 389 CB GLN 49 76.285 31.448 11.752 1.00 87.91 1SG 390 ATOM 390 CG GLN 49 75.312 31.590 12.925 1.00 87.91 1SG 391 ATOM 391 CD GLN 49 74.158 30.624 12.701 1.00 87.91 1SG 392 ATOM 392 OE1 GLN 49 74.288 29.641 11.974 1.00 87.91 1SG 393 ATOM 393 NE2 GLN 49 72.991 30.914 13.337 1.00 87.91 1SG 394 ATOM 394 C GLN 49 75.511 33.431 10.521 1.00 87.91 1SG 395 ATOM 395 O GLN 49 76.462 34.208 10.441 1.00 87.91 1SG 396 ATOM 396 N ALA 50 74.251 33.850 10.695 1.00 36.16 1SG 397 ATOM 397 CA ALA 50 73.970 35.248 10.666 1.00 36.16 1SG 398 ATOM 398 CB ALA 50 72.477 35.554 10.870 1.00 36.16 1SG 399 ATOM 399 C ALA 50 74.726 35.922 11.758 1.00 36.16 1SG 400 ATOM 400 O ALA 50 75.315 36.980 11.544 1.00 36.16 1SG 401 ATOM 401 N ASP 51 74.762 35.319 12.959 1.00114.16 1SG 402 ATOM 402 CA ASP 51 75.376 36.032 14.039 1.00114.16 1SG 403 ATOM 403 CB ASP 51 74.443 36.138 15.259 1.00114.16 1SG 404 ATOM 404 CG ASP 51 74.095 34.727 15.727 1.00114.16 1SG 405 ATOM 405 OD1 ASP 51 74.497 33.750 15.040 1.00114.16 1SG 406 ATOM 406 OD2 ASP 51 73.411 34.611 16.778 1.00114.16 1SG 407 ATOM 407 C ASP 51 76.642 35.376 14.501 1.00114.16 1SG 408 ATOM 408 O ASP 51 76.808 35.147 15.698 1.00114.16 1SG 409 ATOM 409 N LEU 52 77.585 35.052 13.593 1.00123.50 1SG 410 ATOM 410 CA LEU 52 78.830 34.559 14.117 1.00123.50 1SG 411 ATOM 411 CB LEU 52 78.980 33.026 14.085 1.00123.50 1SG 412 ATOM 412 CG LEU 52 80.148 32.494 14.946 1.00123.50 1SG 413 ATOM 413 CD2 LEU 52 79.922 32.804 16.435 1.00123.50 1SG 414 ATOM 414 CD1 LEU 52 81.517 32.981 14.453 1.00123.50 1SG 415 ATOM 415 C LEU 52 79.911 35.138 13.256 1.00123.50 1SG 416 ATOM 416 O LEU 52 79.988 34.856 12.062 1.00123.50 1SG 417 ATOM 417 N VAL 53 80.765 35.992 13.847 1.00 43.26 1SG 418 ATOM 418 CA VAL 53 81.816 36.649 13.121 1.00 43.26 1SG 419 ATOM 419 CB VAL 53 82.472 37.718 13.946 1.00 43.26 1SG 420 ATOM 420 CG1 VAL 53 83.586 38.373 13.116 1.00 43.26 1SG 421 ATOM 421 CG2 VAL 53 81.390 38.701 14.424 1.00 43.26 1SG 422 ATOM 422 C VAL 53 82.903 35.703 12.683 1.00 43.26 1SG 423 ATOM 423 O VAL 53 83.274 35.666 11.512 1.00 43.26 1SG 424 ATOM 424 N GLY 54 83.420 34.893 13.629 1.00 41.50 1SG 425 ATOM 425 CA GLY 54 84.597 34.073 13.471 1.00 41.50 1SG 426 ATOM 426 C GLY 54 84.498 32.952 12.473 1.00 41.50 1SG 427 ATOM 427 O GLY 54 85.450 32.681 11.743 1.00 41.50 1SG 428 ATOM 428 N VAL 55 83.342 32.281 12.408 1.00104.87 1SG 429 ATOM 429 CA VAL 55 83.168 31.043 11.700 1.00104.87 1SG 430 ATOM 430 CB VAL 55 81.718 30.712 11.525 1.00104.87 1SG 431 ATOM 431 CG1 VAL 55 81.616 29.495 10.610 1.00104.87 1SG 432 ATOM 432 CG2 VAL 55 81.077 30.510 12.909 1.00104.87 1SG 433 ATOM 433 C VAL 55 83.803 30.996 10.337 1.00104.87 1SG 434 ATOM 434 O VAL 55 83.841 31.985 9.607 1.00104.87 1SG 435 ATOM 435 N GLU 56 84.344 29.795 10.002 1.00244.63 1SG 436 ATOM 436 CA GLU 56 84.941 29.452 8.738 1.00244.63 1SG 437 ATOM 437 CB GLU 56 86.464 29.659 8.753 1.00244.63 1SG 438 ATOM 438 CG GLU 56 86.868 31.133 8.820 1.00244.63 1SG 439 ATOM 439 CD GLU 56 88.276 31.226 9.392 1.00244.63 1SG 440 ATOM 440 OE1 GLU 56 88.492 30.675 10.505 1.00244.63 1SG 441 ATOM 441 OE2 GLU 56 89.146 31.864 8.743 1.00244.63 1SG 442 ATOM 442 C GLU 56 84.696 27.975 8.513 1.00244.63 1SG 443 ATOM 443 O GLU 56 84.560 27.216 9.472 1.00244.63 1SG 444 ATOM 444 N GLY 57 84.614 27.529 7.234 1.00119.61 1SG 445 ATOM 445 CA GLY 57 84.458 26.128 6.892 1.00119.61 1SG 446 ATOM 446 C GLY 57 82.995 25.842 6.751 1.00119.61 1SG 447 ATOM 447 O GLY 57 82.217 26.625 7.272 1.00119.61 1SG 448 ATOM 448 N PRO 58 82.603 24.816 6.007 1.00127.14 1SG 449 ATOM 449 CA PRO 58 81.212 24.390 5.871 1.00127.14 1SG 450 ATOM 450 CD PRO 58 83.333 24.604 4.765 1.00127.14 1SG 451 ATOM 451 CB PRO 58 81.025 23.998 4.407 1.00127.14 1SG 452 ATOM 452 CG PRO 58 82.445 23.688 3.913 1.00127.14 1SG 453 ATOM 453 C PRO 58 80.884 23.250 6.796 1.00127.14 1SG 454 ATOM 454 O PRO 58 81.764 22.820 7.536 1.00127.14 1SG 455 ATOM 455 N PHE 59 79.627 22.744 6.785 1.00118.37 1SG 456 ATOM 456 CA PHE 59 79.329 21.573 7.569 1.00118.37 1SG 457 ATOM 457 CB PHE 59 78.204 21.723 8.600 1.00118.37 1SG 458 ATOM 458 CG PHE 59 78.717 22.418 9.805 1.00118.37 1SG 459 ATOM 459 CD1 PHE 59 79.471 21.734 10.732 1.00118.37 1SG 460 ATOM 460 CD2 PHE 59 78.453 23.744 10.007 1.00118.37 1SG 461 ATOM 461 CE1 PHE 59 79.955 22.350 11.859 1.00118.37 1SG 462 ATOM 462 CE2 PHE 59 78.934 24.359 11.135 1.00118.37 1SG 463 ATOM 463 CZ PHE 59 79.681 23.678 12.065 1.00118.37 1SG 464 ATOM 464 C PHE 59 78.858 20.465 6.685 1.00118.37 1SG 465 ATOM 465 O PHE 59 78.021 20.657 5.804 1.00118.37 1SG 466 ATOM 466 N SER 60 79.403 19.257 6.928 1.00 98.62 1SG 467 ATOM 467 CA SER 60 78.994 18.058 6.258 1.00 98.62 1SG 468 ATOM 468 CB SER 60 79.969 17.577 5.171 1.00 98.62 1SG 469 ATOM 469 OG SER 60 79.470 16.388 4.577 1.00 98.62 1SG 470 ATOM 470 C SER 60 78.965 17.025 7.337 1.00 98.62 1SG 471 ATOM 471 O SER 60 79.639 17.178 8.353 1.00 98.62 1SG 472 ATOM 472 N VAL 61 78.144 15.969 7.188 1.00 35.31 1SG 473 ATOM 473 CA VAL 61 78.104 14.979 8.227 1.00 35.31 1SG 474 ATOM 474 CB VAL 61 77.044 13.941 8.004 1.00 35.31 1SG 475 ATOM 475 CG1 VAL 61 77.145 12.893 9.125 1.00 35.31 1SG 476 ATOM 476 CG2 VAL 61 75.678 14.646 7.940 1.00 35.31 1SG 477 ATOM 477 C VAL 61 79.425 14.280 8.293 1.00 35.31 1SG 478 ATOM 478 O VAL 61 80.048 14.208 9.350 1.00 35.31 1SG 479 ATOM 479 N GLU 62 79.904 13.772 7.141 1.00 20.64 1SG 480 ATOM 480 CA GLU 62 81.137 13.037 7.109 1.00 20.64 1SG 481 ATOM 481 CB GLU 62 81.444 12.442 5.724 1.00 20.64 1SG 482 ATOM 482 CG GLU 62 82.753 11.652 5.676 1.00 20.64 1SG 483 ATOM 483 CD GLU 62 82.925 11.126 4.258 1.00 20.64 1SG 484 ATOM 484 OE1 GLU 62 82.004 11.355 3.429 1.00 20.64 1SG 485 ATOM 485 OE2 GLU 62 83.976 10.488 3.985 1.00 20.64 1SG 486 ATOM 486 C GLU 62 82.249 13.966 7.455 1.00 20.64 1SG 487 ATOM 487 O GLU 62 83.164 13.618 8.199 1.00 20.64 1SG 488 ATOM 488 N GLU 63 82.178 15.194 6.918 1.00 29.06 1SG 489 ATOM 489 CA GLU 63 83.190 16.181 7.132 1.00 29.06 1SG 490 ATOM 490 CB GLU 63 82.928 17.468 6.336 1.00 29.06 1SG 491 ATOM 491 CG GLU 63 83.045 17.254 4.825 1.00 29.06 1SG 492 ATOM 492 CD GLU 63 82.568 18.512 4.114 1.00 29.06 1SG 493 ATOM 493 OE1 GLU 63 82.159 19.475 4.816 1.00 29.06 1SG 494 ATOM 494 OE2 GLU 63 82.598 18.521 2.854 1.00 29.06 1SG 495 ATOM 495 C GLU 63 83.193 16.524 8.583 1.00 29.06 1SG 496 ATOM 496 O GLU 63 84.238 16.817 9.157 1.00 29.06 1SG 497 ATOM 497 N LEU 64 82.006 16.487 9.210 1.00 92.28 1SG 498 ATOM 498 CA LEU 64 81.838 16.872 10.579 1.00 92.28 1SG 499 ATOM 499 CB LEU 64 80.363 16.768 11.028 1.00 92.28 1SG 500 ATOM 500 CG LEU 64 80.063 17.170 12.491 1.00 92.28 1SG 501 ATOM 501 CD2 LEU 64 80.562 18.593 12.783 1.00 92.28 1SG 502 ATOM 502 CD1 LEU 64 80.575 16.137 13.511 1.00 92.28 1SG 503 ATOM 503 C LEU 64 82.662 15.985 11.450 1.00 92.28 1SG 504 ATOM 504 O LEU 64 83.348 16.465 12.351 1.00 92.28 1SG 505 ATOM 505 N LEU 65 82.636 14.660 11.209 1.00116.09 1SG 506 ATOM 506 CA LEU 65 83.367 13.795 12.086 1.00116.09 1SG 507 ATOM 507 CB LEU 65 83.200 12.302 11.767 1.00116.09 1SG 508 ATOM 508 CG LEU 65 84.000 11.395 12.724 1.00116.09 1SG 509 ATOM 509 CD2 LEU 65 83.983 9.932 12.255 1.00116.09 1SG 510 ATOM 510 CD1 LEU 65 83.526 11.558 14.179 1.00116.09 1SG 511 ATOM 511 C LEU 65 84.823 14.114 11.981 1.00116.09 1SG 512 ATOM 512 O LEU 65 85.519 14.203 12.991 1.00116.09 1SG 513 ATOM 513 N ALA 66 85.321 14.295 10.747 1.00 21.08 1SG 514 ATOM 514 CA ALA 66 86.712 14.583 10.553 1.00 21.08 1SG 515 ATOM 515 CB ALA 66 87.097 14.673 9.067 1.00 21.08 1SG 516 ATOM 516 C ALA 66 87.015 15.908 11.177 1.00 21.08 1SG 517 ATOM 517 O ALA 66 88.053 16.090 11.811 1.00 21.08 1SG 518 ATOM 518 N HIS 67 86.089 16.867 11.007 1.00 78.02 1SG 519 ATOM 519 CA HIS 67 86.250 18.212 11.472 1.00 78.02 1SG 520 ATOM 520 ND1 HIS 67 85.681 21.545 10.760 1.00 78.02 1SG 521 ATOM 521 CG HIS 67 85.189 20.524 11.542 1.00 78.02 1SG 522 ATOM 522 CB HIS 67 85.056 19.102 11.083 1.00 78.02 1SG 523 ATOM 523 NE2 HIS 67 85.157 22.447 12.723 1.00 78.02 1SG 524 ATOM 524 CD2 HIS 67 84.875 21.092 12.739 1.00 78.02 1SG 525 ATOM 525 CE1 HIS 67 85.639 22.671 11.514 1.00 78.02 1SG 526 ATOM 526 C HIS 67 86.349 18.233 12.963 1.00 78.02 1SG 527 ATOM 527 O HIS 67 87.198 18.923 13.516 1.00 78.02 1SG 528 ATOM 528 N GLN 68 85.491 17.487 13.679 1.00 84.25 1SG 529 ATOM 529 CA GLN 68 85.551 17.574 15.109 1.00 84.25 1SG 530 ATOM 530 CB GLN 68 84.420 16.808 15.814 1.00 84.25 1SG 531 ATOM 531 CG GLN 68 84.384 17.051 17.325 1.00 84.25 1SG 532 ATOM 532 CD GLN 68 83.115 16.411 17.868 1.00 84.25 1SG 533 ATOM 533 OE1 GLN 68 82.867 16.404 19.072 1.00 84.25 1SG 534 ATOM 534 NE2 GLN 68 82.281 15.859 16.947 1.00 84.25 1SG 535 ATOM 535 C GLN 68 86.857 17.028 15.591 1.00 84.25 1SG 536 ATOM 536 O GLN 68 87.469 17.585 16.502 1.00 84.25 1SG 537 ATOM 537 N GLU 69 87.337 15.928 14.981 1.00 31.72 1SG 538 ATOM 538 CA GLU 69 88.550 15.339 15.465 1.00 31.72 1SG 539 ATOM 539 CB GLU 69 88.961 14.078 14.683 1.00 31.72 1SG 540 ATOM 540 CG GLU 69 87.992 12.909 14.884 1.00 31.72 1SG 541 ATOM 541 CD GLU 69 88.484 11.717 14.074 1.00 31.72 1SG 542 ATOM 542 OE1 GLU 69 89.666 11.320 14.262 1.00 31.72 1SG 543 ATOM 543 OE2 GLU 69 87.684 11.185 13.259 1.00 31.72 1SG 544 ATOM 544 C GLU 69 89.632 16.357 15.336 1.00 31.72 1SG 545 ATOM 545 O GLU 69 90.424 16.549 16.258 1.00 31.72 1SG 546 ATOM 546 N LYS 70 89.696 17.044 14.181 1.00111.74 1SG 547 ATOM 547 CA LYS 70 90.667 18.085 14.042 1.00111.74 1SG 548 ATOM 548 CB LYS 70 91.829 17.664 13.125 1.00111.74 1SG 549 ATOM 549 CG LYS 70 93.135 18.415 13.385 1.00111.74 1SG 550 ATOM 550 CD LYS 70 94.368 17.636 12.913 1.00111.74 1SG 551 ATOM 551 CE LYS 70 95.697 18.315 13.249 1.00111.74 1SG 552 ATOM 552 NZ LYS 70 96.822 17.490 12.753 1.00111.74 1SG 553 ATOM 553 C LYS 70 89.904 19.224 13.445 1.00111.74 1SG 554 ATOM 554 O LYS 70 89.691 19.285 12.234 1.00111.74 1SG 555 ATOM 555 N HIS 71 89.476 20.168 14.310 1.00244.80 1SG 556 ATOM 556 CA HIS 71 88.594 21.241 13.936 1.00244.80 1SG 557 ATOM 557 ND1 HIS 71 88.267 20.581 17.102 1.00244.80 1SG 558 ATOM 558 CG HIS 71 87.582 21.393 16.227 1.00244.80 1SG 559 ATOM 559 CB HIS 71 88.240 22.155 15.117 1.00244.80 1SG 560 ATOM 560 NE2 HIS 71 86.128 20.497 17.701 1.00244.80 1SG 561 ATOM 561 CD2 HIS 71 86.277 21.328 16.605 1.00244.80 1SG 562 ATOM 562 CE1 HIS 71 87.351 20.073 17.964 1.00244.80 1SG 563 ATOM 563 C HIS 71 89.272 22.051 12.902 1.00244.80 1SG 564 ATOM 564 O HIS 71 90.501 22.106 12.869 1.00244.80 1SG 565 ATOM 565 N LEU 72 88.520 22.681 11.976 1.00402.37 1SG 566 ATOM 566 CA LEU 72 89.433 23.326 11.108 1.00402.37 1SG 567 ATOM 567 CB LEU 72 90.094 22.376 10.126 1.00402.37 1SG 568 ATOM 568 CG LEU 72 91.259 23.155 9.554 1.00402.37 1SG 569 ATOM 569 CD2 LEU 72 91.858 22.519 8.329 1.00402.37 1SG 570 ATOM 570 CD1 LEU 72 92.228 23.472 10.692 1.00402.37 1SG 571 ATOM 571 C LEU 72 88.909 24.459 10.286 1.00402.37 1SG 572 ATOM 572 O LEU 72 87.766 24.484 9.835 1.00402.37 1SG 573 ATOM 573 N ALA 73 89.800 25.462 10.131 1.00226.92 1SG 574 ATOM 574 CA ALA 73 89.732 26.489 9.144 1.00226.92 1SG 575 ATOM 575 CB ALA 73 89.749 27.911 9.724 1.00226.92 1SG 576 ATOM 576 C ALA 73 91.036 26.304 8.417 1.00226.92 1SG 577 ATOM 577 O ALA 73 92.057 26.879 8.780 1.00226.92 1SG 578 ATOM 578 N GLU 74 90.997 25.524 7.327 1.00218.75 1SG 579 ATOM 579 CA GLU 74 92.072 25.097 6.467 1.00218.75 1SG 580 ATOM 580 CB GLU 74 92.404 26.124 5.367 1.00218.75 1SG 581 ATOM 581 CG GLU 74 91.225 26.505 4.465 1.00218.75 1SG 582 ATOM 582 CD GLU 74 91.646 27.660 3.555 1.00218.75 1SG 583 ATOM 583 OE1 GLU 74 91.762 28.805 4.065 1.00218.75 1SG 584 ATOM 584 OE2 GLU 74 91.843 27.418 2.335 1.00218.75 1SG 585 ATOM 585 C GLU 74 93.375 24.739 7.164 1.00218.75 1SG 586 ATOM 586 O GLU 74 94.352 24.487 6.462 1.00218.75 1SG 587 ATOM 587 N GLU 75 93.497 24.719 8.518 1.00178.23 1SG 588 ATOM 588 CA GLU 75 94.719 24.151 9.041 1.00178.23 1SG 589 ATOM 589 CB GLU 75 94.982 24.501 10.521 1.00178.23 1SG 590 ATOM 590 CG GLU 75 96.380 24.082 10.984 1.00178.23 1SG 591 ATOM 591 CD GLU 75 96.682 24.735 12.326 1.00178.23 1SG 592 ATOM 592 OE1 GLU 75 95.986 24.403 13.323 1.00178.23 1SG 593 ATOM 593 OE2 GLU 75 97.622 25.572 12.368 1.00178.23 1SG 594 ATOM 594 C GLU 75 94.828 22.632 8.862 1.00178.23 1SG 595 ATOM 595 O GLU 75 95.581 22.189 8.006 1.00178.23 1SG 596 ATOM 596 N ALA 76 94.163 21.759 9.672 1.00 94.38 1SG 597 ATOM 597 CA ALA 76 94.163 20.327 9.439 1.00 94.38 1SG 598 ATOM 598 CB ALA 76 93.910 19.559 10.740 1.00 94.38 1SG 599 ATOM 599 C ALA 76 93.197 19.741 8.405 1.00 94.38 1SG 600 ATOM 600 O ALA 76 93.620 19.305 7.336 1.00 94.38 1SG 601 ATOM 601 N PHE 77 91.862 19.756 8.694 1.00 89.70 1SG 602 ATOM 602 CA PHE 77 90.805 19.136 7.901 1.00 89.70 1SG 603 ATOM 603 CB PHE 77 89.457 19.176 8.651 1.00 89.70 1SG 604 ATOM 604 CG PHE 77 88.358 18.756 7.734 1.00 89.70 1SG 605 ATOM 605 CD1 PHE 77 88.084 17.427 7.510 1.00 89.70 1SG 606 ATOM 606 CD2 PHE 77 87.587 19.703 7.098 1.00 89.70 1SG 607 ATOM 607 CE1 PHE 77 87.063 17.061 6.664 1.00 89.70 1SG 608 ATOM 608 CE2 PHE 77 86.565 19.345 6.252 1.00 89.70 1SG 609 ATOM 609 CZ PHE 77 86.305 18.016 6.028 1.00 89.70 1SG 610 ATOM 610 C PHE 77 90.581 19.812 6.580 1.00 89.70 1SG 611 ATOM 611 O PHE 77 90.726 19.234 5.504 1.00 89.70 1SG 612 ATOM 612 N LEU 78 90.232 21.097 6.684 1.00125.97 1SG 613 ATOM 613 CA LEU 78 89.997 22.085 5.687 1.00125.97 1SG 614 ATOM 614 CB LEU 78 89.469 23.431 6.215 1.00125.97 1SG 615 ATOM 615 CG LEU 78 88.007 23.402 6.693 1.00125.97 1SG 616 ATOM 616 CD2 LEU 78 87.453 24.824 6.884 1.00125.97 1SG 617 ATOM 617 CD1 LEU 78 87.840 22.514 7.932 1.00125.97 1SG 618 ATOM 618 C LEU 78 91.267 22.369 4.959 1.00125.97 1SG 619 ATOM 619 O LEU 78 91.213 22.911 3.863 1.00125.97 1SG 620 ATOM 620 N ARG 79 92.455 22.123 5.544 1.00142.06 1SG 621 ATOM 621 CA ARG 79 93.610 22.405 4.730 1.00142.06 1SG 622 ATOM 622 CB ARG 79 94.951 22.048 5.375 1.00142.06 1SG 623 ATOM 623 CG ARG 79 96.180 22.436 4.549 1.00142.06 1SG 624 ATOM 624 CD ARG 79 97.509 22.164 5.264 1.00142.06 1SG 625 ATOM 625 NE ARG 79 97.552 23.056 6.458 1.00142.06 1SG 626 ATOM 626 CZ ARG 79 98.521 22.930 7.411 1.00142.06 1SG 627 ATOM 627 NH1 ARG 79 99.504 21.995 7.270 1.00142.06 1SG 628 ATOM 628 NH2 ARG 79 98.504 23.743 8.509 1.00142.06 1SG 629 ATOM 629 C ARG 79 93.545 21.532 3.517 1.00142.06 1SG 630 ATOM 630 O ARG 79 93.744 21.996 2.397 1.00142.06 1SG 631 ATOM 631 N ALA 80 93.267 20.230 3.717 1.00 27.25 1SG 632 ATOM 632 CA ALA 80 93.201 19.322 2.610 1.00 27.25 1SG 633 ATOM 633 CB ALA 80 93.008 17.860 3.048 1.00 27.25 1SG 634 ATOM 634 C ALA 80 92.040 19.676 1.730 1.00 27.25 1SG 635 ATOM 635 O ALA 80 92.162 19.701 0.507 1.00 27.25 1SG 636 ATOM 636 N TYR 81 90.877 19.964 2.346 1.00 99.60 1SG 637 ATOM 637 CA TYR 81 89.656 20.226 1.632 1.00 99.60 1SG 638 ATOM 638 CB TYR 81 88.503 20.433 2.631 1.00 99.60 1SG 639 ATOM 639 CG TYR 81 87.211 20.701 1.940 1.00 99.60 1SG 640 ATOM 640 CD1 TYR 81 86.426 19.658 1.507 1.00 99.60 1SG 641 ATOM 641 CD2 TYR 81 86.770 21.990 1.745 1.00 99.60 1SG 642 ATOM 642 CE1 TYR 81 85.225 19.895 0.881 1.00 99.60 1SG 643 ATOM 643 CE2 TYR 81 85.569 22.235 1.119 1.00 99.60 1SG 644 ATOM 644 CZ TYR 81 84.795 21.186 0.684 1.00 99.60 1SG 645 ATOM 645 OH TYR 81 83.562 21.432 0.043 1.00 99.60 1SG 646 ATOM 646 C TYR 81 89.800 21.480 0.820 1.00 99.60 1SG 647 ATOM 647 O TYR 81 89.541 21.497 -0.382 1.00 99.60 1SG 648 ATOM 648 N ALA 82 90.241 22.559 1.483 1.00 42.19 1SG 649 ATOM 649 CA ALA 82 90.453 23.875 0.949 1.00 42.19 1SG 650 ATOM 650 CB ALA 82 90.783 24.911 2.028 1.00 42.19 1SG 651 ATOM 651 C ALA 82 91.585 23.851 -0.017 1.00 42.19 1SG 652 ATOM 652 O ALA 82 91.582 24.595 -0.996 1.00 42.19 1SG 653 ATOM 653 N LYS 83 92.585 22.987 0.245 1.00 92.43 1SG 654 ATOM 654 CA LYS 83 93.762 22.917 -0.567 1.00 92.43 1SG 655 ATOM 655 CB LYS 83 93.418 22.873 -2.069 1.00 92.43 1SG 656 ATOM 656 CG LYS 83 94.609 22.792 -3.023 1.00 92.43 1SG 657 ATOM 657 CD LYS 83 94.187 22.513 -4.467 1.00 92.43 1SG 658 ATOM 658 CE LYS 83 95.325 22.647 -5.480 1.00 92.43 1SG 659 ATOM 659 NZ LYS 83 94.796 22.500 -6.854 1.00 92.43 1SG 660 ATOM 660 C LYS 83 94.604 24.125 -0.279 1.00 92.43 1SG 661 ATOM 661 O LYS 83 95.500 24.470 -1.048 1.00 92.43 1SG 662 ATOM 662 N ASP 84 94.345 24.796 0.865 1.00 42.22 1SG 663 ATOM 663 CA ASP 84 95.173 25.896 1.268 1.00 42.22 1SG 664 ATOM 664 CB ASP 84 94.429 27.227 1.448 1.00 42.22 1SG 665 ATOM 665 CG ASP 84 95.488 28.306 1.620 1.00 42.22 1SG 666 ATOM 666 OD1 ASP 84 96.696 27.957 1.549 1.00 42.22 1SG 667 ATOM 667 OD2 ASP 84 95.107 29.490 1.823 1.00 42.22 1SG 668 ATOM 668 C ASP 84 95.753 25.536 2.601 1.00 42.22 1SG 669 ATOM 669 O ASP 84 95.059 25.523 3.617 1.00 42.22 1SG 670 ATOM 670 N GLU 85 97.061 25.230 2.618 1.00 69.06 1SG 671 ATOM 671 CA GLU 85 97.759 24.816 3.804 1.00 69.06 1SG 672 ATOM 672 CB GLU 85 99.206 24.387 3.504 1.00 69.06 1SG 673 ATOM 673 CG GLU 85 99.945 23.812 4.713 1.00 69.06 1SG 674 ATOM 674 CD GLU 85 101.348 23.440 4.256 1.00 69.06 1SG 675 ATOM 675 OE1 GLU 85 101.654 23.658 3.053 1.00 69.06 1SG 676 ATOM 676 OE2 GLU 85 102.133 22.937 5.103 1.00 69.06 1SG 677 ATOM 677 C GLU 85 97.813 25.918 4.826 1.00 69.06 1SG 678 ATOM 678 O GLU 85 97.672 25.667 6.021 1.00 69.06 1SG 679 ATOM 679 N PRO 86 98.006 27.138 4.427 1.00130.25 1SG 680 ATOM 680 CA PRO 86 98.158 28.163 5.424 1.00130.25 1SG 681 ATOM 681 CD PRO 86 98.861 27.401 3.276 1.00130.25 1SG 682 ATOM 682 CB PRO 86 98.745 29.367 4.695 1.00130.25 1SG 683 ATOM 683 CG PRO 86 99.574 28.730 3.568 1.00130.25 1SG 684 ATOM 684 C PRO 86 96.998 28.513 6.306 1.00130.25 1SG 685 ATOM 685 O PRO 86 97.237 29.177 7.312 1.00130.25 1SG 686 ATOM 686 N LEU 87 95.745 28.126 6.002 1.00152.94 1SG 687 ATOM 687 CA LEU 87 94.742 28.646 6.886 1.00152.94 1SG 688 ATOM 688 CB LEU 87 93.331 28.728 6.308 1.00152.94 1SG 689 ATOM 689 CG LEU 87 92.335 29.421 7.250 1.00152.94 1SG 690 ATOM 690 CD2 LEU 87 90.915 29.430 6.659 1.00152.94 1SG 691 ATOM 691 CD1 LEU 87 92.827 30.833 7.604 1.00152.94 1SG 692 ATOM 692 C LEU 87 94.737 27.930 8.203 1.00152.94 1SG 693 ATOM 693 O LEU 87 95.198 26.795 8.317 1.00152.94 1SG 694 ATOM 694 N TYR 88 94.218 28.623 9.245 1.00149.60 1SG 695 ATOM 695 CA TYR 88 94.254 28.138 10.597 1.00149.60 1SG 696 ATOM 696 CB TYR 88 95.042 29.102 11.509 1.00149.60 1SG 697 ATOM 697 CG TYR 88 95.027 28.567 12.892 1.00149.60 1SG 698 ATOM 698 CD1 TYR 88 95.774 27.450 13.181 1.00149.60 1SG 699 ATOM 699 CD2 TYR 88 94.296 29.174 13.887 1.00149.60 1SG 700 ATOM 700 CE1 TYR 88 95.802 26.917 14.443 1.00149.60 1SG 701 ATOM 701 CE2 TYR 88 94.324 28.646 15.153 1.00149.60 1SG 702 ATOM 702 CZ TYR 88 95.063 27.518 15.429 1.00149.60 1SG 703 ATOM 703 OH TYR 88 95.075 26.986 16.733 1.00149.60 1SG 704 ATOM 704 C TYR 88 92.862 27.988 11.137 1.00149.60 1SG 705 ATOM 705 O TYR 88 92.031 28.888 11.014 1.00149.60 1SG 706 ATOM 706 N ALA 89 92.572 26.802 11.725 1.00 68.90 1SG 707 ATOM 707 CA ALA 89 91.274 26.530 12.282 1.00 68.90 1SG 708 ATOM 708 CB ALA 89 91.048 25.105 12.800 1.00 68.90 1SG 709 ATOM 709 C ALA 89 91.137 27.306 13.520 1.00 68.90 1SG 710 ATOM 710 O ALA 89 92.059 27.354 14.328 1.00 68.90 1SG 711 ATOM 711 N TRP 90 89.958 27.911 13.716 1.00280.00 1SG 712 ATOM 712 CA TRP 90 89.800 28.612 14.938 1.00280.00 1SG 713 ATOM 713 CB TRP 90 90.850 29.760 14.863 1.00280.00 1SG 714 ATOM 714 CG TRP 90 91.503 30.461 16.053 1.00280.00 1SG 715 ATOM 715 CD2 TRP 90 92.244 29.813 17.111 1.00280.00 1SG 716 ATOM 716 CD1 TRP 90 91.591 31.799 16.311 1.00280.00 1SG 717 ATOM 717 NE1 TRP 90 92.370 32.022 17.426 1.00280.00 1SG 718 ATOM 718 CE2 TRP 90 92.769 30.805 17.936 1.00280.00 1SG 719 ATOM 719 CE3 TRP 90 92.447 28.496 17.401 1.00280.00 1SG 720 ATOM 720 CZ2 TRP 90 93.508 30.488 19.049 1.00280.00 1SG 721 ATOM 721 CZ3 TRP 90 93.221 28.184 18.502 1.00280.00 1SG 722 ATOM 722 CH2 TRP 90 93.751 29.157 19.321 1.00280.00 1SG 723 ATOM 723 C TRP 90 88.340 28.992 14.879 1.00280.00 1SG 724 ATOM 724 O TRP 90 87.981 29.958 14.206 1.00280.00 1SG 725 ATOM 725 N VAL 91 87.464 28.193 15.551 1.00 92.26 1SG 726 ATOM 726 CA VAL 91 86.022 28.381 15.583 1.00 92.26 1SG 727 ATOM 727 CB VAL 91 85.268 27.084 15.794 1.00 92.26 1SG 728 ATOM 728 CG1 VAL 91 83.765 27.359 16.003 1.00 92.26 1SG 729 ATOM 729 CG2 VAL 91 85.578 26.159 14.602 1.00 92.26 1SG 730 ATOM 730 C VAL 91 85.788 29.290 16.740 1.00 92.26 1SG 731 ATOM 731 O VAL 91 85.998 28.900 17.886 1.00 92.26 1SG 732 ATOM 732 N LEU 92 85.251 30.497 16.481 1.00241.95 1SG 733 ATOM 733 CA LEU 92 85.474 31.518 17.462 1.00241.95 1SG 734 ATOM 734 CB LEU 92 85.105 31.268 18.926 1.00241.95 1SG 735 ATOM 735 CG LEU 92 85.087 32.606 19.718 1.00241.95 1SG 736 ATOM 736 CD2 LEU 92 86.083 33.669 19.195 1.00241.95 1SG 737 ATOM 737 CD1 LEU 92 85.121 32.376 21.237 1.00241.95 1SG 738 ATOM 738 C LEU 92 86.945 31.406 17.454 1.00241.95 1SG 739 ATOM 739 O LEU 92 87.531 31.378 16.375 1.00241.95 1SG 740 ATOM 740 N GLU 93 87.613 31.403 18.616 1.00166.73 1SG 741 ATOM 741 CA GLU 93 88.962 30.999 18.461 1.00166.73 1SG 742 ATOM 742 CB GLU 93 89.911 31.706 19.434 1.00166.73 1SG 743 ATOM 743 CG GLU 93 89.841 33.259 19.338 1.00166.73 1SG 744 ATOM 744 CD GLU 93 89.913 33.871 17.917 1.00166.73 1SG 745 ATOM 745 OE1 GLU 93 89.376 33.250 16.961 1.00166.73 1SG 746 ATOM 746 OE2 GLU 93 90.463 35.000 17.788 1.00166.73 1SG 747 ATOM 747 C GLU 93 89.021 29.471 18.441 1.00166.73 1SG 748 ATOM 748 O GLU 93 89.751 28.891 17.653 1.00166.73 1SG 749 ATOM 749 N ASN 94 88.220 28.744 19.246 1.00157.28 1SG 750 ATOM 750 CA ASN 94 88.176 27.288 19.245 1.00157.28 1SG 751 ATOM 751 CB ASN 94 87.409 26.591 18.119 1.00157.28 1SG 752 ATOM 752 CG ASN 94 87.253 25.164 18.621 1.00157.28 1SG 753 ATOM 753 OD1 ASN 94 87.204 24.211 17.847 1.00157.28 1SG 754 ATOM 754 ND2 ASN 94 87.145 25.013 19.969 1.00157.28 1SG 755 ATOM 755 C ASN 94 89.474 26.544 19.244 1.00157.28 1SG 756 ATOM 756 O ASN 94 89.876 25.998 18.216 1.00157.28 1SG 757 ATOM 757 N ALA 95 90.158 26.497 20.392 1.00 48.71 1SG 758 ATOM 758 CA ALA 95 91.324 25.682 20.561 1.00 48.71 1SG 759 ATOM 759 CB ALA 95 92.017 26.025 21.884 1.00 48.71 1SG 760 ATOM 760 C ALA 95 90.966 24.203 20.563 1.00 48.71 1SG 761 ATOM 761 O ALA 95 91.691 23.376 20.011 1.00 48.71 1SG 762 ATOM 762 N PHE 96 89.811 23.852 21.167 1.00 81.13 1SG 763 ATOM 763 CA PHE 96 89.369 22.510 21.492 1.00 81.13 1SG 764 ATOM 764 CB PHE 96 87.950 22.525 22.094 1.00 81.13 1SG 765 ATOM 765 CG PHE 96 87.489 21.154 22.464 1.00 81.13 1SG 766 ATOM 766 CD1 PHE 96 87.849 20.598 23.671 1.00 81.13 1SG 767 ATOM 767 CD2 PHE 96 86.678 20.429 21.619 1.00 81.13 1SG 768 ATOM 768 CE1 PHE 96 87.415 19.343 24.029 1.00 81.13 1SG 769 ATOM 769 CE2 PHE 96 86.240 19.172 21.970 1.00 81.13 1SG 770 ATOM 770 CZ PHE 96 86.613 18.624 23.175 1.00 81.13 1SG 771 ATOM 771 C PHE 96 89.383 21.553 20.334 1.00 81.13 1SG 772 ATOM 772 O PHE 96 89.186 21.936 19.184 1.00 81.13 1SG 773 ATOM 773 N ARG 97 89.665 20.263 20.650 1.00 74.78 1SG 774 ATOM 774 CA ARG 97 89.672 19.146 19.737 1.00 74.78 1SG 775 ATOM 775 CB ARG 97 91.061 18.529 19.502 1.00 74.78 1SG 776 ATOM 776 CG ARG 97 92.005 19.364 18.639 1.00 74.78 1SG 777 ATOM 777 CD ARG 97 93.312 18.630 18.331 1.00 74.78 1SG 778 ATOM 778 NE ARG 97 94.087 19.471 17.378 1.00 74.78 1SG 779 ATOM 779 CZ ARG 97 95.290 19.037 16.904 1.00 74.78 1SG 780 ATOM 780 NH1 ARG 97 95.790 17.832 17.307 1.00 74.78 1SG 781 ATOM 781 NH2 ARG 97 95.991 19.808 16.023 1.00 74.78 1SG 782 ATOM 782 C ARG 97 88.877 18.054 20.396 1.00 74.78 1SG 783 ATOM 783 O ARG 97 88.785 18.008 21.622 1.00 74.78 1SG 784 ATOM 784 N TYR 98 88.287 17.135 19.600 1.00 99.67 1SG 785 ATOM 785 CA TYR 98 87.488 16.066 20.149 1.00 99.67 1SG 786 ATOM 786 CB TYR 98 86.113 15.972 19.457 1.00 99.67 1SG 787 ATOM 787 CG TYR 98 85.228 14.959 20.107 1.00 99.67 1SG 788 ATOM 788 CD1 TYR 98 85.247 13.642 19.711 1.00 99.67 1SG 789 ATOM 789 CD2 TYR 98 84.361 15.331 21.111 1.00 99.67 1SG 790 ATOM 790 CE1 TYR 98 84.423 12.713 20.302 1.00 99.67 1SG 791 ATOM 791 CE2 TYR 98 83.534 14.409 21.708 1.00 99.67 1SG 792 ATOM 792 CZ TYR 98 83.566 13.095 21.306 1.00 99.67 1SG 793 ATOM 793 OH TYR 98 82.719 12.145 21.916 1.00 99.67 1SG 794 ATOM 794 C TYR 98 88.250 14.795 19.907 1.00 99.67 1SG 795 ATOM 795 O TYR 98 88.504 14.416 18.765 1.00 99.67 1SG 796 ATOM 796 N GLU 99 88.640 14.112 21.003 1.00 73.92 1SG 797 ATOM 797 CA GLU 99 89.496 12.957 20.939 1.00 73.92 1SG 798 ATOM 798 CB GLU 99 89.925 12.467 22.332 1.00 73.92 1SG 799 ATOM 799 CG GLU 99 90.726 13.508 23.115 1.00 73.92 1SG 800 ATOM 800 CD GLU 99 91.944 13.887 22.288 1.00 73.92 1SG 801 ATOM 801 OE1 GLU 99 92.213 13.187 21.275 1.00 73.92 1SG 802 ATOM 802 OE2 GLU 99 92.617 14.887 22.654 1.00 73.92 1SG 803 ATOM 803 C GLU 99 88.854 11.789 20.255 1.00 73.92 1SG 804 ATOM 804 O GLU 99 89.449 11.194 19.357 1.00 73.92 1SG 805 ATOM 805 N LYS 100 87.616 11.427 20.638 1.00 19.79 1SG 806 ATOM 806 CA LYS 100 87.054 10.238 20.064 1.00 19.79 1SG 807 ATOM 807 CB LYS 100 86.206 9.417 21.055 1.00 19.79 1SG 808 ATOM 808 CG LYS 100 87.050 8.735 22.137 1.00 19.79 1SG 809 ATOM 809 CD LYS 100 86.243 8.148 23.298 1.00 19.79 1SG 810 ATOM 810 CE LYS 100 87.115 7.475 24.362 1.00 19.79 1SG 811 ATOM 811 NZ LYS 100 86.270 6.936 25.451 1.00 19.79 1SG 812 ATOM 812 C LYS 100 86.184 10.587 18.866 1.00 19.79 1SG 813 ATOM 813 O LYS 100 86.427 11.652 18.240 1.00 19.79 1SG 814 ATOM 814 OXT LYS 100 85.273 9.776 18.550 1.00 19.79 1SG 815 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.523 REMARK SCORE 0.523 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 18 PARENT 1COT ATOM 1 N MET 1 9.386 1.375 30.084 1.00 50.73 1SG 2 ATOM 2 CA MET 1 8.832 2.702 29.733 1.00 50.73 1SG 3 ATOM 3 CB MET 1 8.963 2.955 28.222 1.00 50.73 1SG 4 ATOM 4 CG MET 1 8.537 4.365 27.804 1.00 50.73 1SG 5 ATOM 5 SD MET 1 8.681 4.705 26.023 1.00 50.73 1SG 6 ATOM 6 CE MET 1 8.108 6.425 26.134 1.00 50.73 1SG 7 ATOM 7 C MET 1 7.388 2.756 30.090 1.00 50.73 1SG 8 ATOM 8 O MET 1 6.767 3.812 30.016 1.00 50.73 1SG 9 ATOM 9 N GLU 2 6.820 1.606 30.495 1.00 21.30 1SG 10 ATOM 10 CA GLU 2 5.435 1.551 30.853 1.00 21.30 1SG 11 ATOM 11 CB GLU 2 4.942 0.131 31.174 1.00 21.30 1SG 12 ATOM 12 CG GLU 2 4.870 -0.766 29.937 1.00 21.30 1SG 13 ATOM 13 CD GLU 2 4.371 -2.135 30.373 1.00 21.30 1SG 14 ATOM 14 OE1 GLU 2 4.134 -2.316 31.597 1.00 21.30 1SG 15 ATOM 15 OE2 GLU 2 4.220 -3.018 29.487 1.00 21.30 1SG 16 ATOM 16 C GLU 2 5.226 2.400 32.062 1.00 21.30 1SG 17 ATOM 17 O GLU 2 4.216 3.093 32.170 1.00 21.30 1SG 18 ATOM 18 N ARG 3 6.183 2.382 33.010 1.00 85.44 1SG 19 ATOM 19 CA ARG 3 6.001 3.196 34.176 1.00 85.44 1SG 20 ATOM 20 CB ARG 3 7.156 3.125 35.197 1.00 85.44 1SG 21 ATOM 21 CG ARG 3 7.208 1.853 36.047 1.00 85.44 1SG 22 ATOM 22 CD ARG 3 7.721 0.610 35.319 1.00 85.44 1SG 23 ATOM 23 NE ARG 3 7.909 -0.445 36.355 1.00 85.44 1SG 24 ATOM 24 CZ ARG 3 8.738 -1.503 36.117 1.00 85.44 1SG 25 ATOM 25 NH1 ARG 3 9.373 -1.617 34.915 1.00 85.44 1SG 26 ATOM 26 NH2 ARG 3 8.937 -2.444 37.086 1.00 85.44 1SG 27 ATOM 27 C ARG 3 5.889 4.619 33.723 1.00 85.44 1SG 28 ATOM 28 O ARG 3 5.022 5.345 34.204 1.00 85.44 1SG 29 ATOM 29 N PRO 4 6.734 5.061 32.826 1.00 71.98 1SG 30 ATOM 30 CA PRO 4 6.624 6.396 32.306 1.00 71.98 1SG 31 ATOM 31 CD PRO 4 8.088 4.545 32.697 1.00 71.98 1SG 32 ATOM 32 CB PRO 4 7.977 6.721 31.665 1.00 71.98 1SG 33 ATOM 33 CG PRO 4 8.695 5.365 31.551 1.00 71.98 1SG 34 ATOM 34 C PRO 4 5.473 6.499 31.360 1.00 71.98 1SG 35 ATOM 35 O PRO 4 5.110 7.612 30.985 1.00 71.98 1SG 36 ATOM 36 N LYS 5 4.888 5.355 30.965 1.00156.28 1SG 37 ATOM 37 CA LYS 5 3.863 5.343 29.972 1.00156.28 1SG 38 ATOM 38 CB LYS 5 3.552 3.980 29.317 1.00156.28 1SG 39 ATOM 39 CG LYS 5 2.478 3.083 29.924 1.00156.28 1SG 40 ATOM 40 CD LYS 5 2.073 2.012 28.904 1.00156.28 1SG 41 ATOM 41 CE LYS 5 0.878 1.143 29.293 1.00156.28 1SG 42 ATOM 42 NZ LYS 5 0.541 0.236 28.171 1.00156.28 1SG 43 ATOM 43 C LYS 5 2.643 6.025 30.489 1.00156.28 1SG 44 ATOM 44 O LYS 5 1.701 6.286 29.749 1.00156.28 1SG 45 ATOM 45 N LEU 6 2.520 6.240 31.799 1.00147.84 1SG 46 ATOM 46 CA LEU 6 1.377 7.046 32.083 1.00147.84 1SG 47 ATOM 47 CB LEU 6 1.160 7.227 33.598 1.00147.84 1SG 48 ATOM 48 CG LEU 6 -0.057 8.092 33.973 1.00147.84 1SG 49 ATOM 49 CD2 LEU 6 -0.042 8.450 35.468 1.00147.84 1SG 50 ATOM 50 CD1 LEU 6 -1.372 7.432 33.534 1.00147.84 1SG 51 ATOM 51 C LEU 6 1.619 8.414 31.494 1.00147.84 1SG 52 ATOM 52 O LEU 6 0.852 8.895 30.665 1.00147.84 1SG 53 ATOM 53 N GLY 7 2.731 9.052 31.911 1.00 67.61 1SG 54 ATOM 54 CA GLY 7 3.113 10.415 31.616 1.00 67.61 1SG 55 ATOM 55 C GLY 7 3.700 10.788 30.273 1.00 67.61 1SG 56 ATOM 56 O GLY 7 3.427 11.884 29.786 1.00 67.61 1SG 57 ATOM 57 N LEU 8 4.536 9.939 29.639 1.00144.94 1SG 58 ATOM 58 CA LEU 8 5.401 10.504 28.626 1.00144.94 1SG 59 ATOM 59 CB LEU 8 6.872 10.297 29.053 1.00144.94 1SG 60 ATOM 60 CG LEU 8 7.299 10.934 30.408 1.00144.94 1SG 61 ATOM 61 CD2 LEU 8 8.771 10.611 30.697 1.00144.94 1SG 62 ATOM 62 CD1 LEU 8 6.445 10.494 31.612 1.00144.94 1SG 63 ATOM 63 C LEU 8 5.265 9.921 27.234 1.00144.94 1SG 64 ATOM 64 O LEU 8 5.676 8.793 26.971 1.00144.94 1SG 65 ATOM 65 N ILE 9 4.828 10.750 26.257 1.00122.33 1SG 66 ATOM 66 CA ILE 9 4.589 10.307 24.903 1.00122.33 1SG 67 ATOM 67 CB ILE 9 3.538 11.090 24.149 1.00122.33 1SG 68 ATOM 68 CG2 ILE 9 4.004 12.547 23.985 1.00122.33 1SG 69 ATOM 69 CG1 ILE 9 3.185 10.383 22.833 1.00122.33 1SG 70 ATOM 70 CD1 ILE 9 1.898 10.898 22.191 1.00122.33 1SG 71 ATOM 71 C ILE 9 5.794 10.499 24.061 1.00122.33 1SG 72 ATOM 72 O ILE 9 6.521 11.484 24.177 1.00122.33 1SG 73 ATOM 73 N VAL 10 6.051 9.501 23.202 1.00110.07 1SG 74 ATOM 74 CA VAL 10 7.047 9.669 22.200 1.00110.07 1SG 75 ATOM 75 CB VAL 10 8.017 8.526 22.112 1.00110.07 1SG 76 ATOM 76 CG1 VAL 10 8.910 8.567 23.364 1.00110.07 1SG 77 ATOM 77 CG2 VAL 10 7.228 7.213 22.011 1.00110.07 1SG 78 ATOM 78 C VAL 10 6.258 9.800 20.941 1.00110.07 1SG 79 ATOM 79 O VAL 10 5.326 9.035 20.698 1.00110.07 1SG 80 ATOM 80 N ARG 11 6.568 10.820 20.123 1.00 86.61 1SG 81 ATOM 81 CA ARG 11 5.755 11.008 18.961 1.00 86.61 1SG 82 ATOM 82 CB ARG 11 4.605 11.992 19.248 1.00 86.61 1SG 83 ATOM 83 CG ARG 11 3.542 12.107 18.159 1.00 86.61 1SG 84 ATOM 84 CD ARG 11 2.607 13.296 18.387 1.00 86.61 1SG 85 ATOM 85 NE ARG 11 1.700 13.418 17.212 1.00 86.61 1SG 86 ATOM 86 CZ ARG 11 0.472 13.992 17.371 1.00 86.61 1SG 87 ATOM 87 NH1 ARG 11 0.095 14.452 18.600 1.00 86.61 1SG 88 ATOM 88 NH2 ARG 11 -0.380 14.103 16.310 1.00 86.61 1SG 89 ATOM 89 C ARG 11 6.633 11.539 17.869 1.00 86.61 1SG 90 ATOM 90 O ARG 11 7.688 12.114 18.126 1.00 86.61 1SG 91 ATOM 91 N GLU 12 6.252 11.314 16.597 1.00107.96 1SG 92 ATOM 92 CA GLU 12 7.082 11.828 15.547 1.00107.96 1SG 93 ATOM 93 CB GLU 12 7.040 10.989 14.261 1.00107.96 1SG 94 ATOM 94 CG GLU 12 8.157 11.340 13.279 1.00107.96 1SG 95 ATOM 95 CD GLU 12 8.403 10.117 12.408 1.00107.96 1SG 96 ATOM 96 OE1 GLU 12 7.699 9.093 12.616 1.00107.96 1SG 97 ATOM 97 OE2 GLU 12 9.308 10.183 11.533 1.00107.96 1SG 98 ATOM 98 C GLU 12 6.641 13.224 15.264 1.00107.96 1SG 99 ATOM 99 O GLU 12 5.451 13.522 15.206 1.00107.96 1SG 100 ATOM 100 N PRO 13 7.592 14.074 15.015 1.00198.77 1SG 101 ATOM 101 CA PRO 13 7.369 15.484 14.891 1.00198.77 1SG 102 ATOM 102 CD PRO 13 8.998 13.717 15.049 1.00198.77 1SG 103 ATOM 103 CB PRO 13 8.723 16.077 14.503 1.00198.77 1SG 104 ATOM 104 CG PRO 13 9.741 15.064 15.069 1.00198.77 1SG 105 ATOM 105 C PRO 13 6.250 15.828 13.969 1.00198.77 1SG 106 ATOM 106 O PRO 13 6.252 15.402 12.814 1.00198.77 1SG 107 ATOM 107 N TYR 14 5.285 16.613 14.481 1.00305.25 1SG 108 ATOM 108 CA TYR 14 4.152 17.003 13.705 1.00305.25 1SG 109 ATOM 109 CB TYR 14 2.847 16.854 14.522 1.00305.25 1SG 110 ATOM 110 CG TYR 14 1.610 16.815 13.679 1.00305.25 1SG 111 ATOM 111 CD1 TYR 14 0.916 17.961 13.367 1.00305.25 1SG 112 ATOM 112 CD2 TYR 14 1.123 15.610 13.217 1.00305.25 1SG 113 ATOM 113 CE1 TYR 14 -0.227 17.903 12.602 1.00305.25 1SG 114 ATOM 114 CE2 TYR 14 -0.023 15.541 12.452 1.00305.25 1SG 115 ATOM 115 CZ TYR 14 -0.701 16.697 12.142 1.00305.25 1SG 116 ATOM 116 OH TYR 14 -1.871 16.649 11.355 1.00305.25 1SG 117 ATOM 117 C TYR 14 4.398 18.456 13.470 1.00305.25 1SG 118 ATOM 118 O TYR 14 4.124 19.295 14.327 1.00305.25 1SG 119 ATOM 119 N ALA 15 4.952 18.787 12.292 1.00218.42 1SG 120 ATOM 120 CA ALA 15 5.237 20.160 12.024 1.00218.42 1SG 121 ATOM 121 CB ALA 15 6.460 20.372 11.117 1.00218.42 1SG 122 ATOM 122 C ALA 15 4.056 20.657 11.292 1.00218.42 1SG 123 ATOM 123 O ALA 15 3.543 19.964 10.415 1.00218.42 1SG 124 ATOM 124 N SER 16 3.547 21.845 11.660 1.00179.62 1SG 125 ATOM 125 CA SER 16 2.423 22.228 10.884 1.00179.62 1SG 126 ATOM 126 CB SER 16 1.067 21.874 11.518 1.00179.62 1SG 127 ATOM 127 OG SER 16 0.009 22.300 10.669 1.00179.62 1SG 128 ATOM 128 C SER 16 2.386 23.692 10.637 1.00179.62 1SG 129 ATOM 129 O SER 16 1.799 24.451 11.406 1.00179.62 1SG 130 ATOM 130 N LEU 17 3.020 24.131 9.538 1.00252.52 1SG 131 ATOM 131 CA LEU 17 2.593 25.396 9.043 1.00252.52 1SG 132 ATOM 132 CB LEU 17 3.664 26.184 8.264 1.00252.52 1SG 133 ATOM 133 CG LEU 17 3.187 27.570 7.775 1.00252.52 1SG 134 ATOM 134 CD2 LEU 17 4.180 28.194 6.779 1.00252.52 1SG 135 ATOM 135 CD1 LEU 17 2.879 28.506 8.957 1.00252.52 1SG 136 ATOM 136 C LEU 17 1.639 24.798 8.072 1.00252.52 1SG 137 ATOM 137 O LEU 17 1.886 24.754 6.868 1.00252.52 1SG 138 ATOM 138 N ILE 18 0.519 24.305 8.637 1.00180.79 1SG 139 ATOM 139 CA ILE 18 -0.406 23.418 8.009 1.00180.79 1SG 140 ATOM 140 CB ILE 18 -1.433 24.191 7.213 1.00180.79 1SG 141 ATOM 141 CG2 ILE 18 -0.732 24.979 6.098 1.00180.79 1SG 142 ATOM 142 CG1 ILE 18 -2.609 23.323 6.752 1.00180.79 1SG 143 ATOM 143 CD1 ILE 18 -3.752 24.170 6.190 1.00180.79 1SG 144 ATOM 144 C ILE 18 0.418 22.443 7.199 1.00180.79 1SG 145 ATOM 145 O ILE 18 0.722 22.665 6.029 1.00180.79 1SG 146 ATOM 146 N VAL 19 0.760 21.299 7.848 1.00119.94 1SG 147 ATOM 147 CA VAL 19 1.570 20.212 7.348 1.00119.94 1SG 148 ATOM 148 CB VAL 19 3.012 20.606 7.075 1.00119.94 1SG 149 ATOM 149 CG1 VAL 19 3.102 21.352 5.729 1.00119.94 1SG 150 ATOM 150 CG2 VAL 19 3.472 21.549 8.198 1.00119.94 1SG 151 ATOM 151 C VAL 19 1.466 19.060 8.336 1.00119.94 1SG 152 ATOM 152 O VAL 19 1.055 19.250 9.479 1.00119.94 1SG 153 ATOM 153 N ASP 20 1.824 17.829 7.890 1.00145.86 1SG 154 ATOM 154 CA ASP 20 1.658 16.541 8.548 1.00145.86 1SG 155 ATOM 155 CB ASP 20 2.311 15.462 7.668 1.00145.86 1SG 156 ATOM 156 CG ASP 20 3.789 15.831 7.387 1.00145.86 1SG 157 ATOM 157 OD1 ASP 20 4.256 16.968 7.679 1.00145.86 1SG 158 ATOM 158 OD2 ASP 20 4.481 14.938 6.833 1.00145.86 1SG 159 ATOM 159 C ASP 20 2.185 16.317 9.967 1.00145.86 1SG 160 ATOM 160 O ASP 20 1.707 16.958 10.895 1.00145.86 1SG 161 ATOM 161 N GLY 21 3.298 15.548 10.161 1.00110.96 1SG 162 ATOM 162 CA GLY 21 3.715 15.054 11.480 1.00110.96 1SG 163 ATOM 163 C GLY 21 3.232 13.607 11.684 1.00110.96 1SG 164 ATOM 164 O GLY 21 2.635 13.036 10.773 1.00110.96 1SG 165 ATOM 165 N ARG 22 3.488 12.964 12.874 1.00171.74 1SG 166 ATOM 166 CA ARG 22 3.118 11.569 13.144 1.00171.74 1SG 167 ATOM 167 CB ARG 22 4.078 10.552 12.474 1.00171.74 1SG 168 ATOM 168 CG ARG 22 3.660 9.076 12.584 1.00171.74 1SG 169 ATOM 169 CD ARG 22 4.733 8.071 12.146 1.00171.74 1SG 170 ATOM 170 NE ARG 22 4.309 6.716 12.607 1.00171.74 1SG 171 ATOM 171 CZ ARG 22 5.180 5.666 12.535 1.00171.74 1SG 172 ATOM 172 NH1 ARG 22 6.407 5.839 11.963 1.00171.74 1SG 173 ATOM 173 NH2 ARG 22 4.833 4.447 13.043 1.00171.74 1SG 174 ATOM 174 C ARG 22 3.130 11.293 14.651 1.00171.74 1SG 175 ATOM 175 O ARG 22 3.305 12.216 15.438 1.00171.74 1SG 176 ATOM 176 N LYS 23 2.876 10.026 15.108 1.00108.52 1SG 177 ATOM 177 CA LYS 23 2.937 9.653 16.518 1.00108.52 1SG 178 ATOM 178 CB LYS 23 1.574 9.471 17.208 1.00108.52 1SG 179 ATOM 179 CG LYS 23 0.746 10.729 17.439 1.00108.52 1SG 180 ATOM 180 CD LYS 23 -0.639 10.408 18.005 1.00108.52 1SG 181 ATOM 181 CE LYS 23 -0.577 9.637 19.328 1.00108.52 1SG 182 ATOM 182 NZ LYS 23 -1.943 9.356 19.822 1.00108.52 1SG 183 ATOM 183 C LYS 23 3.537 8.273 16.656 1.00108.52 1SG 184 ATOM 184 O LYS 23 2.969 7.305 16.154 1.00108.52 1SG 185 ATOM 185 N VAL 24 4.712 8.132 17.318 1.00116.47 1SG 186 ATOM 186 CA VAL 24 5.274 6.813 17.503 1.00116.47 1SG 187 ATOM 187 CB VAL 24 6.749 6.823 17.797 1.00116.47 1SG 188 ATOM 188 CG1 VAL 24 7.477 7.419 16.582 1.00116.47 1SG 189 ATOM 189 CG2 VAL 24 7.008 7.585 19.099 1.00116.47 1SG 190 ATOM 190 C VAL 24 4.582 5.992 18.572 1.00116.47 1SG 191 ATOM 191 O VAL 24 4.100 4.895 18.292 1.00116.47 1SG 192 ATOM 192 N TRP 25 4.492 6.507 19.823 1.00159.60 1SG 193 ATOM 193 CA TRP 25 3.910 5.769 20.926 1.00159.60 1SG 194 ATOM 194 CB TRP 25 4.937 5.365 22.013 1.00159.60 1SG 195 ATOM 195 CG TRP 25 4.403 4.809 23.325 1.00159.60 1SG 196 ATOM 196 CD2 TRP 25 4.416 3.426 23.734 1.00159.60 1SG 197 ATOM 197 CD1 TRP 25 3.907 5.511 24.386 1.00159.60 1SG 198 ATOM 198 NE1 TRP 25 3.607 4.660 25.422 1.00159.60 1SG 199 ATOM 199 CE2 TRP 25 3.918 3.374 25.039 1.00159.60 1SG 200 ATOM 200 CE3 TRP 25 4.821 2.293 23.088 1.00159.60 1SG 201 ATOM 201 CZ2 TRP 25 3.817 2.191 25.714 1.00159.60 1SG 202 ATOM 202 CZ3 TRP 25 4.706 1.099 23.770 1.00159.60 1SG 203 ATOM 203 CH2 TRP 25 4.214 1.048 25.058 1.00159.60 1SG 204 ATOM 204 C TRP 25 2.912 6.657 21.583 1.00159.60 1SG 205 ATOM 205 O TRP 25 3.219 7.791 21.943 1.00159.60 1SG 206 ATOM 206 N GLU 26 1.679 6.150 21.760 1.00 73.16 1SG 207 ATOM 207 CA GLU 26 0.656 6.951 22.357 1.00 73.16 1SG 208 ATOM 208 CB GLU 26 -0.762 6.421 22.076 1.00 73.16 1SG 209 ATOM 209 CG GLU 26 -1.883 7.345 22.556 1.00 73.16 1SG 210 ATOM 210 CD GLU 26 -3.201 6.782 22.040 1.00 73.16 1SG 211 ATOM 211 OE1 GLU 26 -3.316 5.530 21.946 1.00 73.16 1SG 212 ATOM 212 OE2 GLU 26 -4.111 7.597 21.735 1.00 73.16 1SG 213 ATOM 213 C GLU 26 0.858 6.945 23.833 1.00 73.16 1SG 214 ATOM 214 O GLU 26 1.189 5.918 24.424 1.00 73.16 1SG 215 ATOM 215 N ILE 27 0.688 8.118 24.471 1.00138.62 1SG 216 ATOM 216 CA ILE 27 0.820 8.139 25.889 1.00138.62 1SG 217 ATOM 217 CB ILE 27 2.147 8.516 26.362 1.00138.62 1SG 218 ATOM 218 CG2 ILE 27 2.113 10.037 26.444 1.00138.62 1SG 219 ATOM 219 CG1 ILE 27 2.240 7.977 27.757 1.00138.62 1SG 220 ATOM 220 CD1 ILE 27 3.617 7.680 28.263 1.00138.62 1SG 221 ATOM 221 C ILE 27 -0.033 9.244 26.420 1.00138.62 1SG 222 ATOM 222 O ILE 27 -0.516 10.076 25.655 1.00138.62 1SG 223 ATOM 223 N ARG 28 -0.249 9.272 27.756 1.00180.05 1SG 224 ATOM 224 CA ARG 28 -0.908 10.411 28.320 1.00180.05 1SG 225 ATOM 225 CB ARG 28 -1.344 10.270 29.786 1.00180.05 1SG 226 ATOM 226 CG ARG 28 -1.778 11.609 30.387 1.00180.05 1SG 227 ATOM 227 CD ARG 28 -1.935 11.595 31.908 1.00180.05 1SG 228 ATOM 228 NE ARG 28 -2.202 12.996 32.343 1.00180.05 1SG 229 ATOM 229 CZ ARG 28 -2.381 13.280 33.667 1.00180.05 1SG 230 ATOM 230 NH1 ARG 28 -2.334 12.278 34.592 1.00180.05 1SG 231 ATOM 231 NH2 ARG 28 -2.603 14.567 34.066 1.00180.05 1SG 232 ATOM 232 C ARG 28 0.057 11.545 28.271 1.00180.05 1SG 233 ATOM 233 O ARG 28 1.226 11.402 28.620 1.00180.05 1SG 234 ATOM 234 N ARG 29 -0.439 12.725 27.861 1.00160.81 1SG 235 ATOM 235 CA ARG 29 0.385 13.879 27.661 1.00160.81 1SG 236 ATOM 236 CB ARG 29 -0.321 14.882 26.747 1.00160.81 1SG 237 ATOM 237 CG ARG 29 -1.685 15.260 27.329 1.00160.81 1SG 238 ATOM 238 CD ARG 29 -2.523 16.184 26.449 1.00160.81 1SG 239 ATOM 239 NE ARG 29 -3.895 16.199 27.029 1.00160.81 1SG 240 ATOM 240 CZ ARG 29 -4.977 16.332 26.208 1.00160.81 1SG 241 ATOM 241 NH1 ARG 29 -4.794 16.502 24.866 1.00160.81 1SG 242 ATOM 242 NH2 ARG 29 -6.239 16.282 26.724 1.00160.81 1SG 243 ATOM 243 C ARG 29 0.582 14.568 28.964 1.00160.81 1SG 244 ATOM 244 O ARG 29 0.635 15.796 29.022 1.00160.81 1SG 245 ATOM 245 N ARG 30 0.742 13.787 30.042 1.00134.85 1SG 246 ATOM 246 CA ARG 30 0.976 14.367 31.322 1.00134.85 1SG 247 ATOM 247 CB ARG 30 1.208 13.256 32.371 1.00134.85 1SG 248 ATOM 248 CG ARG 30 1.140 13.745 33.810 1.00134.85 1SG 249 ATOM 249 CD ARG 30 1.906 12.948 34.873 1.00134.85 1SG 250 ATOM 250 NE ARG 30 1.942 13.787 36.115 1.00134.85 1SG 251 ATOM 251 CZ ARG 30 1.886 13.217 37.356 1.00134.85 1SG 252 ATOM 252 NH1 ARG 30 1.587 11.891 37.490 1.00134.85 1SG 253 ATOM 253 NH2 ARG 30 2.149 13.966 38.468 1.00134.85 1SG 254 ATOM 254 C ARG 30 2.260 15.121 31.190 1.00134.85 1SG 255 ATOM 255 O ARG 30 2.321 16.337 31.355 1.00134.85 1SG 256 ATOM 256 N LYS 31 3.311 14.398 30.765 1.00 90.52 1SG 257 ATOM 257 CA LYS 31 4.622 14.964 30.675 1.00 90.52 1SG 258 ATOM 258 CB LYS 31 5.749 13.967 31.010 1.00 90.52 1SG 259 ATOM 259 CG LYS 31 7.124 14.617 31.205 1.00 90.52 1SG 260 ATOM 260 CD LYS 31 8.258 13.623 31.412 1.00 90.52 1SG 261 ATOM 261 CE LYS 31 9.648 14.258 31.404 1.00 90.52 1SG 262 ATOM 262 NZ LYS 31 10.639 13.272 31.894 1.00 90.52 1SG 263 ATOM 263 C LYS 31 4.842 15.369 29.256 1.00 90.52 1SG 264 ATOM 264 O LYS 31 3.987 15.178 28.394 1.00 90.52 1SG 265 ATOM 265 N THR 32 6.026 15.958 29.010 1.00108.06 1SG 266 ATOM 266 CA THR 32 6.479 16.433 27.743 1.00108.06 1SG 267 ATOM 267 CB THR 32 7.737 17.242 27.858 1.00108.06 1SG 268 ATOM 268 OG1 THR 32 8.119 17.730 26.585 1.00108.06 1SG 269 ATOM 269 CG2 THR 32 8.856 16.352 28.429 1.00108.06 1SG 270 ATOM 270 C THR 32 6.796 15.259 26.878 1.00108.06 1SG 271 ATOM 271 O THR 32 6.874 14.120 27.336 1.00108.06 1SG 272 ATOM 272 N ARG 33 6.979 15.540 25.576 1.00138.80 1SG 273 ATOM 273 CA ARG 33 7.253 14.544 24.585 1.00138.80 1SG 274 ATOM 274 CB ARG 33 7.236 15.128 23.171 1.00138.80 1SG 275 ATOM 275 CG ARG 33 7.063 14.107 22.054 1.00138.80 1SG 276 ATOM 276 CD ARG 33 7.496 14.685 20.713 1.00138.80 1SG 277 ATOM 277 NE ARG 33 6.684 14.034 19.658 1.00138.80 1SG 278 ATOM 278 CZ ARG 33 6.037 14.839 18.767 1.00138.80 1SG 279 ATOM 279 NH1 ARG 33 6.090 16.194 18.911 1.00138.80 1SG 280 ATOM 280 NH2 ARG 33 5.333 14.303 17.733 1.00138.80 1SG 281 ATOM 281 C ARG 33 8.642 14.048 24.808 1.00138.80 1SG 282 ATOM 282 O ARG 33 9.527 14.803 25.210 1.00138.80 1SG 283 ATOM 283 N HIS 34 8.867 12.745 24.554 1.00134.50 1SG 284 ATOM 284 CA HIS 34 10.182 12.215 24.748 1.00134.50 1SG 285 ATOM 285 ND1 HIS 34 9.098 12.451 27.468 1.00134.50 1SG 286 ATOM 286 CG HIS 34 10.117 11.608 27.104 1.00134.50 1SG 287 ATOM 287 CB HIS 34 10.221 11.047 25.736 1.00134.50 1SG 288 ATOM 288 NE2 HIS 34 10.466 12.306 29.211 1.00134.50 1SG 289 ATOM 289 CD2 HIS 34 10.944 11.521 28.179 1.00134.50 1SG 290 ATOM 290 CE1 HIS 34 9.358 12.842 28.733 1.00134.50 1SG 291 ATOM 291 C HIS 34 10.725 11.719 23.459 1.00134.50 1SG 292 ATOM 292 O HIS 34 11.850 11.223 23.426 1.00134.50 1SG 293 ATOM 293 N ARG 35 9.973 11.853 22.350 1.00120.03 1SG 294 ATOM 294 CA ARG 35 10.592 11.381 21.152 1.00120.03 1SG 295 ATOM 295 CB ARG 35 9.747 11.428 19.872 1.00120.03 1SG 296 ATOM 296 CG ARG 35 10.698 11.446 18.673 1.00120.03 1SG 297 ATOM 297 CD ARG 35 10.113 11.134 17.299 1.00120.03 1SG 298 ATOM 298 NE ARG 35 11.138 11.600 16.322 1.00120.03 1SG 299 ATOM 299 CZ ARG 35 12.298 10.902 16.151 1.00120.03 1SG 300 ATOM 300 NH1 ARG 35 12.539 9.779 16.889 1.00120.03 1SG 301 ATOM 301 NH2 ARG 35 13.238 11.349 15.268 1.00120.03 1SG 302 ATOM 302 C ARG 35 11.753 12.259 20.887 1.00120.03 1SG 303 ATOM 303 O ARG 35 11.650 13.484 20.924 1.00120.03 1SG 304 ATOM 304 N GLY 36 12.920 11.640 20.647 1.00 69.20 1SG 305 ATOM 305 CA GLY 36 14.078 12.424 20.363 1.00 69.20 1SG 306 ATOM 306 C GLY 36 14.411 13.143 21.622 1.00 69.20 1SG 307 ATOM 307 O GLY 36 13.693 13.087 22.619 1.00 69.20 1SG 308 ATOM 308 N PRO 37 15.502 13.823 21.619 1.00 98.53 1SG 309 ATOM 309 CA PRO 37 15.893 14.574 22.764 1.00 98.53 1SG 310 ATOM 310 CD PRO 37 16.325 14.065 20.448 1.00 98.53 1SG 311 ATOM 311 CB PRO 37 17.340 14.938 22.470 1.00 98.53 1SG 312 ATOM 312 CG PRO 37 17.364 15.089 20.933 1.00 98.53 1SG 313 ATOM 313 C PRO 37 14.923 15.727 22.851 1.00 98.53 1SG 314 ATOM 314 O PRO 37 14.471 16.203 21.810 1.00 98.53 1SG 315 ATOM 315 N LEU 38 14.580 16.164 24.080 1.00340.06 1SG 316 ATOM 316 CA LEU 38 13.622 17.200 24.395 1.00340.06 1SG 317 ATOM 317 CB LEU 38 12.632 16.720 25.466 1.00340.06 1SG 318 ATOM 318 CG LEU 38 11.954 17.883 26.220 1.00340.06 1SG 319 ATOM 319 CD2 LEU 38 11.488 17.458 27.624 1.00340.06 1SG 320 ATOM 320 CD1 LEU 38 10.886 18.580 25.372 1.00340.06 1SG 321 ATOM 321 C LEU 38 14.313 18.267 25.153 1.00340.06 1SG 322 ATOM 322 O LEU 38 15.274 17.867 25.799 1.00340.06 1SG 323 ATOM 323 N GLY 39 13.872 19.583 24.988 1.00152.10 1SG 324 ATOM 324 CA GLY 39 13.971 20.879 25.723 1.00152.10 1SG 325 ATOM 325 C GLY 39 15.081 21.956 25.871 1.00152.10 1SG 326 ATOM 326 O GLY 39 15.744 22.349 24.913 1.00152.10 1SG 327 ATOM 327 N ILE 40 15.221 22.447 27.153 1.00157.82 1SG 328 ATOM 328 CA ILE 40 16.056 23.379 27.927 1.00157.82 1SG 329 ATOM 329 CB ILE 40 15.579 23.511 29.354 1.00157.82 1SG 330 ATOM 330 CG2 ILE 40 16.776 23.480 30.305 1.00157.82 1SG 331 ATOM 331 CG1 ILE 40 14.408 24.469 29.582 1.00157.82 1SG 332 ATOM 332 CD1 ILE 40 13.802 24.324 30.979 1.00157.82 1SG 333 ATOM 333 C ILE 40 17.510 22.977 28.097 1.00157.82 1SG 334 ATOM 334 O ILE 40 18.369 23.859 28.119 1.00157.82 1SG 335 ATOM 335 N VAL 41 17.804 21.687 28.399 1.00168.28 1SG 336 ATOM 336 CA VAL 41 19.113 21.061 28.420 1.00168.28 1SG 337 ATOM 337 CB VAL 41 19.956 21.681 29.485 1.00168.28 1SG 338 ATOM 338 CG1 VAL 41 19.144 21.676 30.793 1.00168.28 1SG 339 ATOM 339 CG2 VAL 41 21.288 20.920 29.553 1.00168.28 1SG 340 ATOM 340 C VAL 41 19.014 19.545 28.697 1.00168.28 1SG 341 ATOM 341 O VAL 41 18.985 19.134 29.854 1.00168.28 1SG 342 ATOM 342 N SER 42 19.052 18.650 27.660 1.00217.74 1SG 343 ATOM 343 CA SER 42 18.885 17.211 27.834 1.00217.74 1SG 344 ATOM 344 CB SER 42 17.517 16.639 27.352 1.00217.74 1SG 345 ATOM 345 OG SER 42 17.354 15.271 27.699 1.00217.74 1SG 346 ATOM 346 C SER 42 19.934 16.508 27.018 1.00217.74 1SG 347 ATOM 347 O SER 42 20.793 17.138 26.403 1.00217.74 1SG 348 ATOM 348 N GLY 43 19.914 15.159 27.025 1.00 80.54 1SG 349 ATOM 349 CA GLY 43 20.857 14.419 26.243 1.00 80.54 1SG 350 ATOM 350 C GLY 43 20.459 14.505 24.804 1.00 80.54 1SG 351 ATOM 351 O GLY 43 19.326 14.195 24.437 1.00 80.54 1SG 352 ATOM 352 N GLY 44 21.394 14.946 23.943 1.00 33.99 1SG 353 ATOM 353 CA GLY 44 21.162 14.957 22.527 1.00 33.99 1SG 354 ATOM 354 C GLY 44 20.508 16.246 22.145 1.00 33.99 1SG 355 ATOM 355 O GLY 44 20.800 16.819 21.098 1.00 33.99 1SG 356 ATOM 356 N ARG 45 19.583 16.727 22.992 1.00111.71 1SG 357 ATOM 357 CA ARG 45 18.922 17.985 22.790 1.00111.71 1SG 358 ATOM 358 CB ARG 45 17.546 17.890 22.084 1.00111.71 1SG 359 ATOM 359 CG ARG 45 16.646 19.131 22.017 1.00111.71 1SG 360 ATOM 360 CD ARG 45 15.363 18.885 21.198 1.00111.71 1SG 361 ATOM 361 NE ARG 45 14.160 18.900 22.087 1.00111.71 1SG 362 ATOM 362 CZ ARG 45 12.956 18.487 21.586 1.00111.71 1SG 363 ATOM 363 NH1 ARG 45 12.900 17.914 20.348 1.00111.71 1SG 364 ATOM 364 NH2 ARG 45 11.807 18.640 22.308 1.00111.71 1SG 365 ATOM 365 C ARG 45 18.669 18.444 24.164 1.00111.71 1SG 366 ATOM 366 O ARG 45 18.429 17.630 25.036 1.00111.71 1SG 367 ATOM 367 N LEU 46 18.703 19.757 24.378 1.00202.88 1SG 368 ATOM 368 CA LEU 46 18.474 20.468 25.602 1.00202.88 1SG 369 ATOM 369 CB LEU 46 18.438 21.898 25.015 1.00202.88 1SG 370 ATOM 370 CG LEU 46 19.157 23.075 25.676 1.00202.88 1SG 371 ATOM 371 CD2 LEU 46 18.800 24.388 24.960 1.00202.88 1SG 372 ATOM 372 CD1 LEU 46 20.671 22.864 25.814 1.00202.88 1SG 373 ATOM 373 C LEU 46 17.084 19.950 25.948 1.00202.88 1SG 374 ATOM 374 O LEU 46 16.446 19.851 24.910 1.00202.88 1SG 375 ATOM 375 N ILE 47 16.606 19.704 27.269 1.00163.62 1SG 376 ATOM 376 CA ILE 47 15.428 19.198 28.085 1.00163.62 1SG 377 ATOM 377 CB ILE 47 15.656 18.806 29.542 1.00163.62 1SG 378 ATOM 378 CG2 ILE 47 14.281 18.400 30.100 1.00163.62 1SG 379 ATOM 379 CG1 ILE 47 16.663 17.724 29.881 1.00163.62 1SG 380 ATOM 380 CD1 ILE 47 17.053 17.737 31.357 1.00163.62 1SG 381 ATOM 381 C ILE 47 14.392 20.198 28.552 1.00163.62 1SG 382 ATOM 382 O ILE 47 14.732 21.009 29.393 1.00163.62 1SG 383 ATOM 383 N GLY 48 13.078 20.103 28.223 1.00 74.77 1SG 384 ATOM 384 CA GLY 48 12.171 21.097 28.763 1.00 74.77 1SG 385 ATOM 385 C GLY 48 12.011 22.305 27.871 1.00 74.77 1SG 386 ATOM 386 O GLY 48 12.204 23.438 28.310 1.00 74.77 1SG 387 ATOM 387 N GLN 49 11.659 22.087 26.585 1.00198.79 1SG 388 ATOM 388 CA GLN 49 11.488 23.119 25.597 1.00198.79 1SG 389 ATOM 389 CB GLN 49 12.760 23.376 24.754 1.00198.79 1SG 390 ATOM 390 CG GLN 49 12.682 24.478 23.685 1.00198.79 1SG 391 ATOM 391 CD GLN 49 13.747 24.181 22.629 1.00198.79 1SG 392 ATOM 392 OE1 GLN 49 14.046 25.004 21.765 1.00198.79 1SG 393 ATOM 393 NE2 GLN 49 14.323 22.950 22.686 1.00198.79 1SG 394 ATOM 394 C GLN 49 10.492 22.567 24.629 1.00198.79 1SG 395 ATOM 395 O GLN 49 10.355 23.070 23.514 1.00198.79 1SG 396 ATOM 396 N ALA 50 9.745 21.524 25.043 1.00 69.02 1SG 397 ATOM 397 CA ALA 50 8.796 20.939 24.141 1.00 69.02 1SG 398 ATOM 398 CB ALA 50 7.963 19.803 24.746 1.00 69.02 1SG 399 ATOM 399 C ALA 50 7.856 22.033 23.811 1.00 69.02 1SG 400 ATOM 400 O ALA 50 7.748 22.990 24.574 1.00 69.02 1SG 401 ATOM 401 N ASP 51 7.214 21.972 22.630 1.00208.11 1SG 402 ATOM 402 CA ASP 51 6.366 23.080 22.331 1.00208.11 1SG 403 ATOM 403 CB ASP 51 7.093 24.085 21.414 1.00208.11 1SG 404 ATOM 404 CG ASP 51 6.924 25.489 21.989 1.00208.11 1SG 405 ATOM 405 OD1 ASP 51 6.946 25.605 23.243 1.00208.11 1SG 406 ATOM 406 OD2 ASP 51 6.821 26.464 21.199 1.00208.11 1SG 407 ATOM 407 C ASP 51 5.139 22.531 21.646 1.00208.11 1SG 408 ATOM 408 O ASP 51 5.209 22.114 20.491 1.00208.11 1SG 409 ATOM 409 N LEU 52 3.983 22.493 22.354 1.00357.03 1SG 410 ATOM 410 CA LEU 52 2.757 21.995 21.799 1.00357.03 1SG 411 ATOM 411 CB LEU 52 2.733 20.452 21.803 1.00357.03 1SG 412 ATOM 412 CG LEU 52 1.457 19.781 21.259 1.00357.03 1SG 413 ATOM 413 CD2 LEU 52 1.454 18.279 21.595 1.00357.03 1SG 414 ATOM 414 CD1 LEU 52 1.254 20.050 19.760 1.00357.03 1SG 415 ATOM 415 C LEU 52 1.564 22.459 22.611 1.00357.03 1SG 416 ATOM 416 O LEU 52 1.615 22.539 23.837 1.00357.03 1SG 417 ATOM 417 N VAL 53 0.471 22.814 21.898 1.00142.14 1SG 418 ATOM 418 CA VAL 53 -0.882 23.016 22.369 1.00142.14 1SG 419 ATOM 419 CB VAL 53 -1.536 24.393 22.408 1.00142.14 1SG 420 ATOM 420 CG1 VAL 53 -2.863 24.275 23.195 1.00142.14 1SG 421 ATOM 421 CG2 VAL 53 -0.634 25.476 22.970 1.00142.14 1SG 422 ATOM 422 C VAL 53 -1.481 22.521 21.112 1.00142.14 1SG 423 ATOM 423 O VAL 53 -0.916 21.616 20.497 1.00142.14 1SG 424 ATOM 424 N GLY 54 -2.655 23.024 20.708 1.00108.03 1SG 425 ATOM 425 CA GLY 54 -2.894 22.757 19.340 1.00108.03 1SG 426 ATOM 426 C GLY 54 -1.758 23.524 18.739 1.00108.03 1SG 427 ATOM 427 O GLY 54 -1.030 23.021 17.885 1.00108.03 1SG 428 ATOM 428 N VAL 55 -1.579 24.783 19.206 1.00166.98 1SG 429 ATOM 429 CA VAL 55 -0.471 25.560 18.738 1.00166.98 1SG 430 ATOM 430 CB VAL 55 -0.610 27.037 18.998 1.00166.98 1SG 431 ATOM 431 CG1 VAL 55 -1.807 27.550 18.180 1.00166.98 1SG 432 ATOM 432 CG2 VAL 55 -0.741 27.296 20.507 1.00166.98 1SG 433 ATOM 433 C VAL 55 0.855 25.082 19.275 1.00166.98 1SG 434 ATOM 434 O VAL 55 1.619 24.518 18.492 1.00166.98 1SG 435 ATOM 435 N GLU 56 1.136 25.192 20.614 1.00140.68 1SG 436 ATOM 436 CA GLU 56 2.487 24.869 21.029 1.00140.68 1SG 437 ATOM 437 CB GLU 56 3.501 25.585 20.128 1.00140.68 1SG 438 ATOM 438 CG GLU 56 4.744 24.783 19.800 1.00140.68 1SG 439 ATOM 439 CD GLU 56 5.588 25.654 18.894 1.00140.68 1SG 440 ATOM 440 OE1 GLU 56 5.115 26.773 18.558 1.00140.68 1SG 441 ATOM 441 OE2 GLU 56 6.716 25.224 18.535 1.00140.68 1SG 442 ATOM 442 C GLU 56 2.784 25.397 22.423 1.00140.68 1SG 443 ATOM 443 O GLU 56 1.991 26.092 23.047 1.00140.68 1SG 444 ATOM 444 N GLY 57 3.992 25.107 22.953 1.00 53.60 1SG 445 ATOM 445 CA GLY 57 4.387 25.651 24.225 1.00 53.60 1SG 446 ATOM 446 C GLY 57 3.697 24.993 25.386 1.00 53.60 1SG 447 ATOM 447 O GLY 57 2.631 25.430 25.817 1.00 53.60 1SG 448 ATOM 448 N PRO 58 4.267 23.917 25.868 1.00 78.95 1SG 449 ATOM 449 CA PRO 58 3.827 23.272 27.075 1.00 78.95 1SG 450 ATOM 450 CD PRO 58 4.976 22.999 25.012 1.00 78.95 1SG 451 ATOM 451 CB PRO 58 4.316 21.825 27.000 1.00 78.95 1SG 452 ATOM 452 CG PRO 58 5.411 21.848 25.925 1.00 78.95 1SG 453 ATOM 453 C PRO 58 4.469 24.036 28.185 1.00 78.95 1SG 454 ATOM 454 O PRO 58 5.328 24.871 27.906 1.00 78.95 1SG 455 ATOM 455 N PHE 59 4.076 23.790 29.446 1.00 42.89 1SG 456 ATOM 456 CA PHE 59 4.719 24.522 30.493 1.00 42.89 1SG 457 ATOM 457 CB PHE 59 3.755 25.133 31.518 1.00 42.89 1SG 458 ATOM 458 CG PHE 59 3.112 26.287 30.840 1.00 42.89 1SG 459 ATOM 459 CD1 PHE 59 2.091 26.086 29.942 1.00 42.89 1SG 460 ATOM 460 CD2 PHE 59 3.535 27.569 31.104 1.00 42.89 1SG 461 ATOM 461 CE1 PHE 59 1.498 27.154 29.314 1.00 42.89 1SG 462 ATOM 462 CE2 PHE 59 2.945 28.640 30.478 1.00 42.89 1SG 463 ATOM 463 CZ PHE 59 1.925 28.433 29.581 1.00 42.89 1SG 464 ATOM 464 C PHE 59 5.638 23.615 31.232 1.00 42.89 1SG 465 ATOM 465 O PHE 59 5.293 22.484 31.571 1.00 42.89 1SG 466 ATOM 466 N SER 60 6.868 24.102 31.469 1.00 69.85 1SG 467 ATOM 467 CA SER 60 7.825 23.360 32.227 1.00 69.85 1SG 468 ATOM 468 CB SER 60 9.274 23.590 31.761 1.00 69.85 1SG 469 ATOM 469 OG SER 60 10.176 22.828 32.550 1.00 69.85 1SG 470 ATOM 470 C SER 60 7.705 23.823 33.644 1.00 69.85 1SG 471 ATOM 471 O SER 60 6.929 24.727 33.950 1.00 69.85 1SG 472 ATOM 472 N VAL 61 8.460 23.184 34.556 1.00 44.41 1SG 473 ATOM 473 CA VAL 61 8.438 23.559 35.941 1.00 44.41 1SG 474 ATOM 474 CB VAL 61 8.824 22.433 36.849 1.00 44.41 1SG 475 ATOM 475 CG1 VAL 61 8.964 22.934 38.296 1.00 44.41 1SG 476 ATOM 476 CG2 VAL 61 7.722 21.375 36.703 1.00 44.41 1SG 477 ATOM 477 C VAL 61 9.398 24.690 36.119 1.00 44.41 1SG 478 ATOM 478 O VAL 61 10.304 24.878 35.311 1.00 44.41 1SG 479 ATOM 479 N GLU 62 9.187 25.508 37.169 1.00 74.72 1SG 480 ATOM 480 CA GLU 62 10.033 26.638 37.414 1.00 74.72 1SG 481 ATOM 481 CB GLU 62 9.581 27.496 38.605 1.00 74.72 1SG 482 ATOM 482 CG GLU 62 8.443 28.445 38.244 1.00 74.72 1SG 483 ATOM 483 CD GLU 62 9.023 29.427 37.237 1.00 74.72 1SG 484 ATOM 484 OE1 GLU 62 10.196 29.846 37.431 1.00 74.72 1SG 485 ATOM 485 OE2 GLU 62 8.310 29.760 36.253 1.00 74.72 1SG 486 ATOM 486 C GLU 62 11.422 26.184 37.704 1.00 74.72 1SG 487 ATOM 487 O GLU 62 12.384 26.761 37.200 1.00 74.72 1SG 488 ATOM 488 N GLU 63 11.565 25.120 38.513 1.00115.91 1SG 489 ATOM 489 CA GLU 63 12.871 24.663 38.882 1.00115.91 1SG 490 ATOM 490 CB GLU 63 12.789 23.439 39.812 1.00115.91 1SG 491 ATOM 491 CG GLU 63 13.984 22.498 39.757 1.00115.91 1SG 492 ATOM 492 CD GLU 63 13.964 21.416 40.835 1.00115.91 1SG 493 ATOM 493 OE1 GLU 63 13.333 20.362 40.600 1.00115.91 1SG 494 ATOM 494 OE2 GLU 63 14.654 21.570 41.873 1.00115.91 1SG 495 ATOM 495 C GLU 63 13.628 24.310 37.644 1.00115.91 1SG 496 ATOM 496 O GLU 63 14.758 24.757 37.467 1.00115.91 1SG 497 ATOM 497 N LEU 64 13.013 23.535 36.733 1.00 57.04 1SG 498 ATOM 498 CA LEU 64 13.701 23.121 35.543 1.00 57.04 1SG 499 ATOM 499 CB LEU 64 12.902 22.101 34.712 1.00 57.04 1SG 500 ATOM 500 CG LEU 64 13.670 21.573 33.484 1.00 57.04 1SG 501 ATOM 501 CD2 LEU 64 12.752 20.774 32.544 1.00 57.04 1SG 502 ATOM 502 CD1 LEU 64 14.914 20.776 33.911 1.00 57.04 1SG 503 ATOM 503 C LEU 64 13.978 24.308 34.670 1.00 57.04 1SG 504 ATOM 504 O LEU 64 15.041 24.392 34.060 1.00 57.04 1SG 505 ATOM 505 N LEU 65 13.013 25.243 34.558 1.00 50.42 1SG 506 ATOM 506 CA LEU 65 13.158 26.386 33.694 1.00 50.42 1SG 507 ATOM 507 CB LEU 65 11.871 27.220 33.596 1.00 50.42 1SG 508 ATOM 508 CG LEU 65 10.703 26.467 32.938 1.00 50.42 1SG 509 ATOM 509 CD2 LEU 65 11.121 25.884 31.579 1.00 50.42 1SG 510 ATOM 510 CD1 LEU 65 9.445 27.347 32.852 1.00 50.42 1SG 511 ATOM 511 C LEU 65 14.235 27.314 34.175 1.00 50.42 1SG 512 ATOM 512 O LEU 65 15.086 27.738 33.394 1.00 50.42 1SG 513 ATOM 513 N ALA 66 14.237 27.647 35.480 1.00 46.19 1SG 514 ATOM 514 CA ALA 66 15.211 28.575 35.984 1.00 46.19 1SG 515 ATOM 515 CB ALA 66 15.074 28.822 37.497 1.00 46.19 1SG 516 ATOM 516 C ALA 66 16.514 27.934 35.751 1.00 46.19 1SG 517 ATOM 517 O ALA 66 17.505 28.547 35.352 1.00 46.19 1SG 518 ATOM 518 N HIS 67 16.485 26.623 35.976 1.00137.96 1SG 519 ATOM 519 CA HIS 67 17.605 25.785 35.855 1.00137.96 1SG 520 ATOM 520 ND1 HIS 67 19.293 24.298 37.553 1.00137.96 1SG 521 ATOM 521 CG HIS 67 18.332 23.639 36.838 1.00137.96 1SG 522 ATOM 522 CB HIS 67 17.183 24.363 36.256 1.00137.96 1SG 523 ATOM 523 NE2 HIS 67 19.950 22.178 37.407 1.00137.96 1SG 524 ATOM 524 CD2 HIS 67 18.748 22.345 36.764 1.00137.96 1SG 525 ATOM 525 CE1 HIS 67 20.232 23.378 37.858 1.00137.96 1SG 526 ATOM 526 C HIS 67 18.042 25.881 34.427 1.00137.96 1SG 527 ATOM 527 O HIS 67 19.224 26.100 34.192 1.00137.96 1SG 528 ATOM 528 N GLN 68 17.098 25.894 33.455 1.00140.58 1SG 529 ATOM 529 CA GLN 68 17.366 25.755 32.039 1.00140.58 1SG 530 ATOM 530 CB GLN 68 16.235 26.248 31.109 1.00140.58 1SG 531 ATOM 531 CG GLN 68 16.743 26.348 29.656 1.00140.58 1SG 532 ATOM 532 CD GLN 68 15.694 26.953 28.729 1.00140.58 1SG 533 ATOM 533 OE1 GLN 68 15.807 26.861 27.507 1.00140.58 1SG 534 ATOM 534 NE2 GLN 68 14.633 27.561 29.321 1.00140.58 1SG 535 ATOM 535 C GLN 68 18.460 26.656 31.647 1.00140.58 1SG 536 ATOM 536 O GLN 68 19.295 26.317 30.810 1.00140.58 1SG 537 ATOM 537 N GLU 69 18.474 27.828 32.276 1.00 83.21 1SG 538 ATOM 538 CA GLU 69 19.408 28.832 31.930 1.00 83.21 1SG 539 ATOM 539 CB GLU 69 19.188 30.002 32.909 1.00 83.21 1SG 540 ATOM 540 CG GLU 69 19.283 31.416 32.339 1.00 83.21 1SG 541 ATOM 541 CD GLU 69 18.358 32.267 33.215 1.00 83.21 1SG 542 ATOM 542 OE1 GLU 69 17.480 31.662 33.888 1.00 83.21 1SG 543 ATOM 543 OE2 GLU 69 18.503 33.518 33.219 1.00 83.21 1SG 544 ATOM 544 C GLU 69 20.790 28.234 32.065 1.00 83.21 1SG 545 ATOM 545 O GLU 69 21.578 28.293 31.124 1.00 83.21 1SG 546 ATOM 546 N LYS 70 21.114 27.609 33.220 1.00 92.79 1SG 547 ATOM 547 CA LYS 70 22.442 27.083 33.439 1.00 92.79 1SG 548 ATOM 548 CB LYS 70 22.644 26.753 34.927 1.00 92.79 1SG 549 ATOM 549 CG LYS 70 22.442 27.990 35.810 1.00 92.79 1SG 550 ATOM 550 CD LYS 70 22.183 27.686 37.287 1.00 92.79 1SG 551 ATOM 551 CE LYS 70 21.774 28.920 38.096 1.00 92.79 1SG 552 ATOM 552 NZ LYS 70 21.344 28.520 39.454 1.00 92.79 1SG 553 ATOM 553 C LYS 70 22.861 25.872 32.602 1.00 92.79 1SG 554 ATOM 554 O LYS 70 23.559 26.041 31.604 1.00 92.79 1SG 555 ATOM 555 N HIS 71 22.419 24.624 32.948 1.00165.26 1SG 556 ATOM 556 CA HIS 71 22.820 23.365 32.294 1.00165.26 1SG 557 ATOM 557 ND1 HIS 71 24.713 24.041 34.733 1.00165.26 1SG 558 ATOM 558 CG HIS 71 25.001 23.972 33.388 1.00165.26 1SG 559 ATOM 559 CB HIS 71 24.311 23.021 32.460 1.00165.26 1SG 560 ATOM 560 NE2 HIS 71 26.229 25.614 34.327 1.00165.26 1SG 561 ATOM 561 CD2 HIS 71 25.931 24.937 33.156 1.00165.26 1SG 562 ATOM 562 CE1 HIS 71 25.473 25.040 35.245 1.00165.26 1SG 563 ATOM 563 C HIS 71 22.183 22.311 33.164 1.00165.26 1SG 564 ATOM 564 O HIS 71 22.600 22.178 34.314 1.00165.26 1SG 565 ATOM 565 N LEU 72 21.213 21.489 32.694 1.00311.27 1SG 566 ATOM 566 CA LEU 72 20.397 20.974 33.775 1.00311.27 1SG 567 ATOM 567 CB LEU 72 19.178 21.876 33.894 1.00311.27 1SG 568 ATOM 568 CG LEU 72 19.481 23.396 33.912 1.00311.27 1SG 569 ATOM 569 CD2 LEU 72 19.715 23.975 32.513 1.00311.27 1SG 570 ATOM 570 CD1 LEU 72 20.546 23.862 34.925 1.00311.27 1SG 571 ATOM 571 C LEU 72 19.827 19.568 33.637 1.00311.27 1SG 572 ATOM 572 O LEU 72 19.915 18.947 32.579 1.00311.27 1SG 573 ATOM 573 N ALA 73 19.209 19.049 34.757 1.00130.51 1SG 574 ATOM 574 CA ALA 73 18.488 17.782 34.847 1.00130.51 1SG 575 ATOM 575 CB ALA 73 19.347 16.508 34.793 1.00130.51 1SG 576 ATOM 576 C ALA 73 17.553 17.753 36.060 1.00130.51 1SG 577 ATOM 577 O ALA 73 17.451 18.732 36.796 1.00130.51 1SG 578 ATOM 578 N GLU 74 16.820 16.616 36.263 1.00189.99 1SG 579 ATOM 579 CA GLU 74 15.658 16.524 37.137 1.00189.99 1SG 580 ATOM 580 CB GLU 74 15.054 15.110 37.083 1.00189.99 1SG 581 ATOM 581 CG GLU 74 13.647 14.986 37.665 1.00189.99 1SG 582 ATOM 582 CD GLU 74 13.633 13.670 38.425 1.00189.99 1SG 583 ATOM 583 OE1 GLU 74 13.893 12.610 37.795 1.00189.99 1SG 584 ATOM 584 OE2 GLU 74 13.391 13.715 39.661 1.00189.99 1SG 585 ATOM 585 C GLU 74 15.753 16.866 38.624 1.00189.99 1SG 586 ATOM 586 O GLU 74 16.136 17.966 38.990 1.00189.99 1SG 587 ATOM 587 N GLU 75 15.515 15.900 39.552 1.00176.84 1SG 588 ATOM 588 CA GLU 75 15.259 16.376 40.903 1.00176.84 1SG 589 ATOM 589 CB GLU 75 14.414 15.429 41.777 1.00176.84 1SG 590 ATOM 590 CG GLU 75 14.430 15.815 43.266 1.00176.84 1SG 591 ATOM 591 CD GLU 75 13.912 17.240 43.456 1.00176.84 1SG 592 ATOM 592 OE1 GLU 75 13.566 17.895 42.440 1.00176.84 1SG 593 ATOM 593 OE2 GLU 75 13.864 17.701 44.627 1.00176.84 1SG 594 ATOM 594 C GLU 75 16.427 16.751 41.743 1.00176.84 1SG 595 ATOM 595 O GLU 75 16.638 17.922 42.055 1.00176.84 1SG 596 ATOM 596 N ALA 76 17.233 15.742 42.111 1.00 46.02 1SG 597 ATOM 597 CA ALA 76 18.348 15.960 42.980 1.00 46.02 1SG 598 ATOM 598 CB ALA 76 19.085 14.661 43.345 1.00 46.02 1SG 599 ATOM 599 C ALA 76 19.252 16.793 42.176 1.00 46.02 1SG 600 ATOM 600 O ALA 76 19.974 17.662 42.662 1.00 46.02 1SG 601 ATOM 601 N PHE 77 19.171 16.502 40.877 1.00137.15 1SG 602 ATOM 602 CA PHE 77 19.955 17.055 39.836 1.00137.15 1SG 603 ATOM 603 CB PHE 77 19.405 16.536 38.507 1.00137.15 1SG 604 ATOM 604 CG PHE 77 20.504 16.417 37.527 1.00137.15 1SG 605 ATOM 605 CD1 PHE 77 21.058 17.525 36.936 1.00137.15 1SG 606 ATOM 606 CD2 PHE 77 20.996 15.165 37.235 1.00137.15 1SG 607 ATOM 607 CE1 PHE 77 22.075 17.368 36.026 1.00137.15 1SG 608 ATOM 608 CE2 PHE 77 22.013 15.005 36.329 1.00137.15 1SG 609 ATOM 609 CZ PHE 77 22.548 16.113 35.719 1.00137.15 1SG 610 ATOM 610 C PHE 77 19.730 18.538 39.880 1.00137.15 1SG 611 ATOM 611 O PHE 77 20.683 19.313 39.874 1.00137.15 1SG 612 ATOM 612 N LEU 78 18.450 18.964 39.938 1.00 88.53 1SG 613 ATOM 613 CA LEU 78 18.075 20.354 39.982 1.00 88.53 1SG 614 ATOM 614 CB LEU 78 16.551 20.554 39.787 1.00 88.53 1SG 615 ATOM 615 CG LEU 78 16.026 20.582 38.313 1.00 88.53 1SG 616 ATOM 616 CD2 LEU 78 16.007 21.991 37.726 1.00 88.53 1SG 617 ATOM 617 CD1 LEU 78 14.583 20.072 38.192 1.00 88.53 1SG 618 ATOM 618 C LEU 78 18.548 20.993 41.262 1.00 88.53 1SG 619 ATOM 619 O LEU 78 19.066 22.106 41.224 1.00 88.53 1SG 620 ATOM 620 N ARG 79 18.413 20.335 42.435 1.00108.35 1SG 621 ATOM 621 CA ARG 79 18.863 21.031 43.616 1.00108.35 1SG 622 ATOM 622 CB ARG 79 18.684 20.276 44.956 1.00108.35 1SG 623 ATOM 623 CG ARG 79 19.278 21.061 46.144 1.00108.35 1SG 624 ATOM 624 CD ARG 79 19.456 20.283 47.458 1.00108.35 1SG 625 ATOM 625 NE ARG 79 20.198 21.173 48.406 1.00108.35 1SG 626 ATOM 626 CZ ARG 79 20.367 20.837 49.721 1.00108.35 1SG 627 ATOM 627 NH1 ARG 79 19.840 19.678 50.212 1.00108.35 1SG 628 ATOM 628 NH2 ARG 79 21.069 21.664 50.551 1.00108.35 1SG 629 ATOM 629 C ARG 79 20.332 21.275 43.515 1.00108.35 1SG 630 ATOM 630 O ARG 79 20.796 22.396 43.707 1.00108.35 1SG 631 ATOM 631 N ALA 80 21.106 20.220 43.202 1.00 33.69 1SG 632 ATOM 632 CA ALA 80 22.533 20.353 43.192 1.00 33.69 1SG 633 ATOM 633 CB ALA 80 23.250 19.008 42.994 1.00 33.69 1SG 634 ATOM 634 C ALA 80 22.986 21.278 42.107 1.00 33.69 1SG 635 ATOM 635 O ALA 80 23.784 22.182 42.347 1.00 33.69 1SG 636 ATOM 636 N TYR 81 22.466 21.088 40.881 1.00125.80 1SG 637 ATOM 637 CA TYR 81 22.894 21.874 39.759 1.00125.80 1SG 638 ATOM 638 CB TYR 81 22.446 21.267 38.398 1.00125.80 1SG 639 ATOM 639 CG TYR 81 23.243 20.016 38.069 1.00125.80 1SG 640 ATOM 640 CD1 TYR 81 23.201 18.894 38.871 1.00125.80 1SG 641 ATOM 641 CD2 TYR 81 24.009 19.930 36.920 1.00125.80 1SG 642 ATOM 642 CE1 TYR 81 23.913 17.752 38.564 1.00125.80 1SG 643 ATOM 643 CE2 TYR 81 24.725 18.792 36.602 1.00125.80 1SG 644 ATOM 644 CZ TYR 81 24.684 17.694 37.427 1.00125.80 1SG 645 ATOM 645 OH TYR 81 25.414 16.525 37.110 1.00125.80 1SG 646 ATOM 646 C TYR 81 22.461 23.301 39.943 1.00125.80 1SG 647 ATOM 647 O TYR 81 23.178 24.231 39.578 1.00125.80 1SG 648 ATOM 648 N ALA 82 21.245 23.518 40.474 1.00 58.71 1SG 649 ATOM 649 CA ALA 82 20.717 24.846 40.614 1.00 58.71 1SG 650 ATOM 650 CB ALA 82 19.214 24.879 40.901 1.00 58.71 1SG 651 ATOM 651 C ALA 82 21.412 25.489 41.749 1.00 58.71 1SG 652 ATOM 652 O ALA 82 21.710 26.682 41.738 1.00 58.71 1SG 653 ATOM 653 N LYS 83 21.711 24.655 42.757 1.00 58.15 1SG 654 ATOM 654 CA LYS 83 22.185 25.121 44.015 1.00 58.15 1SG 655 ATOM 655 CB LYS 83 23.366 26.101 43.909 1.00 58.15 1SG 656 ATOM 656 CG LYS 83 24.676 25.444 43.467 1.00 58.15 1SG 657 ATOM 657 CD LYS 83 25.805 26.451 43.233 1.00 58.15 1SG 658 ATOM 658 CE LYS 83 27.181 25.808 43.054 1.00 58.15 1SG 659 ATOM 659 NZ LYS 83 28.225 26.858 43.032 1.00 58.15 1SG 660 ATOM 660 C LYS 83 21.024 25.816 44.645 1.00 58.15 1SG 661 ATOM 661 O LYS 83 21.189 26.666 45.518 1.00 58.15 1SG 662 ATOM 662 N ASP 84 19.801 25.445 44.209 1.00 38.79 1SG 663 ATOM 663 CA ASP 84 18.600 25.989 44.776 1.00 38.79 1SG 664 ATOM 664 CB ASP 84 17.612 26.536 43.732 1.00 38.79 1SG 665 ATOM 665 CG ASP 84 16.489 27.231 44.488 1.00 38.79 1SG 666 ATOM 666 OD1 ASP 84 16.590 27.313 45.741 1.00 38.79 1SG 667 ATOM 667 OD2 ASP 84 15.517 27.687 43.830 1.00 38.79 1SG 668 ATOM 668 C ASP 84 17.906 24.872 45.493 1.00 38.79 1SG 669 ATOM 669 O ASP 84 17.361 23.960 44.873 1.00 38.79 1SG 670 ATOM 670 N GLU 85 17.912 24.925 46.838 1.00 71.97 1SG 671 ATOM 671 CA GLU 85 17.316 23.900 47.647 1.00 71.97 1SG 672 ATOM 672 CB GLU 85 17.604 24.111 49.147 1.00 71.97 1SG 673 ATOM 673 CG GLU 85 17.002 23.051 50.070 1.00 71.97 1SG 674 ATOM 674 CD GLU 85 17.389 23.422 51.496 1.00 71.97 1SG 675 ATOM 675 OE1 GLU 85 18.058 24.475 51.671 1.00 71.97 1SG 676 ATOM 676 OE2 GLU 85 17.021 22.659 52.429 1.00 71.97 1SG 677 ATOM 677 C GLU 85 15.827 23.867 47.438 1.00 71.97 1SG 678 ATOM 678 O GLU 85 15.249 22.788 47.316 1.00 71.97 1SG 679 ATOM 679 N PRO 86 15.177 25.001 47.388 1.00100.13 1SG 680 ATOM 680 CA PRO 86 13.747 25.030 47.205 1.00100.13 1SG 681 ATOM 681 CD PRO 86 15.631 26.163 48.136 1.00100.13 1SG 682 ATOM 682 CB PRO 86 13.280 26.416 47.660 1.00100.13 1SG 683 ATOM 683 CG PRO 86 14.571 27.231 47.845 1.00100.13 1SG 684 ATOM 684 C PRO 86 13.318 24.687 45.818 1.00100.13 1SG 685 ATOM 685 O PRO 86 12.117 24.608 45.569 1.00100.13 1SG 686 ATOM 686 N LEU 87 14.273 24.469 44.907 1.00141.53 1SG 687 ATOM 687 CA LEU 87 14.001 24.263 43.516 1.00141.53 1SG 688 ATOM 688 CB LEU 87 15.364 24.004 42.846 1.00141.53 1SG 689 ATOM 689 CG LEU 87 15.481 24.403 41.373 1.00141.53 1SG 690 ATOM 690 CD2 LEU 87 16.578 23.596 40.664 1.00141.53 1SG 691 ATOM 691 CD1 LEU 87 15.615 25.927 41.213 1.00141.53 1SG 692 ATOM 692 C LEU 87 13.017 23.093 43.444 1.00141.53 1SG 693 ATOM 693 O LEU 87 13.133 22.154 44.230 1.00141.53 1SG 694 ATOM 694 N TYR 88 12.014 23.116 42.513 1.00131.70 1SG 695 ATOM 695 CA TYR 88 10.902 22.164 42.525 1.00131.70 1SG 696 ATOM 696 CB TYR 88 9.547 22.907 42.530 1.00131.70 1SG 697 ATOM 697 CG TYR 88 9.451 23.908 43.647 1.00131.70 1SG 698 ATOM 698 CD1 TYR 88 10.097 25.124 43.568 1.00131.70 1SG 699 ATOM 699 CD2 TYR 88 8.681 23.654 44.760 1.00131.70 1SG 700 ATOM 700 CE1 TYR 88 10.001 26.052 44.583 1.00131.70 1SG 701 ATOM 701 CE2 TYR 88 8.580 24.576 45.780 1.00131.70 1SG 702 ATOM 702 CZ TYR 88 9.240 25.779 45.695 1.00131.70 1SG 703 ATOM 703 OH TYR 88 9.135 26.723 46.739 1.00131.70 1SG 704 ATOM 704 C TYR 88 10.845 21.288 41.268 1.00131.70 1SG 705 ATOM 705 O TYR 88 10.666 21.799 40.165 1.00131.70 1SG 706 ATOM 706 N ALA 89 10.885 19.929 41.381 1.00 74.79 1SG 707 ATOM 707 CA ALA 89 10.960 19.119 40.170 1.00 74.79 1SG 708 ATOM 708 CB ALA 89 12.004 17.992 40.202 1.00 74.79 1SG 709 ATOM 709 C ALA 89 9.664 18.472 39.834 1.00 74.79 1SG 710 ATOM 710 O ALA 89 8.963 17.963 40.709 1.00 74.79 1SG 711 ATOM 711 N TRP 90 9.351 18.444 38.516 1.00325.17 1SG 712 ATOM 712 CA TRP 90 8.030 18.030 38.177 1.00325.17 1SG 713 ATOM 713 CB TRP 90 7.280 19.200 38.947 1.00325.17 1SG 714 ATOM 714 CG TRP 90 5.864 19.377 39.541 1.00325.17 1SG 715 ATOM 715 CD2 TRP 90 5.173 18.571 40.528 1.00325.17 1SG 716 ATOM 716 CD1 TRP 90 5.015 20.417 39.279 1.00325.17 1SG 717 ATOM 717 NE1 TRP 90 3.849 20.291 39.976 1.00325.17 1SG 718 ATOM 718 CE2 TRP 90 3.926 19.168 40.755 1.00325.17 1SG 719 ATOM 719 CE3 TRP 90 5.509 17.409 41.166 1.00325.17 1SG 720 ATOM 720 CZ2 TRP 90 3.013 18.623 41.612 1.00325.17 1SG 721 ATOM 721 CZ3 TRP 90 4.589 16.881 42.053 1.00325.17 1SG 722 ATOM 722 CH2 TRP 90 3.361 17.471 42.274 1.00325.17 1SG 723 ATOM 723 C TRP 90 8.074 17.896 36.619 1.00325.17 1SG 724 ATOM 724 O TRP 90 8.419 18.835 35.903 1.00325.17 1SG 725 ATOM 725 N VAL 91 7.818 16.652 36.102 1.00141.25 1SG 726 ATOM 726 CA VAL 91 7.687 15.970 34.816 1.00141.25 1SG 727 ATOM 727 CB VAL 91 8.464 14.707 34.858 1.00141.25 1SG 728 ATOM 728 CG1 VAL 91 7.641 13.574 34.249 1.00141.25 1SG 729 ATOM 729 CG2 VAL 91 9.832 14.988 34.229 1.00141.25 1SG 730 ATOM 730 C VAL 91 6.219 15.659 34.568 1.00141.25 1SG 731 ATOM 731 O VAL 91 5.548 15.008 35.367 1.00141.25 1SG 732 ATOM 732 N LEU 92 5.730 15.983 33.340 1.00288.34 1SG 733 ATOM 733 CA LEU 92 4.386 16.492 33.365 1.00288.34 1SG 734 ATOM 734 CB LEU 92 3.213 15.830 34.160 1.00288.34 1SG 735 ATOM 735 CG LEU 92 1.835 16.604 34.029 1.00288.34 1SG 736 ATOM 736 CD2 LEU 92 2.001 18.122 33.873 1.00288.34 1SG 737 ATOM 737 CD1 LEU 92 0.800 16.301 35.136 1.00288.34 1SG 738 ATOM 738 C LEU 92 4.875 17.448 34.359 1.00288.34 1SG 739 ATOM 739 O LEU 92 5.771 18.251 34.075 1.00288.34 1SG 740 ATOM 740 N GLU 93 4.203 17.493 35.506 1.00336.81 1SG 741 ATOM 741 CA GLU 93 4.848 18.005 36.658 1.00336.81 1SG 742 ATOM 742 CB GLU 93 5.314 19.477 36.589 1.00336.81 1SG 743 ATOM 743 CG GLU 93 4.310 20.627 36.396 1.00336.81 1SG 744 ATOM 744 CD GLU 93 3.763 20.837 34.976 1.00336.81 1SG 745 ATOM 745 OE1 GLU 93 3.974 20.009 34.056 1.00336.81 1SG 746 ATOM 746 OE2 GLU 93 3.080 21.882 34.808 1.00336.81 1SG 747 ATOM 747 C GLU 93 5.006 17.000 37.845 1.00336.81 1SG 748 ATOM 748 O GLU 93 4.124 16.941 38.692 1.00336.81 1SG 749 ATOM 749 N ASN 94 5.912 15.991 37.722 1.00175.11 1SG 750 ATOM 750 CA ASN 94 6.471 14.807 38.386 1.00175.11 1SG 751 ATOM 751 CB ASN 94 7.742 14.326 37.658 1.00175.11 1SG 752 ATOM 752 CG ASN 94 8.664 13.451 38.501 1.00175.11 1SG 753 ATOM 753 OD1 ASN 94 9.483 13.910 39.296 1.00175.11 1SG 754 ATOM 754 ND2 ASN 94 8.559 12.118 38.277 1.00175.11 1SG 755 ATOM 755 C ASN 94 6.954 14.840 39.811 1.00175.11 1SG 756 ATOM 756 O ASN 94 7.793 15.651 40.203 1.00175.11 1SG 757 ATOM 757 N ALA 95 6.358 13.945 40.636 1.00 72.93 1SG 758 ATOM 758 CA ALA 95 6.853 13.510 41.922 1.00 72.93 1SG 759 ATOM 759 CB ALA 95 5.744 12.924 42.814 1.00 72.93 1SG 760 ATOM 760 C ALA 95 7.905 12.418 41.773 1.00 72.93 1SG 761 ATOM 761 O ALA 95 8.931 12.410 42.452 1.00 72.93 1SG 762 ATOM 762 N PHE 96 7.639 11.485 40.826 1.00159.40 1SG 763 ATOM 763 CA PHE 96 8.218 10.182 40.533 1.00159.40 1SG 764 ATOM 764 CB PHE 96 7.560 9.623 39.246 1.00159.40 1SG 765 ATOM 765 CG PHE 96 7.811 8.183 38.927 1.00159.40 1SG 766 ATOM 766 CD1 PHE 96 8.884 7.820 38.150 1.00159.40 1SG 767 ATOM 767 CD2 PHE 96 6.952 7.197 39.365 1.00159.40 1SG 768 ATOM 768 CE1 PHE 96 9.111 6.501 37.830 1.00159.40 1SG 769 ATOM 769 CE2 PHE 96 7.174 5.875 39.047 1.00159.40 1SG 770 ATOM 770 CZ PHE 96 8.257 5.524 38.278 1.00159.40 1SG 771 ATOM 771 C PHE 96 9.725 10.166 40.394 1.00159.40 1SG 772 ATOM 772 O PHE 96 10.352 11.142 39.984 1.00159.40 1SG 773 ATOM 773 N ARG 97 10.339 9.019 40.790 1.00 93.79 1SG 774 ATOM 774 CA ARG 97 11.762 8.771 40.713 1.00 93.79 1SG 775 ATOM 775 CB ARG 97 12.431 8.752 42.099 1.00 93.79 1SG 776 ATOM 776 CG ARG 97 12.150 9.999 42.936 1.00 93.79 1SG 777 ATOM 777 CD ARG 97 12.440 9.819 44.429 1.00 93.79 1SG 778 ATOM 778 NE ARG 97 12.090 11.104 45.097 1.00 93.79 1SG 779 ATOM 779 CZ ARG 97 11.685 11.128 46.401 1.00 93.79 1SG 780 ATOM 780 NH1 ARG 97 11.612 9.971 47.122 1.00 93.79 1SG 781 ATOM 781 NH2 ARG 97 11.348 12.316 46.982 1.00 93.79 1SG 782 ATOM 782 C ARG 97 11.916 7.360 40.201 1.00 93.79 1SG 783 ATOM 783 O ARG 97 11.073 6.512 40.488 1.00 93.79 1SG 784 ATOM 784 N TYR 98 12.982 7.050 39.422 1.00119.41 1SG 785 ATOM 785 CA TYR 98 13.105 5.684 38.971 1.00119.41 1SG 786 ATOM 786 CB TYR 98 13.143 5.565 37.432 1.00119.41 1SG 787 ATOM 787 CG TYR 98 12.670 4.210 37.007 1.00119.41 1SG 788 ATOM 788 CD1 TYR 98 11.334 3.902 37.137 1.00119.41 1SG 789 ATOM 789 CD2 TYR 98 13.506 3.268 36.449 1.00119.41 1SG 790 ATOM 790 CE1 TYR 98 10.837 2.680 36.750 1.00119.41 1SG 791 ATOM 791 CE2 TYR 98 13.013 2.041 36.058 1.00119.41 1SG 792 ATOM 792 CZ TYR 98 11.680 1.742 36.209 1.00119.41 1SG 793 ATOM 793 OH TYR 98 11.175 0.486 35.809 1.00119.41 1SG 794 ATOM 794 C TYR 98 14.406 5.170 39.528 1.00119.41 1SG 795 ATOM 795 O TYR 98 15.482 5.522 39.047 1.00119.41 1SG 796 ATOM 796 N GLU 99 14.319 4.329 40.581 1.00 82.33 1SG 797 ATOM 797 CA GLU 99 15.458 3.829 41.306 1.00 82.33 1SG 798 ATOM 798 CB GLU 99 15.063 3.173 42.643 1.00 82.33 1SG 799 ATOM 799 CG GLU 99 16.260 2.726 43.489 1.00 82.33 1SG 800 ATOM 800 CD GLU 99 15.732 2.121 44.784 1.00 82.33 1SG 801 ATOM 801 OE1 GLU 99 14.484 2.082 44.954 1.00 82.33 1SG 802 ATOM 802 OE2 GLU 99 16.570 1.692 45.621 1.00 82.33 1SG 803 ATOM 803 C GLU 99 16.286 2.824 40.554 1.00 82.33 1SG 804 ATOM 804 O GLU 99 17.512 2.929 40.539 1.00 82.33 1SG 805 ATOM 805 N LYS 100 15.660 1.827 39.897 1.00 81.38 1SG 806 ATOM 806 CA LYS 100 16.470 0.776 39.341 1.00 81.38 1SG 807 ATOM 807 CB LYS 100 16.185 -0.581 40.021 1.00 81.38 1SG 808 ATOM 808 CG LYS 100 14.767 -1.113 39.812 1.00 81.38 1SG 809 ATOM 809 CD LYS 100 14.618 -2.583 40.212 1.00 81.38 1SG 810 ATOM 810 CE LYS 100 13.206 -3.139 40.023 1.00 81.38 1SG 811 ATOM 811 NZ LYS 100 13.170 -4.565 40.418 1.00 81.38 1SG 812 ATOM 812 C LYS 100 16.220 0.668 37.866 1.00 81.38 1SG 813 ATOM 813 O LYS 100 15.102 0.906 37.416 1.00 81.38 1SG 814 ATOM 814 N PRO 101 17.247 0.283 37.123 1.00 98.64 1SG 815 ATOM 815 CA PRO 101 17.089 0.254 35.696 1.00 98.64 1SG 816 ATOM 816 CD PRO 101 17.717 -1.043 37.475 1.00 98.64 1SG 817 ATOM 817 CB PRO 101 16.473 -1.110 35.376 1.00 98.64 1SG 818 ATOM 818 CG PRO 101 16.829 -1.967 36.615 1.00 98.64 1SG 819 ATOM 819 C PRO 101 16.420 1.445 35.096 1.00 98.64 1SG 820 ATOM 820 O PRO 101 16.313 2.481 35.806 1.00 98.64 1SG 821 ATOM 821 OXT PRO 101 16.020 1.365 33.904 1.00 98.64 1SG 822 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.514 REMARK SCORE 0.514 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 19 PARENT 1IHK_A ATOM 1 N ARG 3 -5.591 72.100 18.617 1.00108.23 1SG 2 ATOM 2 CA ARG 3 -7.035 72.044 18.280 1.00108.23 1SG 3 ATOM 3 CB ARG 3 -7.823 71.286 19.359 1.00108.23 1SG 4 ATOM 4 CG ARG 3 -9.171 70.793 18.827 1.00108.23 1SG 5 ATOM 5 CD ARG 3 -9.010 69.670 17.797 1.00108.23 1SG 6 ATOM 6 NE ARG 3 -10.334 69.413 17.166 1.00108.23 1SG 7 ATOM 7 CZ ARG 3 -10.711 70.126 16.064 1.00108.23 1SG 8 ATOM 8 NH1 ARG 3 -9.893 71.098 15.567 1.00108.23 1SG 9 ATOM 9 NH2 ARG 3 -11.905 69.864 15.456 1.00108.23 1SG 10 ATOM 10 C ARG 3 -7.638 73.406 18.112 1.00108.23 1SG 11 ATOM 11 O ARG 3 -8.483 73.604 17.240 1.00108.23 1SG 12 ATOM 12 N PRO 4 -7.232 74.362 18.908 1.00 78.53 1SG 13 ATOM 13 CA PRO 4 -7.726 75.693 18.722 1.00 78.53 1SG 14 ATOM 14 CD PRO 4 -6.949 74.123 20.314 1.00 78.53 1SG 15 ATOM 15 CB PRO 4 -7.365 76.480 19.986 1.00 78.53 1SG 16 ATOM 16 CG PRO 4 -6.523 75.505 20.828 1.00 78.53 1SG 17 ATOM 17 C PRO 4 -7.189 76.256 17.449 1.00 78.53 1SG 18 ATOM 18 O PRO 4 -7.614 77.344 17.066 1.00 78.53 1SG 19 ATOM 19 N LYS 5 -6.280 75.523 16.769 1.00 96.19 1SG 20 ATOM 20 CA LYS 5 -5.708 75.973 15.528 1.00 96.19 1SG 21 ATOM 21 CB LYS 5 -6.807 76.516 14.579 1.00 96.19 1SG 22 ATOM 22 CG LYS 5 -6.354 76.973 13.187 1.00 96.19 1SG 23 ATOM 23 CD LYS 5 -7.515 77.438 12.297 1.00 96.19 1SG 24 ATOM 24 CE LYS 5 -7.086 78.039 10.956 1.00 96.19 1SG 25 ATOM 25 NZ LYS 5 -8.252 78.657 10.281 1.00 96.19 1SG 26 ATOM 26 C LYS 5 -4.707 77.065 15.790 1.00 96.19 1SG 27 ATOM 27 O LYS 5 -4.458 77.908 14.930 1.00 96.19 1SG 28 ATOM 28 N LEU 6 -4.111 77.087 17.000 1.00 99.65 1SG 29 ATOM 29 CA LEU 6 -3.099 78.063 17.324 1.00 99.65 1SG 30 ATOM 30 CB LEU 6 -3.652 79.191 18.215 1.00 99.65 1SG 31 ATOM 31 CG LEU 6 -4.628 80.177 17.546 1.00 99.65 1SG 32 ATOM 32 CD2 LEU 6 -5.878 79.472 17.007 1.00 99.65 1SG 33 ATOM 33 CD1 LEU 6 -3.919 81.030 16.487 1.00 99.65 1SG 34 ATOM 34 C LEU 6 -1.950 77.317 17.984 1.00 99.65 1SG 35 ATOM 35 O LEU 6 -2.114 76.153 18.344 1.00 99.65 1SG 36 ATOM 36 N GLY 7 -0.743 77.929 18.143 1.00 37.72 1SG 37 ATOM 37 CA GLY 7 0.386 77.172 18.670 1.00 37.72 1SG 38 ATOM 38 C GLY 7 0.949 77.784 19.944 1.00 37.72 1SG 39 ATOM 39 O GLY 7 0.757 78.965 20.210 1.00 37.72 1SG 40 ATOM 40 N LEU 8 1.709 76.995 20.753 1.00131.98 1SG 41 ATOM 41 CA LEU 8 2.255 77.389 22.047 1.00131.98 1SG 42 ATOM 42 CB LEU 8 2.650 76.200 22.922 1.00131.98 1SG 43 ATOM 43 CG LEU 8 1.446 75.423 23.457 1.00131.98 1SG 44 ATOM 44 CD2 LEU 8 1.897 74.315 24.413 1.00131.98 1SG 45 ATOM 45 CD1 LEU 8 0.569 74.895 22.315 1.00131.98 1SG 46 ATOM 46 C LEU 8 3.492 78.216 21.915 1.00131.98 1SG 47 ATOM 47 O LEU 8 4.235 78.068 20.947 1.00131.98 1SG 48 ATOM 48 N ILE 9 3.743 79.116 22.901 1.00129.63 1SG 49 ATOM 49 CA ILE 9 4.964 79.870 22.828 1.00129.63 1SG 50 ATOM 50 CB ILE 9 4.766 81.184 22.111 1.00129.63 1SG 51 ATOM 51 CG2 ILE 9 4.243 82.244 23.109 1.00129.63 1SG 52 ATOM 52 CG1 ILE 9 6.066 81.622 21.432 1.00129.63 1SG 53 ATOM 53 CD1 ILE 9 5.865 82.748 20.401 1.00129.63 1SG 54 ATOM 54 C ILE 9 5.430 80.172 24.226 1.00129.63 1SG 55 ATOM 55 O ILE 9 4.609 80.208 25.140 1.00129.63 1SG 56 ATOM 56 N VAL 10 6.769 80.340 24.421 1.00190.37 1SG 57 ATOM 57 CA VAL 10 7.390 80.787 25.650 1.00190.37 1SG 58 ATOM 58 CB VAL 10 8.496 79.874 26.142 1.00190.37 1SG 59 ATOM 59 CG1 VAL 10 9.814 80.144 25.373 1.00190.37 1SG 60 ATOM 60 CG2 VAL 10 8.538 79.967 27.681 1.00190.37 1SG 61 ATOM 61 C VAL 10 7.969 82.107 25.187 1.00190.37 1SG 62 ATOM 62 O VAL 10 8.502 82.180 24.087 1.00190.37 1SG 63 ATOM 63 N ARG 11 7.841 83.214 25.944 1.00177.03 1SG 64 ATOM 64 CA ARG 11 8.518 84.401 25.480 1.00177.03 1SG 65 ATOM 65 CB ARG 11 7.665 85.691 25.268 1.00177.03 1SG 66 ATOM 66 CG ARG 11 7.157 85.856 23.813 1.00177.03 1SG 67 ATOM 67 CD ARG 11 6.219 87.055 23.580 1.00177.03 1SG 68 ATOM 68 NE ARG 11 6.151 87.379 22.115 1.00177.03 1SG 69 ATOM 69 CZ ARG 11 5.356 86.681 21.248 1.00177.03 1SG 70 ATOM 70 NH1 ARG 11 4.843 85.467 21.599 1.00177.03 1SG 71 ATOM 71 NH2 ARG 11 5.064 87.199 20.018 1.00177.03 1SG 72 ATOM 72 C ARG 11 9.675 84.639 26.384 1.00177.03 1SG 73 ATOM 73 O ARG 11 9.578 84.475 27.598 1.00177.03 1SG 74 ATOM 74 N GLU 12 10.815 85.004 25.773 1.00175.36 1SG 75 ATOM 75 CA GLU 12 12.064 84.962 26.462 1.00175.36 1SG 76 ATOM 76 CB GLU 12 13.125 85.388 25.425 1.00175.36 1SG 77 ATOM 77 CG GLU 12 12.853 84.841 24.020 1.00175.36 1SG 78 ATOM 78 CD GLU 12 11.915 85.819 23.299 1.00175.36 1SG 79 ATOM 79 OE1 GLU 12 12.185 87.048 23.360 1.00175.36 1SG 80 ATOM 80 OE2 GLU 12 10.927 85.354 22.668 1.00175.36 1SG 81 ATOM 81 C GLU 12 12.068 85.826 27.724 1.00175.36 1SG 82 ATOM 82 O GLU 12 11.686 85.277 28.756 1.00175.36 1SG 83 ATOM 83 N PRO 13 12.441 87.104 27.813 1.00153.27 1SG 84 ATOM 84 CA PRO 13 12.141 87.726 29.087 1.00153.27 1SG 85 ATOM 85 CD PRO 13 13.858 87.343 27.532 1.00153.27 1SG 86 ATOM 86 CB PRO 13 13.454 87.810 29.850 1.00153.27 1SG 87 ATOM 87 CG PRO 13 14.455 88.089 28.730 1.00153.27 1SG 88 ATOM 88 C PRO 13 11.608 89.111 28.854 1.00153.27 1SG 89 ATOM 89 O PRO 13 11.648 89.567 27.714 1.00153.27 1SG 90 ATOM 90 N TYR 14 11.128 89.806 29.911 1.00354.43 1SG 91 ATOM 91 CA TYR 14 10.904 91.226 29.835 1.00354.43 1SG 92 ATOM 92 CB TYR 14 9.508 91.690 29.376 1.00354.43 1SG 93 ATOM 93 CG TYR 14 9.667 93.168 29.420 1.00354.43 1SG 94 ATOM 94 CD1 TYR 14 10.445 93.795 28.477 1.00354.43 1SG 95 ATOM 95 CD2 TYR 14 9.078 93.927 30.404 1.00354.43 1SG 96 ATOM 96 CE1 TYR 14 10.629 95.156 28.513 1.00354.43 1SG 97 ATOM 97 CE2 TYR 14 9.258 95.291 30.445 1.00354.43 1SG 98 ATOM 98 CZ TYR 14 10.037 95.906 29.497 1.00354.43 1SG 99 ATOM 99 OH TYR 14 10.233 97.302 29.530 1.00354.43 1SG 100 ATOM 100 C TYR 14 11.122 91.717 31.243 1.00354.43 1SG 101 ATOM 101 O TYR 14 10.904 90.946 32.175 1.00354.43 1SG 102 ATOM 102 N ALA 15 11.568 92.979 31.481 1.00315.49 1SG 103 ATOM 103 CA ALA 15 11.717 93.291 32.878 1.00315.49 1SG 104 ATOM 104 CB ALA 15 13.043 92.797 33.494 1.00315.49 1SG 105 ATOM 105 C ALA 15 11.634 94.760 33.179 1.00315.49 1SG 106 ATOM 106 O ALA 15 12.068 95.615 32.405 1.00315.49 1SG 107 ATOM 107 N SER 16 11.040 95.044 34.362 1.00229.54 1SG 108 ATOM 108 CA SER 16 10.971 96.335 34.985 1.00229.54 1SG 109 ATOM 109 CB SER 16 9.642 97.093 34.793 1.00229.54 1SG 110 ATOM 110 OG SER 16 9.738 98.366 35.415 1.00229.54 1SG 111 ATOM 111 C SER 16 11.100 96.023 36.447 1.00229.54 1SG 112 ATOM 112 O SER 16 10.578 95.005 36.899 1.00229.54 1SG 113 ATOM 113 N LEU 17 11.766 96.910 37.211 1.00160.03 1SG 114 ATOM 114 CA LEU 17 12.099 96.604 38.571 1.00160.03 1SG 115 ATOM 115 CB LEU 17 12.950 97.760 39.168 1.00160.03 1SG 116 ATOM 116 CG LEU 17 13.890 97.515 40.393 1.00160.03 1SG 117 ATOM 117 CD2 LEU 17 14.617 98.816 40.784 1.00160.03 1SG 118 ATOM 118 CD1 LEU 17 14.944 96.424 40.097 1.00160.03 1SG 119 ATOM 119 C LEU 17 10.786 96.351 39.252 1.00160.03 1SG 120 ATOM 120 O LEU 17 10.646 95.369 39.972 1.00160.03 1SG 121 ATOM 121 N ILE 18 9.754 97.147 38.879 1.00101.70 1SG 122 ATOM 122 CA ILE 18 8.435 97.103 39.466 1.00101.70 1SG 123 ATOM 123 CB ILE 18 7.365 97.792 38.665 1.00101.70 1SG 124 ATOM 124 CG2 ILE 18 6.039 97.212 39.172 1.00101.70 1SG 125 ATOM 125 CG1 ILE 18 7.425 99.319 38.654 1.00101.70 1SG 126 ATOM 126 CD1 ILE 18 6.557 99.915 37.542 1.00101.70 1SG 127 ATOM 127 C ILE 18 7.966 95.689 39.441 1.00101.70 1SG 128 ATOM 128 O ILE 18 7.430 95.201 40.440 1.00101.70 1SG 129 ATOM 129 N VAL 19 8.131 95.036 38.268 1.00138.70 1SG 130 ATOM 130 CA VAL 19 7.879 93.636 38.126 1.00138.70 1SG 131 ATOM 131 CB VAL 19 6.612 93.187 38.803 1.00138.70 1SG 132 ATOM 132 CG1 VAL 19 5.386 93.808 38.109 1.00138.70 1SG 133 ATOM 133 CG2 VAL 19 6.612 91.657 38.872 1.00138.70 1SG 134 ATOM 134 C VAL 19 7.753 93.282 36.675 1.00138.70 1SG 135 ATOM 135 O VAL 19 7.276 94.087 35.876 1.00138.70 1SG 136 ATOM 136 N ASP 20 8.231 92.073 36.286 1.00296.63 1SG 137 ATOM 137 CA ASP 20 7.880 91.601 34.977 1.00296.63 1SG 138 ATOM 138 CB ASP 20 8.866 91.836 33.823 1.00296.63 1SG 139 ATOM 139 CG ASP 20 7.861 92.166 32.725 1.00296.63 1SG 140 ATOM 140 OD1 ASP 20 7.056 93.079 33.056 1.00296.63 1SG 141 ATOM 141 OD2 ASP 20 7.856 91.575 31.610 1.00296.63 1SG 142 ATOM 142 C ASP 20 7.605 90.122 35.072 1.00296.63 1SG 143 ATOM 143 O ASP 20 7.130 89.654 36.106 1.00296.63 1SG 144 ATOM 144 N GLY 21 7.921 89.352 33.987 1.00161.92 1SG 145 ATOM 145 CA GLY 21 7.601 87.938 33.858 1.00161.92 1SG 146 ATOM 146 C GLY 21 6.233 87.920 33.223 1.00161.92 1SG 147 ATOM 147 O GLY 21 5.233 87.814 33.930 1.00161.92 1SG 148 ATOM 148 N ARG 22 6.129 88.057 31.871 1.00211.80 1SG 149 ATOM 149 CA ARG 22 4.797 88.128 31.287 1.00211.80 1SG 150 ATOM 150 CB ARG 22 4.428 89.544 30.784 1.00211.80 1SG 151 ATOM 151 CG ARG 22 3.035 89.676 30.146 1.00211.80 1SG 152 ATOM 152 CD ARG 22 3.037 89.495 28.621 1.00211.80 1SG 153 ATOM 153 NE ARG 22 1.658 89.742 28.104 1.00211.80 1SG 154 ATOM 154 CZ ARG 22 1.461 90.276 26.859 1.00211.80 1SG 155 ATOM 155 NH1 ARG 22 2.506 90.616 26.049 1.00211.80 1SG 156 ATOM 156 NH2 ARG 22 0.187 90.471 26.409 1.00211.80 1SG 157 ATOM 157 C ARG 22 4.648 87.247 30.089 1.00211.80 1SG 158 ATOM 158 O ARG 22 5.502 87.217 29.202 1.00211.80 1SG 159 ATOM 159 N LYS 23 3.513 86.513 30.038 1.00252.91 1SG 160 ATOM 160 CA LYS 23 3.263 85.693 28.888 1.00252.91 1SG 161 ATOM 161 CB LYS 23 3.983 84.344 28.905 1.00252.91 1SG 162 ATOM 162 CG LYS 23 5.425 84.289 28.364 1.00252.91 1SG 163 ATOM 163 CD LYS 23 6.235 83.085 28.936 1.00252.91 1SG 164 ATOM 164 CE LYS 23 5.812 81.756 28.229 1.00252.91 1SG 165 ATOM 165 NZ LYS 23 4.336 81.618 28.223 1.00252.91 1SG 166 ATOM 166 C LYS 23 1.787 85.459 28.724 1.00252.91 1SG 167 ATOM 167 O LYS 23 1.053 85.066 29.633 1.00252.91 1SG 168 ATOM 168 N VAL 24 1.329 85.740 27.493 1.00125.57 1SG 169 ATOM 169 CA VAL 24 0.013 85.449 27.002 1.00125.57 1SG 170 ATOM 170 CB VAL 24 -0.173 85.900 25.579 1.00125.57 1SG 171 ATOM 171 CG1 VAL 24 -1.330 85.131 24.898 1.00125.57 1SG 172 ATOM 172 CG2 VAL 24 -0.425 87.419 25.602 1.00125.57 1SG 173 ATOM 173 C VAL 24 -0.074 83.985 26.987 1.00125.57 1SG 174 ATOM 174 O VAL 24 -1.171 83.440 27.094 1.00125.57 1SG 175 ATOM 175 N TRP 25 1.105 83.338 26.876 1.00286.58 1SG 176 ATOM 176 CA TRP 25 1.255 81.934 26.575 1.00286.58 1SG 177 ATOM 177 CB TRP 25 0.164 80.991 27.139 1.00286.58 1SG 178 ATOM 178 CG TRP 25 0.401 79.562 26.703 1.00286.58 1SG 179 ATOM 179 CD2 TRP 25 1.355 78.703 27.347 1.00286.58 1SG 180 ATOM 180 CD1 TRP 25 -0.095 78.863 25.639 1.00286.58 1SG 181 ATOM 181 NE1 TRP 25 0.496 77.617 25.584 1.00286.58 1SG 182 ATOM 182 CE2 TRP 25 1.396 77.513 26.622 1.00286.58 1SG 183 ATOM 183 CE3 TRP 25 2.137 78.902 28.448 1.00286.58 1SG 184 ATOM 184 CZ2 TRP 25 2.231 76.502 26.981 1.00286.58 1SG 185 ATOM 185 CZ3 TRP 25 2.983 77.873 28.804 1.00286.58 1SG 186 ATOM 186 CH2 TRP 25 3.033 76.693 28.080 1.00286.58 1SG 187 ATOM 187 C TRP 25 1.166 81.872 25.063 1.00286.58 1SG 188 ATOM 188 O TRP 25 1.467 80.841 24.456 1.00286.58 1SG 189 ATOM 189 N GLU 26 0.907 83.068 24.463 1.00109.92 1SG 190 ATOM 190 CA GLU 26 0.657 83.412 23.082 1.00109.92 1SG 191 ATOM 191 CB GLU 26 1.642 84.393 22.431 1.00109.92 1SG 192 ATOM 192 CG GLU 26 1.393 85.855 22.789 1.00109.92 1SG 193 ATOM 193 CD GLU 26 2.267 86.777 21.935 1.00109.92 1SG 194 ATOM 194 OE1 GLU 26 2.192 86.647 20.684 1.00109.92 1SG 195 ATOM 195 OE2 GLU 26 3.007 87.626 22.499 1.00109.92 1SG 196 ATOM 196 C GLU 26 0.520 82.262 22.145 1.00109.92 1SG 197 ATOM 197 O GLU 26 1.408 81.425 21.991 1.00109.92 1SG 198 ATOM 198 N ILE 27 -0.628 82.262 21.437 1.00 88.98 1SG 199 ATOM 199 CA ILE 27 -0.870 81.183 20.556 1.00 88.98 1SG 200 ATOM 200 CB ILE 27 -2.110 80.435 20.945 1.00 88.98 1SG 201 ATOM 201 CG2 ILE 27 -3.349 81.164 20.390 1.00 88.98 1SG 202 ATOM 202 CG1 ILE 27 -1.945 78.970 20.543 1.00 88.98 1SG 203 ATOM 203 CD1 ILE 27 -2.999 78.019 21.097 1.00 88.98 1SG 204 ATOM 204 C ILE 27 -1.012 81.764 19.180 1.00 88.98 1SG 205 ATOM 205 O ILE 27 -1.649 82.801 18.998 1.00 88.98 1SG 206 ATOM 206 N ARG 28 -0.402 81.100 18.173 1.00137.80 1SG 207 ATOM 207 CA ARG 28 -0.362 81.645 16.851 1.00137.80 1SG 208 ATOM 208 CB ARG 28 1.059 82.128 16.519 1.00137.80 1SG 209 ATOM 209 CG ARG 28 1.257 82.725 15.129 1.00137.80 1SG 210 ATOM 210 CD ARG 28 2.683 83.228 14.947 1.00137.80 1SG 211 ATOM 211 NE ARG 28 2.881 83.665 13.538 1.00137.80 1SG 212 ATOM 212 CZ ARG 28 4.072 84.247 13.218 1.00137.80 1SG 213 ATOM 213 NH1 ARG 28 4.990 84.500 14.193 1.00137.80 1SG 214 ATOM 214 NH2 ARG 28 4.365 84.563 11.927 1.00137.80 1SG 215 ATOM 215 C ARG 28 -0.761 80.597 15.854 1.00137.80 1SG 216 ATOM 216 O ARG 28 -0.396 79.431 15.988 1.00137.80 1SG 217 ATOM 217 N ARG 29 -1.570 81.004 14.852 1.00 38.63 1SG 218 ATOM 218 CA ARG 29 -2.023 80.149 13.795 1.00 38.63 1SG 219 ATOM 219 CB ARG 29 -3.057 80.823 12.879 1.00 38.63 1SG 220 ATOM 220 CG ARG 29 -4.361 81.204 13.580 1.00 38.63 1SG 221 ATOM 221 CD ARG 29 -5.487 81.630 12.634 1.00 38.63 1SG 222 ATOM 222 NE ARG 29 -6.605 82.118 13.492 1.00 38.63 1SG 223 ATOM 223 CZ ARG 29 -7.468 81.234 14.073 1.00 38.63 1SG 224 ATOM 224 NH1 ARG 29 -7.319 79.893 13.861 1.00 38.63 1SG 225 ATOM 225 NH2 ARG 29 -8.470 81.692 14.879 1.00 38.63 1SG 226 ATOM 226 C ARG 29 -0.867 79.800 12.914 1.00 38.63 1SG 227 ATOM 227 O ARG 29 -0.761 78.673 12.434 1.00 38.63 1SG 228 ATOM 228 N ARG 30 0.039 80.771 12.684 1.00 74.03 1SG 229 ATOM 229 CA ARG 30 1.095 80.567 11.738 1.00 74.03 1SG 230 ATOM 230 CB ARG 30 1.955 81.814 11.472 1.00 74.03 1SG 231 ATOM 231 CG ARG 30 1.178 82.967 10.826 1.00 74.03 1SG 232 ATOM 232 CD ARG 30 2.090 84.047 10.243 1.00 74.03 1SG 233 ATOM 233 NE ARG 30 1.250 85.217 9.857 1.00 74.03 1SG 234 ATOM 234 CZ ARG 30 1.833 86.442 9.699 1.00 74.03 1SG 235 ATOM 235 NH1 ARG 30 3.170 86.596 9.925 1.00 74.03 1SG 236 ATOM 236 NH2 ARG 30 1.083 87.512 9.308 1.00 74.03 1SG 237 ATOM 237 C ARG 30 1.980 79.449 12.174 1.00 74.03 1SG 238 ATOM 238 O ARG 30 2.162 79.188 13.362 1.00 74.03 1SG 239 ATOM 239 N LYS 31 2.536 78.745 11.173 1.00 85.21 1SG 240 ATOM 240 CA LYS 31 3.376 77.603 11.367 1.00 85.21 1SG 241 ATOM 241 CB LYS 31 3.438 76.730 10.096 1.00 85.21 1SG 242 ATOM 242 CG LYS 31 4.198 75.409 10.227 1.00 85.21 1SG 243 ATOM 243 CD LYS 31 3.976 74.479 9.028 1.00 85.21 1SG 244 ATOM 244 CE LYS 31 4.754 73.162 9.100 1.00 85.21 1SG 245 ATOM 245 NZ LYS 31 4.447 72.321 7.919 1.00 85.21 1SG 246 ATOM 246 C LYS 31 4.760 78.080 11.675 1.00 85.21 1SG 247 ATOM 247 O LYS 31 5.094 79.242 11.449 1.00 85.21 1SG 248 ATOM 248 N THR 32 5.579 77.171 12.244 1.00168.20 1SG 249 ATOM 249 CA THR 32 6.969 77.383 12.546 1.00168.20 1SG 250 ATOM 250 CB THR 32 7.848 77.312 11.320 1.00168.20 1SG 251 ATOM 251 OG1 THR 32 9.209 77.489 11.680 1.00168.20 1SG 252 ATOM 252 CG2 THR 32 7.426 78.383 10.300 1.00168.20 1SG 253 ATOM 253 C THR 32 7.229 78.669 13.268 1.00168.20 1SG 254 ATOM 254 O THR 32 7.909 79.547 12.738 1.00168.20 1SG 255 ATOM 255 N ARG 33 6.695 78.830 14.500 1.00141.17 1SG 256 ATOM 256 CA ARG 33 7.028 80.033 15.212 1.00141.17 1SG 257 ATOM 257 CB ARG 33 5.909 80.556 16.134 1.00141.17 1SG 258 ATOM 258 CG ARG 33 5.927 82.080 16.326 1.00141.17 1SG 259 ATOM 259 CD ARG 33 4.726 82.607 17.121 1.00141.17 1SG 260 ATOM 260 NE ARG 33 4.676 84.093 17.010 1.00141.17 1SG 261 ATOM 261 CZ ARG 33 3.591 84.767 17.500 1.00141.17 1SG 262 ATOM 262 NH1 ARG 33 2.549 84.069 18.038 1.00141.17 1SG 263 ATOM 263 NH2 ARG 33 3.543 86.131 17.470 1.00141.17 1SG 264 ATOM 264 C ARG 33 8.291 79.759 15.992 1.00141.17 1SG 265 ATOM 265 O ARG 33 8.512 78.659 16.499 1.00141.17 1SG 266 ATOM 266 N HIS 34 9.144 80.793 16.112 1.00140.42 1SG 267 ATOM 267 CA HIS 34 10.492 80.784 16.635 1.00140.42 1SG 268 ATOM 268 ND1 HIS 34 13.255 82.544 15.445 1.00140.42 1SG 269 ATOM 269 CG HIS 34 12.463 82.565 16.572 1.00140.42 1SG 270 ATOM 270 CB HIS 34 10.992 82.250 16.562 1.00140.42 1SG 271 ATOM 271 NE2 HIS 34 14.543 83.261 17.108 1.00140.42 1SG 272 ATOM 272 CD2 HIS 34 13.268 83.003 17.579 1.00140.42 1SG 273 ATOM 273 CE1 HIS 34 14.487 82.969 15.821 1.00140.42 1SG 274 ATOM 274 C HIS 34 10.555 80.294 18.065 1.00140.42 1SG 275 ATOM 275 O HIS 34 11.287 79.354 18.378 1.00140.42 1SG 276 ATOM 276 N ARG 35 9.773 80.935 18.950 1.00175.97 1SG 277 ATOM 277 CA ARG 35 9.651 80.761 20.381 1.00175.97 1SG 278 ATOM 278 CB ARG 35 8.950 82.017 20.944 1.00175.97 1SG 279 ATOM 279 CG ARG 35 9.680 83.313 20.541 1.00175.97 1SG 280 ATOM 280 CD ARG 35 8.785 84.564 20.512 1.00175.97 1SG 281 ATOM 281 NE ARG 35 9.607 85.797 20.259 1.00175.97 1SG 282 ATOM 282 CZ ARG 35 9.836 86.288 19.004 1.00175.97 1SG 283 ATOM 283 NH1 ARG 35 9.385 85.619 17.904 1.00175.97 1SG 284 ATOM 284 NH2 ARG 35 10.520 87.463 18.870 1.00175.97 1SG 285 ATOM 285 C ARG 35 8.887 79.504 20.644 1.00175.97 1SG 286 ATOM 286 O ARG 35 8.845 79.014 21.770 1.00175.97 1SG 287 ATOM 287 N GLY 36 8.229 78.961 19.609 1.00 60.58 1SG 288 ATOM 288 CA GLY 36 7.397 77.811 19.797 1.00 60.58 1SG 289 ATOM 289 C GLY 36 8.172 76.674 20.400 1.00 60.58 1SG 290 ATOM 290 O GLY 36 7.578 75.889 21.133 1.00 60.58 1SG 291 ATOM 291 N PRO 37 9.435 76.482 20.116 1.00133.34 1SG 292 ATOM 292 CA PRO 37 10.133 75.356 20.725 1.00133.34 1SG 293 ATOM 293 CD PRO 37 9.904 76.743 18.760 1.00133.34 1SG 294 ATOM 294 CB PRO 37 11.398 75.182 19.875 1.00133.34 1SG 295 ATOM 295 CG PRO 37 10.980 75.685 18.474 1.00133.34 1SG 296 ATOM 296 C PRO 37 10.345 75.351 22.250 1.00133.34 1SG 297 ATOM 297 O PRO 37 10.722 76.382 22.810 1.00133.34 1SG 298 ATOM 298 N LEU 38 10.150 74.175 22.937 1.00166.56 1SG 299 ATOM 299 CA LEU 38 10.181 73.962 24.393 1.00166.56 1SG 300 ATOM 300 CB LEU 38 8.743 73.733 24.855 1.00166.56 1SG 301 ATOM 301 CG LEU 38 7.768 74.698 24.141 1.00166.56 1SG 302 ATOM 302 CD2 LEU 38 8.257 76.153 24.204 1.00166.56 1SG 303 ATOM 303 CD1 LEU 38 6.316 74.501 24.602 1.00166.56 1SG 304 ATOM 304 C LEU 38 10.892 72.672 24.587 1.00166.56 1SG 305 ATOM 305 O LEU 38 10.766 71.766 23.763 1.00166.56 1SG 306 ATOM 306 N GLY 39 11.640 72.571 25.704 1.00 67.12 1SG 307 ATOM 307 CA GLY 39 12.465 71.436 25.949 1.00 67.12 1SG 308 ATOM 308 C GLY 39 11.557 70.399 26.443 1.00 67.12 1SG 309 ATOM 309 O GLY 39 11.105 70.446 27.584 1.00 67.12 1SG 310 ATOM 310 N ILE 40 11.288 69.401 25.600 1.00123.00 1SG 311 ATOM 311 CA ILE 40 10.483 68.342 26.087 1.00123.00 1SG 312 ATOM 312 CB ILE 40 9.431 67.896 25.100 1.00123.00 1SG 313 ATOM 313 CG2 ILE 40 10.070 67.551 23.741 1.00123.00 1SG 314 ATOM 314 CG1 ILE 40 8.568 66.788 25.714 1.00123.00 1SG 315 ATOM 315 CD1 ILE 40 7.322 66.471 24.893 1.00123.00 1SG 316 ATOM 316 C ILE 40 11.455 67.263 26.346 1.00123.00 1SG 317 ATOM 317 O ILE 40 11.997 66.631 25.442 1.00123.00 1SG 318 ATOM 318 N VAL 41 11.777 67.069 27.624 1.00114.72 1SG 319 ATOM 319 CA VAL 41 12.715 66.030 27.831 1.00114.72 1SG 320 ATOM 320 CB VAL 41 14.102 66.502 28.195 1.00114.72 1SG 321 ATOM 321 CG1 VAL 41 14.680 67.341 27.029 1.00114.72 1SG 322 ATOM 322 CG2 VAL 41 14.024 67.236 29.533 1.00114.72 1SG 323 ATOM 323 C VAL 41 12.140 65.206 28.912 1.00114.72 1SG 324 ATOM 324 O VAL 41 11.284 65.656 29.670 1.00114.72 1SG 325 ATOM 325 N SER 42 12.579 63.946 28.968 1.00 58.28 1SG 326 ATOM 326 CA SER 42 12.172 63.047 29.990 1.00 58.28 1SG 327 ATOM 327 CB SER 42 11.600 61.733 29.413 1.00 58.28 1SG 328 ATOM 328 OG SER 42 10.963 60.928 30.398 1.00 58.28 1SG 329 ATOM 329 C SER 42 13.430 62.825 30.786 1.00 58.28 1SG 330 ATOM 330 O SER 42 14.517 63.227 30.373 1.00 58.28 1SG 331 ATOM 331 N GLY 43 13.271 62.203 31.971 1.00 62.40 1SG 332 ATOM 332 CA GLY 43 14.286 62.027 32.967 1.00 62.40 1SG 333 ATOM 333 C GLY 43 13.559 62.074 34.275 1.00 62.40 1SG 334 ATOM 334 O GLY 43 12.370 61.766 34.315 1.00 62.40 1SG 335 ATOM 335 N GLY 44 14.250 62.583 35.336 1.00105.66 1SG 336 ATOM 336 CA GLY 44 13.802 62.662 36.723 1.00105.66 1SG 337 ATOM 337 C GLY 44 12.681 63.621 36.976 1.00105.66 1SG 338 ATOM 338 O GLY 44 12.758 64.469 37.862 1.00105.66 1SG 339 ATOM 339 N ARG 45 11.632 63.376 36.188 1.00341.69 1SG 340 ATOM 340 CA ARG 45 10.357 63.900 35.912 1.00341.69 1SG 341 ATOM 341 CB ARG 45 10.664 64.975 34.911 1.00341.69 1SG 342 ATOM 342 CG ARG 45 11.673 64.441 33.864 1.00341.69 1SG 343 ATOM 343 CD ARG 45 13.094 64.916 34.242 1.00341.69 1SG 344 ATOM 344 NE ARG 45 12.972 65.952 35.305 1.00341.69 1SG 345 ATOM 345 CZ ARG 45 14.060 66.732 35.641 1.00341.69 1SG 346 ATOM 346 NH1 ARG 45 15.258 66.250 36.059 1.00341.69 1SG 347 ATOM 347 NH2 ARG 45 13.869 68.071 35.523 1.00341.69 1SG 348 ATOM 348 C ARG 45 9.752 62.795 35.133 1.00341.69 1SG 349 ATOM 349 O ARG 45 9.408 62.972 33.964 1.00341.69 1SG 350 ATOM 350 N LEU 46 9.536 61.666 35.816 1.00173.75 1SG 351 ATOM 351 CA LEU 46 9.284 60.374 35.252 1.00173.75 1SG 352 ATOM 352 CB LEU 46 9.145 59.292 36.339 1.00173.75 1SG 353 ATOM 353 CG LEU 46 9.031 57.845 35.807 1.00173.75 1SG 354 ATOM 354 CD2 LEU 46 8.358 56.896 36.813 1.00173.75 1SG 355 ATOM 355 CD1 LEU 46 10.376 57.344 35.250 1.00173.75 1SG 356 ATOM 356 C LEU 46 8.054 60.290 34.405 1.00173.75 1SG 357 ATOM 357 O LEU 46 7.160 61.130 34.464 1.00173.75 1SG 358 ATOM 358 N ILE 47 8.039 59.207 33.581 1.00140.19 1SG 359 ATOM 359 CA ILE 47 7.036 58.739 32.660 1.00140.19 1SG 360 ATOM 360 CB ILE 47 6.874 57.230 32.576 1.00140.19 1SG 361 ATOM 361 CG2 ILE 47 8.069 56.601 31.841 1.00140.19 1SG 362 ATOM 362 CG1 ILE 47 6.531 56.649 33.967 1.00140.19 1SG 363 ATOM 363 CD1 ILE 47 6.008 55.208 33.973 1.00140.19 1SG 364 ATOM 364 C ILE 47 5.702 59.239 33.056 1.00140.19 1SG 365 ATOM 365 O ILE 47 5.327 59.236 34.228 1.00140.19 1SG 366 ATOM 366 N GLY 48 4.951 59.680 32.035 1.00 21.25 1SG 367 ATOM 367 CA GLY 48 3.653 60.232 32.222 1.00 21.25 1SG 368 ATOM 368 C GLY 48 3.842 61.678 32.538 1.00 21.25 1SG 369 ATOM 369 O GLY 48 2.867 62.408 32.699 1.00 21.25 1SG 370 ATOM 370 N GLN 49 5.109 62.137 32.633 1.00 78.47 1SG 371 ATOM 371 CA GLN 49 5.351 63.525 32.952 1.00 78.47 1SG 372 ATOM 372 CB GLN 49 5.897 63.737 34.362 1.00 78.47 1SG 373 ATOM 373 CG GLN 49 5.151 63.131 35.549 1.00 78.47 1SG 374 ATOM 374 CD GLN 49 6.069 63.476 36.712 1.00 78.47 1SG 375 ATOM 375 OE1 GLN 49 5.923 63.052 37.858 1.00 78.47 1SG 376 ATOM 376 NE2 GLN 49 7.098 64.295 36.365 1.00 78.47 1SG 377 ATOM 377 C GLN 49 6.522 64.005 32.116 1.00 78.47 1SG 378 ATOM 378 O GLN 49 7.226 63.184 31.531 1.00 78.47 1SG 379 ATOM 379 N ALA 50 6.789 65.337 32.056 1.00 52.77 1SG 380 ATOM 380 CA ALA 50 7.953 65.793 31.340 1.00 52.77 1SG 381 ATOM 381 CB ALA 50 7.562 66.502 30.035 1.00 52.77 1SG 382 ATOM 382 C ALA 50 8.804 66.703 32.216 1.00 52.77 1SG 383 ATOM 383 O ALA 50 8.299 67.637 32.813 1.00 52.77 1SG 384 ATOM 384 N ASP 51 10.128 66.478 32.230 1.00172.88 1SG 385 ATOM 385 CA ASP 51 11.175 67.137 32.998 1.00172.88 1SG 386 ATOM 386 CB ASP 51 12.485 66.903 32.217 1.00172.88 1SG 387 ATOM 387 CG ASP 51 13.547 68.006 32.327 1.00172.88 1SG 388 ATOM 388 OD1 ASP 51 13.323 69.096 31.744 1.00172.88 1SG 389 ATOM 389 OD2 ASP 51 14.615 67.766 32.972 1.00172.88 1SG 390 ATOM 390 C ASP 51 11.087 68.614 33.063 1.00172.88 1SG 391 ATOM 391 O ASP 51 10.572 69.225 32.133 1.00172.88 1SG 392 ATOM 392 N LEU 52 11.549 69.248 34.175 1.00371.87 1SG 393 ATOM 393 CA LEU 52 11.810 70.605 33.924 1.00371.87 1SG 394 ATOM 394 CB LEU 52 10.739 71.758 33.845 1.00371.87 1SG 395 ATOM 395 CG LEU 52 10.036 72.379 32.501 1.00371.87 1SG 396 ATOM 396 CD2 LEU 52 9.144 73.574 32.866 1.00371.87 1SG 397 ATOM 397 CD1 LEU 52 9.361 71.577 31.357 1.00371.87 1SG 398 ATOM 398 C LEU 52 13.152 71.103 34.270 1.00371.87 1SG 399 ATOM 399 O LEU 52 13.726 70.997 35.379 1.00371.87 1SG 400 ATOM 400 N VAL 53 13.516 71.592 33.064 1.00240.05 1SG 401 ATOM 401 CA VAL 53 14.481 72.205 32.226 1.00240.05 1SG 402 ATOM 402 CB VAL 53 15.182 71.047 31.568 1.00240.05 1SG 403 ATOM 403 CG1 VAL 53 16.069 71.491 30.394 1.00240.05 1SG 404 ATOM 404 CG2 VAL 53 15.930 70.278 32.692 1.00240.05 1SG 405 ATOM 405 C VAL 53 13.629 72.825 31.037 1.00240.05 1SG 406 ATOM 406 O VAL 53 12.801 72.124 30.457 1.00240.05 1SG 407 ATOM 407 N GLY 54 13.831 74.091 30.543 1.00253.23 1SG 408 ATOM 408 CA GLY 54 13.086 74.750 29.429 1.00253.23 1SG 409 ATOM 409 C GLY 54 14.028 75.075 28.251 1.00253.23 1SG 410 ATOM 410 O GLY 54 15.217 74.866 28.485 1.00253.23 1SG 411 ATOM 411 N VAL 55 13.562 75.645 27.051 1.00241.71 1SG 412 ATOM 412 CA VAL 55 14.310 75.893 25.767 1.00241.71 1SG 413 ATOM 413 CB VAL 55 13.645 75.501 24.413 1.00241.71 1SG 414 ATOM 414 CG1 VAL 55 14.507 75.774 23.130 1.00241.71 1SG 415 ATOM 415 CG2 VAL 55 13.510 74.016 24.331 1.00241.71 1SG 416 ATOM 416 C VAL 55 14.788 77.337 25.464 1.00241.71 1SG 417 ATOM 417 O VAL 55 15.798 77.810 25.980 1.00241.71 1SG 418 ATOM 418 N GLU 56 14.097 78.061 24.529 1.00167.36 1SG 419 ATOM 419 CA GLU 56 14.667 79.221 23.905 1.00167.36 1SG 420 ATOM 420 CB GLU 56 13.805 79.867 22.784 1.00167.36 1SG 421 ATOM 421 CG GLU 56 14.558 81.056 22.166 1.00167.36 1SG 422 ATOM 422 CD GLU 56 13.763 81.801 21.102 1.00167.36 1SG 423 ATOM 423 OE1 GLU 56 12.638 81.377 20.727 1.00167.36 1SG 424 ATOM 424 OE2 GLU 56 14.305 82.844 20.650 1.00167.36 1SG 425 ATOM 425 C GLU 56 14.902 80.240 24.936 1.00167.36 1SG 426 ATOM 426 O GLU 56 16.019 80.727 25.098 1.00167.36 1SG 427 ATOM 427 N GLY 57 13.853 80.558 25.712 1.00205.92 1SG 428 ATOM 428 CA GLY 57 14.027 81.525 26.752 1.00205.92 1SG 429 ATOM 429 C GLY 57 15.111 81.080 27.672 1.00205.92 1SG 430 ATOM 430 O GLY 57 15.742 80.033 27.527 1.00205.92 1SG 431 ATOM 431 N PRO 58 15.248 81.866 28.695 1.00112.52 1SG 432 ATOM 432 CA PRO 58 16.252 81.613 29.685 1.00112.52 1SG 433 ATOM 433 CD PRO 58 14.864 83.265 28.641 1.00112.52 1SG 434 ATOM 434 CB PRO 58 16.397 82.911 30.482 1.00112.52 1SG 435 ATOM 435 CG PRO 58 15.202 83.781 30.046 1.00112.52 1SG 436 ATOM 436 C PRO 58 15.811 80.429 30.466 1.00112.52 1SG 437 ATOM 437 O PRO 58 14.617 80.138 30.460 1.00112.52 1SG 438 ATOM 438 N PHE 59 16.734 79.677 31.100 1.00337.91 1SG 439 ATOM 439 CA PHE 59 16.185 78.551 31.794 1.00337.91 1SG 440 ATOM 440 CB PHE 59 15.560 77.525 30.826 1.00337.91 1SG 441 ATOM 441 CG PHE 59 14.367 76.930 31.491 1.00337.91 1SG 442 ATOM 442 CD1 PHE 59 14.484 76.014 32.506 1.00337.91 1SG 443 ATOM 443 CD2 PHE 59 13.110 77.332 31.099 1.00337.91 1SG 444 ATOM 444 CE1 PHE 59 13.375 75.473 33.112 1.00337.91 1SG 445 ATOM 445 CE2 PHE 59 11.997 76.797 31.701 1.00337.91 1SG 446 ATOM 446 CZ PHE 59 12.120 75.868 32.700 1.00337.91 1SG 447 ATOM 447 C PHE 59 17.279 77.909 32.626 1.00337.91 1SG 448 ATOM 448 O PHE 59 18.472 78.129 32.410 1.00337.91 1SG 449 ATOM 449 N SER 60 16.886 77.095 33.638 1.00210.43 1SG 450 ATOM 450 CA SER 60 17.812 76.506 34.582 1.00210.43 1SG 451 ATOM 451 CB SER 60 17.787 77.207 35.954 1.00210.43 1SG 452 ATOM 452 OG SER 60 18.759 76.667 36.842 1.00210.43 1SG 453 ATOM 453 C SER 60 17.383 75.101 34.859 1.00210.43 1SG 454 ATOM 454 O SER 60 16.296 74.690 34.449 1.00210.43 1SG 455 ATOM 455 N VAL 61 18.264 74.316 35.541 1.00 94.66 1SG 456 ATOM 456 CA VAL 61 18.002 72.973 36.003 1.00 94.66 1SG 457 ATOM 457 CB VAL 61 18.494 71.986 35.011 1.00 94.66 1SG 458 ATOM 458 CG1 VAL 61 18.143 70.525 35.437 1.00 94.66 1SG 459 ATOM 459 CG2 VAL 61 17.948 72.490 33.658 1.00 94.66 1SG 460 ATOM 460 C VAL 61 18.851 72.799 37.217 1.00 94.66 1SG 461 ATOM 461 O VAL 61 19.811 73.543 37.378 1.00 94.66 1SG 462 ATOM 462 N GLU 62 18.553 71.829 38.107 1.00264.27 1SG 463 ATOM 463 CA GLU 62 19.369 71.748 39.291 1.00264.27 1SG 464 ATOM 464 CB GLU 62 19.002 72.872 40.277 1.00264.27 1SG 465 ATOM 465 CG GLU 62 19.948 73.057 41.464 1.00264.27 1SG 466 ATOM 466 CD GLU 62 19.332 74.172 42.296 1.00264.27 1SG 467 ATOM 467 OE1 GLU 62 18.301 74.716 41.820 1.00264.27 1SG 468 ATOM 468 OE2 GLU 62 19.854 74.494 43.398 1.00264.27 1SG 469 ATOM 469 C GLU 62 19.124 70.418 39.953 1.00264.27 1SG 470 ATOM 470 O GLU 62 17.979 69.984 40.072 1.00264.27 1SG 471 ATOM 471 N GLU 63 20.216 69.752 40.416 1.00346.60 1SG 472 ATOM 472 CA GLU 63 20.086 68.445 41.022 1.00346.60 1SG 473 ATOM 473 CB GLU 63 20.499 67.306 40.079 1.00346.60 1SG 474 ATOM 474 CG GLU 63 19.821 65.996 40.458 1.00346.60 1SG 475 ATOM 475 CD GLU 63 18.362 66.307 40.196 1.00346.60 1SG 476 ATOM 476 OE1 GLU 63 18.080 67.341 39.539 1.00346.60 1SG 477 ATOM 477 OE2 GLU 63 17.513 65.523 40.679 1.00346.60 1SG 478 ATOM 478 C GLU 63 21.034 68.289 42.181 1.00346.60 1SG 479 ATOM 479 O GLU 63 21.905 69.132 42.395 1.00346.60 1SG 480 ATOM 480 N LEU 64 20.836 67.172 42.951 1.00390.03 1SG 481 ATOM 481 CA LEU 64 21.622 66.654 44.053 1.00390.03 1SG 482 ATOM 482 CB LEU 64 21.576 67.614 45.258 1.00390.03 1SG 483 ATOM 483 CG LEU 64 22.319 67.164 46.496 1.00390.03 1SG 484 ATOM 484 CD2 LEU 64 22.218 68.211 47.633 1.00390.03 1SG 485 ATOM 485 CD1 LEU 64 23.735 66.692 46.066 1.00390.03 1SG 486 ATOM 486 C LEU 64 21.042 65.272 44.427 1.00390.03 1SG 487 ATOM 487 O LEU 64 20.221 64.723 43.683 1.00390.03 1SG 488 ATOM 488 N LEU 65 21.406 64.702 45.618 1.00412.12 1SG 489 ATOM 489 CA LEU 65 20.782 63.553 46.282 1.00412.12 1SG 490 ATOM 490 CB LEU 65 20.429 62.351 45.361 1.00412.12 1SG 491 ATOM 491 CG LEU 65 19.821 61.064 45.991 1.00412.12 1SG 492 ATOM 492 CD2 LEU 65 19.531 60.052 44.861 1.00412.12 1SG 493 ATOM 493 CD1 LEU 65 18.545 61.342 46.795 1.00412.12 1SG 494 ATOM 494 C LEU 65 21.636 63.095 47.443 1.00412.12 1SG 495 ATOM 495 O LEU 65 22.707 63.642 47.704 1.00412.12 1SG 496 ATOM 496 N ALA 66 21.161 62.083 48.204 1.00298.07 1SG 497 ATOM 497 CA ALA 66 21.879 61.496 49.310 1.00298.07 1SG 498 ATOM 498 CB ALA 66 22.243 62.549 50.410 1.00298.07 1SG 499 ATOM 499 C ALA 66 21.147 60.240 49.843 1.00298.07 1SG 500 ATOM 500 O ALA 66 20.784 59.380 49.033 1.00298.07 1SG 501 ATOM 501 N HIS 67 21.063 60.013 51.206 1.00413.82 1SG 502 ATOM 502 CA HIS 67 20.190 58.957 51.791 1.00413.82 1SG 503 ATOM 503 ND1 HIS 67 18.533 56.601 52.490 1.00413.82 1SG 504 ATOM 504 CG HIS 67 19.850 56.587 52.088 1.00413.82 1SG 505 ATOM 505 CB HIS 67 20.414 57.586 51.143 1.00413.82 1SG 506 ATOM 506 NE2 HIS 67 19.557 55.005 53.655 1.00413.82 1SG 507 ATOM 507 CD2 HIS 67 20.460 55.607 52.803 1.00413.82 1SG 508 ATOM 508 CE1 HIS 67 18.418 55.637 53.436 1.00413.82 1SG 509 ATOM 509 C HIS 67 20.562 58.842 53.231 1.00413.82 1SG 510 ATOM 510 O HIS 67 21.692 59.191 53.313 1.00413.82 1SG 511 ATOM 511 N GLN 68 19.727 58.400 54.304 1.00371.85 1SG 512 ATOM 512 CA GLN 68 20.020 58.536 55.779 1.00371.85 1SG 513 ATOM 513 CB GLN 68 18.915 59.464 56.297 1.00371.85 1SG 514 ATOM 514 CG GLN 68 18.507 59.131 57.712 1.00371.85 1SG 515 ATOM 515 CD GLN 68 19.527 59.713 58.665 1.00371.85 1SG 516 ATOM 516 OE1 GLN 68 20.209 59.032 59.406 1.00371.85 1SG 517 ATOM 517 NE2 GLN 68 19.625 61.090 58.588 1.00371.85 1SG 518 ATOM 518 C GLN 68 20.025 57.262 56.657 1.00371.85 1SG 519 ATOM 519 O GLN 68 19.012 56.535 56.630 1.00371.85 1SG 520 ATOM 520 N GLU 69 21.077 57.002 57.519 1.00287.29 1SG 521 ATOM 521 CA GLU 69 21.061 55.759 58.301 1.00287.29 1SG 522 ATOM 522 CB GLU 69 21.662 54.632 57.393 1.00287.29 1SG 523 ATOM 523 CG GLU 69 21.534 53.267 58.064 1.00287.29 1SG 524 ATOM 524 CD GLU 69 22.158 52.110 57.292 1.00287.29 1SG 525 ATOM 525 OE1 GLU 69 22.524 52.241 56.093 1.00287.29 1SG 526 ATOM 526 OE2 GLU 69 22.266 51.038 57.942 1.00287.29 1SG 527 ATOM 527 C GLU 69 21.761 55.725 59.701 1.00287.29 1SG 528 ATOM 528 O GLU 69 22.751 55.067 59.858 1.00287.29 1SG 529 ATOM 529 N LYS 70 21.193 56.230 60.846 1.00245.40 1SG 530 ATOM 530 CA LYS 70 21.890 56.148 62.139 1.00245.40 1SG 531 ATOM 531 CB LYS 70 21.764 57.457 62.950 1.00245.40 1SG 532 ATOM 532 CG LYS 70 22.554 58.653 62.394 1.00245.40 1SG 533 ATOM 533 CD LYS 70 22.566 59.851 63.348 1.00245.40 1SG 534 ATOM 534 CE LYS 70 23.807 60.697 63.238 1.00245.40 1SG 535 ATOM 535 NZ LYS 70 23.808 61.747 64.283 1.00245.40 1SG 536 ATOM 536 C LYS 70 21.442 55.015 63.096 1.00245.40 1SG 537 ATOM 537 O LYS 70 20.285 54.969 63.518 1.00245.40 1SG 538 ATOM 538 N HIS 71 22.371 54.076 63.462 1.00347.52 1SG 539 ATOM 539 CA HIS 71 22.255 53.220 64.634 1.00347.52 1SG 540 ATOM 540 ND1 HIS 71 22.428 49.450 65.151 1.00347.52 1SG 541 ATOM 541 CG HIS 71 22.687 50.630 64.474 1.00347.52 1SG 542 ATOM 542 CB HIS 71 21.716 51.777 64.446 1.00347.52 1SG 543 ATOM 543 NE2 HIS 71 24.514 49.318 64.374 1.00347.52 1SG 544 ATOM 544 CD2 HIS 71 23.957 50.518 63.992 1.00347.52 1SG 545 ATOM 545 CE1 HIS 71 23.553 48.717 65.059 1.00347.52 1SG 546 ATOM 546 C HIS 71 23.612 53.193 65.258 1.00347.52 1SG 547 ATOM 547 O HIS 71 24.561 53.657 64.633 1.00347.52 1SG 548 ATOM 548 N LEU 72 23.674 52.628 66.498 1.00298.68 1SG 549 ATOM 549 CA LEU 72 24.873 52.415 67.291 1.00298.68 1SG 550 ATOM 550 CB LEU 72 25.148 53.523 68.295 1.00298.68 1SG 551 ATOM 551 CG LEU 72 25.542 54.823 67.604 1.00298.68 1SG 552 ATOM 552 CD2 LEU 72 26.217 55.662 68.667 1.00298.68 1SG 553 ATOM 553 CD1 LEU 72 24.402 55.563 66.868 1.00298.68 1SG 554 ATOM 554 C LEU 72 24.809 51.165 68.112 1.00298.68 1SG 555 ATOM 555 O LEU 72 23.877 50.376 67.965 1.00298.68 1SG 556 ATOM 556 N ALA 73 25.856 50.964 68.966 1.00263.90 1SG 557 ATOM 557 CA ALA 73 26.086 49.824 69.832 1.00263.90 1SG 558 ATOM 558 CB ALA 73 27.017 48.728 69.332 1.00263.90 1SG 559 ATOM 559 C ALA 73 26.678 50.233 71.130 1.00263.90 1SG 560 ATOM 560 O ALA 73 26.606 51.386 71.518 1.00263.90 1SG 561 ATOM 561 N GLU 74 27.192 49.263 71.876 1.00343.64 1SG 562 ATOM 562 CA GLU 74 27.697 49.355 73.198 1.00343.64 1SG 563 ATOM 563 CB GLU 74 26.918 50.366 74.092 1.00343.64 1SG 564 ATOM 564 CG GLU 74 27.545 50.569 75.467 1.00343.64 1SG 565 ATOM 565 CD GLU 74 28.752 51.465 75.390 1.00343.64 1SG 566 ATOM 566 OE1 GLU 74 28.724 52.553 74.756 1.00343.64 1SG 567 ATOM 567 OE2 GLU 74 29.745 51.070 76.042 1.00343.64 1SG 568 ATOM 568 C GLU 74 27.292 48.001 73.583 1.00343.64 1SG 569 ATOM 569 O GLU 74 26.107 47.741 73.797 1.00343.64 1SG 570 ATOM 570 N GLU 75 28.239 47.055 73.570 1.00317.91 1SG 571 ATOM 571 CA GLU 75 27.859 45.711 74.005 1.00317.91 1SG 572 ATOM 572 CB GLU 75 28.609 44.438 73.454 1.00317.91 1SG 573 ATOM 573 CG GLU 75 28.042 43.048 73.917 1.00317.91 1SG 574 ATOM 574 CD GLU 75 28.801 41.835 73.374 1.00317.91 1SG 575 ATOM 575 OE1 GLU 75 29.644 42.008 72.451 1.00317.91 1SG 576 ATOM 576 OE2 GLU 75 28.515 40.724 73.908 1.00317.91 1SG 577 ATOM 577 C GLU 75 28.153 45.736 75.496 1.00317.91 1SG 578 ATOM 578 O GLU 75 28.421 46.850 75.938 1.00317.91 1SG 579 ATOM 579 N ALA 76 27.942 44.718 76.321 1.00315.17 1SG 580 ATOM 580 CA ALA 76 28.510 44.724 77.632 1.00315.17 1SG 581 ATOM 581 CB ALA 76 27.765 45.732 78.613 1.00315.17 1SG 582 ATOM 582 C ALA 76 28.567 43.254 78.099 1.00315.17 1SG 583 ATOM 583 O ALA 76 27.956 42.364 77.509 1.00315.17 1SG 584 ATOM 584 N PHE 77 29.434 42.896 79.053 1.00371.72 1SG 585 ATOM 585 CA PHE 77 29.495 41.518 79.483 1.00371.72 1SG 586 ATOM 586 CB PHE 77 30.880 40.847 79.219 1.00371.72 1SG 587 ATOM 587 CG PHE 77 30.847 39.386 79.570 1.00371.72 1SG 588 ATOM 588 CD1 PHE 77 29.641 38.747 79.508 1.00371.72 1SG 589 ATOM 589 CD2 PHE 77 31.979 38.657 79.899 1.00371.72 1SG 590 ATOM 590 CE1 PHE 77 29.526 37.396 79.763 1.00371.72 1SG 591 ATOM 591 CE2 PHE 77 31.871 37.301 80.142 1.00371.72 1SG 592 ATOM 592 CZ PHE 77 30.644 36.662 80.067 1.00371.72 1SG 593 ATOM 593 C PHE 77 29.290 41.701 80.940 1.00371.72 1SG 594 ATOM 594 O PHE 77 29.611 42.778 81.290 1.00371.72 1SG 595 ATOM 595 N LEU 78 28.670 40.799 81.790 1.00345.69 1SG 596 ATOM 596 CA LEU 78 28.877 40.974 83.213 1.00345.69 1SG 597 ATOM 597 CB LEU 78 28.424 42.226 83.924 1.00345.69 1SG 598 ATOM 598 CG LEU 78 29.472 43.423 83.901 1.00345.69 1SG 599 ATOM 599 CD2 LEU 78 30.749 43.595 84.787 1.00345.69 1SG 600 ATOM 600 CD1 LEU 78 28.642 44.679 84.041 1.00345.69 1SG 601 ATOM 601 C LEU 78 28.887 39.633 84.069 1.00345.69 1SG 602 ATOM 602 O LEU 78 27.941 38.990 84.495 1.00345.69 1SG 603 ATOM 603 N ARG 79 30.271 39.448 84.036 1.00508.16 1SG 604 ATOM 604 CA ARG 79 31.560 38.791 84.186 1.00508.16 1SG 605 ATOM 605 CB ARG 79 31.063 37.001 84.182 1.00508.16 1SG 606 ATOM 606 CG ARG 79 31.146 35.582 85.185 1.00508.16 1SG 607 ATOM 607 CD ARG 79 32.186 34.360 84.921 1.00508.16 1SG 608 ATOM 608 NE ARG 79 32.098 33.178 85.854 1.00508.16 1SG 609 ATOM 609 CZ ARG 79 32.705 31.985 85.526 1.00508.16 1SG 610 ATOM 610 NH1 ARG 79 32.961 31.662 84.219 1.00508.16 1SG 611 ATOM 611 NH2 ARG 79 33.118 31.096 86.475 1.00508.16 1SG 612 ATOM 612 C ARG 79 32.650 40.070 83.401 1.00508.16 1SG 613 ATOM 613 O ARG 79 33.617 40.235 84.117 1.00508.16 1SG 614 ATOM 614 N ALA 80 32.452 40.907 81.967 1.00461.65 1SG 615 ATOM 615 CA ALA 80 32.721 42.528 81.314 1.00461.65 1SG 616 ATOM 616 CB ALA 80 33.839 43.158 82.383 1.00461.65 1SG 617 ATOM 617 C ALA 80 33.037 43.574 79.552 1.00461.65 1SG 618 ATOM 618 O ALA 80 34.201 43.652 79.352 1.00461.65 1SG 619 ATOM 619 N TYR 81 32.297 44.284 78.295 1.00573.52 1SG 620 ATOM 620 CA TYR 81 32.638 45.397 76.975 1.00573.52 1SG 621 ATOM 621 CB TYR 81 33.750 45.035 75.958 1.00573.52 1SG 622 ATOM 622 CG TYR 81 34.954 44.322 76.539 1.00573.52 1SG 623 ATOM 623 CD1 TYR 81 34.949 42.982 76.630 1.00573.52 1SG 624 ATOM 624 CD2 TYR 81 36.131 44.932 76.812 1.00573.52 1SG 625 ATOM 625 CE1 TYR 81 35.988 42.277 77.207 1.00573.52 1SG 626 ATOM 626 CE2 TYR 81 37.182 44.244 77.426 1.00573.52 1SG 627 ATOM 627 CZ TYR 81 37.134 42.920 77.541 1.00573.52 1SG 628 ATOM 628 OH TYR 81 38.292 42.449 78.099 1.00573.52 1SG 629 ATOM 629 C TYR 81 31.622 46.420 75.604 1.00573.52 1SG 630 ATOM 630 O TYR 81 30.618 46.614 76.199 1.00573.52 1SG 631 ATOM 631 N ALA 82 31.742 47.068 74.082 1.00446.91 1SG 632 ATOM 632 CA ALA 82 30.840 48.140 72.958 1.00446.91 1SG 633 ATOM 633 CB ALA 82 30.735 49.508 73.621 1.00446.91 1SG 634 ATOM 634 C ALA 82 30.862 48.489 71.051 1.00446.91 1SG 635 ATOM 635 O ALA 82 31.737 47.742 70.618 1.00446.91 1SG 636 ATOM 636 N LYS 83 30.057 49.411 69.925 1.00536.74 1SG 637 ATOM 637 CA LYS 83 29.713 49.844 68.169 1.00536.74 1SG 638 ATOM 638 CB LYS 83 29.211 48.446 67.485 1.00536.74 1SG 639 ATOM 639 CG LYS 83 30.303 47.267 67.256 1.00536.74 1SG 640 ATOM 640 CD LYS 83 30.681 46.318 68.489 1.00536.74 1SG 641 ATOM 641 CE LYS 83 31.777 45.249 68.553 1.00536.74 1SG 642 ATOM 642 NZ LYS 83 31.937 44.793 69.977 1.00536.74 1SG 643 ATOM 643 C LYS 83 28.959 51.402 67.172 1.00536.74 1SG 644 ATOM 644 O LYS 83 28.823 52.256 68.043 1.00536.74 1SG 645 ATOM 645 N ASP 84 28.501 52.026 65.600 1.00565.23 1SG 646 ATOM 646 CA ASP 84 27.679 53.420 64.709 1.00565.23 1SG 647 ATOM 647 CB ASP 84 27.881 54.684 65.601 1.00565.23 1SG 648 ATOM 648 CG ASP 84 29.188 54.642 66.460 1.00565.23 1SG 649 ATOM 649 OD1 ASP 84 30.167 53.973 66.070 1.00565.23 1SG 650 ATOM 650 OD2 ASP 84 29.253 55.325 67.484 1.00565.23 1SG 651 ATOM 651 C ASP 84 27.330 54.401 62.885 1.00565.23 1SG 652 ATOM 652 O ASP 84 28.435 54.458 62.374 1.00565.23 1SG 653 ATOM 653 N GLU 85 26.110 55.229 61.978 1.00547.40 1SG 654 ATOM 654 CA GLU 85 25.690 55.952 60.263 1.00547.40 1SG 655 ATOM 655 CB GLU 85 25.384 54.585 59.502 1.00547.40 1SG 656 ATOM 656 CG GLU 85 25.773 53.170 60.172 1.00547.40 1SG 657 ATOM 657 CD GLU 85 27.301 52.958 60.346 1.00547.40 1SG 658 ATOM 658 OE1 GLU 85 28.195 53.529 59.680 1.00547.40 1SG 659 ATOM 659 OE2 GLU 85 27.548 52.046 61.174 1.00547.40 1SG 660 ATOM 660 C GLU 85 24.694 57.618 59.141 1.00547.40 1SG 661 ATOM 661 O GLU 85 24.865 58.526 59.888 1.00547.40 1SG 662 ATOM 662 N PRO 86 23.798 58.266 57.561 1.00760.61 1SG 663 ATOM 663 CA PRO 86 23.167 59.659 56.306 1.00760.61 1SG 664 ATOM 664 CD PRO 86 24.117 57.146 56.625 1.00760.61 1SG 665 ATOM 665 CB PRO 86 23.622 58.928 55.086 1.00760.61 1SG 666 ATOM 666 CG PRO 86 24.507 57.732 55.340 1.00760.61 1SG 667 ATOM 667 C PRO 86 21.805 60.999 55.401 1.00760.61 1SG 668 ATOM 668 O PRO 86 21.037 61.392 56.282 1.00760.61 1SG 669 ATOM 669 N LEU 87 21.440 61.812 53.862 1.00635.40 1SG 670 ATOM 670 CA LEU 87 20.566 63.185 52.898 1.00635.40 1SG 671 ATOM 671 CB LEU 87 21.711 64.258 52.910 1.00635.40 1SG 672 ATOM 672 CG LEU 87 22.470 64.619 54.248 1.00635.40 1SG 673 ATOM 673 CD2 LEU 87 23.193 66.012 54.160 1.00635.40 1SG 674 ATOM 674 CD1 LEU 87 23.555 63.595 54.638 1.00635.40 1SG 675 ATOM 675 C LEU 87 19.432 63.452 51.290 1.00635.40 1SG 676 ATOM 676 O LEU 87 19.053 62.395 50.730 1.00635.40 1SG 677 ATOM 677 N TYR 88 18.730 64.730 50.457 1.00698.23 1SG 678 ATOM 678 CA TYR 88 17.964 65.217 48.951 1.00698.23 1SG 679 ATOM 679 CB TYR 88 18.018 64.018 48.045 1.00698.23 1SG 680 ATOM 680 CG TYR 88 17.947 64.700 46.751 1.00698.23 1SG 681 ATOM 681 CD1 TYR 88 18.765 65.759 46.623 1.00698.23 1SG 682 ATOM 682 CD2 TYR 88 17.121 64.146 45.815 1.00698.23 1SG 683 ATOM 683 CE1 TYR 88 18.599 66.449 45.441 1.00698.23 1SG 684 ATOM 684 CE2 TYR 88 17.020 64.819 44.644 1.00698.23 1SG 685 ATOM 685 CZ TYR 88 17.786 65.957 44.422 1.00698.23 1SG 686 ATOM 686 OH TYR 88 17.669 66.599 43.210 1.00698.23 1SG 687 ATOM 687 C TYR 88 16.618 66.371 48.520 1.00698.23 1SG 688 ATOM 688 O TYR 88 15.788 66.644 49.394 1.00698.23 1SG 689 ATOM 689 N ALA 89 16.355 67.108 47.139 1.00382.81 1SG 690 ATOM 690 CA ALA 89 15.528 68.248 46.296 1.00382.81 1SG 691 ATOM 691 CB ALA 89 16.042 68.280 44.877 1.00382.81 1SG 692 ATOM 692 C ALA 89 13.956 68.529 46.081 1.00382.81 1SG 693 ATOM 693 O ALA 89 13.248 67.577 45.755 1.00382.81 1SG 694 ATOM 694 N TRP 90 13.419 69.877 46.083 1.00329.13 1SG 695 ATOM 695 CA TRP 90 11.994 70.493 45.820 1.00329.13 1SG 696 ATOM 696 CB TRP 90 11.577 71.907 46.405 1.00329.13 1SG 697 ATOM 697 CG TRP 90 11.940 73.141 45.542 1.00329.13 1SG 698 ATOM 698 CD2 TRP 90 11.077 74.180 44.959 1.00329.13 1SG 699 ATOM 699 CD1 TRP 90 13.180 73.442 45.078 1.00329.13 1SG 700 ATOM 700 NE1 TRP 90 13.150 74.536 44.248 1.00329.13 1SG 701 ATOM 701 CE2 TRP 90 11.862 75.008 44.173 1.00329.13 1SG 702 ATOM 702 CE3 TRP 90 9.732 74.383 45.022 1.00329.13 1SG 703 ATOM 703 CZ2 TRP 90 11.342 76.043 43.437 1.00329.13 1SG 704 ATOM 704 CZ3 TRP 90 9.227 75.489 44.350 1.00329.13 1SG 705 ATOM 705 CH2 TRP 90 10.008 76.306 43.570 1.00329.13 1SG 706 ATOM 706 C TRP 90 11.669 70.924 44.408 1.00329.13 1SG 707 ATOM 707 O TRP 90 12.579 71.112 43.619 1.00329.13 1SG 708 ATOM 708 N VAL 91 10.347 71.188 44.109 1.00149.29 1SG 709 ATOM 709 CA VAL 91 9.795 71.619 42.817 1.00149.29 1SG 710 ATOM 710 CB VAL 91 9.811 70.460 41.842 1.00149.29 1SG 711 ATOM 711 CG1 VAL 91 9.192 71.039 40.572 1.00149.29 1SG 712 ATOM 712 CG2 VAL 91 11.218 69.844 41.542 1.00149.29 1SG 713 ATOM 713 C VAL 91 8.400 72.407 43.031 1.00149.29 1SG 714 ATOM 714 O VAL 91 7.961 72.342 44.181 1.00149.29 1SG 715 ATOM 715 N LEU 92 7.675 73.100 41.990 1.00259.73 1SG 716 ATOM 716 CA LEU 92 6.604 74.239 41.907 1.00259.73 1SG 717 ATOM 717 CB LEU 92 7.397 75.324 41.174 1.00259.73 1SG 718 ATOM 718 CG LEU 92 6.796 76.632 40.774 1.00259.73 1SG 719 ATOM 719 CD2 LEU 92 6.985 76.607 39.290 1.00259.73 1SG 720 ATOM 720 CD1 LEU 92 7.368 77.838 41.501 1.00259.73 1SG 721 ATOM 721 C LEU 92 5.019 74.135 41.309 1.00259.73 1SG 722 ATOM 722 O LEU 92 4.575 73.038 40.957 1.00259.73 1SG 723 ATOM 723 N GLU 93 4.176 75.309 41.146 1.00290.63 1SG 724 ATOM 724 CA GLU 93 2.655 75.652 40.884 1.00290.63 1SG 725 ATOM 725 CB GLU 93 1.810 76.487 42.002 1.00290.63 1SG 726 ATOM 726 CG GLU 93 0.198 76.712 41.825 1.00290.63 1SG 727 ATOM 727 CD GLU 93 -0.703 77.858 42.523 1.00290.63 1SG 728 ATOM 728 OE1 GLU 93 -0.424 79.095 42.471 1.00290.63 1SG 729 ATOM 729 OE2 GLU 93 -1.761 77.466 43.092 1.00290.63 1SG 730 ATOM 730 C GLU 93 1.996 76.375 39.606 1.00290.63 1SG 731 ATOM 731 O GLU 93 1.738 75.781 38.555 1.00290.63 1SG 732 ATOM 732 N ASN 94 1.680 77.736 39.752 1.00201.87 1SG 733 ATOM 733 CA ASN 94 0.545 78.561 39.220 1.00201.87 1SG 734 ATOM 734 CB ASN 94 0.378 80.016 39.805 1.00201.87 1SG 735 ATOM 735 CG ASN 94 -0.862 80.810 39.305 1.00201.87 1SG 736 ATOM 736 OD1 ASN 94 -0.747 81.900 38.756 1.00201.87 1SG 737 ATOM 737 ND2 ASN 94 -2.085 80.271 39.558 1.00201.87 1SG 738 ATOM 738 C ASN 94 0.158 78.650 37.760 1.00201.87 1SG 739 ATOM 739 O ASN 94 -1.048 78.702 37.492 1.00201.87 1SG 740 ATOM 740 N ALA 95 1.100 78.770 36.808 1.00256.44 1SG 741 ATOM 741 CA ALA 95 0.832 78.656 35.397 1.00256.44 1SG 742 ATOM 742 CB ALA 95 -0.534 79.174 34.869 1.00256.44 1SG 743 ATOM 743 C ALA 95 1.840 79.553 34.815 1.00256.44 1SG 744 ATOM 744 O ALA 95 1.538 80.591 34.231 1.00256.44 1SG 745 ATOM 745 N PHE 96 3.099 79.135 34.944 1.00281.87 1SG 746 ATOM 746 CA PHE 96 4.085 80.026 34.469 1.00281.87 1SG 747 ATOM 747 CB PHE 96 4.145 81.294 35.349 1.00281.87 1SG 748 ATOM 748 CG PHE 96 5.479 81.485 35.963 1.00281.87 1SG 749 ATOM 749 CD1 PHE 96 5.907 80.682 36.993 1.00281.87 1SG 750 ATOM 750 CD2 PHE 96 6.298 82.481 35.502 1.00281.87 1SG 751 ATOM 751 CE1 PHE 96 7.146 80.875 37.554 1.00281.87 1SG 752 ATOM 752 CE2 PHE 96 7.536 82.676 36.060 1.00281.87 1SG 753 ATOM 753 CZ PHE 96 7.965 81.874 37.087 1.00281.87 1SG 754 ATOM 754 C PHE 96 5.319 79.230 34.422 1.00281.87 1SG 755 ATOM 755 O PHE 96 5.399 78.136 34.980 1.00281.87 1SG 756 ATOM 756 N ARG 97 6.319 79.773 33.753 1.00289.40 1SG 757 ATOM 757 CA ARG 97 7.525 79.099 33.467 1.00289.40 1SG 758 ATOM 758 CB ARG 97 8.193 79.996 32.387 1.00289.40 1SG 759 ATOM 759 CG ARG 97 9.410 79.533 31.595 1.00289.40 1SG 760 ATOM 760 CD ARG 97 9.773 80.518 30.469 1.00289.40 1SG 761 ATOM 761 NE ARG 97 10.939 79.930 29.761 1.00289.40 1SG 762 ATOM 762 CZ ARG 97 11.386 80.358 28.543 1.00289.40 1SG 763 ATOM 763 NH1 ARG 97 10.952 81.501 27.925 1.00289.40 1SG 764 ATOM 764 NH2 ARG 97 12.329 79.585 27.936 1.00289.40 1SG 765 ATOM 765 C ARG 97 8.323 79.021 34.712 1.00289.40 1SG 766 ATOM 766 O ARG 97 8.997 79.989 35.062 1.00289.40 1SG 767 ATOM 767 N TYR 98 8.247 77.900 35.469 1.00279.28 1SG 768 ATOM 768 CA TYR 98 9.347 77.987 36.362 1.00279.28 1SG 769 ATOM 769 CB TYR 98 9.160 77.863 37.865 1.00279.28 1SG 770 ATOM 770 CG TYR 98 10.235 78.721 38.365 1.00279.28 1SG 771 ATOM 771 CD1 TYR 98 10.058 80.054 38.205 1.00279.28 1SG 772 ATOM 772 CD2 TYR 98 11.298 78.223 39.034 1.00279.28 1SG 773 ATOM 773 CE1 TYR 98 11.021 80.916 38.619 1.00279.28 1SG 774 ATOM 774 CE2 TYR 98 12.270 79.085 39.451 1.00279.28 1SG 775 ATOM 775 CZ TYR 98 12.146 80.436 39.232 1.00279.28 1SG 776 ATOM 776 OH TYR 98 13.155 81.337 39.635 1.00279.28 1SG 777 ATOM 777 C TYR 98 10.150 76.866 35.951 1.00279.28 1SG 778 ATOM 778 O TYR 98 9.721 75.981 35.224 1.00279.28 1SG 779 ATOM 779 N GLU 99 11.373 76.892 36.437 1.00240.61 1SG 780 ATOM 780 CA GLU 99 12.407 76.133 35.852 1.00240.61 1SG 781 ATOM 781 CB GLU 99 13.772 76.899 35.949 1.00240.61 1SG 782 ATOM 782 CG GLU 99 13.558 78.338 35.346 1.00240.61 1SG 783 ATOM 783 CD GLU 99 14.688 79.413 35.309 1.00240.61 1SG 784 ATOM 784 OE1 GLU 99 15.553 79.349 34.400 1.00240.61 1SG 785 ATOM 785 OE2 GLU 99 14.635 80.379 36.121 1.00240.61 1SG 786 ATOM 786 C GLU 99 12.229 74.628 36.049 1.00240.61 1SG 787 ATOM 787 O GLU 99 13.158 73.866 35.797 1.00240.61 1SG 788 ATOM 788 N LYS 100 11.037 74.218 36.608 1.00178.66 1SG 789 ATOM 789 CA LYS 100 10.488 72.898 36.905 1.00178.66 1SG 790 ATOM 790 CB LYS 100 10.275 72.793 38.419 1.00178.66 1SG 791 ATOM 791 CG LYS 100 11.623 73.031 39.110 1.00178.66 1SG 792 ATOM 792 CD LYS 100 12.091 74.496 39.146 1.00178.66 1SG 793 ATOM 793 CE LYS 100 13.612 74.722 39.088 1.00178.66 1SG 794 ATOM 794 NZ LYS 100 13.978 76.108 38.737 1.00178.66 1SG 795 ATOM 795 C LYS 100 9.190 72.630 36.081 1.00178.66 1SG 796 ATOM 796 O LYS 100 8.689 73.581 35.517 1.00178.66 1SG 797 ATOM 797 N PRO 101 8.645 71.389 36.021 1.00228.38 1SG 798 ATOM 798 CA PRO 101 7.635 70.617 35.199 1.00228.38 1SG 799 ATOM 799 CD PRO 101 9.455 70.416 36.711 1.00228.38 1SG 800 ATOM 800 CB PRO 101 7.312 69.511 36.221 1.00228.38 1SG 801 ATOM 801 CG PRO 101 8.419 69.482 37.300 1.00228.38 1SG 802 ATOM 802 C PRO 101 6.285 70.798 34.372 1.00228.38 1SG 803 ATOM 803 O PRO 101 5.585 71.795 34.579 1.00228.38 1SG 804 ATOM 804 N LEU 102 5.907 69.791 33.452 1.00221.27 1SG 805 ATOM 805 CA LEU 102 4.532 69.559 32.887 1.00221.27 1SG 806 ATOM 806 CB LEU 102 3.589 70.767 32.818 1.00221.27 1SG 807 ATOM 807 CG LEU 102 2.735 70.746 34.109 1.00221.27 1SG 808 ATOM 808 CD2 LEU 102 2.494 72.152 34.642 1.00221.27 1SG 809 ATOM 809 CD1 LEU 102 3.345 69.814 35.175 1.00221.27 1SG 810 ATOM 810 C LEU 102 4.181 68.404 31.873 1.00221.27 1SG 811 ATOM 811 O LEU 102 5.001 67.826 31.149 1.00221.27 1SG 812 ATOM 812 N HIS 103 2.859 68.033 31.862 1.00147.70 1SG 813 ATOM 813 CA HIS 103 2.156 66.857 31.308 1.00147.70 1SG 814 ATOM 814 ND1 HIS 103 -1.176 65.146 31.996 1.00147.70 1SG 815 ATOM 815 CG HIS 103 0.193 65.303 32.002 1.00147.70 1SG 816 ATOM 816 CB HIS 103 0.854 66.646 32.098 1.00147.70 1SG 817 ATOM 817 NE2 HIS 103 -0.299 63.105 31.940 1.00147.70 1SG 818 ATOM 818 CD2 HIS 103 0.715 64.045 31.967 1.00147.70 1SG 819 ATOM 819 CE1 HIS 103 -1.415 63.812 31.958 1.00147.70 1SG 820 ATOM 820 C HIS 103 1.779 66.840 29.830 1.00147.70 1SG 821 ATOM 821 O HIS 103 1.732 67.862 29.151 1.00147.70 1SG 822 ATOM 822 N VAL 104 1.499 65.612 29.296 1.00 94.19 1SG 823 ATOM 823 CA VAL 104 1.020 65.316 27.948 1.00 94.19 1SG 824 ATOM 824 CB VAL 104 2.127 64.978 27.023 1.00 94.19 1SG 825 ATOM 825 CG1 VAL 104 1.543 64.097 25.913 1.00 94.19 1SG 826 ATOM 826 CG2 VAL 104 2.708 66.311 26.502 1.00 94.19 1SG 827 ATOM 827 C VAL 104 0.050 64.155 27.965 1.00 94.19 1SG 828 ATOM 828 O VAL 104 0.400 63.000 28.207 1.00 94.19 1SG 829 ATOM 829 N PRO 105 -1.187 64.525 27.759 1.00143.00 1SG 830 ATOM 830 CA PRO 105 -2.325 63.627 27.836 1.00143.00 1SG 831 ATOM 831 CD PRO 105 -1.538 65.881 28.146 1.00143.00 1SG 832 ATOM 832 CB PRO 105 -3.534 64.529 28.074 1.00143.00 1SG 833 ATOM 833 CG PRO 105 -2.957 65.798 28.713 1.00143.00 1SG 834 ATOM 834 C PRO 105 -2.730 62.470 26.950 1.00143.00 1SG 835 ATOM 835 O PRO 105 -2.686 61.336 27.423 1.00143.00 1SG 836 ATOM 836 N ARG 106 -3.095 62.708 25.666 1.00150.47 1SG 837 ATOM 837 CA ARG 106 -3.839 61.664 24.988 1.00150.47 1SG 838 ATOM 838 CB ARG 106 -5.169 61.409 25.738 1.00150.47 1SG 839 ATOM 839 CG ARG 106 -6.409 61.201 24.855 1.00150.47 1SG 840 ATOM 840 CD ARG 106 -6.593 59.829 24.199 1.00150.47 1SG 841 ATOM 841 NE ARG 106 -7.584 60.019 23.097 1.00150.47 1SG 842 ATOM 842 CZ ARG 106 -7.972 58.980 22.299 1.00150.47 1SG 843 ATOM 843 NH1 ARG 106 -7.470 57.724 22.488 1.00150.47 1SG 844 ATOM 844 NH2 ARG 106 -8.884 59.201 21.306 1.00150.47 1SG 845 ATOM 845 C ARG 106 -4.176 62.069 23.575 1.00150.47 1SG 846 ATOM 846 O ARG 106 -4.130 63.250 23.246 1.00150.47 1SG 847 ATOM 847 N ARG 107 -4.538 61.071 22.721 1.00160.73 1SG 848 ATOM 848 CA ARG 107 -4.880 61.183 21.318 1.00160.73 1SG 849 ATOM 849 CB ARG 107 -6.315 61.644 20.989 1.00160.73 1SG 850 ATOM 850 CG ARG 107 -6.695 61.131 19.598 1.00160.73 1SG 851 ATOM 851 CD ARG 107 -7.850 61.803 18.859 1.00160.73 1SG 852 ATOM 852 NE ARG 107 -7.889 61.112 17.539 1.00160.73 1SG 853 ATOM 853 CZ ARG 107 -8.658 61.577 16.507 1.00160.73 1SG 854 ATOM 854 NH1 ARG 107 -9.464 62.662 16.684 1.00160.73 1SG 855 ATOM 855 NH2 ARG 107 -8.608 60.959 15.294 1.00160.73 1SG 856 ATOM 856 C ARG 107 -3.941 62.130 20.659 1.00160.73 1SG 857 ATOM 857 O ARG 107 -4.197 63.329 20.722 1.00160.73 1SG 858 ATOM 858 N PRO 108 -2.922 61.603 19.987 1.00140.56 1SG 859 ATOM 859 CA PRO 108 -1.775 62.368 19.531 1.00140.56 1SG 860 ATOM 860 CD PRO 108 -3.158 60.442 19.136 1.00140.56 1SG 861 ATOM 861 CB PRO 108 -1.201 61.613 18.329 1.00140.56 1SG 862 ATOM 862 CG PRO 108 -2.352 60.709 17.854 1.00140.56 1SG 863 ATOM 863 C PRO 108 -2.012 63.819 19.272 1.00140.56 1SG 864 ATOM 864 O PRO 108 -2.430 64.233 18.193 1.00140.56 1SG 865 ATOM 865 N GLY 109 -1.709 64.573 20.343 1.00 94.13 1SG 866 ATOM 866 CA GLY 109 -1.884 65.974 20.570 1.00 94.13 1SG 867 ATOM 867 C GLY 109 -1.701 66.062 22.048 1.00 94.13 1SG 868 ATOM 868 O GLY 109 -1.787 65.043 22.735 1.00 94.13 1SG 869 ATOM 869 N ARG 110 -1.443 67.256 22.619 1.00100.13 1SG 870 ATOM 870 CA ARG 110 -1.129 67.186 24.019 1.00100.13 1SG 871 ATOM 871 CB ARG 110 0.395 67.029 24.194 1.00100.13 1SG 872 ATOM 872 CG ARG 110 0.772 65.683 23.561 1.00100.13 1SG 873 ATOM 873 CD ARG 110 2.237 65.299 23.339 1.00100.13 1SG 874 ATOM 874 NE ARG 110 2.185 63.868 22.892 1.00100.13 1SG 875 ATOM 875 CZ ARG 110 2.916 62.885 23.498 1.00100.13 1SG 876 ATOM 876 NH1 ARG 110 3.900 63.199 24.392 1.00100.13 1SG 877 ATOM 877 NH2 ARG 110 2.661 61.575 23.202 1.00100.13 1SG 878 ATOM 878 C ARG 110 -1.701 68.356 24.770 1.00100.13 1SG 879 ATOM 879 O ARG 110 -1.806 69.469 24.257 1.00100.13 1SG 880 ATOM 880 N VAL 111 -2.110 68.103 26.033 1.00 62.45 1SG 881 ATOM 881 CA VAL 111 -2.718 69.089 26.884 1.00 62.45 1SG 882 ATOM 882 CB VAL 111 -3.964 68.577 27.566 1.00 62.45 1SG 883 ATOM 883 CG1 VAL 111 -4.581 69.693 28.428 1.00 62.45 1SG 884 ATOM 884 CG2 VAL 111 -4.909 67.963 26.520 1.00 62.45 1SG 885 ATOM 885 C VAL 111 -1.690 69.273 27.956 1.00 62.45 1SG 886 ATOM 886 O VAL 111 -0.673 68.583 27.928 1.00 62.45 1SG 887 ATOM 887 N MET 112 -1.854 70.233 28.894 1.00 80.65 1SG 888 ATOM 888 CA MET 112 -0.829 70.287 29.903 1.00 80.65 1SG 889 ATOM 889 CB MET 112 0.327 71.223 29.523 1.00 80.65 1SG 890 ATOM 890 CG MET 112 1.115 70.633 28.351 1.00 80.65 1SG 891 ATOM 891 SD MET 112 2.515 71.618 27.737 1.00 80.65 1SG 892 ATOM 892 CE MET 112 2.726 70.591 26.253 1.00 80.65 1SG 893 ATOM 893 C MET 112 -1.423 70.686 31.220 1.00 80.65 1SG 894 ATOM 894 O MET 112 -2.119 71.695 31.334 1.00 80.65 1SG 895 ATOM 895 N PHE 113 -1.135 69.873 32.261 1.00 88.75 1SG 896 ATOM 896 CA PHE 113 -1.660 70.083 33.584 1.00 88.75 1SG 897 ATOM 897 CB PHE 113 -2.641 68.965 33.990 1.00 88.75 1SG 898 ATOM 898 CG PHE 113 -3.388 69.343 35.225 1.00 88.75 1SG 899 ATOM 899 CD1 PHE 113 -4.440 70.227 35.154 1.00 88.75 1SG 900 ATOM 900 CD2 PHE 113 -3.067 68.794 36.446 1.00 88.75 1SG 901 ATOM 901 CE1 PHE 113 -5.145 70.576 36.281 1.00 88.75 1SG 902 ATOM 902 CE2 PHE 113 -3.770 69.139 37.578 1.00 88.75 1SG 903 ATOM 903 CZ PHE 113 -4.810 70.033 37.498 1.00 88.75 1SG 904 ATOM 904 C PHE 113 -0.499 70.042 34.528 1.00 88.75 1SG 905 ATOM 905 O PHE 113 0.436 69.274 34.322 1.00 88.75 1SG 906 ATOM 906 N VAL 114 -0.548 70.867 35.594 1.00 61.00 1SG 907 ATOM 907 CA VAL 114 0.512 70.985 36.556 1.00 61.00 1SG 908 ATOM 908 CB VAL 114 0.320 72.164 37.462 1.00 61.00 1SG 909 ATOM 909 CG1 VAL 114 1.474 72.181 38.480 1.00 61.00 1SG 910 ATOM 910 CG2 VAL 114 0.214 73.440 36.604 1.00 61.00 1SG 911 ATOM 911 C VAL 114 0.483 69.748 37.383 1.00 61.00 1SG 912 ATOM 912 O VAL 114 -0.570 69.174 37.663 1.00 61.00 1SG 913 ATOM 913 N ASP 115 1.671 69.266 37.767 1.00 93.02 1SG 914 ATOM 914 CA ASP 115 1.699 68.098 38.587 1.00 93.02 1SG 915 ATOM 915 CB ASP 115 2.925 67.209 38.313 1.00 93.02 1SG 916 ATOM 916 CG ASP 115 2.759 65.889 39.056 1.00 93.02 1SG 917 ATOM 917 OD1 ASP 115 1.636 65.625 39.563 1.00 93.02 1SG 918 ATOM 918 OD2 ASP 115 3.757 65.124 39.121 1.00 93.02 1SG 919 ATOM 919 C ASP 115 1.834 68.602 39.981 1.00 93.02 1SG 920 ATOM 920 O ASP 115 2.356 67.915 40.854 1.00 93.02 1SG 921 ATOM 921 N LEU 116 1.366 69.834 40.236 1.00179.82 1SG 922 ATOM 922 CA LEU 116 1.469 70.330 41.574 1.00179.82 1SG 923 ATOM 923 CB LEU 116 2.332 71.600 41.769 1.00179.82 1SG 924 ATOM 924 CG LEU 116 2.439 71.980 43.272 1.00179.82 1SG 925 ATOM 925 CD2 LEU 116 2.626 73.494 43.509 1.00179.82 1SG 926 ATOM 926 CD1 LEU 116 3.446 71.067 44.003 1.00179.82 1SG 927 ATOM 927 C LEU 116 0.090 70.731 41.948 1.00179.82 1SG 928 ATOM 928 O LEU 116 -0.606 70.034 42.683 1.00179.82 1SG 929 ATOM 929 N SER 117 -0.328 71.898 41.420 1.00 94.85 1SG 930 ATOM 930 CA SER 117 -1.600 72.446 41.757 1.00 94.85 1SG 931 ATOM 931 CB SER 117 -1.758 73.926 41.373 1.00 94.85 1SG 932 ATOM 932 OG SER 117 -3.051 74.383 41.743 1.00 94.85 1SG 933 ATOM 933 C SER 117 -2.689 71.692 41.068 1.00 94.85 1SG 934 ATOM 934 O SER 117 -2.563 71.272 39.918 1.00 94.85 1SG 935 ATOM 935 N GLU 118 -3.800 71.508 41.802 1.00 65.71 1SG 936 ATOM 936 CA GLU 118 -4.967 70.849 41.309 1.00 65.71 1SG 937 ATOM 937 CB GLU 118 -4.960 69.328 41.519 1.00 65.71 1SG 938 ATOM 938 CG GLU 118 -4.828 68.912 42.984 1.00 65.71 1SG 939 ATOM 939 CD GLU 118 -4.834 67.391 43.034 1.00 65.71 1SG 940 ATOM 940 OE1 GLU 118 -4.924 66.764 41.945 1.00 65.71 1SG 941 ATOM 941 OE2 GLU 118 -4.755 66.835 44.162 1.00 65.71 1SG 942 ATOM 942 C GLU 118 -6.098 71.412 42.102 1.00 65.71 1SG 943 ATOM 943 O GLU 118 -5.884 72.184 43.036 1.00 65.71 1SG 944 ATOM 944 N VAL 119 -7.344 71.060 41.736 1.00 27.59 1SG 945 ATOM 945 CA VAL 119 -8.454 71.584 42.471 1.00 27.59 1SG 946 ATOM 946 CB VAL 119 -9.762 71.294 41.801 1.00 27.59 1SG 947 ATOM 947 CG1 VAL 119 -10.907 71.794 42.693 1.00 27.59 1SG 948 ATOM 948 CG2 VAL 119 -9.734 71.928 40.399 1.00 27.59 1SG 949 ATOM 949 C VAL 119 -8.448 70.915 43.808 1.00 27.59 1SG 950 ATOM 950 O VAL 119 -8.417 69.689 43.899 1.00 27.59 1SG 951 ATOM 951 N ARG 120 -8.459 71.718 44.891 1.00 76.61 1SG 952 ATOM 952 CA ARG 120 -8.436 71.147 46.207 1.00 76.61 1SG 953 ATOM 953 CB ARG 120 -8.360 72.203 47.326 1.00 76.61 1SG 954 ATOM 954 CG ARG 120 -8.321 71.605 48.738 1.00 76.61 1SG 955 ATOM 955 CD ARG 120 -8.250 72.656 49.852 1.00 76.61 1SG 956 ATOM 956 NE ARG 120 -8.221 71.938 51.160 1.00 76.61 1SG 957 ATOM 957 CZ ARG 120 -8.054 72.632 52.324 1.00 76.61 1SG 958 ATOM 958 NH1 ARG 120 -7.904 73.989 52.297 1.00 76.61 1SG 959 ATOM 959 NH2 ARG 120 -8.040 71.971 53.519 1.00 76.61 1SG 960 ATOM 960 C ARG 120 -9.696 70.378 46.395 1.00 76.61 1SG 961 ATOM 961 O ARG 120 -9.676 69.229 46.833 1.00 76.61 1SG 962 ATOM 962 N TRP 121 -10.838 70.991 46.036 1.00 26.27 1SG 963 ATOM 963 CA TRP 121 -12.096 70.326 46.201 1.00 26.27 1SG 964 ATOM 964 CB TRP 121 -13.304 71.275 46.056 1.00 26.27 1SG 965 ATOM 965 CG TRP 121 -13.341 72.049 44.759 1.00 26.27 1SG 966 ATOM 966 CD2 TRP 121 -14.033 71.623 43.574 1.00 26.27 1SG 967 ATOM 967 CD1 TRP 121 -12.761 73.247 44.457 1.00 26.27 1SG 968 ATOM 968 NE1 TRP 121 -13.029 73.583 43.152 1.00 26.27 1SG 969 ATOM 969 CE2 TRP 121 -13.816 72.595 42.598 1.00 26.27 1SG 970 ATOM 970 CE3 TRP 121 -14.788 70.514 43.321 1.00 26.27 1SG 971 ATOM 971 CZ2 TRP 121 -14.351 72.471 41.348 1.00 26.27 1SG 972 ATOM 972 CZ3 TRP 121 -15.326 70.391 42.060 1.00 26.27 1SG 973 ATOM 973 CH2 TRP 121 -15.110 71.350 41.092 1.00 26.27 1SG 974 ATOM 974 C TRP 121 -12.186 69.233 45.145 1.00 26.27 1SG 975 ATOM 975 O TRP 121 -11.115 68.835 44.618 1.00 26.27 1SG 976 ATOM 976 OXT TRP 121 -13.324 68.775 44.856 1.00 26.27 1SG 977 TER END PFRMAT TS TARGET t0227 AUTHOR LOOPP SCORE 0.507 REMARK SCORE 0.507 CONFIDENCE NONE REMARK LOOPP v3.0 with LOOPP driver v3.1 [ALI] (08/24/04 12:18 EST) (compiled Sep 20 2004 17:13:12) REMARK prediction finished on Mon Oct 11 09:03:25 2004 EST METHOD Automated LOOPP protein structure prediction server METHOD http://ser-loopp.tc.cornell.edu/cbsu/loopp.htm METHOD LOOPP is a fold recognition program based on the collection METHOD of numerous signals, merging them into a single score, and METHOD generating atomic coordinates based on an alignment into a METHOD homologue template structure. The signals we are using include METHOD straightforward sequence alignment, sequence profile, threading, METHOD secondary structure and exposed surface area prediction. METHOD (Secondary structure and exposed surface prediction program (sable) METHOD was developed in the group of our collaborator Professor Jaroslaw METHOD Meller). These individual signals are combined locally to create METHOD mixed models and globally to provide overall scores. Computations METHOD of scores to those that can be done quickly are performed for all METHOD proteins in our database and expensive scores (such as Z score METHOD calculations) are computed only for those that score highly with the METHOD 'cheap' score. Atomic models are then generated using an alignment METHOD produced by the scoring scheme and the Modeller program of Andrej Sali. METHOD The final atomic structure is evaluated by additional energy scores. METHOD The energies used, and the combination of individual scores are METHOD determined by a Mathematical Programming algorithm. MODEL 20 PARENT 1FIT ATOM 1 N ARG 3 10.806 31.897 30.491 1.00 50.02 1SG 2 ATOM 2 CA ARG 3 11.512 32.993 31.192 1.00 50.02 1SG 3 ATOM 3 CB ARG 3 10.657 33.500 32.366 1.00 50.02 1SG 4 ATOM 4 CG ARG 3 9.340 34.123 31.896 1.00 50.02 1SG 5 ATOM 5 CD ARG 3 8.382 34.514 33.023 1.00 50.02 1SG 6 ATOM 6 NE ARG 3 7.171 35.097 32.378 1.00 50.02 1SG 7 ATOM 7 CZ ARG 3 5.927 34.823 32.872 1.00 50.02 1SG 8 ATOM 8 NH1 ARG 3 5.785 34.019 33.966 1.00 50.02 1SG 9 ATOM 9 NH2 ARG 3 4.825 35.354 32.268 1.00 50.02 1SG 10 ATOM 10 C ARG 3 12.815 32.488 31.709 1.00 50.02 1SG 11 ATOM 11 O ARG 3 13.155 31.319 31.535 1.00 50.02 1SG 12 ATOM 12 N PRO 4 13.573 33.351 32.318 1.00 51.52 1SG 13 ATOM 13 CA PRO 4 14.828 32.922 32.853 1.00 51.52 1SG 14 ATOM 14 CD PRO 4 13.585 34.756 31.948 1.00 51.52 1SG 15 ATOM 15 CB PRO 4 15.557 34.198 33.264 1.00 51.52 1SG 16 ATOM 16 CG PRO 4 15.001 35.254 32.289 1.00 51.52 1SG 17 ATOM 17 C PRO 4 14.574 31.961 33.958 1.00 51.52 1SG 18 ATOM 18 O PRO 4 15.433 31.128 34.242 1.00 51.52 1SG 19 ATOM 19 N LYS 5 13.405 32.076 34.608 1.00 60.83 1SG 20 ATOM 20 CA LYS 5 13.093 31.192 35.684 1.00 60.83 1SG 21 ATOM 21 CB LYS 5 11.740 31.552 36.330 1.00 60.83 1SG 22 ATOM 22 CG LYS 5 11.435 30.841 37.650 1.00 60.83 1SG 23 ATOM 23 CD LYS 5 10.267 31.482 38.408 1.00 60.83 1SG 24 ATOM 24 CE LYS 5 9.931 30.804 39.738 1.00 60.83 1SG 25 ATOM 25 NZ LYS 5 8.794 31.499 40.387 1.00 60.83 1SG 26 ATOM 26 C LYS 5 12.992 29.808 35.125 1.00 60.83 1SG 27 ATOM 27 O LYS 5 13.616 28.878 35.632 1.00 60.83 1SG 28 ATOM 28 N LEU 6 12.198 29.647 34.046 1.00131.81 1SG 29 ATOM 29 CA LEU 6 11.980 28.354 33.465 1.00131.81 1SG 30 ATOM 30 CB LEU 6 10.810 28.330 32.470 1.00131.81 1SG 31 ATOM 31 CG LEU 6 10.489 26.917 31.952 1.00131.81 1SG 32 ATOM 32 CD2 LEU 6 9.427 26.958 30.843 1.00131.81 1SG 33 ATOM 33 CD1 LEU 6 10.091 25.982 33.106 1.00131.81 1SG 34 ATOM 34 C LEU 6 13.207 27.842 32.768 1.00131.81 1SG 35 ATOM 35 O LEU 6 13.586 26.687 32.953 1.00131.81 1SG 36 ATOM 36 N GLY 7 13.870 28.678 31.939 1.00 36.24 1SG 37 ATOM 37 CA GLY 7 15.033 28.185 31.254 1.00 36.24 1SG 38 ATOM 38 C GLY 7 16.052 27.945 32.309 1.00 36.24 1SG 39 ATOM 39 O GLY 7 16.716 28.874 32.767 1.00 36.24 1SG 40 ATOM 40 N LEU 8 16.202 26.679 32.733 1.00160.96 1SG 41 ATOM 41 CA LEU 8 17.118 26.469 33.805 1.00160.96 1SG 42 ATOM 42 CB LEU 8 16.926 25.151 34.586 1.00160.96 1SG 43 ATOM 43 CG LEU 8 17.287 23.836 33.879 1.00160.96 1SG 44 ATOM 44 CD2 LEU 8 16.673 22.651 34.644 1.00160.96 1SG 45 ATOM 45 CD1 LEU 8 18.805 23.695 33.671 1.00160.96 1SG 46 ATOM 46 C LEU 8 18.525 26.623 33.355 1.00160.96 1SG 47 ATOM 47 O LEU 8 19.325 27.248 34.050 1.00160.96 1SG 48 ATOM 48 N ILE 9 18.889 26.088 32.175 1.00109.74 1SG 49 ATOM 49 CA ILE 9 20.284 26.250 31.923 1.00109.74 1SG 50 ATOM 50 CB ILE 9 21.090 25.016 32.206 1.00109.74 1SG 51 ATOM 51 CG2 ILE 9 20.849 24.018 31.063 1.00109.74 1SG 52 ATOM 52 CG1 ILE 9 22.568 25.389 32.418 1.00109.74 1SG 53 ATOM 53 CD1 ILE 9 23.365 24.350 33.209 1.00109.74 1SG 54 ATOM 54 C ILE 9 20.543 26.726 30.536 1.00109.74 1SG 55 ATOM 55 O ILE 9 19.932 26.293 29.558 1.00109.74 1SG 56 ATOM 56 N VAL 10 21.477 27.688 30.458 1.00 44.90 1SG 57 ATOM 57 CA VAL 10 21.927 28.252 29.230 1.00 44.90 1SG 58 ATOM 58 CB VAL 10 21.670 29.727 29.143 1.00 44.90 1SG 59 ATOM 59 CG1 VAL 10 22.296 30.263 27.846 1.00 44.90 1SG 60 ATOM 60 CG2 VAL 10 20.157 29.970 29.264 1.00 44.90 1SG 61 ATOM 61 C VAL 10 23.403 28.075 29.272 1.00 44.90 1SG 62 ATOM 62 O VAL 10 24.021 28.224 30.325 1.00 44.90 1SG 63 ATOM 63 N ARG 11 24.014 27.724 28.130 1.00143.04 1SG 64 ATOM 64 CA ARG 11 25.434 27.593 28.166 1.00143.04 1SG 65 ATOM 65 CB ARG 11 25.986 26.225 27.727 1.00143.04 1SG 66 ATOM 66 CG ARG 11 27.472 26.079 28.070 1.00143.04 1SG 67 ATOM 67 CD ARG 11 28.096 24.741 27.674 1.00143.04 1SG 68 ATOM 68 NE ARG 11 29.527 24.794 28.089 1.00143.04 1SG 69 ATOM 69 CZ ARG 11 30.363 23.745 27.832 1.00143.04 1SG 70 ATOM 70 NH1 ARG 11 29.899 22.646 27.170 1.00143.04 1SG 71 ATOM 71 NH2 ARG 11 31.665 23.798 28.240 1.00143.04 1SG 72 ATOM 72 C ARG 11 25.948 28.619 27.227 1.00143.04 1SG 73 ATOM 73 O ARG 11 25.155 29.291 26.565 1.00143.04 1SG 74 ATOM 74 N GLU 12 27.288 28.770 27.176 1.00189.78 1SG 75 ATOM 75 CA GLU 12 27.893 29.751 26.327 1.00189.78 1SG 76 ATOM 76 CB GLU 12 29.426 29.656 26.249 1.00189.78 1SG 77 ATOM 77 CG GLU 12 29.932 28.323 25.695 1.00189.78 1SG 78 ATOM 78 CD GLU 12 31.452 28.389 25.623 1.00189.78 1SG 79 ATOM 79 OE1 GLU 12 32.061 29.003 26.540 1.00189.78 1SG 80 ATOM 80 OE2 GLU 12 32.023 27.831 24.648 1.00189.78 1SG 81 ATOM 81 C GLU 12 27.347 29.513 24.965 1.00189.78 1SG 82 ATOM 82 O GLU 12 27.176 28.375 24.526 1.00189.78 1SG 83 ATOM 83 N PRO 13 27.038 30.611 24.333 1.00114.75 1SG 84 ATOM 84 CA PRO 13 26.378 30.581 23.063 1.00114.75 1SG 85 ATOM 85 CD PRO 13 27.838 31.815 24.488 1.00114.75 1SG 86 ATOM 86 CB PRO 13 26.373 32.019 22.569 1.00114.75 1SG 87 ATOM 87 CG PRO 13 27.676 32.580 23.165 1.00114.75 1SG 88 ATOM 88 C PRO 13 27.146 29.710 22.143 1.00114.75 1SG 89 ATOM 89 O PRO 13 28.367 29.839 22.077 1.00114.75 1SG 90 ATOM 90 N TYR 14 26.444 28.818 21.433 1.00301.98 1SG 91 ATOM 91 CA TYR 14 27.092 27.944 20.516 1.00301.98 1SG 92 ATOM 92 CB TYR 14 26.801 26.460 20.799 1.00301.98 1SG 93 ATOM 93 CG TYR 14 27.505 25.638 19.777 1.00301.98 1SG 94 ATOM 94 CD1 TYR 14 28.829 25.305 19.932 1.00301.98 1SG 95 ATOM 95 CD2 TYR 14 26.829 25.196 18.664 1.00301.98 1SG 96 ATOM 96 CE1 TYR 14 29.476 24.544 18.985 1.00301.98 1SG 97 ATOM 97 CE2 TYR 14 27.468 24.436 17.714 1.00301.98 1SG 98 ATOM 98 CZ TYR 14 28.794 24.110 17.875 1.00301.98 1SG 99 ATOM 99 OH TYR 14 29.450 23.332 16.900 1.00301.98 1SG 100 ATOM 100 C TYR 14 26.506 28.275 19.196 1.00301.98 1SG 101 ATOM 101 O TYR 14 25.305 28.521 19.085 1.00301.98 1SG 102 ATOM 102 N ALA 15 27.348 28.349 18.154 1.00237.50 1SG 103 ATOM 103 CA ALA 15 26.770 28.639 16.884 1.00237.50 1SG 104 ATOM 104 CB ALA 15 27.037 30.074 16.408 1.00237.50 1SG 105 ATOM 105 C ALA 15 27.388 27.722 15.888 1.00237.50 1SG 106 ATOM 106 O ALA 15 28.597 27.505 15.888 1.00237.50 1SG 107 ATOM 107 N SER 16 26.544 27.134 15.024 1.00183.63 1SG 108 ATOM 108 CA SER 16 27.068 26.320 13.977 1.00183.63 1SG 109 ATOM 109 CB SER 16 27.139 24.826 14.321 1.00183.63 1SG 110 ATOM 110 OG SER 16 27.668 24.101 13.220 1.00183.63 1SG 111 ATOM 111 C SER 16 26.109 26.468 12.855 1.00183.63 1SG 112 ATOM 112 O SER 16 24.899 26.387 13.042 1.00183.63 1SG 113 ATOM 113 N LEU 17 26.633 26.714 11.637 1.00269.15 1SG 114 ATOM 114 CA LEU 17 25.715 26.849 10.552 1.00269.15 1SG 115 ATOM 115 CB LEU 17 25.485 28.301 10.102 1.00269.15 1SG 116 ATOM 116 CG LEU 17 24.497 28.434 8.928 1.00269.15 1SG 117 ATOM 117 CD2 LEU 17 24.496 29.859 8.360 1.00269.15 1SG 118 ATOM 118 CD1 LEU 17 23.090 27.946 9.319 1.00269.15 1SG 119 ATOM 119 C LEU 17 26.268 26.103 9.391 1.00269.15 1SG 120 ATOM 120 O LEU 17 27.453 26.184 9.081 1.00269.15 1SG 121 ATOM 121 N ILE 18 25.386 25.333 8.739 1.00111.37 1SG 122 ATOM 122 CA ILE 18 25.702 24.610 7.552 1.00111.37 1SG 123 ATOM 123 CB ILE 18 25.833 23.123 7.732 1.00111.37 1SG 124 ATOM 124 CG2 ILE 18 24.448 22.548 8.066 1.00111.37 1SG 125 ATOM 125 CG1 ILE 18 26.491 22.490 6.492 1.00111.37 1SG 126 ATOM 126 CD1 ILE 18 26.958 21.046 6.709 1.00111.37 1SG 127 ATOM 127 C ILE 18 24.517 24.873 6.703 1.00111.37 1SG 128 ATOM 128 O ILE 18 23.595 25.557 7.143 1.00111.37 1SG 129 ATOM 129 N VAL 19 24.507 24.392 5.449 1.00 62.25 1SG 130 ATOM 130 CA VAL 19 23.353 24.678 4.651 1.00 62.25 1SG 131 ATOM 131 CB VAL 19 23.427 24.128 3.255 1.00 62.25 1SG 132 ATOM 132 CG1 VAL 19 22.107 24.438 2.531 1.00 62.25 1SG 133 ATOM 133 CG2 VAL 19 24.656 24.736 2.560 1.00 62.25 1SG 134 ATOM 134 C VAL 19 22.178 24.063 5.346 1.00 62.25 1SG 135 ATOM 135 O VAL 19 22.291 23.031 6.007 1.00 62.25 1SG 136 ATOM 136 N ASP 20 21.006 24.710 5.214 1.00200.07 1SG 137 ATOM 137 CA ASP 20 19.800 24.279 5.852 1.00200.07 1SG 138 ATOM 138 CB ASP 20 19.565 22.771 5.671 1.00200.07 1SG 139 ATOM 139 CG ASP 20 19.354 22.513 4.188 1.00200.07 1SG 140 ATOM 140 OD1 ASP 20 18.961 23.468 3.464 1.00200.07 1SG 141 ATOM 141 OD2 ASP 20 19.593 21.356 3.755 1.00200.07 1SG 142 ATOM 142 C ASP 20 19.862 24.567 7.331 1.00200.07 1SG 143 ATOM 143 O ASP 20 19.065 24.023 8.098 1.00200.07 1SG 144 ATOM 144 N GLY 21 20.806 25.431 7.770 1.00130.68 1SG 145 ATOM 145 CA GLY 21 20.856 25.894 9.140 1.00130.68 1SG 146 ATOM 146 C GLY 21 20.978 24.734 10.074 1.00130.68 1SG 147 ATOM 147 O GLY 21 21.517 23.698 9.693 1.00130.68 1SG 148 ATOM 148 N ARG 22 20.512 24.953 11.333 1.00293.00 1SG 149 ATOM 149 CA ARG 22 20.418 24.017 12.429 1.00293.00 1SG 150 ATOM 150 CB ARG 22 21.149 22.679 12.202 1.00293.00 1SG 151 ATOM 151 CG ARG 22 20.436 21.730 11.227 1.00293.00 1SG 152 ATOM 152 CD ARG 22 21.419 20.987 10.322 1.00293.00 1SG 153 ATOM 153 NE ARG 22 20.665 20.291 9.241 1.00293.00 1SG 154 ATOM 154 CZ ARG 22 21.341 19.861 8.133 1.00293.00 1SG 155 ATOM 155 NH1 ARG 22 22.659 20.175 7.981 1.00293.00 1SG 156 ATOM 156 NH2 ARG 22 20.708 19.106 7.187 1.00293.00 1SG 157 ATOM 157 C ARG 22 20.995 24.669 13.650 1.00293.00 1SG 158 ATOM 158 O ARG 22 22.105 25.183 13.613 1.00293.00 1SG 159 ATOM 159 N LYS 23 20.238 24.666 14.774 1.00379.21 1SG 160 ATOM 160 CA LYS 23 20.681 25.222 16.030 1.00379.21 1SG 161 ATOM 161 CB LYS 23 20.640 26.754 16.102 1.00379.21 1SG 162 ATOM 162 CG LYS 23 21.619 27.467 15.162 1.00379.21 1SG 163 ATOM 163 CD LYS 23 23.078 27.061 15.365 1.00379.21 1SG 164 ATOM 164 CE LYS 23 23.378 26.505 16.759 1.00379.21 1SG 165 ATOM 165 NZ LYS 23 23.091 27.541 17.773 1.00379.21 1SG 166 ATOM 166 C LYS 23 19.746 24.718 17.088 1.00379.21 1SG 167 ATOM 167 O LYS 23 18.720 24.111 16.784 1.00379.21 1SG 168 ATOM 168 N VAL 24 20.094 24.935 18.370 1.00203.83 1SG 169 ATOM 169 CA VAL 24 19.309 24.446 19.467 1.00203.83 1SG 170 ATOM 170 CB VAL 24 19.869 23.067 19.770 1.00203.83 1SG 171 ATOM 171 CG1 VAL 24 21.393 23.206 19.917 1.00203.83 1SG 172 ATOM 172 CG2 VAL 24 19.187 22.370 20.941 1.00203.83 1SG 173 ATOM 173 C VAL 24 19.493 25.461 20.567 1.00203.83 1SG 174 ATOM 174 O VAL 24 20.612 25.950 20.656 1.00203.83 1SG 175 ATOM 175 N TRP 25 18.450 25.816 21.388 1.00159.22 1SG 176 ATOM 176 CA TRP 25 18.418 26.727 22.553 1.00159.22 1SG 177 ATOM 177 CB TRP 25 17.611 28.027 22.306 1.00159.22 1SG 178 ATOM 178 CG TRP 25 16.974 28.607 23.559 1.00159.22 1SG 179 ATOM 179 CD2 TRP 25 17.582 29.438 24.559 1.00159.22 1SG 180 ATOM 180 CD1 TRP 25 15.686 28.403 23.966 1.00159.22 1SG 181 ATOM 181 NE1 TRP 25 15.458 29.046 25.160 1.00159.22 1SG 182 ATOM 182 CE2 TRP 25 16.620 29.680 25.537 1.00159.22 1SG 183 ATOM 183 CE3 TRP 25 18.843 29.955 24.669 1.00159.22 1SG 184 ATOM 184 CZ2 TRP 25 16.889 30.445 26.639 1.00159.22 1SG 185 ATOM 185 CZ3 TRP 25 19.113 30.718 25.781 1.00159.22 1SG 186 ATOM 186 CH2 TRP 25 18.161 30.960 26.750 1.00159.22 1SG 187 ATOM 187 C TRP 25 17.730 26.045 23.713 1.00159.22 1SG 188 ATOM 188 O TRP 25 16.757 25.357 23.472 1.00159.22 1SG 189 ATOM 189 N GLU 26 18.095 26.281 25.012 1.00133.27 1SG 190 ATOM 190 CA GLU 26 17.590 25.393 26.057 1.00133.27 1SG 191 ATOM 191 CB GLU 26 18.728 24.864 26.927 1.00133.27 1SG 192 ATOM 192 CG GLU 26 18.325 23.668 27.770 1.00133.27 1SG 193 ATOM 193 CD GLU 26 19.581 23.208 28.480 1.00133.27 1SG 194 ATOM 194 OE1 GLU 26 20.679 23.728 28.143 1.00133.27 1SG 195 ATOM 195 OE2 GLU 26 19.460 22.329 29.372 1.00133.27 1SG 196 ATOM 196 C GLU 26 16.536 25.947 27.000 1.00133.27 1SG 197 ATOM 197 O GLU 26 16.663 27.033 27.568 1.00133.27 1SG 198 ATOM 198 N ILE 27 15.457 25.146 27.221 1.00142.61 1SG 199 ATOM 199 CA ILE 27 14.414 25.550 28.135 1.00142.61 1SG 200 ATOM 200 CB ILE 27 13.341 26.395 27.511 1.00142.61 1SG 201 ATOM 201 CG2 ILE 27 12.483 25.519 26.577 1.00142.61 1SG 202 ATOM 202 CG1 ILE 27 12.543 27.117 28.611 1.00142.61 1SG 203 ATOM 203 CD1 ILE 27 11.690 28.272 28.091 1.00142.61 1SG 204 ATOM 204 C ILE 27 13.765 24.345 28.766 1.00142.61 1SG 205 ATOM 205 O ILE 27 13.981 23.206 28.349 1.00142.61 1SG 206 ATOM 206 N ARG 28 12.962 24.602 29.823 1.00140.96 1SG 207 ATOM 207 CA ARG 28 12.263 23.620 30.611 1.00140.96 1SG 208 ATOM 208 CB ARG 28 12.082 24.067 32.070 1.00140.96 1SG 209 ATOM 209 CG ARG 28 11.459 23.005 32.969 1.00140.96 1SG 210 ATOM 210 CD ARG 28 11.254 23.467 34.413 1.00140.96 1SG 211 ATOM 211 NE ARG 28 10.675 22.310 35.150 1.00140.96 1SG 212 ATOM 212 CZ ARG 28 10.485 22.378 36.498 1.00140.96 1SG 213 ATOM 213 NH1 ARG 28 10.791 23.527 37.170 1.00140.96 1SG 214 ATOM 214 NH2 ARG 28 9.988 21.298 37.169 1.00140.96 1SG 215 ATOM 215 C ARG 28 10.903 23.388 30.033 1.00140.96 1SG 216 ATOM 216 O ARG 28 10.450 24.120 29.153 1.00140.96 1SG 217 ATOM 217 N ARG 29 10.223 22.322 30.518 1.00113.63 1SG 218 ATOM 218 CA ARG 29 8.925 21.959 30.010 1.00113.63 1SG 219 ATOM 219 CB ARG 29 8.838 20.491 29.604 1.00113.63 1SG 220 ATOM 220 CG ARG 29 9.793 20.110 28.481 1.00113.63 1SG 221 ATOM 221 CD ARG 29 9.778 18.611 28.211 1.00113.63 1SG 222 ATOM 222 NE ARG 29 10.608 18.382 26.999 1.00113.63 1SG 223 ATOM 223 CZ ARG 29 10.594 17.157 26.400 1.00113.63 1SG 224 ATOM 224 NH1 ARG 29 9.878 16.136 26.955 1.00113.63 1SG 225 ATOM 225 NH2 ARG 29 11.290 16.954 25.244 1.00113.63 1SG 226 ATOM 226 C ARG 29 7.882 22.112 31.078 1.00113.63 1SG 227 ATOM 227 O ARG 29 8.095 21.749 32.234 1.00113.63 1SG 228 ATOM 228 N ARG 30 6.717 22.680 30.701 1.00148.20 1SG 229 ATOM 229 CA ARG 30 5.613 22.807 31.614 1.00148.20 1SG 230 ATOM 230 CB ARG 30 4.419 23.564 31.003 1.00148.20 1SG 231 ATOM 231 CG ARG 30 3.175 23.592 31.896 1.00148.20 1SG 232 ATOM 232 CD ARG 30 3.353 24.415 33.170 1.00148.20 1SG 233 ATOM 233 NE ARG 30 3.023 25.828 32.837 1.00148.20 1SG 234 ATOM 234 CZ ARG 30 1.882 26.392 33.327 1.00148.20 1SG 235 ATOM 235 NH1 ARG 30 1.070 25.674 34.158 1.00148.20 1SG 236 ATOM 236 NH2 ARG 30 1.563 27.677 32.995 1.00148.20 1SG 237 ATOM 237 C ARG 30 5.119 21.439 31.936 1.00148.20 1SG 238 ATOM 238 O ARG 30 4.908 21.091 33.098 1.00148.20 1SG 239 ATOM 239 N LYS 31 4.929 20.622 30.884 1.00 53.66 1SG 240 ATOM 240 CA LYS 31 4.433 19.296 31.075 1.00 53.66 1SG 241 ATOM 241 CB LYS 31 3.251 18.958 30.152 1.00 53.66 1SG 242 ATOM 242 CG LYS 31 2.076 19.920 30.336 1.00 53.66 1SG 243 ATOM 243 CD LYS 31 1.097 19.927 29.159 1.00 53.66 1SG 244 ATOM 244 CE LYS 31 0.063 21.054 29.223 1.00 53.66 1SG 245 ATOM 245 NZ LYS 31 -0.661 21.145 27.934 1.00 53.66 1SG 246 ATOM 246 C LYS 31 5.552 18.395 30.703 1.00 53.66 1SG 247 ATOM 247 O LYS 31 5.772 18.090 29.533 1.00 53.66 1SG 248 ATOM 248 N THR 32 6.304 17.950 31.714 1.00100.47 1SG 249 ATOM 249 CA THR 32 7.389 17.066 31.460 1.00100.47 1SG 250 ATOM 250 CB THR 32 8.455 17.173 32.507 1.00100.47 1SG 251 ATOM 251 OG1 THR 32 7.895 16.971 33.793 1.00100.47 1SG 252 ATOM 252 CG2 THR 32 9.029 18.592 32.432 1.00100.47 1SG 253 ATOM 253 C THR 32 6.827 15.683 31.429 1.00100.47 1SG 254 ATOM 254 O THR 32 5.910 15.364 32.185 1.00100.47 1SG 255 ATOM 255 N ARG 33 7.369 14.820 30.552 1.00 99.13 1SG 256 ATOM 256 CA ARG 33 6.848 13.495 30.407 1.00 99.13 1SG 257 ATOM 257 CB ARG 33 7.586 12.676 29.334 1.00 99.13 1SG 258 ATOM 258 CG ARG 33 7.023 11.267 29.151 1.00 99.13 1SG 259 ATOM 259 CD ARG 33 7.874 10.389 28.236 1.00 99.13 1SG 260 ATOM 260 NE ARG 33 7.079 9.162 27.962 1.00 99.13 1SG 261 ATOM 261 CZ ARG 33 7.184 8.548 26.746 1.00 99.13 1SG 262 ATOM 262 NH1 ARG 33 8.062 9.025 25.817 1.00 99.13 1SG 263 ATOM 263 NH2 ARG 33 6.415 7.458 26.456 1.00 99.13 1SG 264 ATOM 264 C ARG 33 7.010 12.774 31.702 1.00 99.13 1SG 265 ATOM 265 O ARG 33 6.097 12.117 32.194 1.00 99.13 1SG 266 ATOM 266 N HIS 34 8.204 12.900 32.289 1.00122.85 1SG 267 ATOM 267 CA HIS 34 8.486 12.262 33.531 1.00122.85 1SG 268 ATOM 268 ND1 HIS 34 9.771 9.064 34.416 1.00122.85 1SG 269 ATOM 269 CG HIS 34 9.949 10.411 34.596 1.00122.85 1SG 270 ATOM 270 CB HIS 34 9.778 11.408 33.488 1.00122.85 1SG 271 ATOM 271 NE2 HIS 34 10.326 9.327 36.547 1.00122.85 1SG 272 ATOM 272 CD2 HIS 34 10.288 10.553 35.916 1.00122.85 1SG 273 ATOM 273 CE1 HIS 34 10.005 8.458 35.607 1.00122.85 1SG 274 ATOM 274 C HIS 34 8.704 13.383 34.489 1.00122.85 1SG 275 ATOM 275 O HIS 34 8.652 14.539 34.098 1.00122.85 1SG 276 ATOM 276 N ARG 35 8.897 13.090 35.787 1.00135.84 1SG 277 ATOM 277 CA ARG 35 9.168 14.205 36.643 1.00135.84 1SG 278 ATOM 278 CB ARG 35 9.137 13.853 38.141 1.00135.84 1SG 279 ATOM 279 CG ARG 35 8.000 12.916 38.542 1.00135.84 1SG 280 ATOM 280 CD ARG 35 8.279 11.475 38.102 1.00135.84 1SG 281 ATOM 281 NE ARG 35 7.176 10.603 38.593 1.00135.84 1SG 282 ATOM 282 CZ ARG 35 6.002 10.566 37.897 1.00135.84 1SG 283 ATOM 283 NH1 ARG 35 5.840 11.407 36.841 1.00135.84 1SG 284 ATOM 284 NH2 ARG 35 4.994 9.739 38.297 1.00135.84 1SG 285 ATOM 285 C ARG 35 10.594 14.490 36.336 1.00135.84 1SG 286 ATOM 286 O ARG 35 11.364 13.538 36.255 1.00135.84 1SG 287 ATOM 287 N GLY 36 10.993 15.750 36.093 1.00 48.42 1SG 288 ATOM 288 CA GLY 36 12.402 15.990 35.886 1.00 48.42 1SG 289 ATOM 289 C GLY 36 12.747 16.155 34.431 1.00 48.42 1SG 290 ATOM 290 O GLY 36 13.846 16.643 34.154 1.00 48.42 1SG 291 ATOM 291 N PRO 37 11.942 15.792 33.467 1.00112.22 1SG 292 ATOM 292 CA PRO 37 12.434 16.062 32.161 1.00112.22 1SG 293 ATOM 293 CD PRO 37 11.378 14.459 33.446 1.00112.22 1SG 294 ATOM 294 CB PRO 37 11.562 15.288 31.180 1.00112.22 1SG 295 ATOM 295 CG PRO 37 10.689 14.391 32.071 1.00112.22 1SG 296 ATOM 296 C PRO 37 12.645 17.484 31.826 1.00112.22 1SG 297 ATOM 297 O PRO 37 11.748 18.310 31.997 1.00112.22 1SG 298 ATOM 298 N LEU 38 13.860 17.773 31.342 1.00149.61 1SG 299 ATOM 299 CA LEU 38 14.161 19.070 30.850 1.00149.61 1SG 300 ATOM 300 CB LEU 38 15.366 19.787 31.483 1.00149.61 1SG 301 ATOM 301 CG LEU 38 15.387 21.277 31.092 1.00149.61 1SG 302 ATOM 302 CD2 LEU 38 16.789 21.892 31.070 1.00149.61 1SG 303 ATOM 303 CD1 LEU 38 14.379 22.060 31.936 1.00149.61 1SG 304 ATOM 304 C LEU 38 14.568 18.777 29.460 1.00149.61 1SG 305 ATOM 305 O LEU 38 14.567 17.622 29.033 1.00149.61 1SG 306 ATOM 306 N GLY 39 14.886 19.818 28.698 1.00 44.67 1SG 307 ATOM 307 CA GLY 39 15.336 19.490 27.388 1.00 44.67 1SG 308 ATOM 308 C GLY 39 16.695 20.073 27.220 1.00 44.67 1SG 309 ATOM 309 O GLY 39 16.932 21.224 27.591 1.00 44.67 1SG 310 ATOM 310 N ILE 40 17.637 19.293 26.658 1.00149.92 1SG 311 ATOM 311 CA ILE 40 18.838 19.993 26.393 1.00149.92 1SG 312 ATOM 312 CB ILE 40 20.148 19.337 26.704 1.00149.92 1SG 313 ATOM 313 CG2 ILE 40 20.402 18.132 25.781 1.00149.92 1SG 314 ATOM 314 CG1 ILE 40 21.184 20.465 26.591 1.00149.92 1SG 315 ATOM 315 CD1 ILE 40 22.462 20.249 27.376 1.00149.92 1SG 316 ATOM 316 C ILE 40 18.745 20.363 24.982 1.00149.92 1SG 317 ATOM 317 O ILE 40 18.859 19.583 24.033 1.00149.92 1SG 318 ATOM 318 N VAL 41 18.435 21.642 24.877 1.00161.83 1SG 319 ATOM 319 CA VAL 41 18.187 22.330 23.691 1.00161.83 1SG 320 ATOM 320 CB VAL 41 16.732 22.686 23.849 1.00161.83 1SG 321 ATOM 321 CG1 VAL 41 16.052 22.927 22.499 1.00161.83 1SG 322 ATOM 322 CG2 VAL 41 16.089 21.576 24.712 1.00161.83 1SG 323 ATOM 323 C VAL 41 19.314 23.292 23.951 1.00161.83 1SG 324 ATOM 324 O VAL 41 19.864 23.234 25.052 1.00161.83 1SG 325 ATOM 325 N SER 42 19.758 24.165 23.037 1.00214.98 1SG 326 ATOM 326 CA SER 42 21.067 24.642 23.396 1.00214.98 1SG 327 ATOM 327 CB SER 42 22.191 23.875 22.671 1.00214.98 1SG 328 ATOM 328 OG SER 42 23.440 24.135 23.282 1.00214.98 1SG 329 ATOM 329 C SER 42 21.343 26.120 23.251 1.00214.98 1SG 330 ATOM 330 O SER 42 20.746 26.962 23.921 1.00214.98 1SG 331 ATOM 331 N GLY 43 22.403 26.436 22.462 1.00 96.29 1SG 332 ATOM 332 CA GLY 43 22.898 27.762 22.168 1.00 96.29 1SG 333 ATOM 333 C GLY 43 22.080 28.686 21.285 1.00 96.29 1SG 334 ATOM 334 O GLY 43 21.876 29.834 21.671 1.00 96.29 1SG 335 ATOM 335 N GLY 44 21.601 28.266 20.083 1.00170.23 1SG 336 ATOM 336 CA GLY 44 20.950 29.224 19.207 1.00170.23 1SG 337 ATOM 337 C GLY 44 19.784 28.613 18.471 1.00170.23 1SG 338 ATOM 338 O GLY 44 19.455 27.449 18.647 1.00170.23 1SG 339 ATOM 339 N ARG 45 19.115 29.422 17.606 1.00329.06 1SG 340 ATOM 340 CA ARG 45 17.930 28.930 16.951 1.00329.06 1SG 341 ATOM 341 CB ARG 45 16.661 29.351 17.704 1.00329.06 1SG 342 ATOM 342 CG ARG 45 15.360 28.913 17.039 1.00329.06 1SG 343 ATOM 343 CD ARG 45 14.128 29.377 17.816 1.00329.06 1SG 344 ATOM 344 NE ARG 45 12.920 28.985 17.045 1.00329.06 1SG 345 ATOM 345 CZ ARG 45 11.794 28.601 17.716 1.00329.06 1SG 346 ATOM 346 NH1 ARG 45 11.799 28.537 19.079 1.00329.06 1SG 347 ATOM 347 NH2 ARG 45 10.666 28.274 17.027 1.00329.06 1SG 348 ATOM 348 C ARG 45 17.781 29.476 15.552 1.00329.06 1SG 349 ATOM 349 O ARG 45 18.255 30.567 15.228 1.00329.06 1SG 350 ATOM 350 N LEU 46 17.103 28.681 14.683 1.00299.42 1SG 351 ATOM 351 CA LEU 46 16.737 29.031 13.328 1.00299.42 1SG 352 ATOM 352 CB LEU 46 17.798 28.595 12.290 1.00299.42 1SG 353 ATOM 353 CG LEU 46 17.578 29.149 10.869 1.00299.42 1SG 354 ATOM 354 CD2 LEU 46 18.550 28.519 9.856 1.00299.42 1SG 355 ATOM 355 CD1 LEU 46 17.640 30.685 10.862 1.00299.42 1SG 356 ATOM 356 C LEU 46 15.457 28.271 13.069 1.00299.42 1SG 357 ATOM 357 O LEU 46 15.364 27.104 13.441 1.00299.42 1SG 358 ATOM 358 N ILE 47 14.426 28.891 12.441 1.00121.81 1SG 359 ATOM 359 CA ILE 47 13.183 28.170 12.280 1.00121.81 1SG 360 ATOM 360 CB ILE 47 12.100 28.597 13.231 1.00121.81 1SG 361 ATOM 361 CG2 ILE 47 11.686 30.030 12.852 1.00121.81 1SG 362 ATOM 362 CG1 ILE 47 10.927 27.594 13.207 1.00121.81 1SG 363 ATOM 363 CD1 ILE 47 9.849 27.866 14.255 1.00121.81 1SG 364 ATOM 364 C ILE 47 12.590 28.383 10.918 1.00121.81 1SG 365 ATOM 365 O ILE 47 12.913 29.344 10.221 1.00121.81 1SG 366 ATOM 366 N GLY 48 11.704 27.447 10.502 1.00105.98 1SG 367 ATOM 367 CA GLY 48 10.960 27.569 9.279 1.00105.98 1SG 368 ATOM 368 C GLY 48 10.014 26.404 9.188 1.00105.98 1SG 369 ATOM 369 O GLY 48 10.407 25.262 9.413 1.00105.98 1SG 370 ATOM 370 N GLN 49 8.737 26.670 8.834 1.00246.59 1SG 371 ATOM 371 CA GLN 49 7.780 25.616 8.629 1.00246.59 1SG 372 ATOM 372 CB GLN 49 6.315 26.088 8.663 1.00246.59 1SG 373 ATOM 373 CG GLN 49 5.304 24.960 8.448 1.00246.59 1SG 374 ATOM 374 CD GLN 49 3.916 25.492 8.777 1.00246.59 1SG 375 ATOM 375 OE1 GLN 49 2.896 24.922 8.388 1.00246.59 1SG 376 ATOM 376 NE2 GLN 49 3.873 26.621 9.532 1.00246.59 1SG 377 ATOM 377 C GLN 49 8.117 25.126 7.270 1.00246.59 1SG 378 ATOM 378 O GLN 49 9.084 25.623 6.702 1.00246.59 1SG 379 ATOM 379 N ALA 50 7.407 24.129 6.700 1.00228.80 1SG 380 ATOM 380 CA ALA 50 7.941 23.756 5.425 1.00228.80 1SG 381 ATOM 381 CB ALA 50 8.632 22.381 5.430 1.00228.80 1SG 382 ATOM 382 C ALA 50 6.941 23.740 4.310 1.00228.80 1SG 383 ATOM 383 O ALA 50 5.975 22.982 4.306 1.00228.80 1SG 384 ATOM 384 N ASP 51 7.209 24.618 3.324 1.00214.12 1SG 385 ATOM 385 CA ASP 51 6.638 24.691 2.009 1.00214.12 1SG 386 ATOM 386 CB ASP 51 5.731 25.910 1.761 1.00214.12 1SG 387 ATOM 387 CG ASP 51 5.083 25.746 0.385 1.00214.12 1SG 388 ATOM 388 OD1 ASP 51 5.750 25.162 -0.510 1.00214.12 1SG 389 ATOM 389 OD2 ASP 51 3.919 26.198 0.207 1.00214.12 1SG 390 ATOM 390 C ASP 51 7.918 24.919 1.289 1.00214.12 1SG 391 ATOM 391 O ASP 51 8.133 24.560 0.132 1.00214.12 1SG 392 ATOM 392 N LEU 52 8.794 25.556 2.090 1.00252.48 1SG 393 ATOM 393 CA LEU 52 10.195 25.832 2.007 1.00252.48 1SG 394 ATOM 394 CB LEU 52 10.511 27.303 1.673 1.00252.48 1SG 395 ATOM 395 CG LEU 52 9.988 27.703 0.277 1.00252.48 1SG 396 ATOM 396 CD2 LEU 52 10.350 26.641 -0.775 1.00252.48 1SG 397 ATOM 397 CD1 LEU 52 10.432 29.122 -0.115 1.00252.48 1SG 398 ATOM 398 C LEU 52 10.520 25.522 3.437 1.00252.48 1SG 399 ATOM 399 O LEU 52 9.595 25.585 4.237 1.00252.48 1SG 400 ATOM 400 N VAL 53 11.761 25.190 3.858 1.00125.78 1SG 401 ATOM 401 CA VAL 53 11.751 24.678 5.212 1.00125.78 1SG 402 ATOM 402 CB VAL 53 12.052 23.207 5.258 1.00125.78 1SG 403 ATOM 403 CG1 VAL 53 13.563 22.985 5.080 1.00125.78 1SG 404 ATOM 404 CG2 VAL 53 11.464 22.627 6.545 1.00125.78 1SG 405 ATOM 405 C VAL 53 12.665 25.407 6.176 1.00125.78 1SG 406 ATOM 406 O VAL 53 13.506 26.210 5.777 1.00125.78 1SG 407 ATOM 407 N GLY 54 12.476 25.140 7.504 1.00 66.22 1SG 408 ATOM 408 CA GLY 54 13.188 25.749 8.609 1.00 66.22 1SG 409 ATOM 409 C GLY 54 14.014 24.697 9.257 1.00 66.22 1SG 410 ATOM 410 O GLY 54 13.909 23.516 8.928 1.00 66.22 1SG 411 ATOM 411 N VAL 55 14.870 25.100 10.220 1.00150.76 1SG 412 ATOM 412 CA VAL 55 15.719 24.082 10.742 1.00150.76 1SG 413 ATOM 413 CB VAL 55 17.155 24.469 10.899 1.00150.76 1SG 414 ATOM 414 CG1 VAL 55 17.344 25.618 11.910 1.00150.76 1SG 415 ATOM 415 CG2 VAL 55 17.861 23.160 11.260 1.00150.76 1SG 416 ATOM 416 C VAL 55 15.207 23.521 12.012 1.00150.76 1SG 417 ATOM 417 O VAL 55 15.586 23.915 13.116 1.00150.76 1SG 418 ATOM 418 N GLU 56 14.300 22.550 11.850 1.00131.95 1SG 419 ATOM 419 CA GLU 56 13.893 21.767 12.953 1.00131.95 1SG 420 ATOM 420 CB GLU 56 12.666 20.902 12.626 1.00131.95 1SG 421 ATOM 421 CG GLU 56 11.356 21.694 12.607 1.00131.95 1SG 422 ATOM 422 CD GLU 56 11.408 22.789 11.544 1.00131.95 1SG 423 ATOM 423 OE1 GLU 56 12.038 23.852 11.799 1.00131.95 1SG 424 ATOM 424 OE2 GLU 56 10.799 22.591 10.463 1.00131.95 1SG 425 ATOM 425 C GLU 56 15.088 20.912 13.194 1.00131.95 1SG 426 ATOM 426 O GLU 56 15.399 20.546 14.325 1.00131.95 1SG 427 ATOM 427 N GLY 57 15.807 20.620 12.084 1.00 43.64 1SG 428 ATOM 428 CA GLY 57 16.974 19.783 12.070 1.00 43.64 1SG 429 ATOM 429 C GLY 57 17.863 20.187 13.191 1.00 43.64 1SG 430 ATOM 430 O GLY 57 18.314 21.322 13.336 1.00 43.64 1SG 431 ATOM 431 N PRO 58 18.057 19.188 13.990 1.00185.57 1SG 432 ATOM 432 CA PRO 58 18.841 19.294 15.188 1.00185.57 1SG 433 ATOM 433 CD PRO 58 16.979 18.223 14.136 1.00185.57 1SG 434 ATOM 434 CB PRO 58 18.392 18.141 16.086 1.00185.57 1SG 435 ATOM 435 CG PRO 58 16.963 17.835 15.618 1.00185.57 1SG 436 ATOM 436 C PRO 58 20.321 19.349 15.018 1.00185.57 1SG 437 ATOM 437 O PRO 58 20.998 19.542 16.026 1.00185.57 1SG 438 ATOM 438 N PHE 59 20.847 19.184 13.789 1.00261.99 1SG 439 ATOM 439 CA PHE 59 22.266 19.062 13.604 1.00261.99 1SG 440 ATOM 440 CB PHE 59 22.682 19.037 12.125 1.00261.99 1SG 441 ATOM 441 CG PHE 59 22.006 17.863 11.505 1.00261.99 1SG 442 ATOM 442 CD1 PHE 59 20.751 18.004 10.964 1.00261.99 1SG 443 ATOM 443 CD2 PHE 59 22.613 16.631 11.478 1.00261.99 1SG 444 ATOM 444 CE1 PHE 59 20.122 16.923 10.391 1.00261.99 1SG 445 ATOM 445 CE2 PHE 59 21.991 15.542 10.912 1.00261.99 1SG 446 ATOM 446 CZ PHE 59 20.739 15.692 10.371 1.00261.99 1SG 447 ATOM 447 C PHE 59 22.970 20.197 14.277 1.00261.99 1SG 448 ATOM 448 O PHE 59 22.641 21.371 14.100 1.00261.99 1SG 449 ATOM 449 N SER 60 23.953 19.832 15.117 1.00185.62 1SG 450 ATOM 450 CA SER 60 24.741 20.763 15.864 1.00185.62 1SG 451 ATOM 451 CB SER 60 24.092 21.260 17.167 1.00185.62 1SG 452 ATOM 452 OG SER 60 22.949 22.050 16.869 1.00185.62 1SG 453 ATOM 453 C SER 60 25.987 20.023 16.217 1.00185.62 1SG 454 ATOM 454 O SER 60 26.378 19.100 15.503 1.00185.62 1SG 455 ATOM 455 N VAL 61 26.658 20.399 17.324 1.00189.51 1SG 456 ATOM 456 CA VAL 61 27.892 19.720 17.579 1.00189.51 1SG 457 ATOM 457 CB VAL 61 29.080 20.511 17.068 1.00189.51 1SG 458 ATOM 458 CG1 VAL 61 30.393 19.696 17.125 1.00189.51 1SG 459 ATOM 459 CG2 VAL 61 28.731 20.956 15.636 1.00189.51 1SG 460 ATOM 460 C VAL 61 27.972 19.419 19.058 1.00189.51 1SG 461 ATOM 461 O VAL 61 26.965 19.121 19.696 1.00189.51 1SG 462 ATOM 462 N GLU 62 29.190 19.480 19.628 1.00104.95 1SG 463 ATOM 463 CA GLU 62 29.579 19.083 20.950 1.00104.95 1SG 464 ATOM 464 CB GLU 62 31.075 19.351 21.187 1.00104.95 1SG 465 ATOM 465 CG GLU 62 31.583 18.966 22.577 1.00104.95 1SG 466 ATOM 466 CD GLU 62 33.000 19.513 22.708 1.00104.95 1SG 467 ATOM 467 OE1 GLU 62 33.509 20.078 21.703 1.00104.95 1SG 468 ATOM 468 OE2 GLU 62 33.588 19.376 23.814 1.00104.95 1SG 469 ATOM 469 C GLU 62 28.853 19.808 22.039 1.00104.95 1SG 470 ATOM 470 O GLU 62 28.480 19.189 23.035 1.00104.95 1SG 471 ATOM 471 N GLU 63 28.606 21.120 21.895 1.00 94.45 1SG 472 ATOM 472 CA GLU 63 28.114 21.822 23.043 1.00 94.45 1SG 473 ATOM 473 CB GLU 63 27.982 23.344 22.873 1.00 94.45 1SG 474 ATOM 474 CG GLU 63 27.591 24.006 24.197 1.00 94.45 1SG 475 ATOM 475 CD GLU 63 27.991 25.473 24.169 1.00 94.45 1SG 476 ATOM 476 OE1 GLU 63 28.282 25.990 23.054 1.00 94.45 1SG 477 ATOM 477 OE2 GLU 63 28.022 26.091 25.263 1.00 94.45 1SG 478 ATOM 478 C GLU 63 26.802 21.307 23.538 1.00 94.45 1SG 479 ATOM 479 O GLU 63 26.626 21.182 24.750 1.00 94.45 1SG 480 ATOM 480 N LEU 64 25.840 20.981 22.655 1.00 47.51 1SG 481 ATOM 481 CA LEU 64 24.589 20.560 23.220 1.00 47.51 1SG 482 ATOM 482 CB LEU 64 23.471 20.258 22.210 1.00 47.51 1SG 483 ATOM 483 CG LEU 64 22.175 19.867 22.954 1.00 47.51 1SG 484 ATOM 484 CD2 LEU 64 21.154 19.177 22.044 1.00 47.51 1SG 485 ATOM 485 CD1 LEU 64 21.595 21.065 23.728 1.00 47.51 1SG 486 ATOM 486 C LEU 64 24.790 19.294 23.988 1.00 47.51 1SG 487 ATOM 487 O LEU 64 24.297 19.152 25.107 1.00 47.51 1SG 488 ATOM 488 N LEU 65 25.536 18.339 23.406 1.00 72.24 1SG 489 ATOM 489 CA LEU 65 25.727 17.063 24.030 1.00 72.24 1SG 490 ATOM 490 CB LEU 65 26.502 16.079 23.139 1.00 72.24 1SG 491 ATOM 491 CG LEU 65 25.747 15.696 21.851 1.00 72.24 1SG 492 ATOM 492 CD2 LEU 65 26.447 14.538 21.119 1.00 72.24 1SG 493 ATOM 493 CD1 LEU 65 25.519 16.921 20.949 1.00 72.24 1SG 494 ATOM 494 C LEU 65 26.494 17.223 25.302 1.00 72.24 1SG 495 ATOM 495 O LEU 65 26.142 16.633 26.322 1.00 72.24 1SG 496 ATOM 496 N ALA 66 27.560 18.042 25.278 1.00 22.44 1SG 497 ATOM 497 CA ALA 66 28.391 18.186 26.436 1.00 22.44 1SG 498 ATOM 498 CB ALA 66 29.574 19.140 26.205 1.00 22.44 1SG 499 ATOM 499 C ALA 66 27.575 18.752 27.546 1.00 22.44 1SG 500 ATOM 500 O ALA 66 27.669 18.313 28.691 1.00 22.44 1SG 501 ATOM 501 N HIS 67 26.731 19.743 27.222 1.00123.31 1SG 502 ATOM 502 CA HIS 67 25.938 20.376 28.228 1.00123.31 1SG 503 ATOM 503 ND1 HIS 67 25.231 23.518 29.359 1.00123.31 1SG 504 ATOM 504 CG HIS 67 24.629 22.377 28.882 1.00123.31 1SG 505 ATOM 505 CB HIS 67 25.133 21.581 27.723 1.00123.31 1SG 506 ATOM 506 NE2 HIS 67 23.501 23.105 30.688 1.00123.31 1SG 507 ATOM 507 CD2 HIS 67 23.571 22.139 29.706 1.00123.31 1SG 508 ATOM 508 CE1 HIS 67 24.514 23.913 30.441 1.00123.31 1SG 509 ATOM 509 C HIS 67 24.967 19.375 28.763 1.00123.31 1SG 510 ATOM 510 O HIS 67 24.607 19.400 29.938 1.00123.31 1SG 511 ATOM 511 N GLN 68 24.536 18.444 27.898 1.00 90.33 1SG 512 ATOM 512 CA GLN 68 23.483 17.544 28.255 1.00 90.33 1SG 513 ATOM 513 CB GLN 68 23.107 16.603 27.103 1.00 90.33 1SG 514 ATOM 514 CG GLN 68 21.841 15.792 27.373 1.00 90.33 1SG 515 ATOM 515 CD GLN 68 21.551 14.978 26.122 1.00 90.33 1SG 516 ATOM 516 OE1 GLN 68 20.471 14.409 25.975 1.00 90.33 1SG 517 ATOM 517 NE2 GLN 68 22.539 14.927 25.189 1.00 90.33 1SG 518 ATOM 518 C GLN 68 23.902 16.712 29.424 1.00 90.33 1SG 519 ATOM 519 O GLN 68 23.101 16.460 30.321 1.00 90.33 1SG 520 ATOM 520 N GLU 69 25.170 16.256 29.461 1.00 35.17 1SG 521 ATOM 521 CA GLU 69 25.553 15.426 30.566 1.00 35.17 1SG 522 ATOM 522 CB GLU 69 26.994 14.892 30.465 1.00 35.17 1SG 523 ATOM 523 CG GLU 69 27.374 13.982 31.637 1.00 35.17 1SG 524 ATOM 524 CD GLU 69 28.811 13.516 31.434 1.00 35.17 1SG 525 ATOM 525 OE1 GLU 69 29.707 14.389 31.321 1.00 35.17 1SG 526 ATOM 526 OE2 GLU 69 29.022 12.270 31.382 1.00 35.17 1SG 527 ATOM 527 C GLU 69 25.462 16.214 31.837 1.00 35.17 1SG 528 ATOM 528 O GLU 69 24.866 15.756 32.812 1.00 35.17 1SG 529 ATOM 529 N LYS 70 26.031 17.438 31.852 1.00 52.94 1SG 530 ATOM 530 CA LYS 70 26.026 18.201 33.067 1.00 52.94 1SG 531 ATOM 531 CB LYS 70 26.813 19.519 32.976 1.00 52.94 1SG 532 ATOM 532 CG LYS 70 28.330 19.320 32.939 1.00 52.94 1SG 533 ATOM 533 CD LYS 70 29.107 20.599 32.616 1.00 52.94 1SG 534 ATOM 534 CE LYS 70 30.627 20.425 32.657 1.00 52.94 1SG 535 ATOM 535 NZ LYS 70 31.292 21.710 32.348 1.00 52.94 1SG 536 ATOM 536 C LYS 70 24.619 18.529 33.429 1.00 52.94 1SG 537 ATOM 537 O LYS 70 24.206 18.354 34.576 1.00 52.94 1SG 538 ATOM 538 N HIS 71 23.826 18.987 32.446 1.00245.55 1SG 539 ATOM 539 CA HIS 71 22.467 19.295 32.769 1.00245.55 1SG 540 ATOM 540 ND1 HIS 71 19.826 20.937 33.053 1.00245.55 1SG 541 ATOM 541 CG HIS 71 20.240 20.090 32.053 1.00245.55 1SG 542 ATOM 542 CB HIS 71 21.665 19.942 31.626 1.00245.55 1SG 543 ATOM 543 NE2 HIS 71 18.045 19.756 32.438 1.00245.55 1SG 544 ATOM 544 CD2 HIS 71 19.141 19.380 31.682 1.00245.55 1SG 545 ATOM 545 CE1 HIS 71 18.508 20.692 33.248 1.00245.55 1SG 546 ATOM 546 C HIS 71 21.822 18.001 33.085 1.00245.55 1SG 547 ATOM 547 O HIS 71 22.306 16.950 32.676 1.00245.55 1SG 548 ATOM 548 N LEU 72 20.738 17.989 33.885 1.00345.21 1SG 549 ATOM 549 CA LEU 72 20.306 16.652 34.007 1.00345.21 1SG 550 ATOM 550 CB LEU 72 20.765 15.928 35.259 1.00345.21 1SG 551 ATOM 551 CG LEU 72 20.331 14.514 34.935 1.00345.21 1SG 552 ATOM 552 CD2 LEU 72 20.362 13.501 36.066 1.00345.21 1SG 553 ATOM 553 CD1 LEU 72 21.097 14.161 33.665 1.00345.21 1SG 554 ATOM 554 C LEU 72 18.829 16.456 34.045 1.00345.21 1SG 555 ATOM 555 O LEU 72 18.105 17.135 34.770 1.00345.21 1SG 556 ATOM 556 N ALA 73 18.354 15.503 33.215 1.00226.45 1SG 557 ATOM 557 CA ALA 73 17.068 14.945 33.457 1.00226.45 1SG 558 ATOM 558 CB ALA 73 16.078 15.051 32.291 1.00226.45 1SG 559 ATOM 559 C ALA 73 17.399 13.500 33.707 1.00226.45 1SG 560 ATOM 560 O ALA 73 17.631 12.741 32.769 1.00226.45 1SG 561 ATOM 561 N GLU 74 17.364 13.105 34.996 1.00250.67 1SG 562 ATOM 562 CA GLU 74 17.800 11.871 35.601 1.00250.67 1SG 563 ATOM 563 CB GLU 74 16.719 10.783 35.846 1.00250.67 1SG 564 ATOM 564 CG GLU 74 16.051 10.844 37.230 1.00250.67 1SG 565 ATOM 565 CD GLU 74 14.905 9.823 37.288 1.00250.67 1SG 566 ATOM 566 OE1 GLU 74 14.964 8.845 36.505 1.00250.67 1SG 567 ATOM 567 OE2 GLU 74 13.932 9.995 38.063 1.00250.67 1SG 568 ATOM 568 C GLU 74 18.964 11.188 34.955 1.00250.67 1SG 569 ATOM 569 O GLU 74 19.229 10.040 35.308 1.00250.67 1SG 570 ATOM 570 N GLU 75 19.712 11.749 33.977 1.00205.69 1SG 571 ATOM 571 CA GLU 75 20.856 10.906 33.851 1.00205.69 1SG 572 ATOM 572 CB GLU 75 21.562 10.863 32.471 1.00205.69 1SG 573 ATOM 573 CG GLU 75 22.276 12.104 31.950 1.00205.69 1SG 574 ATOM 574 CD GLU 75 22.666 11.813 30.503 1.00205.69 1SG 575 ATOM 575 OE1 GLU 75 22.682 10.612 30.126 1.00205.69 1SG 576 ATOM 576 OE2 GLU 75 22.944 12.788 29.755 1.00205.69 1SG 577 ATOM 577 C GLU 75 21.810 11.153 35.008 1.00205.69 1SG 578 ATOM 578 O GLU 75 21.806 10.383 35.963 1.00205.69 1SG 579 ATOM 579 N ALA 76 22.641 12.231 35.003 1.00 90.04 1SG 580 ATOM 580 CA ALA 76 23.530 12.452 36.126 1.00 90.04 1SG 581 ATOM 581 CB ALA 76 24.768 13.269 35.720 1.00 90.04 1SG 582 ATOM 582 C ALA 76 22.972 13.128 37.368 1.00 90.04 1SG 583 ATOM 583 O ALA 76 22.780 12.497 38.406 1.00 90.04 1SG 584 ATOM 584 N PHE 77 22.670 14.452 37.255 1.00 86.23 1SG 585 ATOM 585 CA PHE 77 22.248 15.313 38.339 1.00 86.23 1SG 586 ATOM 586 CB PHE 77 22.389 16.800 37.972 1.00 86.23 1SG 587 ATOM 587 CG PHE 77 21.721 17.600 39.040 1.00 86.23 1SG 588 ATOM 588 CD1 PHE 77 22.340 17.846 40.245 1.00 86.23 1SG 589 ATOM 589 CD2 PHE 77 20.463 18.116 38.826 1.00 86.23 1SG 590 ATOM 590 CE1 PHE 77 21.710 18.586 41.218 1.00 86.23 1SG 591 ATOM 591 CE2 PHE 77 19.831 18.856 39.796 1.00 86.23 1SG 592 ATOM 592 CZ PHE 77 20.452 19.093 40.997 1.00 86.23 1SG 593 ATOM 593 C PHE 77 20.853 15.155 38.890 1.00 86.23 1SG 594 ATOM 594 O PHE 77 20.688 14.804 40.059 1.00 86.23 1SG 595 ATOM 595 N LEU 78 19.805 15.391 38.066 1.00175.46 1SG 596 ATOM 596 CA LEU 78 18.468 15.416 38.597 1.00175.46 1SG 597 ATOM 597 CB LEU 78 17.406 16.184 37.791 1.00175.46 1SG 598 ATOM 598 CG LEU 78 16.193 16.505 38.692 1.00175.46 1SG 599 ATOM 599 CD2 LEU 78 15.153 17.369 37.953 1.00175.46 1SG 600 ATOM 600 CD1 LEU 78 16.629 17.185 39.998 1.00175.46 1SG 601 ATOM 601 C LEU 78 18.056 14.026 38.939 1.00175.46 1SG 602 ATOM 602 O LEU 78 17.127 13.793 39.708 1.00175.46 1SG 603 ATOM 603 N ARG 79 18.753 13.064 38.324 1.00 93.50 1SG 604 ATOM 604 CA ARG 79 18.558 11.679 38.571 1.00 93.50 1SG 605 ATOM 605 CB ARG 79 19.617 10.814 37.891 1.00 93.50 1SG 606 ATOM 606 CG ARG 79 19.748 9.404 38.468 1.00 93.50 1SG 607 ATOM 607 CD ARG 79 20.816 8.570 37.763 1.00 93.50 1SG 608 ATOM 608 NE ARG 79 21.193 7.443 38.656 1.00 93.50 1SG 609 ATOM 609 CZ ARG 79 22.216 6.620 38.282 1.00 93.50 1SG 610 ATOM 610 NH1 ARG 79 22.794 6.775 37.056 1.00 93.50 1SG 611 ATOM 611 NH2 ARG 79 22.655 5.636 39.121 1.00 93.50 1SG 612 ATOM 612 C ARG 79 18.785 11.475 40.030 1.00 93.50 1SG 613 ATOM 613 O ARG 79 18.175 10.601 40.633 1.00 93.50 1SG 614 ATOM 614 N ALA 80 19.730 12.220 40.632 1.00 35.83 1SG 615 ATOM 615 CA ALA 80 19.950 12.043 42.037 1.00 35.83 1SG 616 ATOM 616 CB ALA 80 21.116 12.890 42.570 1.00 35.83 1SG 617 ATOM 617 C ALA 80 18.733 12.462 42.813 1.00 35.83 1SG 618 ATOM 618 O ALA 80 18.258 11.730 43.679 1.00 35.83 1SG 619 ATOM 619 N TYR 81 18.176 13.648 42.498 1.00 47.92 1SG 620 ATOM 620 CA TYR 81 17.059 14.200 43.219 1.00 47.92 1SG 621 ATOM 621 CB TYR 81 16.671 15.577 42.643 1.00 47.92 1SG 622 ATOM 622 CG TYR 81 15.562 16.197 43.423 1.00 47.92 1SG 623 ATOM 623 CD1 TYR 81 15.828 16.832 44.613 1.00 47.92 1SG 624 ATOM 624 CD2 TYR 81 14.265 16.176 42.958 1.00 47.92 1SG 625 ATOM 625 CE1 TYR 81 14.819 17.417 45.342 1.00 47.92 1SG 626 ATOM 626 CE2 TYR 81 13.250 16.759 43.683 1.00 47.92 1SG 627 ATOM 627 CZ TYR 81 13.527 17.384 44.874 1.00 47.92 1SG 628 ATOM 628 OH TYR 81 12.489 17.986 45.619 1.00 47.92 1SG 629 ATOM 629 C TYR 81 15.899 13.279 43.028 1.00 47.92 1SG 630 ATOM 630 O TYR 81 15.195 12.907 43.966 1.00 47.92 1SG 631 ATOM 631 N ALA 82 15.722 12.886 41.763 1.00 51.17 1SG 632 ATOM 632 CA ALA 82 14.693 12.054 41.220 1.00 51.17 1SG 633 ATOM 633 CB ALA 82 14.899 11.902 39.730 1.00 51.17 1SG 634 ATOM 634 C ALA 82 14.777 10.674 41.777 1.00 51.17 1SG 635 ATOM 635 O ALA 82 13.764 10.036 42.058 1.00 51.17 1SG 636 ATOM 636 N LYS 83 16.011 10.200 41.988 1.00 70.73 1SG 637 ATOM 637 CA LYS 83 16.298 8.848 42.355 1.00 70.73 1SG 638 ATOM 638 CB LYS 83 15.447 8.377 43.543 1.00 70.73 1SG 639 ATOM 639 CG LYS 83 15.765 9.183 44.804 1.00 70.73 1SG 640 ATOM 640 CD LYS 83 14.724 9.065 45.917 1.00 70.73 1SG 641 ATOM 641 CE LYS 83 15.063 9.921 47.140 1.00 70.73 1SG 642 ATOM 642 NZ LYS 83 13.985 9.825 48.150 1.00 70.73 1SG 643 ATOM 643 C LYS 83 16.120 7.902 41.196 1.00 70.73 1SG 644 ATOM 644 O LYS 83 15.629 6.789 41.373 1.00 70.73 1SG 645 ATOM 645 N ASP 84 16.509 8.321 39.967 1.00119.40 1SG 646 ATOM 646 CA ASP 84 16.549 7.382 38.869 1.00119.40 1SG 647 ATOM 647 CB ASP 84 17.250 7.930 37.616 1.00119.40 1SG 648 ATOM 648 CG ASP 84 17.109 6.927 36.471 1.00119.40 1SG 649 ATOM 649 OD1 ASP 84 17.170 5.696 36.731 1.00119.40 1SG 650 ATOM 650 OD2 ASP 84 16.951 7.387 35.309 1.00119.40 1SG 651 ATOM 651 C ASP 84 17.523 6.368 39.359 1.00119.40 1SG 652 ATOM 652 O ASP 84 18.612 6.764 39.777 1.00119.40 1SG 653 ATOM 653 N GLU 85 17.170 5.063 39.428 1.00165.96 1SG 654 ATOM 654 CA GLU 85 18.216 4.212 39.922 1.00165.96 1SG 655 ATOM 655 CB GLU 85 17.597 2.851 40.321 1.00165.96 1SG 656 ATOM 656 CG GLU 85 18.315 2.111 41.454 1.00165.96 1SG 657 ATOM 657 CD GLU 85 17.919 0.644 41.369 1.00165.96 1SG 658 ATOM 658 OE1 GLU 85 16.701 0.345 41.487 1.00165.96 1SG 659 ATOM 659 OE2 GLU 85 18.835 -0.199 41.172 1.00165.96 1SG 660 ATOM 660 C GLU 85 19.307 4.075 38.855 1.00165.96 1SG 661 ATOM 661 O GLU 85 19.981 5.054 38.545 1.00165.96 1SG 662 ATOM 662 N PRO 86 19.532 2.928 38.234 1.00152.19 1SG 663 ATOM 663 CA PRO 86 20.302 2.983 37.015 1.00152.19 1SG 664 ATOM 664 CD PRO 86 20.170 1.928 39.093 1.00152.19 1SG 665 ATOM 665 CB PRO 86 21.670 2.380 37.290 1.00152.19 1SG 666 ATOM 666 CG PRO 86 21.346 1.313 38.327 1.00152.19 1SG 667 ATOM 667 C PRO 86 19.525 2.124 36.065 1.00152.19 1SG 668 ATOM 668 O PRO 86 18.477 1.615 36.457 1.00152.19 1SG 669 ATOM 669 N LEU 87 20.017 1.936 34.825 1.00367.30 1SG 670 ATOM 670 CA LEU 87 19.422 0.941 33.981 1.00367.30 1SG 671 ATOM 671 CB LEU 87 17.965 1.226 33.560 1.00367.30 1SG 672 ATOM 672 CG LEU 87 17.382 0.113 32.664 1.00367.30 1SG 673 ATOM 673 CD2 LEU 87 16.026 0.529 32.071 1.00367.30 1SG 674 ATOM 674 CD1 LEU 87 17.318 -1.236 33.398 1.00367.30 1SG 675 ATOM 675 C LEU 87 20.228 0.870 32.732 1.00367.30 1SG 676 ATOM 676 O LEU 87 20.806 1.873 32.311 1.00367.30 1SG 677 ATOM 677 N TYR 88 20.340 -0.321 32.105 1.00320.93 1SG 678 ATOM 678 CA TYR 88 21.001 -0.257 30.838 1.00320.93 1SG 679 ATOM 679 CB TYR 88 21.304 -1.613 30.177 1.00320.93 1SG 680 ATOM 680 CG TYR 88 22.165 -1.339 28.986 1.00320.93 1SG 681 ATOM 681 CD1 TYR 88 23.530 -1.237 29.132 1.00320.93 1SG 682 ATOM 682 CD2 TYR 88 21.622 -1.174 27.731 1.00320.93 1SG 683 ATOM 683 CE1 TYR 88 24.342 -0.987 28.051 1.00320.93 1SG 684 ATOM 684 CE2 TYR 88 22.429 -0.923 26.644 1.00320.93 1SG 685 ATOM 685 CZ TYR 88 23.791 -0.825 26.804 1.00320.93 1SG 686 ATOM 686 OH TYR 88 24.624 -0.566 25.693 1.00320.93 1SG 687 ATOM 687 C TYR 88 19.951 0.413 30.036 1.00320.93 1SG 688 ATOM 688 O TYR 88 18.834 -0.093 29.924 1.00320.93 1SG 689 ATOM 689 N ALA 89 20.286 1.575 29.457 1.00313.72 1SG 690 ATOM 690 CA ALA 89 19.270 2.402 28.884 1.00313.72 1SG 691 ATOM 691 CB ALA 89 18.337 1.680 27.893 1.00313.72 1SG 692 ATOM 692 C ALA 89 18.464 2.873 30.058 1.00313.72 1SG 693 ATOM 693 O ALA 89 17.952 2.093 30.856 1.00313.72 1SG 694 ATOM 694 N TRP 90 18.320 4.197 30.187 1.00199.90 1SG 695 ATOM 695 CA TRP 90 17.671 4.765 31.322 1.00199.90 1SG 696 ATOM 696 CB TRP 90 18.649 4.960 32.503 1.00199.90 1SG 697 ATOM 697 CG TRP 90 19.939 5.701 32.204 1.00199.90 1SG 698 ATOM 698 CD2 TRP 90 20.988 5.202 31.354 1.00199.90 1SG 699 ATOM 699 CD1 TRP 90 20.342 6.931 32.632 1.00199.90 1SG 700 ATOM 700 NE1 TRP 90 21.578 7.228 32.109 1.00199.90 1SG 701 ATOM 701 CE2 TRP 90 21.989 6.173 31.320 1.00199.90 1SG 702 ATOM 702 CE3 TRP 90 21.108 4.033 30.657 1.00199.90 1SG 703 ATOM 703 CZ2 TRP 90 23.127 5.991 30.586 1.00199.90 1SG 704 ATOM 704 CZ3 TRP 90 22.260 3.849 29.926 1.00199.90 1SG 705 ATOM 705 CH2 TRP 90 23.248 4.809 29.892 1.00199.90 1SG 706 ATOM 706 C TRP 90 17.118 6.051 30.839 1.00199.90 1SG 707 ATOM 707 O TRP 90 16.144 6.061 30.089 1.00199.90 1SG 708 ATOM 708 N VAL 91 17.732 7.165 31.270 1.00 61.04 1SG 709 ATOM 709 CA VAL 91 17.358 8.479 30.858 1.00 61.04 1SG 710 ATOM 710 CB VAL 91 18.428 9.460 31.200 1.00 61.04 1SG 711 ATOM 711 CG1 VAL 91 18.057 10.862 30.710 1.00 61.04 1SG 712 ATOM 712 CG2 VAL 91 18.641 9.337 32.706 1.00 61.04 1SG 713 ATOM 713 C VAL 91 17.257 8.436 29.372 1.00 61.04 1SG 714 ATOM 714 O VAL 91 18.170 7.979 28.686 1.00 61.04 1SG 715 ATOM 715 N LEU 92 16.110 8.899 28.843 1.00 86.74 1SG 716 ATOM 716 CA LEU 92 15.882 8.804 27.437 1.00 86.74 1SG 717 ATOM 717 CB LEU 92 14.438 8.428 27.077 1.00 86.74 1SG 718 ATOM 718 CG LEU 92 14.197 8.325 25.560 1.00 86.74 1SG 719 ATOM 719 CD2 LEU 92 12.699 8.194 25.244 1.00 86.74 1SG 720 ATOM 720 CD1 LEU 92 15.050 7.214 24.927 1.00 86.74 1SG 721 ATOM 721 C LEU 92 16.156 10.126 26.818 1.00 86.74 1SG 722 ATOM 722 O LEU 92 15.919 11.172 27.419 1.00 86.74 1SG 723 ATOM 723 N GLU 93 16.707 10.092 25.589 1.00 48.09 1SG 724 ATOM 724 CA GLU 93 16.975 11.300 24.867 1.00 48.09 1SG 725 ATOM 725 CB GLU 93 18.478 11.555 24.685 1.00 48.09 1SG 726 ATOM 726 CG GLU 93 19.216 11.782 26.006 1.00 48.09 1SG 727 ATOM 727 CD GLU 93 20.707 11.687 25.726 1.00 48.09 1SG 728 ATOM 728 OE1 GLU 93 21.071 11.449 24.543 1.00 48.09 1SG 729 ATOM 729 OE2 GLU 93 21.500 11.847 26.692 1.00 48.09 1SG 730 ATOM 730 C GLU 93 16.391 11.112 23.503 1.00 48.09 1SG 731 ATOM 731 O GLU 93 16.644 10.089 22.868 1.00 48.09 1SG 732 ATOM 732 N ASN 94 15.577 12.068 22.997 1.00107.94 1SG 733 ATOM 733 CA ASN 94 15.085 11.760 21.684 1.00107.94 1SG 734 ATOM 734 CB ASN 94 14.203 10.500 21.699 1.00107.94 1SG 735 ATOM 735 CG ASN 94 14.080 9.960 20.286 1.00107.94 1SG 736 ATOM 736 OD1 ASN 94 13.064 10.165 19.629 1.00107.94 1SG 737 ATOM 737 ND2 ASN 94 15.141 9.261 19.799 1.00107.94 1SG 738 ATOM 738 C ASN 94 14.277 12.883 21.085 1.00107.94 1SG 739 ATOM 739 O ASN 94 13.889 13.832 21.768 1.00107.94 1SG 740 ATOM 740 N ALA 95 14.070 12.784 19.746 1.00102.72 1SG 741 ATOM 741 CA ALA 95 13.207 13.565 18.888 1.00102.72 1SG 742 ATOM 742 CB ALA 95 12.310 14.561 19.647 1.00102.72 1SG 743 ATOM 743 C ALA 95 14.026 14.343 17.905 1.00102.72 1SG 744 ATOM 744 O ALA 95 14.492 15.441 18.199 1.00102.72 1SG 745 ATOM 745 N PHE 96 14.143 13.825 16.666 1.00 87.99 1SG 746 ATOM 746 CA PHE 96 14.919 14.487 15.657 1.00 87.99 1SG 747 ATOM 747 CB PHE 96 16.238 13.736 15.388 1.00 87.99 1SG 748 ATOM 748 CG PHE 96 16.860 14.202 14.116 1.00 87.99 1SG 749 ATOM 749 CD1 PHE 96 17.701 15.288 14.076 1.00 87.99 1SG 750 ATOM 750 CD2 PHE 96 16.612 13.514 12.950 1.00 87.99 1SG 751 ATOM 751 CE1 PHE 96 18.270 15.696 12.891 1.00 87.99 1SG 752 ATOM 752 CE2 PHE 96 17.177 13.916 11.762 1.00 87.99 1SG 753 ATOM 753 CZ PHE 96 18.007 15.007 11.730 1.00 87.99 1SG 754 ATOM 754 C PHE 96 14.144 14.485 14.382 1.00 87.99 1SG 755 ATOM 755 O PHE 96 13.991 13.434 13.763 1.00 87.99 1SG 756 ATOM 756 N ARG 97 13.633 15.670 13.978 1.00187.00 1SG 757 ATOM 757 CA ARG 97 12.982 15.887 12.711 1.00187.00 1SG 758 ATOM 758 CB ARG 97 13.405 14.939 11.566 1.00187.00 1SG 759 ATOM 759 CG ARG 97 13.066 15.461 10.166 1.00187.00 1SG 760 ATOM 760 CD ARG 97 13.543 14.548 9.033 1.00187.00 1SG 761 ATOM 761 NE ARG 97 13.145 15.180 7.743 1.00187.00 1SG 762 ATOM 762 CZ ARG 97 13.564 14.633 6.565 1.00187.00 1SG 763 ATOM 763 NH1 ARG 97 14.340 13.510 6.579 1.00187.00 1SG 764 ATOM 764 NH2 ARG 97 13.204 15.204 5.378 1.00187.00 1SG 765 ATOM 765 C ARG 97 11.492 15.889 12.853 1.00187.00 1SG 766 ATOM 766 O ARG 97 10.935 15.736 13.935 1.00187.00 1SG 767 ATOM 767 N TYR 98 10.811 16.140 11.725 1.00116.02 1SG 768 ATOM 768 CA TYR 98 9.383 16.198 11.641 1.00116.02 1SG 769 ATOM 769 CB TYR 98 8.946 16.573 10.212 1.00116.02 1SG 770 ATOM 770 CG TYR 98 9.745 17.771 9.824 1.00116.02 1SG 771 ATOM 771 CD1 TYR 98 11.024 17.614 9.333 1.00116.02 1SG 772 ATOM 772 CD2 TYR 98 9.233 19.039 9.939 1.00116.02 1SG 773 ATOM 773 CE1 TYR 98 11.787 18.695 8.979 1.00116.02 1SG 774 ATOM 774 CE2 TYR 98 9.988 20.129 9.586 1.00116.02 1SG 775 ATOM 775 CZ TYR 98 11.267 19.957 9.110 1.00116.02 1SG 776 ATOM 776 OH TYR 98 12.043 21.072 8.757 1.00116.02 1SG 777 ATOM 777 C TYR 98 8.848 14.823 11.890 1.00116.02 1SG 778 ATOM 778 O TYR 98 7.963 14.617 12.719 1.00116.02 1SG 779 ATOM 779 N GLU 99 9.419 13.833 11.178 1.00 86.51 1SG 780 ATOM 780 CA GLU 99 8.941 12.483 11.238 1.00 86.51 1SG 781 ATOM 781 CB GLU 99 9.663 11.575 10.227 1.00 86.51 1SG 782 ATOM 782 CG GLU 99 9.280 11.886 8.775 1.00 86.51 1SG 783 ATOM 783 CD GLU 99 9.765 13.289 8.424 1.00 86.51 1SG 784 ATOM 784 OE1 GLU 99 10.999 13.534 8.504 1.00 86.51 1SG 785 ATOM 785 OE2 GLU 99 8.902 14.135 8.066 1.00 86.51 1SG 786 ATOM 786 C GLU 99 9.144 11.952 12.618 1.00 86.51 1SG 787 ATOM 787 O GLU 99 8.239 11.355 13.201 1.00 86.51 1SG 788 ATOM 788 N LYS 100 10.341 12.179 13.185 1.00171.92 1SG 789 ATOM 789 CA LYS 100 10.625 11.755 14.525 1.00171.92 1SG 790 ATOM 790 CB LYS 100 12.137 11.680 14.764 1.00171.92 1SG 791 ATOM 791 CG LYS 100 12.598 11.252 16.150 1.00171.92 1SG 792 ATOM 792 CD LYS 100 14.108 11.008 16.187 1.00171.92 1SG 793 ATOM 793 CE LYS 100 14.707 11.045 17.598 1.00171.92 1SG 794 ATOM 794 NZ LYS 100 16.180 10.821 17.527 1.00171.92 1SG 795 ATOM 795 C LYS 100 10.096 12.873 15.340 1.00171.92 1SG 796 ATOM 796 O LYS 100 10.812 13.841 15.570 1.00171.92 1SG 797 ATOM 797 N PRO 101 8.910 12.681 15.856 1.00117.55 1SG 798 ATOM 798 CA PRO 101 8.098 13.749 16.384 1.00117.55 1SG 799 ATOM 799 CD PRO 101 8.614 11.414 16.502 1.00117.55 1SG 800 ATOM 800 CB PRO 101 7.056 13.090 17.286 1.00117.55 1SG 801 ATOM 801 CG PRO 101 7.727 11.771 17.706 1.00117.55 1SG 802 ATOM 802 C PRO 101 8.798 14.876 17.058 1.00117.55 1SG 803 ATOM 803 O PRO 101 9.225 14.769 18.206 1.00117.55 1SG 804 ATOM 804 N LEU 102 8.887 15.987 16.313 1.00 93.47 1SG 805 ATOM 805 CA LEU 102 9.440 17.210 16.768 1.00 93.47 1SG 806 ATOM 806 CB LEU 102 10.521 17.785 15.836 1.00 93.47 1SG 807 ATOM 807 CG LEU 102 10.990 19.180 16.277 1.00 93.47 1SG 808 ATOM 808 CD2 LEU 102 12.009 19.774 15.293 1.00 93.47 1SG 809 ATOM 809 CD1 LEU 102 11.511 19.143 17.717 1.00 93.47 1SG 810 ATOM 810 C LEU 102 8.306 18.164 16.751 1.00 93.47 1SG 811 ATOM 811 O LEU 102 7.520 18.184 15.806 1.00 93.47 1SG 812 ATOM 812 N HIS 103 8.179 18.980 17.807 1.00147.65 1SG 813 ATOM 813 CA HIS 103 7.074 19.886 17.815 1.00147.65 1SG 814 ATOM 814 ND1 HIS 103 3.969 20.402 18.804 1.00147.65 1SG 815 ATOM 815 CG HIS 103 5.197 20.916 19.159 1.00147.65 1SG 816 ATOM 816 CB HIS 103 6.462 20.108 19.206 1.00147.65 1SG 817 ATOM 817 NE2 HIS 103 3.651 22.559 19.234 1.00147.65 1SG 818 ATOM 818 CD2 HIS 103 4.984 22.235 19.420 1.00147.65 1SG 819 ATOM 819 CE1 HIS 103 3.082 21.426 18.865 1.00147.65 1SG 820 ATOM 820 C HIS 103 7.591 21.198 17.340 1.00147.65 1SG 821 ATOM 821 O HIS 103 7.518 21.508 16.153 1.00147.65 1SG 822 ATOM 822 N VAL 104 8.152 21.996 18.267 1.00110.68 1SG 823 ATOM 823 CA VAL 104 8.626 23.294 17.898 1.00110.68 1SG 824 ATOM 824 CB VAL 104 9.292 24.029 19.025 1.00110.68 1SG 825 ATOM 825 CG1 VAL 104 10.523 23.215 19.469 1.00110.68 1SG 826 ATOM 826 CG2 VAL 104 9.644 25.447 18.544 1.00110.68 1SG 827 ATOM 827 C VAL 104 9.652 23.115 16.834 1.00110.68 1SG 828 ATOM 828 O VAL 104 10.508 22.232 16.905 1.00110.68 1SG 829 ATOM 829 N PRO 105 9.550 23.906 15.804 1.00150.12 1SG 830 ATOM 830 CA PRO 105 10.554 23.825 14.792 1.00150.12 1SG 831 ATOM 831 CD PRO 105 8.263 24.328 15.277 1.00150.12 1SG 832 ATOM 832 CB PRO 105 10.007 24.621 13.606 1.00150.12 1SG 833 ATOM 833 CG PRO 105 8.479 24.501 13.762 1.00150.12 1SG 834 ATOM 834 C PRO 105 11.804 24.363 15.400 1.00150.12 1SG 835 ATOM 835 O PRO 105 11.903 25.573 15.584 1.00150.12 1SG 836 ATOM 836 N ARG 106 12.788 23.496 15.673 1.00116.00 1SG 837 ATOM 837 CA ARG 106 13.980 23.957 16.307 1.00116.00 1SG 838 ATOM 838 CB ARG 106 13.686 24.746 17.597 1.00116.00 1SG 839 ATOM 839 CG ARG 106 14.857 25.565 18.143 1.00116.00 1SG 840 ATOM 840 CD ARG 106 14.531 26.260 19.466 1.00116.00 1SG 841 ATOM 841 NE ARG 106 15.503 27.376 19.634 1.00116.00 1SG 842 ATOM 842 CZ ARG 106 15.167 28.443 20.421 1.00116.00 1SG 843 ATOM 843 NH1 ARG 106 14.008 28.421 21.134 1.00116.00 1SG 844 ATOM 844 NH2 ARG 106 15.996 29.530 20.487 1.00116.00 1SG 845 ATOM 845 C ARG 106 14.665 22.703 16.702 1.00116.00 1SG 846 ATOM 846 O ARG 106 14.152 21.611 16.463 1.00116.00 1SG 847 ATOM 847 N ARG 107 15.852 22.812 17.307 1.00171.33 1SG 848 ATOM 848 CA ARG 107 16.459 21.590 17.740 1.00171.33 1SG 849 ATOM 849 CB ARG 107 17.989 21.554 17.568 1.00171.33 1SG 850 ATOM 850 CG ARG 107 18.598 20.325 18.259 1.00171.33 1SG 851 ATOM 851 CD ARG 107 20.110 20.386 18.476 1.00171.33 1SG 852 ATOM 852 NE ARG 107 20.480 19.183 19.271 1.00171.33 1SG 853 ATOM 853 CZ ARG 107 21.694 18.581 19.100 1.00171.33 1SG 854 ATOM 854 NH1 ARG 107 22.568 19.053 18.166 1.00171.33 1SG 855 ATOM 855 NH2 ARG 107 22.034 17.501 19.862 1.00171.33 1SG 856 ATOM 856 C ARG 107 16.229 21.433 19.223 1.00171.33 1SG 857 ATOM 857 O ARG 107 16.646 22.296 19.967 1.00171.33 1SG 858 ATOM 858 N PRO 108 15.506 20.419 19.665 1.00183.63 1SG 859 ATOM 859 CA PRO 108 15.416 20.144 21.090 1.00183.63 1SG 860 ATOM 860 CD PRO 108 14.221 20.183 19.019 1.00183.63 1SG 861 ATOM 861 CB PRO 108 13.938 19.979 21.407 1.00183.63 1SG 862 ATOM 862 CG PRO 108 13.347 19.497 20.083 1.00183.63 1SG 863 ATOM 863 C PRO 108 16.183 18.905 21.454 1.00183.63 1SG 864 ATOM 864 O PRO 108 16.680 18.213 20.567 1.00183.63 1SG 865 ATOM 865 N GLY 109 16.257 18.588 22.761 1.00 43.77 1SG 866 ATOM 866 CA GLY 109 16.840 17.349 23.196 1.00 43.77 1SG 867 ATOM 867 C GLY 109 15.996 16.919 24.352 1.00 43.77 1SG 868 ATOM 868 O GLY 109 15.574 17.741 25.161 1.00 43.77 1SG 869 ATOM 869 N ARG 110 15.713 15.612 24.478 1.00 73.08 1SG 870 ATOM 870 CA ARG 110 14.873 15.253 25.577 1.00 73.08 1SG 871 ATOM 871 CB ARG 110 13.743 14.288 25.178 1.00 73.08 1SG 872 ATOM 872 CG ARG 110 12.861 14.871 24.079 1.00 73.08 1SG 873 ATOM 873 CD ARG 110 11.553 14.115 23.843 1.00 73.08 1SG 874 ATOM 874 NE ARG 110 10.807 14.867 22.795 1.00 73.08 1SG 875 ATOM 875 CZ ARG 110 9.451 14.743 22.701 1.00 73.08 1SG 876 ATOM 876 NH1 ARG 110 8.774 13.930 23.563 1.00 73.08 1SG 877 ATOM 877 NH2 ARG 110 8.771 15.439 21.744 1.00 73.08 1SG 878 ATOM 878 C ARG 110 15.727 14.550 26.565 1.00 73.08 1SG 879 ATOM 879 O ARG 110 16.448 13.620 26.217 1.00 73.08 1SG 880 ATOM 880 N VAL 111 15.708 15.007 27.825 1.00 64.11 1SG 881 ATOM 881 CA VAL 111 16.437 14.265 28.808 1.00 64.11 1SG 882 ATOM 882 CB VAL 111 17.419 15.098 29.574 1.00 64.11 1SG 883 ATOM 883 CG1 VAL 111 18.233 14.175 30.499 1.00 64.11 1SG 884 ATOM 884 CG2 VAL 111 18.269 15.897 28.575 1.00 64.11 1SG 885 ATOM 885 C VAL 111 15.354 13.800 29.723 1.00 64.11 1SG 886 ATOM 886 O VAL 111 14.492 14.588 30.110 1.00 64.11 1SG 887 ATOM 887 N MET 112 15.329 12.500 30.073 1.00 76.88 1SG 888 ATOM 888 CA MET 112 14.213 12.077 30.863 1.00 76.88 1SG 889 ATOM 889 CB MET 112 13.139 11.312 30.069 1.00 76.88 1SG 890 ATOM 890 CG MET 112 12.354 12.153 29.066 1.00 76.88 1SG 891 ATOM 891 SD MET 112 11.087 11.211 28.164 1.00 76.88 1SG 892 ATOM 892 CE MET 112 10.464 12.612 27.192 1.00 76.88 1SG 893 ATOM 893 C MET 112 14.659 11.152 31.942 1.00 76.88 1SG 894 ATOM 894 O MET 112 15.598 10.374 31.798 1.00 76.88 1SG 895 ATOM 895 N PHE 113 13.939 11.248 33.062 1.00145.81 1SG 896 ATOM 896 CA PHE 113 14.071 10.469 34.249 1.00145.81 1SG 897 ATOM 897 CB PHE 113 13.176 11.111 35.328 1.00145.81 1SG 898 ATOM 898 CG PHE 113 13.809 12.373 35.798 1.00145.81 1SG 899 ATOM 899 CD1 PHE 113 14.344 13.288 34.932 1.00145.81 1SG 900 ATOM 900 CD2 PHE 113 13.798 12.696 37.140 1.00145.81 1SG 901 ATOM 901 CE1 PHE 113 14.921 14.439 35.388 1.00145.81 1SG 902 ATOM 902 CE2 PHE 113 14.367 13.853 37.605 1.00145.81 1SG 903 ATOM 903 CZ PHE 113 14.939 14.720 36.725 1.00145.81 1SG 904 ATOM 904 C PHE 113 13.412 9.160 33.935 1.00145.81 1SG 905 ATOM 905 O PHE 113 12.298 9.140 33.413 1.00145.81 1SG 906 ATOM 906 N VAL 114 14.082 8.028 34.219 1.00 67.58 1SG 907 ATOM 907 CA VAL 114 13.436 6.764 34.069 1.00 67.58 1SG 908 ATOM 908 CB VAL 114 14.161 5.804 33.181 1.00 67.58 1SG 909 ATOM 909 CG1 VAL 114 13.550 4.404 33.350 1.00 67.58 1SG 910 ATOM 910 CG2 VAL 114 14.001 6.337 31.751 1.00 67.58 1SG 911 ATOM 911 C VAL 114 13.302 6.124 35.409 1.00 67.58 1SG 912 ATOM 912 O VAL 114 14.293 5.854 36.083 1.00 67.58 1SG 913 ATOM 913 N ASP 115 12.032 5.881 35.799 1.00 63.84 1SG 914 ATOM 914 CA ASP 115 11.651 5.214 37.012 1.00 63.84 1SG 915 ATOM 915 CB ASP 115 11.010 6.133 38.069 1.00 63.84 1SG 916 ATOM 916 CG ASP 115 12.059 7.057 38.669 1.00 63.84 1SG 917 ATOM 917 OD1 ASP 115 13.268 6.706 38.649 1.00 63.84 1SG 918 ATOM 918 OD2 ASP 115 11.647 8.139 39.165 1.00 63.84 1SG 919 ATOM 919 C ASP 115 10.558 4.285 36.596 1.00 63.84 1SG 920 ATOM 920 O ASP 115 9.864 4.545 35.615 1.00 63.84 1SG 921 ATOM 921 N LEU 116 10.369 3.163 37.312 1.00160.08 1SG 922 ATOM 922 CA LEU 116 9.294 2.319 36.896 1.00160.08 1SG 923 ATOM 923 CB LEU 116 9.270 0.953 37.611 1.00160.08 1SG 924 ATOM 924 CG LEU 116 8.114 0.033 37.167 1.00160.08 1SG 925 ATOM 925 CD2 LEU 116 8.019 -1.210 38.067 1.00160.08 1SG 926 ATOM 926 CD1 LEU 116 8.218 -0.329 35.678 1.00160.08 1SG 927 ATOM 927 C LEU 116 8.027 3.043 37.226 1.00160.08 1SG 928 ATOM 928 O LEU 116 7.637 3.124 38.389 1.00160.08 1SG 929 ATOM 929 N SER 117 7.374 3.591 36.177 1.00190.42 1SG 930 ATOM 930 CA SER 117 6.129 4.313 36.228 1.00190.42 1SG 931 ATOM 931 CB SER 117 5.234 4.008 37.442 1.00190.42 1SG 932 ATOM 932 OG SER 117 4.045 4.786 37.383 1.00190.42 1SG 933 ATOM 933 C SER 117 6.419 5.779 36.245 1.00190.42 1SG 934 ATOM 934 O SER 117 7.444 6.213 36.767 1.00190.42 1SG 935 ATOM 935 N GLU 118 5.522 6.585 35.639 1.00159.36 1SG 936 ATOM 936 CA GLU 118 5.688 8.006 35.704 1.00159.36 1SG 937 ATOM 937 CB GLU 118 7.010 8.509 35.099 1.00159.36 1SG 938 ATOM 938 CG GLU 118 7.099 8.385 33.574 1.00159.36 1SG 939 ATOM 939 CD GLU 118 7.541 6.971 33.223 1.00159.36 1SG 940 ATOM 940 OE1 GLU 118 8.085 6.279 34.123 1.00159.36 1SG 941 ATOM 941 OE2 GLU 118 7.346 6.568 32.047 1.00159.36 1SG 942 ATOM 942 C GLU 118 4.606 8.685 34.916 1.00159.36 1SG 943 ATOM 943 O GLU 118 4.182 8.186 33.876 1.00159.36 1SG 944 ATOM 944 N VAL 119 4.108 9.841 35.414 1.00143.10 1SG 945 ATOM 945 CA VAL 119 3.153 10.661 34.709 1.00143.10 1SG 946 ATOM 946 CB VAL 119 1.771 10.085 34.684 1.00143.10 1SG 947 ATOM 947 CG1 VAL 119 1.250 9.958 36.128 1.00143.10 1SG 948 ATOM 948 CG2 VAL 119 0.889 10.985 33.802 1.00143.10 1SG 949 ATOM 949 C VAL 119 3.079 11.965 35.447 1.00143.10 1SG 950 ATOM 950 O VAL 119 3.044 11.969 36.676 1.00143.10 1SG 951 ATOM 951 N ARG 120 3.065 13.113 34.732 1.00327.73 1SG 952 ATOM 952 CA ARG 120 2.941 14.384 35.403 1.00327.73 1SG 953 ATOM 953 CB ARG 120 4.206 14.898 36.123 1.00327.73 1SG 954 ATOM 954 CG ARG 120 4.659 14.085 37.336 1.00327.73 1SG 955 ATOM 955 CD ARG 120 5.560 14.874 38.290 1.00327.73 1SG 956 ATOM 956 NE ARG 120 6.579 15.577 37.466 1.00327.73 1SG 957 ATOM 957 CZ ARG 120 6.551 16.935 37.397 1.00327.73 1SG 958 ATOM 958 NH1 ARG 120 5.620 17.638 38.116 1.00327.73 1SG 959 ATOM 959 NH2 ARG 120 7.435 17.598 36.599 1.00327.73 1SG 960 ATOM 960 C ARG 120 2.585 15.449 34.414 1.00327.73 1SG 961 ATOM 961 O ARG 120 2.779 15.310 33.206 1.00327.73 1SG 962 ATOM 962 N TRP 121 2.030 16.551 34.947 1.00 92.54 1SG 963 ATOM 963 CA TRP 121 1.670 17.716 34.198 1.00 92.54 1SG 964 ATOM 964 CB TRP 121 0.161 18.022 34.268 1.00 92.54 1SG 965 ATOM 965 CG TRP 121 -0.264 19.379 33.747 1.00 92.54 1SG 966 ATOM 966 CD2 TRP 121 -0.594 20.471 34.621 1.00 92.54 1SG 967 ATOM 967 CD1 TRP 121 -0.446 19.838 32.473 1.00 92.54 1SG 968 ATOM 968 NE1 TRP 121 -0.861 21.151 32.503 1.00 92.54 1SG 969 ATOM 969 CE2 TRP 121 -0.963 21.549 33.819 1.00 92.54 1SG 970 ATOM 970 CE3 TRP 121 -0.602 20.561 35.981 1.00 92.54 1SG 971 ATOM 971 CZ2 TRP 121 -1.344 22.741 34.368 1.00 92.54 1SG 972 ATOM 972 CZ3 TRP 121 -0.978 21.764 36.534 1.00 92.54 1SG 973 ATOM 973 CH2 TRP 121 -1.344 22.834 35.744 1.00 92.54 1SG 974 ATOM 974 C TRP 121 2.414 18.889 34.834 1.00 92.54 1SG 975 ATOM 975 O TRP 121 3.071 18.662 35.886 1.00 92.54 1SG 976 ATOM 976 OXT TRP 121 2.340 20.025 34.291 1.00 92.54 1SG 977 TER END