USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 378 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 449 SER OG : rot 130:sc= 0.401 USER MOD Set 1.2: A 465 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 467 GLN : amide:sc= -0.218 X(o=0.18,f=0.15) USER MOD Set 2.1: A 446 SER OG : rot 180:sc= -0.0141 USER MOD Set 2.2: A 447 ASN : amide:sc= -0.815 K(o=-0.83,f=-0.014) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.00561 USER MOD Single : A 445 TYR OH : rot 30:sc= 0 USER MOD Single : A 452 SER OG : rot 140:sc= 0.444 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot -154:sc= 1.29 USER MOD Single : A 457 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 CYS SG : rot -27:sc= 0.00868 USER MOD Single : A 461 LYS NZ :NH3+ -141:sc= 0.0147 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.13) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.84) USER MOD Single : A 477 SER OG : rot -38:sc= 0.00429 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 487 GLN : amide:sc= -0.747! K(o=-0.75!,f=-0.039) USER MOD Single : A 490 MET CE :methyl -169:sc= 0 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 441 13.951 -5.503 -6.359 1.00 0.00 N ATOM 20 CA GLU A 441 14.717 -6.563 -5.708 1.00 0.00 C ATOM 21 C GLU A 441 15.841 -6.004 -4.836 1.00 0.00 C ATOM 22 O GLU A 441 16.245 -6.654 -3.872 1.00 0.00 O ATOM 23 CB GLU A 441 15.290 -7.525 -6.761 1.00 0.00 C ATOM 24 CG GLU A 441 16.458 -6.924 -7.560 1.00 0.00 C ATOM 25 CD GLU A 441 16.982 -7.904 -8.595 1.00 0.00 C ATOM 26 OE1 GLU A 441 16.296 -8.075 -9.629 1.00 0.00 O ATOM 27 OE2 GLU A 441 18.073 -8.475 -8.387 1.00 0.00 O ATOM 0 HA GLU A 441 14.035 -7.107 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 441 15.628 -8.436 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 441 14.497 -7.813 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 441 16.130 -6.010 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 441 17.263 -6.647 -6.879 1.00 0.00 H new ATOM 34 N THR A 442 16.348 -4.811 -5.163 1.00 0.00 N ATOM 35 CA THR A 442 17.429 -4.178 -4.424 1.00 0.00 C ATOM 36 C THR A 442 16.937 -3.512 -3.131 1.00 0.00 C ATOM 37 O THR A 442 17.728 -2.883 -2.431 1.00 0.00 O ATOM 38 CB THR A 442 18.244 -3.245 -5.340 1.00 0.00 C ATOM 39 OG1 THR A 442 17.412 -2.368 -6.057 1.00 0.00 O ATOM 40 CG2 THR A 442 19.030 -4.040 -6.389 1.00 0.00 C ATOM 0 H THR A 442 16.014 -4.260 -5.953 1.00 0.00 H new ATOM 0 HA THR A 442 18.116 -4.955 -4.089 1.00 0.00 H new ATOM 0 HB THR A 442 18.914 -2.694 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 442 17.960 -1.789 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 442 19.594 -3.352 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 442 19.718 -4.721 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 442 18.337 -4.612 -7.006 1.00 0.00 H new ATOM 48 N CYS A 443 15.660 -3.676 -2.782 1.00 0.00 N ATOM 49 CA CYS A 443 15.029 -3.114 -1.607 1.00 0.00 C ATOM 50 C CYS A 443 14.316 -4.232 -0.860 1.00 0.00 C ATOM 51 O CYS A 443 13.397 -4.853 -1.395 1.00 0.00 O ATOM 52 CB CYS A 443 14.028 -2.059 -2.056 1.00 0.00 C ATOM 53 SG CYS A 443 14.727 -0.653 -2.948 1.00 0.00 S ATOM 0 H CYS A 443 15.015 -4.232 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 443 15.766 -2.655 -0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.284 -2.537 -2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.503 -1.685 -1.177 1.00 0.00 H new ATOM 58 N ILE A 444 14.762 -4.514 0.360 1.00 0.00 N ATOM 59 CA ILE A 444 14.201 -5.542 1.221 1.00 0.00 C ATOM 60 C ILE A 444 13.472 -4.762 2.304 1.00 0.00 C ATOM 61 O ILE A 444 14.086 -4.206 3.214 1.00 0.00 O ATOM 62 CB ILE A 444 15.288 -6.490 1.774 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.252 -7.043 0.698 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.610 -7.633 2.550 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.597 -7.842 -0.437 1.00 0.00 C ATOM 0 H ILE A 444 15.545 -4.019 0.786 1.00 0.00 H new ATOM 0 HA ILE A 444 13.525 -6.214 0.692 1.00 0.00 H new ATOM 0 HB ILE A 444 15.919 -5.901 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.797 -6.206 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.987 -7.681 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.371 -8.307 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.030 -7.219 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 444 13.948 -8.184 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.364 -8.181 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 444 15.077 -8.705 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 444 14.884 -7.208 -0.964 1.00 0.00 H new ATOM 77 N TYR A 445 12.156 -4.662 2.180 1.00 0.00 N ATOM 78 CA TYR A 445 11.315 -3.933 3.113 1.00 0.00 C ATOM 79 C TYR A 445 10.628 -4.886 4.089 1.00 0.00 C ATOM 80 O TYR A 445 10.622 -6.104 3.899 1.00 0.00 O ATOM 81 CB TYR A 445 10.237 -3.151 2.353 1.00 0.00 C ATOM 82 CG TYR A 445 10.594 -2.488 1.033 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.772 -3.294 -0.108 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.585 -1.084 0.895 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.920 -2.716 -1.372 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.734 -0.497 -0.375 1.00 0.00 C ATOM 87 CZ TYR A 445 10.879 -1.315 -1.515 1.00 0.00 C ATOM 88 OH TYR A 445 10.937 -0.758 -2.751 1.00 0.00 O ATOM 0 H TYR A 445 11.636 -5.093 1.415 1.00 0.00 H new ATOM 0 HA TYR A 445 11.954 -3.247 3.669 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.409 -3.834 2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.864 -2.374 3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.794 -4.369 -0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.463 -0.458 1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.066 -3.343 -2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.737 0.578 -0.477 1.00 0.00 H new ATOM 0 HH TYR A 445 10.538 -1.370 -3.404 1.00 0.00 H new ATOM 98 N SER A 446 10.046 -4.318 5.137 1.00 0.00 N ATOM 99 CA SER A 446 9.311 -5.034 6.163 1.00 0.00 C ATOM 100 C SER A 446 7.887 -5.265 5.666 1.00 0.00 C ATOM 101 O SER A 446 7.513 -4.840 4.569 1.00 0.00 O ATOM 102 CB SER A 446 9.311 -4.211 7.458 1.00 0.00 C ATOM 103 OG SER A 446 8.857 -4.998 8.540 1.00 0.00 O ATOM 0 H SER A 446 10.076 -3.311 5.299 1.00 0.00 H new ATOM 0 HA SER A 446 9.779 -5.997 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 446 10.317 -3.844 7.663 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.670 -3.337 7.341 1.00 0.00 H new ATOM 0 HG SER A 446 8.863 -4.461 9.360 1.00 0.00 H new ATOM 109 N ASN A 447 7.080 -5.965 6.466 1.00 0.00 N ATOM 110 CA ASN A 447 5.697 -6.252 6.157 1.00 0.00 C ATOM 111 C ASN A 447 4.947 -4.958 5.860 1.00 0.00 C ATOM 112 O ASN A 447 5.296 -3.885 6.360 1.00 0.00 O ATOM 113 CB ASN A 447 5.052 -7.036 7.311 1.00 0.00 C ATOM 114 CG ASN A 447 4.614 -6.172 8.492 1.00 0.00 C ATOM 115 OD1 ASN A 447 3.536 -6.348 9.054 1.00 0.00 O ATOM 116 ND2 ASN A 447 5.456 -5.250 8.910 1.00 0.00 N ATOM 0 H ASN A 447 7.384 -6.350 7.360 1.00 0.00 H new ATOM 0 HA ASN A 447 5.645 -6.875 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 447 4.185 -7.574 6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.760 -7.784 7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 447 5.217 -4.668 9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 447 6.347 -5.118 8.431 1.00 0.00 H new ATOM 123 N TRP A 448 3.981 -5.044 4.959 1.00 0.00 N ATOM 124 CA TRP A 448 3.183 -3.882 4.608 1.00 0.00 C ATOM 125 C TRP A 448 2.273 -3.602 5.788 1.00 0.00 C ATOM 126 O TRP A 448 1.715 -4.548 6.346 1.00 0.00 O ATOM 127 CB TRP A 448 2.372 -4.125 3.339 1.00 0.00 C ATOM 128 CG TRP A 448 3.085 -3.817 2.061 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.498 -4.714 1.134 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.426 -2.500 1.526 1.00 0.00 C ATOM 131 NE1 TRP A 448 4.066 -4.037 0.074 1.00 0.00 N ATOM 132 CE2 TRP A 448 4.045 -2.673 0.254 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.282 -1.176 1.990 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.515 -1.593 -0.509 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.747 -0.086 1.231 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.384 -0.290 -0.001 1.00 0.00 C ATOM 0 H TRP A 448 3.733 -5.899 4.462 1.00 0.00 H new ATOM 0 HA TRP A 448 3.826 -3.027 4.400 1.00 0.00 H new ATOM 0 HB2 TRP A 448 2.060 -5.169 3.320 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.465 -3.522 3.385 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.399 -5.787 1.212 1.00 0.00 H new ATOM 0 HE1 TRP A 448 4.457 -4.495 -0.749 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.807 -0.996 2.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.971 -1.761 -1.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.612 0.919 1.602 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.772 0.551 -0.557 1.00 0.00 H new ATOM 147 N SER A 449 2.135 -2.339 6.185 1.00 0.00 N ATOM 148 CA SER A 449 1.266 -1.999 7.295 1.00 0.00 C ATOM 149 C SER A 449 -0.182 -2.354 6.934 1.00 0.00 C ATOM 150 O SER A 449 -0.508 -2.507 5.741 1.00 0.00 O ATOM 151 CB SER A 449 1.396 -0.490 7.592 1.00 0.00 C ATOM 152 OG SER A 449 0.805 0.323 6.586 1.00 0.00 O ATOM 0 H SER A 449 2.611 -1.545 5.756 1.00 0.00 H new ATOM 0 HA SER A 449 1.552 -2.562 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 449 0.927 -0.272 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 449 2.451 -0.233 7.687 1.00 0.00 H new ATOM 0 HG SER A 449 0.210 0.980 7.004 1.00 0.00 H new ATOM 158 N PRO A 450 -1.073 -2.485 7.931 1.00 0.00 N ATOM 159 CA PRO A 450 -2.466 -2.741 7.643 1.00 0.00 C ATOM 160 C PRO A 450 -2.950 -1.469 6.940 1.00 0.00 C ATOM 161 O PRO A 450 -2.376 -0.382 7.098 1.00 0.00 O ATOM 162 CB PRO A 450 -3.145 -2.979 8.995 1.00 0.00 C ATOM 163 CG PRO A 450 -2.253 -2.231 9.985 1.00 0.00 C ATOM 164 CD PRO A 450 -0.864 -2.354 9.361 1.00 0.00 C ATOM 0 HA PRO A 450 -2.673 -3.605 7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.165 -2.594 9.004 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.204 -4.041 9.232 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.556 -1.189 10.093 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.290 -2.678 10.978 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.257 -1.478 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.334 -3.220 9.758 1.00 0.00 H new ATOM 172 N TRP A 451 -3.980 -1.612 6.122 1.00 0.00 N ATOM 173 CA TRP A 451 -4.502 -0.473 5.405 1.00 0.00 C ATOM 174 C TRP A 451 -5.183 0.499 6.360 1.00 0.00 C ATOM 175 O TRP A 451 -5.819 0.082 7.338 1.00 0.00 O ATOM 176 CB TRP A 451 -5.542 -0.962 4.413 1.00 0.00 C ATOM 177 CG TRP A 451 -5.009 -1.634 3.200 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.086 -2.949 2.904 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.302 -1.008 2.100 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.468 -3.172 1.691 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.937 -2.013 1.167 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.919 0.315 1.815 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.192 -1.715 0.020 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.195 0.633 0.657 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.809 -0.383 -0.231 1.00 0.00 C ATOM 0 H TRP A 451 -4.461 -2.493 5.943 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.678 0.033 4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.209 -1.654 4.926 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.146 -0.111 4.099 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.555 -3.704 3.517 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.411 -4.084 1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.188 1.103 2.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.913 -2.500 -0.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.934 1.660 0.448 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.220 -0.144 -1.104 1.00 0.00 H new ATOM 196 N SER A 452 -5.108 1.783 6.033 1.00 0.00 N ATOM 197 CA SER A 452 -5.717 2.844 6.785 1.00 0.00 C ATOM 198 C SER A 452 -7.218 2.828 6.494 1.00 0.00 C ATOM 199 O SER A 452 -7.773 1.894 5.885 1.00 0.00 O ATOM 200 CB SER A 452 -5.086 4.162 6.320 1.00 0.00 C ATOM 201 OG SER A 452 -5.398 4.405 4.960 1.00 0.00 O ATOM 0 H SER A 452 -4.604 2.112 5.210 1.00 0.00 H new ATOM 0 HA SER A 452 -5.563 2.728 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.450 4.984 6.936 1.00 0.00 H new ATOM 0 HB3 SER A 452 -4.005 4.121 6.450 1.00 0.00 H new ATOM 0 HG SER A 452 -5.593 5.357 4.834 1.00 0.00 H new ATOM 207 N ALA A 453 -7.898 3.847 7.003 1.00 0.00 N ATOM 208 CA ALA A 453 -9.310 4.017 6.782 1.00 0.00 C ATOM 209 C ALA A 453 -9.492 4.263 5.280 1.00 0.00 C ATOM 210 O ALA A 453 -8.646 4.883 4.628 1.00 0.00 O ATOM 211 CB ALA A 453 -9.756 5.223 7.594 1.00 0.00 C ATOM 0 H ALA A 453 -7.476 4.575 7.580 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.899 3.152 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.825 5.383 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.554 5.045 8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.209 6.106 7.264 1.00 0.00 H new ATOM 217 N CYS A 454 -10.563 3.729 4.706 1.00 0.00 N ATOM 218 CA CYS A 454 -10.845 3.922 3.295 1.00 0.00 C ATOM 219 C CYS A 454 -11.090 5.418 3.108 1.00 0.00 C ATOM 220 O CYS A 454 -11.798 6.027 3.916 1.00 0.00 O ATOM 221 CB CYS A 454 -12.059 3.055 2.911 1.00 0.00 C ATOM 222 SG CYS A 454 -12.645 3.045 1.188 1.00 0.00 S ATOM 0 H CYS A 454 -11.250 3.159 5.199 1.00 0.00 H new ATOM 0 HA CYS A 454 -10.027 3.614 2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -11.824 2.026 3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.894 3.367 3.538 1.00 0.00 H new ATOM 227 N SER A 455 -10.510 6.016 2.060 1.00 0.00 N ATOM 228 CA SER A 455 -10.695 7.436 1.758 1.00 0.00 C ATOM 229 C SER A 455 -12.203 7.680 1.651 1.00 0.00 C ATOM 230 O SER A 455 -12.691 8.760 1.988 1.00 0.00 O ATOM 231 CB SER A 455 -9.934 7.801 0.477 1.00 0.00 C ATOM 232 OG SER A 455 -9.785 9.195 0.299 1.00 0.00 O ATOM 0 H SER A 455 -9.902 5.529 1.401 1.00 0.00 H new ATOM 0 HA SER A 455 -10.289 8.078 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.948 7.337 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.460 7.385 -0.382 1.00 0.00 H new ATOM 0 HG SER A 455 -9.293 9.368 -0.530 1.00 0.00 H new ATOM 238 N SER A 456 -12.933 6.667 1.177 1.00 0.00 N ATOM 239 CA SER A 456 -14.365 6.688 1.060 1.00 0.00 C ATOM 240 C SER A 456 -14.931 6.049 2.318 1.00 0.00 C ATOM 241 O SER A 456 -14.676 4.883 2.607 1.00 0.00 O ATOM 242 CB SER A 456 -14.796 5.837 -0.109 1.00 0.00 C ATOM 243 OG SER A 456 -14.819 6.570 -1.298 1.00 0.00 O ATOM 0 H SER A 456 -12.517 5.792 0.859 1.00 0.00 H new ATOM 0 HA SER A 456 -14.712 7.712 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.116 4.992 -0.215 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.787 5.426 0.085 1.00 0.00 H new ATOM 0 HG SER A 456 -15.457 6.163 -1.921 1.00 0.00 H new ATOM 249 N SER A 457 -15.682 6.818 3.085 1.00 0.00 N ATOM 250 CA SER A 457 -16.317 6.324 4.304 1.00 0.00 C ATOM 251 C SER A 457 -17.640 5.622 3.961 1.00 0.00 C ATOM 252 O SER A 457 -18.311 5.079 4.839 1.00 0.00 O ATOM 253 CB SER A 457 -16.514 7.492 5.275 1.00 0.00 C ATOM 254 OG SER A 457 -16.847 8.694 4.597 1.00 0.00 O ATOM 0 H SER A 457 -15.872 7.800 2.886 1.00 0.00 H new ATOM 0 HA SER A 457 -15.680 5.585 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.304 7.245 5.985 1.00 0.00 H new ATOM 0 HB3 SER A 457 -15.602 7.642 5.853 1.00 0.00 H new ATOM 0 HG SER A 457 -16.966 9.415 5.250 1.00 0.00 H new ATOM 260 N THR A 458 -18.017 5.619 2.682 1.00 0.00 N ATOM 261 CA THR A 458 -19.233 5.029 2.165 1.00 0.00 C ATOM 262 C THR A 458 -18.898 3.963 1.124 1.00 0.00 C ATOM 263 O THR A 458 -17.727 3.728 0.806 1.00 0.00 O ATOM 264 CB THR A 458 -20.089 6.158 1.572 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.437 6.772 0.479 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.446 7.232 2.605 1.00 0.00 C ATOM 0 H THR A 458 -17.450 6.050 1.952 1.00 0.00 H new ATOM 0 HA THR A 458 -19.793 4.533 2.957 1.00 0.00 H new ATOM 0 HB THR A 458 -21.013 5.687 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 458 -20.004 7.486 0.119 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.051 8.005 2.132 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.009 6.779 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.532 7.677 2.998 1.00 0.00 H new ATOM 274 N CYS A 459 -19.928 3.339 0.556 1.00 0.00 N ATOM 275 CA CYS A 459 -19.805 2.309 -0.462 1.00 0.00 C ATOM 276 C CYS A 459 -19.278 2.892 -1.790 1.00 0.00 C ATOM 277 O CYS A 459 -19.091 2.166 -2.759 1.00 0.00 O ATOM 278 CB CYS A 459 -21.172 1.611 -0.577 1.00 0.00 C ATOM 279 SG CYS A 459 -21.348 0.217 -1.719 1.00 0.00 S ATOM 0 H CYS A 459 -20.896 3.545 0.801 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.061 1.563 -0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.447 1.260 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.905 2.366 -0.863 1.00 0.00 H new ATOM 0 HG CYS A 459 -20.490 0.339 -2.688 1.00 0.00 H new ATOM 284 N GLU A 460 -19.100 4.209 -1.924 1.00 0.00 N ATOM 285 CA GLU A 460 -18.580 4.792 -3.158 1.00 0.00 C ATOM 286 C GLU A 460 -17.115 4.391 -3.280 1.00 0.00 C ATOM 287 O GLU A 460 -16.333 4.735 -2.399 1.00 0.00 O ATOM 288 CB GLU A 460 -18.660 6.314 -3.107 1.00 0.00 C ATOM 289 CG GLU A 460 -20.016 6.825 -3.588 1.00 0.00 C ATOM 290 CD GLU A 460 -20.000 8.335 -3.809 1.00 0.00 C ATOM 291 OE1 GLU A 460 -18.926 8.984 -3.779 1.00 0.00 O ATOM 292 OE2 GLU A 460 -21.076 8.931 -4.017 1.00 0.00 O ATOM 0 H GLU A 460 -19.309 4.889 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 460 -19.167 4.436 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.484 6.654 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.870 6.741 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.286 6.323 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.782 6.572 -2.855 1.00 0.00 H new ATOM 299 N LYS A 461 -16.722 3.686 -4.340 1.00 0.00 N ATOM 300 CA LYS A 461 -15.351 3.225 -4.591 1.00 0.00 C ATOM 301 C LYS A 461 -14.319 4.303 -4.273 1.00 0.00 C ATOM 302 O LYS A 461 -14.352 5.391 -4.858 1.00 0.00 O ATOM 303 CB LYS A 461 -15.233 2.793 -6.056 1.00 0.00 C ATOM 304 CG LYS A 461 -16.055 1.532 -6.349 1.00 0.00 C ATOM 305 CD LYS A 461 -15.199 0.272 -6.488 1.00 0.00 C ATOM 306 CE LYS A 461 -16.150 -0.881 -6.823 1.00 0.00 C ATOM 307 NZ LYS A 461 -15.444 -2.165 -6.967 1.00 0.00 N ATOM 0 H LYS A 461 -17.371 3.408 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 461 -15.145 2.382 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.570 3.604 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -14.186 2.608 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.779 1.384 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -16.622 1.681 -7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -14.453 0.397 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -14.658 0.069 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -16.902 -0.968 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -16.680 -0.655 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -15.861 -2.704 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -14.438 -1.988 -7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -15.533 -2.711 -6.086 1.00 0.00 H new ATOM 321 N GLY A 462 -13.405 3.995 -3.359 1.00 0.00 N ATOM 322 CA GLY A 462 -12.329 4.867 -2.906 1.00 0.00 C ATOM 323 C GLY A 462 -11.023 4.091 -2.851 1.00 0.00 C ATOM 324 O GLY A 462 -10.914 3.023 -3.461 1.00 0.00 O ATOM 0 H GLY A 462 -13.394 3.088 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.229 5.717 -3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.565 5.269 -1.921 1.00 0.00 H new ATOM 328 N LYS A 463 -10.026 4.625 -2.137 1.00 0.00 N ATOM 329 CA LYS A 463 -8.710 4.004 -1.947 1.00 0.00 C ATOM 330 C LYS A 463 -8.219 4.144 -0.513 1.00 0.00 C ATOM 331 O LYS A 463 -8.638 5.063 0.180 1.00 0.00 O ATOM 332 CB LYS A 463 -7.650 4.650 -2.857 1.00 0.00 C ATOM 333 CG LYS A 463 -7.776 4.221 -4.316 1.00 0.00 C ATOM 334 CD LYS A 463 -6.621 4.790 -5.144 1.00 0.00 C ATOM 335 CE LYS A 463 -6.799 4.405 -6.617 1.00 0.00 C ATOM 336 NZ LYS A 463 -7.930 5.123 -7.242 1.00 0.00 N ATOM 0 H LYS A 463 -10.114 5.524 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.839 2.951 -2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.737 5.735 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.657 4.388 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -7.777 3.133 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -8.727 4.566 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -6.589 5.875 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.671 4.407 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -5.882 4.626 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -6.964 3.330 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -7.885 5.010 -8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -8.827 4.732 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -7.875 6.133 -7.002 1.00 0.00 H new ATOM 350 N ARG A 464 -7.372 3.224 -0.051 1.00 0.00 N ATOM 351 CA ARG A 464 -6.752 3.233 1.273 1.00 0.00 C ATOM 352 C ARG A 464 -5.284 3.612 1.079 1.00 0.00 C ATOM 353 O ARG A 464 -4.789 3.604 -0.050 1.00 0.00 O ATOM 354 CB ARG A 464 -6.835 1.842 1.910 1.00 0.00 C ATOM 355 CG ARG A 464 -8.271 1.497 2.272 1.00 0.00 C ATOM 356 CD ARG A 464 -8.506 0.003 2.452 1.00 0.00 C ATOM 357 NE ARG A 464 -8.229 -0.834 1.273 1.00 0.00 N ATOM 358 CZ ARG A 464 -8.404 -2.160 1.255 1.00 0.00 C ATOM 359 NH1 ARG A 464 -8.585 -2.835 2.389 1.00 0.00 N ATOM 360 NH2 ARG A 464 -8.399 -2.797 0.091 1.00 0.00 N ATOM 0 H ARG A 464 -7.088 2.420 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.263 3.939 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -6.441 1.097 1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.212 1.809 2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.540 2.013 3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.935 1.870 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.885 -0.347 3.277 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -9.544 -0.150 2.747 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.886 -0.380 0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -8.591 -2.341 3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -8.718 -3.846 2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -8.263 -2.276 -0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -8.531 -3.808 0.062 1.00 0.00 H new ATOM 374 N MET A 465 -4.580 3.868 2.176 1.00 0.00 N ATOM 375 CA MET A 465 -3.173 4.236 2.225 1.00 0.00 C ATOM 376 C MET A 465 -2.458 3.239 3.135 1.00 0.00 C ATOM 377 O MET A 465 -3.055 2.718 4.084 1.00 0.00 O ATOM 378 CB MET A 465 -3.093 5.659 2.806 1.00 0.00 C ATOM 379 CG MET A 465 -1.688 6.208 3.050 1.00 0.00 C ATOM 380 SD MET A 465 -1.717 7.921 3.660 1.00 0.00 S ATOM 381 CE MET A 465 -0.707 7.757 5.159 1.00 0.00 C ATOM 0 H MET A 465 -5.000 3.821 3.104 1.00 0.00 H new ATOM 0 HA MET A 465 -2.705 4.216 1.241 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.613 6.336 2.128 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.636 5.675 3.751 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.173 5.575 3.773 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.116 6.164 2.123 1.00 0.00 H new ATOM 0 HE1 MET A 465 -0.628 8.726 5.652 1.00 0.00 H new ATOM 0 HE2 MET A 465 -1.175 7.042 5.836 1.00 0.00 H new ATOM 0 HE3 MET A 465 0.289 7.404 4.890 1.00 0.00 H new ATOM 391 N ARG A 466 -1.199 2.924 2.836 1.00 0.00 N ATOM 392 CA ARG A 466 -0.377 2.025 3.636 1.00 0.00 C ATOM 393 C ARG A 466 1.076 2.424 3.426 1.00 0.00 C ATOM 394 O ARG A 466 1.404 3.173 2.503 1.00 0.00 O ATOM 395 CB ARG A 466 -0.610 0.540 3.290 1.00 0.00 C ATOM 396 CG ARG A 466 -0.084 0.144 1.904 1.00 0.00 C ATOM 397 CD ARG A 466 -0.227 -1.358 1.661 1.00 0.00 C ATOM 398 NE ARG A 466 0.208 -1.719 0.300 1.00 0.00 N ATOM 399 CZ ARG A 466 0.523 -2.936 -0.149 1.00 0.00 C ATOM 400 NH1 ARG A 466 0.361 -3.993 0.643 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.978 -3.078 -1.388 1.00 0.00 N ATOM 0 H ARG A 466 -0.716 3.294 2.017 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.653 2.121 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.126 -0.081 4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.678 0.327 3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.630 0.692 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.964 0.430 1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.366 -1.906 2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.266 -1.656 1.805 1.00 0.00 H new ATOM 0 HE ARG A 466 0.276 -0.955 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.002 -3.871 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 466 0.600 -4.925 0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 466 1.085 -2.261 -1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 466 1.221 -4.004 -1.739 1.00 0.00 H new ATOM 415 N GLN A 467 1.954 1.881 4.252 1.00 0.00 N ATOM 416 CA GLN A 467 3.376 2.135 4.188 1.00 0.00 C ATOM 417 C GLN A 467 4.102 0.944 4.790 1.00 0.00 C ATOM 418 O GLN A 467 3.497 0.035 5.359 1.00 0.00 O ATOM 419 CB GLN A 467 3.724 3.450 4.921 1.00 0.00 C ATOM 420 CG GLN A 467 3.207 3.515 6.372 1.00 0.00 C ATOM 421 CD GLN A 467 1.770 4.033 6.489 1.00 0.00 C ATOM 422 OE1 GLN A 467 1.426 5.044 5.889 1.00 0.00 O ATOM 423 NE2 GLN A 467 0.920 3.415 7.293 1.00 0.00 N ATOM 0 H GLN A 467 1.689 1.239 4.999 1.00 0.00 H new ATOM 0 HA GLN A 467 3.693 2.258 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.807 3.576 4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.309 4.287 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 467 3.263 2.520 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.865 4.159 6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 467 1.209 2.573 7.791 1.00 0.00 H new ATOM 0 HE22 GLN A 467 -0.025 3.780 7.414 1.00 0.00 H new ATOM 432 N ARG A 468 5.415 0.913 4.633 1.00 0.00 N ATOM 433 CA ARG A 468 6.262 -0.131 5.206 1.00 0.00 C ATOM 434 C ARG A 468 7.561 0.512 5.659 1.00 0.00 C ATOM 435 O ARG A 468 7.739 1.722 5.475 1.00 0.00 O ATOM 436 CB ARG A 468 6.400 -1.365 4.296 1.00 0.00 C ATOM 437 CG ARG A 468 6.969 -1.182 2.882 1.00 0.00 C ATOM 438 CD ARG A 468 6.867 -2.539 2.164 1.00 0.00 C ATOM 439 NE ARG A 468 7.270 -2.514 0.745 1.00 0.00 N ATOM 440 CZ ARG A 468 7.523 -3.586 -0.021 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.449 -4.823 0.455 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.864 -3.435 -1.288 1.00 0.00 N ATOM 0 H ARG A 468 5.931 1.614 4.102 1.00 0.00 H new ATOM 0 HA ARG A 468 5.791 -0.564 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 468 7.030 -2.088 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.412 -1.815 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.411 -0.418 2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 468 8.006 -0.848 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.488 -3.262 2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.839 -2.894 2.230 1.00 0.00 H new ATOM 0 HE ARG A 468 7.365 -1.598 0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 468 7.193 -4.980 1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.648 -5.617 -0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.936 -2.500 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 468 8.055 -4.254 -1.866 1.00 0.00 H new ATOM 456 N MET A 469 8.456 -0.264 6.262 1.00 0.00 N ATOM 457 CA MET A 469 9.744 0.218 6.740 1.00 0.00 C ATOM 458 C MET A 469 10.835 -0.589 6.049 1.00 0.00 C ATOM 459 O MET A 469 10.782 -1.819 6.038 1.00 0.00 O ATOM 460 CB MET A 469 9.785 0.147 8.269 1.00 0.00 C ATOM 461 CG MET A 469 11.005 0.877 8.823 1.00 0.00 C ATOM 462 SD MET A 469 10.920 1.200 10.602 1.00 0.00 S ATOM 463 CE MET A 469 12.467 2.117 10.755 1.00 0.00 C ATOM 0 H MET A 469 8.304 -1.258 6.434 1.00 0.00 H new ATOM 0 HA MET A 469 9.907 1.266 6.490 1.00 0.00 H new ATOM 0 HB2 MET A 469 8.877 0.587 8.681 1.00 0.00 H new ATOM 0 HB3 MET A 469 9.806 -0.895 8.587 1.00 0.00 H new ATOM 0 HG2 MET A 469 11.896 0.286 8.613 1.00 0.00 H new ATOM 0 HG3 MET A 469 11.120 1.825 8.297 1.00 0.00 H new ATOM 0 HE1 MET A 469 12.611 2.416 11.793 1.00 0.00 H new ATOM 0 HE2 MET A 469 13.297 1.485 10.441 1.00 0.00 H new ATOM 0 HE3 MET A 469 12.428 3.005 10.123 1.00 0.00 H new ATOM 473 N LEU A 470 11.799 0.089 5.430 1.00 0.00 N ATOM 474 CA LEU A 470 12.915 -0.512 4.711 1.00 0.00 C ATOM 475 C LEU A 470 13.782 -1.268 5.725 1.00 0.00 C ATOM 476 O LEU A 470 14.166 -0.700 6.749 1.00 0.00 O ATOM 477 CB LEU A 470 13.652 0.614 3.958 1.00 0.00 C ATOM 478 CG LEU A 470 14.745 0.212 2.948 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.980 -0.352 3.640 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.243 -0.780 1.892 1.00 0.00 C ATOM 0 H LEU A 470 11.823 1.109 5.416 1.00 0.00 H new ATOM 0 HA LEU A 470 12.604 -1.241 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.906 1.204 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.107 1.270 4.700 1.00 0.00 H new ATOM 0 HG LEU A 470 15.020 1.134 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.725 -0.622 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.396 0.399 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.704 -1.237 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 470 15.056 -1.026 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.894 -1.688 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.422 -0.331 1.333 1.00 0.00 H new ATOM 492 N LYS A 471 14.021 -2.567 5.507 1.00 0.00 N ATOM 493 CA LYS A 471 14.835 -3.407 6.390 1.00 0.00 C ATOM 494 C LYS A 471 16.289 -3.373 5.944 1.00 0.00 C ATOM 495 O LYS A 471 17.151 -3.186 6.802 1.00 0.00 O ATOM 496 CB LYS A 471 14.298 -4.844 6.456 1.00 0.00 C ATOM 497 CG LYS A 471 13.032 -4.913 7.316 1.00 0.00 C ATOM 498 CD LYS A 471 12.366 -6.291 7.244 1.00 0.00 C ATOM 499 CE LYS A 471 13.179 -7.381 7.937 1.00 0.00 C ATOM 500 NZ LYS A 471 12.641 -8.721 7.634 1.00 0.00 N ATOM 0 H LYS A 471 13.649 -3.070 4.701 1.00 0.00 H new ATOM 0 HA LYS A 471 14.775 -3.004 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.079 -5.202 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.061 -5.503 6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.284 -4.685 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.326 -4.151 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 471 11.378 -6.236 7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 471 12.219 -6.564 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 471 14.219 -7.323 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.168 -7.217 9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.213 -9.442 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 11.656 -8.782 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 12.674 -8.884 6.607 1.00 0.00 H new ATOM 514 N ALA A 472 16.568 -3.614 4.664 1.00 0.00 N ATOM 515 CA ALA A 472 17.900 -3.590 4.077 1.00 0.00 C ATOM 516 C ALA A 472 17.773 -3.180 2.607 1.00 0.00 C ATOM 517 O ALA A 472 16.685 -3.248 2.036 1.00 0.00 O ATOM 518 CB ALA A 472 18.551 -4.972 4.197 1.00 0.00 C ATOM 0 H ALA A 472 15.842 -3.840 3.984 1.00 0.00 H new ATOM 0 HA ALA A 472 18.531 -2.874 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.547 -4.945 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.628 -5.248 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.942 -5.708 3.673 1.00 0.00 H new ATOM 524 N GLN A 473 18.868 -2.744 1.987 1.00 0.00 N ATOM 525 CA GLN A 473 18.908 -2.345 0.585 1.00 0.00 C ATOM 526 C GLN A 473 20.210 -2.921 0.028 1.00 0.00 C ATOM 527 O GLN A 473 21.248 -2.887 0.700 1.00 0.00 O ATOM 528 CB GLN A 473 18.768 -0.813 0.424 1.00 0.00 C ATOM 529 CG GLN A 473 20.033 -0.040 0.813 1.00 0.00 C ATOM 530 CD GLN A 473 19.796 1.456 0.981 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.749 1.970 2.095 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.677 2.218 -0.085 1.00 0.00 N ATOM 0 H GLN A 473 19.769 -2.657 2.456 1.00 0.00 H new ATOM 0 HA GLN A 473 18.064 -2.736 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.517 -0.586 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.936 -0.466 1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.426 -0.446 1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.796 -0.197 0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.714 1.802 -1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.547 3.224 0.019 1.00 0.00 H new ATOM 541 N LEU A 474 20.166 -3.480 -1.175 1.00 0.00 N ATOM 542 CA LEU A 474 21.327 -4.072 -1.822 1.00 0.00 C ATOM 543 C LEU A 474 22.331 -2.989 -2.218 1.00 0.00 C ATOM 544 O LEU A 474 23.532 -3.251 -2.175 1.00 0.00 O ATOM 545 CB LEU A 474 20.897 -4.868 -3.061 1.00 0.00 C ATOM 546 CG LEU A 474 20.407 -6.298 -2.765 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.174 -6.388 -1.851 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.169 -7.055 -4.076 1.00 0.00 C ATOM 0 H LEU A 474 19.314 -3.535 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 474 21.806 -4.750 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.101 -4.323 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.738 -4.922 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 474 21.209 -6.769 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 474 18.907 -7.434 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.401 -5.931 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 474 18.339 -5.862 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 474 19.823 -8.065 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 474 19.415 -6.534 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 474 21.100 -7.106 -4.641 1.00 0.00 H new ATOM 560 N ASP A 475 21.862 -1.783 -2.553 1.00 0.00 N ATOM 561 CA ASP A 475 22.698 -0.658 -2.965 1.00 0.00 C ATOM 562 C ASP A 475 22.420 0.527 -2.053 1.00 0.00 C ATOM 563 O ASP A 475 21.386 1.181 -2.169 1.00 0.00 O ATOM 564 CB ASP A 475 22.478 -0.296 -4.443 1.00 0.00 C ATOM 565 CG ASP A 475 23.405 0.839 -4.905 1.00 0.00 C ATOM 566 OD1 ASP A 475 24.341 1.217 -4.158 1.00 0.00 O ATOM 567 OD2 ASP A 475 23.216 1.336 -6.040 1.00 0.00 O ATOM 0 H ASP A 475 20.867 -1.560 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 475 23.746 -0.943 -2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 475 22.649 -1.177 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.440 0.001 -4.592 1.00 0.00 H new ATOM 572 N LEU A 476 23.321 0.775 -1.101 1.00 0.00 N ATOM 573 CA LEU A 476 23.239 1.862 -0.123 1.00 0.00 C ATOM 574 C LEU A 476 23.204 3.236 -0.792 1.00 0.00 C ATOM 575 O LEU A 476 22.757 4.206 -0.174 1.00 0.00 O ATOM 576 CB LEU A 476 24.434 1.788 0.848 1.00 0.00 C ATOM 577 CG LEU A 476 24.306 0.785 2.012 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.242 1.205 3.031 1.00 0.00 C ATOM 579 CD2 LEU A 476 24.065 -0.659 1.558 1.00 0.00 C ATOM 0 H LEU A 476 24.158 0.204 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 476 22.306 1.737 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.326 1.535 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.596 2.781 1.268 1.00 0.00 H new ATOM 0 HG LEU A 476 25.280 0.807 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.191 0.465 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.504 2.176 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.272 1.273 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.986 -1.307 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 476 23.140 -0.710 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.897 -0.989 0.936 1.00 0.00 H new ATOM 591 N SER A 477 23.657 3.327 -2.039 1.00 0.00 N ATOM 592 CA SER A 477 23.705 4.544 -2.824 1.00 0.00 C ATOM 593 C SER A 477 22.364 4.898 -3.469 1.00 0.00 C ATOM 594 O SER A 477 22.219 5.998 -4.014 1.00 0.00 O ATOM 595 CB SER A 477 24.774 4.306 -3.892 1.00 0.00 C ATOM 596 OG SER A 477 25.253 5.495 -4.463 1.00 0.00 O ATOM 0 H SER A 477 24.014 2.517 -2.546 1.00 0.00 H new ATOM 0 HA SER A 477 23.939 5.393 -2.182 1.00 0.00 H new ATOM 0 HB2 SER A 477 25.607 3.761 -3.449 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.361 3.673 -4.677 1.00 0.00 H new ATOM 0 HG SER A 477 24.512 6.127 -4.573 1.00 0.00 H new ATOM 602 N VAL A 478 21.368 4.012 -3.405 1.00 0.00 N ATOM 603 CA VAL A 478 20.062 4.221 -4.011 1.00 0.00 C ATOM 604 C VAL A 478 18.998 3.875 -2.979 1.00 0.00 C ATOM 605 O VAL A 478 18.834 2.693 -2.670 1.00 0.00 O ATOM 606 CB VAL A 478 19.985 3.358 -5.277 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.606 3.395 -5.950 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.035 3.864 -6.266 1.00 0.00 C ATOM 0 H VAL A 478 21.453 3.117 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 478 19.897 5.256 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 478 20.167 2.324 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.618 2.765 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.852 3.027 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.368 4.420 -6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 478 20.998 3.264 -7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.832 4.906 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.025 3.783 -5.818 1.00 0.00 H new ATOM 618 N PRO A 479 18.319 4.880 -2.401 1.00 0.00 N ATOM 619 CA PRO A 479 17.302 4.628 -1.407 1.00 0.00 C ATOM 620 C PRO A 479 16.093 3.976 -2.056 1.00 0.00 C ATOM 621 O PRO A 479 15.966 3.924 -3.285 1.00 0.00 O ATOM 622 CB PRO A 479 16.945 5.994 -0.814 1.00 0.00 C ATOM 623 CG PRO A 479 17.261 6.975 -1.942 1.00 0.00 C ATOM 624 CD PRO A 479 18.416 6.305 -2.685 1.00 0.00 C ATOM 0 HA PRO A 479 17.649 3.947 -0.629 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.895 6.042 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.532 6.208 0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.400 7.129 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.546 7.953 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.349 6.492 -3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.374 6.703 -2.352 1.00 0.00 H new ATOM 632 N CYS A 480 15.172 3.549 -1.203 1.00 0.00 N ATOM 633 CA CYS A 480 13.938 2.905 -1.595 1.00 0.00 C ATOM 634 C CYS A 480 12.747 3.753 -1.136 1.00 0.00 C ATOM 635 O CYS A 480 12.044 3.340 -0.219 1.00 0.00 O ATOM 636 CB CYS A 480 13.945 1.489 -1.006 1.00 0.00 C ATOM 637 SG CYS A 480 15.410 0.502 -1.433 1.00 0.00 S ATOM 0 H CYS A 480 15.271 3.646 -0.192 1.00 0.00 H new ATOM 0 HA CYS A 480 13.846 2.819 -2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.874 1.560 0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.055 0.962 -1.349 1.00 0.00 H new ATOM 642 N PRO A 481 12.486 4.917 -1.767 1.00 0.00 N ATOM 643 CA PRO A 481 11.381 5.823 -1.431 1.00 0.00 C ATOM 644 C PRO A 481 9.978 5.219 -1.625 1.00 0.00 C ATOM 645 O PRO A 481 8.990 5.837 -1.224 1.00 0.00 O ATOM 646 CB PRO A 481 11.586 7.059 -2.318 1.00 0.00 C ATOM 647 CG PRO A 481 12.369 6.510 -3.508 1.00 0.00 C ATOM 648 CD PRO A 481 13.265 5.480 -2.856 1.00 0.00 C ATOM 0 HA PRO A 481 11.409 6.056 -0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.636 7.494 -2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 481 12.140 7.840 -1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.713 6.064 -4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.943 7.288 -4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.558 4.708 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 481 14.183 5.937 -2.486 1.00 0.00 H new ATOM 656 N ASP A 482 9.876 4.017 -2.192 1.00 0.00 N ATOM 657 CA ASP A 482 8.672 3.222 -2.473 1.00 0.00 C ATOM 658 C ASP A 482 7.977 2.746 -1.178 1.00 0.00 C ATOM 659 O ASP A 482 7.175 1.812 -1.188 1.00 0.00 O ATOM 660 CB ASP A 482 9.117 1.984 -3.281 1.00 0.00 C ATOM 661 CG ASP A 482 9.204 2.177 -4.791 1.00 0.00 C ATOM 662 OD1 ASP A 482 9.946 3.075 -5.258 1.00 0.00 O ATOM 663 OD2 ASP A 482 8.600 1.351 -5.515 1.00 0.00 O ATOM 0 H ASP A 482 10.715 3.524 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 482 7.960 3.839 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 482 10.094 1.667 -2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 482 8.421 1.170 -3.077 1.00 0.00 H new ATOM 668 N THR A 483 8.315 3.317 -0.027 1.00 0.00 N ATOM 669 CA THR A 483 7.819 3.007 1.303 1.00 0.00 C ATOM 670 C THR A 483 6.320 3.184 1.483 1.00 0.00 C ATOM 671 O THR A 483 5.836 2.844 2.562 1.00 0.00 O ATOM 672 CB THR A 483 8.587 3.909 2.304 1.00 0.00 C ATOM 673 OG1 THR A 483 8.210 5.263 2.167 1.00 0.00 O ATOM 674 CG2 THR A 483 10.105 3.915 2.096 1.00 0.00 C ATOM 0 H THR A 483 9.001 4.072 -0.002 1.00 0.00 H new ATOM 0 HA THR A 483 7.993 1.946 1.480 1.00 0.00 H new ATOM 0 HB THR A 483 8.334 3.487 3.277 1.00 0.00 H new ATOM 0 HG1 THR A 483 8.708 5.808 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.571 4.568 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 483 10.492 2.903 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.334 4.278 1.094 1.00 0.00 H new ATOM 682 N GLN A 484 5.583 3.671 0.480 1.00 0.00 N ATOM 683 CA GLN A 484 4.157 3.931 0.565 1.00 0.00 C ATOM 684 C GLN A 484 3.412 3.373 -0.632 1.00 0.00 C ATOM 685 O GLN A 484 3.963 3.298 -1.731 1.00 0.00 O ATOM 686 CB GLN A 484 3.947 5.458 0.633 1.00 0.00 C ATOM 687 CG GLN A 484 4.992 6.134 1.534 1.00 0.00 C ATOM 688 CD GLN A 484 4.604 7.512 2.019 1.00 0.00 C ATOM 689 OE1 GLN A 484 3.770 7.652 2.911 1.00 0.00 O ATOM 690 NE2 GLN A 484 5.273 8.545 1.551 1.00 0.00 N ATOM 0 H GLN A 484 5.978 3.898 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 484 3.764 3.441 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 484 4.005 5.879 -0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 484 2.947 5.672 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.174 5.496 2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 484 5.932 6.206 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 484 5.962 8.413 0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 484 5.102 9.477 1.929 1.00 0.00 H new ATOM 699 N ASP A 485 2.155 2.994 -0.416 1.00 0.00 N ATOM 700 CA ASP A 485 1.300 2.463 -1.481 1.00 0.00 C ATOM 701 C ASP A 485 -0.175 2.797 -1.234 1.00 0.00 C ATOM 702 O ASP A 485 -0.583 3.013 -0.090 1.00 0.00 O ATOM 703 CB ASP A 485 1.520 0.961 -1.618 1.00 0.00 C ATOM 704 CG ASP A 485 1.031 0.385 -2.945 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.642 1.137 -3.865 1.00 0.00 O ATOM 706 OD2 ASP A 485 1.020 -0.861 -3.062 1.00 0.00 O ATOM 0 H ASP A 485 1.700 3.045 0.495 1.00 0.00 H new ATOM 0 HA ASP A 485 1.577 2.940 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.583 0.748 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 485 1.008 0.452 -0.801 1.00 0.00 H new ATOM 711 N PHE A 486 -0.983 2.814 -2.298 1.00 0.00 N ATOM 712 CA PHE A 486 -2.408 3.132 -2.292 1.00 0.00 C ATOM 713 C PHE A 486 -3.164 2.185 -3.226 1.00 0.00 C ATOM 714 O PHE A 486 -2.802 2.063 -4.393 1.00 0.00 O ATOM 715 CB PHE A 486 -2.595 4.578 -2.785 1.00 0.00 C ATOM 716 CG PHE A 486 -2.195 5.661 -1.800 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.835 5.962 -1.569 1.00 0.00 C ATOM 718 CD2 PHE A 486 -3.198 6.380 -1.122 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.471 6.957 -0.643 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.835 7.394 -0.217 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.477 7.687 0.017 1.00 0.00 C ATOM 0 H PHE A 486 -0.640 2.595 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.798 3.021 -1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.015 4.710 -3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.643 4.721 -3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 486 -0.068 5.424 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.240 6.154 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.571 7.159 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.602 7.951 0.301 1.00 0.00 H new ATOM 0 HZ PHE A 486 -1.207 8.474 0.705 1.00 0.00 H new ATOM 731 N GLN A 487 -4.201 1.502 -2.732 1.00 0.00 N ATOM 732 CA GLN A 487 -5.026 0.572 -3.511 1.00 0.00 C ATOM 733 C GLN A 487 -6.512 0.828 -3.243 1.00 0.00 C ATOM 734 O GLN A 487 -6.850 1.448 -2.228 1.00 0.00 O ATOM 735 CB GLN A 487 -4.697 -0.895 -3.176 1.00 0.00 C ATOM 736 CG GLN A 487 -3.716 -1.575 -4.135 1.00 0.00 C ATOM 737 CD GLN A 487 -2.254 -1.331 -3.791 1.00 0.00 C ATOM 738 OE1 GLN A 487 -1.726 -1.948 -2.867 1.00 0.00 O ATOM 739 NE2 GLN A 487 -1.572 -0.486 -4.535 1.00 0.00 N ATOM 0 H GLN A 487 -4.497 1.581 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.804 0.745 -4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.284 -0.938 -2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.625 -1.466 -3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -3.906 -2.648 -4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -3.906 -1.219 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.035 0.013 -5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -0.581 -0.330 -4.351 1.00 0.00 H new ATOM 748 N PRO A 488 -7.414 0.305 -4.096 1.00 0.00 N ATOM 749 CA PRO A 488 -8.850 0.481 -3.965 1.00 0.00 C ATOM 750 C PRO A 488 -9.423 -0.084 -2.672 1.00 0.00 C ATOM 751 O PRO A 488 -8.825 -0.929 -1.994 1.00 0.00 O ATOM 752 CB PRO A 488 -9.469 -0.216 -5.182 1.00 0.00 C ATOM 753 CG PRO A 488 -8.421 -1.244 -5.579 1.00 0.00 C ATOM 754 CD PRO A 488 -7.153 -0.446 -5.316 1.00 0.00 C ATOM 0 HA PRO A 488 -9.084 1.545 -3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.419 -0.688 -4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.665 0.488 -5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.476 -2.150 -4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.512 -1.550 -6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.293 -1.104 -5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.929 0.222 -6.148 1.00 0.00 H new ATOM 762 N CYS A 489 -10.620 0.397 -2.353 1.00 0.00 N ATOM 763 CA CYS A 489 -11.396 0.009 -1.204 1.00 0.00 C ATOM 764 C CYS A 489 -12.855 0.323 -1.475 1.00 0.00 C ATOM 765 O CYS A 489 -13.199 1.012 -2.448 1.00 0.00 O ATOM 766 CB CYS A 489 -10.920 0.763 0.038 1.00 0.00 C ATOM 767 SG CYS A 489 -11.054 2.565 0.039 1.00 0.00 S ATOM 0 H CYS A 489 -11.089 1.101 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.273 -1.059 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -11.481 0.386 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -9.874 0.506 0.204 1.00 0.00 H new ATOM 772 N MET A 490 -13.682 -0.216 -0.592 1.00 0.00 N ATOM 773 CA MET A 490 -15.117 -0.078 -0.548 1.00 0.00 C ATOM 774 C MET A 490 -15.445 0.055 0.937 1.00 0.00 C ATOM 775 O MET A 490 -14.885 -0.698 1.741 1.00 0.00 O ATOM 776 CB MET A 490 -15.841 -1.262 -1.189 1.00 0.00 C ATOM 777 CG MET A 490 -15.485 -1.421 -2.673 1.00 0.00 C ATOM 778 SD MET A 490 -16.782 -2.125 -3.728 1.00 0.00 S ATOM 779 CE MET A 490 -17.221 -3.594 -2.771 1.00 0.00 C ATOM 0 H MET A 490 -13.334 -0.804 0.166 1.00 0.00 H new ATOM 0 HA MET A 490 -15.454 0.784 -1.124 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.583 -2.176 -0.655 1.00 0.00 H new ATOM 0 HB3 MET A 490 -16.918 -1.126 -1.087 1.00 0.00 H new ATOM 0 HG2 MET A 490 -15.213 -0.442 -3.068 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.600 -2.052 -2.749 1.00 0.00 H new ATOM 0 HE1 MET A 490 -17.862 -4.240 -3.370 1.00 0.00 H new ATOM 0 HE2 MET A 490 -16.315 -4.134 -2.498 1.00 0.00 H new ATOM 0 HE3 MET A 490 -17.751 -3.294 -1.867 1.00 0.00 H new ATOM 789 N GLY A 491 -16.308 1.000 1.312 1.00 0.00 N ATOM 790 CA GLY A 491 -16.695 1.196 2.705 1.00 0.00 C ATOM 791 C GLY A 491 -17.358 -0.067 3.281 1.00 0.00 C ATOM 792 O GLY A 491 -17.691 -0.988 2.528 1.00 0.00 O ATOM 0 H GLY A 491 -16.755 1.646 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.816 1.451 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.384 2.037 2.779 1.00 0.00 H new