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 180:sc= 0 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= 0.603 K(o=0.6,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=-0.000311 USER MOD Single : A 427 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-4.4!) USER MOD Single : A 429 ASN : amide:sc= -3.81 K(o=-3.8,f=-7.1!) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 434 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.061) USER MOD Single : A 437 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 HIS : no HD1:sc= -1.05 X(o=-1,f=-0.9) USER MOD Single : A 443 LYS NZ :NH3+ -128:sc= -0.553! (180deg=-4.41!) USER MOD Single : A 444 CYS SG : rot 30:sc= 0.108 USER MOD Single : A 445 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot -101:sc= 0.0471 USER MOD Single : A 453 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 401 10.574 24.194 -1.704 1.00 0.00 N ATOM 2 CA GLY A 401 10.223 23.314 -0.605 1.00 0.00 C ATOM 3 C GLY A 401 9.657 21.991 -1.080 1.00 0.00 C ATOM 4 O GLY A 401 8.708 21.469 -0.495 1.00 0.00 O ATOM 0 HA2 GLY A 401 11.107 23.129 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 401 9.492 23.810 0.034 1.00 0.00 H new ATOM 8 N SER A 402 10.239 21.448 -2.144 1.00 0.00 N ATOM 9 CA SER A 402 9.783 20.179 -2.701 1.00 0.00 C ATOM 10 C SER A 402 10.966 19.319 -3.133 1.00 0.00 C ATOM 11 O SER A 402 11.691 19.663 -4.066 1.00 0.00 O ATOM 12 CB SER A 402 8.855 20.426 -3.892 1.00 0.00 C ATOM 13 OG SER A 402 7.523 20.651 -3.464 1.00 0.00 O ATOM 0 H SER A 402 11.027 21.866 -2.638 1.00 0.00 H new ATOM 0 HA SER A 402 9.233 19.646 -1.925 1.00 0.00 H new ATOM 0 HB2 SER A 402 9.208 21.287 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 402 8.884 19.568 -4.564 1.00 0.00 H new ATOM 0 HG SER A 402 6.951 20.808 -4.244 1.00 0.00 H new ATOM 19 N SER A 403 11.155 18.196 -2.446 1.00 0.00 N ATOM 20 CA SER A 403 12.252 17.287 -2.755 1.00 0.00 C ATOM 21 C SER A 403 12.043 16.625 -4.113 1.00 0.00 C ATOM 22 O SER A 403 10.941 16.638 -4.660 1.00 0.00 O ATOM 23 CB SER A 403 12.377 16.218 -1.667 1.00 0.00 C ATOM 24 OG SER A 403 11.329 15.269 -1.762 1.00 0.00 O ATOM 0 H SER A 403 10.563 17.895 -1.672 1.00 0.00 H new ATOM 0 HA SER A 403 13.174 17.868 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 403 13.339 15.713 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 403 12.356 16.690 -0.685 1.00 0.00 H new ATOM 0 HG SER A 403 11.432 14.596 -1.057 1.00 0.00 H new ATOM 30 N GLY A 404 13.111 16.046 -4.653 1.00 0.00 N ATOM 31 CA GLY A 404 13.025 15.387 -5.943 1.00 0.00 C ATOM 32 C GLY A 404 14.341 14.763 -6.365 1.00 0.00 C ATOM 33 O GLY A 404 14.913 15.138 -7.388 1.00 0.00 O ATOM 0 H GLY A 404 14.034 16.022 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 404 12.257 14.615 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 404 12.711 16.110 -6.696 1.00 0.00 H new ATOM 37 N SER A 405 14.823 13.810 -5.573 1.00 0.00 N ATOM 38 CA SER A 405 16.083 13.138 -5.867 1.00 0.00 C ATOM 39 C SER A 405 15.863 11.644 -6.088 1.00 0.00 C ATOM 40 O SER A 405 15.545 10.908 -5.154 1.00 0.00 O ATOM 41 CB SER A 405 17.080 13.355 -4.727 1.00 0.00 C ATOM 42 OG SER A 405 18.400 13.045 -5.137 1.00 0.00 O ATOM 0 H SER A 405 14.360 13.486 -4.724 1.00 0.00 H new ATOM 0 HA SER A 405 16.490 13.567 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 405 17.034 14.391 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 405 16.805 12.732 -3.876 1.00 0.00 H new ATOM 0 HG SER A 405 19.018 13.194 -4.391 1.00 0.00 H new ATOM 48 N SER A 406 16.036 11.204 -7.330 1.00 0.00 N ATOM 49 CA SER A 406 15.853 9.800 -7.676 1.00 0.00 C ATOM 50 C SER A 406 16.717 9.418 -8.874 1.00 0.00 C ATOM 51 O SER A 406 16.741 10.119 -9.885 1.00 0.00 O ATOM 52 CB SER A 406 14.381 9.516 -7.983 1.00 0.00 C ATOM 53 OG SER A 406 14.170 8.138 -8.237 1.00 0.00 O ATOM 0 H SER A 406 16.303 11.800 -8.114 1.00 0.00 H new ATOM 0 HA SER A 406 16.161 9.198 -6.821 1.00 0.00 H new ATOM 0 HB2 SER A 406 13.763 9.833 -7.143 1.00 0.00 H new ATOM 0 HB3 SER A 406 14.067 10.101 -8.848 1.00 0.00 H new ATOM 0 HG SER A 406 13.222 7.982 -8.429 1.00 0.00 H new ATOM 59 N GLY A 407 17.427 8.300 -8.752 1.00 0.00 N ATOM 60 CA GLY A 407 18.283 7.844 -9.830 1.00 0.00 C ATOM 61 C GLY A 407 18.096 6.371 -10.135 1.00 0.00 C ATOM 62 O GLY A 407 17.732 6.002 -11.252 1.00 0.00 O ATOM 0 H GLY A 407 17.424 7.703 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 407 18.074 8.427 -10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 407 19.324 8.028 -9.566 1.00 0.00 H new ATOM 66 N SER A 408 18.348 5.526 -9.140 1.00 0.00 N ATOM 67 CA SER A 408 18.211 4.084 -9.309 1.00 0.00 C ATOM 68 C SER A 408 16.808 3.724 -9.789 1.00 0.00 C ATOM 69 O SER A 408 15.825 4.351 -9.395 1.00 0.00 O ATOM 70 CB SER A 408 18.512 3.364 -7.993 1.00 0.00 C ATOM 71 OG SER A 408 18.496 1.957 -8.166 1.00 0.00 O ATOM 0 H SER A 408 18.648 5.815 -8.209 1.00 0.00 H new ATOM 0 HA SER A 408 18.928 3.762 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 408 19.487 3.676 -7.619 1.00 0.00 H new ATOM 0 HB3 SER A 408 17.776 3.650 -7.242 1.00 0.00 H new ATOM 0 HG SER A 408 18.693 1.520 -7.311 1.00 0.00 H new ATOM 77 N VAL A 409 16.724 2.709 -10.643 1.00 0.00 N ATOM 78 CA VAL A 409 15.443 2.263 -11.177 1.00 0.00 C ATOM 79 C VAL A 409 14.646 1.498 -10.127 1.00 0.00 C ATOM 80 O VAL A 409 15.205 0.727 -9.349 1.00 0.00 O ATOM 81 CB VAL A 409 15.632 1.368 -12.416 1.00 0.00 C ATOM 82 CG1 VAL A 409 16.281 2.151 -13.547 1.00 0.00 C ATOM 83 CG2 VAL A 409 16.457 0.139 -12.064 1.00 0.00 C ATOM 0 H VAL A 409 17.528 2.180 -10.980 1.00 0.00 H new ATOM 0 HA VAL A 409 14.892 3.158 -11.466 1.00 0.00 H new ATOM 0 HB VAL A 409 14.651 1.034 -12.755 1.00 0.00 H new ATOM 0 HG11 VAL A 409 16.406 1.502 -14.414 1.00 0.00 H new ATOM 0 HG12 VAL A 409 15.647 2.996 -13.815 1.00 0.00 H new ATOM 0 HG13 VAL A 409 17.256 2.517 -13.224 1.00 0.00 H new ATOM 0 HG21 VAL A 409 16.581 -0.482 -12.951 1.00 0.00 H new ATOM 0 HG22 VAL A 409 17.436 0.450 -11.699 1.00 0.00 H new ATOM 0 HG23 VAL A 409 15.946 -0.432 -11.289 1.00 0.00 H new ATOM 93 N GLY A 410 13.334 1.715 -10.112 1.00 0.00 N ATOM 94 CA GLY A 410 12.481 1.038 -9.154 1.00 0.00 C ATOM 95 C GLY A 410 11.071 0.837 -9.673 1.00 0.00 C ATOM 96 O GLY A 410 10.821 0.952 -10.873 1.00 0.00 O ATOM 0 H GLY A 410 12.847 2.348 -10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 410 12.915 0.069 -8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 410 12.446 1.617 -8.231 1.00 0.00 H new ATOM 100 N LYS A 411 10.147 0.532 -8.769 1.00 0.00 N ATOM 101 CA LYS A 411 8.754 0.313 -9.141 1.00 0.00 C ATOM 102 C LYS A 411 8.231 1.466 -9.993 1.00 0.00 C ATOM 103 O LYS A 411 7.994 2.571 -9.505 1.00 0.00 O ATOM 104 CB LYS A 411 7.888 0.156 -7.889 1.00 0.00 C ATOM 105 CG LYS A 411 7.801 -1.274 -7.386 1.00 0.00 C ATOM 106 CD LYS A 411 9.018 -1.649 -6.557 1.00 0.00 C ATOM 107 CE LYS A 411 10.120 -2.241 -7.421 1.00 0.00 C ATOM 108 NZ LYS A 411 11.014 -3.141 -6.641 1.00 0.00 N ATOM 0 H LYS A 411 10.338 0.431 -7.772 1.00 0.00 H new ATOM 0 HA LYS A 411 8.701 -0.604 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 411 8.291 0.787 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 411 6.883 0.518 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 411 6.899 -1.395 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 411 7.713 -1.954 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.394 -0.766 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 411 8.730 -2.368 -5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.675 -2.797 -8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.709 -1.436 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 11.752 -3.524 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 11.459 -2.605 -5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 10.457 -3.924 -6.243 1.00 0.00 H new ATOM 122 N PRO A 412 8.044 1.203 -11.295 1.00 0.00 N ATOM 123 CA PRO A 412 7.545 2.206 -12.240 1.00 0.00 C ATOM 124 C PRO A 412 6.079 2.551 -11.999 1.00 0.00 C ATOM 125 O PRO A 412 5.713 3.724 -11.915 1.00 0.00 O ATOM 126 CB PRO A 412 7.717 1.527 -13.601 1.00 0.00 C ATOM 127 CG PRO A 412 7.683 0.067 -13.303 1.00 0.00 C ATOM 128 CD PRO A 412 8.305 -0.092 -11.944 1.00 0.00 C ATOM 0 HA PRO A 412 8.078 3.152 -12.149 1.00 0.00 H new ATOM 0 HB2 PRO A 412 6.919 1.810 -14.288 1.00 0.00 H new ATOM 0 HB3 PRO A 412 8.658 1.813 -14.070 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.660 -0.309 -13.311 1.00 0.00 H new ATOM 0 HG3 PRO A 412 8.236 -0.498 -14.054 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.856 -0.916 -11.391 1.00 0.00 H new ATOM 0 HD3 PRO A 412 9.373 -0.299 -12.013 1.00 0.00 H new ATOM 136 N TYR A 413 5.245 1.524 -11.889 1.00 0.00 N ATOM 137 CA TYR A 413 3.818 1.719 -11.659 1.00 0.00 C ATOM 138 C TYR A 413 3.576 2.503 -10.373 1.00 0.00 C ATOM 139 O TYR A 413 3.441 1.922 -9.295 1.00 0.00 O ATOM 140 CB TYR A 413 3.102 0.369 -11.590 1.00 0.00 C ATOM 141 CG TYR A 413 3.080 -0.374 -12.906 1.00 0.00 C ATOM 142 CD1 TYR A 413 3.820 0.077 -13.993 1.00 0.00 C ATOM 143 CD2 TYR A 413 2.321 -1.527 -13.064 1.00 0.00 C ATOM 144 CE1 TYR A 413 3.802 -0.598 -15.198 1.00 0.00 C ATOM 145 CE2 TYR A 413 2.298 -2.209 -14.265 1.00 0.00 C ATOM 146 CZ TYR A 413 3.040 -1.740 -15.329 1.00 0.00 C ATOM 147 OH TYR A 413 3.020 -2.416 -16.527 1.00 0.00 O ATOM 0 H TYR A 413 5.532 0.547 -11.955 1.00 0.00 H new ATOM 0 HA TYR A 413 3.416 2.293 -12.494 1.00 0.00 H new ATOM 0 HB2 TYR A 413 3.590 -0.253 -10.840 1.00 0.00 H new ATOM 0 HB3 TYR A 413 2.077 0.528 -11.255 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.419 0.970 -13.894 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.739 -1.897 -12.233 1.00 0.00 H new ATOM 0 HE1 TYR A 413 4.382 -0.233 -16.033 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.703 -3.104 -14.370 1.00 0.00 H new ATOM 0 HH TYR A 413 2.435 -3.199 -16.451 1.00 0.00 H new ATOM 157 N ILE A 414 3.520 3.825 -10.495 1.00 0.00 N ATOM 158 CA ILE A 414 3.292 4.689 -9.344 1.00 0.00 C ATOM 159 C ILE A 414 1.828 5.106 -9.251 1.00 0.00 C ATOM 160 O ILE A 414 1.248 5.594 -10.221 1.00 0.00 O ATOM 161 CB ILE A 414 4.171 5.952 -9.406 1.00 0.00 C ATOM 162 CG1 ILE A 414 5.651 5.575 -9.314 1.00 0.00 C ATOM 163 CG2 ILE A 414 3.794 6.915 -8.289 1.00 0.00 C ATOM 164 CD1 ILE A 414 5.942 4.518 -8.272 1.00 0.00 C ATOM 0 H ILE A 414 3.629 4.321 -11.380 1.00 0.00 H new ATOM 0 HA ILE A 414 3.560 4.113 -8.458 1.00 0.00 H new ATOM 0 HB ILE A 414 4.001 6.449 -10.361 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.987 5.217 -10.287 1.00 0.00 H new ATOM 0 HG13 ILE A 414 6.232 6.469 -9.085 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.424 7.803 -8.346 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.749 7.204 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.939 6.428 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 414 7.010 4.301 -8.263 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.637 4.881 -7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.389 3.610 -8.511 1.00 0.00 H new ATOM 176 N CYS A 415 1.237 4.912 -8.077 1.00 0.00 N ATOM 177 CA CYS A 415 -0.159 5.269 -7.855 1.00 0.00 C ATOM 178 C CYS A 415 -0.399 6.744 -8.161 1.00 0.00 C ATOM 179 O CYS A 415 0.321 7.614 -7.672 1.00 0.00 O ATOM 180 CB CYS A 415 -0.561 4.964 -6.411 1.00 0.00 C ATOM 181 SG CYS A 415 -2.361 4.942 -6.129 1.00 0.00 S ATOM 0 H CYS A 415 1.703 4.509 -7.264 1.00 0.00 H new ATOM 0 HA CYS A 415 -0.773 4.672 -8.530 1.00 0.00 H new ATOM 0 HB2 CYS A 415 -0.148 3.996 -6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 415 -0.110 5.708 -5.755 1.00 0.00 H new ATOM 186 N GLN A 416 -1.415 7.017 -8.973 1.00 0.00 N ATOM 187 CA GLN A 416 -1.749 8.387 -9.345 1.00 0.00 C ATOM 188 C GLN A 416 -2.718 9.002 -8.341 1.00 0.00 C ATOM 189 O GLN A 416 -3.406 9.977 -8.645 1.00 0.00 O ATOM 190 CB GLN A 416 -2.358 8.423 -10.748 1.00 0.00 C ATOM 191 CG GLN A 416 -1.490 7.759 -11.805 1.00 0.00 C ATOM 192 CD GLN A 416 -0.259 8.575 -12.147 1.00 0.00 C ATOM 193 OE1 GLN A 416 -0.330 9.536 -12.913 1.00 0.00 O ATOM 194 NE2 GLN A 416 0.879 8.195 -11.578 1.00 0.00 N ATOM 0 H GLN A 416 -2.021 6.308 -9.386 1.00 0.00 H new ATOM 0 HA GLN A 416 -0.830 8.973 -9.341 1.00 0.00 H new ATOM 0 HB2 GLN A 416 -3.330 7.930 -10.726 1.00 0.00 H new ATOM 0 HB3 GLN A 416 -2.533 9.461 -11.033 1.00 0.00 H new ATOM 0 HG2 GLN A 416 -1.182 6.775 -11.451 1.00 0.00 H new ATOM 0 HG3 GLN A 416 -2.080 7.603 -12.708 1.00 0.00 H new ATOM 0 HE21 GLN A 416 0.892 7.392 -10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 416 1.741 8.706 -11.770 1.00 0.00 H new ATOM 203 N SER A 417 -2.769 8.425 -7.145 1.00 0.00 N ATOM 204 CA SER A 417 -3.657 8.914 -6.097 1.00 0.00 C ATOM 205 C SER A 417 -2.858 9.440 -4.908 1.00 0.00 C ATOM 206 O SER A 417 -3.154 10.507 -4.369 1.00 0.00 O ATOM 207 CB SER A 417 -4.602 7.801 -5.639 1.00 0.00 C ATOM 208 OG SER A 417 -5.792 7.794 -6.408 1.00 0.00 O ATOM 0 H SER A 417 -2.206 7.618 -6.877 1.00 0.00 H new ATOM 0 HA SER A 417 -4.245 9.734 -6.508 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.102 6.836 -5.727 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.847 7.938 -4.586 1.00 0.00 H new ATOM 0 HG SER A 417 -6.378 7.073 -6.097 1.00 0.00 H new ATOM 214 N CYS A 418 -1.843 8.683 -4.504 1.00 0.00 N ATOM 215 CA CYS A 418 -1.000 9.069 -3.380 1.00 0.00 C ATOM 216 C CYS A 418 0.460 9.181 -3.808 1.00 0.00 C ATOM 217 O CYS A 418 1.142 10.151 -3.480 1.00 0.00 O ATOM 218 CB CYS A 418 -1.134 8.054 -2.243 1.00 0.00 C ATOM 219 SG CYS A 418 -0.839 6.329 -2.748 1.00 0.00 S ATOM 0 H CYS A 418 -1.585 7.798 -4.940 1.00 0.00 H new ATOM 0 HA CYS A 418 -1.332 10.045 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -0.431 8.315 -1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -2.135 8.131 -1.818 1.00 0.00 H new ATOM 224 N GLY A 419 0.934 8.180 -4.543 1.00 0.00 N ATOM 225 CA GLY A 419 2.310 8.184 -5.004 1.00 0.00 C ATOM 226 C GLY A 419 2.978 6.833 -4.848 1.00 0.00 C ATOM 227 O GLY A 419 4.094 6.625 -5.325 1.00 0.00 O ATOM 0 H GLY A 419 0.389 7.366 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 419 2.338 8.480 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 419 2.874 8.931 -4.446 1.00 0.00 H new ATOM 231 N LYS A 420 2.296 5.911 -4.177 1.00 0.00 N ATOM 232 CA LYS A 420 2.830 4.572 -3.958 1.00 0.00 C ATOM 233 C LYS A 420 3.409 4.000 -5.247 1.00 0.00 C ATOM 234 O LYS A 420 3.242 4.573 -6.323 1.00 0.00 O ATOM 235 CB LYS A 420 1.736 3.646 -3.423 1.00 0.00 C ATOM 236 CG LYS A 420 1.643 3.627 -1.907 1.00 0.00 C ATOM 237 CD LYS A 420 1.059 2.318 -1.400 1.00 0.00 C ATOM 238 CE LYS A 420 0.822 2.358 0.101 1.00 0.00 C ATOM 239 NZ LYS A 420 0.863 0.997 0.706 1.00 0.00 N ATOM 0 H LYS A 420 1.372 6.067 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 420 3.630 4.643 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.775 3.957 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 420 1.922 2.633 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.635 3.774 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 420 1.024 4.458 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 420 0.119 2.115 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.736 1.499 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 420 1.578 2.987 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -0.146 2.816 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 0.697 1.067 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 0.125 0.403 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 1.795 0.569 0.535 1.00 0.00 H new ATOM 253 N GLY A 421 4.091 2.864 -5.132 1.00 0.00 N ATOM 254 CA GLY A 421 4.683 2.232 -6.297 1.00 0.00 C ATOM 255 C GLY A 421 4.561 0.722 -6.262 1.00 0.00 C ATOM 256 O GLY A 421 4.646 0.109 -5.198 1.00 0.00 O ATOM 0 H GLY A 421 4.244 2.370 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 421 4.200 2.612 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 421 5.736 2.507 -6.360 1.00 0.00 H new ATOM 260 N PHE A 422 4.358 0.119 -7.429 1.00 0.00 N ATOM 261 CA PHE A 422 4.221 -1.329 -7.528 1.00 0.00 C ATOM 262 C PHE A 422 4.982 -1.866 -8.737 1.00 0.00 C ATOM 263 O PHE A 422 5.455 -1.100 -9.577 1.00 0.00 O ATOM 264 CB PHE A 422 2.744 -1.717 -7.627 1.00 0.00 C ATOM 265 CG PHE A 422 1.937 -1.316 -6.426 1.00 0.00 C ATOM 266 CD1 PHE A 422 1.673 0.019 -6.167 1.00 0.00 C ATOM 267 CD2 PHE A 422 1.442 -2.274 -5.556 1.00 0.00 C ATOM 268 CE1 PHE A 422 0.931 0.391 -5.061 1.00 0.00 C ATOM 269 CE2 PHE A 422 0.699 -1.908 -4.449 1.00 0.00 C ATOM 270 CZ PHE A 422 0.443 -0.574 -4.202 1.00 0.00 C ATOM 0 H PHE A 422 4.285 0.611 -8.319 1.00 0.00 H new ATOM 0 HA PHE A 422 4.646 -1.772 -6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 422 2.314 -1.254 -8.515 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.668 -2.796 -7.762 1.00 0.00 H new ATOM 0 HD1 PHE A 422 2.051 0.778 -6.836 1.00 0.00 H new ATOM 0 HD2 PHE A 422 1.639 -3.319 -5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 422 0.733 1.435 -4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 422 0.319 -2.665 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 422 -0.138 -0.286 -3.338 1.00 0.00 H new ATOM 280 N SER A 423 5.095 -3.188 -8.818 1.00 0.00 N ATOM 281 CA SER A 423 5.802 -3.828 -9.921 1.00 0.00 C ATOM 282 C SER A 423 4.820 -4.351 -10.965 1.00 0.00 C ATOM 283 O SER A 423 5.107 -4.344 -12.162 1.00 0.00 O ATOM 284 CB SER A 423 6.670 -4.976 -9.401 1.00 0.00 C ATOM 285 OG SER A 423 7.799 -4.485 -8.700 1.00 0.00 O ATOM 0 H SER A 423 4.706 -3.836 -8.133 1.00 0.00 H new ATOM 0 HA SER A 423 6.442 -3.082 -10.391 1.00 0.00 H new ATOM 0 HB2 SER A 423 6.079 -5.614 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 423 6.998 -5.595 -10.236 1.00 0.00 H new ATOM 0 HG SER A 423 8.336 -5.238 -8.377 1.00 0.00 H new ATOM 291 N ARG A 424 3.659 -4.804 -10.502 1.00 0.00 N ATOM 292 CA ARG A 424 2.634 -5.332 -11.394 1.00 0.00 C ATOM 293 C ARG A 424 1.459 -4.365 -11.504 1.00 0.00 C ATOM 294 O ARG A 424 1.201 -3.559 -10.610 1.00 0.00 O ATOM 295 CB ARG A 424 2.145 -6.693 -10.895 1.00 0.00 C ATOM 296 CG ARG A 424 3.189 -7.792 -11.002 1.00 0.00 C ATOM 297 CD ARG A 424 2.561 -9.171 -10.879 1.00 0.00 C ATOM 298 NE ARG A 424 3.544 -10.238 -11.047 1.00 0.00 N ATOM 299 CZ ARG A 424 4.024 -10.615 -12.227 1.00 0.00 C ATOM 300 NH1 ARG A 424 3.614 -10.016 -13.336 1.00 0.00 N ATOM 301 NH2 ARG A 424 4.917 -11.594 -12.298 1.00 0.00 N ATOM 0 H ARG A 424 3.405 -4.816 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 424 3.076 -5.453 -12.383 1.00 0.00 H new ATOM 0 HB2 ARG A 424 1.834 -6.599 -9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 424 1.263 -6.984 -11.466 1.00 0.00 H new ATOM 0 HG2 ARG A 424 3.707 -7.711 -11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 424 3.938 -7.661 -10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 424 2.086 -9.267 -9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 424 1.776 -9.280 -11.628 1.00 0.00 H new ATOM 0 HE ARG A 424 3.880 -10.720 -10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 424 2.928 -9.263 -13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 424 3.985 -10.308 -14.240 1.00 0.00 H new ATOM 0 HH21 ARG A 424 5.235 -12.057 -11.447 1.00 0.00 H new ATOM 0 HH22 ARG A 424 5.285 -11.883 -13.204 1.00 0.00 H new ATOM 315 N PRO A 425 0.728 -4.447 -12.625 1.00 0.00 N ATOM 316 CA PRO A 425 -0.432 -3.587 -12.879 1.00 0.00 C ATOM 317 C PRO A 425 -1.610 -3.921 -11.970 1.00 0.00 C ATOM 318 O PRO A 425 -2.235 -3.030 -11.395 1.00 0.00 O ATOM 319 CB PRO A 425 -0.781 -3.884 -14.339 1.00 0.00 C ATOM 320 CG PRO A 425 -0.256 -5.256 -14.583 1.00 0.00 C ATOM 321 CD PRO A 425 0.978 -5.384 -13.733 1.00 0.00 C ATOM 0 HA PRO A 425 -0.212 -2.537 -12.685 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -1.857 -3.836 -14.506 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -0.322 -3.159 -15.011 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -0.995 -6.010 -14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -0.021 -5.402 -15.637 1.00 0.00 H new ATOM 0 HD2 PRO A 425 1.114 -6.404 -13.374 1.00 0.00 H new ATOM 0 HD3 PRO A 425 1.878 -5.119 -14.288 1.00 0.00 H new ATOM 329 N ASP A 426 -1.909 -5.209 -11.846 1.00 0.00 N ATOM 330 CA ASP A 426 -3.012 -5.661 -11.006 1.00 0.00 C ATOM 331 C ASP A 426 -2.735 -5.359 -9.537 1.00 0.00 C ATOM 332 O ASP A 426 -3.646 -5.025 -8.779 1.00 0.00 O ATOM 333 CB ASP A 426 -3.245 -7.161 -11.197 1.00 0.00 C ATOM 334 CG ASP A 426 -1.968 -7.967 -11.059 1.00 0.00 C ATOM 335 OD1 ASP A 426 -1.078 -7.819 -11.922 1.00 0.00 O ATOM 336 OD2 ASP A 426 -1.860 -8.746 -10.089 1.00 0.00 O ATOM 0 H ASP A 426 -1.403 -5.959 -12.317 1.00 0.00 H new ATOM 0 HA ASP A 426 -3.910 -5.121 -11.306 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.972 -7.509 -10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -3.677 -7.336 -12.182 1.00 0.00 H new ATOM 341 N HIS A 427 -1.472 -5.480 -9.141 1.00 0.00 N ATOM 342 CA HIS A 427 -1.075 -5.220 -7.762 1.00 0.00 C ATOM 343 C HIS A 427 -1.431 -3.794 -7.353 1.00 0.00 C ATOM 344 O HIS A 427 -2.072 -3.573 -6.324 1.00 0.00 O ATOM 345 CB HIS A 427 0.426 -5.453 -7.588 1.00 0.00 C ATOM 346 CG HIS A 427 0.809 -6.900 -7.560 1.00 0.00 C ATOM 347 ND1 HIS A 427 2.109 -7.338 -7.693 1.00 0.00 N ATOM 348 CD2 HIS A 427 0.052 -8.013 -7.410 1.00 0.00 C ATOM 349 CE1 HIS A 427 2.137 -8.657 -7.629 1.00 0.00 C ATOM 350 NE2 HIS A 427 0.901 -9.092 -7.457 1.00 0.00 N ATOM 0 H HIS A 427 -0.706 -5.756 -9.755 1.00 0.00 H new ATOM 0 HA HIS A 427 -1.619 -5.910 -7.118 1.00 0.00 H new ATOM 0 HB2 HIS A 427 0.958 -4.961 -8.402 1.00 0.00 H new ATOM 0 HB3 HIS A 427 0.753 -4.981 -6.662 1.00 0.00 H new ATOM 0 HD2 HIS A 427 -1.019 -8.046 -7.278 1.00 0.00 H new ATOM 0 HE1 HIS A 427 3.020 -9.275 -7.704 1.00 0.00 H new ATOM 0 HE2 HIS A 427 0.623 -10.070 -7.373 1.00 0.00 H new ATOM 358 N LEU A 428 -1.012 -2.829 -8.164 1.00 0.00 N ATOM 359 CA LEU A 428 -1.286 -1.424 -7.887 1.00 0.00 C ATOM 360 C LEU A 428 -2.787 -1.152 -7.883 1.00 0.00 C ATOM 361 O LEU A 428 -3.301 -0.461 -7.004 1.00 0.00 O ATOM 362 CB LEU A 428 -0.598 -0.535 -8.925 1.00 0.00 C ATOM 363 CG LEU A 428 -1.187 0.864 -9.107 1.00 0.00 C ATOM 364 CD1 LEU A 428 -1.085 1.658 -7.813 1.00 0.00 C ATOM 365 CD2 LEU A 428 -0.484 1.596 -10.241 1.00 0.00 C ATOM 0 H LEU A 428 -0.481 -2.994 -9.019 1.00 0.00 H new ATOM 0 HA LEU A 428 -0.890 -1.191 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.451 -0.432 -8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.625 -1.047 -9.887 1.00 0.00 H new ATOM 0 HG LEU A 428 -2.241 0.763 -9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.509 2.651 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -1.635 1.142 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 428 -0.038 1.750 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 428 -0.917 2.590 -10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 428 0.578 1.687 -10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 428 -0.609 1.037 -11.168 1.00 0.00 H new ATOM 377 N ASN A 429 -3.485 -1.702 -8.871 1.00 0.00 N ATOM 378 CA ASN A 429 -4.928 -1.521 -8.981 1.00 0.00 C ATOM 379 C ASN A 429 -5.620 -1.849 -7.661 1.00 0.00 C ATOM 380 O ASN A 429 -6.380 -1.041 -7.129 1.00 0.00 O ATOM 381 CB ASN A 429 -5.491 -2.403 -10.097 1.00 0.00 C ATOM 382 CG ASN A 429 -4.794 -2.172 -11.424 1.00 0.00 C ATOM 383 OD1 ASN A 429 -4.522 -3.114 -12.167 1.00 0.00 O ATOM 384 ND2 ASN A 429 -4.501 -0.912 -11.726 1.00 0.00 N ATOM 0 H ASN A 429 -3.075 -2.277 -9.607 1.00 0.00 H new ATOM 0 HA ASN A 429 -5.120 -0.475 -9.222 1.00 0.00 H new ATOM 0 HB2 ASN A 429 -5.390 -3.451 -9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 429 -6.557 -2.205 -10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 429 -4.031 -0.694 -12.605 1.00 0.00 H new ATOM 0 HD22 ASN A 429 -4.746 -0.162 -11.079 1.00 0.00 H new ATOM 391 N GLY A 430 -5.349 -3.040 -7.137 1.00 0.00 N ATOM 392 CA GLY A 430 -5.952 -3.454 -5.884 1.00 0.00 C ATOM 393 C GLY A 430 -5.834 -2.395 -4.806 1.00 0.00 C ATOM 394 O GLY A 430 -6.777 -2.162 -4.049 1.00 0.00 O ATOM 0 H GLY A 430 -4.722 -3.726 -7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -7.005 -3.684 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -5.475 -4.372 -5.541 1.00 0.00 H new ATOM 398 N HIS A 431 -4.674 -1.751 -4.735 1.00 0.00 N ATOM 399 CA HIS A 431 -4.436 -0.711 -3.740 1.00 0.00 C ATOM 400 C HIS A 431 -5.360 0.482 -3.970 1.00 0.00 C ATOM 401 O HIS A 431 -5.890 1.061 -3.022 1.00 0.00 O ATOM 402 CB HIS A 431 -2.977 -0.256 -3.785 1.00 0.00 C ATOM 403 CG HIS A 431 -2.774 1.155 -3.325 1.00 0.00 C ATOM 404 ND1 HIS A 431 -2.641 1.501 -1.997 1.00 0.00 N ATOM 405 CD2 HIS A 431 -2.681 2.309 -4.025 1.00 0.00 C ATOM 406 CE1 HIS A 431 -2.476 2.809 -1.900 1.00 0.00 C ATOM 407 NE2 HIS A 431 -2.496 3.322 -3.117 1.00 0.00 N ATOM 0 H HIS A 431 -3.884 -1.931 -5.354 1.00 0.00 H new ATOM 0 HA HIS A 431 -4.648 -1.129 -2.756 1.00 0.00 H new ATOM 0 HB2 HIS A 431 -2.378 -0.922 -3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 431 -2.606 -0.354 -4.805 1.00 0.00 H new ATOM 0 HD1 HIS A 431 -2.666 0.850 -1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 431 -2.741 2.414 -5.098 1.00 0.00 H new ATOM 0 HE1 HIS A 431 -2.347 3.364 -0.982 1.00 0.00 H new ATOM 415 N ILE A 432 -5.547 0.843 -5.235 1.00 0.00 N ATOM 416 CA ILE A 432 -6.407 1.966 -5.589 1.00 0.00 C ATOM 417 C ILE A 432 -7.879 1.607 -5.416 1.00 0.00 C ATOM 418 O ILE A 432 -8.740 2.485 -5.358 1.00 0.00 O ATOM 419 CB ILE A 432 -6.168 2.422 -7.041 1.00 0.00 C ATOM 420 CG1 ILE A 432 -4.669 2.504 -7.333 1.00 0.00 C ATOM 421 CG2 ILE A 432 -6.837 3.766 -7.290 1.00 0.00 C ATOM 422 CD1 ILE A 432 -4.351 2.996 -8.727 1.00 0.00 C ATOM 0 H ILE A 432 -5.115 0.375 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 432 -6.153 2.783 -4.914 1.00 0.00 H new ATOM 0 HB ILE A 432 -6.610 1.688 -7.715 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -4.201 3.169 -6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -4.226 1.518 -7.195 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -6.660 4.075 -8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -7.910 3.676 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -6.422 4.511 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 432 -3.270 3.029 -8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -4.789 2.319 -9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -4.764 3.995 -8.863 1.00 0.00 H new ATOM 434 N LYS A 433 -8.160 0.312 -5.332 1.00 0.00 N ATOM 435 CA LYS A 433 -9.528 -0.165 -5.162 1.00 0.00 C ATOM 436 C LYS A 433 -9.745 -0.701 -3.751 1.00 0.00 C ATOM 437 O LYS A 433 -10.846 -1.129 -3.403 1.00 0.00 O ATOM 438 CB LYS A 433 -9.840 -1.257 -6.188 1.00 0.00 C ATOM 439 CG LYS A 433 -11.066 -2.084 -5.841 1.00 0.00 C ATOM 440 CD LYS A 433 -11.543 -2.899 -7.032 1.00 0.00 C ATOM 441 CE LYS A 433 -12.866 -3.591 -6.739 1.00 0.00 C ATOM 442 NZ LYS A 433 -13.190 -4.624 -7.762 1.00 0.00 N ATOM 0 H LYS A 433 -7.459 -0.427 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 433 -10.203 0.676 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -9.988 -0.795 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -8.978 -1.919 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -10.833 -2.752 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -11.867 -1.426 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -11.656 -2.247 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.790 -3.644 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -12.822 -4.056 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -13.664 -2.850 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -14.098 -5.072 -7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -13.257 -4.176 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.441 -5.346 -7.776 1.00 0.00 H new ATOM 456 N GLN A 434 -8.690 -0.674 -2.943 1.00 0.00 N ATOM 457 CA GLN A 434 -8.768 -1.157 -1.569 1.00 0.00 C ATOM 458 C GLN A 434 -8.480 -0.033 -0.580 1.00 0.00 C ATOM 459 O GLN A 434 -8.930 -0.069 0.565 1.00 0.00 O ATOM 460 CB GLN A 434 -7.782 -2.307 -1.354 1.00 0.00 C ATOM 461 CG GLN A 434 -7.767 -2.837 0.071 1.00 0.00 C ATOM 462 CD GLN A 434 -9.135 -3.295 0.538 1.00 0.00 C ATOM 463 OE1 GLN A 434 -9.717 -4.222 -0.026 1.00 0.00 O ATOM 464 NE2 GLN A 434 -9.655 -2.646 1.573 1.00 0.00 N ATOM 0 H GLN A 434 -7.772 -0.323 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 434 -9.781 -1.519 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -8.033 -3.122 -2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -6.780 -1.969 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -7.067 -3.670 0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -7.401 -2.059 0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -9.137 -1.884 2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -10.573 -2.910 1.932 1.00 0.00 H new ATOM 473 N VAL A 435 -7.725 0.965 -1.029 1.00 0.00 N ATOM 474 CA VAL A 435 -7.377 2.101 -0.184 1.00 0.00 C ATOM 475 C VAL A 435 -7.968 3.395 -0.732 1.00 0.00 C ATOM 476 O VAL A 435 -8.435 4.246 0.026 1.00 0.00 O ATOM 477 CB VAL A 435 -5.850 2.260 -0.058 1.00 0.00 C ATOM 478 CG1 VAL A 435 -5.507 3.312 0.985 1.00 0.00 C ATOM 479 CG2 VAL A 435 -5.203 0.926 0.286 1.00 0.00 C ATOM 0 H VAL A 435 -7.343 1.010 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 435 -7.797 1.902 0.802 1.00 0.00 H new ATOM 0 HB VAL A 435 -5.456 2.593 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -4.424 3.410 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -5.939 4.269 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -5.912 3.012 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -4.124 1.056 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -5.601 0.562 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.420 0.203 -0.500 1.00 0.00 H new ATOM 489 N HIS A 436 -7.945 3.537 -2.053 1.00 0.00 N ATOM 490 CA HIS A 436 -8.479 4.728 -2.703 1.00 0.00 C ATOM 491 C HIS A 436 -9.920 4.502 -3.152 1.00 0.00 C ATOM 492 O HIS A 436 -10.463 5.272 -3.945 1.00 0.00 O ATOM 493 CB HIS A 436 -7.614 5.112 -3.904 1.00 0.00 C ATOM 494 CG HIS A 436 -6.250 5.602 -3.526 1.00 0.00 C ATOM 495 ND1 HIS A 436 -6.041 6.660 -2.667 1.00 0.00 N ATOM 496 CD2 HIS A 436 -5.021 5.171 -3.895 1.00 0.00 C ATOM 497 CE1 HIS A 436 -4.743 6.860 -2.525 1.00 0.00 C ATOM 498 NE2 HIS A 436 -4.102 5.969 -3.260 1.00 0.00 N ATOM 0 H HIS A 436 -7.562 2.842 -2.694 1.00 0.00 H new ATOM 0 HA HIS A 436 -8.465 5.543 -1.979 1.00 0.00 H new ATOM 0 HB2 HIS A 436 -7.512 4.247 -4.559 1.00 0.00 H new ATOM 0 HB3 HIS A 436 -8.124 5.887 -4.476 1.00 0.00 H new ATOM 0 HD1 HIS A 436 -6.774 7.204 -2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 436 -4.804 4.352 -4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 436 -4.284 7.622 -1.912 1.00 0.00 H new ATOM 506 N THR A 437 -10.534 3.440 -2.640 1.00 0.00 N ATOM 507 CA THR A 437 -11.911 3.111 -2.989 1.00 0.00 C ATOM 508 C THR A 437 -12.894 3.780 -2.035 1.00 0.00 C ATOM 509 O THR A 437 -13.123 3.298 -0.926 1.00 0.00 O ATOM 510 CB THR A 437 -12.147 1.589 -2.968 1.00 0.00 C ATOM 511 OG1 THR A 437 -13.551 1.311 -2.995 1.00 0.00 O ATOM 512 CG2 THR A 437 -11.524 0.961 -1.730 1.00 0.00 C ATOM 0 H THR A 437 -10.100 2.793 -1.982 1.00 0.00 H new ATOM 0 HA THR A 437 -12.079 3.483 -4.000 1.00 0.00 H new ATOM 0 HB THR A 437 -11.674 1.158 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 437 -13.693 0.341 -2.983 1.00 0.00 H new ATOM 0 HG21 THR A 437 -11.704 -0.114 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 437 -10.450 1.149 -1.728 1.00 0.00 H new ATOM 0 HG23 THR A 437 -11.971 1.397 -0.837 1.00 0.00 H new ATOM 520 N SER A 438 -13.475 4.892 -2.474 1.00 0.00 N ATOM 521 CA SER A 438 -14.432 5.628 -1.658 1.00 0.00 C ATOM 522 C SER A 438 -15.672 5.993 -2.470 1.00 0.00 C ATOM 523 O SER A 438 -15.800 5.609 -3.632 1.00 0.00 O ATOM 524 CB SER A 438 -13.787 6.896 -1.095 1.00 0.00 C ATOM 525 OG SER A 438 -12.709 6.578 -0.231 1.00 0.00 O ATOM 0 H SER A 438 -13.299 5.303 -3.391 1.00 0.00 H new ATOM 0 HA SER A 438 -14.736 4.985 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 438 -13.429 7.520 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 438 -14.533 7.478 -0.553 1.00 0.00 H new ATOM 0 HG SER A 438 -12.312 7.405 0.115 1.00 0.00 H new ATOM 531 N GLU A 439 -16.581 6.737 -1.848 1.00 0.00 N ATOM 532 CA GLU A 439 -17.811 7.153 -2.513 1.00 0.00 C ATOM 533 C GLU A 439 -17.572 8.389 -3.374 1.00 0.00 C ATOM 534 O GLU A 439 -16.732 9.230 -3.053 1.00 0.00 O ATOM 535 CB GLU A 439 -18.903 7.440 -1.480 1.00 0.00 C ATOM 536 CG GLU A 439 -20.312 7.245 -2.014 1.00 0.00 C ATOM 537 CD GLU A 439 -20.776 5.804 -1.920 1.00 0.00 C ATOM 538 OE1 GLU A 439 -21.246 5.403 -0.835 1.00 0.00 O ATOM 539 OE2 GLU A 439 -20.670 5.079 -2.931 1.00 0.00 O ATOM 0 H GLU A 439 -16.490 7.064 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 439 -18.138 6.339 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -18.757 6.789 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -18.796 8.465 -1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -20.999 7.881 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -20.351 7.568 -3.054 1.00 0.00 H new ATOM 546 N ARG A 440 -18.316 8.492 -4.471 1.00 0.00 N ATOM 547 CA ARG A 440 -18.184 9.624 -5.380 1.00 0.00 C ATOM 548 C ARG A 440 -19.513 10.360 -5.528 1.00 0.00 C ATOM 549 O ARG A 440 -20.590 9.776 -5.411 1.00 0.00 O ATOM 550 CB ARG A 440 -17.696 9.150 -6.751 1.00 0.00 C ATOM 551 CG ARG A 440 -16.183 9.061 -6.861 1.00 0.00 C ATOM 552 CD ARG A 440 -15.760 8.067 -7.932 1.00 0.00 C ATOM 553 NE ARG A 440 -14.354 7.693 -7.806 1.00 0.00 N ATOM 554 CZ ARG A 440 -13.352 8.441 -8.253 1.00 0.00 C ATOM 555 NH1 ARG A 440 -13.600 9.599 -8.851 1.00 0.00 N ATOM 556 NH2 ARG A 440 -12.099 8.033 -8.101 1.00 0.00 N ATOM 0 H ARG A 440 -19.016 7.805 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 440 -17.452 10.313 -4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -18.125 8.171 -6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -18.068 9.832 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -15.776 10.045 -7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -15.764 8.762 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -16.380 7.174 -7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -15.933 8.500 -8.917 1.00 0.00 H new ATOM 0 HE ARG A 440 -14.129 6.809 -7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -14.562 9.917 -8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -12.829 10.172 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -11.904 7.144 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -11.330 8.608 -8.445 1.00 0.00 H new ATOM 570 N PRO A 441 -19.436 11.673 -5.790 1.00 0.00 N ATOM 571 CA PRO A 441 -20.622 12.517 -5.959 1.00 0.00 C ATOM 572 C PRO A 441 -21.377 12.205 -7.246 1.00 0.00 C ATOM 573 O PRO A 441 -20.952 11.365 -8.039 1.00 0.00 O ATOM 574 CB PRO A 441 -20.045 13.934 -6.007 1.00 0.00 C ATOM 575 CG PRO A 441 -18.647 13.757 -6.488 1.00 0.00 C ATOM 576 CD PRO A 441 -18.185 12.435 -5.942 1.00 0.00 C ATOM 0 HA PRO A 441 -21.348 12.365 -5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 441 -20.618 14.572 -6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 441 -20.069 14.405 -5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 441 -18.605 13.765 -7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 441 -18.008 14.568 -6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 441 -17.493 11.939 -6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 441 -17.668 12.552 -4.990 1.00 0.00 H new ATOM 584 N HIS A 442 -22.500 12.887 -7.448 1.00 0.00 N ATOM 585 CA HIS A 442 -23.314 12.683 -8.641 1.00 0.00 C ATOM 586 C HIS A 442 -22.465 12.791 -9.904 1.00 0.00 C ATOM 587 O HIS A 442 -22.103 13.888 -10.330 1.00 0.00 O ATOM 588 CB HIS A 442 -24.452 13.704 -8.689 1.00 0.00 C ATOM 589 CG HIS A 442 -24.009 15.107 -8.412 1.00 0.00 C ATOM 590 ND1 HIS A 442 -24.055 15.677 -7.158 1.00 0.00 N ATOM 591 CD2 HIS A 442 -23.508 16.056 -9.237 1.00 0.00 C ATOM 592 CE1 HIS A 442 -23.603 16.917 -7.223 1.00 0.00 C ATOM 593 NE2 HIS A 442 -23.264 17.172 -8.474 1.00 0.00 N ATOM 0 H HIS A 442 -22.867 13.585 -6.801 1.00 0.00 H new ATOM 0 HA HIS A 442 -23.737 11.680 -8.594 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -24.921 13.667 -9.672 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -25.213 13.422 -7.962 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -23.333 15.955 -10.298 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -23.524 17.605 -6.394 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -22.883 18.054 -8.817 1.00 0.00 H new ATOM 601 N LYS A 443 -22.148 11.645 -10.498 1.00 0.00 N ATOM 602 CA LYS A 443 -21.342 11.610 -11.712 1.00 0.00 C ATOM 603 C LYS A 443 -21.396 10.231 -12.361 1.00 0.00 C ATOM 604 O LYS A 443 -20.875 9.257 -11.816 1.00 0.00 O ATOM 605 CB LYS A 443 -19.891 11.980 -11.396 1.00 0.00 C ATOM 606 CG LYS A 443 -19.087 12.387 -12.619 1.00 0.00 C ATOM 607 CD LYS A 443 -19.153 13.886 -12.857 1.00 0.00 C ATOM 608 CE LYS A 443 -20.336 14.258 -13.739 1.00 0.00 C ATOM 609 NZ LYS A 443 -21.554 14.558 -12.936 1.00 0.00 N ATOM 0 H LYS A 443 -22.437 10.728 -10.158 1.00 0.00 H new ATOM 0 HA LYS A 443 -21.752 12.338 -12.412 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -19.882 12.799 -10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -19.404 11.130 -10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -18.048 12.084 -12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -19.466 11.862 -13.496 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -19.233 14.404 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -18.228 14.222 -13.326 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -20.078 15.126 -14.345 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -20.547 13.440 -14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -22.352 13.995 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -21.380 14.320 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -21.782 15.570 -13.015 1.00 0.00 H new ATOM 623 N CYS A 444 -22.027 10.155 -13.527 1.00 0.00 N ATOM 624 CA CYS A 444 -22.148 8.894 -14.251 1.00 0.00 C ATOM 625 C CYS A 444 -20.902 8.036 -14.059 1.00 0.00 C ATOM 626 O CYS A 444 -19.782 8.496 -14.274 1.00 0.00 O ATOM 627 CB CYS A 444 -22.377 9.157 -15.740 1.00 0.00 C ATOM 628 SG CYS A 444 -21.044 10.079 -16.541 1.00 0.00 S ATOM 0 H CYS A 444 -22.463 10.951 -13.992 1.00 0.00 H new ATOM 0 HA CYS A 444 -23.005 8.353 -13.849 1.00 0.00 H new ATOM 0 HB2 CYS A 444 -22.502 8.203 -16.251 1.00 0.00 H new ATOM 0 HB3 CYS A 444 -23.309 9.708 -15.861 1.00 0.00 H new ATOM 0 HG CYS A 444 -19.919 9.824 -15.941 1.00 0.00 H new ATOM 634 N GLN A 445 -21.108 6.787 -13.652 1.00 0.00 N ATOM 635 CA GLN A 445 -20.000 5.865 -13.429 1.00 0.00 C ATOM 636 C GLN A 445 -19.984 4.768 -14.488 1.00 0.00 C ATOM 637 O GLN A 445 -19.737 3.601 -14.184 1.00 0.00 O ATOM 638 CB GLN A 445 -20.099 5.244 -12.035 1.00 0.00 C ATOM 639 CG GLN A 445 -19.640 6.171 -10.922 1.00 0.00 C ATOM 640 CD GLN A 445 -20.246 5.816 -9.579 1.00 0.00 C ATOM 641 OE1 GLN A 445 -21.147 6.500 -9.091 1.00 0.00 O ATOM 642 NE2 GLN A 445 -19.755 4.741 -8.973 1.00 0.00 N ATOM 0 H GLN A 445 -22.030 6.391 -13.470 1.00 0.00 H new ATOM 0 HA GLN A 445 -19.070 6.429 -13.502 1.00 0.00 H new ATOM 0 HB2 GLN A 445 -21.132 4.951 -11.849 1.00 0.00 H new ATOM 0 HB3 GLN A 445 -19.500 4.334 -12.009 1.00 0.00 H new ATOM 0 HG2 GLN A 445 -18.553 6.132 -10.847 1.00 0.00 H new ATOM 0 HG3 GLN A 445 -19.906 7.197 -11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 445 -19.008 4.203 -9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 445 -20.124 4.453 -8.067 1.00 0.00 H new ATOM 651 N VAL A 446 -20.249 5.150 -15.734 1.00 0.00 N ATOM 652 CA VAL A 446 -20.264 4.198 -16.838 1.00 0.00 C ATOM 653 C VAL A 446 -19.066 4.405 -17.758 1.00 0.00 C ATOM 654 O VAL A 446 -18.190 5.223 -17.478 1.00 0.00 O ATOM 655 CB VAL A 446 -21.558 4.318 -17.664 1.00 0.00 C ATOM 656 CG1 VAL A 446 -22.768 4.430 -16.749 1.00 0.00 C ATOM 657 CG2 VAL A 446 -21.480 5.509 -18.607 1.00 0.00 C ATOM 0 H VAL A 446 -20.456 6.112 -16.003 1.00 0.00 H new ATOM 0 HA VAL A 446 -20.213 3.202 -16.398 1.00 0.00 H new ATOM 0 HB VAL A 446 -21.669 3.415 -18.265 1.00 0.00 H new ATOM 0 HG11 VAL A 446 -23.673 4.514 -17.351 1.00 0.00 H new ATOM 0 HG12 VAL A 446 -22.832 3.542 -16.120 1.00 0.00 H new ATOM 0 HG13 VAL A 446 -22.668 5.314 -16.120 1.00 0.00 H new ATOM 0 HG21 VAL A 446 -22.403 5.578 -19.183 1.00 0.00 H new ATOM 0 HG22 VAL A 446 -21.344 6.423 -18.029 1.00 0.00 H new ATOM 0 HG23 VAL A 446 -20.637 5.381 -19.286 1.00 0.00 H new ATOM 667 N TRP A 447 -19.035 3.658 -18.856 1.00 0.00 N ATOM 668 CA TRP A 447 -17.943 3.760 -19.818 1.00 0.00 C ATOM 669 C TRP A 447 -18.481 3.878 -21.240 1.00 0.00 C ATOM 670 O TRP A 447 -17.963 4.649 -22.048 1.00 0.00 O ATOM 671 CB TRP A 447 -17.023 2.543 -19.707 1.00 0.00 C ATOM 672 CG TRP A 447 -17.428 1.409 -20.599 1.00 0.00 C ATOM 673 CD1 TRP A 447 -18.523 0.605 -20.457 1.00 0.00 C ATOM 674 CD2 TRP A 447 -16.741 0.950 -21.768 1.00 0.00 C ATOM 675 NE1 TRP A 447 -18.558 -0.325 -21.468 1.00 0.00 N ATOM 676 CE2 TRP A 447 -17.476 -0.134 -22.286 1.00 0.00 C ATOM 677 CE3 TRP A 447 -15.577 1.351 -22.430 1.00 0.00 C ATOM 678 CZ2 TRP A 447 -17.084 -0.820 -23.432 1.00 0.00 C ATOM 679 CZ3 TRP A 447 -15.188 0.669 -23.567 1.00 0.00 C ATOM 680 CH2 TRP A 447 -15.940 -0.406 -24.059 1.00 0.00 C ATOM 0 H TRP A 447 -19.752 2.976 -19.102 1.00 0.00 H new ATOM 0 HA TRP A 447 -17.372 4.660 -19.589 1.00 0.00 H new ATOM 0 HB2 TRP A 447 -16.004 2.843 -19.953 1.00 0.00 H new ATOM 0 HB3 TRP A 447 -17.013 2.197 -18.673 1.00 0.00 H new ATOM 0 HD1 TRP A 447 -19.254 0.688 -19.666 1.00 0.00 H new ATOM 0 HE1 TRP A 447 -19.274 -1.041 -21.590 1.00 0.00 H new ATOM 0 HE3 TRP A 447 -14.992 2.180 -22.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 447 -17.662 -1.649 -23.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 447 -14.289 0.970 -24.085 1.00 0.00 H new ATOM 0 HH2 TRP A 447 -15.610 -0.918 -24.951 1.00 0.00 H new ATOM 691 N VAL A 448 -19.523 3.109 -21.540 1.00 0.00 N ATOM 692 CA VAL A 448 -20.131 3.129 -22.865 1.00 0.00 C ATOM 693 C VAL A 448 -21.442 3.907 -22.856 1.00 0.00 C ATOM 694 O VAL A 448 -21.724 4.679 -23.773 1.00 0.00 O ATOM 695 CB VAL A 448 -20.397 1.703 -23.382 1.00 0.00 C ATOM 696 CG1 VAL A 448 -21.237 0.921 -22.383 1.00 0.00 C ATOM 697 CG2 VAL A 448 -21.077 1.747 -24.742 1.00 0.00 C ATOM 0 H VAL A 448 -19.964 2.465 -20.883 1.00 0.00 H new ATOM 0 HA VAL A 448 -19.423 3.623 -23.531 1.00 0.00 H new ATOM 0 HB VAL A 448 -19.441 1.193 -23.496 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -21.415 -0.084 -22.765 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -20.708 0.859 -21.432 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -22.191 1.427 -22.235 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -21.257 0.730 -25.092 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -22.027 2.275 -24.657 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -20.435 2.267 -25.453 1.00 0.00 H new ATOM 707 N SER A 449 -22.240 3.700 -21.814 1.00 0.00 N ATOM 708 CA SER A 449 -23.524 4.380 -21.686 1.00 0.00 C ATOM 709 C SER A 449 -24.144 4.118 -20.317 1.00 0.00 C ATOM 710 O SER A 449 -23.642 3.306 -19.541 1.00 0.00 O ATOM 711 CB SER A 449 -24.480 3.920 -22.788 1.00 0.00 C ATOM 712 OG SER A 449 -24.747 2.532 -22.685 1.00 0.00 O ATOM 0 H SER A 449 -22.020 3.066 -21.045 1.00 0.00 H new ATOM 0 HA SER A 449 -23.352 5.451 -21.788 1.00 0.00 H new ATOM 0 HB2 SER A 449 -25.413 4.479 -22.721 1.00 0.00 H new ATOM 0 HB3 SER A 449 -24.047 4.139 -23.764 1.00 0.00 H new ATOM 0 HG SER A 449 -25.362 2.263 -23.399 1.00 0.00 H new ATOM 718 N GLY A 450 -25.239 4.814 -20.028 1.00 0.00 N ATOM 719 CA GLY A 450 -25.911 4.644 -18.752 1.00 0.00 C ATOM 720 C GLY A 450 -26.286 3.200 -18.483 1.00 0.00 C ATOM 721 O GLY A 450 -25.494 2.419 -17.953 1.00 0.00 O ATOM 0 H GLY A 450 -25.673 5.492 -20.654 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -25.263 5.003 -17.953 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -26.810 5.259 -18.734 1.00 0.00 H new ATOM 725 N PRO A 451 -27.521 2.827 -18.850 1.00 0.00 N ATOM 726 CA PRO A 451 -28.027 1.466 -18.653 1.00 0.00 C ATOM 727 C PRO A 451 -27.344 0.455 -19.568 1.00 0.00 C ATOM 728 O PRO A 451 -26.477 0.812 -20.366 1.00 0.00 O ATOM 729 CB PRO A 451 -29.512 1.586 -19.004 1.00 0.00 C ATOM 730 CG PRO A 451 -29.590 2.750 -19.931 1.00 0.00 C ATOM 731 CD PRO A 451 -28.517 3.705 -19.486 1.00 0.00 C ATOM 0 HA PRO A 451 -27.841 1.105 -17.642 1.00 0.00 H new ATOM 0 HB2 PRO A 451 -29.881 0.677 -19.478 1.00 0.00 H new ATOM 0 HB3 PRO A 451 -30.118 1.749 -18.112 1.00 0.00 H new ATOM 0 HG2 PRO A 451 -29.432 2.438 -20.963 1.00 0.00 H new ATOM 0 HG3 PRO A 451 -30.573 3.219 -19.887 1.00 0.00 H new ATOM 0 HD2 PRO A 451 -28.092 4.252 -20.328 1.00 0.00 H new ATOM 0 HD3 PRO A 451 -28.904 4.446 -18.787 1.00 0.00 H new ATOM 739 N SER A 452 -27.740 -0.808 -19.446 1.00 0.00 N ATOM 740 CA SER A 452 -27.162 -1.872 -20.260 1.00 0.00 C ATOM 741 C SER A 452 -27.808 -1.910 -21.642 1.00 0.00 C ATOM 742 O SER A 452 -28.695 -1.113 -21.947 1.00 0.00 O ATOM 743 CB SER A 452 -27.335 -3.224 -19.567 1.00 0.00 C ATOM 744 OG SER A 452 -26.473 -4.199 -20.128 1.00 0.00 O ATOM 0 H SER A 452 -28.458 -1.120 -18.792 1.00 0.00 H new ATOM 0 HA SER A 452 -26.098 -1.667 -20.380 1.00 0.00 H new ATOM 0 HB2 SER A 452 -27.127 -3.120 -18.502 1.00 0.00 H new ATOM 0 HB3 SER A 452 -28.370 -3.553 -19.659 1.00 0.00 H new ATOM 0 HG SER A 452 -26.980 -4.770 -20.742 1.00 0.00 H new ATOM 750 N SER A 453 -27.355 -2.842 -22.474 1.00 0.00 N ATOM 751 CA SER A 453 -27.885 -2.983 -23.825 1.00 0.00 C ATOM 752 C SER A 453 -28.601 -4.320 -23.991 1.00 0.00 C ATOM 753 O SER A 453 -29.729 -4.377 -24.478 1.00 0.00 O ATOM 754 CB SER A 453 -26.758 -2.864 -24.853 1.00 0.00 C ATOM 755 OG SER A 453 -25.997 -1.687 -24.641 1.00 0.00 O ATOM 0 H SER A 453 -26.622 -3.511 -22.236 1.00 0.00 H new ATOM 0 HA SER A 453 -28.605 -2.182 -23.992 1.00 0.00 H new ATOM 0 HB2 SER A 453 -26.109 -3.737 -24.788 1.00 0.00 H new ATOM 0 HB3 SER A 453 -27.178 -2.853 -25.859 1.00 0.00 H new ATOM 0 HG SER A 453 -25.282 -1.635 -25.309 1.00 0.00 H new ATOM 761 N GLY A 454 -27.935 -5.396 -23.583 1.00 0.00 N ATOM 762 CA GLY A 454 -28.521 -6.719 -23.695 1.00 0.00 C ATOM 763 C GLY A 454 -29.322 -7.103 -22.467 1.00 0.00 C ATOM 764 O GLY A 454 -29.901 -8.188 -22.409 1.00 0.00 O ATOM 0 H GLY A 454 -27.000 -5.375 -23.177 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -29.167 -6.754 -24.572 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -27.729 -7.452 -23.853 1.00 0.00 H new TER 768 GLY A 454 HETATM 769 ZN ZN A 201 -2.430 5.199 -3.754 1.00 0.00 ZN