USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 373 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 NoAdj-H: A 431 HIS HE2 : A 431 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 436 HIS HE2 : A 436 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 408 SER OG : rot 30:sc= 0.189 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 SER OG : rot 180:sc= -0.156 USER MOD Single : A 427 HIS : no HD1:sc= -4.91! C(o=-4.9!,f=-5.7!) USER MOD Single : A 429 ASN : amide:sc= -4.11! C(o=-4.1!,f=-7!) USER MOD Single : A 433 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00801) USER MOD Single : A 434 GLN : amide:sc= -0.285 K(o=-0.29,f=-1.3) USER MOD Single : A 437 THR OG1 : rot 180:sc=-0.00816 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 HIS : no HD1:sc= -0.032 X(o=-0.032,f=-0.18) USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -4.78! C(o=-4.8!,f=-5.5!) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot 34:sc= 0.948 USER MOD Single : A 453 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 401 9.191 21.479 10.261 1.00 0.00 N ATOM 2 CA GLY A 401 10.167 20.503 9.814 1.00 0.00 C ATOM 3 C GLY A 401 10.654 20.774 8.404 1.00 0.00 C ATOM 4 O GLY A 401 10.066 21.577 7.680 1.00 0.00 O ATOM 0 HA2 GLY A 401 11.018 20.506 10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 401 9.727 19.507 9.858 1.00 0.00 H new ATOM 8 N SER A 402 11.733 20.103 8.013 1.00 0.00 N ATOM 9 CA SER A 402 12.302 20.280 6.683 1.00 0.00 C ATOM 10 C SER A 402 12.518 18.932 6.001 1.00 0.00 C ATOM 11 O SER A 402 12.811 17.932 6.656 1.00 0.00 O ATOM 12 CB SER A 402 13.628 21.038 6.769 1.00 0.00 C ATOM 13 OG SER A 402 14.655 20.213 7.292 1.00 0.00 O ATOM 0 H SER A 402 12.230 19.432 8.599 1.00 0.00 H new ATOM 0 HA SER A 402 11.597 20.861 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 402 13.912 21.393 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 402 13.507 21.918 7.401 1.00 0.00 H new ATOM 0 HG SER A 402 15.492 20.721 7.335 1.00 0.00 H new ATOM 19 N SER A 403 12.370 18.914 4.680 1.00 0.00 N ATOM 20 CA SER A 403 12.544 17.689 3.908 1.00 0.00 C ATOM 21 C SER A 403 14.023 17.401 3.673 1.00 0.00 C ATOM 22 O SER A 403 14.886 18.215 3.999 1.00 0.00 O ATOM 23 CB SER A 403 11.815 17.798 2.567 1.00 0.00 C ATOM 24 OG SER A 403 10.438 18.076 2.757 1.00 0.00 O ATOM 0 H SER A 403 12.130 19.734 4.122 1.00 0.00 H new ATOM 0 HA SER A 403 12.117 16.865 4.480 1.00 0.00 H new ATOM 0 HB2 SER A 403 12.269 18.586 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 403 11.928 16.867 2.011 1.00 0.00 H new ATOM 0 HG SER A 403 9.994 18.143 1.886 1.00 0.00 H new ATOM 30 N GLY A 404 14.310 16.234 3.104 1.00 0.00 N ATOM 31 CA GLY A 404 15.685 15.857 2.834 1.00 0.00 C ATOM 32 C GLY A 404 15.972 14.413 3.193 1.00 0.00 C ATOM 33 O GLY A 404 16.134 14.078 4.367 1.00 0.00 O ATOM 0 H GLY A 404 13.614 15.543 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 404 15.901 16.015 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 404 16.354 16.508 3.397 1.00 0.00 H new ATOM 37 N SER A 405 16.032 13.553 2.181 1.00 0.00 N ATOM 38 CA SER A 405 16.295 12.135 2.396 1.00 0.00 C ATOM 39 C SER A 405 16.510 11.415 1.069 1.00 0.00 C ATOM 40 O SER A 405 15.897 11.757 0.058 1.00 0.00 O ATOM 41 CB SER A 405 15.136 11.490 3.158 1.00 0.00 C ATOM 42 OG SER A 405 14.040 11.233 2.297 1.00 0.00 O ATOM 0 H SER A 405 15.902 13.814 1.204 1.00 0.00 H new ATOM 0 HA SER A 405 17.205 12.045 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 405 15.470 10.558 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 405 14.820 12.146 3.969 1.00 0.00 H new ATOM 0 HG SER A 405 13.313 10.819 2.808 1.00 0.00 H new ATOM 48 N SER A 406 17.386 10.416 1.080 1.00 0.00 N ATOM 49 CA SER A 406 17.687 9.648 -0.123 1.00 0.00 C ATOM 50 C SER A 406 17.039 8.268 -0.063 1.00 0.00 C ATOM 51 O SER A 406 16.819 7.720 1.016 1.00 0.00 O ATOM 52 CB SER A 406 19.200 9.507 -0.299 1.00 0.00 C ATOM 53 OG SER A 406 19.782 10.730 -0.714 1.00 0.00 O ATOM 0 H SER A 406 17.900 10.119 1.909 1.00 0.00 H new ATOM 0 HA SER A 406 17.278 10.185 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 406 19.650 9.187 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 406 19.413 8.731 -1.035 1.00 0.00 H new ATOM 0 HG SER A 406 20.750 10.613 -0.818 1.00 0.00 H new ATOM 59 N GLY A 407 16.735 7.713 -1.232 1.00 0.00 N ATOM 60 CA GLY A 407 16.115 6.402 -1.292 1.00 0.00 C ATOM 61 C GLY A 407 16.255 5.755 -2.656 1.00 0.00 C ATOM 62 O GLY A 407 16.608 6.419 -3.631 1.00 0.00 O ATOM 0 H GLY A 407 16.907 8.148 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 407 16.566 5.756 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 407 15.058 6.492 -1.043 1.00 0.00 H new ATOM 66 N SER A 408 15.981 4.457 -2.725 1.00 0.00 N ATOM 67 CA SER A 408 16.084 3.719 -3.978 1.00 0.00 C ATOM 68 C SER A 408 14.921 2.744 -4.132 1.00 0.00 C ATOM 69 O SER A 408 14.637 1.950 -3.235 1.00 0.00 O ATOM 70 CB SER A 408 17.411 2.960 -4.040 1.00 0.00 C ATOM 71 OG SER A 408 17.517 2.031 -2.975 1.00 0.00 O ATOM 0 H SER A 408 15.686 3.894 -1.927 1.00 0.00 H new ATOM 0 HA SER A 408 16.045 4.437 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 408 17.490 2.436 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 408 18.240 3.666 -3.995 1.00 0.00 H new ATOM 0 HG SER A 408 16.623 1.716 -2.725 1.00 0.00 H new ATOM 77 N VAL A 409 14.249 2.811 -5.278 1.00 0.00 N ATOM 78 CA VAL A 409 13.116 1.935 -5.552 1.00 0.00 C ATOM 79 C VAL A 409 13.108 1.487 -7.009 1.00 0.00 C ATOM 80 O VAL A 409 13.645 2.168 -7.882 1.00 0.00 O ATOM 81 CB VAL A 409 11.779 2.630 -5.233 1.00 0.00 C ATOM 82 CG1 VAL A 409 11.701 2.985 -3.756 1.00 0.00 C ATOM 83 CG2 VAL A 409 11.603 3.869 -6.097 1.00 0.00 C ATOM 0 H VAL A 409 14.470 3.463 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 409 13.227 1.063 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 409 10.967 1.939 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 409 10.750 3.475 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 409 11.778 2.076 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 409 12.519 3.658 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 409 10.653 4.347 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 409 12.419 4.566 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 409 11.611 3.583 -7.149 1.00 0.00 H new ATOM 93 N GLY A 410 12.496 0.335 -7.265 1.00 0.00 N ATOM 94 CA GLY A 410 12.429 -0.185 -8.618 1.00 0.00 C ATOM 95 C GLY A 410 11.011 -0.510 -9.045 1.00 0.00 C ATOM 96 O GLY A 410 10.730 -1.620 -9.498 1.00 0.00 O ATOM 0 H GLY A 410 12.045 -0.248 -6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 410 12.854 0.546 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 410 13.042 -1.084 -8.689 1.00 0.00 H new ATOM 100 N LYS A 411 10.114 0.459 -8.899 1.00 0.00 N ATOM 101 CA LYS A 411 8.717 0.272 -9.272 1.00 0.00 C ATOM 102 C LYS A 411 8.209 1.454 -10.090 1.00 0.00 C ATOM 103 O LYS A 411 7.986 2.548 -9.571 1.00 0.00 O ATOM 104 CB LYS A 411 7.853 0.094 -8.021 1.00 0.00 C ATOM 105 CG LYS A 411 7.789 -1.339 -7.524 1.00 0.00 C ATOM 106 CD LYS A 411 8.942 -1.657 -6.588 1.00 0.00 C ATOM 107 CE LYS A 411 8.678 -2.923 -5.787 1.00 0.00 C ATOM 108 NZ LYS A 411 9.909 -3.422 -5.114 1.00 0.00 N ATOM 0 H LYS A 411 10.330 1.383 -8.525 1.00 0.00 H new ATOM 0 HA LYS A 411 8.648 -0.627 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 411 8.245 0.728 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 411 6.842 0.441 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 411 6.844 -1.504 -7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 411 7.811 -2.021 -8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.859 -1.775 -7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 411 9.100 -0.821 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 411 7.910 -2.726 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 411 8.287 -3.696 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 9.686 -4.286 -4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 10.634 -3.635 -5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 10.268 -2.695 -4.463 1.00 0.00 H new ATOM 122 N PRO A 412 8.020 1.232 -11.399 1.00 0.00 N ATOM 123 CA PRO A 412 7.534 2.267 -12.316 1.00 0.00 C ATOM 124 C PRO A 412 6.073 2.624 -12.066 1.00 0.00 C ATOM 125 O PRO A 412 5.717 3.799 -11.978 1.00 0.00 O ATOM 126 CB PRO A 412 7.699 1.625 -13.696 1.00 0.00 C ATOM 127 CG PRO A 412 7.647 0.159 -13.440 1.00 0.00 C ATOM 128 CD PRO A 412 8.266 -0.048 -12.085 1.00 0.00 C ATOM 0 HA PRO A 412 8.079 3.204 -12.199 1.00 0.00 H new ATOM 0 HB2 PRO A 412 6.905 1.937 -14.375 1.00 0.00 H new ATOM 0 HB3 PRO A 412 8.644 1.913 -14.156 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.619 -0.204 -13.459 1.00 0.00 H new ATOM 0 HG3 PRO A 412 8.193 -0.390 -14.207 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.806 -0.882 -11.556 1.00 0.00 H new ATOM 0 HD3 PRO A 412 9.331 -0.266 -12.159 1.00 0.00 H new ATOM 136 N TYR A 413 5.231 1.603 -11.951 1.00 0.00 N ATOM 137 CA TYR A 413 3.807 1.809 -11.713 1.00 0.00 C ATOM 138 C TYR A 413 3.576 2.544 -10.396 1.00 0.00 C ATOM 139 O TYR A 413 3.499 1.928 -9.334 1.00 0.00 O ATOM 140 CB TYR A 413 3.072 0.468 -11.697 1.00 0.00 C ATOM 141 CG TYR A 413 3.064 -0.234 -13.036 1.00 0.00 C ATOM 142 CD1 TYR A 413 3.803 0.256 -14.105 1.00 0.00 C ATOM 143 CD2 TYR A 413 2.317 -1.390 -13.231 1.00 0.00 C ATOM 144 CE1 TYR A 413 3.798 -0.382 -15.330 1.00 0.00 C ATOM 145 CE2 TYR A 413 2.307 -2.036 -14.453 1.00 0.00 C ATOM 146 CZ TYR A 413 3.048 -1.527 -15.499 1.00 0.00 C ATOM 147 OH TYR A 413 3.042 -2.167 -16.717 1.00 0.00 O ATOM 0 H TYR A 413 5.510 0.624 -12.019 1.00 0.00 H new ATOM 0 HA TYR A 413 3.414 2.422 -12.524 1.00 0.00 H new ATOM 0 HB2 TYR A 413 3.538 -0.183 -10.958 1.00 0.00 H new ATOM 0 HB3 TYR A 413 2.043 0.631 -11.375 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.392 1.152 -13.976 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.735 -1.790 -12.414 1.00 0.00 H new ATOM 0 HE1 TYR A 413 4.378 0.013 -16.151 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.722 -2.934 -14.588 1.00 0.00 H new ATOM 0 HH TYR A 413 2.465 -2.958 -16.668 1.00 0.00 H new ATOM 157 N ILE A 414 3.467 3.866 -10.476 1.00 0.00 N ATOM 158 CA ILE A 414 3.243 4.686 -9.292 1.00 0.00 C ATOM 159 C ILE A 414 1.777 5.090 -9.172 1.00 0.00 C ATOM 160 O ILE A 414 1.171 5.561 -10.135 1.00 0.00 O ATOM 161 CB ILE A 414 4.113 5.957 -9.314 1.00 0.00 C ATOM 162 CG1 ILE A 414 5.597 5.584 -9.326 1.00 0.00 C ATOM 163 CG2 ILE A 414 3.793 6.839 -8.117 1.00 0.00 C ATOM 164 CD1 ILE A 414 5.961 4.519 -8.316 1.00 0.00 C ATOM 0 H ILE A 414 3.530 4.392 -11.348 1.00 0.00 H new ATOM 0 HA ILE A 414 3.522 4.079 -8.431 1.00 0.00 H new ATOM 0 HB ILE A 414 3.890 6.517 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.868 5.235 -10.323 1.00 0.00 H new ATOM 0 HG13 ILE A 414 6.189 6.478 -9.129 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.416 7.733 -8.147 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.742 7.128 -8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.991 6.289 -7.197 1.00 0.00 H new ATOM 0 HD11 ILE A 414 7.028 4.305 -8.381 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.722 4.872 -7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.396 3.611 -8.525 1.00 0.00 H new ATOM 176 N CYS A 415 1.214 4.905 -7.983 1.00 0.00 N ATOM 177 CA CYS A 415 -0.181 5.250 -7.735 1.00 0.00 C ATOM 178 C CYS A 415 -0.443 6.718 -8.060 1.00 0.00 C ATOM 179 O CYS A 415 0.231 7.608 -7.542 1.00 0.00 O ATOM 180 CB CYS A 415 -0.547 4.966 -6.278 1.00 0.00 C ATOM 181 SG CYS A 415 -2.339 4.967 -5.947 1.00 0.00 S ATOM 0 H CYS A 415 1.702 4.518 -7.176 1.00 0.00 H new ATOM 0 HA CYS A 415 -0.803 4.635 -8.385 1.00 0.00 H new ATOM 0 HB2 CYS A 415 -0.136 3.997 -5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 415 -0.071 5.713 -5.643 1.00 0.00 H new ATOM 186 N GLN A 416 -1.427 6.962 -8.920 1.00 0.00 N ATOM 187 CA GLN A 416 -1.778 8.321 -9.313 1.00 0.00 C ATOM 188 C GLN A 416 -2.763 8.937 -8.325 1.00 0.00 C ATOM 189 O GLN A 416 -3.460 9.899 -8.646 1.00 0.00 O ATOM 190 CB GLN A 416 -2.379 8.328 -10.720 1.00 0.00 C ATOM 191 CG GLN A 416 -1.508 7.636 -11.757 1.00 0.00 C ATOM 192 CD GLN A 416 -0.517 8.579 -12.410 1.00 0.00 C ATOM 193 OE1 GLN A 416 -0.834 9.249 -13.392 1.00 0.00 O ATOM 194 NE2 GLN A 416 0.693 8.635 -11.865 1.00 0.00 N ATOM 0 H GLN A 416 -1.995 6.236 -9.357 1.00 0.00 H new ATOM 0 HA GLN A 416 -0.867 8.919 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 416 -3.353 7.840 -10.692 1.00 0.00 H new ATOM 0 HB3 GLN A 416 -2.547 9.360 -11.029 1.00 0.00 H new ATOM 0 HG2 GLN A 416 -0.967 6.817 -11.283 1.00 0.00 H new ATOM 0 HG3 GLN A 416 -2.144 7.195 -12.525 1.00 0.00 H new ATOM 0 HE21 GLN A 416 0.913 8.061 -11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 416 1.403 9.252 -12.261 1.00 0.00 H new ATOM 203 N SER A 417 -2.814 8.376 -7.121 1.00 0.00 N ATOM 204 CA SER A 417 -3.716 8.867 -6.086 1.00 0.00 C ATOM 205 C SER A 417 -2.933 9.399 -4.890 1.00 0.00 C ATOM 206 O SER A 417 -3.257 10.450 -4.338 1.00 0.00 O ATOM 207 CB SER A 417 -4.665 7.754 -5.636 1.00 0.00 C ATOM 208 OG SER A 417 -5.846 7.743 -6.418 1.00 0.00 O ATOM 0 H SER A 417 -2.241 7.581 -6.838 1.00 0.00 H new ATOM 0 HA SER A 417 -4.301 9.685 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.163 6.790 -5.716 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.922 7.893 -4.586 1.00 0.00 H new ATOM 0 HG SER A 417 -6.435 7.022 -6.112 1.00 0.00 H new ATOM 214 N CYS A 418 -1.899 8.663 -4.494 1.00 0.00 N ATOM 215 CA CYS A 418 -1.068 9.058 -3.363 1.00 0.00 C ATOM 216 C CYS A 418 0.391 9.202 -3.785 1.00 0.00 C ATOM 217 O CYS A 418 1.049 10.188 -3.455 1.00 0.00 O ATOM 218 CB CYS A 418 -1.185 8.031 -2.235 1.00 0.00 C ATOM 219 SG CYS A 418 -0.843 6.318 -2.750 1.00 0.00 S ATOM 0 H CYS A 418 -1.617 7.790 -4.940 1.00 0.00 H new ATOM 0 HA CYS A 418 -1.421 10.025 -3.004 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -0.495 8.304 -1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -2.190 8.079 -1.817 1.00 0.00 H new ATOM 224 N GLY A 419 0.891 8.211 -4.517 1.00 0.00 N ATOM 225 CA GLY A 419 2.269 8.247 -4.973 1.00 0.00 C ATOM 226 C GLY A 419 2.975 6.919 -4.787 1.00 0.00 C ATOM 227 O GLY A 419 4.142 6.771 -5.151 1.00 0.00 O ATOM 0 H GLY A 419 0.367 7.384 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 419 2.293 8.523 -6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 419 2.809 9.022 -4.428 1.00 0.00 H new ATOM 231 N LYS A 420 2.268 5.949 -4.218 1.00 0.00 N ATOM 232 CA LYS A 420 2.833 4.626 -3.983 1.00 0.00 C ATOM 233 C LYS A 420 3.452 4.065 -5.259 1.00 0.00 C ATOM 234 O LYS A 420 3.420 4.704 -6.310 1.00 0.00 O ATOM 235 CB LYS A 420 1.755 3.672 -3.465 1.00 0.00 C ATOM 236 CG LYS A 420 1.632 3.657 -1.951 1.00 0.00 C ATOM 237 CD LYS A 420 1.080 2.333 -1.450 1.00 0.00 C ATOM 238 CE LYS A 420 0.744 2.395 0.032 1.00 0.00 C ATOM 239 NZ LYS A 420 0.263 1.083 0.547 1.00 0.00 N ATOM 0 H LYS A 420 1.301 6.055 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 420 3.616 4.722 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.795 3.954 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 420 1.977 2.663 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.610 3.837 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 420 0.980 4.469 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 420 0.186 2.073 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.810 1.543 -1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 420 1.627 2.703 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -0.021 3.153 0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 0.045 1.167 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -0.594 0.800 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 1.002 0.364 0.411 1.00 0.00 H new ATOM 253 N GLY A 421 4.015 2.864 -5.161 1.00 0.00 N ATOM 254 CA GLY A 421 4.632 2.237 -6.315 1.00 0.00 C ATOM 255 C GLY A 421 4.503 0.727 -6.293 1.00 0.00 C ATOM 256 O GLY A 421 4.580 0.105 -5.232 1.00 0.00 O ATOM 0 H GLY A 421 4.055 2.314 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 421 4.172 2.625 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 421 5.687 2.508 -6.351 1.00 0.00 H new ATOM 260 N PHE A 422 4.304 0.134 -7.465 1.00 0.00 N ATOM 261 CA PHE A 422 4.162 -1.313 -7.576 1.00 0.00 C ATOM 262 C PHE A 422 4.923 -1.844 -8.787 1.00 0.00 C ATOM 263 O PHE A 422 5.298 -1.084 -9.679 1.00 0.00 O ATOM 264 CB PHE A 422 2.684 -1.695 -7.681 1.00 0.00 C ATOM 265 CG PHE A 422 1.874 -1.295 -6.480 1.00 0.00 C ATOM 266 CD1 PHE A 422 1.599 0.039 -6.226 1.00 0.00 C ATOM 267 CD2 PHE A 422 1.389 -2.254 -5.606 1.00 0.00 C ATOM 268 CE1 PHE A 422 0.856 0.409 -5.122 1.00 0.00 C ATOM 269 CE2 PHE A 422 0.644 -1.890 -4.499 1.00 0.00 C ATOM 270 CZ PHE A 422 0.376 -0.556 -4.258 1.00 0.00 C ATOM 0 H PHE A 422 4.237 0.633 -8.352 1.00 0.00 H new ATOM 0 HA PHE A 422 4.584 -1.764 -6.678 1.00 0.00 H new ATOM 0 HB2 PHE A 422 2.258 -1.227 -8.569 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.605 -2.773 -7.820 1.00 0.00 H new ATOM 0 HD1 PHE A 422 1.970 0.798 -6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 422 1.595 -3.298 -5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 422 0.650 1.453 -4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 422 0.272 -2.647 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 422 -0.208 -0.268 -3.396 1.00 0.00 H new ATOM 280 N SER A 423 5.147 -3.154 -8.810 1.00 0.00 N ATOM 281 CA SER A 423 5.868 -3.787 -9.908 1.00 0.00 C ATOM 282 C SER A 423 4.896 -4.361 -10.936 1.00 0.00 C ATOM 283 O SER A 423 5.250 -4.557 -12.098 1.00 0.00 O ATOM 284 CB SER A 423 6.779 -4.895 -9.377 1.00 0.00 C ATOM 285 OG SER A 423 8.035 -4.374 -8.978 1.00 0.00 O ATOM 0 H SER A 423 4.840 -3.798 -8.081 1.00 0.00 H new ATOM 0 HA SER A 423 6.479 -3.027 -10.395 1.00 0.00 H new ATOM 0 HB2 SER A 423 6.301 -5.389 -8.531 1.00 0.00 H new ATOM 0 HB3 SER A 423 6.924 -5.652 -10.148 1.00 0.00 H new ATOM 0 HG SER A 423 8.599 -5.101 -8.641 1.00 0.00 H new ATOM 291 N ARG A 424 3.671 -4.628 -10.497 1.00 0.00 N ATOM 292 CA ARG A 424 2.648 -5.180 -11.377 1.00 0.00 C ATOM 293 C ARG A 424 1.453 -4.236 -11.481 1.00 0.00 C ATOM 294 O ARG A 424 1.167 -3.454 -10.574 1.00 0.00 O ATOM 295 CB ARG A 424 2.188 -6.546 -10.865 1.00 0.00 C ATOM 296 CG ARG A 424 3.312 -7.564 -10.753 1.00 0.00 C ATOM 297 CD ARG A 424 3.457 -8.375 -12.031 1.00 0.00 C ATOM 298 NE ARG A 424 4.836 -8.802 -12.254 1.00 0.00 N ATOM 299 CZ ARG A 424 5.765 -8.029 -12.806 1.00 0.00 C ATOM 300 NH1 ARG A 424 5.464 -6.796 -13.188 1.00 0.00 N ATOM 301 NH2 ARG A 424 6.998 -8.489 -12.975 1.00 0.00 N ATOM 0 H ARG A 424 3.362 -4.471 -9.538 1.00 0.00 H new ATOM 0 HA ARG A 424 3.083 -5.299 -12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 424 1.724 -6.421 -9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 424 1.421 -6.936 -11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 424 4.249 -7.051 -10.538 1.00 0.00 H new ATOM 0 HG3 ARG A 424 3.116 -8.234 -9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 424 2.810 -9.251 -11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 424 3.120 -7.779 -12.879 1.00 0.00 H new ATOM 0 HE ARG A 424 5.100 -9.745 -11.970 1.00 0.00 H new ATOM 0 HH11 ARG A 424 4.517 -6.439 -13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 424 6.179 -6.204 -13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 424 7.233 -9.437 -12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 424 7.710 -7.895 -13.399 1.00 0.00 H new ATOM 315 N PRO A 425 0.739 -4.309 -12.614 1.00 0.00 N ATOM 316 CA PRO A 425 -0.436 -3.469 -12.865 1.00 0.00 C ATOM 317 C PRO A 425 -1.619 -3.847 -11.979 1.00 0.00 C ATOM 318 O PRO A 425 -2.315 -2.978 -11.453 1.00 0.00 O ATOM 319 CB PRO A 425 -0.761 -3.742 -14.335 1.00 0.00 C ATOM 320 CG PRO A 425 -0.203 -5.098 -14.601 1.00 0.00 C ATOM 321 CD PRO A 425 1.022 -5.218 -13.738 1.00 0.00 C ATOM 0 HA PRO A 425 -0.240 -2.419 -12.646 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -1.836 -3.714 -14.515 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -0.309 -2.993 -14.986 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -0.929 -5.873 -14.358 1.00 0.00 H new ATOM 0 HG3 PRO A 425 0.049 -5.217 -15.655 1.00 0.00 H new ATOM 0 HD2 PRO A 425 1.175 -6.242 -13.398 1.00 0.00 H new ATOM 0 HD3 PRO A 425 1.923 -4.923 -14.276 1.00 0.00 H new ATOM 329 N ASP A 426 -1.839 -5.147 -11.817 1.00 0.00 N ATOM 330 CA ASP A 426 -2.937 -5.639 -10.994 1.00 0.00 C ATOM 331 C ASP A 426 -2.683 -5.347 -9.518 1.00 0.00 C ATOM 332 O ASP A 426 -3.590 -4.945 -8.789 1.00 0.00 O ATOM 333 CB ASP A 426 -3.125 -7.143 -11.203 1.00 0.00 C ATOM 334 CG ASP A 426 -4.411 -7.657 -10.585 1.00 0.00 C ATOM 335 OD1 ASP A 426 -4.579 -7.507 -9.357 1.00 0.00 O ATOM 336 OD2 ASP A 426 -5.247 -8.211 -11.329 1.00 0.00 O ATOM 0 H ASP A 426 -1.272 -5.879 -12.245 1.00 0.00 H new ATOM 0 HA ASP A 426 -3.846 -5.121 -11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.126 -7.361 -12.271 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.279 -7.676 -10.770 1.00 0.00 H new ATOM 341 N HIS A 427 -1.443 -5.553 -9.084 1.00 0.00 N ATOM 342 CA HIS A 427 -1.069 -5.312 -7.695 1.00 0.00 C ATOM 343 C HIS A 427 -1.415 -3.885 -7.279 1.00 0.00 C ATOM 344 O HIS A 427 -1.988 -3.660 -6.213 1.00 0.00 O ATOM 345 CB HIS A 427 0.425 -5.566 -7.495 1.00 0.00 C ATOM 346 CG HIS A 427 0.805 -7.012 -7.586 1.00 0.00 C ATOM 347 ND1 HIS A 427 2.088 -7.437 -7.855 1.00 0.00 N ATOM 348 CD2 HIS A 427 0.060 -8.133 -7.441 1.00 0.00 C ATOM 349 CE1 HIS A 427 2.117 -8.758 -7.873 1.00 0.00 C ATOM 350 NE2 HIS A 427 0.899 -9.205 -7.624 1.00 0.00 N ATOM 0 H HIS A 427 -0.681 -5.886 -9.674 1.00 0.00 H new ATOM 0 HA HIS A 427 -1.634 -6.002 -7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 427 0.984 -5.004 -8.244 1.00 0.00 H new ATOM 0 HB3 HIS A 427 0.723 -5.181 -6.520 1.00 0.00 H new ATOM 0 HD2 HIS A 427 -0.997 -8.176 -7.222 1.00 0.00 H new ATOM 0 HE1 HIS A 427 2.988 -9.368 -8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 427 0.626 -10.187 -7.576 1.00 0.00 H new ATOM 358 N LEU A 428 -1.062 -2.925 -8.127 1.00 0.00 N ATOM 359 CA LEU A 428 -1.334 -1.519 -7.847 1.00 0.00 C ATOM 360 C LEU A 428 -2.835 -1.247 -7.835 1.00 0.00 C ATOM 361 O LEU A 428 -3.345 -0.567 -6.946 1.00 0.00 O ATOM 362 CB LEU A 428 -0.652 -0.630 -8.888 1.00 0.00 C ATOM 363 CG LEU A 428 -1.246 0.767 -9.071 1.00 0.00 C ATOM 364 CD1 LEU A 428 -1.171 1.553 -7.772 1.00 0.00 C ATOM 365 CD2 LEU A 428 -0.528 1.509 -10.189 1.00 0.00 C ATOM 0 H LEU A 428 -0.587 -3.094 -9.014 1.00 0.00 H new ATOM 0 HA LEU A 428 -0.933 -1.286 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.398 -0.524 -8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.680 -1.143 -9.849 1.00 0.00 H new ATOM 0 HG LEU A 428 -2.295 0.662 -9.347 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.598 2.545 -7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -1.731 1.030 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 428 -0.130 1.649 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 428 -0.964 2.501 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 428 0.529 1.604 -9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 428 -0.635 0.954 -11.121 1.00 0.00 H new ATOM 377 N ASN A 429 -3.537 -1.786 -8.827 1.00 0.00 N ATOM 378 CA ASN A 429 -4.980 -1.602 -8.930 1.00 0.00 C ATOM 379 C ASN A 429 -5.665 -1.929 -7.606 1.00 0.00 C ATOM 380 O ASN A 429 -6.402 -1.111 -7.058 1.00 0.00 O ATOM 381 CB ASN A 429 -5.549 -2.484 -10.043 1.00 0.00 C ATOM 382 CG ASN A 429 -4.880 -2.230 -11.380 1.00 0.00 C ATOM 383 OD1 ASN A 429 -4.608 -3.162 -12.137 1.00 0.00 O ATOM 384 ND2 ASN A 429 -4.611 -0.964 -11.676 1.00 0.00 N ATOM 0 H ASN A 429 -3.130 -2.353 -9.570 1.00 0.00 H new ATOM 0 HA ASN A 429 -5.172 -0.556 -9.170 1.00 0.00 H new ATOM 0 HB2 ASN A 429 -5.426 -3.532 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 429 -6.620 -2.303 -10.135 1.00 0.00 H new ATOM 0 HD21 ASN A 429 -4.161 -0.732 -12.561 1.00 0.00 H new ATOM 0 HD22 ASN A 429 -4.854 -0.224 -11.018 1.00 0.00 H new ATOM 391 N GLY A 430 -5.416 -3.133 -7.098 1.00 0.00 N ATOM 392 CA GLY A 430 -6.015 -3.547 -5.843 1.00 0.00 C ATOM 393 C GLY A 430 -5.879 -2.495 -4.760 1.00 0.00 C ATOM 394 O GLY A 430 -6.827 -2.229 -4.021 1.00 0.00 O ATOM 0 H GLY A 430 -4.810 -3.828 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -7.071 -3.765 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -5.546 -4.472 -5.508 1.00 0.00 H new ATOM 398 N HIS A 431 -4.696 -1.896 -4.665 1.00 0.00 N ATOM 399 CA HIS A 431 -4.439 -0.868 -3.663 1.00 0.00 C ATOM 400 C HIS A 431 -5.336 0.346 -3.887 1.00 0.00 C ATOM 401 O HIS A 431 -5.869 0.919 -2.937 1.00 0.00 O ATOM 402 CB HIS A 431 -2.970 -0.445 -3.701 1.00 0.00 C ATOM 403 CG HIS A 431 -2.738 0.958 -3.231 1.00 0.00 C ATOM 404 ND1 HIS A 431 -2.661 1.302 -1.898 1.00 0.00 N ATOM 405 CD2 HIS A 431 -2.565 2.107 -3.926 1.00 0.00 C ATOM 406 CE1 HIS A 431 -2.452 2.602 -1.793 1.00 0.00 C ATOM 407 NE2 HIS A 431 -2.389 3.114 -3.009 1.00 0.00 N ATOM 0 H HIS A 431 -3.901 -2.105 -5.269 1.00 0.00 H new ATOM 0 HA HIS A 431 -4.664 -1.287 -2.682 1.00 0.00 H new ATOM 0 HB2 HIS A 431 -2.388 -1.128 -3.082 1.00 0.00 H new ATOM 0 HB3 HIS A 431 -2.598 -0.544 -4.721 1.00 0.00 H new ATOM 0 HD1 HIS A 431 -2.751 0.654 -1.115 1.00 0.00 H new ATOM 0 HD2 HIS A 431 -2.565 2.212 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 431 -2.350 3.153 -0.870 1.00 0.00 H new ATOM 415 N ILE A 432 -5.497 0.731 -5.148 1.00 0.00 N ATOM 416 CA ILE A 432 -6.329 1.876 -5.496 1.00 0.00 C ATOM 417 C ILE A 432 -7.810 1.545 -5.347 1.00 0.00 C ATOM 418 O ILE A 432 -8.657 2.438 -5.306 1.00 0.00 O ATOM 419 CB ILE A 432 -6.063 2.348 -6.938 1.00 0.00 C ATOM 420 CG1 ILE A 432 -4.559 2.461 -7.192 1.00 0.00 C ATOM 421 CG2 ILE A 432 -6.750 3.682 -7.194 1.00 0.00 C ATOM 422 CD1 ILE A 432 -4.214 2.911 -8.594 1.00 0.00 C ATOM 0 H ILE A 432 -5.062 0.267 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 432 -6.067 2.678 -4.806 1.00 0.00 H new ATOM 0 HB ILE A 432 -6.475 1.611 -7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -4.130 3.164 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -4.094 1.493 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -6.553 4.002 -8.217 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -7.825 3.572 -7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -6.365 4.429 -6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 432 -3.131 2.969 -8.701 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -4.613 2.196 -9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -4.650 3.893 -8.778 1.00 0.00 H new ATOM 434 N LYS A 433 -8.116 0.255 -5.264 1.00 0.00 N ATOM 435 CA LYS A 433 -9.495 -0.197 -5.115 1.00 0.00 C ATOM 436 C LYS A 433 -9.765 -0.661 -3.688 1.00 0.00 C ATOM 437 O LYS A 433 -10.907 -0.932 -3.320 1.00 0.00 O ATOM 438 CB LYS A 433 -9.789 -1.334 -6.096 1.00 0.00 C ATOM 439 CG LYS A 433 -11.020 -2.147 -5.734 1.00 0.00 C ATOM 440 CD LYS A 433 -11.276 -3.252 -6.745 1.00 0.00 C ATOM 441 CE LYS A 433 -10.568 -4.540 -6.353 1.00 0.00 C ATOM 442 NZ LYS A 433 -11.286 -5.258 -5.263 1.00 0.00 N ATOM 0 H LYS A 433 -7.427 -0.497 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 433 -10.152 0.644 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -9.920 -0.916 -7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -8.925 -1.998 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -10.891 -2.582 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -11.889 -1.491 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -12.348 -3.434 -6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.934 -2.933 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -10.487 -5.190 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -9.552 -4.312 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -10.612 -5.844 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -11.726 -4.566 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.023 -5.866 -5.674 1.00 0.00 H new ATOM 456 N GLN A 434 -8.706 -0.748 -2.888 1.00 0.00 N ATOM 457 CA GLN A 434 -8.831 -1.178 -1.501 1.00 0.00 C ATOM 458 C GLN A 434 -8.507 -0.034 -0.545 1.00 0.00 C ATOM 459 O GLN A 434 -8.958 -0.022 0.600 1.00 0.00 O ATOM 460 CB GLN A 434 -7.905 -2.364 -1.227 1.00 0.00 C ATOM 461 CG GLN A 434 -7.905 -2.815 0.224 1.00 0.00 C ATOM 462 CD GLN A 434 -9.247 -3.365 0.664 1.00 0.00 C ATOM 463 OE1 GLN A 434 -10.236 -2.635 0.742 1.00 0.00 O ATOM 464 NE2 GLN A 434 -9.290 -4.660 0.954 1.00 0.00 N ATOM 0 H GLN A 434 -7.753 -0.526 -3.177 1.00 0.00 H new ATOM 0 HA GLN A 434 -9.863 -1.486 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -8.204 -3.201 -1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -6.889 -2.095 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -7.140 -3.579 0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -7.635 -1.974 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -8.447 -5.228 0.876 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -10.166 -5.086 1.255 1.00 0.00 H new ATOM 473 N VAL A 435 -7.723 0.926 -1.024 1.00 0.00 N ATOM 474 CA VAL A 435 -7.339 2.075 -0.212 1.00 0.00 C ATOM 475 C VAL A 435 -7.907 3.368 -0.787 1.00 0.00 C ATOM 476 O VAL A 435 -8.293 4.273 -0.046 1.00 0.00 O ATOM 477 CB VAL A 435 -5.807 2.202 -0.107 1.00 0.00 C ATOM 478 CG1 VAL A 435 -5.428 3.283 0.893 1.00 0.00 C ATOM 479 CG2 VAL A 435 -5.188 0.867 0.278 1.00 0.00 C ATOM 0 H VAL A 435 -7.341 0.931 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 435 -7.751 1.911 0.784 1.00 0.00 H new ATOM 0 HB VAL A 435 -5.416 2.491 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -4.342 3.358 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -5.840 4.239 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -5.829 3.028 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -4.106 0.974 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -5.584 0.547 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.430 0.122 -0.479 1.00 0.00 H new ATOM 489 N HIS A 436 -7.955 3.449 -2.113 1.00 0.00 N ATOM 490 CA HIS A 436 -8.477 4.631 -2.788 1.00 0.00 C ATOM 491 C HIS A 436 -9.908 4.398 -3.265 1.00 0.00 C ATOM 492 O HIS A 436 -10.414 5.121 -4.123 1.00 0.00 O ATOM 493 CB HIS A 436 -7.586 5.002 -3.974 1.00 0.00 C ATOM 494 CG HIS A 436 -6.234 5.505 -3.574 1.00 0.00 C ATOM 495 ND1 HIS A 436 -6.050 6.570 -2.718 1.00 0.00 N ATOM 496 CD2 HIS A 436 -4.995 5.081 -3.916 1.00 0.00 C ATOM 497 CE1 HIS A 436 -4.756 6.780 -2.552 1.00 0.00 C ATOM 498 NE2 HIS A 436 -4.094 5.890 -3.267 1.00 0.00 N ATOM 0 H HIS A 436 -7.639 2.710 -2.741 1.00 0.00 H new ATOM 0 HA HIS A 436 -8.481 5.454 -2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 436 -7.465 4.128 -4.614 1.00 0.00 H new ATOM 0 HB3 HIS A 436 -8.087 5.765 -4.569 1.00 0.00 H new ATOM 0 HD1 HIS A 436 -6.796 7.111 -2.281 1.00 0.00 H new ATOM 0 HD2 HIS A 436 -4.759 4.260 -4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 436 -4.315 7.549 -1.936 1.00 0.00 H new ATOM 506 N THR A 437 -10.555 3.382 -2.702 1.00 0.00 N ATOM 507 CA THR A 437 -11.926 3.052 -3.070 1.00 0.00 C ATOM 508 C THR A 437 -12.926 3.797 -2.193 1.00 0.00 C ATOM 509 O THR A 437 -13.325 3.308 -1.136 1.00 0.00 O ATOM 510 CB THR A 437 -12.189 1.539 -2.957 1.00 0.00 C ATOM 511 OG1 THR A 437 -13.599 1.284 -2.964 1.00 0.00 O ATOM 512 CG2 THR A 437 -11.574 0.976 -1.684 1.00 0.00 C ATOM 0 H THR A 437 -10.151 2.774 -1.990 1.00 0.00 H new ATOM 0 HA THR A 437 -12.057 3.360 -4.107 1.00 0.00 H new ATOM 0 HB THR A 437 -11.727 1.048 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A 437 -13.757 0.319 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 437 -11.773 -0.094 -1.626 1.00 0.00 H new ATOM 0 HG22 THR A 437 -10.497 1.145 -1.695 1.00 0.00 H new ATOM 0 HG23 THR A 437 -12.011 1.473 -0.818 1.00 0.00 H new ATOM 520 N SER A 438 -13.328 4.983 -2.639 1.00 0.00 N ATOM 521 CA SER A 438 -14.279 5.798 -1.892 1.00 0.00 C ATOM 522 C SER A 438 -14.861 6.899 -2.773 1.00 0.00 C ATOM 523 O SER A 438 -14.435 7.086 -3.913 1.00 0.00 O ATOM 524 CB SER A 438 -13.603 6.414 -0.666 1.00 0.00 C ATOM 525 OG SER A 438 -12.785 7.512 -1.032 1.00 0.00 O ATOM 0 H SER A 438 -13.010 5.401 -3.514 1.00 0.00 H new ATOM 0 HA SER A 438 -15.093 5.152 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 438 -14.361 6.743 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 438 -13.000 5.659 -0.162 1.00 0.00 H new ATOM 0 HG SER A 438 -12.366 7.889 -0.230 1.00 0.00 H new ATOM 531 N GLU A 439 -15.836 7.625 -2.236 1.00 0.00 N ATOM 532 CA GLU A 439 -16.477 8.707 -2.974 1.00 0.00 C ATOM 533 C GLU A 439 -15.702 10.011 -2.810 1.00 0.00 C ATOM 534 O GLU A 439 -15.349 10.400 -1.696 1.00 0.00 O ATOM 535 CB GLU A 439 -17.919 8.895 -2.498 1.00 0.00 C ATOM 536 CG GLU A 439 -18.801 9.623 -3.499 1.00 0.00 C ATOM 537 CD GLU A 439 -19.979 10.315 -2.844 1.00 0.00 C ATOM 538 OE1 GLU A 439 -19.865 10.682 -1.655 1.00 0.00 O ATOM 539 OE2 GLU A 439 -21.016 10.490 -3.518 1.00 0.00 O ATOM 0 H GLU A 439 -16.199 7.484 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 439 -16.483 8.438 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -18.353 7.918 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -17.914 9.450 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -18.203 10.360 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -19.168 8.912 -4.239 1.00 0.00 H new ATOM 546 N ARG A 440 -15.440 10.682 -3.927 1.00 0.00 N ATOM 547 CA ARG A 440 -14.705 11.941 -3.908 1.00 0.00 C ATOM 548 C ARG A 440 -15.298 12.932 -4.905 1.00 0.00 C ATOM 549 O ARG A 440 -15.861 12.555 -5.933 1.00 0.00 O ATOM 550 CB ARG A 440 -13.229 11.700 -4.230 1.00 0.00 C ATOM 551 CG ARG A 440 -12.531 10.783 -3.238 1.00 0.00 C ATOM 552 CD ARG A 440 -11.162 10.355 -3.743 1.00 0.00 C ATOM 553 NE ARG A 440 -10.367 9.720 -2.695 1.00 0.00 N ATOM 554 CZ ARG A 440 -9.046 9.587 -2.754 1.00 0.00 C ATOM 555 NH1 ARG A 440 -8.377 10.043 -3.804 1.00 0.00 N ATOM 556 NH2 ARG A 440 -8.393 8.997 -1.761 1.00 0.00 N ATOM 0 H ARG A 440 -15.726 10.375 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 440 -14.787 12.365 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -13.149 11.269 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -12.710 12.658 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -12.424 11.294 -2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -13.147 9.901 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -11.283 9.663 -4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -10.629 11.225 -4.126 1.00 0.00 H new ATOM 0 HE ARG A 440 -10.852 9.359 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -8.876 10.497 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -7.363 9.940 -3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -8.905 8.645 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -7.379 8.895 -1.807 1.00 0.00 H new ATOM 570 N PRO A 441 -15.171 14.231 -4.596 1.00 0.00 N ATOM 571 CA PRO A 441 -15.689 15.303 -5.451 1.00 0.00 C ATOM 572 C PRO A 441 -14.905 15.435 -6.752 1.00 0.00 C ATOM 573 O PRO A 441 -13.920 16.172 -6.823 1.00 0.00 O ATOM 574 CB PRO A 441 -15.515 16.558 -4.592 1.00 0.00 C ATOM 575 CG PRO A 441 -14.400 16.228 -3.660 1.00 0.00 C ATOM 576 CD PRO A 441 -14.513 14.753 -3.387 1.00 0.00 C ATOM 0 HA PRO A 441 -16.719 15.119 -5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 441 -15.275 17.427 -5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 441 -16.429 16.795 -4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 441 -13.435 16.470 -4.105 1.00 0.00 H new ATOM 0 HG3 PRO A 441 -14.479 16.803 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 441 -13.535 14.297 -3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 441 -15.102 14.554 -2.492 1.00 0.00 H new ATOM 584 N HIS A 442 -15.347 14.718 -7.780 1.00 0.00 N ATOM 585 CA HIS A 442 -14.687 14.757 -9.080 1.00 0.00 C ATOM 586 C HIS A 442 -15.398 15.724 -10.022 1.00 0.00 C ATOM 587 O HIS A 442 -16.615 15.657 -10.195 1.00 0.00 O ATOM 588 CB HIS A 442 -14.648 13.359 -9.698 1.00 0.00 C ATOM 589 CG HIS A 442 -13.624 12.459 -9.081 1.00 0.00 C ATOM 590 ND1 HIS A 442 -12.312 12.836 -8.882 1.00 0.00 N ATOM 591 CD2 HIS A 442 -13.724 11.192 -8.615 1.00 0.00 C ATOM 592 CE1 HIS A 442 -11.650 11.839 -8.322 1.00 0.00 C ATOM 593 NE2 HIS A 442 -12.484 10.830 -8.149 1.00 0.00 N ATOM 0 H HIS A 442 -16.160 14.103 -7.738 1.00 0.00 H new ATOM 0 HA HIS A 442 -13.666 15.108 -8.931 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -15.631 12.899 -9.598 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -14.445 13.448 -10.765 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -14.614 10.580 -8.611 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -10.604 11.848 -8.052 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -12.246 9.928 -7.736 1.00 0.00 H new ATOM 601 N LYS A 443 -14.631 16.623 -10.629 1.00 0.00 N ATOM 602 CA LYS A 443 -15.186 17.604 -11.554 1.00 0.00 C ATOM 603 C LYS A 443 -15.919 16.916 -12.701 1.00 0.00 C ATOM 604 O LYS A 443 -15.727 15.725 -12.947 1.00 0.00 O ATOM 605 CB LYS A 443 -14.075 18.499 -12.109 1.00 0.00 C ATOM 606 CG LYS A 443 -13.400 19.356 -11.052 1.00 0.00 C ATOM 607 CD LYS A 443 -14.349 20.405 -10.496 1.00 0.00 C ATOM 608 CE LYS A 443 -13.729 21.153 -9.326 1.00 0.00 C ATOM 609 NZ LYS A 443 -14.261 22.539 -9.209 1.00 0.00 N ATOM 0 H LYS A 443 -13.622 16.693 -10.497 1.00 0.00 H new ATOM 0 HA LYS A 443 -15.900 18.219 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -13.324 17.874 -12.592 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -14.493 19.148 -12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -13.042 18.721 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -12.526 19.846 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -14.613 21.112 -11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -15.274 19.926 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -13.926 20.609 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -12.647 21.189 -9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -13.814 23.015 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -14.051 23.066 -10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -15.290 22.505 -9.065 1.00 0.00 H new ATOM 623 N CYS A 444 -16.758 17.673 -13.400 1.00 0.00 N ATOM 624 CA CYS A 444 -17.519 17.136 -14.522 1.00 0.00 C ATOM 625 C CYS A 444 -16.590 16.698 -15.649 1.00 0.00 C ATOM 626 O CYS A 444 -16.369 17.438 -16.607 1.00 0.00 O ATOM 627 CB CYS A 444 -18.511 18.179 -15.038 1.00 0.00 C ATOM 628 SG CYS A 444 -19.743 18.693 -13.819 1.00 0.00 S ATOM 0 H CYS A 444 -16.928 18.660 -13.209 1.00 0.00 H new ATOM 0 HA CYS A 444 -18.070 16.264 -14.171 1.00 0.00 H new ATOM 0 HB2 CYS A 444 -17.958 19.057 -15.372 1.00 0.00 H new ATOM 0 HB3 CYS A 444 -19.025 17.775 -15.910 1.00 0.00 H new ATOM 0 HG CYS A 444 -20.535 19.578 -14.349 1.00 0.00 H new ATOM 634 N GLN A 445 -16.048 15.490 -15.527 1.00 0.00 N ATOM 635 CA GLN A 445 -15.141 14.955 -16.535 1.00 0.00 C ATOM 636 C GLN A 445 -15.909 14.187 -17.606 1.00 0.00 C ATOM 637 O GLN A 445 -15.454 13.149 -18.086 1.00 0.00 O ATOM 638 CB GLN A 445 -14.101 14.042 -15.883 1.00 0.00 C ATOM 639 CG GLN A 445 -14.707 12.965 -14.997 1.00 0.00 C ATOM 640 CD GLN A 445 -15.728 12.115 -15.728 1.00 0.00 C ATOM 641 OE1 GLN A 445 -15.375 11.287 -16.569 1.00 0.00 O ATOM 642 NE2 GLN A 445 -17.001 12.315 -15.410 1.00 0.00 N ATOM 0 H GLN A 445 -16.221 14.864 -14.740 1.00 0.00 H new ATOM 0 HA GLN A 445 -14.631 15.793 -17.010 1.00 0.00 H new ATOM 0 HB2 GLN A 445 -13.507 13.567 -16.663 1.00 0.00 H new ATOM 0 HB3 GLN A 445 -13.419 14.649 -15.288 1.00 0.00 H new ATOM 0 HG2 GLN A 445 -13.912 12.324 -14.615 1.00 0.00 H new ATOM 0 HG3 GLN A 445 -15.181 13.433 -14.134 1.00 0.00 H new ATOM 0 HE21 GLN A 445 -17.248 13.012 -14.707 1.00 0.00 H new ATOM 0 HE22 GLN A 445 -17.733 11.772 -15.868 1.00 0.00 H new ATOM 651 N VAL A 446 -17.076 14.704 -17.975 1.00 0.00 N ATOM 652 CA VAL A 446 -17.907 14.068 -18.990 1.00 0.00 C ATOM 653 C VAL A 446 -18.875 15.067 -19.613 1.00 0.00 C ATOM 654 O VAL A 446 -19.447 15.908 -18.920 1.00 0.00 O ATOM 655 CB VAL A 446 -18.709 12.891 -18.402 1.00 0.00 C ATOM 656 CG1 VAL A 446 -19.591 13.365 -17.257 1.00 0.00 C ATOM 657 CG2 VAL A 446 -19.540 12.220 -19.484 1.00 0.00 C ATOM 0 H VAL A 446 -17.468 15.562 -17.586 1.00 0.00 H new ATOM 0 HA VAL A 446 -17.233 13.691 -19.760 1.00 0.00 H new ATOM 0 HB VAL A 446 -18.007 12.156 -18.008 1.00 0.00 H new ATOM 0 HG11 VAL A 446 -20.150 12.520 -16.854 1.00 0.00 H new ATOM 0 HG12 VAL A 446 -18.969 13.795 -16.472 1.00 0.00 H new ATOM 0 HG13 VAL A 446 -20.288 14.120 -17.623 1.00 0.00 H new ATOM 0 HG21 VAL A 446 -20.100 11.391 -19.051 1.00 0.00 H new ATOM 0 HG22 VAL A 446 -20.235 12.944 -19.910 1.00 0.00 H new ATOM 0 HG23 VAL A 446 -18.882 11.844 -20.267 1.00 0.00 H new ATOM 667 N TRP A 447 -19.056 14.968 -20.925 1.00 0.00 N ATOM 668 CA TRP A 447 -19.956 15.863 -21.643 1.00 0.00 C ATOM 669 C TRP A 447 -21.170 16.213 -20.789 1.00 0.00 C ATOM 670 O TRP A 447 -21.366 17.369 -20.416 1.00 0.00 O ATOM 671 CB TRP A 447 -20.408 15.221 -22.956 1.00 0.00 C ATOM 672 CG TRP A 447 -21.673 15.811 -23.501 1.00 0.00 C ATOM 673 CD1 TRP A 447 -22.842 15.152 -23.754 1.00 0.00 C ATOM 674 CD2 TRP A 447 -21.895 17.179 -23.861 1.00 0.00 C ATOM 675 NE1 TRP A 447 -23.777 16.027 -24.251 1.00 0.00 N ATOM 676 CE2 TRP A 447 -23.222 17.277 -24.325 1.00 0.00 C ATOM 677 CE3 TRP A 447 -21.104 18.330 -23.836 1.00 0.00 C ATOM 678 CZ2 TRP A 447 -23.771 18.480 -24.760 1.00 0.00 C ATOM 679 CZ3 TRP A 447 -21.650 19.524 -24.267 1.00 0.00 C ATOM 680 CH2 TRP A 447 -22.973 19.592 -24.724 1.00 0.00 C ATOM 0 H TRP A 447 -18.591 14.277 -21.513 1.00 0.00 H new ATOM 0 HA TRP A 447 -19.414 16.782 -21.865 1.00 0.00 H new ATOM 0 HB2 TRP A 447 -19.616 15.330 -23.697 1.00 0.00 H new ATOM 0 HB3 TRP A 447 -20.552 14.152 -22.799 1.00 0.00 H new ATOM 0 HD1 TRP A 447 -23.007 14.098 -23.588 1.00 0.00 H new ATOM 0 HE1 TRP A 447 -24.730 15.785 -24.521 1.00 0.00 H new ATOM 0 HE3 TRP A 447 -20.083 18.287 -23.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 447 -24.790 18.534 -25.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 447 -21.047 20.420 -24.251 1.00 0.00 H new ATOM 0 HH2 TRP A 447 -23.371 20.540 -25.054 1.00 0.00 H new ATOM 691 N VAL A 448 -21.983 15.206 -20.484 1.00 0.00 N ATOM 692 CA VAL A 448 -23.178 15.408 -19.673 1.00 0.00 C ATOM 693 C VAL A 448 -23.441 14.205 -18.773 1.00 0.00 C ATOM 694 O VAL A 448 -23.703 13.103 -19.254 1.00 0.00 O ATOM 695 CB VAL A 448 -24.417 15.657 -20.552 1.00 0.00 C ATOM 696 CG1 VAL A 448 -25.660 15.823 -19.690 1.00 0.00 C ATOM 697 CG2 VAL A 448 -24.206 16.877 -21.436 1.00 0.00 C ATOM 0 H VAL A 448 -21.836 14.243 -20.786 1.00 0.00 H new ATOM 0 HA VAL A 448 -22.997 16.288 -19.056 1.00 0.00 H new ATOM 0 HB VAL A 448 -24.564 14.790 -21.196 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -26.525 15.998 -20.329 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -25.819 14.918 -19.103 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -25.527 16.672 -19.019 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -25.092 17.038 -22.051 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -24.033 17.753 -20.811 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -23.342 16.714 -22.080 1.00 0.00 H new ATOM 707 N SER A 449 -23.369 14.425 -17.464 1.00 0.00 N ATOM 708 CA SER A 449 -23.596 13.359 -16.496 1.00 0.00 C ATOM 709 C SER A 449 -25.007 13.437 -15.922 1.00 0.00 C ATOM 710 O SER A 449 -25.704 12.429 -15.818 1.00 0.00 O ATOM 711 CB SER A 449 -22.568 13.440 -15.366 1.00 0.00 C ATOM 712 OG SER A 449 -22.735 12.374 -14.447 1.00 0.00 O ATOM 0 H SER A 449 -23.155 15.332 -17.050 1.00 0.00 H new ATOM 0 HA SER A 449 -23.485 12.405 -17.011 1.00 0.00 H new ATOM 0 HB2 SER A 449 -21.561 13.410 -15.783 1.00 0.00 H new ATOM 0 HB3 SER A 449 -22.669 14.392 -14.845 1.00 0.00 H new ATOM 0 HG SER A 449 -22.065 12.448 -13.735 1.00 0.00 H new ATOM 718 N GLY A 450 -25.422 14.645 -15.550 1.00 0.00 N ATOM 719 CA GLY A 450 -26.747 14.834 -14.991 1.00 0.00 C ATOM 720 C GLY A 450 -26.974 16.252 -14.504 1.00 0.00 C ATOM 721 O GLY A 450 -26.034 17.023 -14.311 1.00 0.00 O ATOM 0 H GLY A 450 -24.864 15.495 -15.626 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -27.495 14.588 -15.745 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -26.891 14.141 -14.162 1.00 0.00 H new ATOM 725 N PRO A 451 -28.249 16.615 -14.301 1.00 0.00 N ATOM 726 CA PRO A 451 -28.627 17.952 -13.833 1.00 0.00 C ATOM 727 C PRO A 451 -28.224 18.194 -12.383 1.00 0.00 C ATOM 728 O PRO A 451 -28.495 17.371 -11.508 1.00 0.00 O ATOM 729 CB PRO A 451 -30.151 17.960 -13.974 1.00 0.00 C ATOM 730 CG PRO A 451 -30.546 16.526 -13.889 1.00 0.00 C ATOM 731 CD PRO A 451 -29.421 15.748 -14.512 1.00 0.00 C ATOM 0 HA PRO A 451 -28.129 18.738 -14.401 1.00 0.00 H new ATOM 0 HB2 PRO A 451 -30.619 18.547 -13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 451 -30.459 18.400 -14.923 1.00 0.00 H new ATOM 0 HG2 PRO A 451 -30.701 16.225 -12.853 1.00 0.00 H new ATOM 0 HG3 PRO A 451 -31.483 16.348 -14.417 1.00 0.00 H new ATOM 0 HD2 PRO A 451 -29.293 14.776 -14.036 1.00 0.00 H new ATOM 0 HD3 PRO A 451 -29.599 15.563 -15.571 1.00 0.00 H new ATOM 739 N SER A 452 -27.577 19.328 -12.134 1.00 0.00 N ATOM 740 CA SER A 452 -27.134 19.676 -10.789 1.00 0.00 C ATOM 741 C SER A 452 -27.449 21.135 -10.474 1.00 0.00 C ATOM 742 O SER A 452 -26.883 22.048 -11.074 1.00 0.00 O ATOM 743 CB SER A 452 -25.632 19.424 -10.642 1.00 0.00 C ATOM 744 OG SER A 452 -24.884 20.318 -11.448 1.00 0.00 O ATOM 0 H SER A 452 -27.348 20.021 -12.846 1.00 0.00 H new ATOM 0 HA SER A 452 -27.672 19.045 -10.082 1.00 0.00 H new ATOM 0 HB2 SER A 452 -25.341 19.540 -9.598 1.00 0.00 H new ATOM 0 HB3 SER A 452 -25.403 18.396 -10.924 1.00 0.00 H new ATOM 0 HG SER A 452 -25.342 21.183 -11.488 1.00 0.00 H new ATOM 750 N SER A 453 -28.358 21.346 -9.527 1.00 0.00 N ATOM 751 CA SER A 453 -28.753 22.693 -9.133 1.00 0.00 C ATOM 752 C SER A 453 -27.564 23.465 -8.568 1.00 0.00 C ATOM 753 O SER A 453 -27.348 24.628 -8.904 1.00 0.00 O ATOM 754 CB SER A 453 -29.877 22.636 -8.097 1.00 0.00 C ATOM 755 OG SER A 453 -30.248 23.937 -7.674 1.00 0.00 O ATOM 0 H SER A 453 -28.835 20.601 -9.019 1.00 0.00 H new ATOM 0 HA SER A 453 -29.113 23.213 -10.021 1.00 0.00 H new ATOM 0 HB2 SER A 453 -30.742 22.128 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 453 -29.554 22.049 -7.237 1.00 0.00 H new ATOM 0 HG SER A 453 -30.969 23.873 -7.013 1.00 0.00 H new ATOM 761 N GLY A 454 -26.795 22.806 -7.707 1.00 0.00 N ATOM 762 CA GLY A 454 -25.637 23.444 -7.108 1.00 0.00 C ATOM 763 C GLY A 454 -24.330 22.884 -7.633 1.00 0.00 C ATOM 764 O GLY A 454 -24.273 21.740 -8.082 1.00 0.00 O ATOM 0 H GLY A 454 -26.953 21.842 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -25.674 24.516 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -25.675 23.316 -6.026 1.00 0.00 H new TER 768 GLY A 454 HETATM 769 ZN ZN A 201 -2.419 5.056 -3.623 1.00 0.00 ZN