USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=16 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 437 THR OG1 : rot 180:sc=-0.00275 USER MOD Set 1.2: A 438 SER OG : rot 180:sc= -0.147 USER MOD Set 2.1: A 411 LYS NZ :NH3+ -142:sc= 0.778 (180deg=0) USER MOD Set 2.2: A 423 SER OG : rot -60:sc=-0.00361 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 50:sc= 0.773 USER MOD Single : A 406 SER OG : rot -55:sc= 0.0305 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= 0.0273 X(o=0.027,f=0) USER MOD Single : A 417 SER OG : rot -135:sc= 0.0137 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-3.9!) USER MOD Single : A 429 ASN : amide:sc= -3.8! C(o=-3.8!,f=-6.1!) USER MOD Single : A 433 LYS NZ :NH3+ 155:sc= -0.93 (180deg=-2.03!) USER MOD Single : A 434 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.25) USER MOD Single : A 442 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) 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= -0.827 X(o=-0.83,f=-0.54) 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 46:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 401 15.855 1.259 8.304 1.00 0.00 N ATOM 2 CA GLY A 401 15.024 1.692 7.197 1.00 0.00 C ATOM 3 C GLY A 401 14.251 0.549 6.571 1.00 0.00 C ATOM 4 O GLY A 401 14.839 -0.359 5.983 1.00 0.00 O ATOM 0 HA2 GLY A 401 14.324 2.451 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 401 15.650 2.161 6.438 1.00 0.00 H new ATOM 8 N SER A 402 12.928 0.591 6.698 1.00 0.00 N ATOM 9 CA SER A 402 12.073 -0.453 6.144 1.00 0.00 C ATOM 10 C SER A 402 11.777 -0.188 4.672 1.00 0.00 C ATOM 11 O SER A 402 10.633 -0.294 4.229 1.00 0.00 O ATOM 12 CB SER A 402 10.765 -0.541 6.932 1.00 0.00 C ATOM 13 OG SER A 402 10.913 -1.362 8.078 1.00 0.00 O ATOM 0 H SER A 402 12.425 1.336 7.179 1.00 0.00 H new ATOM 0 HA SER A 402 12.602 -1.403 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 402 10.452 0.458 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 402 9.978 -0.942 6.293 1.00 0.00 H new ATOM 0 HG SER A 402 10.063 -1.400 8.565 1.00 0.00 H new ATOM 19 N SER A 403 12.816 0.157 3.918 1.00 0.00 N ATOM 20 CA SER A 403 12.667 0.441 2.495 1.00 0.00 C ATOM 21 C SER A 403 13.773 -0.232 1.688 1.00 0.00 C ATOM 22 O SER A 403 14.880 -0.439 2.183 1.00 0.00 O ATOM 23 CB SER A 403 12.689 1.951 2.250 1.00 0.00 C ATOM 24 OG SER A 403 11.388 2.503 2.352 1.00 0.00 O ATOM 0 H SER A 403 13.770 0.247 4.268 1.00 0.00 H new ATOM 0 HA SER A 403 11.707 0.041 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 403 13.349 2.430 2.973 1.00 0.00 H new ATOM 0 HB3 SER A 403 13.098 2.156 1.261 1.00 0.00 H new ATOM 0 HG SER A 403 11.429 3.469 2.193 1.00 0.00 H new ATOM 30 N GLY A 404 13.464 -0.572 0.441 1.00 0.00 N ATOM 31 CA GLY A 404 14.440 -1.219 -0.416 1.00 0.00 C ATOM 32 C GLY A 404 14.586 -0.526 -1.756 1.00 0.00 C ATOM 33 O GLY A 404 15.409 0.375 -1.910 1.00 0.00 O ATOM 0 H GLY A 404 12.554 -0.411 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 404 15.406 -1.236 0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 404 14.146 -2.256 -0.577 1.00 0.00 H new ATOM 37 N SER A 405 13.784 -0.949 -2.729 1.00 0.00 N ATOM 38 CA SER A 405 13.831 -0.366 -4.065 1.00 0.00 C ATOM 39 C SER A 405 13.364 1.086 -4.041 1.00 0.00 C ATOM 40 O SER A 405 12.173 1.369 -4.168 1.00 0.00 O ATOM 41 CB SER A 405 12.962 -1.177 -5.028 1.00 0.00 C ATOM 42 OG SER A 405 11.616 -1.222 -4.587 1.00 0.00 O ATOM 0 H SER A 405 13.095 -1.693 -2.617 1.00 0.00 H new ATOM 0 HA SER A 405 14.865 -0.391 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 405 13.007 -0.735 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 405 13.355 -2.190 -5.111 1.00 0.00 H new ATOM 0 HG SER A 405 11.311 -0.315 -4.375 1.00 0.00 H new ATOM 48 N SER A 406 14.312 2.003 -3.877 1.00 0.00 N ATOM 49 CA SER A 406 13.999 3.427 -3.832 1.00 0.00 C ATOM 50 C SER A 406 14.794 4.191 -4.885 1.00 0.00 C ATOM 51 O SER A 406 15.304 5.280 -4.625 1.00 0.00 O ATOM 52 CB SER A 406 14.296 3.992 -2.442 1.00 0.00 C ATOM 53 OG SER A 406 13.607 5.212 -2.229 1.00 0.00 O ATOM 0 H SER A 406 15.303 1.786 -3.773 1.00 0.00 H new ATOM 0 HA SER A 406 12.937 3.548 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 406 14.003 3.268 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 406 15.369 4.153 -2.333 1.00 0.00 H new ATOM 0 HG SER A 406 13.828 5.842 -2.946 1.00 0.00 H new ATOM 59 N GLY A 407 14.896 3.611 -6.078 1.00 0.00 N ATOM 60 CA GLY A 407 15.630 4.251 -7.154 1.00 0.00 C ATOM 61 C GLY A 407 15.872 3.319 -8.324 1.00 0.00 C ATOM 62 O GLY A 407 14.963 3.049 -9.109 1.00 0.00 O ATOM 0 H GLY A 407 14.483 2.710 -6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 407 15.077 5.125 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 407 16.587 4.609 -6.774 1.00 0.00 H new ATOM 66 N SER A 408 17.102 2.829 -8.444 1.00 0.00 N ATOM 67 CA SER A 408 17.462 1.926 -9.531 1.00 0.00 C ATOM 68 C SER A 408 16.444 0.796 -9.660 1.00 0.00 C ATOM 69 O SER A 408 15.858 0.358 -8.670 1.00 0.00 O ATOM 70 CB SER A 408 18.858 1.346 -9.299 1.00 0.00 C ATOM 71 OG SER A 408 19.161 0.347 -10.258 1.00 0.00 O ATOM 0 H SER A 408 17.866 3.042 -7.802 1.00 0.00 H new ATOM 0 HA SER A 408 17.463 2.497 -10.459 1.00 0.00 H new ATOM 0 HB2 SER A 408 19.600 2.143 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 408 18.917 0.922 -8.297 1.00 0.00 H new ATOM 0 HG SER A 408 20.059 -0.007 -10.089 1.00 0.00 H new ATOM 77 N VAL A 409 16.240 0.329 -10.887 1.00 0.00 N ATOM 78 CA VAL A 409 15.294 -0.750 -11.147 1.00 0.00 C ATOM 79 C VAL A 409 14.096 -0.668 -10.208 1.00 0.00 C ATOM 80 O VAL A 409 13.599 -1.686 -9.728 1.00 0.00 O ATOM 81 CB VAL A 409 15.961 -2.130 -10.990 1.00 0.00 C ATOM 82 CG1 VAL A 409 16.328 -2.384 -9.537 1.00 0.00 C ATOM 83 CG2 VAL A 409 15.047 -3.225 -11.518 1.00 0.00 C ATOM 0 H VAL A 409 16.717 0.681 -11.717 1.00 0.00 H new ATOM 0 HA VAL A 409 14.954 -0.633 -12.176 1.00 0.00 H new ATOM 0 HB VAL A 409 16.879 -2.140 -11.577 1.00 0.00 H new ATOM 0 HG11 VAL A 409 16.798 -3.363 -9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 409 17.022 -1.616 -9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 409 15.427 -2.355 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 409 15.533 -4.193 -11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 409 14.111 -3.218 -10.960 1.00 0.00 H new ATOM 0 HG23 VAL A 409 14.841 -3.049 -12.574 1.00 0.00 H new ATOM 93 N GLY A 410 13.634 0.552 -9.951 1.00 0.00 N ATOM 94 CA GLY A 410 12.497 0.745 -9.071 1.00 0.00 C ATOM 95 C GLY A 410 11.181 0.397 -9.739 1.00 0.00 C ATOM 96 O GLY A 410 11.156 -0.022 -10.897 1.00 0.00 O ATOM 0 H GLY A 410 14.027 1.410 -10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 410 12.623 0.130 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 410 12.470 1.783 -8.740 1.00 0.00 H new ATOM 100 N LYS A 411 10.085 0.567 -9.008 1.00 0.00 N ATOM 101 CA LYS A 411 8.759 0.268 -9.535 1.00 0.00 C ATOM 102 C LYS A 411 8.220 1.439 -10.351 1.00 0.00 C ATOM 103 O LYS A 411 8.032 2.545 -9.844 1.00 0.00 O ATOM 104 CB LYS A 411 7.795 -0.058 -8.393 1.00 0.00 C ATOM 105 CG LYS A 411 7.921 -1.482 -7.878 1.00 0.00 C ATOM 106 CD LYS A 411 9.114 -1.635 -6.949 1.00 0.00 C ATOM 107 CE LYS A 411 9.668 -3.051 -6.983 1.00 0.00 C ATOM 108 NZ LYS A 411 8.792 -4.007 -6.251 1.00 0.00 N ATOM 0 H LYS A 411 10.089 0.911 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 411 8.843 -0.599 -10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 411 7.973 0.634 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 411 6.773 0.107 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.009 -1.761 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.024 -2.167 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.894 -0.931 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 411 8.818 -1.383 -5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.774 -3.375 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.665 -3.062 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 9.380 -4.698 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 8.203 -3.487 -5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 8.180 -4.505 -6.928 1.00 0.00 H new ATOM 122 N PRO A 412 7.964 1.193 -11.644 1.00 0.00 N ATOM 123 CA PRO A 412 7.441 2.214 -12.556 1.00 0.00 C ATOM 124 C PRO A 412 5.997 2.589 -12.241 1.00 0.00 C ATOM 125 O PRO A 412 5.654 3.769 -12.167 1.00 0.00 O ATOM 126 CB PRO A 412 7.532 1.544 -13.929 1.00 0.00 C ATOM 127 CG PRO A 412 7.481 0.083 -13.642 1.00 0.00 C ATOM 128 CD PRO A 412 8.165 -0.102 -12.316 1.00 0.00 C ATOM 0 HA PRO A 412 7.999 3.148 -12.484 1.00 0.00 H new ATOM 0 HB2 PRO A 412 6.708 1.850 -14.574 1.00 0.00 H new ATOM 0 HB3 PRO A 412 8.455 1.815 -14.441 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.451 -0.271 -13.603 1.00 0.00 H new ATOM 0 HG3 PRO A 412 7.984 -0.486 -14.424 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.725 -0.922 -11.748 1.00 0.00 H new ATOM 0 HD3 PRO A 412 9.224 -0.331 -12.439 1.00 0.00 H new ATOM 136 N TYR A 413 5.156 1.578 -12.055 1.00 0.00 N ATOM 137 CA TYR A 413 3.748 1.801 -11.749 1.00 0.00 C ATOM 138 C TYR A 413 3.589 2.540 -10.424 1.00 0.00 C ATOM 139 O TYR A 413 3.632 1.932 -9.353 1.00 0.00 O ATOM 140 CB TYR A 413 2.998 0.469 -11.697 1.00 0.00 C ATOM 141 CG TYR A 413 2.956 -0.255 -13.023 1.00 0.00 C ATOM 142 CD1 TYR A 413 3.641 0.237 -14.128 1.00 0.00 C ATOM 143 CD2 TYR A 413 2.232 -1.431 -13.172 1.00 0.00 C ATOM 144 CE1 TYR A 413 3.604 -0.421 -15.342 1.00 0.00 C ATOM 145 CE2 TYR A 413 2.191 -2.097 -14.382 1.00 0.00 C ATOM 146 CZ TYR A 413 2.878 -1.587 -15.464 1.00 0.00 C ATOM 147 OH TYR A 413 2.840 -2.246 -16.672 1.00 0.00 O ATOM 0 H TYR A 413 5.425 0.596 -12.111 1.00 0.00 H new ATOM 0 HA TYR A 413 3.324 2.418 -12.541 1.00 0.00 H new ATOM 0 HB2 TYR A 413 3.470 -0.175 -10.956 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.978 0.649 -11.359 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.212 1.149 -14.036 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.692 -1.832 -12.327 1.00 0.00 H new ATOM 0 HE1 TYR A 413 4.141 -0.024 -16.191 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.625 -3.011 -14.480 1.00 0.00 H new ATOM 0 HH TYR A 413 2.286 -3.050 -16.589 1.00 0.00 H new ATOM 157 N ILE A 414 3.405 3.853 -10.504 1.00 0.00 N ATOM 158 CA ILE A 414 3.238 4.675 -9.312 1.00 0.00 C ATOM 159 C ILE A 414 1.797 5.154 -9.173 1.00 0.00 C ATOM 160 O ILE A 414 1.210 5.677 -10.120 1.00 0.00 O ATOM 161 CB ILE A 414 4.173 5.898 -9.336 1.00 0.00 C ATOM 162 CG1 ILE A 414 5.633 5.449 -9.423 1.00 0.00 C ATOM 163 CG2 ILE A 414 3.950 6.760 -8.102 1.00 0.00 C ATOM 164 CD1 ILE A 414 5.986 4.348 -8.448 1.00 0.00 C ATOM 0 H ILE A 414 3.368 4.371 -11.382 1.00 0.00 H new ATOM 0 HA ILE A 414 3.495 4.048 -8.458 1.00 0.00 H new ATOM 0 HB ILE A 414 3.943 6.496 -10.218 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.839 5.105 -10.437 1.00 0.00 H new ATOM 0 HG13 ILE A 414 6.280 6.307 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.618 7.620 -8.134 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.916 7.104 -8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 414 4.156 6.174 -7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 414 7.036 4.080 -8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.812 4.695 -7.429 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.365 3.474 -8.645 1.00 0.00 H new ATOM 176 N CYS A 415 1.232 4.972 -7.984 1.00 0.00 N ATOM 177 CA CYS A 415 -0.141 5.386 -7.718 1.00 0.00 C ATOM 178 C CYS A 415 -0.330 6.870 -8.023 1.00 0.00 C ATOM 179 O CYS A 415 0.372 7.720 -7.477 1.00 0.00 O ATOM 180 CB CYS A 415 -0.507 5.104 -6.259 1.00 0.00 C ATOM 181 SG CYS A 415 -2.291 5.209 -5.907 1.00 0.00 S ATOM 0 H CYS A 415 1.704 4.541 -7.189 1.00 0.00 H new ATOM 0 HA CYS A 415 -0.800 4.812 -8.369 1.00 0.00 H new ATOM 0 HB2 CYS A 415 -0.153 4.108 -5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 415 0.021 5.812 -5.620 1.00 0.00 H new ATOM 186 N GLN A 416 -1.284 7.171 -8.898 1.00 0.00 N ATOM 187 CA GLN A 416 -1.565 8.550 -9.276 1.00 0.00 C ATOM 188 C GLN A 416 -2.541 9.195 -8.297 1.00 0.00 C ATOM 189 O GLN A 416 -3.187 10.193 -8.616 1.00 0.00 O ATOM 190 CB GLN A 416 -2.136 8.607 -10.694 1.00 0.00 C ATOM 191 CG GLN A 416 -1.302 7.851 -11.716 1.00 0.00 C ATOM 192 CD GLN A 416 -0.195 8.701 -12.310 1.00 0.00 C ATOM 193 OE1 GLN A 416 -0.445 9.573 -13.143 1.00 0.00 O ATOM 194 NE2 GLN A 416 1.037 8.452 -11.883 1.00 0.00 N ATOM 0 H GLN A 416 -1.875 6.478 -9.358 1.00 0.00 H new ATOM 0 HA GLN A 416 -0.628 9.106 -9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 416 -3.146 8.197 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 416 -2.217 9.649 -11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 416 -0.865 6.971 -11.244 1.00 0.00 H new ATOM 0 HG3 GLN A 416 -1.950 7.495 -12.516 1.00 0.00 H new ATOM 0 HE21 GLN A 416 1.199 7.720 -11.191 1.00 0.00 H new ATOM 0 HE22 GLN A 416 1.822 8.993 -12.246 1.00 0.00 H new ATOM 203 N SER A 417 -2.642 8.618 -7.104 1.00 0.00 N ATOM 204 CA SER A 417 -3.542 9.134 -6.079 1.00 0.00 C ATOM 205 C SER A 417 -2.761 9.598 -4.854 1.00 0.00 C ATOM 206 O SER A 417 -2.998 10.686 -4.327 1.00 0.00 O ATOM 207 CB SER A 417 -4.557 8.062 -5.675 1.00 0.00 C ATOM 208 OG SER A 417 -5.722 8.135 -6.479 1.00 0.00 O ATOM 0 H SER A 417 -2.112 7.793 -6.823 1.00 0.00 H new ATOM 0 HA SER A 417 -4.074 9.990 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.106 7.074 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.826 8.188 -4.626 1.00 0.00 H new ATOM 0 HG SER A 417 -6.517 8.062 -5.911 1.00 0.00 H new ATOM 214 N CYS A 418 -1.827 8.766 -4.405 1.00 0.00 N ATOM 215 CA CYS A 418 -1.010 9.089 -3.242 1.00 0.00 C ATOM 216 C CYS A 418 0.460 9.224 -3.630 1.00 0.00 C ATOM 217 O CYS A 418 1.132 10.175 -3.235 1.00 0.00 O ATOM 218 CB CYS A 418 -1.168 8.012 -2.167 1.00 0.00 C ATOM 219 SG CYS A 418 -0.731 6.334 -2.726 1.00 0.00 S ATOM 0 H CYS A 418 -1.617 7.863 -4.830 1.00 0.00 H new ATOM 0 HA CYS A 418 -1.352 10.044 -2.843 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -0.544 8.273 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -2.201 8.010 -1.819 1.00 0.00 H new ATOM 224 N GLY A 419 0.951 8.264 -4.408 1.00 0.00 N ATOM 225 CA GLY A 419 2.337 8.294 -4.837 1.00 0.00 C ATOM 226 C GLY A 419 3.047 6.976 -4.596 1.00 0.00 C ATOM 227 O GLY A 419 4.270 6.889 -4.718 1.00 0.00 O ATOM 0 H GLY A 419 0.414 7.467 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 419 2.380 8.538 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 419 2.862 9.088 -4.306 1.00 0.00 H new ATOM 231 N LYS A 420 2.281 5.947 -4.250 1.00 0.00 N ATOM 232 CA LYS A 420 2.843 4.627 -3.991 1.00 0.00 C ATOM 233 C LYS A 420 3.470 4.045 -5.253 1.00 0.00 C ATOM 234 O LYS A 420 3.462 4.675 -6.310 1.00 0.00 O ATOM 235 CB LYS A 420 1.759 3.683 -3.465 1.00 0.00 C ATOM 236 CG LYS A 420 1.624 3.696 -1.952 1.00 0.00 C ATOM 237 CD LYS A 420 0.956 2.430 -1.442 1.00 0.00 C ATOM 238 CE LYS A 420 0.769 2.468 0.068 1.00 0.00 C ATOM 239 NZ LYS A 420 0.774 1.102 0.662 1.00 0.00 N ATOM 0 H LYS A 420 1.268 6.002 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 420 3.622 4.733 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.802 3.958 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 420 1.983 2.668 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.610 3.796 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 420 1.042 4.565 -1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -0.013 2.308 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.560 1.564 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 420 1.564 3.062 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -0.172 2.964 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 0.644 1.171 1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -0.001 0.542 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 1.682 0.638 0.458 1.00 0.00 H new ATOM 253 N GLY A 421 4.012 2.836 -5.136 1.00 0.00 N ATOM 254 CA GLY A 421 4.635 2.189 -6.276 1.00 0.00 C ATOM 255 C GLY A 421 4.455 0.684 -6.258 1.00 0.00 C ATOM 256 O GLY A 421 4.489 0.060 -5.196 1.00 0.00 O ATOM 0 H GLY A 421 4.031 2.294 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 421 4.210 2.592 -7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 421 5.699 2.424 -6.287 1.00 0.00 H new ATOM 260 N PHE A 422 4.262 0.098 -7.435 1.00 0.00 N ATOM 261 CA PHE A 422 4.074 -1.344 -7.549 1.00 0.00 C ATOM 262 C PHE A 422 4.832 -1.897 -8.752 1.00 0.00 C ATOM 263 O PHE A 422 5.213 -1.153 -9.656 1.00 0.00 O ATOM 264 CB PHE A 422 2.586 -1.677 -7.673 1.00 0.00 C ATOM 265 CG PHE A 422 1.778 -1.263 -6.476 1.00 0.00 C ATOM 266 CD1 PHE A 422 1.564 0.077 -6.198 1.00 0.00 C ATOM 267 CD2 PHE A 422 1.232 -2.215 -5.630 1.00 0.00 C ATOM 268 CE1 PHE A 422 0.821 0.460 -5.097 1.00 0.00 C ATOM 269 CE2 PHE A 422 0.488 -1.838 -4.527 1.00 0.00 C ATOM 270 CZ PHE A 422 0.282 -0.499 -4.261 1.00 0.00 C ATOM 0 H PHE A 422 4.232 0.599 -8.323 1.00 0.00 H new ATOM 0 HA PHE A 422 4.470 -1.810 -6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 422 2.185 -1.187 -8.560 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.473 -2.751 -7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 422 1.982 0.831 -6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 422 1.389 -3.264 -5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 422 0.662 1.508 -4.890 1.00 0.00 H new ATOM 0 HE2 PHE A 422 0.069 -2.590 -3.875 1.00 0.00 H new ATOM 0 HZ PHE A 422 -0.300 -0.202 -3.401 1.00 0.00 H new ATOM 280 N SER A 423 5.048 -3.209 -8.756 1.00 0.00 N ATOM 281 CA SER A 423 5.764 -3.863 -9.845 1.00 0.00 C ATOM 282 C SER A 423 4.793 -4.378 -10.902 1.00 0.00 C ATOM 283 O SER A 423 5.112 -4.412 -12.090 1.00 0.00 O ATOM 284 CB SER A 423 6.610 -5.018 -9.306 1.00 0.00 C ATOM 285 OG SER A 423 7.856 -4.553 -8.817 1.00 0.00 O ATOM 0 H SER A 423 4.737 -3.840 -8.017 1.00 0.00 H new ATOM 0 HA SER A 423 6.421 -3.127 -10.309 1.00 0.00 H new ATOM 0 HB2 SER A 423 6.070 -5.527 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 423 6.776 -5.751 -10.096 1.00 0.00 H new ATOM 0 HG SER A 423 8.350 -4.117 -9.542 1.00 0.00 H new ATOM 291 N ARG A 424 3.605 -4.779 -10.460 1.00 0.00 N ATOM 292 CA ARG A 424 2.586 -5.294 -11.366 1.00 0.00 C ATOM 293 C ARG A 424 1.398 -4.341 -11.447 1.00 0.00 C ATOM 294 O ARG A 424 1.132 -3.562 -10.531 1.00 0.00 O ATOM 295 CB ARG A 424 2.116 -6.675 -10.907 1.00 0.00 C ATOM 296 CG ARG A 424 3.169 -7.760 -11.061 1.00 0.00 C ATOM 297 CD ARG A 424 2.536 -9.119 -11.318 1.00 0.00 C ATOM 298 NE ARG A 424 1.414 -9.379 -10.420 1.00 0.00 N ATOM 299 CZ ARG A 424 0.568 -10.391 -10.575 1.00 0.00 C ATOM 300 NH1 ARG A 424 0.715 -11.233 -11.589 1.00 0.00 N ATOM 301 NH2 ARG A 424 -0.428 -10.562 -9.716 1.00 0.00 N ATOM 0 H ARG A 424 3.325 -4.757 -9.479 1.00 0.00 H new ATOM 0 HA ARG A 424 3.028 -5.380 -12.358 1.00 0.00 H new ATOM 0 HB2 ARG A 424 1.816 -6.618 -9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 424 1.231 -6.956 -11.478 1.00 0.00 H new ATOM 0 HG2 ARG A 424 3.836 -7.507 -11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 424 3.780 -7.807 -10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 424 2.192 -9.169 -12.351 1.00 0.00 H new ATOM 0 HD3 ARG A 424 3.288 -9.898 -11.194 1.00 0.00 H new ATOM 0 HE ARG A 424 1.272 -8.749 -9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 424 1.479 -11.104 -12.252 1.00 0.00 H new ATOM 0 HH12 ARG A 424 0.064 -12.009 -11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 424 -0.545 -9.916 -8.935 1.00 0.00 H new ATOM 0 HH22 ARG A 424 -1.077 -11.340 -9.836 1.00 0.00 H new ATOM 315 N PRO A 425 0.665 -4.401 -12.569 1.00 0.00 N ATOM 316 CA PRO A 425 -0.507 -3.551 -12.796 1.00 0.00 C ATOM 317 C PRO A 425 -1.678 -3.924 -11.894 1.00 0.00 C ATOM 318 O PRO A 425 -2.360 -3.054 -11.353 1.00 0.00 O ATOM 319 CB PRO A 425 -0.857 -3.813 -14.263 1.00 0.00 C ATOM 320 CG PRO A 425 -0.314 -5.171 -14.545 1.00 0.00 C ATOM 321 CD PRO A 425 0.924 -5.306 -13.702 1.00 0.00 C ATOM 0 HA PRO A 425 -0.300 -2.504 -12.573 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -1.934 -3.776 -14.426 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -0.410 -3.064 -14.917 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -1.042 -5.942 -14.295 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -0.080 -5.285 -15.603 1.00 0.00 H new ATOM 0 HD2 PRO A 425 1.074 -6.333 -13.370 1.00 0.00 H new ATOM 0 HD3 PRO A 425 1.819 -5.015 -14.252 1.00 0.00 H new ATOM 329 N ASP A 426 -1.906 -5.224 -11.736 1.00 0.00 N ATOM 330 CA ASP A 426 -2.994 -5.713 -10.898 1.00 0.00 C ATOM 331 C ASP A 426 -2.736 -5.392 -9.429 1.00 0.00 C ATOM 332 O ASP A 426 -3.655 -5.042 -8.688 1.00 0.00 O ATOM 333 CB ASP A 426 -3.169 -7.221 -11.080 1.00 0.00 C ATOM 334 CG ASP A 426 -3.602 -7.588 -12.486 1.00 0.00 C ATOM 335 OD1 ASP A 426 -2.774 -7.464 -13.413 1.00 0.00 O ATOM 336 OD2 ASP A 426 -4.767 -8.001 -12.658 1.00 0.00 O ATOM 0 H ASP A 426 -1.351 -5.957 -12.178 1.00 0.00 H new ATOM 0 HA ASP A 426 -3.910 -5.209 -11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -2.229 -7.723 -10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -3.909 -7.587 -10.368 1.00 0.00 H new ATOM 341 N HIS A 427 -1.478 -5.514 -9.014 1.00 0.00 N ATOM 342 CA HIS A 427 -1.099 -5.237 -7.634 1.00 0.00 C ATOM 343 C HIS A 427 -1.459 -3.805 -7.248 1.00 0.00 C ATOM 344 O HIS A 427 -2.072 -3.568 -6.207 1.00 0.00 O ATOM 345 CB HIS A 427 0.400 -5.469 -7.439 1.00 0.00 C ATOM 346 CG HIS A 427 0.783 -6.916 -7.408 1.00 0.00 C ATOM 347 ND1 HIS A 427 2.063 -7.361 -7.663 1.00 0.00 N ATOM 348 CD2 HIS A 427 0.047 -8.022 -7.148 1.00 0.00 C ATOM 349 CE1 HIS A 427 2.097 -8.678 -7.564 1.00 0.00 C ATOM 350 NE2 HIS A 427 0.886 -9.104 -7.252 1.00 0.00 N ATOM 0 H HIS A 427 -0.705 -5.803 -9.614 1.00 0.00 H new ATOM 0 HA HIS A 427 -1.652 -5.918 -6.987 1.00 0.00 H new ATOM 0 HB2 HIS A 427 0.944 -4.975 -8.244 1.00 0.00 H new ATOM 0 HB3 HIS A 427 0.714 -4.999 -6.507 1.00 0.00 H new ATOM 0 HD2 HIS A 427 -1.005 -8.048 -6.904 1.00 0.00 H new ATOM 0 HE1 HIS A 427 2.967 -9.301 -7.713 1.00 0.00 H new ATOM 0 HE2 HIS A 427 0.618 -10.078 -7.111 1.00 0.00 H new ATOM 358 N LEU A 428 -1.072 -2.855 -8.092 1.00 0.00 N ATOM 359 CA LEU A 428 -1.353 -1.446 -7.839 1.00 0.00 C ATOM 360 C LEU A 428 -2.856 -1.188 -7.810 1.00 0.00 C ATOM 361 O LEU A 428 -3.362 -0.506 -6.919 1.00 0.00 O ATOM 362 CB LEU A 428 -0.695 -0.574 -8.910 1.00 0.00 C ATOM 363 CG LEU A 428 -1.353 0.781 -9.169 1.00 0.00 C ATOM 364 CD1 LEU A 428 -1.294 1.650 -7.922 1.00 0.00 C ATOM 365 CD2 LEU A 428 -0.685 1.483 -10.342 1.00 0.00 C ATOM 0 H LEU A 428 -0.563 -3.035 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 428 -0.939 -1.187 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.343 -0.403 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.679 -1.133 -9.846 1.00 0.00 H new ATOM 0 HG LEU A 428 -2.400 0.613 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.767 2.611 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -1.819 1.152 -7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 428 -0.254 1.811 -7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 428 -1.167 2.446 -10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 428 0.370 1.639 -10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 428 -0.780 0.867 -11.236 1.00 0.00 H new ATOM 377 N ASN A 429 -3.566 -1.739 -8.789 1.00 0.00 N ATOM 378 CA ASN A 429 -5.012 -1.570 -8.875 1.00 0.00 C ATOM 379 C ASN A 429 -5.677 -1.893 -7.540 1.00 0.00 C ATOM 380 O ASN A 429 -6.408 -1.073 -6.984 1.00 0.00 O ATOM 381 CB ASN A 429 -5.587 -2.465 -9.974 1.00 0.00 C ATOM 382 CG ASN A 429 -4.899 -2.256 -11.309 1.00 0.00 C ATOM 383 OD1 ASN A 429 -4.692 -3.202 -12.068 1.00 0.00 O ATOM 384 ND2 ASN A 429 -4.539 -1.011 -11.601 1.00 0.00 N ATOM 0 H ASN A 429 -3.163 -2.307 -9.534 1.00 0.00 H new ATOM 0 HA ASN A 429 -5.217 -0.528 -9.121 1.00 0.00 H new ATOM 0 HB2 ASN A 429 -5.488 -3.509 -9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 429 -6.653 -2.264 -10.082 1.00 0.00 H new ATOM 0 HD21 ASN A 429 -4.071 -0.809 -12.485 1.00 0.00 H new ATOM 0 HD22 ASN A 429 -4.731 -0.257 -10.942 1.00 0.00 H new ATOM 391 N GLY A 430 -5.418 -3.093 -7.031 1.00 0.00 N ATOM 392 CA GLY A 430 -5.999 -3.504 -5.766 1.00 0.00 C ATOM 393 C GLY A 430 -5.857 -2.444 -4.692 1.00 0.00 C ATOM 394 O GLY A 430 -6.773 -2.227 -3.898 1.00 0.00 O ATOM 0 H GLY A 430 -4.816 -3.788 -7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -7.055 -3.731 -5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -5.519 -4.423 -5.431 1.00 0.00 H new ATOM 398 N HIS A 431 -4.704 -1.782 -4.664 1.00 0.00 N ATOM 399 CA HIS A 431 -4.445 -0.739 -3.678 1.00 0.00 C ATOM 400 C HIS A 431 -5.358 0.462 -3.905 1.00 0.00 C ATOM 401 O HIS A 431 -5.879 1.046 -2.954 1.00 0.00 O ATOM 402 CB HIS A 431 -2.981 -0.301 -3.741 1.00 0.00 C ATOM 403 CG HIS A 431 -2.757 1.108 -3.286 1.00 0.00 C ATOM 404 ND1 HIS A 431 -2.655 1.462 -1.957 1.00 0.00 N ATOM 405 CD2 HIS A 431 -2.615 2.255 -3.991 1.00 0.00 C ATOM 406 CE1 HIS A 431 -2.461 2.766 -1.864 1.00 0.00 C ATOM 407 NE2 HIS A 431 -2.432 3.270 -3.085 1.00 0.00 N ATOM 0 H HIS A 431 -3.935 -1.950 -5.313 1.00 0.00 H new ATOM 0 HA HIS A 431 -4.652 -1.148 -2.689 1.00 0.00 H new ATOM 0 HB2 HIS A 431 -2.383 -0.972 -3.125 1.00 0.00 H new ATOM 0 HB3 HIS A 431 -2.623 -0.404 -4.765 1.00 0.00 H new ATOM 0 HD1 HIS A 431 -2.719 0.818 -1.169 1.00 0.00 H new ATOM 0 HD2 HIS A 431 -2.641 2.353 -5.066 1.00 0.00 H new ATOM 0 HE1 HIS A 431 -2.346 3.324 -0.947 1.00 0.00 H new ATOM 415 N ILE A 432 -5.545 0.827 -5.169 1.00 0.00 N ATOM 416 CA ILE A 432 -6.395 1.958 -5.519 1.00 0.00 C ATOM 417 C ILE A 432 -7.871 1.608 -5.357 1.00 0.00 C ATOM 418 O ILE A 432 -8.729 2.489 -5.322 1.00 0.00 O ATOM 419 CB ILE A 432 -6.145 2.423 -6.966 1.00 0.00 C ATOM 420 CG1 ILE A 432 -4.644 2.490 -7.251 1.00 0.00 C ATOM 421 CG2 ILE A 432 -6.797 3.776 -7.207 1.00 0.00 C ATOM 422 CD1 ILE A 432 -4.316 2.858 -8.681 1.00 0.00 C ATOM 0 H ILE A 432 -5.119 0.356 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 432 -6.139 2.768 -4.836 1.00 0.00 H new ATOM 0 HB ILE A 432 -6.593 1.699 -7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -4.188 3.220 -6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -4.195 1.524 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -6.612 4.091 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -7.871 3.697 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -6.376 4.510 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 432 -3.234 2.887 -8.810 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -4.742 2.115 -9.355 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -4.735 3.838 -8.910 1.00 0.00 H new ATOM 434 N LYS A 433 -8.159 0.314 -5.257 1.00 0.00 N ATOM 435 CA LYS A 433 -9.530 -0.154 -5.096 1.00 0.00 C ATOM 436 C LYS A 433 -9.745 -0.736 -3.702 1.00 0.00 C ATOM 437 O LYS A 433 -10.837 -1.200 -3.376 1.00 0.00 O ATOM 438 CB LYS A 433 -9.859 -1.207 -6.156 1.00 0.00 C ATOM 439 CG LYS A 433 -11.152 -1.958 -5.888 1.00 0.00 C ATOM 440 CD LYS A 433 -11.581 -2.779 -7.092 1.00 0.00 C ATOM 441 CE LYS A 433 -12.454 -1.968 -8.037 1.00 0.00 C ATOM 442 NZ LYS A 433 -11.668 -0.937 -8.771 1.00 0.00 N ATOM 0 H LYS A 433 -7.461 -0.429 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 433 -10.196 0.699 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -9.926 -0.721 -7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -9.038 -1.922 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -11.021 -2.614 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -11.939 -1.249 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.699 -3.134 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -12.127 -3.661 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -12.933 -2.636 -8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -13.249 -1.483 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.148 -0.706 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -11.590 -0.080 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -10.717 -1.305 -8.974 1.00 0.00 H new ATOM 456 N GLN A 434 -8.697 -0.707 -2.885 1.00 0.00 N ATOM 457 CA GLN A 434 -8.773 -1.231 -1.527 1.00 0.00 C ATOM 458 C GLN A 434 -8.492 -0.136 -0.504 1.00 0.00 C ATOM 459 O GLN A 434 -8.942 -0.209 0.639 1.00 0.00 O ATOM 460 CB GLN A 434 -7.782 -2.382 -1.345 1.00 0.00 C ATOM 461 CG GLN A 434 -7.777 -2.965 0.059 1.00 0.00 C ATOM 462 CD GLN A 434 -9.147 -3.441 0.498 1.00 0.00 C ATOM 463 OE1 GLN A 434 -9.893 -4.030 -0.285 1.00 0.00 O ATOM 464 NE2 GLN A 434 -9.487 -3.189 1.756 1.00 0.00 N ATOM 0 H GLN A 434 -7.786 -0.326 -3.140 1.00 0.00 H new ATOM 0 HA GLN A 434 -9.785 -1.603 -1.365 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -8.021 -3.172 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -6.779 -2.029 -1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -7.077 -3.799 0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -7.416 -2.212 0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -8.838 -2.698 2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -10.397 -3.486 2.108 1.00 0.00 H new ATOM 473 N VAL A 435 -7.743 0.880 -0.923 1.00 0.00 N ATOM 474 CA VAL A 435 -7.402 1.991 -0.043 1.00 0.00 C ATOM 475 C VAL A 435 -7.989 3.300 -0.559 1.00 0.00 C ATOM 476 O VAL A 435 -8.513 4.105 0.212 1.00 0.00 O ATOM 477 CB VAL A 435 -5.877 2.146 0.100 1.00 0.00 C ATOM 478 CG1 VAL A 435 -5.542 3.213 1.131 1.00 0.00 C ATOM 479 CG2 VAL A 435 -5.239 0.816 0.471 1.00 0.00 C ATOM 0 H VAL A 435 -7.361 0.956 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 435 -7.829 1.764 0.934 1.00 0.00 H new ATOM 0 HB VAL A 435 -5.470 2.463 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -4.460 3.308 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -5.966 4.167 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -5.960 2.930 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -4.161 0.944 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -5.650 0.467 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.449 0.082 -0.307 1.00 0.00 H new ATOM 489 N HIS A 436 -7.898 3.508 -1.869 1.00 0.00 N ATOM 490 CA HIS A 436 -8.421 4.720 -2.489 1.00 0.00 C ATOM 491 C HIS A 436 -9.883 4.538 -2.888 1.00 0.00 C ATOM 492 O HIS A 436 -10.601 5.512 -3.116 1.00 0.00 O ATOM 493 CB HIS A 436 -7.588 5.091 -3.716 1.00 0.00 C ATOM 494 CG HIS A 436 -6.219 5.599 -3.379 1.00 0.00 C ATOM 495 ND1 HIS A 436 -6.002 6.705 -2.585 1.00 0.00 N ATOM 496 CD2 HIS A 436 -4.994 5.144 -3.731 1.00 0.00 C ATOM 497 CE1 HIS A 436 -4.702 6.910 -2.466 1.00 0.00 C ATOM 498 NE2 HIS A 436 -4.068 5.975 -3.151 1.00 0.00 N ATOM 0 H HIS A 436 -7.467 2.853 -2.521 1.00 0.00 H new ATOM 0 HA HIS A 436 -8.359 5.528 -1.760 1.00 0.00 H new ATOM 0 HB2 HIS A 436 -7.494 4.216 -4.359 1.00 0.00 H new ATOM 0 HB3 HIS A 436 -8.118 5.852 -4.289 1.00 0.00 H new ATOM 0 HD1 HIS A 436 -6.731 7.276 -2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 436 -4.784 4.286 -4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 436 -4.237 7.707 -1.904 1.00 0.00 H new ATOM 506 N THR A 437 -10.317 3.285 -2.972 1.00 0.00 N ATOM 507 CA THR A 437 -11.692 2.976 -3.345 1.00 0.00 C ATOM 508 C THR A 437 -12.676 3.885 -2.620 1.00 0.00 C ATOM 509 O THR A 437 -12.426 4.315 -1.494 1.00 0.00 O ATOM 510 CB THR A 437 -12.041 1.508 -3.035 1.00 0.00 C ATOM 511 OG1 THR A 437 -13.444 1.289 -3.221 1.00 0.00 O ATOM 512 CG2 THR A 437 -11.651 1.148 -1.610 1.00 0.00 C ATOM 0 H THR A 437 -9.736 2.467 -2.787 1.00 0.00 H new ATOM 0 HA THR A 437 -11.773 3.142 -4.419 1.00 0.00 H new ATOM 0 HB THR A 437 -11.480 0.872 -3.719 1.00 0.00 H new ATOM 0 HG1 THR A 437 -13.658 0.353 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 437 -11.907 0.107 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 437 -10.578 1.288 -1.480 1.00 0.00 H new ATOM 0 HG23 THR A 437 -12.188 1.791 -0.912 1.00 0.00 H new ATOM 520 N SER A 438 -13.798 4.175 -3.272 1.00 0.00 N ATOM 521 CA SER A 438 -14.820 5.036 -2.689 1.00 0.00 C ATOM 522 C SER A 438 -14.365 6.493 -2.685 1.00 0.00 C ATOM 523 O SER A 438 -14.401 7.162 -1.653 1.00 0.00 O ATOM 524 CB SER A 438 -15.143 4.587 -1.263 1.00 0.00 C ATOM 525 OG SER A 438 -15.104 3.175 -1.152 1.00 0.00 O ATOM 0 H SER A 438 -14.022 3.826 -4.204 1.00 0.00 H new ATOM 0 HA SER A 438 -15.719 4.956 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 438 -14.429 5.029 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 438 -16.131 4.950 -0.979 1.00 0.00 H new ATOM 0 HG SER A 438 -15.312 2.913 -0.231 1.00 0.00 H new ATOM 531 N GLU A 439 -13.937 6.976 -3.847 1.00 0.00 N ATOM 532 CA GLU A 439 -13.474 8.352 -3.978 1.00 0.00 C ATOM 533 C GLU A 439 -13.749 8.888 -5.380 1.00 0.00 C ATOM 534 O GLU A 439 -13.717 8.142 -6.358 1.00 0.00 O ATOM 535 CB GLU A 439 -11.978 8.442 -3.670 1.00 0.00 C ATOM 536 CG GLU A 439 -11.093 7.946 -4.801 1.00 0.00 C ATOM 537 CD GLU A 439 -9.668 8.450 -4.691 1.00 0.00 C ATOM 538 OE1 GLU A 439 -9.421 9.358 -3.870 1.00 0.00 O ATOM 539 OE2 GLU A 439 -8.798 7.936 -5.426 1.00 0.00 O ATOM 0 H GLU A 439 -13.901 6.435 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 439 -14.023 8.962 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -11.723 9.478 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -11.765 7.862 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -11.090 6.856 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -11.515 8.265 -5.754 1.00 0.00 H new ATOM 546 N ARG A 440 -14.021 10.186 -5.468 1.00 0.00 N ATOM 547 CA ARG A 440 -14.303 10.823 -6.749 1.00 0.00 C ATOM 548 C ARG A 440 -13.746 12.242 -6.785 1.00 0.00 C ATOM 549 O ARG A 440 -13.738 12.959 -5.784 1.00 0.00 O ATOM 550 CB ARG A 440 -15.811 10.848 -7.008 1.00 0.00 C ATOM 551 CG ARG A 440 -16.456 9.472 -6.989 1.00 0.00 C ATOM 552 CD ARG A 440 -16.925 9.096 -5.593 1.00 0.00 C ATOM 553 NE ARG A 440 -17.709 7.863 -5.593 1.00 0.00 N ATOM 554 CZ ARG A 440 -18.977 7.799 -5.983 1.00 0.00 C ATOM 555 NH1 ARG A 440 -19.601 8.891 -6.403 1.00 0.00 N ATOM 556 NH2 ARG A 440 -19.624 6.641 -5.954 1.00 0.00 N ATOM 0 H ARG A 440 -14.052 10.817 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 440 -13.816 10.241 -7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -16.290 11.475 -6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -15.997 11.314 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -17.303 9.457 -7.675 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -15.743 8.730 -7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -16.060 8.976 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -17.525 9.907 -5.181 1.00 0.00 H new ATOM 0 HE ARG A 440 -17.258 7.005 -5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -19.107 9.783 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -20.575 8.839 -6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -19.148 5.799 -5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -20.598 6.593 -6.254 1.00 0.00 H new ATOM 570 N PRO A 441 -13.267 12.660 -7.966 1.00 0.00 N ATOM 571 CA PRO A 441 -12.698 13.997 -8.162 1.00 0.00 C ATOM 572 C PRO A 441 -13.757 15.093 -8.093 1.00 0.00 C ATOM 573 O PRO A 441 -13.451 16.276 -8.244 1.00 0.00 O ATOM 574 CB PRO A 441 -12.095 13.924 -9.567 1.00 0.00 C ATOM 575 CG PRO A 441 -12.878 12.863 -10.260 1.00 0.00 C ATOM 576 CD PRO A 441 -13.244 11.860 -9.202 1.00 0.00 C ATOM 0 HA PRO A 441 -11.975 14.250 -7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 441 -12.179 14.880 -10.084 1.00 0.00 H new ATOM 0 HB3 PRO A 441 -11.035 13.674 -9.530 1.00 0.00 H new ATOM 0 HG2 PRO A 441 -13.770 13.279 -10.728 1.00 0.00 H new ATOM 0 HG3 PRO A 441 -12.290 12.398 -11.051 1.00 0.00 H new ATOM 0 HD2 PRO A 441 -14.212 11.401 -9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 441 -12.514 11.052 -9.144 1.00 0.00 H new ATOM 584 N HIS A 442 -15.003 14.692 -7.863 1.00 0.00 N ATOM 585 CA HIS A 442 -16.107 15.641 -7.773 1.00 0.00 C ATOM 586 C HIS A 442 -15.660 16.931 -7.093 1.00 0.00 C ATOM 587 O HIS A 442 -16.026 18.028 -7.516 1.00 0.00 O ATOM 588 CB HIS A 442 -17.276 15.024 -7.004 1.00 0.00 C ATOM 589 CG HIS A 442 -18.568 15.760 -7.186 1.00 0.00 C ATOM 590 ND1 HIS A 442 -19.668 15.206 -7.807 1.00 0.00 N ATOM 591 CD2 HIS A 442 -18.932 17.012 -6.824 1.00 0.00 C ATOM 592 CE1 HIS A 442 -20.653 16.087 -7.820 1.00 0.00 C ATOM 593 NE2 HIS A 442 -20.232 17.191 -7.229 1.00 0.00 N ATOM 0 H HIS A 442 -15.274 13.717 -7.736 1.00 0.00 H new ATOM 0 HA HIS A 442 -16.433 15.879 -8.786 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -17.407 13.991 -7.326 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -17.029 14.998 -5.943 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -18.315 17.736 -6.312 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -21.635 15.931 -8.242 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -20.783 18.039 -7.095 1.00 0.00 H new ATOM 601 N LYS A 443 -14.867 16.793 -6.036 1.00 0.00 N ATOM 602 CA LYS A 443 -14.368 17.947 -5.297 1.00 0.00 C ATOM 603 C LYS A 443 -13.169 18.570 -6.004 1.00 0.00 C ATOM 604 O LYS A 443 -12.144 18.849 -5.380 1.00 0.00 O ATOM 605 CB LYS A 443 -13.979 17.538 -3.875 1.00 0.00 C ATOM 606 CG LYS A 443 -15.169 17.346 -2.950 1.00 0.00 C ATOM 607 CD LYS A 443 -15.677 15.914 -2.986 1.00 0.00 C ATOM 608 CE LYS A 443 -16.809 15.699 -1.993 1.00 0.00 C ATOM 609 NZ LYS A 443 -17.408 14.342 -2.120 1.00 0.00 N ATOM 0 H LYS A 443 -14.556 15.893 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 443 -15.165 18.689 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -13.408 16.610 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -13.321 18.299 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -14.885 17.607 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -15.971 18.025 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -16.023 15.675 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -14.858 15.231 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -16.434 15.837 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -17.580 16.453 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -18.176 14.235 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -17.789 14.219 -3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -16.678 13.622 -1.943 1.00 0.00 H new ATOM 623 N CYS A 444 -13.304 18.787 -7.308 1.00 0.00 N ATOM 624 CA CYS A 444 -12.231 19.379 -8.100 1.00 0.00 C ATOM 625 C CYS A 444 -12.792 20.338 -9.144 1.00 0.00 C ATOM 626 O CYS A 444 -13.965 20.258 -9.508 1.00 0.00 O ATOM 627 CB CYS A 444 -11.411 18.284 -8.784 1.00 0.00 C ATOM 628 SG CYS A 444 -9.678 18.720 -9.055 1.00 0.00 S ATOM 0 H CYS A 444 -14.145 18.562 -7.839 1.00 0.00 H new ATOM 0 HA CYS A 444 -11.583 19.941 -7.427 1.00 0.00 H new ATOM 0 HB2 CYS A 444 -11.456 17.379 -8.178 1.00 0.00 H new ATOM 0 HB3 CYS A 444 -11.870 18.048 -9.744 1.00 0.00 H new ATOM 0 HG CYS A 444 -9.067 17.730 -9.636 1.00 0.00 H new ATOM 634 N GLN A 445 -11.946 21.246 -9.621 1.00 0.00 N ATOM 635 CA GLN A 445 -12.359 22.222 -10.622 1.00 0.00 C ATOM 636 C GLN A 445 -11.705 21.931 -11.969 1.00 0.00 C ATOM 637 O GLN A 445 -10.715 22.563 -12.339 1.00 0.00 O ATOM 638 CB GLN A 445 -12.000 23.637 -10.163 1.00 0.00 C ATOM 639 CG GLN A 445 -10.575 23.768 -9.651 1.00 0.00 C ATOM 640 CD GLN A 445 -10.462 23.500 -8.163 1.00 0.00 C ATOM 641 OE1 GLN A 445 -11.085 24.183 -7.349 1.00 0.00 O ATOM 642 NE2 GLN A 445 -9.666 22.502 -7.799 1.00 0.00 N ATOM 0 H GLN A 445 -10.972 21.326 -9.330 1.00 0.00 H new ATOM 0 HA GLN A 445 -13.440 22.148 -10.740 1.00 0.00 H new ATOM 0 HB2 GLN A 445 -12.143 24.327 -10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 445 -12.689 23.940 -9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 445 -9.934 23.072 -10.191 1.00 0.00 H new ATOM 0 HG3 GLN A 445 -10.207 24.772 -9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 445 -9.169 21.962 -8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 445 -9.552 22.275 -6.811 1.00 0.00 H new ATOM 651 N VAL A 446 -12.264 20.970 -12.697 1.00 0.00 N ATOM 652 CA VAL A 446 -11.735 20.596 -14.003 1.00 0.00 C ATOM 653 C VAL A 446 -12.593 21.167 -15.127 1.00 0.00 C ATOM 654 O VAL A 446 -13.817 21.229 -15.017 1.00 0.00 O ATOM 655 CB VAL A 446 -11.657 19.065 -14.159 1.00 0.00 C ATOM 656 CG1 VAL A 446 -13.052 18.464 -14.237 1.00 0.00 C ATOM 657 CG2 VAL A 446 -10.839 18.697 -15.388 1.00 0.00 C ATOM 0 H VAL A 446 -13.083 20.436 -12.405 1.00 0.00 H new ATOM 0 HA VAL A 446 -10.730 21.013 -14.069 1.00 0.00 H new ATOM 0 HB VAL A 446 -11.159 18.652 -13.282 1.00 0.00 H new ATOM 0 HG11 VAL A 446 -12.976 17.382 -14.347 1.00 0.00 H new ATOM 0 HG12 VAL A 446 -13.601 18.699 -13.325 1.00 0.00 H new ATOM 0 HG13 VAL A 446 -13.580 18.880 -15.095 1.00 0.00 H new ATOM 0 HG21 VAL A 446 -10.794 17.612 -15.484 1.00 0.00 H new ATOM 0 HG22 VAL A 446 -11.307 19.120 -16.277 1.00 0.00 H new ATOM 0 HG23 VAL A 446 -9.829 19.095 -15.285 1.00 0.00 H new ATOM 667 N TRP A 447 -11.941 21.582 -16.208 1.00 0.00 N ATOM 668 CA TRP A 447 -12.644 22.148 -17.353 1.00 0.00 C ATOM 669 C TRP A 447 -13.375 21.062 -18.134 1.00 0.00 C ATOM 670 O TRP A 447 -14.550 21.210 -18.471 1.00 0.00 O ATOM 671 CB TRP A 447 -11.662 22.879 -18.270 1.00 0.00 C ATOM 672 CG TRP A 447 -10.644 21.974 -18.893 1.00 0.00 C ATOM 673 CD1 TRP A 447 -10.765 21.290 -20.069 1.00 0.00 C ATOM 674 CD2 TRP A 447 -9.350 21.652 -18.371 1.00 0.00 C ATOM 675 NE1 TRP A 447 -9.625 20.562 -20.309 1.00 0.00 N ATOM 676 CE2 TRP A 447 -8.741 20.768 -19.283 1.00 0.00 C ATOM 677 CE3 TRP A 447 -8.646 22.026 -17.224 1.00 0.00 C ATOM 678 CZ2 TRP A 447 -7.463 20.253 -19.081 1.00 0.00 C ATOM 679 CZ3 TRP A 447 -7.378 21.514 -17.024 1.00 0.00 C ATOM 680 CH2 TRP A 447 -6.797 20.636 -17.949 1.00 0.00 C ATOM 0 H TRP A 447 -10.928 21.537 -16.315 1.00 0.00 H new ATOM 0 HA TRP A 447 -13.381 22.860 -16.980 1.00 0.00 H new ATOM 0 HB2 TRP A 447 -12.220 23.384 -19.059 1.00 0.00 H new ATOM 0 HB3 TRP A 447 -11.149 23.652 -17.698 1.00 0.00 H new ATOM 0 HD1 TRP A 447 -11.630 21.317 -20.715 1.00 0.00 H new ATOM 0 HE1 TRP A 447 -9.463 19.965 -21.120 1.00 0.00 H new ATOM 0 HE3 TRP A 447 -9.085 22.703 -16.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 447 -7.014 19.576 -19.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 447 -6.825 21.795 -16.140 1.00 0.00 H new ATOM 0 HH2 TRP A 447 -5.804 20.254 -17.765 1.00 0.00 H new ATOM 691 N VAL A 448 -12.673 19.970 -18.420 1.00 0.00 N ATOM 692 CA VAL A 448 -13.257 18.858 -19.161 1.00 0.00 C ATOM 693 C VAL A 448 -13.804 17.795 -18.215 1.00 0.00 C ATOM 694 O VAL A 448 -13.161 17.437 -17.228 1.00 0.00 O ATOM 695 CB VAL A 448 -12.226 18.209 -20.104 1.00 0.00 C ATOM 696 CG1 VAL A 448 -10.978 17.803 -19.333 1.00 0.00 C ATOM 697 CG2 VAL A 448 -12.836 17.011 -20.816 1.00 0.00 C ATOM 0 H VAL A 448 -11.699 19.832 -18.150 1.00 0.00 H new ATOM 0 HA VAL A 448 -14.074 19.267 -19.755 1.00 0.00 H new ATOM 0 HB VAL A 448 -11.936 18.942 -20.857 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -10.261 17.346 -20.015 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -10.531 18.685 -18.874 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -11.247 17.087 -18.557 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -12.094 16.565 -21.478 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -13.155 16.274 -20.079 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -13.696 17.335 -21.401 1.00 0.00 H new ATOM 707 N SER A 449 -14.995 17.292 -18.524 1.00 0.00 N ATOM 708 CA SER A 449 -15.631 16.271 -17.700 1.00 0.00 C ATOM 709 C SER A 449 -14.703 15.076 -17.503 1.00 0.00 C ATOM 710 O SER A 449 -14.204 14.838 -16.404 1.00 0.00 O ATOM 711 CB SER A 449 -16.943 15.813 -18.340 1.00 0.00 C ATOM 712 OG SER A 449 -17.844 15.322 -17.363 1.00 0.00 O ATOM 0 H SER A 449 -15.539 17.575 -19.339 1.00 0.00 H new ATOM 0 HA SER A 449 -15.844 16.708 -16.724 1.00 0.00 H new ATOM 0 HB2 SER A 449 -17.400 16.646 -18.875 1.00 0.00 H new ATOM 0 HB3 SER A 449 -16.740 15.035 -19.076 1.00 0.00 H new ATOM 0 HG SER A 449 -18.675 15.038 -17.798 1.00 0.00 H new ATOM 718 N GLY A 450 -14.477 14.327 -18.578 1.00 0.00 N ATOM 719 CA GLY A 450 -13.610 13.166 -18.503 1.00 0.00 C ATOM 720 C GLY A 450 -13.960 12.114 -19.536 1.00 0.00 C ATOM 721 O GLY A 450 -15.124 11.920 -19.887 1.00 0.00 O ATOM 0 H GLY A 450 -14.879 14.504 -19.499 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -12.575 13.479 -18.644 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -13.678 12.729 -17.507 1.00 0.00 H new ATOM 725 N PRO A 451 -12.935 11.413 -20.044 1.00 0.00 N ATOM 726 CA PRO A 451 -13.115 10.364 -21.052 1.00 0.00 C ATOM 727 C PRO A 451 -13.807 9.128 -20.485 1.00 0.00 C ATOM 728 O PRO A 451 -14.002 8.137 -21.188 1.00 0.00 O ATOM 729 CB PRO A 451 -11.683 10.028 -21.474 1.00 0.00 C ATOM 730 CG PRO A 451 -10.844 10.405 -20.302 1.00 0.00 C ATOM 731 CD PRO A 451 -11.521 11.590 -19.672 1.00 0.00 C ATOM 0 HA PRO A 451 -13.750 10.694 -21.874 1.00 0.00 H new ATOM 0 HB2 PRO A 451 -11.578 8.969 -21.711 1.00 0.00 H new ATOM 0 HB3 PRO A 451 -11.392 10.585 -22.365 1.00 0.00 H new ATOM 0 HG2 PRO A 451 -10.767 9.579 -19.595 1.00 0.00 H new ATOM 0 HG3 PRO A 451 -9.829 10.655 -20.613 1.00 0.00 H new ATOM 0 HD2 PRO A 451 -11.388 11.600 -18.590 1.00 0.00 H new ATOM 0 HD3 PRO A 451 -11.120 12.530 -20.051 1.00 0.00 H new ATOM 739 N SER A 452 -14.177 9.195 -19.210 1.00 0.00 N ATOM 740 CA SER A 452 -14.844 8.080 -18.548 1.00 0.00 C ATOM 741 C SER A 452 -15.759 7.341 -19.520 1.00 0.00 C ATOM 742 O SER A 452 -16.859 7.800 -19.825 1.00 0.00 O ATOM 743 CB SER A 452 -15.652 8.581 -17.350 1.00 0.00 C ATOM 744 OG SER A 452 -15.768 7.577 -16.357 1.00 0.00 O ATOM 0 H SER A 452 -14.026 10.010 -18.615 1.00 0.00 H new ATOM 0 HA SER A 452 -14.079 7.387 -18.197 1.00 0.00 H new ATOM 0 HB2 SER A 452 -15.171 9.462 -16.926 1.00 0.00 H new ATOM 0 HB3 SER A 452 -16.645 8.887 -17.680 1.00 0.00 H new ATOM 0 HG SER A 452 -16.287 7.923 -15.601 1.00 0.00 H new ATOM 750 N SER A 453 -15.295 6.192 -20.002 1.00 0.00 N ATOM 751 CA SER A 453 -16.069 5.390 -20.942 1.00 0.00 C ATOM 752 C SER A 453 -16.621 4.140 -20.263 1.00 0.00 C ATOM 753 O SER A 453 -16.484 3.030 -20.775 1.00 0.00 O ATOM 754 CB SER A 453 -15.203 4.993 -22.139 1.00 0.00 C ATOM 755 OG SER A 453 -14.799 6.133 -22.878 1.00 0.00 O ATOM 0 H SER A 453 -14.387 5.796 -19.757 1.00 0.00 H new ATOM 0 HA SER A 453 -16.907 5.993 -21.292 1.00 0.00 H new ATOM 0 HB2 SER A 453 -14.324 4.451 -21.791 1.00 0.00 H new ATOM 0 HB3 SER A 453 -15.760 4.315 -22.786 1.00 0.00 H new ATOM 0 HG SER A 453 -14.489 6.829 -22.262 1.00 0.00 H new ATOM 761 N GLY A 454 -17.247 4.331 -19.106 1.00 0.00 N ATOM 762 CA GLY A 454 -17.812 3.212 -18.374 1.00 0.00 C ATOM 763 C GLY A 454 -17.809 3.438 -16.875 1.00 0.00 C ATOM 764 O GLY A 454 -17.920 4.573 -16.412 1.00 0.00 O ATOM 0 H GLY A 454 -17.373 5.241 -18.662 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -18.835 3.041 -18.710 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -17.246 2.309 -18.603 1.00 0.00 H new TER 768 GLY A 454 HETATM 769 ZN ZN A 201 -2.427 5.133 -3.634 1.00 0.00 ZN