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 Set 1.1: A 411 LYS NZ :NH3+ -145:sc= 0.747 (180deg=-0.0204) USER MOD Set 1.2: A 423 SER OG : rot 180:sc= 0.654 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 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 GLN : amide:sc= 0 X(o=0,f=-0.028) 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 427 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-3.2!) USER MOD Single : A 429 ASN : amide:sc= -4.16 K(o=-4.2,f=-7.6!) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 434 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.05) 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= -0.339 X(o=-0.34,f=-0.028) 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= -4.5! C(o=-4.5!,f=-13!) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 401 4.549 13.773 15.760 1.00 0.00 N ATOM 2 CA GLY A 401 3.752 14.888 15.283 1.00 0.00 C ATOM 3 C GLY A 401 4.178 15.359 13.907 1.00 0.00 C ATOM 4 O GLY A 401 3.379 15.366 12.970 1.00 0.00 O ATOM 0 HA2 GLY A 401 2.703 14.594 15.254 1.00 0.00 H new ATOM 0 HA3 GLY A 401 3.832 15.716 15.988 1.00 0.00 H new ATOM 8 N SER A 402 5.441 15.757 13.784 1.00 0.00 N ATOM 9 CA SER A 402 5.970 16.237 12.513 1.00 0.00 C ATOM 10 C SER A 402 6.698 15.121 11.771 1.00 0.00 C ATOM 11 O SER A 402 7.449 14.350 12.368 1.00 0.00 O ATOM 12 CB SER A 402 6.920 17.414 12.745 1.00 0.00 C ATOM 13 OG SER A 402 7.062 18.194 11.569 1.00 0.00 O ATOM 0 H SER A 402 6.116 15.756 14.549 1.00 0.00 H new ATOM 0 HA SER A 402 5.132 16.570 11.901 1.00 0.00 H new ATOM 0 HB2 SER A 402 6.541 18.037 13.555 1.00 0.00 H new ATOM 0 HB3 SER A 402 7.895 17.042 13.059 1.00 0.00 H new ATOM 0 HG SER A 402 7.672 18.941 11.743 1.00 0.00 H new ATOM 19 N SER A 403 6.470 15.040 10.464 1.00 0.00 N ATOM 20 CA SER A 403 7.100 14.016 9.639 1.00 0.00 C ATOM 21 C SER A 403 7.868 14.647 8.482 1.00 0.00 C ATOM 22 O SER A 403 7.748 15.844 8.222 1.00 0.00 O ATOM 23 CB SER A 403 6.047 13.047 9.099 1.00 0.00 C ATOM 24 OG SER A 403 6.627 11.798 8.764 1.00 0.00 O ATOM 0 H SER A 403 5.853 15.672 9.953 1.00 0.00 H new ATOM 0 HA SER A 403 7.805 13.465 10.262 1.00 0.00 H new ATOM 0 HB2 SER A 403 5.266 12.900 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 403 5.570 13.478 8.219 1.00 0.00 H new ATOM 0 HG SER A 403 5.933 11.196 8.423 1.00 0.00 H new ATOM 30 N GLY A 404 8.657 13.832 7.789 1.00 0.00 N ATOM 31 CA GLY A 404 9.433 14.327 6.667 1.00 0.00 C ATOM 32 C GLY A 404 8.999 13.719 5.348 1.00 0.00 C ATOM 33 O GLY A 404 7.850 13.304 5.196 1.00 0.00 O ATOM 0 H GLY A 404 8.773 12.838 7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 404 9.336 15.411 6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 404 10.488 14.109 6.834 1.00 0.00 H new ATOM 37 N SER A 405 9.919 13.667 4.390 1.00 0.00 N ATOM 38 CA SER A 405 9.624 13.111 3.075 1.00 0.00 C ATOM 39 C SER A 405 10.488 11.885 2.798 1.00 0.00 C ATOM 40 O SER A 405 11.696 11.897 3.034 1.00 0.00 O ATOM 41 CB SER A 405 9.850 14.165 1.990 1.00 0.00 C ATOM 42 OG SER A 405 8.871 15.188 2.060 1.00 0.00 O ATOM 0 H SER A 405 10.876 14.003 4.500 1.00 0.00 H new ATOM 0 HA SER A 405 8.577 12.806 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 405 10.843 14.600 2.102 1.00 0.00 H new ATOM 0 HB3 SER A 405 9.818 13.693 1.008 1.00 0.00 H new ATOM 0 HG SER A 405 9.039 15.850 1.357 1.00 0.00 H new ATOM 48 N SER A 406 9.859 10.827 2.294 1.00 0.00 N ATOM 49 CA SER A 406 10.569 9.591 1.987 1.00 0.00 C ATOM 50 C SER A 406 10.061 8.983 0.683 1.00 0.00 C ATOM 51 O SER A 406 8.929 9.229 0.270 1.00 0.00 O ATOM 52 CB SER A 406 10.405 8.587 3.130 1.00 0.00 C ATOM 53 OG SER A 406 11.133 8.994 4.275 1.00 0.00 O ATOM 0 H SER A 406 8.860 10.802 2.090 1.00 0.00 H new ATOM 0 HA SER A 406 11.627 9.827 1.870 1.00 0.00 H new ATOM 0 HB2 SER A 406 9.349 8.488 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 406 10.749 7.604 2.807 1.00 0.00 H new ATOM 0 HG SER A 406 11.010 8.337 4.991 1.00 0.00 H new ATOM 59 N GLY A 407 10.909 8.185 0.040 1.00 0.00 N ATOM 60 CA GLY A 407 10.529 7.554 -1.210 1.00 0.00 C ATOM 61 C GLY A 407 11.685 6.825 -1.866 1.00 0.00 C ATOM 62 O GLY A 407 12.817 7.310 -1.861 1.00 0.00 O ATOM 0 H GLY A 407 11.851 7.965 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 407 9.717 6.850 -1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 407 10.146 8.311 -1.894 1.00 0.00 H new ATOM 66 N SER A 408 11.402 5.656 -2.431 1.00 0.00 N ATOM 67 CA SER A 408 12.428 4.856 -3.089 1.00 0.00 C ATOM 68 C SER A 408 12.099 4.658 -4.565 1.00 0.00 C ATOM 69 O SER A 408 10.984 4.275 -4.919 1.00 0.00 O ATOM 70 CB SER A 408 12.566 3.497 -2.399 1.00 0.00 C ATOM 71 OG SER A 408 13.185 3.629 -1.131 1.00 0.00 O ATOM 0 H SER A 408 10.470 5.242 -2.446 1.00 0.00 H new ATOM 0 HA SER A 408 13.374 5.391 -3.014 1.00 0.00 H new ATOM 0 HB2 SER A 408 11.582 3.044 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 408 13.153 2.826 -3.026 1.00 0.00 H new ATOM 0 HG SER A 408 13.260 2.747 -0.710 1.00 0.00 H new ATOM 77 N VAL A 409 13.079 4.923 -5.424 1.00 0.00 N ATOM 78 CA VAL A 409 12.896 4.774 -6.863 1.00 0.00 C ATOM 79 C VAL A 409 13.079 3.323 -7.293 1.00 0.00 C ATOM 80 O VAL A 409 13.865 2.584 -6.701 1.00 0.00 O ATOM 81 CB VAL A 409 13.881 5.660 -7.649 1.00 0.00 C ATOM 82 CG1 VAL A 409 15.315 5.230 -7.381 1.00 0.00 C ATOM 83 CG2 VAL A 409 13.569 5.611 -9.137 1.00 0.00 C ATOM 0 H VAL A 409 14.008 5.242 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 409 11.877 5.090 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 409 13.767 6.690 -7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 409 15.997 5.867 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 409 15.529 5.321 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 409 15.448 4.193 -7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 409 14.274 6.242 -9.678 1.00 0.00 H new ATOM 0 HG22 VAL A 409 13.654 4.584 -9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 409 12.555 5.971 -9.308 1.00 0.00 H new ATOM 93 N GLY A 410 12.348 2.921 -8.328 1.00 0.00 N ATOM 94 CA GLY A 410 12.445 1.559 -8.821 1.00 0.00 C ATOM 95 C GLY A 410 11.205 1.127 -9.577 1.00 0.00 C ATOM 96 O GLY A 410 11.222 1.018 -10.803 1.00 0.00 O ATOM 0 H GLY A 410 11.690 3.514 -8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 410 13.313 1.473 -9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 410 12.609 0.883 -7.982 1.00 0.00 H new ATOM 100 N LYS A 411 10.124 0.878 -8.845 1.00 0.00 N ATOM 101 CA LYS A 411 8.868 0.454 -9.454 1.00 0.00 C ATOM 102 C LYS A 411 8.270 1.572 -10.302 1.00 0.00 C ATOM 103 O LYS A 411 8.038 2.685 -9.830 1.00 0.00 O ATOM 104 CB LYS A 411 7.872 0.030 -8.372 1.00 0.00 C ATOM 105 CG LYS A 411 8.102 -1.377 -7.850 1.00 0.00 C ATOM 106 CD LYS A 411 9.311 -1.441 -6.932 1.00 0.00 C ATOM 107 CE LYS A 411 9.645 -2.874 -6.548 1.00 0.00 C ATOM 108 NZ LYS A 411 8.565 -3.496 -5.733 1.00 0.00 N ATOM 0 H LYS A 411 10.092 0.962 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 411 9.075 -0.397 -10.102 1.00 0.00 H new ATOM 0 HB2 LYS A 411 7.932 0.731 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 411 6.861 0.098 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.217 -1.715 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.245 -2.058 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.169 -0.987 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 411 9.117 -0.858 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.804 -3.464 -7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.579 -2.891 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.986 -4.138 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 8.027 -2.752 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 7.927 -4.033 -6.354 1.00 0.00 H new ATOM 122 N PRO A 412 8.012 1.270 -11.583 1.00 0.00 N ATOM 123 CA PRO A 412 7.436 2.236 -12.523 1.00 0.00 C ATOM 124 C PRO A 412 5.980 2.557 -12.203 1.00 0.00 C ATOM 125 O PRO A 412 5.590 3.724 -12.144 1.00 0.00 O ATOM 126 CB PRO A 412 7.542 1.524 -13.873 1.00 0.00 C ATOM 127 CG PRO A 412 7.558 0.073 -13.536 1.00 0.00 C ATOM 128 CD PRO A 412 8.264 -0.037 -12.213 1.00 0.00 C ATOM 0 HA PRO A 412 7.953 3.195 -12.490 1.00 0.00 H new ATOM 0 HB2 PRO A 412 6.699 1.771 -14.518 1.00 0.00 H new ATOM 0 HB3 PRO A 412 8.447 1.817 -14.405 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.545 -0.324 -13.472 1.00 0.00 H new ATOM 0 HG3 PRO A 412 8.077 -0.500 -14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.867 -0.856 -11.613 1.00 0.00 H new ATOM 0 HD3 PRO A 412 9.330 -0.223 -12.341 1.00 0.00 H new ATOM 136 N TYR A 413 5.181 1.516 -11.998 1.00 0.00 N ATOM 137 CA TYR A 413 3.767 1.688 -11.686 1.00 0.00 C ATOM 138 C TYR A 413 3.586 2.468 -10.388 1.00 0.00 C ATOM 139 O TYR A 413 3.536 1.887 -9.303 1.00 0.00 O ATOM 140 CB TYR A 413 3.078 0.327 -11.577 1.00 0.00 C ATOM 141 CG TYR A 413 3.034 -0.436 -12.881 1.00 0.00 C ATOM 142 CD1 TYR A 413 3.694 0.037 -14.008 1.00 0.00 C ATOM 143 CD2 TYR A 413 2.332 -1.631 -12.986 1.00 0.00 C ATOM 144 CE1 TYR A 413 3.656 -0.657 -15.202 1.00 0.00 C ATOM 145 CE2 TYR A 413 2.290 -2.333 -14.176 1.00 0.00 C ATOM 146 CZ TYR A 413 2.953 -1.841 -15.281 1.00 0.00 C ATOM 147 OH TYR A 413 2.914 -2.536 -16.468 1.00 0.00 O ATOM 0 H TYR A 413 5.488 0.544 -12.042 1.00 0.00 H new ATOM 0 HA TYR A 413 3.309 2.256 -12.496 1.00 0.00 H new ATOM 0 HB2 TYR A 413 3.597 -0.275 -10.831 1.00 0.00 H new ATOM 0 HB3 TYR A 413 2.060 0.473 -11.217 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.246 0.963 -13.950 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.810 -2.018 -12.123 1.00 0.00 H new ATOM 0 HE1 TYR A 413 4.174 -0.274 -16.069 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.741 -3.261 -14.240 1.00 0.00 H new ATOM 0 HH TYR A 413 2.378 -3.348 -16.354 1.00 0.00 H new ATOM 157 N ILE A 414 3.488 3.788 -10.507 1.00 0.00 N ATOM 158 CA ILE A 414 3.311 4.649 -9.344 1.00 0.00 C ATOM 159 C ILE A 414 1.867 5.122 -9.225 1.00 0.00 C ATOM 160 O ILE A 414 1.280 5.611 -10.191 1.00 0.00 O ATOM 161 CB ILE A 414 4.239 5.876 -9.405 1.00 0.00 C ATOM 162 CG1 ILE A 414 5.703 5.436 -9.434 1.00 0.00 C ATOM 163 CG2 ILE A 414 3.980 6.796 -8.221 1.00 0.00 C ATOM 164 CD1 ILE A 414 6.035 4.374 -8.409 1.00 0.00 C ATOM 0 H ILE A 414 3.528 4.284 -11.397 1.00 0.00 H new ATOM 0 HA ILE A 414 3.568 4.053 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 414 4.027 6.427 -10.321 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.940 5.057 -10.428 1.00 0.00 H new ATOM 0 HG13 ILE A 414 6.339 6.305 -9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.644 7.659 -8.278 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.944 7.133 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 414 4.167 6.256 -7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 414 7.090 4.110 -8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.830 4.756 -7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.425 3.489 -8.591 1.00 0.00 H new ATOM 176 N CYS A 415 1.298 4.976 -8.033 1.00 0.00 N ATOM 177 CA CYS A 415 -0.078 5.390 -7.785 1.00 0.00 C ATOM 178 C CYS A 415 -0.265 6.871 -8.099 1.00 0.00 C ATOM 179 O CYS A 415 0.469 7.720 -7.595 1.00 0.00 O ATOM 180 CB CYS A 415 -0.462 5.113 -6.331 1.00 0.00 C ATOM 181 SG CYS A 415 -2.251 5.211 -6.002 1.00 0.00 S ATOM 0 H CYS A 415 1.769 4.574 -7.223 1.00 0.00 H new ATOM 0 HA CYS A 415 -0.729 4.812 -8.441 1.00 0.00 H new ATOM 0 HB2 CYS A 415 -0.107 4.120 -6.056 1.00 0.00 H new ATOM 0 HB3 CYS A 415 0.054 5.826 -5.688 1.00 0.00 H new ATOM 186 N GLN A 416 -1.253 7.173 -8.936 1.00 0.00 N ATOM 187 CA GLN A 416 -1.537 8.551 -9.317 1.00 0.00 C ATOM 188 C GLN A 416 -2.480 9.210 -8.316 1.00 0.00 C ATOM 189 O GLN A 416 -3.140 10.201 -8.630 1.00 0.00 O ATOM 190 CB GLN A 416 -2.147 8.600 -10.719 1.00 0.00 C ATOM 191 CG GLN A 416 -1.209 8.105 -11.808 1.00 0.00 C ATOM 192 CD GLN A 416 -0.168 9.137 -12.195 1.00 0.00 C ATOM 193 OE1 GLN A 416 -0.502 10.248 -12.607 1.00 0.00 O ATOM 194 NE2 GLN A 416 1.103 8.775 -12.064 1.00 0.00 N ATOM 0 H GLN A 416 -1.870 6.482 -9.363 1.00 0.00 H new ATOM 0 HA GLN A 416 -0.596 9.102 -9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 416 -3.055 7.998 -10.732 1.00 0.00 H new ATOM 0 HB3 GLN A 416 -2.441 9.625 -10.943 1.00 0.00 H new ATOM 0 HG2 GLN A 416 -0.708 7.199 -11.466 1.00 0.00 H new ATOM 0 HG3 GLN A 416 -1.792 7.834 -12.689 1.00 0.00 H new ATOM 0 HE21 GLN A 416 1.335 7.844 -11.719 1.00 0.00 H new ATOM 0 HE22 GLN A 416 1.847 9.428 -12.309 1.00 0.00 H new ATOM 203 N SER A 417 -2.540 8.652 -7.111 1.00 0.00 N ATOM 204 CA SER A 417 -3.407 9.183 -6.065 1.00 0.00 C ATOM 205 C SER A 417 -2.586 9.661 -4.871 1.00 0.00 C ATOM 206 O SER A 417 -2.735 10.795 -4.415 1.00 0.00 O ATOM 207 CB SER A 417 -4.410 8.119 -5.616 1.00 0.00 C ATOM 208 OG SER A 417 -5.601 8.185 -6.383 1.00 0.00 O ATOM 0 H SER A 417 -1.999 7.833 -6.835 1.00 0.00 H new ATOM 0 HA SER A 417 -3.951 10.034 -6.474 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.964 7.129 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.645 8.258 -4.561 1.00 0.00 H new ATOM 0 HG SER A 417 -6.225 7.494 -6.078 1.00 0.00 H new ATOM 214 N CYS A 418 -1.721 8.787 -4.369 1.00 0.00 N ATOM 215 CA CYS A 418 -0.876 9.117 -3.227 1.00 0.00 C ATOM 216 C CYS A 418 0.586 9.235 -3.648 1.00 0.00 C ATOM 217 O CYS A 418 1.280 10.175 -3.263 1.00 0.00 O ATOM 218 CB CYS A 418 -1.020 8.055 -2.136 1.00 0.00 C ATOM 219 SG CYS A 418 -0.582 6.371 -2.675 1.00 0.00 S ATOM 0 H CYS A 418 -1.586 7.844 -4.735 1.00 0.00 H new ATOM 0 HA CYS A 418 -1.201 10.080 -2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -0.389 8.330 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -2.050 8.054 -1.778 1.00 0.00 H new ATOM 224 N GLY A 419 1.047 8.273 -4.442 1.00 0.00 N ATOM 225 CA GLY A 419 2.423 8.287 -4.903 1.00 0.00 C ATOM 226 C GLY A 419 3.132 6.971 -4.651 1.00 0.00 C ATOM 227 O GLY A 419 4.353 6.881 -4.781 1.00 0.00 O ATOM 0 H GLY A 419 0.492 7.484 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 419 2.443 8.509 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 419 2.963 9.089 -4.400 1.00 0.00 H new ATOM 231 N LYS A 420 2.366 5.948 -4.288 1.00 0.00 N ATOM 232 CA LYS A 420 2.928 4.630 -4.017 1.00 0.00 C ATOM 233 C LYS A 420 3.540 4.029 -5.278 1.00 0.00 C ATOM 234 O LYS A 420 3.516 4.642 -6.344 1.00 0.00 O ATOM 235 CB LYS A 420 1.847 3.697 -3.467 1.00 0.00 C ATOM 236 CG LYS A 420 1.738 3.718 -1.952 1.00 0.00 C ATOM 237 CD LYS A 420 1.053 2.468 -1.425 1.00 0.00 C ATOM 238 CE LYS A 420 0.813 2.554 0.075 1.00 0.00 C ATOM 239 NZ LYS A 420 0.777 1.208 0.709 1.00 0.00 N ATOM 0 H LYS A 420 1.354 6.006 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 420 3.715 4.744 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.885 3.977 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 420 2.057 2.679 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.734 3.800 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 420 1.179 4.600 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 420 0.102 2.329 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.666 1.595 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 420 1.600 3.151 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -0.129 3.069 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 0.611 1.310 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 0.009 0.646 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 1.685 0.726 0.552 1.00 0.00 H new ATOM 253 N GLY A 421 4.087 2.824 -5.148 1.00 0.00 N ATOM 254 CA GLY A 421 4.697 2.160 -6.286 1.00 0.00 C ATOM 255 C GLY A 421 4.521 0.655 -6.241 1.00 0.00 C ATOM 256 O GLY A 421 4.572 0.048 -5.172 1.00 0.00 O ATOM 0 H GLY A 421 4.119 2.296 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 421 4.259 2.547 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 421 5.760 2.398 -6.315 1.00 0.00 H new ATOM 260 N PHE A 422 4.311 0.051 -7.406 1.00 0.00 N ATOM 261 CA PHE A 422 4.124 -1.392 -7.496 1.00 0.00 C ATOM 262 C PHE A 422 4.883 -1.966 -8.690 1.00 0.00 C ATOM 263 O PHE A 422 5.269 -1.236 -9.602 1.00 0.00 O ATOM 264 CB PHE A 422 2.636 -1.729 -7.613 1.00 0.00 C ATOM 265 CG PHE A 422 1.828 -1.296 -6.423 1.00 0.00 C ATOM 266 CD1 PHE A 422 1.640 0.049 -6.149 1.00 0.00 C ATOM 267 CD2 PHE A 422 1.257 -2.235 -5.579 1.00 0.00 C ATOM 268 CE1 PHE A 422 0.897 0.449 -5.054 1.00 0.00 C ATOM 269 CE2 PHE A 422 0.513 -1.840 -4.483 1.00 0.00 C ATOM 270 CZ PHE A 422 0.332 -0.497 -4.221 1.00 0.00 C ATOM 0 H PHE A 422 4.266 0.539 -8.301 1.00 0.00 H new ATOM 0 HA PHE A 422 4.521 -1.842 -6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 422 2.233 -1.254 -8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.525 -2.805 -7.746 1.00 0.00 H new ATOM 0 HD1 PHE A 422 2.079 0.793 -6.798 1.00 0.00 H new ATOM 0 HD2 PHE A 422 1.395 -3.287 -5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 422 0.758 1.500 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 422 0.074 -2.582 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 422 -0.250 -0.186 -3.366 1.00 0.00 H new ATOM 280 N SER A 423 5.092 -3.278 -8.675 1.00 0.00 N ATOM 281 CA SER A 423 5.808 -3.950 -9.753 1.00 0.00 C ATOM 282 C SER A 423 4.834 -4.505 -10.788 1.00 0.00 C ATOM 283 O SER A 423 5.155 -4.593 -11.974 1.00 0.00 O ATOM 284 CB SER A 423 6.672 -5.081 -9.192 1.00 0.00 C ATOM 285 OG SER A 423 7.497 -4.618 -8.137 1.00 0.00 O ATOM 0 H SER A 423 4.776 -3.897 -7.928 1.00 0.00 H new ATOM 0 HA SER A 423 6.452 -3.218 -10.241 1.00 0.00 H new ATOM 0 HB2 SER A 423 6.032 -5.886 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 423 7.292 -5.498 -9.986 1.00 0.00 H new ATOM 0 HG SER A 423 8.038 -5.360 -7.795 1.00 0.00 H new ATOM 291 N ARG A 424 3.643 -4.877 -10.332 1.00 0.00 N ATOM 292 CA ARG A 424 2.622 -5.424 -11.217 1.00 0.00 C ATOM 293 C ARG A 424 1.454 -4.452 -11.366 1.00 0.00 C ATOM 294 O ARG A 424 1.189 -3.623 -10.495 1.00 0.00 O ATOM 295 CB ARG A 424 2.118 -6.765 -10.682 1.00 0.00 C ATOM 296 CG ARG A 424 3.170 -7.862 -10.701 1.00 0.00 C ATOM 297 CD ARG A 424 2.534 -9.243 -10.726 1.00 0.00 C ATOM 298 NE ARG A 424 1.822 -9.495 -11.976 1.00 0.00 N ATOM 299 CZ ARG A 424 2.428 -9.661 -13.146 1.00 0.00 C ATOM 300 NH1 ARG A 424 3.750 -9.602 -13.227 1.00 0.00 N ATOM 301 NH2 ARG A 424 1.711 -9.886 -14.240 1.00 0.00 N ATOM 0 H ARG A 424 3.361 -4.810 -9.354 1.00 0.00 H new ATOM 0 HA ARG A 424 3.072 -5.578 -12.198 1.00 0.00 H new ATOM 0 HB2 ARG A 424 1.765 -6.629 -9.660 1.00 0.00 H new ATOM 0 HB3 ARG A 424 1.261 -7.084 -11.275 1.00 0.00 H new ATOM 0 HG2 ARG A 424 3.810 -7.739 -11.575 1.00 0.00 H new ATOM 0 HG3 ARG A 424 3.809 -7.770 -9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 424 3.306 -10.000 -10.590 1.00 0.00 H new ATOM 0 HD3 ARG A 424 1.842 -9.339 -9.889 1.00 0.00 H new ATOM 0 HE ARG A 424 0.804 -9.546 -11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 424 4.305 -9.429 -12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 424 4.212 -9.730 -14.127 1.00 0.00 H new ATOM 0 HH21 ARG A 424 0.694 -9.932 -14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 424 2.177 -10.013 -15.138 1.00 0.00 H new ATOM 315 N PRO A 425 0.738 -4.556 -12.495 1.00 0.00 N ATOM 316 CA PRO A 425 -0.412 -3.695 -12.785 1.00 0.00 C ATOM 317 C PRO A 425 -1.605 -4.000 -11.886 1.00 0.00 C ATOM 318 O PRO A 425 -2.237 -3.091 -11.346 1.00 0.00 O ATOM 319 CB PRO A 425 -0.744 -4.025 -14.243 1.00 0.00 C ATOM 320 CG PRO A 425 -0.224 -5.406 -14.446 1.00 0.00 C ATOM 321 CD PRO A 425 0.997 -5.521 -13.577 1.00 0.00 C ATOM 0 HA PRO A 425 -0.187 -2.643 -12.612 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -1.817 -3.975 -14.426 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -0.271 -3.319 -14.926 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -0.972 -6.149 -14.169 1.00 0.00 H new ATOM 0 HG3 PRO A 425 0.025 -5.579 -15.493 1.00 0.00 H new ATOM 0 HD2 PRO A 425 1.122 -6.533 -13.192 1.00 0.00 H new ATOM 0 HD3 PRO A 425 1.906 -5.275 -14.126 1.00 0.00 H new ATOM 329 N ASP A 426 -1.908 -5.283 -11.728 1.00 0.00 N ATOM 330 CA ASP A 426 -3.025 -5.708 -10.892 1.00 0.00 C ATOM 331 C ASP A 426 -2.771 -5.361 -9.428 1.00 0.00 C ATOM 332 O ASP A 426 -3.679 -4.932 -8.715 1.00 0.00 O ATOM 333 CB ASP A 426 -3.257 -7.213 -11.039 1.00 0.00 C ATOM 334 CG ASP A 426 -1.960 -7.995 -11.102 1.00 0.00 C ATOM 335 OD1 ASP A 426 -1.286 -8.111 -10.057 1.00 0.00 O ATOM 336 OD2 ASP A 426 -1.619 -8.492 -12.195 1.00 0.00 O ATOM 0 H ASP A 426 -1.396 -6.048 -12.168 1.00 0.00 H new ATOM 0 HA ASP A 426 -3.917 -5.177 -11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.852 -7.570 -10.199 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -3.836 -7.402 -11.943 1.00 0.00 H new ATOM 341 N HIS A 427 -1.532 -5.550 -8.987 1.00 0.00 N ATOM 342 CA HIS A 427 -1.158 -5.257 -7.607 1.00 0.00 C ATOM 343 C HIS A 427 -1.513 -3.819 -7.242 1.00 0.00 C ATOM 344 O HIS A 427 -2.162 -3.567 -6.226 1.00 0.00 O ATOM 345 CB HIS A 427 0.338 -5.495 -7.401 1.00 0.00 C ATOM 346 CG HIS A 427 0.710 -6.943 -7.327 1.00 0.00 C ATOM 347 ND1 HIS A 427 1.999 -7.399 -7.502 1.00 0.00 N ATOM 348 CD2 HIS A 427 -0.047 -8.041 -7.093 1.00 0.00 C ATOM 349 CE1 HIS A 427 2.020 -8.715 -7.381 1.00 0.00 C ATOM 350 NE2 HIS A 427 0.790 -9.129 -7.132 1.00 0.00 N ATOM 0 H HIS A 427 -0.770 -5.905 -9.564 1.00 0.00 H new ATOM 0 HA HIS A 427 -1.717 -5.927 -6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 427 0.888 -5.029 -8.219 1.00 0.00 H new ATOM 0 HB3 HIS A 427 0.653 -5.000 -6.482 1.00 0.00 H new ATOM 0 HD2 HIS A 427 -1.111 -8.058 -6.910 1.00 0.00 H new ATOM 0 HE1 HIS A 427 2.893 -9.344 -7.470 1.00 0.00 H new ATOM 0 HE2 HIS A 427 0.508 -10.099 -6.992 1.00 0.00 H new ATOM 358 N LEU A 428 -1.083 -2.879 -8.076 1.00 0.00 N ATOM 359 CA LEU A 428 -1.354 -1.465 -7.841 1.00 0.00 C ATOM 360 C LEU A 428 -2.854 -1.188 -7.860 1.00 0.00 C ATOM 361 O LEU A 428 -3.375 -0.481 -6.999 1.00 0.00 O ATOM 362 CB LEU A 428 -0.652 -0.609 -8.897 1.00 0.00 C ATOM 363 CG LEU A 428 -1.240 0.783 -9.131 1.00 0.00 C ATOM 364 CD1 LEU A 428 -1.168 1.614 -7.859 1.00 0.00 C ATOM 365 CD2 LEU A 428 -0.514 1.484 -10.270 1.00 0.00 C ATOM 0 H LEU A 428 -0.545 -3.070 -8.921 1.00 0.00 H new ATOM 0 HA LEU A 428 -0.968 -1.205 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.393 -0.496 -8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.665 -1.151 -9.843 1.00 0.00 H new ATOM 0 HG LEU A 428 -2.288 0.672 -9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.591 2.601 -8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -1.734 1.120 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 428 -0.128 1.717 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 428 -0.946 2.473 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 428 0.543 1.584 -10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 428 -0.618 0.898 -11.183 1.00 0.00 H new ATOM 377 N ASN A 429 -3.542 -1.752 -8.847 1.00 0.00 N ATOM 378 CA ASN A 429 -4.983 -1.567 -8.977 1.00 0.00 C ATOM 379 C ASN A 429 -5.690 -1.858 -7.657 1.00 0.00 C ATOM 380 O ASN A 429 -6.420 -1.017 -7.133 1.00 0.00 O ATOM 381 CB ASN A 429 -5.538 -2.474 -10.077 1.00 0.00 C ATOM 382 CG ASN A 429 -4.814 -2.292 -11.397 1.00 0.00 C ATOM 383 OD1 ASN A 429 -4.537 -3.260 -12.105 1.00 0.00 O ATOM 384 ND2 ASN A 429 -4.504 -1.045 -11.734 1.00 0.00 N ATOM 0 H ASN A 429 -3.125 -2.341 -9.568 1.00 0.00 H new ATOM 0 HA ASN A 429 -5.168 -0.527 -9.246 1.00 0.00 H new ATOM 0 HB2 ASN A 429 -5.457 -3.514 -9.762 1.00 0.00 H new ATOM 0 HB3 ASN A 429 -6.599 -2.265 -10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 429 -4.017 -0.860 -12.611 1.00 0.00 H new ATOM 0 HD22 ASN A 429 -4.753 -0.273 -11.116 1.00 0.00 H new ATOM 391 N GLY A 430 -5.467 -3.056 -7.124 1.00 0.00 N ATOM 392 CA GLY A 430 -6.089 -3.437 -5.869 1.00 0.00 C ATOM 393 C GLY A 430 -5.939 -2.372 -4.801 1.00 0.00 C ATOM 394 O GLY A 430 -6.858 -2.136 -4.016 1.00 0.00 O ATOM 0 H GLY A 430 -4.867 -3.769 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -7.148 -3.632 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -5.645 -4.367 -5.515 1.00 0.00 H new ATOM 398 N HIS A 431 -4.777 -1.728 -4.768 1.00 0.00 N ATOM 399 CA HIS A 431 -4.509 -0.683 -3.786 1.00 0.00 C ATOM 400 C HIS A 431 -5.389 0.537 -4.038 1.00 0.00 C ATOM 401 O HIS A 431 -5.903 1.147 -3.100 1.00 0.00 O ATOM 402 CB HIS A 431 -3.034 -0.281 -3.828 1.00 0.00 C ATOM 403 CG HIS A 431 -2.784 1.126 -3.380 1.00 0.00 C ATOM 404 ND1 HIS A 431 -2.706 1.490 -2.052 1.00 0.00 N ATOM 405 CD2 HIS A 431 -2.594 2.261 -4.092 1.00 0.00 C ATOM 406 CE1 HIS A 431 -2.479 2.789 -1.966 1.00 0.00 C ATOM 407 NE2 HIS A 431 -2.406 3.280 -3.190 1.00 0.00 N ATOM 0 H HIS A 431 -4.006 -1.911 -5.410 1.00 0.00 H new ATOM 0 HA HIS A 431 -4.742 -1.079 -2.797 1.00 0.00 H new ATOM 0 HB2 HIS A 431 -2.462 -0.962 -3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 431 -2.662 -0.401 -4.845 1.00 0.00 H new ATOM 0 HD1 HIS A 431 -2.808 0.856 -1.260 1.00 0.00 H new ATOM 0 HD2 HIS A 431 -2.591 2.349 -5.168 1.00 0.00 H new ATOM 0 HE1 HIS A 431 -2.372 3.353 -1.051 1.00 0.00 H new ATOM 415 N ILE A 432 -5.556 0.888 -5.309 1.00 0.00 N ATOM 416 CA ILE A 432 -6.374 2.035 -5.683 1.00 0.00 C ATOM 417 C ILE A 432 -7.859 1.724 -5.532 1.00 0.00 C ATOM 418 O ILE A 432 -8.688 2.629 -5.428 1.00 0.00 O ATOM 419 CB ILE A 432 -6.098 2.475 -7.133 1.00 0.00 C ATOM 420 CG1 ILE A 432 -4.591 2.544 -7.389 1.00 0.00 C ATOM 421 CG2 ILE A 432 -6.751 3.820 -7.412 1.00 0.00 C ATOM 422 CD1 ILE A 432 -4.237 2.952 -8.802 1.00 0.00 C ATOM 0 H ILE A 432 -5.136 0.395 -6.097 1.00 0.00 H new ATOM 0 HA ILE A 432 -6.105 2.847 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 432 -6.529 1.737 -7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -4.144 3.253 -6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -4.150 1.570 -7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -6.547 4.117 -8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -7.828 3.739 -7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -6.347 4.569 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 432 -3.153 2.980 -8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -4.654 2.230 -9.504 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -4.648 3.940 -9.009 1.00 0.00 H new ATOM 434 N LYS A 433 -8.190 0.437 -5.519 1.00 0.00 N ATOM 435 CA LYS A 433 -9.575 0.004 -5.378 1.00 0.00 C ATOM 436 C LYS A 433 -9.825 -0.576 -3.990 1.00 0.00 C ATOM 437 O LYS A 433 -10.941 -0.984 -3.670 1.00 0.00 O ATOM 438 CB LYS A 433 -9.917 -1.037 -6.447 1.00 0.00 C ATOM 439 CG LYS A 433 -11.218 -1.775 -6.182 1.00 0.00 C ATOM 440 CD LYS A 433 -11.716 -2.490 -7.427 1.00 0.00 C ATOM 441 CE LYS A 433 -13.129 -3.022 -7.236 1.00 0.00 C ATOM 442 NZ LYS A 433 -13.477 -4.049 -8.257 1.00 0.00 N ATOM 0 H LYS A 433 -7.517 -0.325 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 433 -10.217 0.875 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -9.980 -0.543 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -9.105 -1.761 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -11.070 -2.498 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -11.975 -1.069 -5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -11.695 -1.805 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -11.045 -3.315 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -13.223 -3.454 -6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -13.839 -2.197 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -14.447 -4.387 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -13.412 -3.630 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.815 -4.848 -8.185 1.00 0.00 H new ATOM 456 N GLN A 434 -8.779 -0.609 -3.170 1.00 0.00 N ATOM 457 CA GLN A 434 -8.887 -1.138 -1.816 1.00 0.00 C ATOM 458 C GLN A 434 -8.607 -0.052 -0.782 1.00 0.00 C ATOM 459 O GLN A 434 -9.107 -0.106 0.341 1.00 0.00 O ATOM 460 CB GLN A 434 -7.916 -2.305 -1.623 1.00 0.00 C ATOM 461 CG GLN A 434 -7.972 -2.919 -0.234 1.00 0.00 C ATOM 462 CD GLN A 434 -9.314 -3.556 0.069 1.00 0.00 C ATOM 463 OE1 GLN A 434 -9.982 -3.193 1.038 1.00 0.00 O ATOM 464 NE2 GLN A 434 -9.718 -4.511 -0.760 1.00 0.00 N ATOM 0 H GLN A 434 -7.848 -0.276 -3.420 1.00 0.00 H new ATOM 0 HA GLN A 434 -9.907 -1.495 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -8.136 -3.076 -2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -6.901 -1.958 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -7.188 -3.671 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -7.764 -2.148 0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -9.133 -4.781 -1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -10.613 -4.975 -0.606 1.00 0.00 H new ATOM 473 N VAL A 435 -7.804 0.934 -1.170 1.00 0.00 N ATOM 474 CA VAL A 435 -7.458 2.033 -0.278 1.00 0.00 C ATOM 475 C VAL A 435 -8.010 3.356 -0.796 1.00 0.00 C ATOM 476 O VAL A 435 -8.491 4.186 -0.023 1.00 0.00 O ATOM 477 CB VAL A 435 -5.932 2.158 -0.107 1.00 0.00 C ATOM 478 CG1 VAL A 435 -5.596 3.211 0.939 1.00 0.00 C ATOM 479 CG2 VAL A 435 -5.326 0.813 0.265 1.00 0.00 C ATOM 0 H VAL A 435 -7.381 0.994 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 435 -7.908 1.809 0.689 1.00 0.00 H new ATOM 0 HB VAL A 435 -5.502 2.474 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -4.514 3.285 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -5.997 4.175 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -6.037 2.928 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -4.248 0.920 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -5.760 0.465 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.536 0.089 -0.522 1.00 0.00 H new ATOM 489 N HIS A 436 -7.938 3.548 -2.109 1.00 0.00 N ATOM 490 CA HIS A 436 -8.433 4.770 -2.732 1.00 0.00 C ATOM 491 C HIS A 436 -9.875 4.597 -3.200 1.00 0.00 C ATOM 492 O HIS A 436 -10.406 5.433 -3.932 1.00 0.00 O ATOM 493 CB HIS A 436 -7.544 5.161 -3.914 1.00 0.00 C ATOM 494 CG HIS A 436 -6.180 5.626 -3.509 1.00 0.00 C ATOM 495 ND1 HIS A 436 -5.969 6.685 -2.651 1.00 0.00 N ATOM 496 CD2 HIS A 436 -4.952 5.168 -3.847 1.00 0.00 C ATOM 497 CE1 HIS A 436 -4.670 6.860 -2.482 1.00 0.00 C ATOM 498 NE2 HIS A 436 -4.031 5.952 -3.196 1.00 0.00 N ATOM 0 H HIS A 436 -7.541 2.873 -2.762 1.00 0.00 H new ATOM 0 HA HIS A 436 -8.405 5.565 -1.987 1.00 0.00 H new ATOM 0 HB2 HIS A 436 -7.444 4.305 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 436 -8.035 5.952 -4.481 1.00 0.00 H new ATOM 0 HD1 HIS A 436 -6.701 7.246 -2.215 1.00 0.00 H new ATOM 0 HD2 HIS A 436 -4.736 4.340 -4.506 1.00 0.00 H new ATOM 0 HE1 HIS A 436 -4.210 7.617 -1.865 1.00 0.00 H new ATOM 506 N THR A 437 -10.503 3.506 -2.773 1.00 0.00 N ATOM 507 CA THR A 437 -11.882 3.223 -3.150 1.00 0.00 C ATOM 508 C THR A 437 -12.862 3.901 -2.200 1.00 0.00 C ATOM 509 O THR A 437 -12.764 3.755 -0.981 1.00 0.00 O ATOM 510 CB THR A 437 -12.161 1.708 -3.161 1.00 0.00 C ATOM 511 OG1 THR A 437 -13.571 1.470 -3.235 1.00 0.00 O ATOM 512 CG2 THR A 437 -11.595 1.044 -1.914 1.00 0.00 C ATOM 0 H THR A 437 -10.079 2.804 -2.166 1.00 0.00 H new ATOM 0 HA THR A 437 -12.022 3.619 -4.156 1.00 0.00 H new ATOM 0 HB THR A 437 -11.674 1.278 -4.036 1.00 0.00 H new ATOM 0 HG1 THR A 437 -13.740 0.505 -3.243 1.00 0.00 H new ATOM 0 HG21 THR A 437 -11.804 -0.025 -1.944 1.00 0.00 H new ATOM 0 HG22 THR A 437 -10.517 1.202 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 437 -12.058 1.479 -1.028 1.00 0.00 H new ATOM 520 N SER A 438 -13.809 4.644 -2.765 1.00 0.00 N ATOM 521 CA SER A 438 -14.806 5.349 -1.967 1.00 0.00 C ATOM 522 C SER A 438 -15.519 4.390 -1.018 1.00 0.00 C ATOM 523 O SER A 438 -16.280 3.525 -1.450 1.00 0.00 O ATOM 524 CB SER A 438 -15.826 6.036 -2.877 1.00 0.00 C ATOM 525 OG SER A 438 -15.263 7.175 -3.504 1.00 0.00 O ATOM 0 H SER A 438 -13.907 4.773 -3.772 1.00 0.00 H new ATOM 0 HA SER A 438 -14.292 6.105 -1.374 1.00 0.00 H new ATOM 0 HB2 SER A 438 -16.173 5.334 -3.635 1.00 0.00 H new ATOM 0 HB3 SER A 438 -16.698 6.332 -2.293 1.00 0.00 H new ATOM 0 HG SER A 438 -15.934 7.596 -4.082 1.00 0.00 H new ATOM 531 N GLU A 439 -15.265 4.551 0.277 1.00 0.00 N ATOM 532 CA GLU A 439 -15.882 3.699 1.287 1.00 0.00 C ATOM 533 C GLU A 439 -15.692 4.285 2.683 1.00 0.00 C ATOM 534 O GLU A 439 -14.566 4.539 3.113 1.00 0.00 O ATOM 535 CB GLU A 439 -15.289 2.289 1.228 1.00 0.00 C ATOM 536 CG GLU A 439 -15.928 1.319 2.208 1.00 0.00 C ATOM 537 CD GLU A 439 -15.362 1.447 3.609 1.00 0.00 C ATOM 538 OE1 GLU A 439 -14.141 1.677 3.737 1.00 0.00 O ATOM 539 OE2 GLU A 439 -16.140 1.316 4.577 1.00 0.00 O ATOM 0 H GLU A 439 -14.637 5.263 0.651 1.00 0.00 H new ATOM 0 HA GLU A 439 -16.950 3.645 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -15.402 1.898 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -14.219 2.345 1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -17.003 1.494 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -15.780 0.299 1.852 1.00 0.00 H new ATOM 546 N ARG A 440 -16.800 4.497 3.386 1.00 0.00 N ATOM 547 CA ARG A 440 -16.756 5.055 4.732 1.00 0.00 C ATOM 548 C ARG A 440 -17.806 4.401 5.626 1.00 0.00 C ATOM 549 O ARG A 440 -18.884 4.014 5.176 1.00 0.00 O ATOM 550 CB ARG A 440 -16.978 6.567 4.688 1.00 0.00 C ATOM 551 CG ARG A 440 -15.756 7.350 4.237 1.00 0.00 C ATOM 552 CD ARG A 440 -14.694 7.399 5.325 1.00 0.00 C ATOM 553 NE ARG A 440 -13.551 8.221 4.937 1.00 0.00 N ATOM 554 CZ ARG A 440 -13.572 9.550 4.924 1.00 0.00 C ATOM 555 NH1 ARG A 440 -14.671 10.202 5.275 1.00 0.00 N ATOM 556 NH2 ARG A 440 -12.491 10.228 4.559 1.00 0.00 N ATOM 0 H ARG A 440 -17.739 4.291 3.046 1.00 0.00 H new ATOM 0 HA ARG A 440 -15.770 4.852 5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -17.807 6.784 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -17.274 6.911 5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -15.339 6.892 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -16.051 8.364 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -15.132 7.796 6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -14.354 6.387 5.546 1.00 0.00 H new ATOM 0 HE ARG A 440 -12.690 7.750 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -15.504 9.684 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -14.684 11.222 5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -11.643 9.729 4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -12.508 11.248 4.549 1.00 0.00 H new ATOM 570 N PRO A 441 -17.484 4.275 6.922 1.00 0.00 N ATOM 571 CA PRO A 441 -18.386 3.668 7.905 1.00 0.00 C ATOM 572 C PRO A 441 -19.603 4.541 8.192 1.00 0.00 C ATOM 573 O PRO A 441 -19.601 5.739 7.906 1.00 0.00 O ATOM 574 CB PRO A 441 -17.513 3.541 9.156 1.00 0.00 C ATOM 575 CG PRO A 441 -16.476 4.600 9.003 1.00 0.00 C ATOM 576 CD PRO A 441 -16.216 4.714 7.526 1.00 0.00 C ATOM 0 HA PRO A 441 -18.793 2.720 7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 441 -18.098 3.688 10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 441 -17.061 2.551 9.225 1.00 0.00 H new ATOM 0 HG2 PRO A 441 -16.823 5.549 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 441 -15.565 4.335 9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 441 -15.967 5.736 7.239 1.00 0.00 H new ATOM 0 HD3 PRO A 441 -15.383 4.084 7.215 1.00 0.00 H new ATOM 584 N HIS A 442 -20.641 3.934 8.757 1.00 0.00 N ATOM 585 CA HIS A 442 -21.866 4.657 9.083 1.00 0.00 C ATOM 586 C HIS A 442 -22.001 4.844 10.591 1.00 0.00 C ATOM 587 O HIS A 442 -23.082 4.672 11.154 1.00 0.00 O ATOM 588 CB HIS A 442 -23.084 3.911 8.539 1.00 0.00 C ATOM 589 CG HIS A 442 -22.978 3.571 7.084 1.00 0.00 C ATOM 590 ND1 HIS A 442 -23.772 4.149 6.116 1.00 0.00 N ATOM 591 CD2 HIS A 442 -22.162 2.708 6.433 1.00 0.00 C ATOM 592 CE1 HIS A 442 -23.451 3.655 4.934 1.00 0.00 C ATOM 593 NE2 HIS A 442 -22.477 2.779 5.099 1.00 0.00 N ATOM 0 H HIS A 442 -20.659 2.943 8.999 1.00 0.00 H new ATOM 0 HA HIS A 442 -21.813 5.640 8.616 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -23.222 2.992 9.109 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -23.974 4.521 8.697 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -21.405 2.081 6.880 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -23.908 3.922 3.992 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -22.031 2.242 4.355 1.00 0.00 H new ATOM 601 N LYS A 443 -20.896 5.197 11.240 1.00 0.00 N ATOM 602 CA LYS A 443 -20.890 5.408 12.683 1.00 0.00 C ATOM 603 C LYS A 443 -20.536 6.853 13.020 1.00 0.00 C ATOM 604 O LYS A 443 -19.372 7.177 13.258 1.00 0.00 O ATOM 605 CB LYS A 443 -19.895 4.459 13.354 1.00 0.00 C ATOM 606 CG LYS A 443 -20.305 2.998 13.281 1.00 0.00 C ATOM 607 CD LYS A 443 -19.151 2.076 13.638 1.00 0.00 C ATOM 608 CE LYS A 443 -19.502 0.619 13.383 1.00 0.00 C ATOM 609 NZ LYS A 443 -18.773 -0.297 14.304 1.00 0.00 N ATOM 0 H LYS A 443 -19.993 5.343 10.789 1.00 0.00 H new ATOM 0 HA LYS A 443 -21.892 5.200 13.059 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -18.919 4.578 12.884 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -19.782 4.744 14.400 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -21.138 2.819 13.960 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -20.658 2.768 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -18.273 2.347 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -18.888 2.210 14.687 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -20.576 0.477 13.505 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -19.262 0.363 12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -19.040 -1.281 14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -17.748 -0.181 14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -19.021 -0.070 15.288 1.00 0.00 H new ATOM 623 N CYS A 444 -21.546 7.716 13.039 1.00 0.00 N ATOM 624 CA CYS A 444 -21.341 9.126 13.347 1.00 0.00 C ATOM 625 C CYS A 444 -22.664 9.808 13.681 1.00 0.00 C ATOM 626 O CYS A 444 -23.730 9.348 13.272 1.00 0.00 O ATOM 627 CB CYS A 444 -20.671 9.835 12.170 1.00 0.00 C ATOM 628 SG CYS A 444 -21.743 10.047 10.729 1.00 0.00 S ATOM 0 H CYS A 444 -22.515 7.463 12.845 1.00 0.00 H new ATOM 0 HA CYS A 444 -20.690 9.190 14.219 1.00 0.00 H new ATOM 0 HB2 CYS A 444 -20.325 10.815 12.499 1.00 0.00 H new ATOM 0 HB3 CYS A 444 -19.789 9.268 11.873 1.00 0.00 H new ATOM 0 HG CYS A 444 -21.088 10.658 9.787 1.00 0.00 H new ATOM 634 N GLN A 445 -22.587 10.905 14.427 1.00 0.00 N ATOM 635 CA GLN A 445 -23.780 11.648 14.818 1.00 0.00 C ATOM 636 C GLN A 445 -24.543 12.136 13.591 1.00 0.00 C ATOM 637 O GLN A 445 -24.064 12.994 12.850 1.00 0.00 O ATOM 638 CB GLN A 445 -23.399 12.836 15.702 1.00 0.00 C ATOM 639 CG GLN A 445 -24.583 13.467 16.416 1.00 0.00 C ATOM 640 CD GLN A 445 -25.311 14.481 15.556 1.00 0.00 C ATOM 641 OE1 GLN A 445 -25.965 14.125 14.575 1.00 0.00 O ATOM 642 NE2 GLN A 445 -25.202 15.754 15.919 1.00 0.00 N ATOM 0 H GLN A 445 -21.712 11.299 14.773 1.00 0.00 H new ATOM 0 HA GLN A 445 -24.427 10.977 15.383 1.00 0.00 H new ATOM 0 HB2 GLN A 445 -22.671 12.508 16.444 1.00 0.00 H new ATOM 0 HB3 GLN A 445 -22.910 13.593 15.089 1.00 0.00 H new ATOM 0 HG2 GLN A 445 -25.280 12.685 16.717 1.00 0.00 H new ATOM 0 HG3 GLN A 445 -24.236 13.953 17.328 1.00 0.00 H new ATOM 0 HE21 GLN A 445 -24.650 16.005 16.739 1.00 0.00 H new ATOM 0 HE22 GLN A 445 -25.670 16.481 15.378 1.00 0.00 H new ATOM 651 N VAL A 446 -25.734 11.582 13.383 1.00 0.00 N ATOM 652 CA VAL A 446 -26.565 11.962 12.246 1.00 0.00 C ATOM 653 C VAL A 446 -27.580 13.029 12.639 1.00 0.00 C ATOM 654 O VAL A 446 -28.067 13.050 13.769 1.00 0.00 O ATOM 655 CB VAL A 446 -27.312 10.746 11.667 1.00 0.00 C ATOM 656 CG1 VAL A 446 -28.305 10.197 12.680 1.00 0.00 C ATOM 657 CG2 VAL A 446 -28.014 11.121 10.370 1.00 0.00 C ATOM 0 H VAL A 446 -26.145 10.869 13.986 1.00 0.00 H new ATOM 0 HA VAL A 446 -25.896 12.365 11.485 1.00 0.00 H new ATOM 0 HB VAL A 446 -26.584 9.965 11.448 1.00 0.00 H new ATOM 0 HG11 VAL A 446 -28.823 9.338 12.253 1.00 0.00 H new ATOM 0 HG12 VAL A 446 -27.774 9.889 13.580 1.00 0.00 H new ATOM 0 HG13 VAL A 446 -29.031 10.970 12.933 1.00 0.00 H new ATOM 0 HG21 VAL A 446 -28.537 10.250 9.974 1.00 0.00 H new ATOM 0 HG22 VAL A 446 -28.731 11.919 10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 446 -27.277 11.463 9.643 1.00 0.00 H new ATOM 667 N TRP A 447 -27.894 13.913 11.699 1.00 0.00 N ATOM 668 CA TRP A 447 -28.853 14.984 11.947 1.00 0.00 C ATOM 669 C TRP A 447 -29.921 15.021 10.859 1.00 0.00 C ATOM 670 O TRP A 447 -29.629 14.812 9.682 1.00 0.00 O ATOM 671 CB TRP A 447 -28.135 16.332 12.020 1.00 0.00 C ATOM 672 CG TRP A 447 -28.980 17.481 11.559 1.00 0.00 C ATOM 673 CD1 TRP A 447 -29.601 18.409 12.345 1.00 0.00 C ATOM 674 CD2 TRP A 447 -29.297 17.822 10.205 1.00 0.00 C ATOM 675 NE1 TRP A 447 -30.285 19.306 11.561 1.00 0.00 N ATOM 676 CE2 TRP A 447 -30.114 18.968 10.245 1.00 0.00 C ATOM 677 CE3 TRP A 447 -28.969 17.271 8.963 1.00 0.00 C ATOM 678 CZ2 TRP A 447 -30.607 19.571 9.091 1.00 0.00 C ATOM 679 CZ3 TRP A 447 -29.460 17.871 7.818 1.00 0.00 C ATOM 680 CH2 TRP A 447 -30.271 19.011 7.888 1.00 0.00 C ATOM 0 H TRP A 447 -27.499 13.910 10.759 1.00 0.00 H new ATOM 0 HA TRP A 447 -29.341 14.788 12.902 1.00 0.00 H new ATOM 0 HB2 TRP A 447 -27.819 16.512 13.048 1.00 0.00 H new ATOM 0 HB3 TRP A 447 -27.232 16.288 11.412 1.00 0.00 H new ATOM 0 HD1 TRP A 447 -29.560 18.434 13.424 1.00 0.00 H new ATOM 0 HE1 TRP A 447 -30.832 20.096 11.904 1.00 0.00 H new ATOM 0 HE3 TRP A 447 -28.344 16.393 8.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 447 -31.233 20.450 9.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 447 -29.214 17.453 6.853 1.00 0.00 H new ATOM 0 HH2 TRP A 447 -30.638 19.457 6.975 1.00 0.00 H new ATOM 691 N VAL A 448 -31.159 15.288 11.261 1.00 0.00 N ATOM 692 CA VAL A 448 -32.271 15.354 10.320 1.00 0.00 C ATOM 693 C VAL A 448 -31.822 15.920 8.978 1.00 0.00 C ATOM 694 O VAL A 448 -31.722 17.135 8.806 1.00 0.00 O ATOM 695 CB VAL A 448 -33.421 16.218 10.870 1.00 0.00 C ATOM 696 CG1 VAL A 448 -34.206 15.455 11.926 1.00 0.00 C ATOM 697 CG2 VAL A 448 -32.883 17.525 11.434 1.00 0.00 C ATOM 0 H VAL A 448 -31.418 15.462 12.232 1.00 0.00 H new ATOM 0 HA VAL A 448 -32.628 14.334 10.180 1.00 0.00 H new ATOM 0 HB VAL A 448 -34.098 16.454 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -35.014 16.082 12.302 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -34.624 14.550 11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -33.543 15.185 12.748 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -33.709 18.123 11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -32.183 17.312 12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -32.371 18.078 10.646 1.00 0.00 H new ATOM 707 N SER A 449 -31.552 15.030 8.028 1.00 0.00 N ATOM 708 CA SER A 449 -31.109 15.440 6.700 1.00 0.00 C ATOM 709 C SER A 449 -31.988 14.818 5.618 1.00 0.00 C ATOM 710 O SER A 449 -31.675 13.755 5.085 1.00 0.00 O ATOM 711 CB SER A 449 -29.649 15.040 6.480 1.00 0.00 C ATOM 712 OG SER A 449 -29.194 15.453 5.202 1.00 0.00 O ATOM 0 H SER A 449 -31.632 14.021 8.153 1.00 0.00 H new ATOM 0 HA SER A 449 -31.195 16.525 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 449 -29.025 15.488 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 449 -29.547 13.959 6.574 1.00 0.00 H new ATOM 0 HG SER A 449 -28.258 15.187 5.086 1.00 0.00 H new ATOM 718 N GLY A 450 -33.089 15.491 5.300 1.00 0.00 N ATOM 719 CA GLY A 450 -33.997 14.990 4.284 1.00 0.00 C ATOM 720 C GLY A 450 -35.452 15.218 4.644 1.00 0.00 C ATOM 721 O GLY A 450 -36.017 16.282 4.390 1.00 0.00 O ATOM 0 H GLY A 450 -33.369 16.374 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -33.780 15.479 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -33.824 13.923 4.141 1.00 0.00 H new ATOM 725 N PRO A 451 -36.082 14.199 5.247 1.00 0.00 N ATOM 726 CA PRO A 451 -37.489 14.269 5.654 1.00 0.00 C ATOM 727 C PRO A 451 -37.709 15.225 6.821 1.00 0.00 C ATOM 728 O PRO A 451 -37.490 14.868 7.978 1.00 0.00 O ATOM 729 CB PRO A 451 -37.809 12.832 6.073 1.00 0.00 C ATOM 730 CG PRO A 451 -36.495 12.251 6.468 1.00 0.00 C ATOM 731 CD PRO A 451 -35.471 12.902 5.580 1.00 0.00 C ATOM 0 HA PRO A 451 -38.126 14.647 4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 451 -38.517 12.810 6.902 1.00 0.00 H new ATOM 0 HB3 PRO A 451 -38.259 12.272 5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 451 -36.282 12.447 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 451 -36.492 11.169 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 451 -34.517 13.027 6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 451 -35.278 12.308 4.687 1.00 0.00 H new ATOM 739 N SER A 452 -38.143 16.442 6.509 1.00 0.00 N ATOM 740 CA SER A 452 -38.389 17.451 7.532 1.00 0.00 C ATOM 741 C SER A 452 -39.758 17.251 8.175 1.00 0.00 C ATOM 742 O SER A 452 -40.481 18.213 8.436 1.00 0.00 O ATOM 743 CB SER A 452 -38.297 18.854 6.928 1.00 0.00 C ATOM 744 OG SER A 452 -39.212 19.008 5.856 1.00 0.00 O ATOM 0 H SER A 452 -38.331 16.753 5.556 1.00 0.00 H new ATOM 0 HA SER A 452 -37.626 17.344 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 452 -38.504 19.599 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 452 -37.282 19.035 6.573 1.00 0.00 H new ATOM 0 HG SER A 452 -39.135 19.913 5.488 1.00 0.00 H new ATOM 750 N SER A 453 -40.108 15.994 8.427 1.00 0.00 N ATOM 751 CA SER A 453 -41.392 15.665 9.036 1.00 0.00 C ATOM 752 C SER A 453 -41.217 14.639 10.152 1.00 0.00 C ATOM 753 O SER A 453 -40.168 14.009 10.272 1.00 0.00 O ATOM 754 CB SER A 453 -42.358 15.126 7.979 1.00 0.00 C ATOM 755 OG SER A 453 -41.822 13.985 7.332 1.00 0.00 O ATOM 0 H SER A 453 -39.521 15.186 8.219 1.00 0.00 H new ATOM 0 HA SER A 453 -41.807 16.577 9.466 1.00 0.00 H new ATOM 0 HB2 SER A 453 -43.308 14.869 8.447 1.00 0.00 H new ATOM 0 HB3 SER A 453 -42.565 15.902 7.242 1.00 0.00 H new ATOM 0 HG SER A 453 -42.459 13.659 6.663 1.00 0.00 H new ATOM 761 N GLY A 454 -42.256 14.477 10.966 1.00 0.00 N ATOM 762 CA GLY A 454 -42.198 13.528 12.062 1.00 0.00 C ATOM 763 C GLY A 454 -42.577 14.152 13.390 1.00 0.00 C ATOM 764 O GLY A 454 -42.081 13.743 14.440 1.00 0.00 O ATOM 0 H GLY A 454 -43.136 14.986 10.886 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -42.867 12.694 11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -41.190 13.119 12.131 1.00 0.00 H new TER 768 GLY A 454 HETATM 769 ZN ZN A 201 -2.342 5.194 -3.674 1.00 0.00 ZN