USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 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 -57:sc= 0.177 USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 408 SER OG : rot 32:sc= 0.0409 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= 0.879 K(o=0.88,f=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ 152:sc= -0.441 (180deg=-1.83) USER MOD Single : A 423 SER OG : rot 180:sc= -0.129 USER MOD Single : A 427 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-2.9!) USER MOD Single : A 429 ASN : amide:sc= -4.44! C(o=-4.4!,f=-8.1!) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 434 GLN : amide:sc= -0.532 K(o=-0.53,f=-1.7) USER MOD Single : A 437 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot 4:sc= 1.18 USER MOD Single : A 442 HIS : no HE2:sc= 0.503 K(o=0.5,f=-1.9!) USER MOD Single : A 443 LYS NZ :NH3+ 151:sc= 0.00739 (180deg=0) USER MOD Single : A 444 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.4) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot 17:sc= 1.18 USER MOD Single : A 453 SER OG : rot 180:sc= -0.066 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 401 18.539 24.861 -7.387 1.00 0.00 N ATOM 2 CA GLY A 401 17.550 24.484 -6.393 1.00 0.00 C ATOM 3 C GLY A 401 16.584 23.435 -6.907 1.00 0.00 C ATOM 4 O GLY A 401 15.370 23.574 -6.757 1.00 0.00 O ATOM 0 HA2 GLY A 401 18.057 24.104 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 401 16.992 25.369 -6.086 1.00 0.00 H new ATOM 8 N SER A 402 17.122 22.383 -7.515 1.00 0.00 N ATOM 9 CA SER A 402 16.298 21.309 -8.057 1.00 0.00 C ATOM 10 C SER A 402 16.013 20.254 -6.994 1.00 0.00 C ATOM 11 O SER A 402 14.863 20.034 -6.614 1.00 0.00 O ATOM 12 CB SER A 402 16.991 20.664 -9.260 1.00 0.00 C ATOM 13 OG SER A 402 16.170 19.669 -9.847 1.00 0.00 O ATOM 0 H SER A 402 18.125 22.251 -7.645 1.00 0.00 H new ATOM 0 HA SER A 402 15.350 21.739 -8.380 1.00 0.00 H new ATOM 0 HB2 SER A 402 17.228 21.428 -10.000 1.00 0.00 H new ATOM 0 HB3 SER A 402 17.936 20.221 -8.945 1.00 0.00 H new ATOM 0 HG SER A 402 16.634 19.273 -10.614 1.00 0.00 H new ATOM 19 N SER A 403 17.069 19.602 -6.517 1.00 0.00 N ATOM 20 CA SER A 403 16.933 18.566 -5.500 1.00 0.00 C ATOM 21 C SER A 403 15.742 17.662 -5.802 1.00 0.00 C ATOM 22 O SER A 403 14.964 17.322 -4.911 1.00 0.00 O ATOM 23 CB SER A 403 16.770 19.199 -4.116 1.00 0.00 C ATOM 24 OG SER A 403 18.026 19.555 -3.567 1.00 0.00 O ATOM 0 H SER A 403 18.028 19.773 -6.819 1.00 0.00 H new ATOM 0 HA SER A 403 17.839 17.960 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 403 16.138 20.084 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 403 16.264 18.500 -3.450 1.00 0.00 H new ATOM 0 HG SER A 403 17.894 19.959 -2.684 1.00 0.00 H new ATOM 30 N GLY A 404 15.607 17.274 -7.066 1.00 0.00 N ATOM 31 CA GLY A 404 14.509 16.413 -7.465 1.00 0.00 C ATOM 32 C GLY A 404 14.608 15.980 -8.914 1.00 0.00 C ATOM 33 O GLY A 404 15.700 15.709 -9.415 1.00 0.00 O ATOM 0 H GLY A 404 16.239 17.541 -7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 404 14.493 15.530 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 404 13.566 16.937 -7.309 1.00 0.00 H new ATOM 37 N SER A 405 13.466 15.912 -9.590 1.00 0.00 N ATOM 38 CA SER A 405 13.428 15.503 -10.989 1.00 0.00 C ATOM 39 C SER A 405 13.956 14.081 -11.154 1.00 0.00 C ATOM 40 O SER A 405 14.756 13.804 -12.047 1.00 0.00 O ATOM 41 CB SER A 405 14.250 16.467 -11.846 1.00 0.00 C ATOM 42 OG SER A 405 14.000 16.263 -13.226 1.00 0.00 O ATOM 0 H SER A 405 12.554 16.135 -9.191 1.00 0.00 H new ATOM 0 HA SER A 405 12.390 15.527 -11.321 1.00 0.00 H new ATOM 0 HB2 SER A 405 14.007 17.495 -11.577 1.00 0.00 H new ATOM 0 HB3 SER A 405 15.311 16.326 -11.641 1.00 0.00 H new ATOM 0 HG SER A 405 14.194 15.331 -13.459 1.00 0.00 H new ATOM 48 N SER A 406 13.501 13.183 -10.285 1.00 0.00 N ATOM 49 CA SER A 406 13.930 11.790 -10.331 1.00 0.00 C ATOM 50 C SER A 406 12.787 10.857 -9.941 1.00 0.00 C ATOM 51 O SER A 406 11.795 11.285 -9.353 1.00 0.00 O ATOM 52 CB SER A 406 15.123 11.571 -9.400 1.00 0.00 C ATOM 53 OG SER A 406 14.853 12.065 -8.100 1.00 0.00 O ATOM 0 H SER A 406 12.836 13.395 -9.541 1.00 0.00 H new ATOM 0 HA SER A 406 14.230 11.561 -11.354 1.00 0.00 H new ATOM 0 HB2 SER A 406 15.356 10.508 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 406 16.002 12.071 -9.807 1.00 0.00 H new ATOM 0 HG SER A 406 15.631 11.911 -7.524 1.00 0.00 H new ATOM 59 N GLY A 407 12.936 9.578 -10.273 1.00 0.00 N ATOM 60 CA GLY A 407 11.910 8.604 -9.950 1.00 0.00 C ATOM 61 C GLY A 407 12.427 7.492 -9.058 1.00 0.00 C ATOM 62 O GLY A 407 13.258 7.727 -8.181 1.00 0.00 O ATOM 0 H GLY A 407 13.749 9.199 -10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 407 11.079 9.107 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 407 11.518 8.174 -10.872 1.00 0.00 H new ATOM 66 N SER A 408 11.932 6.279 -9.281 1.00 0.00 N ATOM 67 CA SER A 408 12.345 5.128 -8.486 1.00 0.00 C ATOM 68 C SER A 408 12.783 3.976 -9.386 1.00 0.00 C ATOM 69 O SER A 408 12.096 3.627 -10.346 1.00 0.00 O ATOM 70 CB SER A 408 11.202 4.673 -7.577 1.00 0.00 C ATOM 71 OG SER A 408 10.036 4.383 -8.329 1.00 0.00 O ATOM 0 H SER A 408 11.245 6.068 -10.005 1.00 0.00 H new ATOM 0 HA SER A 408 13.193 5.428 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 408 11.508 3.788 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 408 10.983 5.451 -6.846 1.00 0.00 H new ATOM 0 HG SER A 408 10.292 4.035 -9.209 1.00 0.00 H new ATOM 77 N VAL A 409 13.933 3.390 -9.068 1.00 0.00 N ATOM 78 CA VAL A 409 14.464 2.277 -9.846 1.00 0.00 C ATOM 79 C VAL A 409 13.943 0.943 -9.323 1.00 0.00 C ATOM 80 O VAL A 409 14.530 0.345 -8.422 1.00 0.00 O ATOM 81 CB VAL A 409 16.004 2.259 -9.820 1.00 0.00 C ATOM 82 CG1 VAL A 409 16.538 1.063 -10.594 1.00 0.00 C ATOM 83 CG2 VAL A 409 16.561 3.559 -10.382 1.00 0.00 C ATOM 0 H VAL A 409 14.515 3.667 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 409 14.126 2.419 -10.873 1.00 0.00 H new ATOM 0 HB VAL A 409 16.331 2.167 -8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 409 17.628 1.067 -10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 409 16.166 0.143 -10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 409 16.203 1.121 -11.630 1.00 0.00 H new ATOM 0 HG21 VAL A 409 17.650 3.529 -10.356 1.00 0.00 H new ATOM 0 HG22 VAL A 409 16.226 3.684 -11.412 1.00 0.00 H new ATOM 0 HG23 VAL A 409 16.207 4.397 -9.781 1.00 0.00 H new ATOM 93 N GLY A 410 12.836 0.481 -9.896 1.00 0.00 N ATOM 94 CA GLY A 410 12.254 -0.780 -9.476 1.00 0.00 C ATOM 95 C GLY A 410 10.771 -0.864 -9.781 1.00 0.00 C ATOM 96 O GLY A 410 10.351 -1.625 -10.653 1.00 0.00 O ATOM 0 H GLY A 410 12.332 0.958 -10.644 1.00 0.00 H new ATOM 0 HA2 GLY A 410 12.771 -1.600 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 410 12.410 -0.910 -8.405 1.00 0.00 H new ATOM 100 N LYS A 411 9.975 -0.082 -9.060 1.00 0.00 N ATOM 101 CA LYS A 411 8.530 -0.071 -9.257 1.00 0.00 C ATOM 102 C LYS A 411 8.099 1.158 -10.051 1.00 0.00 C ATOM 103 O LYS A 411 7.923 2.248 -9.508 1.00 0.00 O ATOM 104 CB LYS A 411 7.811 -0.096 -7.906 1.00 0.00 C ATOM 105 CG LYS A 411 7.973 -1.407 -7.155 1.00 0.00 C ATOM 106 CD LYS A 411 9.328 -1.494 -6.473 1.00 0.00 C ATOM 107 CE LYS A 411 9.513 -2.830 -5.770 1.00 0.00 C ATOM 108 NZ LYS A 411 8.895 -2.834 -4.415 1.00 0.00 N ATOM 0 H LYS A 411 10.306 0.553 -8.334 1.00 0.00 H new ATOM 0 HA LYS A 411 8.258 -0.962 -9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 411 8.190 0.717 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 411 6.749 0.093 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.183 -1.501 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 411 7.859 -2.241 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.118 -1.358 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 411 9.425 -0.684 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.070 -3.622 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.577 -3.051 -5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 9.043 -3.762 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 9.335 -2.095 -3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 7.875 -2.648 -4.498 1.00 0.00 H new ATOM 122 N PRO A 412 7.922 0.979 -11.369 1.00 0.00 N ATOM 123 CA PRO A 412 7.507 2.062 -12.266 1.00 0.00 C ATOM 124 C PRO A 412 6.062 2.487 -12.030 1.00 0.00 C ATOM 125 O PRO A 412 5.764 3.678 -11.925 1.00 0.00 O ATOM 126 CB PRO A 412 7.664 1.448 -13.659 1.00 0.00 C ATOM 127 CG PRO A 412 7.531 -0.020 -13.443 1.00 0.00 C ATOM 128 CD PRO A 412 8.114 -0.293 -12.085 1.00 0.00 C ATOM 0 HA PRO A 412 8.097 2.966 -12.115 1.00 0.00 H new ATOM 0 HB2 PRO A 412 6.901 1.818 -14.343 1.00 0.00 H new ATOM 0 HB3 PRO A 412 8.631 1.698 -14.095 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.486 -0.328 -13.488 1.00 0.00 H new ATOM 0 HG3 PRO A 412 8.062 -0.578 -14.215 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.602 -1.116 -11.586 1.00 0.00 H new ATOM 0 HD3 PRO A 412 9.168 -0.564 -12.147 1.00 0.00 H new ATOM 136 N TYR A 413 5.168 1.509 -11.948 1.00 0.00 N ATOM 137 CA TYR A 413 3.753 1.782 -11.727 1.00 0.00 C ATOM 138 C TYR A 413 3.543 2.543 -10.421 1.00 0.00 C ATOM 139 O TYR A 413 3.432 1.942 -9.352 1.00 0.00 O ATOM 140 CB TYR A 413 2.957 0.476 -11.704 1.00 0.00 C ATOM 141 CG TYR A 413 2.948 -0.251 -13.029 1.00 0.00 C ATOM 142 CD1 TYR A 413 3.701 0.209 -14.102 1.00 0.00 C ATOM 143 CD2 TYR A 413 2.188 -1.401 -13.207 1.00 0.00 C ATOM 144 CE1 TYR A 413 3.695 -0.452 -15.315 1.00 0.00 C ATOM 145 CE2 TYR A 413 2.177 -2.069 -14.416 1.00 0.00 C ATOM 146 CZ TYR A 413 2.932 -1.591 -15.467 1.00 0.00 C ATOM 147 OH TYR A 413 2.925 -2.253 -16.673 1.00 0.00 O ATOM 0 H TYR A 413 5.398 0.519 -12.031 1.00 0.00 H new ATOM 0 HA TYR A 413 3.396 2.402 -12.549 1.00 0.00 H new ATOM 0 HB2 TYR A 413 3.375 -0.181 -10.941 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.930 0.692 -11.410 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.302 1.099 -13.986 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.596 -1.779 -12.386 1.00 0.00 H new ATOM 0 HE1 TYR A 413 4.284 -0.079 -16.140 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.580 -2.961 -14.538 1.00 0.00 H new ATOM 0 HH TYR A 413 2.338 -3.036 -16.613 1.00 0.00 H new ATOM 157 N ILE A 414 3.488 3.867 -10.517 1.00 0.00 N ATOM 158 CA ILE A 414 3.290 4.710 -9.345 1.00 0.00 C ATOM 159 C ILE A 414 1.841 5.172 -9.240 1.00 0.00 C ATOM 160 O ILE A 414 1.290 5.746 -10.180 1.00 0.00 O ATOM 161 CB ILE A 414 4.210 5.944 -9.377 1.00 0.00 C ATOM 162 CG1 ILE A 414 5.678 5.515 -9.341 1.00 0.00 C ATOM 163 CG2 ILE A 414 3.895 6.870 -8.212 1.00 0.00 C ATOM 164 CD1 ILE A 414 5.955 4.393 -8.364 1.00 0.00 C ATOM 0 H ILE A 414 3.578 4.379 -11.395 1.00 0.00 H new ATOM 0 HA ILE A 414 3.540 4.104 -8.474 1.00 0.00 H new ATOM 0 HB ILE A 414 4.032 6.486 -10.306 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.981 5.200 -10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 414 6.293 6.375 -9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.554 7.738 -8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.858 7.199 -8.279 1.00 0.00 H new ATOM 0 HG23 ILE A 414 4.047 6.338 -7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 414 7.015 4.140 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.684 4.712 -7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.366 3.518 -8.639 1.00 0.00 H new ATOM 176 N CYS A 415 1.227 4.921 -8.088 1.00 0.00 N ATOM 177 CA CYS A 415 -0.158 5.312 -7.858 1.00 0.00 C ATOM 178 C CYS A 415 -0.363 6.794 -8.160 1.00 0.00 C ATOM 179 O CYS A 415 0.408 7.641 -7.710 1.00 0.00 O ATOM 180 CB CYS A 415 -0.560 5.016 -6.411 1.00 0.00 C ATOM 181 SG CYS A 415 -2.355 5.088 -6.109 1.00 0.00 S ATOM 0 H CYS A 415 1.668 4.448 -7.299 1.00 0.00 H new ATOM 0 HA CYS A 415 -0.789 4.731 -8.531 1.00 0.00 H new ATOM 0 HB2 CYS A 415 -0.196 4.025 -6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 415 -0.063 5.729 -5.754 1.00 0.00 H new ATOM 186 N GLN A 416 -1.406 7.097 -8.926 1.00 0.00 N ATOM 187 CA GLN A 416 -1.711 8.476 -9.289 1.00 0.00 C ATOM 188 C GLN A 416 -2.663 9.107 -8.278 1.00 0.00 C ATOM 189 O GLN A 416 -3.330 10.098 -8.574 1.00 0.00 O ATOM 190 CB GLN A 416 -2.323 8.534 -10.689 1.00 0.00 C ATOM 191 CG GLN A 416 -1.456 7.891 -11.759 1.00 0.00 C ATOM 192 CD GLN A 416 -0.217 8.707 -12.074 1.00 0.00 C ATOM 193 OE1 GLN A 416 -0.300 9.773 -12.684 1.00 0.00 O ATOM 194 NE2 GLN A 416 0.941 8.208 -11.658 1.00 0.00 N ATOM 0 H GLN A 416 -2.053 6.407 -9.307 1.00 0.00 H new ATOM 0 HA GLN A 416 -0.779 9.041 -9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 416 -3.293 8.038 -10.673 1.00 0.00 H new ATOM 0 HB3 GLN A 416 -2.502 9.576 -10.955 1.00 0.00 H new ATOM 0 HG2 GLN A 416 -1.157 6.896 -11.430 1.00 0.00 H new ATOM 0 HG3 GLN A 416 -2.043 7.763 -12.668 1.00 0.00 H new ATOM 0 HE21 GLN A 416 0.963 7.321 -11.156 1.00 0.00 H new ATOM 0 HE22 GLN A 416 1.809 8.712 -11.841 1.00 0.00 H new ATOM 203 N SER A 417 -2.721 8.526 -7.084 1.00 0.00 N ATOM 204 CA SER A 417 -3.595 9.029 -6.031 1.00 0.00 C ATOM 205 C SER A 417 -2.781 9.523 -4.839 1.00 0.00 C ATOM 206 O SER A 417 -3.001 10.625 -4.336 1.00 0.00 O ATOM 207 CB SER A 417 -4.568 7.937 -5.581 1.00 0.00 C ATOM 208 OG SER A 417 -5.762 7.972 -6.343 1.00 0.00 O ATOM 0 H SER A 417 -2.173 7.707 -6.822 1.00 0.00 H new ATOM 0 HA SER A 417 -4.163 9.868 -6.434 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.096 6.960 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.803 8.068 -4.525 1.00 0.00 H new ATOM 0 HG SER A 417 -6.366 7.264 -6.037 1.00 0.00 H new ATOM 214 N CYS A 418 -1.839 8.699 -4.392 1.00 0.00 N ATOM 215 CA CYS A 418 -0.991 9.050 -3.259 1.00 0.00 C ATOM 216 C CYS A 418 0.467 9.181 -3.691 1.00 0.00 C ATOM 217 O CYS A 418 1.171 10.097 -3.269 1.00 0.00 O ATOM 218 CB CYS A 418 -1.114 7.996 -2.157 1.00 0.00 C ATOM 219 SG CYS A 418 -0.807 6.291 -2.721 1.00 0.00 S ATOM 0 H CYS A 418 -1.644 7.784 -4.797 1.00 0.00 H new ATOM 0 HA CYS A 418 -1.325 10.012 -2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -0.411 8.236 -1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -2.114 8.051 -1.727 1.00 0.00 H new ATOM 224 N GLY A 419 0.913 8.257 -4.537 1.00 0.00 N ATOM 225 CA GLY A 419 2.284 8.287 -5.013 1.00 0.00 C ATOM 226 C GLY A 419 2.993 6.961 -4.821 1.00 0.00 C ATOM 227 O GLY A 419 4.157 6.811 -5.196 1.00 0.00 O ATOM 0 H GLY A 419 0.350 7.489 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 419 2.293 8.550 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 419 2.832 9.068 -4.486 1.00 0.00 H new ATOM 231 N LYS A 420 2.293 5.996 -4.235 1.00 0.00 N ATOM 232 CA LYS A 420 2.862 4.676 -3.993 1.00 0.00 C ATOM 233 C LYS A 420 3.483 4.110 -5.266 1.00 0.00 C ATOM 234 O LYS A 420 3.454 4.746 -6.318 1.00 0.00 O ATOM 235 CB LYS A 420 1.785 3.722 -3.471 1.00 0.00 C ATOM 236 CG LYS A 420 1.636 3.742 -1.960 1.00 0.00 C ATOM 237 CD LYS A 420 1.066 2.433 -1.438 1.00 0.00 C ATOM 238 CE LYS A 420 0.727 2.523 0.042 1.00 0.00 C ATOM 239 NZ LYS A 420 0.049 3.805 0.379 1.00 0.00 N ATOM 0 H LYS A 420 1.329 6.104 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 420 3.645 4.777 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.829 3.983 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 420 2.024 2.708 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.607 3.926 -1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 420 0.984 4.566 -1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 420 0.170 2.174 -2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.787 1.631 -1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 420 0.083 1.688 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 420 1.640 2.430 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -0.568 3.665 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 0.763 4.528 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -0.523 4.119 -0.431 1.00 0.00 H new ATOM 253 N GLY A 421 4.045 2.909 -5.162 1.00 0.00 N ATOM 254 CA GLY A 421 4.664 2.277 -6.312 1.00 0.00 C ATOM 255 C GLY A 421 4.534 0.767 -6.285 1.00 0.00 C ATOM 256 O GLY A 421 4.593 0.151 -5.220 1.00 0.00 O ATOM 0 H GLY A 421 4.082 2.363 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 421 4.207 2.661 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 421 5.719 2.547 -6.346 1.00 0.00 H new ATOM 260 N PHE A 422 4.355 0.169 -7.457 1.00 0.00 N ATOM 261 CA PHE A 422 4.213 -1.279 -7.563 1.00 0.00 C ATOM 262 C PHE A 422 4.968 -1.811 -8.778 1.00 0.00 C ATOM 263 O PHE A 422 5.437 -1.043 -9.617 1.00 0.00 O ATOM 264 CB PHE A 422 2.735 -1.662 -7.659 1.00 0.00 C ATOM 265 CG PHE A 422 1.933 -1.263 -6.453 1.00 0.00 C ATOM 266 CD1 PHE A 422 1.681 0.072 -6.183 1.00 0.00 C ATOM 267 CD2 PHE A 422 1.432 -2.223 -5.590 1.00 0.00 C ATOM 268 CE1 PHE A 422 0.944 0.442 -5.074 1.00 0.00 C ATOM 269 CE2 PHE A 422 0.694 -1.860 -4.479 1.00 0.00 C ATOM 270 CZ PHE A 422 0.449 -0.525 -4.221 1.00 0.00 C ATOM 0 H PHE A 422 4.305 0.664 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 422 4.640 -1.728 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 422 2.303 -1.194 -8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.656 -2.740 -7.798 1.00 0.00 H new ATOM 0 HD1 PHE A 422 2.065 0.833 -6.847 1.00 0.00 H new ATOM 0 HD2 PHE A 422 1.620 -3.268 -5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 422 0.755 1.486 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 422 0.309 -2.619 -3.814 1.00 0.00 H new ATOM 0 HZ PHE A 422 -0.128 -0.238 -3.354 1.00 0.00 H new ATOM 280 N SER A 423 5.081 -3.133 -8.864 1.00 0.00 N ATOM 281 CA SER A 423 5.782 -3.770 -9.973 1.00 0.00 C ATOM 282 C SER A 423 4.795 -4.284 -11.016 1.00 0.00 C ATOM 283 O SER A 423 5.092 -4.306 -12.210 1.00 0.00 O ATOM 284 CB SER A 423 6.648 -4.923 -9.461 1.00 0.00 C ATOM 285 OG SER A 423 7.869 -4.444 -8.923 1.00 0.00 O ATOM 0 H SER A 423 4.696 -3.783 -8.179 1.00 0.00 H new ATOM 0 HA SER A 423 6.423 -3.024 -10.442 1.00 0.00 H new ATOM 0 HB2 SER A 423 6.104 -5.479 -8.698 1.00 0.00 H new ATOM 0 HB3 SER A 423 6.853 -5.617 -10.276 1.00 0.00 H new ATOM 0 HG SER A 423 8.403 -5.200 -8.601 1.00 0.00 H new ATOM 291 N ARG A 424 3.619 -4.698 -10.555 1.00 0.00 N ATOM 292 CA ARG A 424 2.588 -5.214 -11.447 1.00 0.00 C ATOM 293 C ARG A 424 1.407 -4.250 -11.528 1.00 0.00 C ATOM 294 O ARG A 424 1.161 -3.454 -10.622 1.00 0.00 O ATOM 295 CB ARG A 424 2.108 -6.585 -10.968 1.00 0.00 C ATOM 296 CG ARG A 424 3.134 -7.690 -11.159 1.00 0.00 C ATOM 297 CD ARG A 424 2.466 -9.038 -11.382 1.00 0.00 C ATOM 298 NE ARG A 424 2.053 -9.220 -12.771 1.00 0.00 N ATOM 299 CZ ARG A 424 1.081 -10.044 -13.146 1.00 0.00 C ATOM 300 NH1 ARG A 424 0.427 -10.758 -12.241 1.00 0.00 N ATOM 301 NH2 ARG A 424 0.762 -10.155 -14.430 1.00 0.00 N ATOM 0 H ARG A 424 3.357 -4.686 -9.569 1.00 0.00 H new ATOM 0 HA ARG A 424 3.022 -5.316 -12.442 1.00 0.00 H new ATOM 0 HB2 ARG A 424 1.848 -6.521 -9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 424 1.197 -6.850 -11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 424 3.771 -7.453 -12.011 1.00 0.00 H new ATOM 0 HG3 ARG A 424 3.780 -7.743 -10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 424 3.155 -9.835 -11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 424 1.596 -9.124 -10.731 1.00 0.00 H new ATOM 0 HE ARG A 424 2.537 -8.685 -13.492 1.00 0.00 H new ATOM 0 HH11 ARG A 424 0.670 -10.676 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 424 -0.319 -11.390 -12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 424 1.263 -9.607 -15.129 1.00 0.00 H new ATOM 0 HH22 ARG A 424 0.015 -10.788 -14.717 1.00 0.00 H new ATOM 315 N PRO A 425 0.659 -4.323 -12.639 1.00 0.00 N ATOM 316 CA PRO A 425 -0.508 -3.464 -12.865 1.00 0.00 C ATOM 317 C PRO A 425 -1.670 -3.811 -11.942 1.00 0.00 C ATOM 318 O PRO A 425 -2.297 -2.927 -11.358 1.00 0.00 O ATOM 319 CB PRO A 425 -0.879 -3.748 -14.323 1.00 0.00 C ATOM 320 CG PRO A 425 -0.353 -5.116 -14.588 1.00 0.00 C ATOM 321 CD PRO A 425 0.894 -5.248 -13.760 1.00 0.00 C ATOM 0 HA PRO A 425 -0.289 -2.416 -12.663 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -1.958 -3.703 -14.473 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -0.433 -3.015 -14.995 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -1.085 -5.875 -14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -0.134 -5.251 -15.647 1.00 0.00 H new ATOM 0 HD2 PRO A 425 1.039 -6.271 -13.413 1.00 0.00 H new ATOM 0 HD3 PRO A 425 1.784 -4.974 -14.327 1.00 0.00 H new ATOM 329 N ASP A 426 -1.953 -5.103 -11.813 1.00 0.00 N ATOM 330 CA ASP A 426 -3.040 -5.567 -10.959 1.00 0.00 C ATOM 331 C ASP A 426 -2.748 -5.260 -9.494 1.00 0.00 C ATOM 332 O ASP A 426 -3.640 -4.868 -8.741 1.00 0.00 O ATOM 333 CB ASP A 426 -3.257 -7.070 -11.145 1.00 0.00 C ATOM 334 CG ASP A 426 -4.171 -7.382 -12.314 1.00 0.00 C ATOM 335 OD1 ASP A 426 -3.868 -6.934 -13.440 1.00 0.00 O ATOM 336 OD2 ASP A 426 -5.188 -8.075 -12.103 1.00 0.00 O ATOM 0 H ASP A 426 -1.444 -5.848 -12.289 1.00 0.00 H new ATOM 0 HA ASP A 426 -3.948 -5.038 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -2.294 -7.557 -11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -3.682 -7.488 -10.233 1.00 0.00 H new ATOM 341 N HIS A 427 -1.493 -5.443 -9.094 1.00 0.00 N ATOM 342 CA HIS A 427 -1.084 -5.186 -7.718 1.00 0.00 C ATOM 343 C HIS A 427 -1.453 -3.767 -7.298 1.00 0.00 C ATOM 344 O HIS A 427 -2.113 -3.562 -6.278 1.00 0.00 O ATOM 345 CB HIS A 427 0.422 -5.401 -7.564 1.00 0.00 C ATOM 346 CG HIS A 427 0.824 -6.844 -7.553 1.00 0.00 C ATOM 347 ND1 HIS A 427 2.124 -7.265 -7.736 1.00 0.00 N ATOM 348 CD2 HIS A 427 0.087 -7.966 -7.379 1.00 0.00 C ATOM 349 CE1 HIS A 427 2.170 -8.584 -7.677 1.00 0.00 C ATOM 350 NE2 HIS A 427 0.947 -9.034 -7.460 1.00 0.00 N ATOM 0 H HIS A 427 -0.742 -5.768 -9.703 1.00 0.00 H new ATOM 0 HA HIS A 427 -1.612 -5.886 -7.070 1.00 0.00 H new ATOM 0 HB2 HIS A 427 0.938 -4.895 -8.380 1.00 0.00 H new ATOM 0 HB3 HIS A 427 0.754 -4.933 -6.638 1.00 0.00 H new ATOM 0 HD2 HIS A 427 -0.978 -8.013 -7.208 1.00 0.00 H new ATOM 0 HE1 HIS A 427 3.056 -9.191 -7.787 1.00 0.00 H new ATOM 0 HE2 HIS A 427 0.684 -10.015 -7.368 1.00 0.00 H new ATOM 358 N LEU A 428 -1.022 -2.790 -8.088 1.00 0.00 N ATOM 359 CA LEU A 428 -1.306 -1.389 -7.797 1.00 0.00 C ATOM 360 C LEU A 428 -2.809 -1.131 -7.778 1.00 0.00 C ATOM 361 O LEU A 428 -3.321 -0.449 -6.891 1.00 0.00 O ATOM 362 CB LEU A 428 -0.635 -0.486 -8.833 1.00 0.00 C ATOM 363 CG LEU A 428 -1.237 0.910 -8.997 1.00 0.00 C ATOM 364 CD1 LEU A 428 -1.121 1.697 -7.700 1.00 0.00 C ATOM 365 CD2 LEU A 428 -0.556 1.654 -10.136 1.00 0.00 C ATOM 0 H LEU A 428 -0.475 -2.942 -8.935 1.00 0.00 H new ATOM 0 HA LEU A 428 -0.904 -1.160 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.416 -0.377 -8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.667 -0.989 -9.799 1.00 0.00 H new ATOM 0 HG LEU A 428 -2.294 0.802 -9.240 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.555 2.688 -7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -1.655 1.173 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 428 -0.070 1.795 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 428 -0.997 2.645 -10.238 1.00 0.00 H new ATOM 0 HD22 LEU A 428 0.508 1.751 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 428 -0.691 1.100 -11.065 1.00 0.00 H new ATOM 377 N ASN A 429 -3.512 -1.683 -8.762 1.00 0.00 N ATOM 378 CA ASN A 429 -4.957 -1.515 -8.857 1.00 0.00 C ATOM 379 C ASN A 429 -5.631 -1.835 -7.527 1.00 0.00 C ATOM 380 O ASN A 429 -6.367 -1.016 -6.978 1.00 0.00 O ATOM 381 CB ASN A 429 -5.525 -2.412 -9.959 1.00 0.00 C ATOM 382 CG ASN A 429 -4.867 -2.164 -11.302 1.00 0.00 C ATOM 383 OD1 ASN A 429 -4.592 -3.100 -12.053 1.00 0.00 O ATOM 384 ND2 ASN A 429 -4.612 -0.898 -11.612 1.00 0.00 N ATOM 0 H ASN A 429 -3.104 -2.251 -9.505 1.00 0.00 H new ATOM 0 HA ASN A 429 -5.161 -0.473 -9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 429 -5.390 -3.457 -9.679 1.00 0.00 H new ATOM 0 HB3 ASN A 429 -6.598 -2.241 -10.046 1.00 0.00 H new ATOM 0 HD21 ASN A 429 -4.171 -0.670 -12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 429 -4.857 -0.154 -10.959 1.00 0.00 H new ATOM 391 N GLY A 430 -5.373 -3.034 -7.012 1.00 0.00 N ATOM 392 CA GLY A 430 -5.962 -3.442 -5.750 1.00 0.00 C ATOM 393 C GLY A 430 -5.825 -2.380 -4.677 1.00 0.00 C ATOM 394 O GLY A 430 -6.755 -2.145 -3.904 1.00 0.00 O ATOM 0 H GLY A 430 -4.767 -3.730 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -7.018 -3.668 -5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -5.485 -4.361 -5.410 1.00 0.00 H new ATOM 398 N HIS A 431 -4.662 -1.739 -4.626 1.00 0.00 N ATOM 399 CA HIS A 431 -4.407 -0.697 -3.637 1.00 0.00 C ATOM 400 C HIS A 431 -5.321 0.503 -3.864 1.00 0.00 C ATOM 401 O HIS A 431 -5.848 1.082 -2.913 1.00 0.00 O ATOM 402 CB HIS A 431 -2.944 -0.256 -3.697 1.00 0.00 C ATOM 403 CG HIS A 431 -2.724 1.152 -3.238 1.00 0.00 C ATOM 404 ND1 HIS A 431 -2.546 1.494 -1.914 1.00 0.00 N ATOM 405 CD2 HIS A 431 -2.651 2.310 -3.936 1.00 0.00 C ATOM 406 CE1 HIS A 431 -2.376 2.800 -1.817 1.00 0.00 C ATOM 407 NE2 HIS A 431 -2.434 3.319 -3.030 1.00 0.00 N ATOM 0 H HIS A 431 -3.882 -1.922 -5.257 1.00 0.00 H new ATOM 0 HA HIS A 431 -4.615 -1.109 -2.649 1.00 0.00 H new ATOM 0 HB2 HIS A 431 -2.345 -0.928 -3.082 1.00 0.00 H new ATOM 0 HB3 HIS A 431 -2.585 -0.356 -4.721 1.00 0.00 H new ATOM 0 HD1 HIS A 431 -2.546 0.840 -1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 431 -2.746 2.420 -5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 431 -2.217 3.350 -0.901 1.00 0.00 H new ATOM 415 N ILE A 432 -5.505 0.871 -5.127 1.00 0.00 N ATOM 416 CA ILE A 432 -6.356 2.001 -5.477 1.00 0.00 C ATOM 417 C ILE A 432 -7.831 1.653 -5.303 1.00 0.00 C ATOM 418 O ILE A 432 -8.683 2.538 -5.217 1.00 0.00 O ATOM 419 CB ILE A 432 -6.116 2.458 -6.928 1.00 0.00 C ATOM 420 CG1 ILE A 432 -4.616 2.545 -7.217 1.00 0.00 C ATOM 421 CG2 ILE A 432 -6.788 3.800 -7.179 1.00 0.00 C ATOM 422 CD1 ILE A 432 -4.297 3.028 -8.615 1.00 0.00 C ATOM 0 H ILE A 432 -5.076 0.403 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 432 -6.095 2.815 -4.800 1.00 0.00 H new ATOM 0 HB ILE A 432 -6.555 1.722 -7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -4.153 3.217 -6.495 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -4.168 1.562 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -6.609 4.109 -8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -7.861 3.707 -7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -6.376 4.546 -6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 432 -3.216 3.065 -8.749 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -4.730 2.343 -9.344 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -4.715 4.024 -8.760 1.00 0.00 H new ATOM 434 N LYS A 433 -8.125 0.359 -5.250 1.00 0.00 N ATOM 435 CA LYS A 433 -9.497 -0.108 -5.082 1.00 0.00 C ATOM 436 C LYS A 433 -9.704 -0.699 -3.691 1.00 0.00 C ATOM 437 O LYS A 433 -10.792 -1.172 -3.365 1.00 0.00 O ATOM 438 CB LYS A 433 -9.836 -1.152 -6.148 1.00 0.00 C ATOM 439 CG LYS A 433 -11.129 -1.901 -5.876 1.00 0.00 C ATOM 440 CD LYS A 433 -11.575 -2.702 -7.088 1.00 0.00 C ATOM 441 CE LYS A 433 -13.045 -3.081 -6.995 1.00 0.00 C ATOM 442 NZ LYS A 433 -13.531 -3.726 -8.246 1.00 0.00 N ATOM 0 H LYS A 433 -7.432 -0.386 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 433 -10.163 0.748 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -9.909 -0.659 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -9.018 -1.869 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -10.991 -2.570 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -11.910 -1.192 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -11.405 -2.119 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.970 -3.605 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -13.193 -3.760 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -13.638 -2.189 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -14.537 -3.969 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -13.414 -3.069 -9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.982 -4.591 -8.426 1.00 0.00 H new ATOM 456 N GLN A 434 -8.654 -0.668 -2.877 1.00 0.00 N ATOM 457 CA GLN A 434 -8.723 -1.201 -1.522 1.00 0.00 C ATOM 458 C GLN A 434 -8.419 -0.115 -0.494 1.00 0.00 C ATOM 459 O GLN A 434 -8.886 -0.175 0.643 1.00 0.00 O ATOM 460 CB GLN A 434 -7.742 -2.363 -1.358 1.00 0.00 C ATOM 461 CG GLN A 434 -7.747 -2.971 0.035 1.00 0.00 C ATOM 462 CD GLN A 434 -9.089 -3.570 0.406 1.00 0.00 C ATOM 463 OE1 GLN A 434 -10.080 -2.856 0.558 1.00 0.00 O ATOM 464 NE2 GLN A 434 -9.129 -4.889 0.554 1.00 0.00 N ATOM 0 H GLN A 434 -7.746 -0.280 -3.132 1.00 0.00 H new ATOM 0 HA GLN A 434 -9.737 -1.564 -1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -7.985 -3.138 -2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -6.736 -2.014 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -6.980 -3.744 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -7.482 -2.204 0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -8.284 -5.443 0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -10.005 -5.348 0.803 1.00 0.00 H new ATOM 473 N VAL A 435 -7.634 0.877 -0.903 1.00 0.00 N ATOM 474 CA VAL A 435 -7.269 1.976 -0.018 1.00 0.00 C ATOM 475 C VAL A 435 -7.886 3.289 -0.488 1.00 0.00 C ATOM 476 O VAL A 435 -8.377 4.081 0.317 1.00 0.00 O ATOM 477 CB VAL A 435 -5.740 2.143 0.069 1.00 0.00 C ATOM 478 CG1 VAL A 435 -5.374 3.171 1.128 1.00 0.00 C ATOM 479 CG2 VAL A 435 -5.075 0.806 0.359 1.00 0.00 C ATOM 0 H VAL A 435 -7.239 0.942 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 435 -7.657 1.728 0.970 1.00 0.00 H new ATOM 0 HB VAL A 435 -5.376 2.504 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -4.290 3.275 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -5.820 4.132 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -5.749 2.844 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -3.995 0.942 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -5.443 0.415 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.310 0.102 -0.440 1.00 0.00 H new ATOM 489 N HIS A 436 -7.859 3.513 -1.798 1.00 0.00 N ATOM 490 CA HIS A 436 -8.418 4.730 -2.377 1.00 0.00 C ATOM 491 C HIS A 436 -9.893 4.542 -2.718 1.00 0.00 C ATOM 492 O HIS A 436 -10.647 5.511 -2.818 1.00 0.00 O ATOM 493 CB HIS A 436 -7.639 5.126 -3.632 1.00 0.00 C ATOM 494 CG HIS A 436 -6.257 5.626 -3.346 1.00 0.00 C ATOM 495 ND1 HIS A 436 -6.002 6.708 -2.530 1.00 0.00 N ATOM 496 CD2 HIS A 436 -5.050 5.185 -3.772 1.00 0.00 C ATOM 497 CE1 HIS A 436 -4.698 6.911 -2.468 1.00 0.00 C ATOM 498 NE2 HIS A 436 -4.098 6.000 -3.212 1.00 0.00 N ATOM 0 H HIS A 436 -7.456 2.868 -2.478 1.00 0.00 H new ATOM 0 HA HIS A 436 -8.333 5.527 -1.638 1.00 0.00 H new ATOM 0 HB2 HIS A 436 -7.574 4.264 -4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 436 -8.193 5.899 -4.165 1.00 0.00 H new ATOM 0 HD1 HIS A 436 -6.709 7.264 -2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 436 -4.870 4.348 -4.430 1.00 0.00 H new ATOM 0 HE1 HIS A 436 -4.206 7.690 -1.904 1.00 0.00 H new ATOM 506 N THR A 437 -10.300 3.289 -2.895 1.00 0.00 N ATOM 507 CA THR A 437 -11.684 2.974 -3.226 1.00 0.00 C ATOM 508 C THR A 437 -12.651 3.842 -2.429 1.00 0.00 C ATOM 509 O THR A 437 -12.545 3.944 -1.207 1.00 0.00 O ATOM 510 CB THR A 437 -12.003 1.491 -2.958 1.00 0.00 C ATOM 511 OG1 THR A 437 -13.413 1.266 -3.063 1.00 0.00 O ATOM 512 CG2 THR A 437 -11.519 1.075 -1.577 1.00 0.00 C ATOM 0 H THR A 437 -9.690 2.475 -2.815 1.00 0.00 H new ATOM 0 HA THR A 437 -11.808 3.178 -4.289 1.00 0.00 H new ATOM 0 HB THR A 437 -11.484 0.890 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 437 -13.607 0.321 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 437 -11.755 0.024 -1.410 1.00 0.00 H new ATOM 0 HG22 THR A 437 -10.441 1.220 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 437 -12.014 1.683 -0.820 1.00 0.00 H new ATOM 520 N SER A 438 -13.594 4.466 -3.129 1.00 0.00 N ATOM 521 CA SER A 438 -14.578 5.328 -2.486 1.00 0.00 C ATOM 522 C SER A 438 -15.744 5.616 -3.427 1.00 0.00 C ATOM 523 O SER A 438 -15.723 5.230 -4.595 1.00 0.00 O ATOM 524 CB SER A 438 -13.927 6.640 -2.045 1.00 0.00 C ATOM 525 OG SER A 438 -13.116 6.448 -0.900 1.00 0.00 O ATOM 0 H SER A 438 -13.697 4.390 -4.141 1.00 0.00 H new ATOM 0 HA SER A 438 -14.962 4.809 -1.608 1.00 0.00 H new ATOM 0 HB2 SER A 438 -13.323 7.041 -2.859 1.00 0.00 H new ATOM 0 HB3 SER A 438 -14.699 7.378 -1.828 1.00 0.00 H new ATOM 0 HG SER A 438 -13.099 5.496 -0.667 1.00 0.00 H new ATOM 531 N GLU A 439 -16.761 6.297 -2.907 1.00 0.00 N ATOM 532 CA GLU A 439 -17.937 6.637 -3.700 1.00 0.00 C ATOM 533 C GLU A 439 -18.007 8.140 -3.952 1.00 0.00 C ATOM 534 O GLU A 439 -17.693 8.943 -3.074 1.00 0.00 O ATOM 535 CB GLU A 439 -19.209 6.167 -2.993 1.00 0.00 C ATOM 536 CG GLU A 439 -19.437 6.831 -1.645 1.00 0.00 C ATOM 537 CD GLU A 439 -20.388 6.047 -0.762 1.00 0.00 C ATOM 538 OE1 GLU A 439 -20.096 4.866 -0.477 1.00 0.00 O ATOM 539 OE2 GLU A 439 -21.424 6.613 -0.355 1.00 0.00 O ATOM 0 H GLU A 439 -16.794 6.624 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 439 -17.855 6.129 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -20.066 6.366 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -19.159 5.087 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -18.481 6.943 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -19.835 7.834 -1.801 1.00 0.00 H new ATOM 546 N ARG A 440 -18.422 8.513 -5.159 1.00 0.00 N ATOM 547 CA ARG A 440 -18.533 9.919 -5.528 1.00 0.00 C ATOM 548 C ARG A 440 -19.829 10.181 -6.290 1.00 0.00 C ATOM 549 O ARG A 440 -20.294 9.354 -7.074 1.00 0.00 O ATOM 550 CB ARG A 440 -17.334 10.340 -6.380 1.00 0.00 C ATOM 551 CG ARG A 440 -15.994 10.123 -5.696 1.00 0.00 C ATOM 552 CD ARG A 440 -15.453 8.727 -5.962 1.00 0.00 C ATOM 553 NE ARG A 440 -14.764 8.643 -7.247 1.00 0.00 N ATOM 554 CZ ARG A 440 -13.547 9.131 -7.462 1.00 0.00 C ATOM 555 NH1 ARG A 440 -12.889 9.735 -6.482 1.00 0.00 N ATOM 556 NH2 ARG A 440 -12.986 9.016 -8.659 1.00 0.00 N ATOM 0 H ARG A 440 -18.687 7.861 -5.897 1.00 0.00 H new ATOM 0 HA ARG A 440 -18.545 10.509 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -17.350 9.781 -7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -17.434 11.394 -6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -15.279 10.865 -6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -16.104 10.273 -4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -14.766 8.446 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -16.274 8.010 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 440 -15.243 8.185 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -13.317 9.826 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -11.955 10.109 -6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -13.489 8.552 -9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -12.052 9.391 -8.823 1.00 0.00 H new ATOM 570 N PRO A 441 -20.426 11.358 -6.054 1.00 0.00 N ATOM 571 CA PRO A 441 -21.676 11.756 -6.708 1.00 0.00 C ATOM 572 C PRO A 441 -21.489 12.038 -8.195 1.00 0.00 C ATOM 573 O PRO A 441 -20.417 12.465 -8.626 1.00 0.00 O ATOM 574 CB PRO A 441 -22.072 13.036 -5.968 1.00 0.00 C ATOM 575 CG PRO A 441 -20.789 13.584 -5.445 1.00 0.00 C ATOM 576 CD PRO A 441 -19.927 12.392 -5.132 1.00 0.00 C ATOM 0 HA PRO A 441 -22.428 10.969 -6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 441 -22.562 13.744 -6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 441 -22.771 12.825 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 441 -20.311 14.229 -6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 441 -20.957 14.189 -4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 441 -18.871 12.604 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 441 -20.029 12.085 -4.091 1.00 0.00 H new ATOM 584 N HIS A 442 -22.537 11.796 -8.976 1.00 0.00 N ATOM 585 CA HIS A 442 -22.488 12.025 -10.415 1.00 0.00 C ATOM 586 C HIS A 442 -23.636 12.924 -10.862 1.00 0.00 C ATOM 587 O HIS A 442 -24.566 13.188 -10.099 1.00 0.00 O ATOM 588 CB HIS A 442 -22.544 10.695 -11.167 1.00 0.00 C ATOM 589 CG HIS A 442 -23.709 9.837 -10.779 1.00 0.00 C ATOM 590 ND1 HIS A 442 -24.955 9.953 -11.357 1.00 0.00 N ATOM 591 CD2 HIS A 442 -23.811 8.842 -9.866 1.00 0.00 C ATOM 592 CE1 HIS A 442 -25.774 9.070 -10.815 1.00 0.00 C ATOM 593 NE2 HIS A 442 -25.104 8.383 -9.907 1.00 0.00 N ATOM 0 H HIS A 442 -23.431 11.441 -8.636 1.00 0.00 H new ATOM 0 HA HIS A 442 -21.547 12.525 -10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -22.590 10.894 -12.238 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -21.621 10.145 -10.985 1.00 0.00 H new ATOM 0 HD1 HIS A 442 -25.205 10.617 -12.089 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -23.022 8.477 -9.225 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -26.814 8.933 -11.071 1.00 0.00 H new ATOM 601 N LYS A 443 -23.565 13.394 -12.103 1.00 0.00 N ATOM 602 CA LYS A 443 -24.598 14.263 -12.653 1.00 0.00 C ATOM 603 C LYS A 443 -25.967 13.593 -12.586 1.00 0.00 C ATOM 604 O LYS A 443 -26.078 12.426 -12.208 1.00 0.00 O ATOM 605 CB LYS A 443 -24.268 14.629 -14.102 1.00 0.00 C ATOM 606 CG LYS A 443 -23.336 15.821 -14.232 1.00 0.00 C ATOM 607 CD LYS A 443 -24.086 17.134 -14.081 1.00 0.00 C ATOM 608 CE LYS A 443 -23.132 18.303 -13.894 1.00 0.00 C ATOM 609 NZ LYS A 443 -22.685 18.868 -15.198 1.00 0.00 N ATOM 0 H LYS A 443 -22.802 13.187 -12.747 1.00 0.00 H new ATOM 0 HA LYS A 443 -24.629 15.172 -12.053 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -23.813 13.768 -14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -25.195 14.844 -14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -22.555 15.758 -13.474 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -22.841 15.793 -15.203 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -24.704 17.305 -14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -24.760 17.073 -13.227 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -23.622 19.082 -13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -22.263 17.975 -13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -22.473 19.880 -15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -21.830 18.369 -15.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -23.439 18.750 -15.904 1.00 0.00 H new ATOM 623 N CYS A 444 -27.003 14.336 -12.957 1.00 0.00 N ATOM 624 CA CYS A 444 -28.365 13.812 -12.939 1.00 0.00 C ATOM 625 C CYS A 444 -28.641 12.973 -14.183 1.00 0.00 C ATOM 626 O CYS A 444 -29.709 13.073 -14.785 1.00 0.00 O ATOM 627 CB CYS A 444 -29.373 14.958 -12.848 1.00 0.00 C ATOM 628 SG CYS A 444 -29.562 15.646 -11.187 1.00 0.00 S ATOM 0 H CYS A 444 -26.927 15.303 -13.274 1.00 0.00 H new ATOM 0 HA CYS A 444 -28.471 13.174 -12.062 1.00 0.00 H new ATOM 0 HB2 CYS A 444 -29.064 15.754 -13.526 1.00 0.00 H new ATOM 0 HB3 CYS A 444 -30.343 14.602 -13.195 1.00 0.00 H new ATOM 0 HG CYS A 444 -30.434 16.610 -11.213 1.00 0.00 H new ATOM 634 N GLN A 445 -27.670 12.148 -14.561 1.00 0.00 N ATOM 635 CA GLN A 445 -27.808 11.293 -15.734 1.00 0.00 C ATOM 636 C GLN A 445 -28.019 12.128 -16.993 1.00 0.00 C ATOM 637 O GLN A 445 -28.767 11.738 -17.890 1.00 0.00 O ATOM 638 CB GLN A 445 -28.975 10.322 -15.549 1.00 0.00 C ATOM 639 CG GLN A 445 -28.920 9.545 -14.244 1.00 0.00 C ATOM 640 CD GLN A 445 -29.629 10.258 -13.110 1.00 0.00 C ATOM 641 OE1 GLN A 445 -30.843 10.457 -13.148 1.00 0.00 O ATOM 642 NE2 GLN A 445 -28.872 10.648 -12.090 1.00 0.00 N ATOM 0 H GLN A 445 -26.780 12.054 -14.072 1.00 0.00 H new ATOM 0 HA GLN A 445 -26.886 10.723 -15.848 1.00 0.00 H new ATOM 0 HB2 GLN A 445 -29.911 10.880 -15.591 1.00 0.00 H new ATOM 0 HB3 GLN A 445 -28.986 9.618 -16.381 1.00 0.00 H new ATOM 0 HG2 GLN A 445 -29.372 8.564 -14.390 1.00 0.00 H new ATOM 0 HG3 GLN A 445 -27.879 9.378 -13.969 1.00 0.00 H new ATOM 0 HE21 GLN A 445 -27.869 10.463 -12.099 1.00 0.00 H new ATOM 0 HE22 GLN A 445 -29.294 11.133 -11.298 1.00 0.00 H new ATOM 651 N VAL A 446 -27.356 13.278 -17.053 1.00 0.00 N ATOM 652 CA VAL A 446 -27.471 14.168 -18.202 1.00 0.00 C ATOM 653 C VAL A 446 -26.494 15.333 -18.095 1.00 0.00 C ATOM 654 O VAL A 446 -26.152 15.770 -16.996 1.00 0.00 O ATOM 655 CB VAL A 446 -28.901 14.722 -18.343 1.00 0.00 C ATOM 656 CG1 VAL A 446 -29.338 15.406 -17.057 1.00 0.00 C ATOM 657 CG2 VAL A 446 -28.987 15.679 -19.522 1.00 0.00 C ATOM 0 H VAL A 446 -26.733 13.615 -16.319 1.00 0.00 H new ATOM 0 HA VAL A 446 -27.231 13.576 -19.085 1.00 0.00 H new ATOM 0 HB VAL A 446 -29.578 13.889 -18.531 1.00 0.00 H new ATOM 0 HG11 VAL A 446 -30.351 15.791 -17.176 1.00 0.00 H new ATOM 0 HG12 VAL A 446 -29.317 14.688 -16.237 1.00 0.00 H new ATOM 0 HG13 VAL A 446 -28.660 16.230 -16.835 1.00 0.00 H new ATOM 0 HG21 VAL A 446 -30.004 16.061 -19.607 1.00 0.00 H new ATOM 0 HG22 VAL A 446 -28.299 16.510 -19.367 1.00 0.00 H new ATOM 0 HG23 VAL A 446 -28.719 15.153 -20.438 1.00 0.00 H new ATOM 667 N TRP A 447 -26.050 15.833 -19.242 1.00 0.00 N ATOM 668 CA TRP A 447 -25.112 16.950 -19.277 1.00 0.00 C ATOM 669 C TRP A 447 -25.679 18.160 -18.541 1.00 0.00 C ATOM 670 O TRP A 447 -25.108 18.621 -17.553 1.00 0.00 O ATOM 671 CB TRP A 447 -24.786 17.324 -20.724 1.00 0.00 C ATOM 672 CG TRP A 447 -24.319 18.740 -20.880 1.00 0.00 C ATOM 673 CD1 TRP A 447 -24.963 19.747 -21.541 1.00 0.00 C ATOM 674 CD2 TRP A 447 -23.107 19.304 -20.368 1.00 0.00 C ATOM 675 NE1 TRP A 447 -24.224 20.903 -21.470 1.00 0.00 N ATOM 676 CE2 TRP A 447 -23.082 20.658 -20.755 1.00 0.00 C ATOM 677 CE3 TRP A 447 -22.042 18.798 -19.618 1.00 0.00 C ATOM 678 CZ2 TRP A 447 -22.032 21.509 -20.418 1.00 0.00 C ATOM 679 CZ3 TRP A 447 -21.001 19.643 -19.285 1.00 0.00 C ATOM 680 CH2 TRP A 447 -21.003 20.986 -19.683 1.00 0.00 C ATOM 0 H TRP A 447 -26.324 15.483 -20.160 1.00 0.00 H new ATOM 0 HA TRP A 447 -24.196 16.639 -18.775 1.00 0.00 H new ATOM 0 HB2 TRP A 447 -24.016 16.651 -21.101 1.00 0.00 H new ATOM 0 HB3 TRP A 447 -25.672 17.171 -21.340 1.00 0.00 H new ATOM 0 HD1 TRP A 447 -25.913 19.649 -22.045 1.00 0.00 H new ATOM 0 HE1 TRP A 447 -24.484 21.799 -21.883 1.00 0.00 H new ATOM 0 HE3 TRP A 447 -22.033 17.765 -19.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 447 -22.030 22.544 -20.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 447 -20.172 19.262 -18.708 1.00 0.00 H new ATOM 0 HH2 TRP A 447 -20.176 21.622 -19.404 1.00 0.00 H new ATOM 691 N VAL A 448 -26.805 18.670 -19.029 1.00 0.00 N ATOM 692 CA VAL A 448 -27.449 19.825 -18.417 1.00 0.00 C ATOM 693 C VAL A 448 -28.881 19.502 -18.005 1.00 0.00 C ATOM 694 O VAL A 448 -29.645 18.925 -18.778 1.00 0.00 O ATOM 695 CB VAL A 448 -27.461 21.033 -19.372 1.00 0.00 C ATOM 696 CG1 VAL A 448 -28.188 20.686 -20.663 1.00 0.00 C ATOM 697 CG2 VAL A 448 -28.101 22.238 -18.699 1.00 0.00 C ATOM 0 H VAL A 448 -27.290 18.301 -19.847 1.00 0.00 H new ATOM 0 HA VAL A 448 -26.868 20.078 -17.531 1.00 0.00 H new ATOM 0 HB VAL A 448 -26.431 21.288 -19.620 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -28.186 21.552 -21.325 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -27.683 19.853 -21.153 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -29.216 20.404 -20.437 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -28.101 23.082 -19.388 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -29.127 21.997 -18.421 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -27.534 22.499 -17.805 1.00 0.00 H new ATOM 707 N SER A 449 -29.238 19.879 -16.781 1.00 0.00 N ATOM 708 CA SER A 449 -30.578 19.627 -16.264 1.00 0.00 C ATOM 709 C SER A 449 -31.348 20.932 -16.090 1.00 0.00 C ATOM 710 O SER A 449 -32.548 20.998 -16.351 1.00 0.00 O ATOM 711 CB SER A 449 -30.501 18.885 -14.929 1.00 0.00 C ATOM 712 OG SER A 449 -31.790 18.714 -14.365 1.00 0.00 O ATOM 0 H SER A 449 -28.618 20.360 -16.129 1.00 0.00 H new ATOM 0 HA SER A 449 -31.108 19.007 -16.986 1.00 0.00 H new ATOM 0 HB2 SER A 449 -30.033 17.912 -15.077 1.00 0.00 H new ATOM 0 HB3 SER A 449 -29.869 19.441 -14.237 1.00 0.00 H new ATOM 0 HG SER A 449 -31.713 18.236 -13.513 1.00 0.00 H new ATOM 718 N GLY A 450 -30.647 21.971 -15.645 1.00 0.00 N ATOM 719 CA GLY A 450 -31.279 23.261 -15.443 1.00 0.00 C ATOM 720 C GLY A 450 -31.857 23.831 -16.723 1.00 0.00 C ATOM 721 O GLY A 450 -32.136 23.107 -17.679 1.00 0.00 O ATOM 0 H GLY A 450 -29.652 21.942 -15.421 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -32.073 23.161 -14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -30.549 23.960 -15.035 1.00 0.00 H new ATOM 725 N PRO A 451 -32.048 25.158 -16.751 1.00 0.00 N ATOM 726 CA PRO A 451 -32.599 25.854 -17.918 1.00 0.00 C ATOM 727 C PRO A 451 -31.631 25.869 -19.095 1.00 0.00 C ATOM 728 O PRO A 451 -32.040 25.743 -20.250 1.00 0.00 O ATOM 729 CB PRO A 451 -32.837 27.276 -17.403 1.00 0.00 C ATOM 730 CG PRO A 451 -31.870 27.439 -16.282 1.00 0.00 C ATOM 731 CD PRO A 451 -31.738 26.082 -15.647 1.00 0.00 C ATOM 0 HA PRO A 451 -33.498 25.367 -18.296 1.00 0.00 H new ATOM 0 HB2 PRO A 451 -32.664 28.015 -18.186 1.00 0.00 H new ATOM 0 HB3 PRO A 451 -33.864 27.407 -17.062 1.00 0.00 H new ATOM 0 HG2 PRO A 451 -30.906 27.794 -16.647 1.00 0.00 H new ATOM 0 HG3 PRO A 451 -32.229 28.174 -15.561 1.00 0.00 H new ATOM 0 HD2 PRO A 451 -30.734 25.918 -15.255 1.00 0.00 H new ATOM 0 HD3 PRO A 451 -32.430 25.959 -14.814 1.00 0.00 H new ATOM 739 N SER A 452 -30.345 26.023 -18.797 1.00 0.00 N ATOM 740 CA SER A 452 -29.318 26.057 -19.832 1.00 0.00 C ATOM 741 C SER A 452 -27.924 26.041 -19.214 1.00 0.00 C ATOM 742 O SER A 452 -27.764 26.230 -18.008 1.00 0.00 O ATOM 743 CB SER A 452 -29.487 27.302 -20.705 1.00 0.00 C ATOM 744 OG SER A 452 -30.493 27.106 -21.684 1.00 0.00 O ATOM 0 H SER A 452 -29.989 26.126 -17.847 1.00 0.00 H new ATOM 0 HA SER A 452 -29.431 25.168 -20.452 1.00 0.00 H new ATOM 0 HB2 SER A 452 -29.746 28.156 -20.079 1.00 0.00 H new ATOM 0 HB3 SER A 452 -28.542 27.539 -21.193 1.00 0.00 H new ATOM 0 HG SER A 452 -31.045 26.335 -21.436 1.00 0.00 H new ATOM 750 N SER A 453 -26.916 25.813 -20.050 1.00 0.00 N ATOM 751 CA SER A 453 -25.534 25.767 -19.587 1.00 0.00 C ATOM 752 C SER A 453 -24.571 25.635 -20.763 1.00 0.00 C ATOM 753 O SER A 453 -24.966 25.255 -21.864 1.00 0.00 O ATOM 754 CB SER A 453 -25.336 24.599 -18.618 1.00 0.00 C ATOM 755 OG SER A 453 -24.006 24.558 -18.133 1.00 0.00 O ATOM 0 H SER A 453 -27.031 25.657 -21.052 1.00 0.00 H new ATOM 0 HA SER A 453 -25.320 26.701 -19.067 1.00 0.00 H new ATOM 0 HB2 SER A 453 -26.028 24.695 -17.782 1.00 0.00 H new ATOM 0 HB3 SER A 453 -25.572 23.661 -19.121 1.00 0.00 H new ATOM 0 HG SER A 453 -23.906 23.804 -17.515 1.00 0.00 H new ATOM 761 N GLY A 454 -23.303 25.953 -20.520 1.00 0.00 N ATOM 762 CA GLY A 454 -22.302 25.865 -21.567 1.00 0.00 C ATOM 763 C GLY A 454 -21.281 26.983 -21.490 1.00 0.00 C ATOM 764 O GLY A 454 -21.487 27.973 -20.788 1.00 0.00 O ATOM 0 H GLY A 454 -22.951 26.270 -19.617 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -21.791 24.905 -21.496 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -22.794 25.893 -22.539 1.00 0.00 H new TER 768 GLY A 454 HETATM 769 ZN ZN A 201 -2.445 5.196 -3.755 1.00 0.00 ZN