USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=19 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 31:sc= 0.95 USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 408 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ -156:sc= -0.0944 (180deg=-0.569) USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0472) USER MOD Single : A 423 SER OG : rot 180:sc= -0.355 USER MOD Single : A 427 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-3.7!) USER MOD Single : A 429 ASN : amide:sc= -3.75 K(o=-3.8,f=-7.2!) USER MOD Single : A 433 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0101) USER MOD Single : A 434 GLN : amide:sc= -0.0599 K(o=-0.06,f=-0.9) 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 HE2:sc= 0.94 K(o=0.94,f=-4.1!) USER MOD Single : A 443 LYS NZ :NH3+ -130:sc= -0.391 (180deg=-1.89!) USER MOD Single : A 444 CYS SG : rot -40:sc= 0.138 USER MOD Single : A 445 GLN : amide:sc= -0.0254 X(o=-0.025,f=0) 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 8.778 21.720 -21.601 1.00 0.00 N ATOM 2 CA GLY A 401 9.225 22.638 -20.570 1.00 0.00 C ATOM 3 C GLY A 401 10.732 22.636 -20.405 1.00 0.00 C ATOM 4 O GLY A 401 11.469 22.845 -21.368 1.00 0.00 O ATOM 0 HA2 GLY A 401 8.891 23.646 -20.816 1.00 0.00 H new ATOM 0 HA3 GLY A 401 8.759 22.370 -19.622 1.00 0.00 H new ATOM 8 N SER A 402 11.192 22.400 -19.180 1.00 0.00 N ATOM 9 CA SER A 402 12.621 22.376 -18.891 1.00 0.00 C ATOM 10 C SER A 402 12.997 21.119 -18.113 1.00 0.00 C ATOM 11 O SER A 402 12.700 21.000 -16.924 1.00 0.00 O ATOM 12 CB SER A 402 13.022 23.621 -18.097 1.00 0.00 C ATOM 13 OG SER A 402 12.404 23.634 -16.822 1.00 0.00 O ATOM 0 H SER A 402 10.595 22.223 -18.372 1.00 0.00 H new ATOM 0 HA SER A 402 13.159 22.369 -19.839 1.00 0.00 H new ATOM 0 HB2 SER A 402 14.105 23.648 -17.980 1.00 0.00 H new ATOM 0 HB3 SER A 402 12.739 24.516 -18.651 1.00 0.00 H new ATOM 0 HG SER A 402 12.268 22.713 -16.515 1.00 0.00 H new ATOM 19 N SER A 403 13.653 20.184 -18.792 1.00 0.00 N ATOM 20 CA SER A 403 14.067 18.934 -18.167 1.00 0.00 C ATOM 21 C SER A 403 15.103 18.214 -19.026 1.00 0.00 C ATOM 22 O SER A 403 15.396 18.631 -20.145 1.00 0.00 O ATOM 23 CB SER A 403 12.856 18.026 -17.941 1.00 0.00 C ATOM 24 OG SER A 403 12.233 17.691 -19.169 1.00 0.00 O ATOM 0 H SER A 403 13.909 20.269 -19.776 1.00 0.00 H new ATOM 0 HA SER A 403 14.520 19.171 -17.204 1.00 0.00 H new ATOM 0 HB2 SER A 403 13.170 17.116 -17.429 1.00 0.00 H new ATOM 0 HB3 SER A 403 12.139 18.526 -17.290 1.00 0.00 H new ATOM 0 HG SER A 403 11.463 17.109 -18.997 1.00 0.00 H new ATOM 30 N GLY A 404 15.655 17.129 -18.491 1.00 0.00 N ATOM 31 CA GLY A 404 16.652 16.367 -19.220 1.00 0.00 C ATOM 32 C GLY A 404 17.244 15.244 -18.393 1.00 0.00 C ATOM 33 O GLY A 404 18.463 15.127 -18.275 1.00 0.00 O ATOM 0 H GLY A 404 15.429 16.764 -17.566 1.00 0.00 H new ATOM 0 HA2 GLY A 404 16.200 15.951 -20.120 1.00 0.00 H new ATOM 0 HA3 GLY A 404 17.450 17.035 -19.544 1.00 0.00 H new ATOM 37 N SER A 405 16.378 14.416 -17.816 1.00 0.00 N ATOM 38 CA SER A 405 16.822 13.300 -16.990 1.00 0.00 C ATOM 39 C SER A 405 15.648 12.400 -16.616 1.00 0.00 C ATOM 40 O SER A 405 14.589 12.880 -16.210 1.00 0.00 O ATOM 41 CB SER A 405 17.508 13.816 -15.724 1.00 0.00 C ATOM 42 OG SER A 405 17.889 12.745 -14.878 1.00 0.00 O ATOM 0 H SER A 405 15.365 14.498 -17.906 1.00 0.00 H new ATOM 0 HA SER A 405 17.536 12.714 -17.568 1.00 0.00 H new ATOM 0 HB2 SER A 405 18.388 14.400 -15.995 1.00 0.00 H new ATOM 0 HB3 SER A 405 16.834 14.485 -15.188 1.00 0.00 H new ATOM 0 HG SER A 405 18.327 13.101 -14.077 1.00 0.00 H new ATOM 48 N SER A 406 15.844 11.093 -16.755 1.00 0.00 N ATOM 49 CA SER A 406 14.801 10.125 -16.436 1.00 0.00 C ATOM 50 C SER A 406 15.397 8.876 -15.794 1.00 0.00 C ATOM 51 O SER A 406 16.344 8.289 -16.315 1.00 0.00 O ATOM 52 CB SER A 406 14.026 9.744 -17.698 1.00 0.00 C ATOM 53 OG SER A 406 12.779 9.154 -17.373 1.00 0.00 O ATOM 0 H SER A 406 16.716 10.680 -17.086 1.00 0.00 H new ATOM 0 HA SER A 406 14.117 10.587 -15.724 1.00 0.00 H new ATOM 0 HB2 SER A 406 13.863 10.631 -18.310 1.00 0.00 H new ATOM 0 HB3 SER A 406 14.616 9.049 -18.295 1.00 0.00 H new ATOM 0 HG SER A 406 12.303 8.921 -18.197 1.00 0.00 H new ATOM 59 N GLY A 407 14.834 8.475 -14.658 1.00 0.00 N ATOM 60 CA GLY A 407 15.322 7.299 -13.963 1.00 0.00 C ATOM 61 C GLY A 407 14.273 6.683 -13.059 1.00 0.00 C ATOM 62 O GLY A 407 13.848 7.298 -12.081 1.00 0.00 O ATOM 0 H GLY A 407 14.049 8.944 -14.207 1.00 0.00 H new ATOM 0 HA2 GLY A 407 15.648 6.558 -14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 407 16.196 7.568 -13.370 1.00 0.00 H new ATOM 66 N SER A 408 13.853 5.465 -13.386 1.00 0.00 N ATOM 67 CA SER A 408 12.842 4.768 -12.599 1.00 0.00 C ATOM 68 C SER A 408 13.432 4.257 -11.288 1.00 0.00 C ATOM 69 O SER A 408 12.799 4.339 -10.236 1.00 0.00 O ATOM 70 CB SER A 408 12.259 3.601 -13.398 1.00 0.00 C ATOM 71 OG SER A 408 11.449 4.066 -14.463 1.00 0.00 O ATOM 0 H SER A 408 14.197 4.940 -14.190 1.00 0.00 H new ATOM 0 HA SER A 408 12.045 5.475 -12.368 1.00 0.00 H new ATOM 0 HB2 SER A 408 13.068 2.987 -13.794 1.00 0.00 H new ATOM 0 HB3 SER A 408 11.669 2.964 -12.739 1.00 0.00 H new ATOM 0 HG SER A 408 11.090 3.301 -14.959 1.00 0.00 H new ATOM 77 N VAL A 409 14.650 3.730 -11.360 1.00 0.00 N ATOM 78 CA VAL A 409 15.328 3.206 -10.180 1.00 0.00 C ATOM 79 C VAL A 409 14.325 2.691 -9.154 1.00 0.00 C ATOM 80 O VAL A 409 14.426 2.993 -7.966 1.00 0.00 O ATOM 81 CB VAL A 409 16.215 4.278 -9.520 1.00 0.00 C ATOM 82 CG1 VAL A 409 17.123 4.930 -10.553 1.00 0.00 C ATOM 83 CG2 VAL A 409 15.358 5.321 -8.818 1.00 0.00 C ATOM 0 H VAL A 409 15.188 3.655 -12.223 1.00 0.00 H new ATOM 0 HA VAL A 409 15.957 2.381 -10.516 1.00 0.00 H new ATOM 0 HB VAL A 409 16.843 3.794 -8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 409 17.742 5.685 -10.068 1.00 0.00 H new ATOM 0 HG12 VAL A 409 17.762 4.172 -11.006 1.00 0.00 H new ATOM 0 HG13 VAL A 409 16.516 5.401 -11.326 1.00 0.00 H new ATOM 0 HG21 VAL A 409 16.002 6.070 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 409 14.703 5.802 -9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 409 14.755 4.839 -8.049 1.00 0.00 H new ATOM 93 N GLY A 410 13.356 1.910 -9.622 1.00 0.00 N ATOM 94 CA GLY A 410 12.348 1.364 -8.732 1.00 0.00 C ATOM 95 C GLY A 410 11.036 1.091 -9.440 1.00 0.00 C ATOM 96 O GLY A 410 10.900 1.353 -10.636 1.00 0.00 O ATOM 0 H GLY A 410 13.251 1.646 -10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 410 12.719 0.438 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 410 12.176 2.061 -7.911 1.00 0.00 H new ATOM 100 N LYS A 411 10.066 0.562 -8.702 1.00 0.00 N ATOM 101 CA LYS A 411 8.757 0.252 -9.265 1.00 0.00 C ATOM 102 C LYS A 411 8.242 1.410 -10.114 1.00 0.00 C ATOM 103 O LYS A 411 8.027 2.520 -9.627 1.00 0.00 O ATOM 104 CB LYS A 411 7.759 -0.059 -8.148 1.00 0.00 C ATOM 105 CG LYS A 411 7.927 -1.445 -7.551 1.00 0.00 C ATOM 106 CD LYS A 411 9.160 -1.526 -6.667 1.00 0.00 C ATOM 107 CE LYS A 411 9.115 -2.743 -5.756 1.00 0.00 C ATOM 108 NZ LYS A 411 7.968 -2.685 -4.809 1.00 0.00 N ATOM 0 H LYS A 411 10.162 0.339 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 411 8.862 -0.625 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 411 7.868 0.684 -7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 411 6.746 0.039 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.042 -1.700 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.004 -2.180 -8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.053 -1.570 -7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 411 9.236 -0.621 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.041 -3.647 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.047 -2.811 -5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.178 -3.267 -3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 7.811 -1.700 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 7.113 -3.047 -5.277 1.00 0.00 H new ATOM 122 N PRO A 412 8.038 1.147 -11.413 1.00 0.00 N ATOM 123 CA PRO A 412 7.543 2.155 -12.356 1.00 0.00 C ATOM 124 C PRO A 412 6.086 2.523 -12.100 1.00 0.00 C ATOM 125 O PRO A 412 5.730 3.701 -12.065 1.00 0.00 O ATOM 126 CB PRO A 412 7.691 1.470 -13.717 1.00 0.00 C ATOM 127 CG PRO A 412 7.638 0.012 -13.415 1.00 0.00 C ATOM 128 CD PRO A 412 8.273 -0.153 -12.062 1.00 0.00 C ATOM 0 HA PRO A 412 8.091 3.094 -12.274 1.00 0.00 H new ATOM 0 HB2 PRO A 412 6.891 1.763 -14.397 1.00 0.00 H new ATOM 0 HB3 PRO A 412 8.632 1.741 -14.196 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.609 -0.349 -13.410 1.00 0.00 H new ATOM 0 HG3 PRO A 412 8.174 -0.563 -14.170 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.818 -0.970 -11.502 1.00 0.00 H new ATOM 0 HD3 PRO A 412 9.337 -0.375 -12.142 1.00 0.00 H new ATOM 136 N TYR A 413 5.247 1.508 -11.923 1.00 0.00 N ATOM 137 CA TYR A 413 3.827 1.725 -11.672 1.00 0.00 C ATOM 138 C TYR A 413 3.614 2.484 -10.366 1.00 0.00 C ATOM 139 O TYR A 413 3.587 1.890 -9.287 1.00 0.00 O ATOM 140 CB TYR A 413 3.086 0.388 -11.624 1.00 0.00 C ATOM 141 CG TYR A 413 3.102 -0.361 -12.938 1.00 0.00 C ATOM 142 CD1 TYR A 413 3.819 0.121 -14.026 1.00 0.00 C ATOM 143 CD2 TYR A 413 2.401 -1.550 -13.090 1.00 0.00 C ATOM 144 CE1 TYR A 413 3.836 -0.559 -15.228 1.00 0.00 C ATOM 145 CE2 TYR A 413 2.413 -2.238 -14.289 1.00 0.00 C ATOM 146 CZ TYR A 413 3.132 -1.738 -15.354 1.00 0.00 C ATOM 147 OH TYR A 413 3.147 -2.419 -16.550 1.00 0.00 O ATOM 0 H TYR A 413 5.526 0.527 -11.949 1.00 0.00 H new ATOM 0 HA TYR A 413 3.428 2.325 -12.489 1.00 0.00 H new ATOM 0 HB2 TYR A 413 3.534 -0.239 -10.853 1.00 0.00 H new ATOM 0 HB3 TYR A 413 2.052 0.566 -11.329 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.373 1.043 -13.930 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.837 -1.944 -12.257 1.00 0.00 H new ATOM 0 HE1 TYR A 413 4.397 -0.170 -16.064 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.863 -3.162 -14.391 1.00 0.00 H new ATOM 0 HH TYR A 413 2.602 -3.230 -16.472 1.00 0.00 H new ATOM 157 N ILE A 414 3.464 3.800 -10.472 1.00 0.00 N ATOM 158 CA ILE A 414 3.252 4.641 -9.300 1.00 0.00 C ATOM 159 C ILE A 414 1.802 5.105 -9.212 1.00 0.00 C ATOM 160 O ILE A 414 1.228 5.576 -10.194 1.00 0.00 O ATOM 161 CB ILE A 414 4.174 5.874 -9.318 1.00 0.00 C ATOM 162 CG1 ILE A 414 5.641 5.441 -9.341 1.00 0.00 C ATOM 163 CG2 ILE A 414 3.896 6.760 -8.113 1.00 0.00 C ATOM 164 CD1 ILE A 414 5.986 4.419 -8.281 1.00 0.00 C ATOM 0 H ILE A 414 3.485 4.307 -11.357 1.00 0.00 H new ATOM 0 HA ILE A 414 3.490 4.033 -8.427 1.00 0.00 H new ATOM 0 HB ILE A 414 3.971 6.449 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.874 5.028 -10.322 1.00 0.00 H new ATOM 0 HG13 ILE A 414 6.273 6.319 -9.207 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.555 7.628 -8.139 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.858 7.092 -8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 414 4.075 6.196 -7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 414 7.042 4.158 -8.357 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.785 4.836 -7.294 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.380 3.525 -8.427 1.00 0.00 H new ATOM 176 N CYS A 415 1.214 4.970 -8.028 1.00 0.00 N ATOM 177 CA CYS A 415 -0.169 5.376 -7.809 1.00 0.00 C ATOM 178 C CYS A 415 -0.364 6.849 -8.156 1.00 0.00 C ATOM 179 O CYS A 415 0.354 7.715 -7.656 1.00 0.00 O ATOM 180 CB CYS A 415 -0.572 5.126 -6.355 1.00 0.00 C ATOM 181 SG CYS A 415 -2.366 5.216 -6.054 1.00 0.00 S ATOM 0 H CYS A 415 1.674 4.582 -7.205 1.00 0.00 H new ATOM 0 HA CYS A 415 -0.805 4.779 -8.463 1.00 0.00 H new ATOM 0 HB2 CYS A 415 -0.213 4.142 -6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 415 -0.071 5.856 -5.720 1.00 0.00 H new ATOM 186 N GLN A 416 -1.341 7.125 -9.014 1.00 0.00 N ATOM 187 CA GLN A 416 -1.630 8.493 -9.428 1.00 0.00 C ATOM 188 C GLN A 416 -2.582 9.169 -8.446 1.00 0.00 C ATOM 189 O GLN A 416 -3.247 10.147 -8.785 1.00 0.00 O ATOM 190 CB GLN A 416 -2.235 8.506 -10.833 1.00 0.00 C ATOM 191 CG GLN A 416 -1.295 7.975 -11.904 1.00 0.00 C ATOM 192 CD GLN A 416 -0.298 9.015 -12.373 1.00 0.00 C ATOM 193 OE1 GLN A 416 -0.586 9.810 -13.269 1.00 0.00 O ATOM 194 NE2 GLN A 416 0.885 9.016 -11.769 1.00 0.00 N ATOM 0 H GLN A 416 -1.945 6.420 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 416 -0.692 9.049 -9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 416 -3.147 7.909 -10.833 1.00 0.00 H new ATOM 0 HB3 GLN A 416 -2.522 9.526 -11.087 1.00 0.00 H new ATOM 0 HG2 GLN A 416 -0.757 7.111 -11.514 1.00 0.00 H new ATOM 0 HG3 GLN A 416 -1.880 7.628 -12.756 1.00 0.00 H new ATOM 0 HE21 GLN A 416 1.082 8.340 -11.031 1.00 0.00 H new ATOM 0 HE22 GLN A 416 1.597 9.693 -12.043 1.00 0.00 H new ATOM 203 N SER A 417 -2.641 8.640 -7.228 1.00 0.00 N ATOM 204 CA SER A 417 -3.515 9.190 -6.198 1.00 0.00 C ATOM 205 C SER A 417 -2.703 9.687 -5.006 1.00 0.00 C ATOM 206 O SER A 417 -2.806 10.849 -4.610 1.00 0.00 O ATOM 207 CB SER A 417 -4.523 8.135 -5.738 1.00 0.00 C ATOM 208 OG SER A 417 -5.708 8.190 -6.514 1.00 0.00 O ATOM 0 H SER A 417 -2.094 7.832 -6.930 1.00 0.00 H new ATOM 0 HA SER A 417 -4.054 10.035 -6.627 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.078 7.143 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.765 8.292 -4.687 1.00 0.00 H new ATOM 0 HG SER A 417 -6.336 7.505 -6.202 1.00 0.00 H new ATOM 214 N CYS A 418 -1.894 8.799 -4.437 1.00 0.00 N ATOM 215 CA CYS A 418 -1.064 9.145 -3.290 1.00 0.00 C ATOM 216 C CYS A 418 0.402 9.268 -3.697 1.00 0.00 C ATOM 217 O CYS A 418 1.091 10.207 -3.299 1.00 0.00 O ATOM 218 CB CYS A 418 -1.212 8.092 -2.190 1.00 0.00 C ATOM 219 SG CYS A 418 -0.765 6.404 -2.711 1.00 0.00 S ATOM 0 H CYS A 418 -1.796 7.834 -4.752 1.00 0.00 H new ATOM 0 HA CYS A 418 -1.400 10.109 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -0.588 8.377 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -2.244 8.091 -1.839 1.00 0.00 H new ATOM 224 N GLY A 419 0.872 8.313 -4.493 1.00 0.00 N ATOM 225 CA GLY A 419 2.252 8.333 -4.941 1.00 0.00 C ATOM 226 C GLY A 419 2.965 7.021 -4.679 1.00 0.00 C ATOM 227 O GLY A 419 4.184 6.927 -4.830 1.00 0.00 O ATOM 0 H GLY A 419 0.322 7.526 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 419 2.281 8.552 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 419 2.783 9.139 -4.435 1.00 0.00 H new ATOM 231 N LYS A 420 2.206 6.005 -4.283 1.00 0.00 N ATOM 232 CA LYS A 420 2.772 4.692 -3.998 1.00 0.00 C ATOM 233 C LYS A 420 3.398 4.086 -5.251 1.00 0.00 C ATOM 234 O LYS A 420 3.385 4.695 -6.320 1.00 0.00 O ATOM 235 CB LYS A 420 1.692 3.756 -3.451 1.00 0.00 C ATOM 236 CG LYS A 420 1.563 3.795 -1.938 1.00 0.00 C ATOM 237 CD LYS A 420 0.913 2.530 -1.402 1.00 0.00 C ATOM 238 CE LYS A 420 0.559 2.668 0.071 1.00 0.00 C ATOM 239 NZ LYS A 420 1.763 2.919 0.910 1.00 0.00 N ATOM 0 H LYS A 420 1.196 6.066 -4.152 1.00 0.00 H new ATOM 0 HA LYS A 420 3.552 4.815 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.733 4.022 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 420 1.916 2.736 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.550 3.916 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 420 0.971 4.662 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 420 0.012 2.311 -1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.590 1.686 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -0.150 3.486 0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 420 0.062 1.760 0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 1.498 2.889 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 2.478 2.189 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 2.155 3.855 0.683 1.00 0.00 H new ATOM 253 N GLY A 421 3.944 2.882 -5.111 1.00 0.00 N ATOM 254 CA GLY A 421 4.566 2.214 -6.239 1.00 0.00 C ATOM 255 C GLY A 421 4.396 0.708 -6.187 1.00 0.00 C ATOM 256 O GLY A 421 4.406 0.112 -5.109 1.00 0.00 O ATOM 0 H GLY A 421 3.967 2.357 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 421 4.134 2.593 -7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 421 5.629 2.456 -6.260 1.00 0.00 H new ATOM 260 N PHE A 422 4.238 0.092 -7.353 1.00 0.00 N ATOM 261 CA PHE A 422 4.062 -1.354 -7.436 1.00 0.00 C ATOM 262 C PHE A 422 4.847 -1.931 -8.610 1.00 0.00 C ATOM 263 O PHE A 422 5.224 -1.209 -9.533 1.00 0.00 O ATOM 264 CB PHE A 422 2.579 -1.701 -7.580 1.00 0.00 C ATOM 265 CG PHE A 422 1.741 -1.245 -6.419 1.00 0.00 C ATOM 266 CD1 PHE A 422 1.534 0.105 -6.186 1.00 0.00 C ATOM 267 CD2 PHE A 422 1.161 -2.166 -5.563 1.00 0.00 C ATOM 268 CE1 PHE A 422 0.764 0.527 -5.118 1.00 0.00 C ATOM 269 CE2 PHE A 422 0.390 -1.750 -4.494 1.00 0.00 C ATOM 270 CZ PHE A 422 0.190 -0.401 -4.272 1.00 0.00 C ATOM 0 H PHE A 422 4.228 0.571 -8.254 1.00 0.00 H new ATOM 0 HA PHE A 422 4.444 -1.795 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 422 2.195 -1.249 -8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.476 -2.780 -7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 422 1.979 0.835 -6.846 1.00 0.00 H new ATOM 0 HD2 PHE A 422 1.313 -3.222 -5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 422 0.612 1.582 -4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 422 -0.056 -2.479 -3.833 1.00 0.00 H new ATOM 0 HZ PHE A 422 -0.414 -0.073 -3.439 1.00 0.00 H new ATOM 280 N SER A 423 5.091 -3.237 -8.567 1.00 0.00 N ATOM 281 CA SER A 423 5.834 -3.911 -9.625 1.00 0.00 C ATOM 282 C SER A 423 4.890 -4.449 -10.695 1.00 0.00 C ATOM 283 O SER A 423 5.236 -4.497 -11.876 1.00 0.00 O ATOM 284 CB SER A 423 6.667 -5.055 -9.042 1.00 0.00 C ATOM 285 OG SER A 423 7.741 -4.558 -8.262 1.00 0.00 O ATOM 0 H SER A 423 4.785 -3.849 -7.811 1.00 0.00 H new ATOM 0 HA SER A 423 6.501 -3.183 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 423 6.033 -5.694 -8.428 1.00 0.00 H new ATOM 0 HB3 SER A 423 7.056 -5.674 -9.850 1.00 0.00 H new ATOM 0 HG SER A 423 8.257 -5.308 -7.900 1.00 0.00 H new ATOM 291 N ARG A 424 3.696 -4.851 -10.274 1.00 0.00 N ATOM 292 CA ARG A 424 2.701 -5.387 -11.195 1.00 0.00 C ATOM 293 C ARG A 424 1.521 -4.430 -11.338 1.00 0.00 C ATOM 294 O ARG A 424 1.227 -3.631 -10.448 1.00 0.00 O ATOM 295 CB ARG A 424 2.208 -6.752 -10.711 1.00 0.00 C ATOM 296 CG ARG A 424 3.275 -7.834 -10.753 1.00 0.00 C ATOM 297 CD ARG A 424 2.662 -9.224 -10.691 1.00 0.00 C ATOM 298 NE ARG A 424 3.490 -10.219 -11.366 1.00 0.00 N ATOM 299 CZ ARG A 424 3.487 -10.406 -12.682 1.00 0.00 C ATOM 300 NH1 ARG A 424 2.704 -9.670 -13.458 1.00 0.00 N ATOM 301 NH2 ARG A 424 4.269 -11.332 -13.223 1.00 0.00 N ATOM 0 H ARG A 424 3.394 -4.816 -9.300 1.00 0.00 H new ATOM 0 HA ARG A 424 3.173 -5.504 -12.171 1.00 0.00 H new ATOM 0 HB2 ARG A 424 1.841 -6.655 -9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 424 1.363 -7.063 -11.325 1.00 0.00 H new ATOM 0 HG2 ARG A 424 3.860 -7.734 -11.667 1.00 0.00 H new ATOM 0 HG3 ARG A 424 3.963 -7.701 -9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 424 2.525 -9.513 -9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 424 1.673 -9.205 -11.149 1.00 0.00 H new ATOM 0 HE ARG A 424 4.104 -10.802 -10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 424 2.102 -8.958 -13.046 1.00 0.00 H new ATOM 0 HH12 ARG A 424 2.704 -9.816 -14.468 1.00 0.00 H new ATOM 0 HH21 ARG A 424 4.873 -11.900 -12.629 1.00 0.00 H new ATOM 0 HH22 ARG A 424 4.266 -11.475 -14.233 1.00 0.00 H new ATOM 315 N PRO A 425 0.828 -4.510 -12.484 1.00 0.00 N ATOM 316 CA PRO A 425 -0.330 -3.659 -12.770 1.00 0.00 C ATOM 317 C PRO A 425 -1.535 -4.009 -11.903 1.00 0.00 C ATOM 318 O PRO A 425 -2.224 -3.124 -11.394 1.00 0.00 O ATOM 319 CB PRO A 425 -0.629 -3.949 -14.242 1.00 0.00 C ATOM 320 CG PRO A 425 -0.084 -5.316 -14.477 1.00 0.00 C ATOM 321 CD PRO A 425 1.123 -5.438 -13.588 1.00 0.00 C ATOM 0 HA PRO A 425 -0.125 -2.609 -12.561 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -1.699 -3.909 -14.444 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -0.154 -3.216 -14.894 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -0.825 -6.078 -14.236 1.00 0.00 H new ATOM 0 HG3 PRO A 425 0.187 -5.454 -15.524 1.00 0.00 H new ATOM 0 HD2 PRO A 425 1.257 -6.459 -13.230 1.00 0.00 H new ATOM 0 HD3 PRO A 425 2.038 -5.161 -14.112 1.00 0.00 H new ATOM 329 N ASP A 426 -1.783 -5.303 -11.738 1.00 0.00 N ATOM 330 CA ASP A 426 -2.904 -5.770 -10.930 1.00 0.00 C ATOM 331 C ASP A 426 -2.696 -5.424 -9.459 1.00 0.00 C ATOM 332 O ASP A 426 -3.639 -5.058 -8.757 1.00 0.00 O ATOM 333 CB ASP A 426 -3.082 -7.281 -11.091 1.00 0.00 C ATOM 334 CG ASP A 426 -4.291 -7.805 -10.342 1.00 0.00 C ATOM 335 OD1 ASP A 426 -4.608 -7.252 -9.268 1.00 0.00 O ATOM 336 OD2 ASP A 426 -4.920 -8.767 -10.829 1.00 0.00 O ATOM 0 H ASP A 426 -1.223 -6.048 -12.153 1.00 0.00 H new ATOM 0 HA ASP A 426 -3.805 -5.266 -11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.182 -7.521 -12.149 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.187 -7.790 -10.732 1.00 0.00 H new ATOM 341 N HIS A 427 -1.455 -5.542 -8.998 1.00 0.00 N ATOM 342 CA HIS A 427 -1.123 -5.242 -7.610 1.00 0.00 C ATOM 343 C HIS A 427 -1.501 -3.806 -7.260 1.00 0.00 C ATOM 344 O HIS A 427 -2.155 -3.555 -6.246 1.00 0.00 O ATOM 345 CB HIS A 427 0.369 -5.464 -7.361 1.00 0.00 C ATOM 346 CG HIS A 427 0.761 -6.909 -7.320 1.00 0.00 C ATOM 347 ND1 HIS A 427 2.057 -7.343 -7.505 1.00 0.00 N ATOM 348 CD2 HIS A 427 0.019 -8.022 -7.113 1.00 0.00 C ATOM 349 CE1 HIS A 427 2.095 -8.661 -7.414 1.00 0.00 C ATOM 350 NE2 HIS A 427 0.871 -9.097 -7.177 1.00 0.00 N ATOM 0 H HIS A 427 -0.663 -5.843 -9.565 1.00 0.00 H new ATOM 0 HA HIS A 427 -1.694 -5.916 -6.971 1.00 0.00 H new ATOM 0 HB2 HIS A 427 0.938 -4.964 -8.145 1.00 0.00 H new ATOM 0 HB3 HIS A 427 0.645 -4.994 -6.417 1.00 0.00 H new ATOM 0 HD2 HIS A 427 -1.045 -8.058 -6.931 1.00 0.00 H new ATOM 0 HE1 HIS A 427 2.977 -9.276 -7.516 1.00 0.00 H new ATOM 0 HE2 HIS A 427 0.602 -10.074 -7.060 1.00 0.00 H new ATOM 358 N LEU A 428 -1.085 -2.868 -8.103 1.00 0.00 N ATOM 359 CA LEU A 428 -1.380 -1.456 -7.882 1.00 0.00 C ATOM 360 C LEU A 428 -2.882 -1.198 -7.934 1.00 0.00 C ATOM 361 O LEU A 428 -3.429 -0.485 -7.094 1.00 0.00 O ATOM 362 CB LEU A 428 -0.667 -0.596 -8.927 1.00 0.00 C ATOM 363 CG LEU A 428 -1.266 0.788 -9.180 1.00 0.00 C ATOM 364 CD1 LEU A 428 -1.179 1.644 -7.926 1.00 0.00 C ATOM 365 CD2 LEU A 428 -0.562 1.469 -10.344 1.00 0.00 C ATOM 0 H LEU A 428 -0.543 -3.059 -8.946 1.00 0.00 H new ATOM 0 HA LEU A 428 -1.018 -1.186 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.371 -0.470 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.654 -1.142 -9.870 1.00 0.00 H new ATOM 0 HG LEU A 428 -2.318 0.666 -9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.610 2.625 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -1.730 1.163 -7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 428 -0.135 1.758 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 428 -1.001 2.453 -10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 428 0.498 1.579 -10.114 1.00 0.00 H new ATOM 0 HD23 LEU A 428 -0.677 0.864 -11.243 1.00 0.00 H new ATOM 377 N ASN A 429 -3.544 -1.787 -8.925 1.00 0.00 N ATOM 378 CA ASN A 429 -4.984 -1.622 -9.085 1.00 0.00 C ATOM 379 C ASN A 429 -5.712 -1.889 -7.771 1.00 0.00 C ATOM 380 O ASN A 429 -6.501 -1.067 -7.308 1.00 0.00 O ATOM 381 CB ASN A 429 -5.508 -2.563 -10.172 1.00 0.00 C ATOM 382 CG ASN A 429 -4.825 -2.342 -11.507 1.00 0.00 C ATOM 383 OD1 ASN A 429 -4.481 -3.294 -12.207 1.00 0.00 O ATOM 384 ND2 ASN A 429 -4.625 -1.079 -11.867 1.00 0.00 N ATOM 0 H ASN A 429 -3.107 -2.382 -9.628 1.00 0.00 H new ATOM 0 HA ASN A 429 -5.176 -0.591 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 429 -5.359 -3.596 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 429 -6.582 -2.417 -10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 429 -4.170 -0.868 -12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 429 -4.927 -0.320 -11.255 1.00 0.00 H new ATOM 391 N GLY A 430 -5.441 -3.046 -7.175 1.00 0.00 N ATOM 392 CA GLY A 430 -6.077 -3.401 -5.920 1.00 0.00 C ATOM 393 C GLY A 430 -5.982 -2.295 -4.888 1.00 0.00 C ATOM 394 O GLY A 430 -6.956 -1.995 -4.197 1.00 0.00 O ATOM 0 H GLY A 430 -4.792 -3.744 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -7.126 -3.635 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -5.613 -4.304 -5.524 1.00 0.00 H new ATOM 398 N HIS A 431 -4.804 -1.687 -4.781 1.00 0.00 N ATOM 399 CA HIS A 431 -4.585 -0.608 -3.825 1.00 0.00 C ATOM 400 C HIS A 431 -5.469 0.593 -4.149 1.00 0.00 C ATOM 401 O HIS A 431 -6.022 1.229 -3.251 1.00 0.00 O ATOM 402 CB HIS A 431 -3.115 -0.188 -3.826 1.00 0.00 C ATOM 403 CG HIS A 431 -2.898 1.234 -3.411 1.00 0.00 C ATOM 404 ND1 HIS A 431 -2.819 1.630 -2.092 1.00 0.00 N ATOM 405 CD2 HIS A 431 -2.740 2.358 -4.150 1.00 0.00 C ATOM 406 CE1 HIS A 431 -2.625 2.936 -2.038 1.00 0.00 C ATOM 407 NE2 HIS A 431 -2.573 3.401 -3.273 1.00 0.00 N ATOM 0 H HIS A 431 -3.987 -1.924 -5.344 1.00 0.00 H new ATOM 0 HA HIS A 431 -4.850 -0.975 -2.834 1.00 0.00 H new ATOM 0 HB2 HIS A 431 -2.558 -0.842 -3.155 1.00 0.00 H new ATOM 0 HB3 HIS A 431 -2.705 -0.333 -4.826 1.00 0.00 H new ATOM 0 HD1 HIS A 431 -2.898 1.012 -1.285 1.00 0.00 H new ATOM 0 HD2 HIS A 431 -2.745 2.422 -5.228 1.00 0.00 H new ATOM 0 HE1 HIS A 431 -2.526 3.523 -1.137 1.00 0.00 H new ATOM 415 N ILE A 432 -5.597 0.897 -5.436 1.00 0.00 N ATOM 416 CA ILE A 432 -6.414 2.021 -5.877 1.00 0.00 C ATOM 417 C ILE A 432 -7.900 1.694 -5.775 1.00 0.00 C ATOM 418 O ILE A 432 -8.745 2.590 -5.764 1.00 0.00 O ATOM 419 CB ILE A 432 -6.086 2.420 -7.328 1.00 0.00 C ATOM 420 CG1 ILE A 432 -4.573 2.551 -7.514 1.00 0.00 C ATOM 421 CG2 ILE A 432 -6.784 3.722 -7.690 1.00 0.00 C ATOM 422 CD1 ILE A 432 -4.171 2.984 -8.907 1.00 0.00 C ATOM 0 H ILE A 432 -5.146 0.381 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 432 -6.182 2.857 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 432 -6.449 1.638 -7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -4.187 3.272 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -4.103 1.593 -7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -6.542 3.991 -8.718 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -7.862 3.596 -7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -6.448 4.513 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 432 -3.085 3.056 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -4.526 2.252 -9.632 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -4.612 3.956 -9.127 1.00 0.00 H new ATOM 434 N LYS A 433 -8.212 0.405 -5.698 1.00 0.00 N ATOM 435 CA LYS A 433 -9.596 -0.042 -5.593 1.00 0.00 C ATOM 436 C LYS A 433 -9.881 -0.608 -4.206 1.00 0.00 C ATOM 437 O LYS A 433 -10.994 -1.054 -3.925 1.00 0.00 O ATOM 438 CB LYS A 433 -9.894 -1.100 -6.659 1.00 0.00 C ATOM 439 CG LYS A 433 -11.171 -1.880 -6.400 1.00 0.00 C ATOM 440 CD LYS A 433 -11.612 -2.652 -7.633 1.00 0.00 C ATOM 441 CE LYS A 433 -12.916 -3.396 -7.388 1.00 0.00 C ATOM 442 NZ LYS A 433 -14.084 -2.472 -7.353 1.00 0.00 N ATOM 0 H LYS A 433 -7.525 -0.349 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 433 -10.243 0.820 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -9.966 -0.614 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -9.057 -1.796 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -11.014 -2.572 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -11.962 -1.194 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -11.736 -1.964 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.835 -3.362 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -13.064 -4.138 -8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -12.853 -3.938 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -14.960 -3.023 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -13.989 -1.822 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -14.120 -1.924 -8.236 1.00 0.00 H new ATOM 456 N GLN A 434 -8.871 -0.586 -3.343 1.00 0.00 N ATOM 457 CA GLN A 434 -9.014 -1.097 -1.985 1.00 0.00 C ATOM 458 C GLN A 434 -8.754 0.002 -0.960 1.00 0.00 C ATOM 459 O GLN A 434 -9.254 -0.052 0.164 1.00 0.00 O ATOM 460 CB GLN A 434 -8.055 -2.265 -1.753 1.00 0.00 C ATOM 461 CG GLN A 434 -8.143 -2.856 -0.355 1.00 0.00 C ATOM 462 CD GLN A 434 -9.506 -3.447 -0.056 1.00 0.00 C ATOM 463 OE1 GLN A 434 -10.226 -3.868 -0.962 1.00 0.00 O ATOM 464 NE2 GLN A 434 -9.870 -3.481 1.221 1.00 0.00 N ATOM 0 H GLN A 434 -7.944 -0.220 -3.560 1.00 0.00 H new ATOM 0 HA GLN A 434 -10.038 -1.448 -1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -8.265 -3.047 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -7.034 -1.927 -1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -7.383 -3.630 -0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -7.919 -2.081 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -9.242 -3.121 1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -10.777 -3.867 1.483 1.00 0.00 H new ATOM 473 N VAL A 435 -7.968 0.998 -1.354 1.00 0.00 N ATOM 474 CA VAL A 435 -7.642 2.111 -0.470 1.00 0.00 C ATOM 475 C VAL A 435 -8.185 3.426 -1.017 1.00 0.00 C ATOM 476 O VAL A 435 -8.691 4.261 -0.267 1.00 0.00 O ATOM 477 CB VAL A 435 -6.120 2.240 -0.269 1.00 0.00 C ATOM 478 CG1 VAL A 435 -5.809 3.263 0.813 1.00 0.00 C ATOM 479 CG2 VAL A 435 -5.511 0.889 0.074 1.00 0.00 C ATOM 0 H VAL A 435 -7.545 1.057 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 435 -8.112 1.900 0.491 1.00 0.00 H new ATOM 0 HB VAL A 435 -5.677 2.587 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -4.729 3.340 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -6.211 4.234 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -6.264 2.949 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -4.435 0.999 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -5.958 0.511 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.702 0.187 -0.738 1.00 0.00 H new ATOM 489 N HIS A 436 -8.077 3.603 -2.330 1.00 0.00 N ATOM 490 CA HIS A 436 -8.559 4.817 -2.980 1.00 0.00 C ATOM 491 C HIS A 436 -9.995 4.641 -3.463 1.00 0.00 C ATOM 492 O HIS A 436 -10.527 5.486 -4.184 1.00 0.00 O ATOM 493 CB HIS A 436 -7.654 5.185 -4.156 1.00 0.00 C ATOM 494 CG HIS A 436 -6.306 5.689 -3.740 1.00 0.00 C ATOM 495 ND1 HIS A 436 -6.133 6.770 -2.900 1.00 0.00 N ATOM 496 CD2 HIS A 436 -5.063 5.253 -4.051 1.00 0.00 C ATOM 497 CE1 HIS A 436 -4.842 6.978 -2.715 1.00 0.00 C ATOM 498 NE2 HIS A 436 -4.171 6.071 -3.402 1.00 0.00 N ATOM 0 H HIS A 436 -7.660 2.922 -2.965 1.00 0.00 H new ATOM 0 HA HIS A 436 -8.537 5.625 -2.248 1.00 0.00 H new ATOM 0 HB2 HIS A 436 -7.525 4.309 -4.792 1.00 0.00 H new ATOM 0 HB3 HIS A 436 -8.148 5.947 -4.759 1.00 0.00 H new ATOM 0 HD1 HIS A 436 -6.885 7.322 -2.487 1.00 0.00 H new ATOM 0 HD2 HIS A 436 -4.818 4.418 -4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 436 -4.409 7.757 -2.106 1.00 0.00 H new ATOM 506 N THR A 437 -10.619 3.537 -3.063 1.00 0.00 N ATOM 507 CA THR A 437 -11.992 3.249 -3.457 1.00 0.00 C ATOM 508 C THR A 437 -12.985 3.873 -2.483 1.00 0.00 C ATOM 509 O THR A 437 -14.030 4.382 -2.889 1.00 0.00 O ATOM 510 CB THR A 437 -12.248 1.733 -3.532 1.00 0.00 C ATOM 511 OG1 THR A 437 -13.650 1.480 -3.684 1.00 0.00 O ATOM 512 CG2 THR A 437 -11.734 1.034 -2.283 1.00 0.00 C ATOM 0 H THR A 437 -10.194 2.827 -2.466 1.00 0.00 H new ATOM 0 HA THR A 437 -12.135 3.683 -4.446 1.00 0.00 H new ATOM 0 HB THR A 437 -11.712 1.339 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 437 -13.805 0.513 -3.732 1.00 0.00 H new ATOM 0 HG21 THR A 437 -11.926 -0.036 -2.360 1.00 0.00 H new ATOM 0 HG22 THR A 437 -10.662 1.204 -2.186 1.00 0.00 H new ATOM 0 HG23 THR A 437 -12.245 1.433 -1.407 1.00 0.00 H new ATOM 520 N SER A 438 -12.652 3.831 -1.197 1.00 0.00 N ATOM 521 CA SER A 438 -13.518 4.390 -0.165 1.00 0.00 C ATOM 522 C SER A 438 -13.905 5.827 -0.500 1.00 0.00 C ATOM 523 O SER A 438 -13.052 6.710 -0.571 1.00 0.00 O ATOM 524 CB SER A 438 -12.820 4.342 1.196 1.00 0.00 C ATOM 525 OG SER A 438 -12.556 3.006 1.588 1.00 0.00 O ATOM 0 H SER A 438 -11.789 3.416 -0.845 1.00 0.00 H new ATOM 0 HA SER A 438 -14.426 3.789 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 438 -11.886 4.902 1.149 1.00 0.00 H new ATOM 0 HB3 SER A 438 -13.445 4.827 1.946 1.00 0.00 H new ATOM 0 HG SER A 438 -12.108 3.003 2.460 1.00 0.00 H new ATOM 531 N GLU A 439 -15.199 6.052 -0.706 1.00 0.00 N ATOM 532 CA GLU A 439 -15.700 7.381 -1.035 1.00 0.00 C ATOM 533 C GLU A 439 -15.209 8.413 -0.024 1.00 0.00 C ATOM 534 O GLU A 439 -15.138 8.139 1.174 1.00 0.00 O ATOM 535 CB GLU A 439 -17.230 7.378 -1.075 1.00 0.00 C ATOM 536 CG GLU A 439 -17.874 7.121 0.277 1.00 0.00 C ATOM 537 CD GLU A 439 -19.260 6.519 0.158 1.00 0.00 C ATOM 538 OE1 GLU A 439 -19.884 6.671 -0.913 1.00 0.00 O ATOM 539 OE2 GLU A 439 -19.721 5.895 1.137 1.00 0.00 O ATOM 0 H GLU A 439 -15.919 5.331 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 439 -15.318 7.652 -2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -17.577 8.338 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -17.565 6.616 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -17.239 6.450 0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -17.935 8.058 0.830 1.00 0.00 H new ATOM 546 N ARG A 440 -14.870 9.600 -0.516 1.00 0.00 N ATOM 547 CA ARG A 440 -14.384 10.673 0.343 1.00 0.00 C ATOM 548 C ARG A 440 -15.104 11.983 0.037 1.00 0.00 C ATOM 549 O ARG A 440 -15.601 12.203 -1.068 1.00 0.00 O ATOM 550 CB ARG A 440 -12.875 10.854 0.164 1.00 0.00 C ATOM 551 CG ARG A 440 -12.051 9.728 0.766 1.00 0.00 C ATOM 552 CD ARG A 440 -10.680 9.631 0.114 1.00 0.00 C ATOM 553 NE ARG A 440 -9.677 9.088 1.027 1.00 0.00 N ATOM 554 CZ ARG A 440 -9.044 9.817 1.939 1.00 0.00 C ATOM 555 NH1 ARG A 440 -9.308 11.111 2.060 1.00 0.00 N ATOM 556 NH2 ARG A 440 -8.144 9.251 2.734 1.00 0.00 N ATOM 0 H ARG A 440 -14.923 9.843 -1.505 1.00 0.00 H new ATOM 0 HA ARG A 440 -14.590 10.398 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -12.650 10.929 -0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -12.574 11.797 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -11.935 9.893 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -12.581 8.783 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -10.744 8.999 -0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -10.367 10.620 -0.222 1.00 0.00 H new ATOM 0 HE ARG A 440 -9.451 8.096 0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -9.999 11.550 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -8.820 11.668 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -7.938 8.256 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -7.658 9.811 3.434 1.00 0.00 H new ATOM 570 N PRO A 441 -15.162 12.874 1.038 1.00 0.00 N ATOM 571 CA PRO A 441 -15.819 14.177 0.900 1.00 0.00 C ATOM 572 C PRO A 441 -15.053 15.118 -0.023 1.00 0.00 C ATOM 573 O PRO A 441 -14.002 14.761 -0.557 1.00 0.00 O ATOM 574 CB PRO A 441 -15.829 14.722 2.331 1.00 0.00 C ATOM 575 CG PRO A 441 -14.685 14.044 3.002 1.00 0.00 C ATOM 576 CD PRO A 441 -14.591 12.678 2.381 1.00 0.00 C ATOM 0 HA PRO A 441 -16.810 14.089 0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 441 -15.709 15.805 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 441 -16.771 14.500 2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 441 -13.761 14.603 2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 441 -14.849 13.973 4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 441 -13.560 12.329 2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 441 -15.151 11.938 2.952 1.00 0.00 H new ATOM 584 N HIS A 442 -15.585 16.322 -0.208 1.00 0.00 N ATOM 585 CA HIS A 442 -14.950 17.315 -1.067 1.00 0.00 C ATOM 586 C HIS A 442 -14.774 18.639 -0.329 1.00 0.00 C ATOM 587 O HIS A 442 -15.615 19.026 0.483 1.00 0.00 O ATOM 588 CB HIS A 442 -15.779 17.530 -2.333 1.00 0.00 C ATOM 589 CG HIS A 442 -15.117 18.422 -3.338 1.00 0.00 C ATOM 590 ND1 HIS A 442 -15.137 19.799 -3.251 1.00 0.00 N ATOM 591 CD2 HIS A 442 -14.412 18.128 -4.455 1.00 0.00 C ATOM 592 CE1 HIS A 442 -14.475 20.312 -4.272 1.00 0.00 C ATOM 593 NE2 HIS A 442 -14.024 19.319 -5.018 1.00 0.00 N ATOM 0 H HIS A 442 -16.454 16.634 0.225 1.00 0.00 H new ATOM 0 HA HIS A 442 -13.965 16.941 -1.346 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -15.980 16.563 -2.794 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -16.743 17.959 -2.058 1.00 0.00 H new ATOM 0 HD1 HIS A 442 -15.592 20.337 -2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -14.195 17.140 -4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -14.327 21.364 -4.465 1.00 0.00 H new ATOM 601 N LYS A 443 -13.676 19.330 -0.616 1.00 0.00 N ATOM 602 CA LYS A 443 -13.390 20.611 0.019 1.00 0.00 C ATOM 603 C LYS A 443 -14.543 21.589 -0.183 1.00 0.00 C ATOM 604 O LYS A 443 -15.229 21.550 -1.205 1.00 0.00 O ATOM 605 CB LYS A 443 -12.097 21.205 -0.545 1.00 0.00 C ATOM 606 CG LYS A 443 -11.351 22.085 0.442 1.00 0.00 C ATOM 607 CD LYS A 443 -10.629 21.257 1.492 1.00 0.00 C ATOM 608 CE LYS A 443 -9.284 20.762 0.982 1.00 0.00 C ATOM 609 NZ LYS A 443 -9.405 19.454 0.280 1.00 0.00 N ATOM 0 H LYS A 443 -12.969 19.024 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 443 -13.267 20.439 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -11.442 20.393 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -12.333 21.790 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -10.631 22.704 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -12.052 22.762 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -10.481 21.856 2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -11.248 20.406 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -8.859 21.501 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -8.592 20.663 1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -8.698 18.791 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -10.358 19.066 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -9.243 19.590 -0.738 1.00 0.00 H new ATOM 623 N CYS A 444 -14.749 22.464 0.794 1.00 0.00 N ATOM 624 CA CYS A 444 -15.819 23.453 0.723 1.00 0.00 C ATOM 625 C CYS A 444 -15.696 24.295 -0.543 1.00 0.00 C ATOM 626 O CYS A 444 -14.791 25.120 -0.665 1.00 0.00 O ATOM 627 CB CYS A 444 -15.790 24.356 1.956 1.00 0.00 C ATOM 628 SG CYS A 444 -17.045 25.657 1.948 1.00 0.00 S ATOM 0 H CYS A 444 -14.189 22.509 1.645 1.00 0.00 H new ATOM 0 HA CYS A 444 -16.771 22.922 0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 444 -15.925 23.742 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 444 -14.805 24.817 2.033 1.00 0.00 H new ATOM 0 HG CYS A 444 -17.156 26.145 0.748 1.00 0.00 H new ATOM 634 N GLN A 445 -16.612 24.080 -1.482 1.00 0.00 N ATOM 635 CA GLN A 445 -16.605 24.818 -2.739 1.00 0.00 C ATOM 636 C GLN A 445 -16.889 26.298 -2.503 1.00 0.00 C ATOM 637 O GLN A 445 -17.160 26.717 -1.378 1.00 0.00 O ATOM 638 CB GLN A 445 -17.640 24.235 -3.703 1.00 0.00 C ATOM 639 CG GLN A 445 -17.408 22.769 -4.030 1.00 0.00 C ATOM 640 CD GLN A 445 -18.089 22.343 -5.316 1.00 0.00 C ATOM 641 OE1 GLN A 445 -19.009 21.525 -5.303 1.00 0.00 O ATOM 642 NE2 GLN A 445 -17.640 22.897 -6.435 1.00 0.00 N ATOM 0 H GLN A 445 -17.368 23.401 -1.396 1.00 0.00 H new ATOM 0 HA GLN A 445 -15.613 24.723 -3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 445 -18.633 24.349 -3.269 1.00 0.00 H new ATOM 0 HB3 GLN A 445 -17.628 24.811 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 445 -16.337 22.584 -4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 445 -17.776 22.155 -3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 445 -16.875 23.571 -6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 445 -18.060 22.649 -7.331 1.00 0.00 H new ATOM 651 N VAL A 446 -16.826 27.085 -3.572 1.00 0.00 N ATOM 652 CA VAL A 446 -17.077 28.519 -3.482 1.00 0.00 C ATOM 653 C VAL A 446 -18.556 28.803 -3.242 1.00 0.00 C ATOM 654 O VAL A 446 -19.420 28.014 -3.624 1.00 0.00 O ATOM 655 CB VAL A 446 -16.626 29.249 -4.761 1.00 0.00 C ATOM 656 CG1 VAL A 446 -17.472 28.819 -5.949 1.00 0.00 C ATOM 657 CG2 VAL A 446 -16.694 30.756 -4.565 1.00 0.00 C ATOM 0 H VAL A 446 -16.603 26.754 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 446 -16.497 28.890 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 446 -15.591 28.978 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 446 -17.138 29.346 -6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 446 -17.367 27.745 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 446 -18.518 29.058 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 446 -16.372 31.257 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 446 -17.719 31.047 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 446 -16.040 31.046 -3.742 1.00 0.00 H new ATOM 667 N TRP A 447 -18.839 29.935 -2.608 1.00 0.00 N ATOM 668 CA TRP A 447 -20.214 30.325 -2.317 1.00 0.00 C ATOM 669 C TRP A 447 -20.795 31.160 -3.453 1.00 0.00 C ATOM 670 O TRP A 447 -20.114 32.014 -4.020 1.00 0.00 O ATOM 671 CB TRP A 447 -20.277 31.110 -1.006 1.00 0.00 C ATOM 672 CG TRP A 447 -21.673 31.463 -0.592 1.00 0.00 C ATOM 673 CD1 TRP A 447 -22.395 32.553 -0.987 1.00 0.00 C ATOM 674 CD2 TRP A 447 -22.515 30.724 0.300 1.00 0.00 C ATOM 675 NE1 TRP A 447 -23.635 32.536 -0.394 1.00 0.00 N ATOM 676 CE2 TRP A 447 -23.733 31.424 0.399 1.00 0.00 C ATOM 677 CE3 TRP A 447 -22.359 29.538 1.023 1.00 0.00 C ATOM 678 CZ2 TRP A 447 -24.786 30.976 1.192 1.00 0.00 C ATOM 679 CZ3 TRP A 447 -23.405 29.095 1.810 1.00 0.00 C ATOM 680 CH2 TRP A 447 -24.606 29.812 1.889 1.00 0.00 C ATOM 0 H TRP A 447 -18.135 30.599 -2.286 1.00 0.00 H new ATOM 0 HA TRP A 447 -20.809 29.417 -2.217 1.00 0.00 H new ATOM 0 HB2 TRP A 447 -19.809 30.522 -0.216 1.00 0.00 H new ATOM 0 HB3 TRP A 447 -19.694 32.025 -1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 447 -22.043 33.316 -1.666 1.00 0.00 H new ATOM 0 HE1 TRP A 447 -24.364 33.238 -0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 447 -21.437 28.978 0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 447 -25.712 31.528 1.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 447 -23.295 28.180 2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 447 -25.405 29.439 2.512 1.00 0.00 H new ATOM 691 N VAL A 448 -22.058 30.907 -3.781 1.00 0.00 N ATOM 692 CA VAL A 448 -22.731 31.637 -4.849 1.00 0.00 C ATOM 693 C VAL A 448 -22.257 33.085 -4.909 1.00 0.00 C ATOM 694 O VAL A 448 -22.248 33.788 -3.898 1.00 0.00 O ATOM 695 CB VAL A 448 -24.260 31.617 -4.665 1.00 0.00 C ATOM 696 CG1 VAL A 448 -24.934 32.510 -5.696 1.00 0.00 C ATOM 697 CG2 VAL A 448 -24.788 30.193 -4.756 1.00 0.00 C ATOM 0 H VAL A 448 -22.636 30.202 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 448 -22.478 31.136 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 448 -24.494 32.006 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -26.014 32.483 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -24.578 33.533 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -24.694 32.154 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -25.870 30.197 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -24.543 29.776 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -24.330 29.584 -3.977 1.00 0.00 H new ATOM 707 N SER A 449 -21.863 33.524 -6.100 1.00 0.00 N ATOM 708 CA SER A 449 -21.384 34.888 -6.292 1.00 0.00 C ATOM 709 C SER A 449 -22.204 35.873 -5.464 1.00 0.00 C ATOM 710 O SER A 449 -21.657 36.644 -4.676 1.00 0.00 O ATOM 711 CB SER A 449 -21.449 35.270 -7.772 1.00 0.00 C ATOM 712 OG SER A 449 -20.626 36.391 -8.045 1.00 0.00 O ATOM 0 H SER A 449 -21.866 32.955 -6.947 1.00 0.00 H new ATOM 0 HA SER A 449 -20.348 34.934 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 449 -21.133 34.425 -8.383 1.00 0.00 H new ATOM 0 HB3 SER A 449 -22.479 35.495 -8.048 1.00 0.00 H new ATOM 0 HG SER A 449 -20.683 36.615 -8.997 1.00 0.00 H new ATOM 718 N GLY A 450 -23.520 35.840 -5.649 1.00 0.00 N ATOM 719 CA GLY A 450 -24.395 36.735 -4.913 1.00 0.00 C ATOM 720 C GLY A 450 -25.457 37.362 -5.795 1.00 0.00 C ATOM 721 O GLY A 450 -26.601 36.909 -5.843 1.00 0.00 O ATOM 0 H GLY A 450 -23.996 35.210 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -24.877 36.184 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -23.799 37.522 -4.451 1.00 0.00 H new ATOM 725 N PRO A 451 -25.081 38.431 -6.512 1.00 0.00 N ATOM 726 CA PRO A 451 -25.995 39.145 -7.408 1.00 0.00 C ATOM 727 C PRO A 451 -26.358 38.323 -8.640 1.00 0.00 C ATOM 728 O PRO A 451 -25.654 38.356 -9.649 1.00 0.00 O ATOM 729 CB PRO A 451 -25.199 40.389 -7.810 1.00 0.00 C ATOM 730 CG PRO A 451 -23.771 39.991 -7.655 1.00 0.00 C ATOM 731 CD PRO A 451 -23.733 39.025 -6.504 1.00 0.00 C ATOM 0 HA PRO A 451 -26.946 39.369 -6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 451 -25.418 40.685 -8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 451 -25.445 41.239 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 451 -23.394 39.527 -8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 451 -23.143 40.860 -7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 451 -22.960 38.269 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 451 -23.522 39.531 -5.562 1.00 0.00 H new ATOM 739 N SER A 452 -27.461 37.588 -8.552 1.00 0.00 N ATOM 740 CA SER A 452 -27.916 36.755 -9.659 1.00 0.00 C ATOM 741 C SER A 452 -28.567 37.604 -10.746 1.00 0.00 C ATOM 742 O SER A 452 -28.218 37.502 -11.922 1.00 0.00 O ATOM 743 CB SER A 452 -28.905 35.700 -9.159 1.00 0.00 C ATOM 744 OG SER A 452 -29.216 34.768 -10.180 1.00 0.00 O ATOM 0 H SER A 452 -28.057 37.552 -7.725 1.00 0.00 H new ATOM 0 HA SER A 452 -27.047 36.254 -10.085 1.00 0.00 H new ATOM 0 HB2 SER A 452 -28.481 35.177 -8.302 1.00 0.00 H new ATOM 0 HB3 SER A 452 -29.818 36.187 -8.816 1.00 0.00 H new ATOM 0 HG SER A 452 -29.848 34.104 -9.835 1.00 0.00 H new ATOM 750 N SER A 453 -29.517 38.443 -10.343 1.00 0.00 N ATOM 751 CA SER A 453 -30.221 39.308 -11.282 1.00 0.00 C ATOM 752 C SER A 453 -29.286 39.781 -12.391 1.00 0.00 C ATOM 753 O SER A 453 -28.346 40.536 -12.146 1.00 0.00 O ATOM 754 CB SER A 453 -30.815 40.513 -10.551 1.00 0.00 C ATOM 755 OG SER A 453 -31.933 41.033 -11.249 1.00 0.00 O ATOM 0 H SER A 453 -29.816 38.542 -9.373 1.00 0.00 H new ATOM 0 HA SER A 453 -31.029 38.732 -11.733 1.00 0.00 H new ATOM 0 HB2 SER A 453 -31.115 40.220 -9.545 1.00 0.00 H new ATOM 0 HB3 SER A 453 -30.056 41.288 -10.445 1.00 0.00 H new ATOM 0 HG SER A 453 -32.295 41.801 -10.760 1.00 0.00 H new ATOM 761 N GLY A 454 -29.551 39.331 -13.613 1.00 0.00 N ATOM 762 CA GLY A 454 -28.726 39.718 -14.742 1.00 0.00 C ATOM 763 C GLY A 454 -29.224 39.137 -16.051 1.00 0.00 C ATOM 764 O GLY A 454 -29.507 37.943 -16.140 1.00 0.00 O ATOM 0 H GLY A 454 -30.323 38.705 -13.842 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -28.704 40.805 -14.816 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -27.701 39.389 -14.569 1.00 0.00 H new TER 768 GLY A 454 HETATM 769 ZN ZN A 201 -2.455 5.296 -3.669 1.00 0.00 ZN