EXPDTA 3D-JIGSAW_RECOM_TS3-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called 3D-JIGSAW_RECOM_TS3-scwrl ATOM 1 N MET A 1 105.048 2.517 -11.781 1.00 0.00 ATOM 2 CA MET A 1 103.748 2.251 -11.244 1.00 0.00 ATOM 3 CB MET A 1 103.622 0.778 -10.849 1.00 0.00 ATOM 4 CG MET A 1 103.617 -0.182 -12.028 1.00 0.00 ATOM 5 SD MET A 1 102.245 0.114 -13.160 1.00 0.00 ATOM 6 CE MET A 1 100.856 -0.385 -12.146 1.00 0.00 ATOM 7 O MET A 1 102.469 3.508 -9.704 1.00 0.00 ATOM 8 C MET A 1 103.577 3.117 -10.044 1.00 0.00 ATOM 9 N LYS A 2 104.685 3.459 -9.380 1.00 0.00 ATOM 10 CA LYS A 2 104.602 4.258 -8.207 1.00 0.00 ATOM 11 CB LYS A 2 105.948 4.284 -7.480 1.00 0.00 ATOM 12 CG LYS A 2 106.325 2.965 -6.825 1.00 0.00 ATOM 13 CD LYS A 2 107.668 3.064 -6.119 1.00 0.00 ATOM 14 CE LYS A 2 108.061 1.735 -5.493 1.00 0.00 ATOM 15 NZ LYS A 2 109.386 1.810 -4.818 1.00 0.00 ATOM 16 O LYS A 2 103.389 6.294 -8.017 1.00 0.00 ATOM 17 C LYS A 2 104.222 5.644 -8.645 1.00 0.00 ATOM 18 N PHE A 3 104.819 6.115 -9.753 1.00 0.00 ATOM 19 CA PHE A 3 104.577 7.442 -10.249 1.00 0.00 ATOM 20 CB PHE A 3 105.486 7.742 -11.443 1.00 0.00 ATOM 21 CG PHE A 3 106.914 8.015 -11.064 1.00 0.00 ATOM 22 CD1 PHE A 3 107.888 7.047 -11.235 1.00 0.00 ATOM 23 CD2 PHE A 3 107.282 9.240 -10.536 1.00 0.00 ATOM 24 CE1 PHE A 3 109.201 7.299 -10.886 1.00 0.00 ATOM 25 CE2 PHE A 3 108.596 9.492 -10.187 1.00 0.00 ATOM 26 CZ PHE A 3 109.553 8.528 -10.360 1.00 0.00 ATOM 27 O PHE A 3 102.470 8.533 -10.548 1.00 0.00 ATOM 28 C PHE A 3 103.132 7.503 -10.670 1.00 0.00 ATOM 29 N LEU A 4 102.595 6.370 -11.137 1.00 0.00 ATOM 30 CA LEU A 4 101.251 6.315 -11.610 1.00 0.00 ATOM 31 CB LEU A 4 100.999 5.004 -12.357 1.00 0.00 ATOM 32 CG LEU A 4 101.717 4.839 -13.698 1.00 0.00 ATOM 33 CD1 LEU A 4 101.523 3.431 -14.242 1.00 0.00 ATOM 34 CD2 LEU A 4 101.174 5.823 -14.723 1.00 0.00 ATOM 35 O LEU A 4 99.345 7.139 -10.516 1.00 0.00 ATOM 36 C LEU A 4 100.325 6.403 -10.441 1.00 0.00 ATOM 37 N THR A 5 100.609 5.667 -9.348 1.00 0.00 ATOM 38 CA THR A 5 99.821 5.686 -8.156 1.00 0.00 ATOM 39 CB THR A 5 100.450 4.818 -7.050 1.00 0.00 ATOM 40 CG2 THR A 5 99.616 4.888 -5.780 1.00 0.00 ATOM 41 OG1 THR A 5 100.515 3.455 -7.488 1.00 0.00 ATOM 42 O THR A 5 98.591 7.516 -7.334 1.00 0.00 ATOM 43 C THR A 5 99.703 7.084 -7.638 1.00 0.00 ATOM 44 N THR A 6 100.831 7.815 -7.527 1.00 0.00 ATOM 45 CA THR A 6 100.812 9.155 -7.059 1.00 0.00 ATOM 46 CB THR A 6 102.209 9.799 -7.135 1.00 0.00 ATOM 47 CG2 THR A 6 102.155 11.245 -6.666 1.00 0.00 ATOM 48 OG1 THR A 6 103.119 9.074 -6.299 1.00 0.00 ATOM 49 O THR A 6 99.096 10.776 -7.331 1.00 0.00 ATOM 50 C THR A 6 99.872 9.999 -7.883 1.00 0.00 ATOM 51 N ASN A 7 99.905 9.861 -9.220 1.00 0.00 ATOM 52 CA ASN A 7 99.117 10.687 -10.096 1.00 0.00 ATOM 53 CB ASN A 7 99.452 10.389 -11.559 1.00 0.00 ATOM 54 CG ASN A 7 100.810 10.925 -11.966 1.00 0.00 ATOM 55 ND2 ASN A 7 101.368 10.369 -13.036 1.00 0.00 ATOM 56 OD1 ASN A 7 101.350 11.828 -11.326 1.00 0.00 ATOM 57 O ASN A 7 96.833 11.308 -9.915 1.00 0.00 ATOM 58 C ASN A 7 97.664 10.404 -9.854 1.00 0.00 ATOM 59 N PHE A 8 97.318 9.143 -9.541 1.00 0.00 ATOM 60 CA PHE A 8 95.957 8.757 -9.302 1.00 0.00 ATOM 61 CB PHE A 8 95.845 7.236 -9.182 1.00 0.00 ATOM 62 CG PHE A 8 94.431 6.738 -9.088 1.00 0.00 ATOM 63 CD1 PHE A 8 93.605 6.739 -10.198 1.00 0.00 ATOM 64 CD2 PHE A 8 93.926 6.268 -7.888 1.00 0.00 ATOM 65 CE1 PHE A 8 92.304 6.281 -10.111 1.00 0.00 ATOM 66 CE2 PHE A 8 92.625 5.811 -7.801 1.00 0.00 ATOM 67 CZ PHE A 8 91.815 5.816 -8.906 1.00 0.00 ATOM 68 O PHE A 8 94.299 9.741 -7.950 1.00 0.00 ATOM 69 C PHE A 8 95.468 9.375 -8.034 1.00 0.00 ATOM 70 N LEU A 9 96.343 9.523 -7.027 1.00 0.00 ATOM 71 CA LEU A 9 95.972 10.090 -5.763 1.00 0.00 ATOM 72 CB LEU A 9 97.074 9.857 -4.727 1.00 0.00 ATOM 73 CG LEU A 9 97.298 8.408 -4.290 1.00 0.00 ATOM 74 CD1 LEU A 9 98.514 8.302 -3.383 1.00 0.00 ATOM 75 CD2 LEU A 9 96.090 7.883 -3.529 1.00 0.00 ATOM 76 O LEU A 9 94.911 12.151 -5.281 1.00 0.00 ATOM 77 C LEU A 9 95.761 11.564 -5.942 1.00 0.00 ATOM 78 N LYS A 10 96.511 12.200 -6.854 1.00 0.00 ATOM 79 CA LYS A 10 96.361 13.604 -7.079 1.00 0.00 ATOM 80 CB LYS A 10 97.447 14.114 -8.028 1.00 0.00 ATOM 81 CG LYS A 10 97.402 15.613 -8.276 1.00 0.00 ATOM 82 CD LYS A 10 98.561 16.063 -9.150 1.00 0.00 ATOM 83 CE LYS A 10 98.502 17.558 -9.418 1.00 0.00 ATOM 84 NZ LYS A 10 99.620 18.011 -10.291 1.00 0.00 ATOM 85 O LYS A 10 94.318 14.797 -7.290 1.00 0.00 ATOM 86 C LYS A 10 95.015 13.865 -7.688 1.00 0.00 ATOM 87 N CYS A 11 94.612 13.034 -8.666 1.00 0.00 ATOM 88 CA CYS A 11 93.342 13.200 -9.306 1.00 0.00 ATOM 89 CB CYS A 11 93.202 12.229 -10.480 1.00 0.00 ATOM 90 SG CYS A 11 94.270 12.603 -11.890 1.00 0.00 ATOM 91 O CYS A 11 91.197 13.602 -8.426 1.00 0.00 ATOM 92 C CYS A 11 92.226 12.938 -8.343 1.00 0.00 ATOM 93 N SER A 12 92.394 11.966 -7.422 1.00 0.00 ATOM 94 CA SER A 12 91.401 11.658 -6.438 1.00 0.00 ATOM 95 CB SER A 12 91.877 10.519 -5.534 1.00 0.00 ATOM 96 OG SER A 12 91.990 9.306 -6.258 1.00 0.00 ATOM 97 O SER A 12 89.958 13.176 -5.371 1.00 0.00 ATOM 98 C SER A 12 91.120 12.851 -5.584 1.00 0.00 ATOM 99 N VAL A 13 92.169 13.535 -5.091 1.00 0.00 ATOM 100 CA VAL A 13 92.008 14.653 -4.210 1.00 0.00 ATOM 101 CB VAL A 13 93.368 15.210 -3.750 1.00 0.00 ATOM 102 CG1 VAL A 13 93.180 16.509 -2.982 1.00 0.00 ATOM 103 CG2 VAL A 13 94.073 14.213 -2.843 1.00 0.00 ATOM 104 O VAL A 13 90.432 16.430 -4.373 1.00 0.00 ATOM 105 C VAL A 13 91.257 15.727 -4.956 1.00 0.00 ATOM 106 N LYS A 14 91.503 15.872 -6.274 1.00 0.00 ATOM 107 CA LYS A 14 90.850 16.903 -7.016 1.00 0.00 ATOM 108 CB LYS A 14 91.515 17.083 -8.382 1.00 0.00 ATOM 109 CG LYS A 14 92.904 17.699 -8.320 1.00 0.00 ATOM 110 CD LYS A 14 93.502 17.853 -9.709 1.00 0.00 ATOM 111 CE LYS A 14 94.904 18.437 -9.644 1.00 0.00 ATOM 112 NZ LYS A 14 95.512 18.572 -10.997 1.00 0.00 ATOM 113 O LYS A 14 88.575 17.477 -7.216 1.00 0.00 ATOM 114 C LYS A 14 89.411 16.580 -7.243 1.00 0.00 ATOM 115 N ALA A 15 89.093 15.298 -7.463 1.00 0.00 ATOM 116 CA ALA A 15 87.749 14.865 -7.695 1.00 0.00 ATOM 117 CB ALA A 15 87.723 13.389 -8.063 1.00 0.00 ATOM 118 O ALA A 15 85.754 15.390 -6.550 1.00 0.00 ATOM 119 C ALA A 15 86.937 15.073 -6.454 1.00 0.00 ATOM 120 N CYS A 16 87.558 14.886 -5.271 1.00 0.00 ATOM 121 CA CYS A 16 86.903 15.093 -4.014 1.00 0.00 ATOM 122 CB CYS A 16 87.821 14.689 -2.859 1.00 0.00 ATOM 123 SG CYS A 16 88.128 12.912 -2.735 1.00 0.00 ATOM 124 O CYS A 16 85.466 16.865 -3.429 1.00 0.00 ATOM 125 C CYS A 16 86.554 16.540 -3.884 1.00 0.00 ATOM 126 N ASP A 17 87.471 17.445 -4.270 1.00 0.00 ATOM 127 CA ASP A 17 87.289 18.868 -4.133 1.00 0.00 ATOM 128 CB ASP A 17 88.638 19.588 -4.181 1.00 0.00 ATOM 129 CG ASP A 17 88.535 21.046 -3.781 1.00 0.00 ATOM 130 OD1 ASP A 17 88.096 21.321 -2.645 1.00 0.00 ATOM 131 OD2 ASP A 17 88.893 21.915 -4.604 1.00 0.00 ATOM 132 O ASP A 17 85.812 20.534 -4.887 1.00 0.00 ATOM 133 C ASP A 17 86.438 19.528 -5.193 1.00 0.00 ATOM 134 N THR A 18 86.316 19.019 -6.449 1.00 0.00 ATOM 135 CA THR A 18 85.160 19.314 -7.286 1.00 0.00 ATOM 136 CB THR A 18 85.011 18.288 -8.425 1.00 0.00 ATOM 137 CG2 THR A 18 83.812 18.630 -9.296 1.00 0.00 ATOM 138 OG1 THR A 18 86.192 18.296 -9.236 1.00 0.00 ATOM 139 O THR A 18 82.988 20.110 -6.685 1.00 0.00 ATOM 140 C THR A 18 83.880 19.287 -6.470 1.00 0.00 ATOM 141 N SER A 19 83.774 18.362 -5.493 1.00 0.00 ATOM 142 CA SER A 19 82.616 18.295 -4.656 1.00 0.00 ATOM 143 CB SER A 19 82.583 16.969 -3.893 1.00 0.00 ATOM 144 OG SER A 19 82.459 15.872 -4.781 1.00 0.00 ATOM 145 O SER A 19 81.459 19.566 -3.063 1.00 0.00 ATOM 146 C SER A 19 82.537 19.387 -3.619 1.00 0.00 ATOM 147 N ASN A 20 83.625 20.141 -3.355 1.00 0.00 ATOM 148 CA ASN A 20 83.640 21.385 -2.607 1.00 0.00 ATOM 149 CB ASN A 20 82.353 22.175 -2.855 1.00 0.00 ATOM 150 CG ASN A 20 82.264 22.714 -4.269 1.00 0.00 ATOM 151 ND2 ASN A 20 81.042 22.901 -4.754 1.00 0.00 ATOM 152 OD1 ASN A 20 83.283 22.958 -4.916 1.00 0.00 ATOM 153 O ASN A 20 83.399 21.968 -0.326 1.00 0.00 ATOM 154 C ASN A 20 83.753 21.108 -1.133 1.00 0.00 ATOM 155 N ASP A 21 84.283 19.930 -0.738 1.00 0.00 ATOM 156 CA ASP A 21 84.192 19.456 0.633 1.00 0.00 ATOM 157 CB ASP A 21 83.510 18.087 0.683 1.00 0.00 ATOM 158 CG ASP A 21 82.065 18.139 0.227 1.00 0.00 ATOM 159 OD1 ASP A 21 81.313 18.998 0.734 1.00 0.00 ATOM 160 OD2 ASP A 21 81.685 17.321 -0.637 1.00 0.00 ATOM 161 O ASP A 21 86.551 19.354 0.311 1.00 0.00 ATOM 162 C ASP A 21 85.625 19.369 1.123 1.00 0.00 ATOM 163 N ASN A 22 85.822 19.248 2.456 1.00 0.00 ATOM 164 CA ASN A 22 87.109 19.169 3.111 1.00 0.00 ATOM 165 CB ASN A 22 87.463 20.508 3.761 1.00 0.00 ATOM 166 CG ASN A 22 87.671 21.612 2.743 1.00 0.00 ATOM 167 ND2 ASN A 22 86.682 22.488 2.611 1.00 0.00 ATOM 168 OD1 ASN A 22 88.710 21.675 2.086 1.00 0.00 ATOM 169 O ASN A 22 86.023 17.842 4.807 1.00 0.00 ATOM 170 C ASN A 22 87.050 18.091 4.183 1.00 0.00 ATOM 171 N PHE A 23 88.173 17.428 4.467 1.00 0.00 ATOM 172 CA PHE A 23 88.198 16.319 5.396 1.00 0.00 ATOM 173 CB PHE A 23 87.866 15.010 4.677 1.00 0.00 ATOM 174 CG PHE A 23 86.518 15.008 4.014 1.00 0.00 ATOM 175 CD1 PHE A 23 86.387 15.342 2.678 1.00 0.00 ATOM 176 CD2 PHE A 23 85.380 14.671 4.728 1.00 0.00 ATOM 177 CE1 PHE A 23 85.146 15.340 2.068 1.00 0.00 ATOM 178 CE2 PHE A 23 84.140 14.669 4.118 1.00 0.00 ATOM 179 CZ PHE A 23 84.020 15.001 2.794 1.00 0.00 ATOM 180 O PHE A 23 90.289 17.260 5.329 1.00 0.00 ATOM 181 C PHE A 23 89.595 16.398 5.858 1.00 0.00 ATOM 182 N PRO A 24 90.126 15.570 6.718 1.00 0.00 ATOM 183 CA PRO A 24 91.530 15.749 6.971 1.00 0.00 ATOM 184 CB PRO A 24 91.651 15.626 8.491 1.00 0.00 ATOM 185 CG PRO A 24 90.567 14.675 8.876 1.00 0.00 ATOM 186 CD PRO A 24 89.468 14.866 7.869 1.00 0.00 ATOM 187 O PRO A 24 91.535 13.569 6.097 1.00 0.00 ATOM 188 C PRO A 24 92.139 14.636 6.204 1.00 0.00 ATOM 189 N LEU A 25 93.312 14.882 5.624 1.00 0.00 ATOM 190 CA LEU A 25 93.992 13.868 4.905 1.00 0.00 ATOM 191 CB LEU A 25 94.494 14.407 3.564 1.00 0.00 ATOM 192 CG LEU A 25 93.430 14.964 2.616 1.00 0.00 ATOM 193 CD1 LEU A 25 94.073 15.538 1.363 1.00 0.00 ATOM 194 CD2 LEU A 25 92.461 13.870 2.194 1.00 0.00 ATOM 195 O LEU A 25 95.670 14.208 6.550 1.00 0.00 ATOM 196 C LEU A 25 95.127 13.448 5.753 1.00 0.00 ATOM 197 N GLN A 26 95.517 12.197 5.532 1.00 0.00 ATOM 198 CA GLN A 26 96.597 11.589 6.221 1.00 0.00 ATOM 199 CB GLN A 26 96.096 10.434 7.091 1.00 0.00 ATOM 200 CG GLN A 26 95.075 10.845 8.139 1.00 0.00 ATOM 201 CD GLN A 26 95.683 11.680 9.249 1.00 0.00 ATOM 202 OE1 GLN A 26 96.809 11.433 9.678 1.00 0.00 ATOM 203 NE2 GLN A 26 94.936 12.674 9.716 1.00 0.00 ATOM 204 O GLN A 26 96.802 10.880 3.979 1.00 0.00 ATOM 205 C GLN A 26 97.383 11.173 5.026 1.00 0.00 ATOM 206 N TYR 27 98.711 11.157 5.131 1.00 0.00 ATOM 207 CA TYR 27 99.487 10.696 4.038 1.00 0.00 ATOM 208 C CYS 32 106.132 5.297 8.003 1.00 0.00 ATOM 209 N GLN A 33 106.410 6.113 7.007 1.00 0.00 ATOM 210 CA GLN A 33 106.856 7.479 7.099 1.00 0.00 ATOM 211 CB GLN A 33 107.779 7.821 5.928 1.00 0.00 ATOM 212 CG GLN A 33 108.355 9.227 5.982 1.00 0.00 ATOM 213 CD GLN A 33 109.371 9.483 4.886 1.00 0.00 ATOM 214 OE1 GLN A 33 109.531 8.672 3.973 1.00 0.00 ATOM 215 NE2 GLN A 33 110.061 10.614 4.973 1.00 0.00 ATOM 216 O GLN A 33 104.875 8.375 6.144 1.00 0.00 ATOM 217 C GLN A 33 105.646 8.385 7.066 1.00 0.00 ATOM 218 N LEU A 34 105.392 9.248 8.054 1.00 0.00 ATOM 219 CA LEU A 34 104.134 9.952 8.069 1.00 0.00 ATOM 220 CB LEU A 34 103.325 9.578 9.313 1.00 0.00 ATOM 221 CG LEU A 34 102.980 8.096 9.476 1.00 0.00 ATOM 222 CD1 LEU A 34 102.304 7.846 10.815 1.00 0.00 ATOM 223 CD2 LEU A 34 102.036 7.639 8.374 1.00 0.00 ATOM 224 O LEU A 34 105.327 11.956 8.346 1.00 0.00 ATOM 225 C LEU A 34 104.256 11.422 8.081 1.00 0.00 ATOM 226 N VAL A 35 103.085 12.076 7.998 1.00 0.00 ATOM 227 CA VAL A 35 102.832 13.410 7.561 1.00 0.00 ATOM 228 CB VAL A 35 101.438 13.539 6.920 1.00 0.00 ATOM 229 CG1 VAL A 35 101.163 14.983 6.529 1.00 0.00 ATOM 230 CG2 VAL A 35 101.345 12.677 5.670 1.00 0.00 ATOM 231 O VAL A 35 102.303 13.944 9.833 1.00 0.00 ATOM 232 C VAL A 35 102.932 14.238 8.823 1.00 0.00 ATOM 233 N GLN A 36 103.789 15.275 8.812 1.00 0.00 ATOM 234 CA GLN A 36 104.088 16.002 10.008 1.00 0.00 ATOM 235 CB GLN A 36 105.515 16.551 9.959 1.00 0.00 ATOM 236 CG GLN A 36 106.590 15.479 9.874 1.00 0.00 ATOM 237 CD GLN A 36 107.988 16.061 9.805 1.00 0.00 ATOM 238 OE1 GLN A 36 108.171 17.275 9.895 1.00 0.00 ATOM 239 NE2 GLN A 36 108.981 15.194 9.644 1.00 0.00 ATOM 240 O GLN A 36 103.177 17.683 11.374 1.00 0.00 ATOM 241 C GLN A 36 103.189 17.175 10.253 1.00 0.00 ATOM 242 N ASP A 37 102.447 17.645 9.227 1.00 0.00 ATOM 243 CA ASP A 37 101.772 18.928 9.296 1.00 0.00 ATOM 244 CB ASP A 37 102.355 19.896 8.265 1.00 0.00 ATOM 245 CG ASP A 37 101.820 21.306 8.421 1.00 0.00 ATOM 246 OD1 ASP A 37 101.236 21.605 9.484 1.00 0.00 ATOM 247 OD2 ASP A 37 101.984 22.112 7.481 1.00 0.00 ATOM 248 O ASP A 37 99.740 19.048 8.062 1.00 0.00 ATOM 249 C ASP A 37 100.367 18.554 8.999 1.00 0.00 ATOM 250 N GLU A 38 99.856 17.620 9.820 1.00 0.00 ATOM 251 CA GLU A 38 98.492 17.232 9.807 1.00 0.00 ATOM 252 CB GLU A 38 98.180 16.330 11.003 1.00 0.00 ATOM 253 CG GLU A 38 98.808 14.949 10.919 1.00 0.00 ATOM 254 CD GLU A 38 98.589 14.132 12.177 1.00 0.00 ATOM 255 OE1 GLU A 38 98.005 14.671 13.141 1.00 0.00 ATOM 256 OE2 GLU A 38 99.001 12.953 12.200 1.00 0.00 ATOM 257 O GLU A 38 96.532 18.411 9.409 1.00 0.00 ATOM 258 C GLU A 38 97.618 18.452 9.878 1.00 0.00 ATOM 259 N SER A 39 97.953 19.641 10.365 1.00 0.00 ATOM 260 CA SER A 39 96.913 20.649 10.481 1.00 0.00 ATOM 261 CB SER A 39 97.335 21.744 11.462 1.00 0.00 ATOM 262 OG SER A 39 98.458 22.459 10.976 1.00 0.00 ATOM 263 O SER A 39 95.269 21.830 9.186 1.00 0.00 ATOM 264 C SER A 39 96.443 21.459 9.248 1.00 0.00 ATOM 265 N ILE A 40 97.284 21.775 8.223 1.00 0.00 ATOM 266 CA ILE A 40 96.798 22.103 6.890 1.00 0.00 ATOM 267 CB ILE A 40 97.926 22.655 5.998 1.00 0.00 ATOM 268 CG1 ILE A 40 99.016 21.599 5.803 1.00 0.00 ATOM 269 CG2 ILE A 40 98.554 23.885 6.634 1.00 0.00 ATOM 270 CD1 ILE A 40 100.066 21.988 4.785 1.00 0.00 ATOM 271 O ILE A 40 95.990 20.775 5.015 1.00 0.00 ATOM 272 C ILE A 40 96.226 20.839 6.222 1.00 0.00 ATOM 273 N GLU A 41 95.907 19.767 6.975 1.00 0.00 ATOM 274 CA GLU A 41 95.458 18.545 6.379 1.00 0.00 ATOM 275 CB GLU A 41 95.262 17.468 7.448 1.00 0.00 ATOM 276 CG GLU A 41 94.126 17.755 8.417 1.00 0.00 ATOM 277 CD GLU A 41 93.988 16.688 9.485 1.00 0.00 ATOM 278 OE1 GLU A 41 94.804 15.742 9.489 1.00 0.00 ATOM 279 OE2 GLU A 41 93.065 16.798 10.319 1.00 0.00 ATOM 280 O GLU A 41 93.809 17.697 5.024 1.00 0.00 ATOM 281 C GLU A 41 94.181 18.665 5.664 1.00 0.00 ATOM 282 N PHE A 42 93.436 19.777 5.776 1.00 0.00 ATOM 283 CA PHE A 42 92.167 19.824 5.139 1.00 0.00 ATOM 284 CB PHE A 42 91.104 20.358 6.101 1.00 0.00 ATOM 285 CG PHE A 42 90.899 19.499 7.316 1.00 0.00 ATOM 286 CD1 PHE A 42 91.419 19.873 8.542 1.00 0.00 ATOM 287 CD2 PHE A 42 90.187 18.315 7.232 1.00 0.00 ATOM 288 CE1 PHE A 42 91.230 19.083 9.660 1.00 0.00 ATOM 289 CE2 PHE A 42 89.998 17.524 8.349 1.00 0.00 ATOM 290 CZ PHE A 42 90.517 17.903 9.560 1.00 0.00 ATOM 291 O PHE A 42 91.096 20.980 3.401 1.00 0.00 ATOM 292 C PHE A 42 92.167 20.709 3.936 1.00 0.00 ATOM 293 N ASN A 43 93.327 21.176 3.435 1.00 0.00 ATOM 294 CA ASN A 43 93.296 22.090 2.312 1.00 0.00 ATOM 295 CB ASN A 43 94.129 23.337 2.613 1.00 0.00 ATOM 296 CG ASN A 43 93.597 24.121 3.797 1.00 0.00 ATOM 297 ND2 ASN A 43 94.397 24.212 4.853 1.00 0.00 ATOM 298 OD1 ASN A 43 92.481 24.639 3.759 1.00 0.00 ATOM 299 O ASN A 43 94.993 20.833 1.331 1.00 0.00 ATOM 300 C ASN A 43 93.874 21.312 1.170 1.00 0.00 ATOM 301 N PRO A 44 93.230 21.098 0.030 1.00 0.00 ATOM 302 CA PRO A 44 93.646 20.035 -0.867 1.00 0.00 ATOM 303 CB PRO A 44 92.429 19.814 -1.768 1.00 0.00 ATOM 304 CG PRO A 44 91.739 21.136 -1.795 1.00 0.00 ATOM 305 CD PRO A 44 91.942 21.740 -0.434 1.00 0.00 ATOM 306 O PRO A 44 95.553 19.604 -2.124 1.00 0.00 ATOM 307 C PRO A 44 94.852 20.480 -1.643 1.00 0.00 ATOM 308 N GLU A 45 95.109 21.793 -1.803 1.00 0.00 ATOM 309 CA GLU A 45 96.216 22.261 -2.582 1.00 0.00 ATOM 310 CB GLU A 45 96.159 23.782 -2.734 1.00 0.00 ATOM 311 CG GLU A 45 95.029 24.276 -3.622 1.00 0.00 ATOM 312 CD GLU A 45 94.916 25.788 -3.635 1.00 0.00 ATOM 313 OE1 GLU A 45 95.676 26.447 -2.895 1.00 0.00 ATOM 314 OE2 GLU A 45 94.067 26.314 -4.385 1.00 0.00 ATOM 315 O GLU A 45 98.389 21.308 -2.460 1.00 0.00 ATOM 316 C GLU A 45 97.468 21.868 -1.871 1.00 0.00 ATOM 317 N PHE A 46 97.511 22.129 -0.562 1.00 0.00 ATOM 318 CA PHE A 46 98.698 21.910 0.201 1.00 0.00 ATOM 319 CB PHE A 46 98.539 22.476 1.614 1.00 0.00 ATOM 320 CG PHE A 46 98.670 23.971 1.686 1.00 0.00 ATOM 321 CD1 PHE A 46 97.547 24.775 1.771 1.00 0.00 ATOM 322 CD2 PHE A 46 99.916 24.572 1.669 1.00 0.00 ATOM 323 CE1 PHE A 46 97.668 26.150 1.838 1.00 0.00 ATOM 324 CE2 PHE A 46 100.037 25.947 1.735 1.00 0.00 ATOM 325 CZ PHE A 46 98.919 26.736 1.819 1.00 0.00 ATOM 326 O PHE A 46 100.107 20.013 0.268 1.00 0.00 ATOM 327 C PHE A 46 98.957 20.446 0.287 1.00 0.00 ATOM 328 N LEU A 47 97.898 19.635 0.397 1.00 0.00 ATOM 329 CA LEU A 47 98.113 18.234 0.474 1.00 0.00 ATOM 330 CB LEU A 47 96.805 17.508 0.797 1.00 0.00 ATOM 331 CG LEU A 47 96.237 17.726 2.200 1.00 0.00 ATOM 332 CD1 LEU A 47 94.857 17.099 2.326 1.00 0.00 ATOM 333 CD2 LEU A 47 97.142 17.098 3.250 1.00 0.00 ATOM 334 O LEU A 47 99.585 16.955 -0.789 1.00 0.00 ATOM 335 C LEU A 47 98.626 17.716 -0.802 1.00 0.00 ATOM 336 N LEU A 48 98.046 18.149 -1.929 1.00 0.00 ATOM 337 CA LEU A 48 98.516 17.760 -3.226 1.00 0.00 ATOM 338 CB LEU A 48 97.758 18.516 -4.319 1.00 0.00 ATOM 339 CG LEU A 48 96.278 18.164 -4.485 1.00 0.00 ATOM 340 CD1 LEU A 48 95.618 19.083 -5.501 1.00 0.00 ATOM 341 CD2 LEU A 48 96.117 16.730 -4.966 1.00 0.00 ATOM 342 O LEU A 48 100.704 17.303 -4.014 1.00 0.00 ATOM 343 C LEU A 48 99.978 18.061 -3.371 1.00 0.00 ATOM 344 N ASN A 49 100.449 19.158 -2.756 1.00 0.00 ATOM 345 CA ASN A 49 101.821 19.564 -2.824 1.00 0.00 ATOM 346 CB ASN A 49 101.992 20.972 -2.251 1.00 0.00 ATOM 347 CG ASN A 49 101.435 22.045 -3.166 1.00 0.00 ATOM 348 ND2 ASN A 49 101.144 23.211 -2.601 1.00 0.00 ATOM 349 OD1 ASN A 49 101.270 21.826 -4.367 1.00 0.00 ATOM 350 O ASN A 49 103.857 18.401 -2.488 1.00 0.00 ATOM 351 C ASN A 49 102.737 18.653 -2.050 1.00 0.00 ATOM 352 N ILE A 50 102.322 18.137 -0.874 1.00 0.00 ATOM 353 CA ILE A 50 103.160 17.264 -0.079 1.00 0.00 ATOM 354 CB ILE A 50 102.570 17.042 1.326 1.00 0.00 ATOM 355 CG1 ILE A 50 102.624 18.337 2.138 1.00 0.00 ATOM 356 CG2 ILE A 50 103.357 15.973 2.071 1.00 0.00 ATOM 357 CD1 ILE A 50 101.835 18.282 3.428 1.00 0.00 ATOM 358 O ILE A 50 104.261 15.237 -0.721 1.00 0.00 ATOM 359 C ILE A 50 103.255 15.941 -0.797 1.00 0.00 ATOM 360 N VAL A 51 102.193 15.557 -1.516 1.00 0.00 ATOM 361 CA VAL A 51 102.182 14.356 -2.294 1.00 0.00 ATOM 362 CB VAL A 51 100.810 14.123 -2.953 1.00 0.00 ATOM 363 CG1 VAL A 51 100.878 12.958 -3.929 1.00 0.00 ATOM 364 CG2 VAL A 51 99.760 13.807 -1.899 1.00 0.00 ATOM 365 O VAL A 51 103.901 13.494 -3.715 1.00 0.00 ATOM 366 C VAL A 51 103.232 14.467 -3.380 1.00 0.00 ATOM 367 N ASP A 52 103.402 15.664 -3.968 1.00 0.00 ATOM 368 CA ASP A 52 104.312 15.943 -5.062 1.00 0.00 ATOM 369 CB ASP A 52 104.179 17.399 -5.511 1.00 0.00 ATOM 370 CG ASP A 52 102.894 17.659 -6.273 1.00 0.00 ATOM 371 OD1 ASP A 52 102.222 16.678 -6.656 1.00 0.00 ATOM 372 OD2 ASP A 52 102.560 18.843 -6.488 1.00 0.00 ATOM 373 O ASP A 52 106.598 15.366 -5.460 1.00 0.00 ATOM 374 C ASP A 52 105.746 15.705 -4.641 1.00 0.00 ATOM 375 N ARG A 53 106.061 15.826 -3.336 1.00 0.00 ATOM 376 CA ARG A 53 107.432 15.717 -2.909 1.00 0.00 ATOM 377 CB ARG A 53 107.697 16.640 -1.718 1.00 0.00 ATOM 378 CG ARG A 53 107.555 18.120 -2.036 1.00 0.00 ATOM 379 CD ARG A 53 107.815 18.976 -0.808 1.00 0.00 ATOM 380 NE ARG A 53 107.663 20.401 -1.092 1.00 0.00 ATOM 381 CZ ARG A 53 107.612 21.348 -0.160 1.00 0.00 ATOM 382 NH1 ARG A 53 107.472 22.618 -0.513 1.00 0.00 ATOM 383 NH2 ARG A 53 107.699 21.021 1.122 1.00 0.00 ATOM 384 O ARG A 53 109.039 14.062 -2.465 1.00 0.00 ATOM 385 C ARG A 53 107.836 14.321 -2.471 1.00 0.00 ATOM 386 N VAL A 54 106.892 13.423 -2.050 1.00 0.00 ATOM 387 CA VAL A 54 107.143 12.166 -1.338 1.00 0.00 ATOM 388 CB VAL A 54 107.361 12.404 0.168 1.00 0.00 ATOM 389 CG1 VAL A 54 106.072 12.873 0.825 1.00 0.00 ATOM 390 CG2 VAL A 54 107.810 11.121 0.850 1.00 0.00 ATOM 391 O VAL A 54 104.891 12.078 -1.860 1.00 0.00 ATOM 392 C VAL A 54 105.884 11.414 -1.626 1.00 0.00 ATOM 393 N ASP A 55 105.826 10.070 -1.551 1.00 0.00 ATOM 394 CA ASP A 55 104.512 9.491 -1.754 1.00 0.00 ATOM 395 CB ASP A 55 104.486 8.657 -3.037 1.00 0.00 ATOM 396 CG ASP A 55 103.125 8.048 -3.308 1.00 0.00 ATOM 397 OD1 ASP A 55 102.145 8.814 -3.430 1.00 0.00 ATOM 398 OD2 ASP A 55 103.037 6.806 -3.400 1.00 0.00 ATOM 399 O ASP A 55 105.105 7.843 -0.649 1.00 0.00 ATOM 400 C ASP A 55 104.281 8.661 -0.583 1.00 0.00 ATOM 401 N TRP A 56 103.398 8.686 0.455 1.00 0.00 ATOM 402 CA TRP A 56 103.101 7.465 1.258 1.00 0.00 ATOM 403 CB TRP A 56 104.284 6.495 1.216 1.00 0.00 ATOM 404 CG TRP A 56 104.520 5.896 -0.136 1.00 0.00 ATOM 405 CD1 TRP A 56 105.458 6.279 -1.050 1.00 0.00 ATOM 406 CD2 TRP A 56 103.805 4.804 -0.727 1.00 0.00 ATOM 407 CE2 TRP A 56 104.365 4.580 -2.001 1.00 0.00 ATOM 408 CE3 TRP A 56 102.747 3.993 -0.305 1.00 0.00 ATOM 409 NE1 TRP A 56 105.373 5.495 -2.175 1.00 0.00 ATOM 410 CZ2 TRP A 56 103.902 3.581 -2.856 1.00 0.00 ATOM 411 CZ3 TRP A 56 102.292 3.003 -1.155 1.00 0.00 ATOM 412 CH2 TRP A 56 102.866 2.803 -2.416 1.00 0.00 ATOM 413 O TRP A 56 102.145 8.847 2.938 1.00 0.00 ATOM 414 C TRP A 56 102.825 7.865 2.762 1.00 0.00 ATOM 415 N PRO A 57 103.220 7.362 3.891 1.00 0.00 ATOM 416 CA PRO A 57 102.668 6.142 4.434 1.00 0.00 ATOM 417 CB PRO A 57 103.887 5.237 4.626 1.00 0.00 ATOM 418 CG PRO A 57 105.020 6.181 4.857 1.00 0.00 ATOM 419 CD PRO A 57 104.718 7.403 4.035 1.00 0.00 ATOM 420 O PRO A 57 102.452 6.997 6.607 1.00 0.00 ATOM 421 C PRO A 57 101.973 6.325 5.697 1.00 0.00 ATOM 422 N ALA A 58 100.908 5.557 5.819 1.00 0.00 ATOM 423 CA ALA A 58 100.395 5.467 7.107 1.00 0.00 ATOM 424 CB ALA A 58 99.443 6.621 7.380 1.00 0.00 ATOM 425 O ALA A 58 98.793 4.259 8.078 1.00 0.00 ATOM 426 C ALA A 58 99.673 4.227 7.279 1.00 0.00 ATOM 427 N VAL A 59 99.965 3.118 6.613 1.00 0.00 ATOM 428 CA VAL A 59 99.225 1.887 6.797 1.00 0.00 ATOM 429 CB VAL A 59 99.999 0.675 6.246 1.00 0.00 ATOM 430 CG1 VAL A 59 99.250 -0.615 6.541 1.00 0.00 ATOM 431 CG2 VAL A 59 100.176 0.795 4.740 1.00 0.00 ATOM 432 O VAL A 59 97.784 1.664 8.698 1.00 0.00 ATOM 433 C VAL A 59 98.932 1.591 8.262 1.00 0.00 ATOM 434 N LEU A 60 91.784 -0.620 6.590 1.00 0.00 ATOM 435 CA LEU A 60 90.769 -1.267 7.333 1.00 0.00 ATOM 436 CB LEU A 60 90.505 -2.666 6.774 1.00 0.00 ATOM 437 CG LEU A 60 89.858 -2.732 5.389 1.00 0.00 ATOM 438 CD1 LEU A 60 89.806 -4.166 4.886 1.00 0.00 ATOM 439 CD2 LEU A 60 88.437 -2.192 5.433 1.00 0.00 ATOM 440 O LEU A 60 90.369 -1.344 9.632 1.00 0.00 ATOM 441 C LEU A 60 91.220 -1.373 8.746 1.00 0.00 ATOM 442 N THR A 61 92.542 -1.480 8.996 1.00 0.00 ATOM 443 CA THR A 61 93.045 -1.602 10.327 1.00 0.00 ATOM 444 CB THR A 61 94.541 -1.968 10.334 1.00 0.00 ATOM 445 CG2 THR A 61 95.062 -2.054 11.760 1.00 0.00 ATOM 446 OG1 THR A 61 94.728 -3.237 9.695 1.00 0.00 ATOM 447 O THR A 61 92.388 -0.253 12.144 1.00 0.00 ATOM 448 C THR A 61 92.853 -0.278 11.012 1.00 0.00 ATOM 449 N VAL A 62 93.170 0.856 10.349 1.00 0.00 ATOM 450 CA VAL A 62 92.969 2.154 10.930 1.00 0.00 ATOM 451 CB VAL A 62 93.403 3.276 9.969 1.00 0.00 ATOM 452 CG1 VAL A 62 92.999 4.635 10.519 1.00 0.00 ATOM 453 CG2 VAL A 62 94.912 3.263 9.781 1.00 0.00 ATOM 454 O VAL A 62 91.148 2.892 12.285 1.00 0.00 ATOM 455 C VAL A 62 91.502 2.331 11.249 1.00 0.00 ATOM 456 N ALA A 63 90.598 1.840 10.376 1.00 0.00 ATOM 457 CA ALA A 63 89.185 2.014 10.580 1.00 0.00 ATOM 458 CB ALA A 63 88.417 1.636 9.323 1.00 0.00 ATOM 459 O ALA A 63 87.699 1.459 12.339 1.00 0.00 ATOM 460 C ALA A 63 88.706 1.147 11.709 1.00 0.00 ATOM 461 N ALA A 64 89.405 0.036 11.984 1.00 0.00 ATOM 462 CA ALA A 64 89.001 -0.903 12.987 1.00 0.00 ATOM 463 CB ALA A 64 89.779 -2.202 12.842 1.00 0.00 ATOM 464 O ALA A 64 88.404 -0.277 15.176 1.00 0.00 ATOM 465 C ALA A 64 89.265 -0.320 14.295 1.00 0.00 ATOM 466 N GLU A 65 90.518 0.102 14.425 1.00 0.00 ATOM 467 CA GLU A 65 91.043 0.554 15.644 1.00 0.00 ATOM 468 CB GLU A 65 92.521 0.918 15.489 1.00 0.00 ATOM 469 CG GLU A 65 93.438 -0.279 15.296 1.00 0.00 ATOM 470 CD GLU A 65 94.879 0.124 15.052 1.00 0.00 ATOM 471 OE1 GLU A 65 95.148 1.341 14.964 1.00 0.00 ATOM 472 OE2 GLU A 65 95.738 -0.776 14.949 1.00 0.00 ATOM 473 O GLU A 65 90.022 1.954 17.236 1.00 0.00 ATOM 474 C GLU A 65 90.260 1.760 16.049 1.00 0.00 ATOM 475 N LEU A 66 89.774 2.571 15.084 1.00 0.00 ATOM 476 CA LEU A 66 89.013 3.740 15.421 1.00 0.00 ATOM 477 CB LEU A 66 88.994 4.723 14.249 1.00 0.00 ATOM 478 CG LEU A 66 90.342 5.328 13.850 1.00 0.00 ATOM 479 CD1 LEU A 66 90.193 6.206 12.617 1.00 0.00 ATOM 480 CD2 LEU A 66 90.903 6.182 14.977 1.00 0.00 ATOM 481 O LEU A 66 86.913 4.205 16.463 1.00 0.00 ATOM 482 C LEU A 66 87.556 3.422 15.768 1.00 0.00 ATOM 483 N GLY A 67 87.000 2.264 15.344 1.00 0.00 ATOM 484 CA GLY A 67 85.726 1.790 15.868 1.00 0.00 ATOM 485 O GLY A 67 83.467 1.736 15.114 1.00 0.00 ATOM 486 C GLY A 67 84.661 1.660 14.814 1.00 0.00 ATOM 487 N ASN A 68 85.070 1.454 13.547 1.00 0.00 ATOM 488 CA ASN A 68 84.155 1.450 12.438 1.00 0.00 ATOM 489 CB ASN A 68 84.641 2.397 11.339 1.00 0.00 ATOM 490 CG ASN A 68 84.663 3.845 11.785 1.00 0.00 ATOM 491 ND2 ASN A 68 85.553 4.633 11.191 1.00 0.00 ATOM 492 OD1 ASN A 68 83.890 4.249 12.653 1.00 0.00 ATOM 493 O ASN A 68 82.996 -0.441 11.594 1.00 0.00 ATOM 494 C ASN A 68 84.081 0.049 11.904 1.00 0.00 ATOM 495 N ASN A 69 85.241 -0.625 11.770 1.00 0.00 ATOM 496 CA ASN A 69 85.333 -1.875 11.054 1.00 0.00 ATOM 497 CB ASN A 69 86.444 -1.811 10.005 1.00 0.00 ATOM 498 CG ASN A 69 86.549 -3.084 9.188 1.00 0.00 ATOM 499 ND2 ASN A 69 87.183 -2.989 8.025 1.00 0.00 ATOM 500 OD1 ASN A 69 86.066 -4.139 9.601 1.00 0.00 ATOM 501 O ASN A 69 86.622 -2.840 12.800 1.00 0.00 ATOM 502 C ASN A 69 85.638 -2.934 12.078 1.00 0.00 ATOM 503 N ALA A 70 84.787 -3.970 12.200 1.00 0.00 ATOM 504 CA ALA A 70 84.926 -4.950 13.247 1.00 0.00 ATOM 505 CB ALA A 70 83.713 -5.867 13.279 1.00 0.00 ATOM 506 O ALA A 70 86.867 -6.086 14.010 1.00 0.00 ATOM 507 C ALA A 70 86.148 -5.809 13.050 1.00 0.00 ATOM 508 N LEU A 71 86.395 -6.254 11.804 1.00 0.00 ATOM 509 CA LEU A 71 87.412 -7.214 11.485 1.00 0.00 ATOM 510 CB LEU A 71 86.781 -8.529 11.022 1.00 0.00 ATOM 511 CG LEU A 71 85.904 -9.257 12.042 1.00 0.00 ATOM 512 CD1 LEU A 71 85.197 -10.438 11.397 1.00 0.00 ATOM 513 CD2 LEU A 71 86.744 -9.778 13.198 1.00 0.00 ATOM 514 O LEU A 71 87.643 -6.276 9.323 1.00 0.00 ATOM 515 C LEU A 71 88.195 -6.538 10.378 1.00 0.00 ATOM 516 N PRO A 72 89.433 -6.167 10.460 1.00 0.00 ATOM 517 CA PRO A 72 90.087 -5.533 9.318 1.00 0.00 ATOM 518 CB PRO A 72 91.198 -4.691 9.948 1.00 0.00 ATOM 519 CG PRO A 72 91.700 -5.523 11.081 1.00 0.00 ATOM 520 CD PRO A 72 90.499 -6.227 11.645 1.00 0.00 ATOM 521 O PRO A 72 91.637 -6.007 7.643 1.00 0.00 ATOM 522 C PRO A 72 90.697 -6.481 8.283 1.00 0.00 ATOM 523 N PRO A 73 90.295 -7.731 8.050 1.00 0.00 ATOM 524 CA PRO A 73 90.861 -8.418 6.879 1.00 0.00 ATOM 525 CB PRO A 73 90.608 -9.900 7.161 1.00 0.00 ATOM 526 CG PRO A 73 89.350 -9.918 7.964 1.00 0.00 ATOM 527 CD PRO A 73 89.408 -8.709 8.855 1.00 0.00 ATOM 528 O PRO A 73 89.183 -7.679 5.326 1.00 0.00 ATOM 529 C PRO A 73 90.322 -8.119 5.506 1.00 0.00 ATOM 530 N THR A 74 91.165 -8.439 4.511 1.00 0.00 ATOM 531 CA THR A 74 90.815 -8.389 3.133 1.00 0.00 ATOM 532 CB THR A 74 91.919 -7.719 2.294 1.00 0.00 ATOM 533 CG2 THR A 74 92.230 -6.331 2.833 1.00 0.00 ATOM 534 OG1 THR A 74 93.111 -8.514 2.345 1.00 0.00 ATOM 535 O THR A 74 90.952 -10.736 3.582 1.00 0.00 ATOM 536 C THR A 74 90.647 -9.846 2.785 1.00 0.00 ATOM 537 N LYS A 75 90.153 -10.131 1.572 1.00 0.00 ATOM 538 CA LYS A 75 89.831 -11.484 1.246 1.00 0.00 ATOM 539 CB LYS A 75 88.723 -11.532 0.192 1.00 0.00 ATOM 540 CG LYS A 75 87.382 -11.006 0.678 1.00 0.00 ATOM 541 CD LYS A 75 86.346 -11.023 -0.435 1.00 0.00 ATOM 542 CE LYS A 75 84.994 -10.538 0.061 1.00 0.00 ATOM 543 NZ LYS A 75 83.967 -10.557 -1.017 1.00 0.00 ATOM 544 O LYS A 75 91.849 -11.473 0.026 1.00 0.00 ATOM 545 C LYS A 75 91.075 -12.153 0.702 1.00 0.00 ATOM 546 N PRO A 76 91.275 -13.458 0.891 1.00 0.00 ATOM 547 CA PRO A 76 92.414 -14.105 0.256 1.00 0.00 ATOM 548 CB PRO A 76 92.297 -15.568 0.688 1.00 0.00 ATOM 549 CG PRO A 76 91.527 -15.520 1.965 1.00 0.00 ATOM 550 CD PRO A 76 90.513 -14.423 1.799 1.00 0.00 ATOM 551 O PRO A 76 91.273 -13.995 -1.805 1.00 0.00 ATOM 552 C PRO A 76 92.372 -13.980 -1.236 1.00 0.00 ATOM 553 N SER A 77 93.548 -13.804 -1.895 1.00 0.00 ATOM 554 CA SER A 77 94.860 -14.131 -1.401 1.00 0.00 ATOM 555 CB SER A 77 95.803 -14.460 -2.560 1.00 0.00 ATOM 556 OG SER A 77 96.024 -13.323 -3.376 1.00 0.00 ATOM 557 O SER A 77 96.697 -13.207 -0.213 1.00 0.00 ATOM 558 C SER A 77 95.547 -13.031 -0.604 1.00 0.00 ATOM 559 N PHE A 78 94.895 -11.891 -0.316 1.00 0.00 ATOM 560 CA PHE A 78 95.557 -10.878 0.469 1.00 0.00 ATOM 561 CB PHE A 78 94.693 -9.618 0.556 1.00 0.00 ATOM 562 CG PHE A 78 94.619 -8.844 -0.729 1.00 0.00 ATOM 563 CD1 PHE A 78 93.506 -8.938 -1.547 1.00 0.00 ATOM 564 CD2 PHE A 78 95.661 -8.022 -1.120 1.00 0.00 ATOM 565 CE1 PHE A 78 93.438 -8.226 -2.729 1.00 0.00 ATOM 566 CE2 PHE A 78 95.593 -7.309 -2.302 1.00 0.00 ATOM 567 CZ PHE A 78 94.487 -7.409 -3.105 1.00 0.00 ATOM 568 O PHE A 78 94.919 -12.084 2.397 1.00 0.00 ATOM 569 C PHE A 78 95.810 -11.400 1.885 1.00 0.00 ATOM 570 N PRO A 79 96.945 -11.149 2.562 1.00 0.00 ATOM 571 CA PRO A 79 97.192 -11.749 3.869 1.00 0.00 ATOM 572 CB PRO A 79 98.659 -12.179 3.808 1.00 0.00 ATOM 573 CG PRO A 79 99.333 -11.098 3.031 1.00 0.00 ATOM 574 CD PRO A 79 98.358 -10.680 1.966 1.00 0.00 ATOM 575 O PRO A 79 96.586 -9.543 4.454 1.00 0.00 ATOM 576 C PRO A 79 96.920 -10.654 4.864 1.00 0.00 ATOM 577 N SER A 80 97.063 -10.947 6.170 1.00 0.00 ATOM 578 CA SER A 80 96.723 -10.012 7.209 1.00 0.00 ATOM 579 CB SER A 80 96.338 -10.753 8.491 1.00 0.00 ATOM 580 OG SER A 80 95.939 -9.845 9.504 1.00 0.00 ATOM 581 O SER A 80 98.801 -8.978 6.571 1.00 0.00 ATOM 582 C SER A 80 97.971 -9.124 7.464 1.00 0.00 ATOM 583 N SER A 81 98.201 -8.555 8.679 1.00 0.00 ATOM 584 CA SER A 81 99.426 -7.817 9.049 1.00 0.00 ATOM 585 CB SER A 81 99.115 -6.760 10.110 1.00 0.00 ATOM 586 OG SER A 81 100.299 -6.125 10.561 1.00 0.00 ATOM 587 O SER A 81 99.922 -9.490 10.436 1.00 0.00 ATOM 588 C SER A 81 100.428 -8.806 9.599 1.00 0.00 ATOM 589 N ILE A 82 101.735 -9.032 9.356 1.00 0.00 ATOM 590 CA ILE A 82 102.268 -10.385 9.681 1.00 0.00 ATOM 591 CB ILE A 82 101.132 -11.402 9.897 1.00 0.00 ATOM 592 CG1 ILE A 82 100.312 -11.031 11.134 1.00 0.00 ATOM 593 CG2 ILE A 82 101.699 -12.800 10.095 1.00 0.00 ATOM 594 CD1 ILE A 82 99.043 -11.840 11.291 1.00 0.00 ATOM 595 O ILE A 82 102.550 -10.562 7.364 1.00 0.00 ATOM 596 C ILE A 82 103.069 -10.672 8.473 1.00 0.00 ATOM 597 N GLN A 83 104.356 -11.016 8.631 1.00 0.00 ATOM 598 CA GLN A 83 105.175 -11.250 7.496 1.00 0.00 ATOM 599 CB GLN A 83 105.602 -9.925 6.861 1.00 0.00 ATOM 600 CG GLN A 83 106.434 -10.081 5.598 1.00 0.00 ATOM 601 CD GLN A 83 106.705 -8.757 4.912 1.00 0.00 ATOM 602 OE1 GLN A 83 106.290 -7.702 5.391 1.00 0.00 ATOM 603 NE2 GLN A 83 107.404 -8.809 3.784 1.00 0.00 ATOM 604 O GLN A 83 106.838 -11.568 9.126 1.00 0.00 ATOM 605 C GLN A 83 106.306 -11.994 8.107 1.00 0.00 ATOM 606 N GLU A 84 106.652 -13.155 7.517 1.00 0.00 ATOM 607 CA GLU A 84 107.797 -13.922 7.909 1.00 0.00 ATOM 608 CB GLU A 84 109.078 -13.107 7.721 1.00 0.00 ATOM 609 CG GLU A 84 109.353 -12.705 6.281 1.00 0.00 ATOM 610 CD GLU A 84 110.644 -11.925 6.131 1.00 0.00 ATOM 611 OE1 GLU A 84 111.293 -11.645 7.161 1.00 0.00 ATOM 612 OE2 GLU A 84 111.007 -11.593 4.983 1.00 0.00 ATOM 613 O GLU A 84 108.569 -14.208 10.124 1.00 0.00 ATOM 614 C GLU A 84 107.633 -14.287 9.361 1.00 0.00 ATOM 615 N LEU A 85 106.444 -14.665 9.864 1.00 0.00 ATOM 616 CA LEU A 85 106.380 -15.113 11.242 1.00 0.00 ATOM 617 CB LEU A 85 107.577 -16.007 11.571 1.00 0.00 ATOM 618 CG LEU A 85 107.699 -17.301 10.765 1.00 0.00 ATOM 619 CD1 LEU A 85 108.978 -18.041 11.125 1.00 0.00 ATOM 620 CD2 LEU A 85 106.521 -18.222 11.046 1.00 0.00 ATOM 621 O LEU A 85 106.138 -14.140 13.395 1.00 0.00 ATOM 622 C LEU A 85 106.392 -13.929 12.221 1.00 0.00 ATOM 623 N THR A 86 106.641 -12.651 11.861 1.00 0.00 ATOM 624 CA THR A 86 106.623 -11.606 12.865 1.00 0.00 ATOM 625 CB THR A 86 107.931 -10.794 12.858 1.00 0.00 ATOM 626 CG2 THR A 86 109.130 -11.713 13.042 1.00 0.00 ATOM 627 OG1 THR A 86 108.063 -10.105 11.608 1.00 0.00 ATOM 628 O THR A 86 104.963 -10.877 11.377 1.00 0.00 ATOM 629 C THR A 86 105.448 -10.741 12.488 1.00 0.00 ATOM 630 N ASP A 87 104.986 -9.822 13.363 1.00 0.00 ATOM 631 CA ASP A 87 103.816 -8.963 13.165 1.00 0.00 ATOM 632 CB ASP A 87 102.733 -9.287 14.196 1.00 0.00 ATOM 633 CG ASP A 87 102.087 -10.638 13.958 1.00 0.00 ATOM 634 OD1 ASP A 87 102.355 -11.246 12.900 1.00 0.00 ATOM 635 OD2 ASP A 87 101.314 -11.089 14.829 1.00 0.00 ATOM 636 O ASP A 87 105.419 -7.625 14.078 1.00 0.00 ATOM 637 C ASP A 87 104.432 -7.600 13.357 1.00 0.00 ATOM 638 N ASP A 88 103.970 -6.401 12.887 1.00 0.00 ATOM 639 CA ASP A 88 104.882 -5.293 13.248 1.00 0.00 ATOM 640 CB ASP A 88 106.171 -5.371 12.428 1.00 0.00 ATOM 641 CG ASP A 88 107.291 -4.540 13.022 1.00 0.00 ATOM 642 OD1 ASP A 88 107.062 -3.895 14.066 1.00 0.00 ATOM 643 OD2 ASP A 88 108.398 -4.533 12.443 1.00 0.00 ATOM 644 O ASP A 88 105.038 -2.969 13.665 1.00 0.00 ATOM 645 C ASP A 88 104.452 -3.880 13.070 1.00 0.00 ATOM 646 N ASP A 89 103.431 -3.651 12.248 1.00 0.00 ATOM 647 CA ASP A 89 103.075 -2.316 11.915 1.00 0.00 ATOM 648 CB ASP A 89 102.681 -2.219 10.440 1.00 0.00 ATOM 649 CG ASP A 89 103.823 -2.570 9.507 1.00 0.00 ATOM 650 OD1 ASP A 89 104.936 -2.040 9.706 1.00 0.00 ATOM 651 OD2 ASP A 89 103.604 -3.374 8.577 1.00 0.00 ATOM 652 O ASP A 89 101.584 -0.600 12.528 1.00 0.00 ATOM 653 C ASP A 89 101.935 -1.769 12.684 1.00 0.00 ATOM 654 N MET A 90 101.324 -2.598 13.542 1.00 0.00 ATOM 655 CA MET A 90 100.134 -2.226 14.243 1.00 0.00 ATOM 656 CB MET A 90 99.641 -3.384 15.113 1.00 0.00 ATOM 657 CG MET A 90 99.116 -4.573 14.326 1.00 0.00 ATOM 658 SD MET A 90 97.711 -4.149 13.279 1.00 0.00 ATOM 659 CE MET A 90 96.457 -3.817 14.514 1.00 0.00 ATOM 660 O MET A 90 99.383 -0.309 15.376 1.00 0.00 ATOM 661 C MET A 90 100.330 -1.048 15.147 1.00 0.00 ATOM 662 N ALA A 91 101.546 -0.821 15.663 1.00 0.00 ATOM 663 CA ALA A 91 101.814 0.302 16.519 1.00 0.00 ATOM 664 CB ALA A 91 103.256 0.269 17.001 1.00 0.00 ATOM 665 O ALA A 91 100.849 2.456 16.217 1.00 0.00 ATOM 666 C ALA A 91 101.581 1.585 15.760 1.00 0.00 ATOM 667 N ILE A 92 102.172 1.708 14.561 1.00 0.00 ATOM 668 CA ILE A 92 102.083 2.888 13.750 1.00 0.00 ATOM 669 CB ILE A 92 102.965 2.776 12.492 1.00 0.00 ATOM 670 CG1 ILE A 92 104.445 2.767 12.878 1.00 0.00 ATOM 671 CG2 ILE A 92 102.716 3.953 11.561 1.00 0.00 ATOM 672 CD1 ILE A 92 105.371 2.398 11.739 1.00 0.00 ATOM 673 O ILE A 92 100.178 4.197 13.308 1.00 0.00 ATOM 674 C ILE A 92 100.656 3.072 13.328 1.00 0.00 ATOM 675 N LEU A 93 99.929 1.997 12.986 1.00 0.00 ATOM 676 CA LEU A 93 98.591 2.139 12.472 1.00 0.00 ATOM 677 CB LEU A 93 98.090 0.808 11.908 1.00 0.00 ATOM 678 CG LEU A 93 98.787 0.302 10.643 1.00 0.00 ATOM 679 CD1 LEU A 93 98.300 -1.093 10.282 1.00 0.00 ATOM 680 CD2 LEU A 93 98.502 1.224 9.467 1.00 0.00 ATOM 681 O LEU A 93 96.766 3.345 13.399 1.00 0.00 ATOM 682 C LEU A 93 97.709 2.575 13.601 1.00 0.00 ATOM 683 N ASN A 94 98.056 2.103 14.816 1.00 0.00 ATOM 684 CA ASN A 94 97.415 2.475 16.033 1.00 0.00 ATOM 685 CB ASN A 94 98.007 1.697 17.210 1.00 0.00 ATOM 686 CG ASN A 94 97.296 1.988 18.517 1.00 0.00 ATOM 687 ND2 ASN A 94 98.021 2.568 19.466 1.00 0.00 ATOM 688 OD1 ASN A 94 96.111 1.694 18.669 1.00 0.00 ATOM 689 O ASN A 94 96.772 4.827 16.575 1.00 0.00 ATOM 690 C ASN A 94 97.622 3.986 16.269 1.00 0.00 ATOM 691 N ASP A 95 98.838 4.446 16.145 1.00 0.00 ATOM 692 CA ASP A 95 99.040 5.823 16.453 1.00 0.00 ATOM 693 CB ASP A 95 100.532 6.162 16.441 1.00 0.00 ATOM 694 CG ASP A 95 101.267 5.602 17.643 1.00 0.00 ATOM 695 OD1 ASP A 95 100.593 5.167 18.601 1.00 0.00 ATOM 696 OD2 ASP A 95 102.515 5.597 17.627 1.00 0.00 ATOM 697 O ASP A 95 97.773 7.737 15.790 1.00 0.00 ATOM 698 C ASP A 95 98.347 6.704 15.445 1.00 0.00 ATOM 699 N LEU A 96 98.313 6.270 14.179 1.00 0.00 ATOM 700 CA LEU A 96 97.684 7.017 13.133 1.00 0.00 ATOM 701 CB LEU A 96 97.852 6.304 11.790 1.00 0.00 ATOM 702 CG LEU A 96 97.241 7.000 10.572 1.00 0.00 ATOM 703 CD1 LEU A 96 97.880 8.363 10.355 1.00 0.00 ATOM 704 CD2 LEU A 96 97.454 6.169 9.315 1.00 0.00 ATOM 705 O LEU A 96 95.697 8.279 13.172 1.00 0.00 ATOM 706 C LEU A 96 96.215 7.185 13.386 1.00 0.00 ATOM 707 N HIS A 97 95.510 6.135 13.863 1.00 0.00 ATOM 708 CA HIS A 97 94.087 6.227 14.092 1.00 0.00 ATOM 709 CB HIS A 97 93.526 4.872 14.527 1.00 0.00 ATOM 710 CG HIS A 97 93.438 3.870 13.419 1.00 0.00 ATOM 711 CD2 HIS A 97 92.397 3.421 12.505 1.00 0.00 ATOM 712 ND1 HIS A 97 94.507 3.093 13.031 1.00 0.00 ATOM 713 CE1 HIS A 97 94.124 2.295 12.018 1.00 0.00 ATOM 714 NE2 HIS A 97 92.859 2.486 11.698 1.00 0.00 ATOM 715 O HIS A 97 92.852 7.992 15.060 1.00 0.00 ATOM 716 C HIS A 97 93.818 7.233 15.168 1.00 0.00 ATOM 717 N THR A 98 94.667 7.265 16.220 1.00 0.00 ATOM 718 CA THR A 98 94.551 8.204 17.290 1.00 0.00 ATOM 719 CB THR A 98 95.641 7.984 18.355 1.00 0.00 ATOM 720 CG2 THR A 98 95.523 9.021 19.461 1.00 0.00 ATOM 721 OG1 THR A 98 95.498 6.677 18.926 1.00 0.00 ATOM 722 O THR A 98 93.829 10.416 16.958 1.00 0.00 ATOM 723 C THR A 98 94.693 9.577 16.718 1.00 0.00 ATOM 724 N LEU A 99 95.765 9.825 15.943 1.00 0.00 ATOM 725 CA LEU A 99 96.069 11.116 15.404 1.00 0.00 ATOM 726 CB LEU A 99 97.284 11.037 14.478 1.00 0.00 ATOM 727 CG LEU A 99 98.634 10.779 15.150 1.00 0.00 ATOM 728 CD1 LEU A 99 99.715 10.534 14.109 1.00 0.00 ATOM 729 CD2 LEU A 99 99.050 11.972 15.997 1.00 0.00 ATOM 730 O LEU A 99 94.455 12.746 14.811 1.00 0.00 ATOM 731 C LEU A 99 94.886 11.609 14.626 1.00 0.00 ATOM 732 N LEU A 100 94.321 10.771 13.742 1.00 0.00 ATOM 733 CA LEU A 100 93.272 11.203 12.870 1.00 0.00 ATOM 734 CB LEU A 100 92.906 10.094 11.881 1.00 0.00 ATOM 735 CG LEU A 100 91.892 10.461 10.796 1.00 0.00 ATOM 736 CD1 LEU A 100 92.413 11.605 9.939 1.00 0.00 ATOM 737 CD2 LEU A 100 91.623 9.271 9.888 1.00 0.00 ATOM 738 O LEU A 100 91.334 12.492 13.242 1.00 0.00 ATOM 739 C LEU A 100 92.042 11.562 13.632 1.00 0.00 ATOM 740 N LEU A 101 91.762 10.853 14.734 1.00 0.00 ATOM 741 CA LEU A 101 90.599 11.164 15.497 1.00 0.00 ATOM 742 CB LEU A 101 90.366 10.104 16.575 1.00 0.00 ATOM 743 CG LEU A 101 89.130 10.293 17.457 1.00 0.00 ATOM 744 CD1 LEU A 101 87.863 10.277 16.616 1.00 0.00 ATOM 745 CD2 LEU A 101 89.030 9.181 18.489 1.00 0.00 ATOM 746 O LEU A 101 89.842 13.280 16.275 1.00 0.00 ATOM 747 C LEU A 101 90.789 12.505 16.154 1.00 0.00 ATOM 748 N GLN 102 92.021 12.826 16.578 1.00 0.00 ATOM 749 CA GLN 102 92.247 14.037 17.312 1.00 0.00 ENDMDL