USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 422 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 490 MET CE :methyl 145:sc= -0.156 (180deg=-1.09) USER MOD Set 1.2: A 495 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 456 SER OG : rot -160:sc= 0.867 USER MOD Set 2.2: A 458 THR OG1 : rot 25:sc= 0.032 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 445 TYR OH : rot 30:sc= -0.149 USER MOD Single : A 446 SER OG : rot 140:sc= 0.542 USER MOD Single : A 447 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.01) USER MOD Single : A 449 SER OG : rot 95:sc= 1.18 USER MOD Single : A 452 SER OG : rot 150:sc= 0.403 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ -178:sc= 0.874 (180deg=0.872) USER MOD Single : A 465 MET CE :methyl -170:sc= -0.0285 (180deg=-0.314) USER MOD Single : A 467 GLN : amide:sc= -0.033 K(o=-0.033,f=-1.1) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 471 LYS NZ :NH3+ -168:sc= 0.751 (180deg=0.619) USER MOD Single : A 473 GLN : amide:sc= 0.108 X(o=0.11,f=-0.0049) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 487 GLN : amide:sc= 0.487 K(o=0.49,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 10.640 -1.997 -8.162 1.00 0.00 N ATOM 2 CA GLY A 439 11.862 -2.791 -8.023 1.00 0.00 C ATOM 3 C GLY A 439 12.052 -3.173 -6.575 1.00 0.00 C ATOM 4 O GLY A 439 12.380 -2.321 -5.751 1.00 0.00 O ATOM 0 HA2 GLY A 439 11.799 -3.687 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 439 12.721 -2.220 -8.375 1.00 0.00 H new ATOM 8 N SER A 440 11.820 -4.439 -6.249 1.00 0.00 N ATOM 9 CA SER A 440 11.943 -4.982 -4.906 1.00 0.00 C ATOM 10 C SER A 440 13.102 -5.978 -4.838 1.00 0.00 C ATOM 11 O SER A 440 13.225 -6.723 -3.866 1.00 0.00 O ATOM 12 CB SER A 440 10.591 -5.558 -4.471 1.00 0.00 C ATOM 13 OG SER A 440 9.593 -4.560 -4.650 1.00 0.00 O ATOM 0 H SER A 440 11.532 -5.136 -6.936 1.00 0.00 H new ATOM 0 HA SER A 440 12.194 -4.198 -4.192 1.00 0.00 H new ATOM 0 HB2 SER A 440 10.350 -6.443 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 440 10.631 -5.870 -3.427 1.00 0.00 H new ATOM 0 HG SER A 440 8.722 -4.916 -4.377 1.00 0.00 H new ATOM 19 N GLU A 441 13.942 -6.052 -5.874 1.00 0.00 N ATOM 20 CA GLU A 441 15.088 -6.942 -5.862 1.00 0.00 C ATOM 21 C GLU A 441 16.168 -6.281 -5.007 1.00 0.00 C ATOM 22 O GLU A 441 16.697 -6.905 -4.089 1.00 0.00 O ATOM 23 CB GLU A 441 15.606 -7.321 -7.259 1.00 0.00 C ATOM 24 CG GLU A 441 15.936 -6.185 -8.239 1.00 0.00 C ATOM 25 CD GLU A 441 14.679 -5.581 -8.849 1.00 0.00 C ATOM 26 OE1 GLU A 441 14.190 -6.151 -9.854 1.00 0.00 O ATOM 27 OE2 GLU A 441 14.193 -4.567 -8.299 1.00 0.00 O ATOM 0 H GLU A 441 13.843 -5.503 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 441 14.784 -7.898 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 441 16.506 -7.922 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 441 14.860 -7.961 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 441 16.497 -5.408 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 441 16.579 -6.565 -9.033 1.00 0.00 H new ATOM 34 N THR A 442 16.438 -4.999 -5.254 1.00 0.00 N ATOM 35 CA THR A 442 17.444 -4.222 -4.557 1.00 0.00 C ATOM 36 C THR A 442 16.918 -3.526 -3.300 1.00 0.00 C ATOM 37 O THR A 442 17.671 -2.792 -2.664 1.00 0.00 O ATOM 38 CB THR A 442 18.094 -3.247 -5.548 1.00 0.00 C ATOM 39 OG1 THR A 442 17.149 -2.522 -6.313 1.00 0.00 O ATOM 40 CG2 THR A 442 19.005 -3.990 -6.530 1.00 0.00 C ATOM 0 H THR A 442 15.944 -4.463 -5.967 1.00 0.00 H new ATOM 0 HA THR A 442 18.203 -4.907 -4.180 1.00 0.00 H new ATOM 0 HB THR A 442 18.663 -2.549 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 442 17.618 -1.917 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 442 19.453 -3.277 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 442 19.792 -4.504 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 442 18.419 -4.719 -7.090 1.00 0.00 H new ATOM 48 N CYS A 443 15.663 -3.764 -2.922 1.00 0.00 N ATOM 49 CA CYS A 443 15.000 -3.168 -1.772 1.00 0.00 C ATOM 50 C CYS A 443 14.204 -4.248 -1.056 1.00 0.00 C ATOM 51 O CYS A 443 13.270 -4.822 -1.611 1.00 0.00 O ATOM 52 CB CYS A 443 14.080 -2.042 -2.237 1.00 0.00 C ATOM 53 SG CYS A 443 14.898 -0.582 -2.931 1.00 0.00 S ATOM 0 H CYS A 443 15.058 -4.406 -3.434 1.00 0.00 H new ATOM 0 HA CYS A 443 15.736 -2.748 -1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.399 -2.443 -2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.471 -1.725 -1.391 1.00 0.00 H new ATOM 58 N ILE A 444 14.602 -4.556 0.172 1.00 0.00 N ATOM 59 CA ILE A 444 14.002 -5.559 1.033 1.00 0.00 C ATOM 60 C ILE A 444 13.265 -4.771 2.099 1.00 0.00 C ATOM 61 O ILE A 444 13.866 -4.280 3.052 1.00 0.00 O ATOM 62 CB ILE A 444 15.095 -6.493 1.600 1.00 0.00 C ATOM 63 CG1 ILE A 444 15.936 -7.181 0.496 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.518 -7.529 2.583 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.126 -8.015 -0.506 1.00 0.00 C ATOM 0 H ILE A 444 15.393 -4.087 0.614 1.00 0.00 H new ATOM 0 HA ILE A 444 13.309 -6.221 0.513 1.00 0.00 H new ATOM 0 HB ILE A 444 15.774 -5.847 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.487 -6.416 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.675 -7.827 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.322 -8.164 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.045 -7.013 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 444 13.778 -8.144 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 444 15.800 -8.457 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 444 14.596 -8.807 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 444 14.406 -7.374 -1.014 1.00 0.00 H new ATOM 77 N TYR A 445 11.960 -4.607 1.931 1.00 0.00 N ATOM 78 CA TYR A 445 11.138 -3.861 2.868 1.00 0.00 C ATOM 79 C TYR A 445 10.494 -4.802 3.893 1.00 0.00 C ATOM 80 O TYR A 445 10.454 -6.026 3.711 1.00 0.00 O ATOM 81 CB TYR A 445 10.062 -3.079 2.103 1.00 0.00 C ATOM 82 CG TYR A 445 10.418 -2.463 0.749 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.477 -3.276 -0.402 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.568 -1.067 0.602 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.724 -2.716 -1.665 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.817 -0.497 -0.663 1.00 0.00 C ATOM 87 CZ TYR A 445 10.918 -1.327 -1.804 1.00 0.00 C ATOM 88 OH TYR A 445 11.202 -0.835 -3.039 1.00 0.00 O ATOM 0 H TYR A 445 11.443 -4.989 1.139 1.00 0.00 H new ATOM 0 HA TYR A 445 11.771 -3.157 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.216 -3.748 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.717 -2.273 2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.330 -4.342 -0.310 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.491 -0.428 1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 445 10.766 -3.353 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.931 0.573 -0.761 1.00 0.00 H new ATOM 0 HH TYR A 445 10.785 -1.402 -3.721 1.00 0.00 H new ATOM 98 N SER A 446 10.010 -4.249 5.000 1.00 0.00 N ATOM 99 CA SER A 446 9.326 -4.969 6.070 1.00 0.00 C ATOM 100 C SER A 446 7.910 -5.343 5.601 1.00 0.00 C ATOM 101 O SER A 446 7.558 -5.129 4.432 1.00 0.00 O ATOM 102 CB SER A 446 9.298 -4.094 7.326 1.00 0.00 C ATOM 103 OG SER A 446 8.737 -2.847 6.997 1.00 0.00 O ATOM 0 H SER A 446 10.086 -3.249 5.184 1.00 0.00 H new ATOM 0 HA SER A 446 9.854 -5.891 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 446 8.713 -4.576 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 446 10.307 -3.963 7.717 1.00 0.00 H new ATOM 0 HG SER A 446 8.148 -2.552 7.722 1.00 0.00 H new ATOM 109 N ASN A 447 7.107 -5.980 6.456 1.00 0.00 N ATOM 110 CA ASN A 447 5.749 -6.339 6.061 1.00 0.00 C ATOM 111 C ASN A 447 4.893 -5.072 6.012 1.00 0.00 C ATOM 112 O ASN A 447 5.099 -4.151 6.804 1.00 0.00 O ATOM 113 CB ASN A 447 5.147 -7.388 7.004 1.00 0.00 C ATOM 114 CG ASN A 447 3.821 -7.911 6.472 1.00 0.00 C ATOM 115 OD1 ASN A 447 2.809 -7.901 7.168 1.00 0.00 O ATOM 116 ND2 ASN A 447 3.801 -8.384 5.237 1.00 0.00 N ATOM 0 H ASN A 447 7.367 -6.251 7.404 1.00 0.00 H new ATOM 0 HA ASN A 447 5.774 -6.792 5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.845 -8.216 7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 447 4.998 -6.951 7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 447 2.933 -8.750 4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 447 4.653 -8.383 4.677 1.00 0.00 H new ATOM 123 N TRP A 448 3.945 -5.011 5.083 1.00 0.00 N ATOM 124 CA TRP A 448 3.061 -3.868 4.911 1.00 0.00 C ATOM 125 C TRP A 448 2.271 -3.558 6.182 1.00 0.00 C ATOM 126 O TRP A 448 1.757 -4.482 6.813 1.00 0.00 O ATOM 127 CB TRP A 448 2.095 -4.173 3.763 1.00 0.00 C ATOM 128 CG TRP A 448 2.641 -3.930 2.391 1.00 0.00 C ATOM 129 CD1 TRP A 448 2.851 -4.845 1.417 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.004 -2.651 1.809 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.299 -4.215 0.274 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.473 -2.865 0.479 1.00 0.00 C ATOM 133 CE3 TRP A 448 2.982 -1.328 2.288 1.00 0.00 C ATOM 134 CZ2 TRP A 448 3.968 -1.816 -0.306 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.400 -0.264 1.483 1.00 0.00 C ATOM 136 CH2 TRP A 448 3.899 -0.519 0.207 1.00 0.00 C ATOM 0 H TRP A 448 3.768 -5.766 4.420 1.00 0.00 H new ATOM 0 HA TRP A 448 3.667 -2.991 4.687 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.788 -5.216 3.835 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.198 -3.567 3.893 1.00 0.00 H new ATOM 0 HD1 TRP A 448 2.692 -5.908 1.519 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.479 -4.690 -0.611 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.637 -1.132 3.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.391 -2.005 -1.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.336 0.750 1.848 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.241 0.306 -0.400 1.00 0.00 H new ATOM 147 N SER A 449 2.209 -2.285 6.583 1.00 0.00 N ATOM 148 CA SER A 449 1.444 -1.863 7.753 1.00 0.00 C ATOM 149 C SER A 449 -0.047 -2.021 7.426 1.00 0.00 C ATOM 150 O SER A 449 -0.400 -2.087 6.244 1.00 0.00 O ATOM 151 CB SER A 449 1.719 -0.382 8.051 1.00 0.00 C ATOM 152 OG SER A 449 3.070 -0.196 8.422 1.00 0.00 O ATOM 0 H SER A 449 2.688 -1.522 6.105 1.00 0.00 H new ATOM 0 HA SER A 449 1.727 -2.466 8.616 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.490 0.221 7.172 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.065 -0.038 8.852 1.00 0.00 H new ATOM 0 HG SER A 449 3.594 0.056 7.633 1.00 0.00 H new ATOM 158 N PRO A 450 -0.929 -2.044 8.438 1.00 0.00 N ATOM 159 CA PRO A 450 -2.353 -2.173 8.195 1.00 0.00 C ATOM 160 C PRO A 450 -2.843 -0.970 7.399 1.00 0.00 C ATOM 161 O PRO A 450 -2.386 0.156 7.609 1.00 0.00 O ATOM 162 CB PRO A 450 -3.020 -2.229 9.573 1.00 0.00 C ATOM 163 CG PRO A 450 -1.985 -1.621 10.514 1.00 0.00 C ATOM 164 CD PRO A 450 -0.654 -1.979 9.862 1.00 0.00 C ATOM 0 HA PRO A 450 -2.591 -3.066 7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -3.952 -1.664 9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.263 -3.253 9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.110 -0.542 10.604 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.064 -2.036 11.519 1.00 0.00 H new ATOM 0 HD2 PRO A 450 0.106 -1.229 10.082 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.278 -2.932 10.234 1.00 0.00 H new ATOM 172 N TRP A 451 -3.806 -1.211 6.513 1.00 0.00 N ATOM 173 CA TRP A 451 -4.390 -0.169 5.696 1.00 0.00 C ATOM 174 C TRP A 451 -5.039 0.876 6.591 1.00 0.00 C ATOM 175 O TRP A 451 -5.679 0.525 7.591 1.00 0.00 O ATOM 176 CB TRP A 451 -5.494 -0.772 4.822 1.00 0.00 C ATOM 177 CG TRP A 451 -5.047 -1.444 3.568 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.198 -2.751 3.259 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.347 -0.845 2.443 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.618 -3.001 2.032 1.00 0.00 N ATOM 181 CE2 TRP A 451 -4.060 -1.863 1.492 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.894 0.455 2.154 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.306 -1.607 0.341 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.189 0.740 0.975 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.861 -0.296 0.091 1.00 0.00 C ATOM 0 H TRP A 451 -4.199 -2.138 6.347 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.608 0.280 5.084 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.048 -1.496 5.420 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.192 0.022 4.555 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.695 -3.485 3.876 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.604 -3.916 1.581 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.093 1.252 2.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -3.069 -2.406 -0.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.900 1.756 0.749 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.265 -0.088 -0.785 1.00 0.00 H new ATOM 196 N SER A 452 -4.921 2.145 6.221 1.00 0.00 N ATOM 197 CA SER A 452 -5.528 3.227 6.951 1.00 0.00 C ATOM 198 C SER A 452 -7.024 3.185 6.653 1.00 0.00 C ATOM 199 O SER A 452 -7.530 2.291 5.958 1.00 0.00 O ATOM 200 CB SER A 452 -4.915 4.550 6.476 1.00 0.00 C ATOM 201 OG SER A 452 -5.190 4.794 5.108 1.00 0.00 O ATOM 0 H SER A 452 -4.396 2.444 5.399 1.00 0.00 H new ATOM 0 HA SER A 452 -5.359 3.138 8.024 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.308 5.370 7.078 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.836 4.528 6.632 1.00 0.00 H new ATOM 0 HG SER A 452 -5.237 5.760 4.951 1.00 0.00 H new ATOM 207 N ALA A 453 -7.749 4.149 7.200 1.00 0.00 N ATOM 208 CA ALA A 453 -9.166 4.257 6.964 1.00 0.00 C ATOM 209 C ALA A 453 -9.409 4.396 5.462 1.00 0.00 C ATOM 210 O ALA A 453 -8.584 4.952 4.730 1.00 0.00 O ATOM 211 CB ALA A 453 -9.638 5.508 7.665 1.00 0.00 C ATOM 0 H ALA A 453 -7.368 4.869 7.814 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.698 3.380 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.710 5.629 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.431 5.427 8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.114 6.373 7.258 1.00 0.00 H new ATOM 217 N CYS A 454 -10.531 3.858 5.001 1.00 0.00 N ATOM 218 CA CYS A 454 -10.877 3.939 3.600 1.00 0.00 C ATOM 219 C CYS A 454 -11.262 5.381 3.287 1.00 0.00 C ATOM 220 O CYS A 454 -12.185 5.907 3.912 1.00 0.00 O ATOM 221 CB CYS A 454 -12.060 3.014 3.328 1.00 0.00 C ATOM 222 SG CYS A 454 -12.381 2.685 1.587 1.00 0.00 S ATOM 0 H CYS A 454 -11.210 3.364 5.580 1.00 0.00 H new ATOM 0 HA CYS A 454 -10.036 3.637 2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -11.885 2.065 3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.954 3.452 3.771 1.00 0.00 H new ATOM 227 N SER A 455 -10.621 5.989 2.282 1.00 0.00 N ATOM 228 CA SER A 455 -10.895 7.357 1.843 1.00 0.00 C ATOM 229 C SER A 455 -12.391 7.487 1.476 1.00 0.00 C ATOM 230 O SER A 455 -12.917 8.598 1.434 1.00 0.00 O ATOM 231 CB SER A 455 -9.899 7.731 0.728 1.00 0.00 C ATOM 232 OG SER A 455 -9.878 9.097 0.377 1.00 0.00 O ATOM 0 H SER A 455 -9.884 5.533 1.743 1.00 0.00 H new ATOM 0 HA SER A 455 -10.734 8.087 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.898 7.438 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.137 7.147 -0.161 1.00 0.00 H new ATOM 0 HG SER A 455 -9.219 9.242 -0.334 1.00 0.00 H new ATOM 238 N SER A 456 -13.077 6.373 1.164 1.00 0.00 N ATOM 239 CA SER A 456 -14.507 6.376 0.888 1.00 0.00 C ATOM 240 C SER A 456 -15.149 5.652 2.062 1.00 0.00 C ATOM 241 O SER A 456 -14.964 4.443 2.215 1.00 0.00 O ATOM 242 CB SER A 456 -14.918 5.660 -0.401 1.00 0.00 C ATOM 243 OG SER A 456 -16.230 6.003 -0.769 1.00 0.00 O ATOM 0 H SER A 456 -12.647 5.450 1.099 1.00 0.00 H new ATOM 0 HA SER A 456 -14.826 7.410 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.230 5.925 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 456 -14.845 4.581 -0.262 1.00 0.00 H new ATOM 0 HG SER A 456 -16.585 5.327 -1.383 1.00 0.00 H new ATOM 249 N SER A 457 -15.860 6.381 2.915 1.00 0.00 N ATOM 250 CA SER A 457 -16.560 5.773 4.040 1.00 0.00 C ATOM 251 C SER A 457 -17.935 5.279 3.542 1.00 0.00 C ATOM 252 O SER A 457 -18.785 4.917 4.353 1.00 0.00 O ATOM 253 CB SER A 457 -16.642 6.743 5.230 1.00 0.00 C ATOM 254 OG SER A 457 -16.435 6.058 6.456 1.00 0.00 O ATOM 0 H SER A 457 -15.967 7.393 2.849 1.00 0.00 H new ATOM 0 HA SER A 457 -16.011 4.911 4.419 1.00 0.00 H new ATOM 0 HB2 SER A 457 -15.895 7.528 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.617 7.230 5.241 1.00 0.00 H new ATOM 0 HG SER A 457 -16.490 6.694 7.199 1.00 0.00 H new ATOM 260 N THR A 458 -18.168 5.273 2.225 1.00 0.00 N ATOM 261 CA THR A 458 -19.381 4.864 1.540 1.00 0.00 C ATOM 262 C THR A 458 -19.023 3.824 0.487 1.00 0.00 C ATOM 263 O THR A 458 -17.847 3.669 0.148 1.00 0.00 O ATOM 264 CB THR A 458 -20.037 6.112 0.917 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.066 6.837 0.183 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.614 7.028 1.993 1.00 0.00 C ATOM 0 H THR A 458 -17.452 5.580 1.566 1.00 0.00 H new ATOM 0 HA THR A 458 -20.094 4.413 2.230 1.00 0.00 H new ATOM 0 HB THR A 458 -20.845 5.779 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 458 -18.345 6.233 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.070 7.899 1.523 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.369 6.488 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.816 7.352 2.661 1.00 0.00 H new ATOM 274 N CYS A 459 -20.004 3.106 -0.067 1.00 0.00 N ATOM 275 CA CYS A 459 -19.752 2.083 -1.083 1.00 0.00 C ATOM 276 C CYS A 459 -19.140 2.651 -2.363 1.00 0.00 C ATOM 277 O CYS A 459 -18.751 1.881 -3.244 1.00 0.00 O ATOM 278 CB CYS A 459 -20.997 1.227 -1.338 1.00 0.00 C ATOM 279 SG CYS A 459 -21.589 0.308 0.114 1.00 0.00 S ATOM 0 H CYS A 459 -20.989 3.217 0.175 1.00 0.00 H new ATOM 0 HA CYS A 459 -18.991 1.416 -0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.799 1.872 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -20.778 0.518 -2.137 1.00 0.00 H new ATOM 284 N GLU A 460 -19.064 3.978 -2.484 1.00 0.00 N ATOM 285 CA GLU A 460 -18.448 4.637 -3.614 1.00 0.00 C ATOM 286 C GLU A 460 -16.976 4.221 -3.595 1.00 0.00 C ATOM 287 O GLU A 460 -16.426 3.849 -2.548 1.00 0.00 O ATOM 288 CB GLU A 460 -18.583 6.158 -3.482 1.00 0.00 C ATOM 289 CG GLU A 460 -20.041 6.583 -3.662 1.00 0.00 C ATOM 290 CD GLU A 460 -20.255 8.098 -3.652 1.00 0.00 C ATOM 291 OE1 GLU A 460 -19.369 8.870 -3.218 1.00 0.00 O ATOM 292 OE2 GLU A 460 -21.375 8.516 -4.029 1.00 0.00 O ATOM 0 H GLU A 460 -19.436 4.623 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.926 4.355 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.223 6.478 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.959 6.651 -4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.412 6.181 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.639 6.137 -2.867 1.00 0.00 H new ATOM 299 N LYS A 461 -16.317 4.250 -4.750 1.00 0.00 N ATOM 300 CA LYS A 461 -14.921 3.857 -4.783 1.00 0.00 C ATOM 301 C LYS A 461 -14.095 4.846 -3.983 1.00 0.00 C ATOM 302 O LYS A 461 -14.358 6.052 -3.968 1.00 0.00 O ATOM 303 CB LYS A 461 -14.420 3.782 -6.230 1.00 0.00 C ATOM 304 CG LYS A 461 -14.966 2.578 -7.003 1.00 0.00 C ATOM 305 CD LYS A 461 -14.368 1.270 -6.483 1.00 0.00 C ATOM 306 CE LYS A 461 -14.604 0.127 -7.472 1.00 0.00 C ATOM 307 NZ LYS A 461 -13.476 -0.828 -7.506 1.00 0.00 N ATOM 0 H LYS A 461 -16.715 4.532 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.818 2.868 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -14.701 4.697 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.331 3.739 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.052 2.546 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -14.738 2.689 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.298 1.396 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -14.813 1.020 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -15.517 -0.403 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -14.759 0.539 -8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -13.682 -1.584 -8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -12.608 -0.330 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -13.343 -1.242 -6.561 1.00 0.00 H new ATOM 321 N GLY A 462 -13.052 4.326 -3.360 1.00 0.00 N ATOM 322 CA GLY A 462 -12.114 5.064 -2.543 1.00 0.00 C ATOM 323 C GLY A 462 -10.767 4.381 -2.588 1.00 0.00 C ATOM 324 O GLY A 462 -10.532 3.478 -3.399 1.00 0.00 O ATOM 0 H GLY A 462 -12.829 3.332 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.027 6.089 -2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.473 5.118 -1.515 1.00 0.00 H new ATOM 328 N LYS A 463 -9.877 4.794 -1.693 1.00 0.00 N ATOM 329 CA LYS A 463 -8.538 4.246 -1.568 1.00 0.00 C ATOM 330 C LYS A 463 -8.074 4.278 -0.133 1.00 0.00 C ATOM 331 O LYS A 463 -8.491 5.135 0.635 1.00 0.00 O ATOM 332 CB LYS A 463 -7.532 5.073 -2.393 1.00 0.00 C ATOM 333 CG LYS A 463 -7.409 4.642 -3.864 1.00 0.00 C ATOM 334 CD LYS A 463 -5.930 4.677 -4.261 1.00 0.00 C ATOM 335 CE LYS A 463 -5.683 4.288 -5.714 1.00 0.00 C ATOM 336 NZ LYS A 463 -4.249 4.351 -6.066 1.00 0.00 N ATOM 0 H LYS A 463 -10.074 5.536 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.580 3.219 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.827 6.122 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.551 5.002 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -7.813 3.639 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -7.988 5.308 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -5.539 5.680 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.371 4.002 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -6.055 3.278 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -6.247 4.953 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -4.127 4.112 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -3.891 5.312 -5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -3.718 3.673 -5.482 1.00 0.00 H new ATOM 350 N ARG A 464 -7.257 3.305 0.244 1.00 0.00 N ATOM 351 CA ARG A 464 -6.653 3.236 1.569 1.00 0.00 C ATOM 352 C ARG A 464 -5.189 3.619 1.345 1.00 0.00 C ATOM 353 O ARG A 464 -4.724 3.631 0.201 1.00 0.00 O ATOM 354 CB ARG A 464 -6.761 1.824 2.136 1.00 0.00 C ATOM 355 CG ARG A 464 -8.200 1.421 2.417 1.00 0.00 C ATOM 356 CD ARG A 464 -8.371 -0.100 2.471 1.00 0.00 C ATOM 357 NE ARG A 464 -8.159 -0.774 1.179 1.00 0.00 N ATOM 358 CZ ARG A 464 -8.318 -2.084 0.962 1.00 0.00 C ATOM 359 NH1 ARG A 464 -8.665 -2.918 1.941 1.00 0.00 N ATOM 360 NH2 ARG A 464 -8.130 -2.552 -0.261 1.00 0.00 N ATOM 0 H ARG A 464 -6.991 2.533 -0.367 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.147 3.893 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -6.320 1.118 1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.182 1.760 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.519 1.855 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.849 1.831 1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.672 -0.508 3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -9.375 -0.330 2.828 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.869 -0.198 0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -8.816 -2.562 2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -8.779 -3.913 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -7.869 -1.917 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -8.246 -3.548 -0.449 1.00 0.00 H new ATOM 374 N MET A 465 -4.441 3.871 2.411 1.00 0.00 N ATOM 375 CA MET A 465 -3.032 4.235 2.358 1.00 0.00 C ATOM 376 C MET A 465 -2.295 3.336 3.346 1.00 0.00 C ATOM 377 O MET A 465 -2.836 3.021 4.412 1.00 0.00 O ATOM 378 CB MET A 465 -2.906 5.708 2.763 1.00 0.00 C ATOM 379 CG MET A 465 -1.493 6.292 2.690 1.00 0.00 C ATOM 380 SD MET A 465 -1.285 7.681 3.832 1.00 0.00 S ATOM 381 CE MET A 465 -0.551 8.939 2.753 1.00 0.00 C ATOM 0 H MET A 465 -4.808 3.827 3.362 1.00 0.00 H new ATOM 0 HA MET A 465 -2.609 4.107 1.362 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.559 6.300 2.122 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.274 5.819 3.783 1.00 0.00 H new ATOM 0 HG2 MET A 465 -0.765 5.515 2.925 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.288 6.624 1.672 1.00 0.00 H new ATOM 0 HE1 MET A 465 -0.207 9.779 3.356 1.00 0.00 H new ATOM 0 HE2 MET A 465 0.294 8.509 2.215 1.00 0.00 H new ATOM 0 HE3 MET A 465 -1.298 9.286 2.039 1.00 0.00 H new ATOM 391 N ARG A 466 -1.095 2.876 3.004 1.00 0.00 N ATOM 392 CA ARG A 466 -0.280 2.043 3.880 1.00 0.00 C ATOM 393 C ARG A 466 1.175 2.311 3.549 1.00 0.00 C ATOM 394 O ARG A 466 1.499 2.716 2.432 1.00 0.00 O ATOM 395 CB ARG A 466 -0.626 0.546 3.749 1.00 0.00 C ATOM 396 CG ARG A 466 -0.245 -0.066 2.394 1.00 0.00 C ATOM 397 CD ARG A 466 -0.596 -1.556 2.345 1.00 0.00 C ATOM 398 NE ARG A 466 -0.279 -2.152 1.033 1.00 0.00 N ATOM 399 CZ ARG A 466 -0.421 -3.435 0.685 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.864 -4.329 1.553 1.00 0.00 N ATOM 401 NH2 ARG A 466 -0.132 -3.802 -0.556 1.00 0.00 N ATOM 0 H ARG A 466 -0.658 3.073 2.104 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.483 2.299 4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.118 -0.005 4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.697 0.416 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.766 0.460 1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.823 0.065 2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 466 -0.048 -2.084 3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.657 -1.686 2.556 1.00 0.00 H new ATOM 0 HE ARG A 466 0.085 -1.521 0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -1.103 -4.043 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.967 -5.304 1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.194 -3.109 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 466 -0.235 -4.777 -0.837 1.00 0.00 H new ATOM 415 N GLN A 467 2.061 2.019 4.489 1.00 0.00 N ATOM 416 CA GLN A 467 3.489 2.198 4.323 1.00 0.00 C ATOM 417 C GLN A 467 4.207 1.104 5.086 1.00 0.00 C ATOM 418 O GLN A 467 3.610 0.358 5.866 1.00 0.00 O ATOM 419 CB GLN A 467 3.920 3.629 4.690 1.00 0.00 C ATOM 420 CG GLN A 467 3.656 4.086 6.134 1.00 0.00 C ATOM 421 CD GLN A 467 3.793 5.605 6.281 1.00 0.00 C ATOM 422 OE1 GLN A 467 3.974 6.353 5.316 1.00 0.00 O ATOM 423 NE2 GLN A 467 3.717 6.126 7.490 1.00 0.00 N ATOM 0 H GLN A 467 1.800 1.645 5.402 1.00 0.00 H new ATOM 0 HA GLN A 467 3.772 2.095 3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.988 3.722 4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.411 4.320 4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 467 2.654 3.780 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 467 4.356 3.591 6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 467 3.568 5.521 8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 467 3.807 7.134 7.618 1.00 0.00 H new ATOM 432 N ARG A 468 5.494 0.980 4.831 1.00 0.00 N ATOM 433 CA ARG A 468 6.384 0.010 5.458 1.00 0.00 C ATOM 434 C ARG A 468 7.764 0.636 5.573 1.00 0.00 C ATOM 435 O ARG A 468 8.023 1.702 5.004 1.00 0.00 O ATOM 436 CB ARG A 468 6.407 -1.299 4.644 1.00 0.00 C ATOM 437 CG ARG A 468 6.961 -1.089 3.230 1.00 0.00 C ATOM 438 CD ARG A 468 6.730 -2.321 2.342 1.00 0.00 C ATOM 439 NE ARG A 468 7.302 -2.214 0.977 1.00 0.00 N ATOM 440 CZ ARG A 468 7.198 -1.270 0.053 1.00 0.00 C ATOM 441 NH1 ARG A 468 6.569 -0.176 0.356 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.718 -1.405 -1.158 1.00 0.00 N ATOM 0 H ARG A 468 5.973 1.574 4.154 1.00 0.00 H new ATOM 0 HA ARG A 468 6.030 -0.248 6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 468 7.015 -2.039 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.397 -1.704 4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.484 -0.219 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 468 8.028 -0.875 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.160 -3.193 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.658 -2.497 2.260 1.00 0.00 H new ATOM 0 HE ARG A 468 7.878 -3.009 0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 468 6.169 -0.059 1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 468 6.475 0.567 -0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 468 8.219 -2.258 -1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.617 -0.656 -1.843 1.00 0.00 H new ATOM 456 N MET A 469 8.637 -0.028 6.309 1.00 0.00 N ATOM 457 CA MET A 469 10.006 0.383 6.541 1.00 0.00 C ATOM 458 C MET A 469 10.899 -0.409 5.588 1.00 0.00 C ATOM 459 O MET A 469 10.515 -1.447 5.041 1.00 0.00 O ATOM 460 CB MET A 469 10.370 0.143 8.019 1.00 0.00 C ATOM 461 CG MET A 469 9.461 0.964 8.945 1.00 0.00 C ATOM 462 SD MET A 469 9.822 0.829 10.719 1.00 0.00 S ATOM 463 CE MET A 469 8.147 0.702 11.413 1.00 0.00 C ATOM 0 H MET A 469 8.400 -0.902 6.779 1.00 0.00 H new ATOM 0 HA MET A 469 10.144 1.447 6.347 1.00 0.00 H new ATOM 0 HB2 MET A 469 10.274 -0.917 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 469 11.412 0.415 8.190 1.00 0.00 H new ATOM 0 HG2 MET A 469 9.531 2.013 8.657 1.00 0.00 H new ATOM 0 HG3 MET A 469 8.429 0.656 8.778 1.00 0.00 H new ATOM 0 HE1 MET A 469 8.208 0.613 12.498 1.00 0.00 H new ATOM 0 HE2 MET A 469 7.577 1.594 11.154 1.00 0.00 H new ATOM 0 HE3 MET A 469 7.650 -0.178 11.004 1.00 0.00 H new ATOM 473 N LEU A 470 12.107 0.086 5.359 1.00 0.00 N ATOM 474 CA LEU A 470 13.104 -0.524 4.499 1.00 0.00 C ATOM 475 C LEU A 470 14.031 -1.303 5.429 1.00 0.00 C ATOM 476 O LEU A 470 14.700 -0.711 6.273 1.00 0.00 O ATOM 477 CB LEU A 470 13.784 0.573 3.660 1.00 0.00 C ATOM 478 CG LEU A 470 14.836 0.102 2.640 1.00 0.00 C ATOM 479 CD1 LEU A 470 16.122 -0.374 3.312 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.287 -0.984 1.707 1.00 0.00 C ATOM 0 H LEU A 470 12.429 0.956 5.784 1.00 0.00 H new ATOM 0 HA LEU A 470 12.699 -1.220 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 470 13.010 1.122 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.260 1.278 4.341 1.00 0.00 H new ATOM 0 HG LEU A 470 15.080 0.975 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.833 -0.696 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.554 0.443 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.898 -1.209 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 470 15.063 -1.286 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.975 -1.846 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.432 -0.592 1.156 1.00 0.00 H new ATOM 492 N LYS A 471 14.000 -2.637 5.360 1.00 0.00 N ATOM 493 CA LYS A 471 14.835 -3.502 6.194 1.00 0.00 C ATOM 494 C LYS A 471 16.269 -3.527 5.672 1.00 0.00 C ATOM 495 O LYS A 471 17.208 -3.399 6.456 1.00 0.00 O ATOM 496 CB LYS A 471 14.279 -4.931 6.223 1.00 0.00 C ATOM 497 CG LYS A 471 13.033 -5.092 7.097 1.00 0.00 C ATOM 498 CD LYS A 471 12.877 -6.554 7.529 1.00 0.00 C ATOM 499 CE LYS A 471 12.864 -7.599 6.401 1.00 0.00 C ATOM 500 NZ LYS A 471 11.598 -7.740 5.652 1.00 0.00 N ATOM 0 H LYS A 471 13.392 -3.148 4.721 1.00 0.00 H new ATOM 0 HA LYS A 471 14.828 -3.097 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.039 -5.238 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.055 -5.605 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.111 -4.452 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.149 -4.771 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 471 13.691 -6.798 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.949 -6.647 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 471 13.654 -7.348 5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.117 -8.568 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 11.636 -8.597 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 10.805 -7.814 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 11.461 -6.908 5.043 1.00 0.00 H new ATOM 514 N ALA A 472 16.459 -3.761 4.375 1.00 0.00 N ATOM 515 CA ALA A 472 17.763 -3.807 3.732 1.00 0.00 C ATOM 516 C ALA A 472 17.623 -3.337 2.290 1.00 0.00 C ATOM 517 O ALA A 472 16.526 -3.331 1.739 1.00 0.00 O ATOM 518 CB ALA A 472 18.304 -5.245 3.790 1.00 0.00 C ATOM 0 H ALA A 472 15.688 -3.928 3.729 1.00 0.00 H new ATOM 0 HA ALA A 472 18.465 -3.151 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.281 -5.286 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.398 -5.557 4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.617 -5.914 3.272 1.00 0.00 H new ATOM 524 N GLN A 473 18.729 -2.932 1.679 1.00 0.00 N ATOM 525 CA GLN A 473 18.801 -2.471 0.299 1.00 0.00 C ATOM 526 C GLN A 473 20.137 -2.962 -0.240 1.00 0.00 C ATOM 527 O GLN A 473 21.133 -2.952 0.488 1.00 0.00 O ATOM 528 CB GLN A 473 18.611 -0.946 0.200 1.00 0.00 C ATOM 529 CG GLN A 473 19.694 -0.108 0.890 1.00 0.00 C ATOM 530 CD GLN A 473 19.217 1.325 1.119 1.00 0.00 C ATOM 531 OE1 GLN A 473 18.635 1.637 2.153 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.436 2.224 0.182 1.00 0.00 N ATOM 0 H GLN A 473 19.634 -2.915 2.149 1.00 0.00 H new ATOM 0 HA GLN A 473 17.991 -2.875 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.575 -0.668 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.644 -0.687 0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 473 19.958 -0.564 1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.597 -0.101 0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.920 1.959 -0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.121 3.185 0.314 1.00 0.00 H new ATOM 541 N LEU A 474 20.150 -3.457 -1.472 1.00 0.00 N ATOM 542 CA LEU A 474 21.367 -3.970 -2.107 1.00 0.00 C ATOM 543 C LEU A 474 22.191 -2.837 -2.718 1.00 0.00 C ATOM 544 O LEU A 474 23.223 -3.069 -3.340 1.00 0.00 O ATOM 545 CB LEU A 474 21.036 -5.030 -3.150 1.00 0.00 C ATOM 546 CG LEU A 474 20.018 -6.094 -2.708 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.908 -7.089 -3.853 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.338 -6.827 -1.408 1.00 0.00 C ATOM 0 H LEU A 474 19.320 -3.516 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 474 21.972 -4.441 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.652 -4.532 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.959 -5.532 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 474 19.084 -5.577 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.194 -7.869 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.567 -6.574 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 474 20.884 -7.538 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 474 19.552 -7.552 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 474 21.292 -7.344 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 474 20.398 -6.109 -0.591 1.00 0.00 H new ATOM 560 N ASP A 475 21.701 -1.611 -2.580 1.00 0.00 N ATOM 561 CA ASP A 475 22.337 -0.395 -3.045 1.00 0.00 C ATOM 562 C ASP A 475 22.167 0.670 -1.972 1.00 0.00 C ATOM 563 O ASP A 475 21.143 1.348 -1.920 1.00 0.00 O ATOM 564 CB ASP A 475 21.773 0.051 -4.392 1.00 0.00 C ATOM 565 CG ASP A 475 22.636 1.142 -5.021 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.375 1.873 -4.318 1.00 0.00 O ATOM 567 OD2 ASP A 475 22.677 1.189 -6.267 1.00 0.00 O ATOM 0 H ASP A 475 20.808 -1.435 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 475 23.400 -0.572 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 475 21.716 -0.804 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 475 20.756 0.420 -4.259 1.00 0.00 H new ATOM 572 N LEU A 476 23.141 0.794 -1.068 1.00 0.00 N ATOM 573 CA LEU A 476 23.093 1.776 0.019 1.00 0.00 C ATOM 574 C LEU A 476 23.102 3.227 -0.490 1.00 0.00 C ATOM 575 O LEU A 476 22.829 4.128 0.307 1.00 0.00 O ATOM 576 CB LEU A 476 24.243 1.533 1.023 1.00 0.00 C ATOM 577 CG LEU A 476 23.960 0.513 2.146 1.00 0.00 C ATOM 578 CD1 LEU A 476 22.856 0.986 3.105 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.622 -0.894 1.640 1.00 0.00 C ATOM 0 H LEU A 476 23.983 0.219 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 476 22.142 1.635 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.118 1.197 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.504 2.486 1.483 1.00 0.00 H new ATOM 0 HG LEU A 476 24.904 0.449 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 476 22.696 0.232 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.157 1.924 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 476 21.931 1.138 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.436 -1.551 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.731 -0.851 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.458 -1.282 1.057 1.00 0.00 H new ATOM 591 N SER A 477 23.407 3.465 -1.772 1.00 0.00 N ATOM 592 CA SER A 477 23.446 4.783 -2.392 1.00 0.00 C ATOM 593 C SER A 477 22.142 5.133 -3.107 1.00 0.00 C ATOM 594 O SER A 477 21.957 6.272 -3.551 1.00 0.00 O ATOM 595 CB SER A 477 24.623 4.843 -3.378 1.00 0.00 C ATOM 596 OG SER A 477 25.491 5.907 -3.039 1.00 0.00 O ATOM 0 H SER A 477 23.640 2.715 -2.423 1.00 0.00 H new ATOM 0 HA SER A 477 23.578 5.520 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 477 25.169 3.900 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.250 4.978 -4.393 1.00 0.00 H new ATOM 0 HG SER A 477 26.238 5.934 -3.673 1.00 0.00 H new ATOM 602 N VAL A 478 21.218 4.187 -3.219 1.00 0.00 N ATOM 603 CA VAL A 478 19.950 4.382 -3.889 1.00 0.00 C ATOM 604 C VAL A 478 18.883 3.966 -2.888 1.00 0.00 C ATOM 605 O VAL A 478 18.674 2.768 -2.697 1.00 0.00 O ATOM 606 CB VAL A 478 19.967 3.602 -5.208 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.606 3.636 -5.916 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.048 4.179 -6.139 1.00 0.00 C ATOM 0 H VAL A 478 21.336 3.248 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 478 19.742 5.411 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 478 20.192 2.562 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.665 3.070 -6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.848 3.193 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.336 4.669 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.057 3.622 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.831 5.228 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.023 4.097 -5.659 1.00 0.00 H new ATOM 618 N PRO A 479 18.269 4.929 -2.177 1.00 0.00 N ATOM 619 CA PRO A 479 17.250 4.606 -1.205 1.00 0.00 C ATOM 620 C PRO A 479 16.035 3.980 -1.872 1.00 0.00 C ATOM 621 O PRO A 479 15.868 3.998 -3.099 1.00 0.00 O ATOM 622 CB PRO A 479 16.902 5.915 -0.495 1.00 0.00 C ATOM 623 CG PRO A 479 17.272 6.989 -1.513 1.00 0.00 C ATOM 624 CD PRO A 479 18.428 6.373 -2.296 1.00 0.00 C ATOM 0 HA PRO A 479 17.606 3.866 -0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.845 5.959 -0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.465 6.030 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.431 7.228 -2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.570 7.916 -1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.401 6.684 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.388 6.695 -1.892 1.00 0.00 H new ATOM 632 N CYS A 480 15.133 3.509 -1.018 1.00 0.00 N ATOM 633 CA CYS A 480 13.914 2.864 -1.445 1.00 0.00 C ATOM 634 C CYS A 480 12.672 3.692 -1.095 1.00 0.00 C ATOM 635 O CYS A 480 12.053 3.441 -0.062 1.00 0.00 O ATOM 636 CB CYS A 480 13.910 1.439 -0.887 1.00 0.00 C ATOM 637 SG CYS A 480 15.404 0.476 -1.270 1.00 0.00 S ATOM 0 H CYS A 480 15.235 3.568 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 480 13.875 2.796 -2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.791 1.486 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.042 0.911 -1.280 1.00 0.00 H new ATOM 642 N PRO A 481 12.275 4.665 -1.938 1.00 0.00 N ATOM 643 CA PRO A 481 11.107 5.524 -1.728 1.00 0.00 C ATOM 644 C PRO A 481 9.762 4.823 -1.972 1.00 0.00 C ATOM 645 O PRO A 481 8.718 5.433 -1.734 1.00 0.00 O ATOM 646 CB PRO A 481 11.283 6.666 -2.735 1.00 0.00 C ATOM 647 CG PRO A 481 11.997 5.980 -3.897 1.00 0.00 C ATOM 648 CD PRO A 481 12.946 5.047 -3.173 1.00 0.00 C ATOM 0 HA PRO A 481 11.067 5.847 -0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.326 7.088 -3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.874 7.483 -2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.303 5.439 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.527 6.693 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.171 4.171 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.895 5.542 -2.964 1.00 0.00 H new ATOM 656 N ASP A 482 9.736 3.570 -2.440 1.00 0.00 N ATOM 657 CA ASP A 482 8.492 2.827 -2.706 1.00 0.00 C ATOM 658 C ASP A 482 7.768 2.409 -1.438 1.00 0.00 C ATOM 659 O ASP A 482 6.809 1.656 -1.507 1.00 0.00 O ATOM 660 CB ASP A 482 8.768 1.553 -3.526 1.00 0.00 C ATOM 661 CG ASP A 482 9.013 1.859 -4.998 1.00 0.00 C ATOM 662 OD1 ASP A 482 8.041 1.910 -5.784 1.00 0.00 O ATOM 663 OD2 ASP A 482 10.197 2.034 -5.376 1.00 0.00 O ATOM 0 H ASP A 482 10.581 3.037 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 482 7.860 3.518 -3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.636 1.039 -3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.921 0.873 -3.434 1.00 0.00 H new ATOM 668 N THR A 483 8.249 2.815 -0.274 1.00 0.00 N ATOM 669 CA THR A 483 7.800 2.554 1.088 1.00 0.00 C ATOM 670 C THR A 483 6.331 2.830 1.388 1.00 0.00 C ATOM 671 O THR A 483 5.892 2.466 2.473 1.00 0.00 O ATOM 672 CB THR A 483 8.784 3.296 2.021 1.00 0.00 C ATOM 673 OG1 THR A 483 9.333 4.468 1.432 1.00 0.00 O ATOM 674 CG2 THR A 483 9.983 2.362 2.198 1.00 0.00 C ATOM 0 H THR A 483 9.073 3.415 -0.260 1.00 0.00 H new ATOM 0 HA THR A 483 7.824 1.478 1.260 1.00 0.00 H new ATOM 0 HB THR A 483 8.247 3.564 2.931 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.946 4.896 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.718 2.833 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.651 1.424 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.436 2.163 1.227 1.00 0.00 H new ATOM 682 N GLN A 484 5.561 3.340 0.436 1.00 0.00 N ATOM 683 CA GLN A 484 4.147 3.674 0.555 1.00 0.00 C ATOM 684 C GLN A 484 3.350 3.066 -0.605 1.00 0.00 C ATOM 685 O GLN A 484 3.877 2.916 -1.706 1.00 0.00 O ATOM 686 CB GLN A 484 4.002 5.206 0.640 1.00 0.00 C ATOM 687 CG GLN A 484 5.042 5.988 -0.190 1.00 0.00 C ATOM 688 CD GLN A 484 4.878 7.488 -0.021 1.00 0.00 C ATOM 689 OE1 GLN A 484 4.224 8.147 -0.824 1.00 0.00 O ATOM 690 NE2 GLN A 484 5.470 8.058 1.013 1.00 0.00 N ATOM 0 H GLN A 484 5.927 3.544 -0.494 1.00 0.00 H new ATOM 0 HA GLN A 484 3.732 3.245 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 484 3.003 5.484 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 484 4.084 5.510 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 484 6.047 5.695 0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.939 5.726 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 484 6.009 7.492 1.668 1.00 0.00 H new ATOM 0 HE22 GLN A 484 5.388 9.065 1.156 1.00 0.00 H new ATOM 699 N ASP A 485 2.090 2.706 -0.355 1.00 0.00 N ATOM 700 CA ASP A 485 1.152 2.111 -1.325 1.00 0.00 C ATOM 701 C ASP A 485 -0.267 2.628 -1.077 1.00 0.00 C ATOM 702 O ASP A 485 -0.620 2.963 0.058 1.00 0.00 O ATOM 703 CB ASP A 485 1.178 0.584 -1.188 1.00 0.00 C ATOM 704 CG ASP A 485 0.268 -0.210 -2.129 1.00 0.00 C ATOM 705 OD1 ASP A 485 -0.138 0.248 -3.218 1.00 0.00 O ATOM 706 OD2 ASP A 485 -0.020 -1.373 -1.775 1.00 0.00 O ATOM 0 H ASP A 485 1.671 2.824 0.568 1.00 0.00 H new ATOM 0 HA ASP A 485 1.456 2.393 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.203 0.247 -1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.910 0.330 -0.162 1.00 0.00 H new ATOM 711 N PHE A 486 -1.089 2.674 -2.128 1.00 0.00 N ATOM 712 CA PHE A 486 -2.466 3.134 -2.117 1.00 0.00 C ATOM 713 C PHE A 486 -3.291 2.216 -3.019 1.00 0.00 C ATOM 714 O PHE A 486 -3.235 2.347 -4.240 1.00 0.00 O ATOM 715 CB PHE A 486 -2.551 4.568 -2.651 1.00 0.00 C ATOM 716 CG PHE A 486 -1.941 5.648 -1.800 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.556 5.891 -1.856 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.784 6.480 -1.043 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.009 6.984 -1.168 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.242 7.602 -0.395 1.00 0.00 C ATOM 721 CZ PHE A 486 -0.857 7.848 -0.459 1.00 0.00 C ATOM 0 H PHE A 486 -0.789 2.374 -3.056 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.847 3.114 -1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.071 4.595 -3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.602 4.811 -2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.085 5.237 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -3.838 6.259 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 486 1.057 7.159 -1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -2.886 8.275 0.151 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.443 8.710 0.043 1.00 0.00 H new ATOM 731 N GLN A 487 -4.046 1.278 -2.448 1.00 0.00 N ATOM 732 CA GLN A 487 -4.868 0.358 -3.230 1.00 0.00 C ATOM 733 C GLN A 487 -6.333 0.788 -3.176 1.00 0.00 C ATOM 734 O GLN A 487 -6.729 1.491 -2.232 1.00 0.00 O ATOM 735 CB GLN A 487 -4.725 -1.081 -2.693 1.00 0.00 C ATOM 736 CG GLN A 487 -3.372 -1.739 -2.983 1.00 0.00 C ATOM 737 CD GLN A 487 -3.075 -1.747 -4.465 1.00 0.00 C ATOM 738 OE1 GLN A 487 -3.681 -2.502 -5.226 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.151 -0.912 -4.897 1.00 0.00 N ATOM 0 H GLN A 487 -4.105 1.136 -1.440 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.526 0.382 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.885 -1.070 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.514 -1.696 -3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -2.583 -1.204 -2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -3.373 -2.761 -2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -1.668 -0.300 -4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.919 -0.878 -5.890 1.00 0.00 H new ATOM 748 N PRO A 488 -7.153 0.344 -4.150 1.00 0.00 N ATOM 749 CA PRO A 488 -8.568 0.668 -4.188 1.00 0.00 C ATOM 750 C PRO A 488 -9.257 0.148 -2.931 1.00 0.00 C ATOM 751 O PRO A 488 -8.766 -0.758 -2.252 1.00 0.00 O ATOM 752 CB PRO A 488 -9.113 0.028 -5.468 1.00 0.00 C ATOM 753 CG PRO A 488 -8.125 -1.092 -5.769 1.00 0.00 C ATOM 754 CD PRO A 488 -6.811 -0.475 -5.311 1.00 0.00 C ATOM 0 HA PRO A 488 -8.750 1.743 -4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.122 -0.358 -5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.161 0.748 -6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.361 -2.005 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.109 -1.350 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.085 -1.245 -5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.364 0.129 -6.100 1.00 0.00 H new ATOM 762 N CYS A 489 -10.394 0.749 -2.609 1.00 0.00 N ATOM 763 CA CYS A 489 -11.218 0.440 -1.460 1.00 0.00 C ATOM 764 C CYS A 489 -12.653 0.903 -1.718 1.00 0.00 C ATOM 765 O CYS A 489 -12.931 1.521 -2.750 1.00 0.00 O ATOM 766 CB CYS A 489 -10.602 1.198 -0.283 1.00 0.00 C ATOM 767 SG CYS A 489 -11.396 0.936 1.313 1.00 0.00 S ATOM 0 H CYS A 489 -10.782 1.504 -3.175 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.254 -0.630 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -9.554 0.912 -0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -10.624 2.264 -0.509 1.00 0.00 H new ATOM 772 N MET A 490 -13.554 0.570 -0.798 1.00 0.00 N ATOM 773 CA MET A 490 -14.974 0.880 -0.719 1.00 0.00 C ATOM 774 C MET A 490 -15.308 0.927 0.780 1.00 0.00 C ATOM 775 O MET A 490 -14.568 0.381 1.608 1.00 0.00 O ATOM 776 CB MET A 490 -15.819 -0.190 -1.427 1.00 0.00 C ATOM 777 CG MET A 490 -15.819 0.011 -2.944 1.00 0.00 C ATOM 778 SD MET A 490 -16.525 -1.337 -3.919 1.00 0.00 S ATOM 779 CE MET A 490 -18.142 -1.541 -3.135 1.00 0.00 C ATOM 0 H MET A 490 -13.269 0.009 0.005 1.00 0.00 H new ATOM 0 HA MET A 490 -15.198 1.825 -1.214 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.429 -1.180 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 490 -16.842 -0.153 -1.054 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.370 0.924 -3.170 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.791 0.170 -3.270 1.00 0.00 H new ATOM 0 HE1 MET A 490 -18.881 -1.811 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 490 -18.085 -2.329 -2.384 1.00 0.00 H new ATOM 0 HE3 MET A 490 -18.436 -0.606 -2.658 1.00 0.00 H new ATOM 789 N GLY A 491 -16.436 1.533 1.121 1.00 0.00 N ATOM 790 CA GLY A 491 -16.933 1.697 2.488 1.00 0.00 C ATOM 791 C GLY A 491 -17.126 0.386 3.264 1.00 0.00 C ATOM 792 O GLY A 491 -16.943 -0.706 2.716 1.00 0.00 O ATOM 0 H GLY A 491 -17.060 1.943 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -16.238 2.330 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.886 2.226 2.452 1.00 0.00 H new ATOM 796 N PRO A 492 -17.464 0.472 4.562 1.00 0.00 N ATOM 797 CA PRO A 492 -17.669 -0.703 5.396 1.00 0.00 C ATOM 798 C PRO A 492 -18.905 -1.468 4.924 1.00 0.00 C ATOM 799 O PRO A 492 -19.870 -0.879 4.428 1.00 0.00 O ATOM 800 CB PRO A 492 -17.831 -0.180 6.823 1.00 0.00 C ATOM 801 CG PRO A 492 -18.393 1.221 6.609 1.00 0.00 C ATOM 802 CD PRO A 492 -17.716 1.688 5.322 1.00 0.00 C ATOM 0 HA PRO A 492 -16.835 -1.402 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -18.509 -0.803 7.407 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -16.880 -0.157 7.356 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -19.478 1.206 6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -18.159 1.879 7.446 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -18.356 2.374 4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -16.788 2.219 5.535 1.00 0.00 H new ATOM 810 N GLY A 493 -18.855 -2.790 5.053 1.00 0.00 N ATOM 811 CA GLY A 493 -19.909 -3.715 4.661 1.00 0.00 C ATOM 812 C GLY A 493 -20.103 -3.851 3.150 1.00 0.00 C ATOM 813 O GLY A 493 -20.737 -4.815 2.724 1.00 0.00 O ATOM 0 H GLY A 493 -18.044 -3.264 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -19.685 -4.698 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -20.848 -3.387 5.107 1.00 0.00 H new ATOM 817 N CYS A 494 -19.575 -2.935 2.340 1.00 0.00 N ATOM 818 CA CYS A 494 -19.694 -2.990 0.896 1.00 0.00 C ATOM 819 C CYS A 494 -18.858 -4.170 0.376 1.00 0.00 C ATOM 820 O CYS A 494 -18.059 -4.749 1.121 1.00 0.00 O ATOM 821 CB CYS A 494 -19.230 -1.654 0.317 1.00 0.00 C ATOM 822 SG CYS A 494 -19.901 -0.187 1.146 1.00 0.00 S ATOM 0 H CYS A 494 -19.049 -2.129 2.677 1.00 0.00 H new ATOM 0 HA CYS A 494 -20.727 -3.150 0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -18.142 -1.613 0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -19.506 -1.616 -0.737 1.00 0.00 H new ATOM 827 N SER A 495 -18.977 -4.499 -0.911 1.00 0.00 N ATOM 828 CA SER A 495 -18.248 -5.614 -1.529 1.00 0.00 C ATOM 829 C SER A 495 -18.713 -6.970 -0.972 1.00 0.00 C ATOM 830 O SER A 495 -17.982 -7.957 -1.032 1.00 0.00 O ATOM 831 CB SER A 495 -16.717 -5.429 -1.443 1.00 0.00 C ATOM 832 OG SER A 495 -16.316 -4.138 -1.879 1.00 0.00 O ATOM 0 H SER A 495 -19.584 -3.998 -1.560 1.00 0.00 H new ATOM 0 HA SER A 495 -18.492 -5.611 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 495 -16.389 -5.583 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 495 -16.225 -6.187 -2.052 1.00 0.00 H new ATOM 0 HG SER A 495 -15.342 -4.057 -1.809 1.00 0.00 H new ATOM 838 N ASP A 496 -19.909 -7.050 -0.389 1.00 0.00 N ATOM 839 CA ASP A 496 -20.508 -8.263 0.176 1.00 0.00 C ATOM 840 C ASP A 496 -21.115 -9.125 -0.941 1.00 0.00 C ATOM 841 O ASP A 496 -22.212 -9.670 -0.819 1.00 0.00 O ATOM 842 CB ASP A 496 -21.519 -7.909 1.274 1.00 0.00 C ATOM 843 CG ASP A 496 -22.771 -7.172 0.795 1.00 0.00 C ATOM 844 OD1 ASP A 496 -22.718 -6.396 -0.194 1.00 0.00 O ATOM 845 OD2 ASP A 496 -23.805 -7.275 1.488 1.00 0.00 O ATOM 0 H ASP A 496 -20.515 -6.235 -0.292 1.00 0.00 H new ATOM 0 HA ASP A 496 -19.731 -8.861 0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -21.827 -8.828 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -21.018 -7.294 2.021 1.00 0.00 H new ATOM 850 N GLU A 497 -20.448 -9.146 -2.095 1.00 0.00 N ATOM 851 CA GLU A 497 -20.803 -9.896 -3.288 1.00 0.00 C ATOM 852 C GLU A 497 -20.681 -11.381 -2.950 1.00 0.00 C ATOM 853 O GLU A 497 -19.841 -11.764 -2.129 1.00 0.00 O ATOM 854 CB GLU A 497 -19.848 -9.435 -4.393 1.00 0.00 C ATOM 855 CG GLU A 497 -20.062 -10.104 -5.758 1.00 0.00 C ATOM 856 CD GLU A 497 -19.227 -9.431 -6.853 1.00 0.00 C ATOM 857 OE1 GLU A 497 -18.419 -8.521 -6.571 1.00 0.00 O ATOM 858 OE2 GLU A 497 -19.426 -9.722 -8.055 1.00 0.00 O ATOM 0 H GLU A 497 -19.593 -8.604 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 497 -21.823 -9.729 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -19.950 -8.357 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -18.824 -9.624 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -19.795 -11.159 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -21.118 -10.058 -6.025 1.00 0.00 H new ATOM 865 N ASP A 498 -21.498 -12.229 -3.567 1.00 0.00 N ATOM 866 CA ASP A 498 -21.494 -13.660 -3.299 1.00 0.00 C ATOM 867 C ASP A 498 -20.490 -14.432 -4.157 1.00 0.00 C ATOM 868 O ASP A 498 -20.858 -15.295 -4.955 1.00 0.00 O ATOM 869 CB ASP A 498 -22.918 -14.214 -3.360 1.00 0.00 C ATOM 870 CG ASP A 498 -22.986 -15.403 -2.420 1.00 0.00 C ATOM 871 OD1 ASP A 498 -23.165 -15.166 -1.207 1.00 0.00 O ATOM 872 OD2 ASP A 498 -22.822 -16.565 -2.846 1.00 0.00 O ATOM 0 H ASP A 498 -22.182 -11.941 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 498 -21.134 -13.810 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -23.639 -13.451 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -23.169 -14.515 -4.377 1.00 0.00 H new ATOM 877 N GLY A 499 -19.203 -14.159 -3.949 1.00 0.00 N ATOM 878 CA GLY A 499 -18.123 -14.806 -4.679 1.00 0.00 C ATOM 879 C GLY A 499 -18.011 -14.171 -6.045 1.00 0.00 C ATOM 880 O GLY A 499 -18.146 -14.894 -7.055 1.00 0.00 O ATOM 0 H GLY A 499 -18.882 -13.476 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -17.184 -14.701 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -18.318 -15.874 -4.774 1.00 0.00 H new TER 884 GLY A 499