USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 576 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 Set 1.1: A 496 TYR OH : rot 130:sc= 0.639 USER MOD Set 1.2: A 505 TYR OH : rot 35:sc= 2.06 USER MOD Set 2.1: A 464 TYR OH : rot -160:sc= 0.0292 USER MOD Set 2.2: A 506 THR OG1 : rot 180:sc= 0.0309 USER MOD Set 3.1: A 440 HIS :FLIP no HE2:sc= -10.4! C(o=-13!,f=-12!) USER MOD Set 3.2: A 449 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 424 ASN : amide:sc= -1.69! C(o=-1.7!,f=-1.7!) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 THR OG1 : rot 180:sc= -3.1! USER MOD Single : A 429 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 430 TYR OH : rot 48:sc= -0.668! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.09) USER MOD Single : A 435 ASN : amide:sc= -4.11! C(o=-4.1!,f=-14!) USER MOD Single : A 436 SER OG : rot 59:sc= 0.613 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -141:sc= -9.31! (180deg=-12.4!) USER MOD Single : A 457 GLN : amide:sc= -1.96 K(o=-2,f=-5.2!) USER MOD Single : A 462 SER OG : rot 59:sc= 1.13 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 THR OG1 : rot 180:sc=-0.00394 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 475 SER OG : rot 180:sc= 0.0704 USER MOD Single : A 476 GLN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 482 ASN : amide:sc= -4.86! C(o=-4.9!,f=-5!) USER MOD Single : A 495 ASN : amide:sc= -0.689 K(o=-0.69,f=-2.5) USER MOD Single : A 497 SER OG : rot -55:sc= 0.984 USER MOD Single : A 499 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 503 SER OG : rot 163:sc= -0.998 USER MOD Single : A 504 THR OG1 : rot 20:sc= -1.21 USER MOD Single : A 515 THR OG1 : rot 53:sc= 0.525 USER MOD Single : A 517 THR OG1 : rot -179:sc= -1.43 USER MOD Single : A 518 SER OG : rot 46:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 424 -10.983 -2.799 12.503 1.00 0.00 N ATOM 37 CA ASN A 424 -9.818 -1.935 12.408 1.00 0.00 C ATOM 38 C ASN A 424 -9.604 -1.535 10.947 1.00 0.00 C ATOM 39 O ASN A 424 -10.149 -2.164 10.041 1.00 0.00 O ATOM 40 CB ASN A 424 -8.558 -2.654 12.891 1.00 0.00 C ATOM 41 CG ASN A 424 -8.322 -2.405 14.382 1.00 0.00 C ATOM 42 OD1 ASN A 424 -7.880 -1.346 14.798 1.00 0.00 O ATOM 43 ND2 ASN A 424 -8.639 -3.435 15.160 1.00 0.00 N ATOM 0 HA ASN A 424 -9.995 -1.060 13.033 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -8.653 -3.724 12.708 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.696 -2.308 12.320 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -8.517 -3.367 16.170 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -9.004 -4.293 14.747 1.00 0.00 H new ATOM 50 N LYS A 425 -8.808 -0.492 10.763 1.00 0.00 N ATOM 51 CA LYS A 425 -8.515 0.000 9.427 1.00 0.00 C ATOM 52 C LYS A 425 -7.000 0.135 9.259 1.00 0.00 C ATOM 53 O LYS A 425 -6.276 0.308 10.238 1.00 0.00 O ATOM 54 CB LYS A 425 -9.282 1.295 9.152 1.00 0.00 C ATOM 55 CG LYS A 425 -9.340 1.590 7.652 1.00 0.00 C ATOM 56 CD LYS A 425 -10.777 1.855 7.201 1.00 0.00 C ATOM 57 CE LYS A 425 -10.917 1.683 5.687 1.00 0.00 C ATOM 58 NZ LYS A 425 -11.799 2.730 5.125 1.00 0.00 N ATOM 0 H LYS A 425 -8.357 0.026 11.517 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.858 -0.711 8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -10.294 1.214 9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.801 2.124 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -8.718 2.455 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -8.930 0.747 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -11.454 1.171 7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -11.070 2.866 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -9.935 1.736 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -11.325 0.697 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -11.883 2.598 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -12.741 2.661 5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -11.394 3.667 5.322 1.00 0.00 H new ATOM 71 N VAL A 426 -6.565 0.049 8.010 1.00 0.00 N ATOM 72 CA VAL A 426 -5.150 0.159 7.702 1.00 0.00 C ATOM 73 C VAL A 426 -4.956 1.167 6.567 1.00 0.00 C ATOM 74 O VAL A 426 -5.563 1.035 5.505 1.00 0.00 O ATOM 75 CB VAL A 426 -4.576 -1.222 7.379 1.00 0.00 C ATOM 76 CG1 VAL A 426 -3.046 -1.201 7.414 1.00 0.00 C ATOM 77 CG2 VAL A 426 -5.131 -2.283 8.332 1.00 0.00 C ATOM 0 H VAL A 426 -7.168 -0.096 7.200 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.599 0.532 8.566 1.00 0.00 H new ATOM 0 HB VAL A 426 -4.885 -1.485 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.663 -2.195 7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.675 -0.487 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.709 -0.906 8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.707 -3.255 8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.866 -2.026 9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -6.216 -2.325 8.238 1.00 0.00 H new ATOM 87 N THR A 427 -4.109 2.151 6.830 1.00 0.00 N ATOM 88 CA THR A 427 -3.829 3.181 5.843 1.00 0.00 C ATOM 89 C THR A 427 -2.419 3.006 5.276 1.00 0.00 C ATOM 90 O THR A 427 -1.474 2.750 6.020 1.00 0.00 O ATOM 91 CB THR A 427 -4.053 4.542 6.505 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.456 4.581 6.752 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.812 5.707 5.542 1.00 0.00 C ATOM 0 H THR A 427 -3.607 2.257 7.712 1.00 0.00 H new ATOM 0 HA THR A 427 -4.501 3.104 4.988 1.00 0.00 H new ATOM 0 HB THR A 427 -3.393 4.640 7.367 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.689 5.430 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 427 -3.984 6.650 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.784 5.674 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.496 5.628 4.697 1.00 0.00 H new ATOM 101 N ILE A 428 -2.322 3.150 3.962 1.00 0.00 N ATOM 102 CA ILE A 428 -1.044 3.011 3.286 1.00 0.00 C ATOM 103 C ILE A 428 -0.853 4.181 2.318 1.00 0.00 C ATOM 104 O ILE A 428 -1.672 4.391 1.425 1.00 0.00 O ATOM 105 CB ILE A 428 -0.936 1.638 2.620 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.490 0.574 3.626 1.00 0.00 C ATOM 107 CG2 ILE A 428 -0.019 1.692 1.397 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.567 -0.498 3.804 1.00 0.00 C ATOM 0 H ILE A 428 -3.108 3.362 3.348 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.226 3.056 4.006 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.926 1.351 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.436 0.111 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.277 1.043 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.040 0.703 0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.420 2.401 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 428 0.977 2.011 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -1.225 -1.242 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.484 -0.035 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.760 -0.982 2.847 1.00 0.00 H new ATOM 120 N TYR A 429 0.232 4.911 2.529 1.00 0.00 N ATOM 121 CA TYR A 429 0.540 6.054 1.686 1.00 0.00 C ATOM 122 C TYR A 429 1.821 5.815 0.885 1.00 0.00 C ATOM 123 O TYR A 429 2.913 5.780 1.449 1.00 0.00 O ATOM 124 CB TYR A 429 0.760 7.232 2.637 1.00 0.00 C ATOM 125 CG TYR A 429 -0.506 7.687 3.367 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.726 7.127 3.047 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.427 8.659 4.344 1.00 0.00 C ATOM 128 CE1 TYR A 429 -2.917 7.556 3.734 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.618 9.087 5.031 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.804 8.515 4.692 1.00 0.00 C ATOM 131 OH TYR A 429 -3.929 8.920 5.340 1.00 0.00 O ATOM 0 H TYR A 429 0.909 4.733 3.271 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.266 6.235 0.975 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.513 6.954 3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.163 8.072 2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.788 6.367 2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.528 9.098 4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.878 7.126 3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.570 9.845 5.798 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.698 9.608 5.998 1.00 0.00 H new ATOM 141 N TYR A 430 1.645 5.657 -0.419 1.00 0.00 N ATOM 142 CA TYR A 430 2.773 5.422 -1.304 1.00 0.00 C ATOM 143 C TYR A 430 3.083 6.666 -2.139 1.00 0.00 C ATOM 144 O TYR A 430 2.172 7.351 -2.601 1.00 0.00 O ATOM 145 CB TYR A 430 2.347 4.288 -2.238 1.00 0.00 C ATOM 146 CG TYR A 430 3.145 4.223 -3.542 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.458 3.799 -3.527 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.551 4.590 -4.733 1.00 0.00 C ATOM 149 CE1 TYR A 430 5.209 3.738 -4.754 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.302 4.529 -5.961 1.00 0.00 C ATOM 151 CZ TYR A 430 4.594 4.106 -5.911 1.00 0.00 C ATOM 152 OH TYR A 430 5.303 4.048 -7.069 1.00 0.00 O ATOM 0 H TYR A 430 0.738 5.687 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 430 3.667 5.177 -0.730 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.452 3.339 -1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.290 4.405 -2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.922 3.513 -2.595 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.524 4.923 -4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 430 6.237 3.408 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.850 4.813 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 430 5.757 3.182 -7.131 1.00 0.00 H new ATOM 162 N LYS A 431 4.373 6.920 -2.307 1.00 0.00 N ATOM 163 CA LYS A 431 4.815 8.069 -3.078 1.00 0.00 C ATOM 164 C LYS A 431 4.343 7.919 -4.526 1.00 0.00 C ATOM 165 O LYS A 431 4.349 6.818 -5.074 1.00 0.00 O ATOM 166 CB LYS A 431 6.327 8.257 -2.941 1.00 0.00 C ATOM 167 CG LYS A 431 6.776 9.573 -3.580 1.00 0.00 C ATOM 168 CD LYS A 431 7.677 9.315 -4.789 1.00 0.00 C ATOM 169 CE LYS A 431 8.260 10.623 -5.327 1.00 0.00 C ATOM 170 NZ LYS A 431 8.911 10.400 -6.638 1.00 0.00 N ATOM 0 H LYS A 431 5.126 6.349 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 431 4.367 8.983 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.604 8.247 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.845 7.423 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 431 5.903 10.148 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 431 7.311 10.175 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 431 8.486 8.641 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 431 7.106 8.817 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 431 7.469 11.366 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 431 8.984 11.024 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.301 11.298 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 9.679 9.707 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 8.211 10.038 -7.316 1.00 0.00 H new ATOM 183 N LYS A 432 3.944 9.043 -5.104 1.00 0.00 N ATOM 184 CA LYS A 432 3.469 9.050 -6.477 1.00 0.00 C ATOM 185 C LYS A 432 4.660 8.897 -7.425 1.00 0.00 C ATOM 186 O LYS A 432 5.536 9.760 -7.471 1.00 0.00 O ATOM 187 CB LYS A 432 2.625 10.297 -6.746 1.00 0.00 C ATOM 188 CG LYS A 432 1.643 10.058 -7.895 1.00 0.00 C ATOM 189 CD LYS A 432 0.447 11.008 -7.800 1.00 0.00 C ATOM 190 CE LYS A 432 -0.799 10.273 -7.304 1.00 0.00 C ATOM 191 NZ LYS A 432 -1.957 10.567 -8.178 1.00 0.00 N ATOM 0 H LYS A 432 3.940 9.955 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 432 2.808 8.202 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 432 2.076 10.570 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 432 3.277 11.136 -6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 432 2.151 10.202 -8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 432 1.295 9.025 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.683 11.829 -7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 432 0.249 11.448 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.612 9.199 -7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -1.023 10.574 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -2.818 10.158 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.071 11.597 -8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -1.796 10.153 -9.118 1.00 0.00 H new ATOM 204 N GLY A 433 4.655 7.793 -8.158 1.00 0.00 N ATOM 205 CA GLY A 433 5.724 7.516 -9.102 1.00 0.00 C ATOM 206 C GLY A 433 5.163 7.205 -10.491 1.00 0.00 C ATOM 207 O GLY A 433 5.901 6.794 -11.384 1.00 0.00 O ATOM 0 H GLY A 433 3.927 7.080 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.394 8.374 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.317 6.672 -8.748 1.00 0.00 H new ATOM 211 N PHE A 434 3.862 7.414 -10.628 1.00 0.00 N ATOM 212 CA PHE A 434 3.193 7.161 -11.893 1.00 0.00 C ATOM 213 C PHE A 434 2.098 8.198 -12.152 1.00 0.00 C ATOM 214 O PHE A 434 2.204 8.999 -13.079 1.00 0.00 O ATOM 215 CB PHE A 434 2.552 5.775 -11.791 1.00 0.00 C ATOM 216 CG PHE A 434 3.299 4.686 -12.563 1.00 0.00 C ATOM 217 CD1 PHE A 434 4.456 4.172 -12.067 1.00 0.00 C ATOM 218 CD2 PHE A 434 2.805 4.231 -13.746 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.149 3.161 -12.784 1.00 0.00 C ATOM 220 CE2 PHE A 434 3.498 3.220 -14.463 1.00 0.00 C ATOM 221 CZ PHE A 434 4.655 2.706 -13.967 1.00 0.00 C ATOM 0 H PHE A 434 3.253 7.756 -9.884 1.00 0.00 H new ATOM 0 HA PHE A 434 3.911 7.218 -12.711 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.496 5.488 -10.741 1.00 0.00 H new ATOM 0 HB3 PHE A 434 1.528 5.831 -12.161 1.00 0.00 H new ATOM 0 HD1 PHE A 434 4.848 4.533 -11.128 1.00 0.00 H new ATOM 0 HD2 PHE A 434 1.886 4.639 -14.140 1.00 0.00 H new ATOM 0 HE1 PHE A 434 6.068 2.753 -12.390 1.00 0.00 H new ATOM 0 HE2 PHE A 434 3.106 2.859 -15.402 1.00 0.00 H new ATOM 0 HZ PHE A 434 5.182 1.937 -14.512 1.00 0.00 H new ATOM 231 N ASN A 435 1.072 8.150 -11.315 1.00 0.00 N ATOM 232 CA ASN A 435 -0.041 9.075 -11.442 1.00 0.00 C ATOM 233 C ASN A 435 -1.315 8.409 -10.917 1.00 0.00 C ATOM 234 O ASN A 435 -2.207 9.083 -10.407 1.00 0.00 O ATOM 235 CB ASN A 435 -0.276 9.457 -12.905 1.00 0.00 C ATOM 236 CG ASN A 435 -0.143 8.237 -13.819 1.00 0.00 C ATOM 237 OD1 ASN A 435 -0.300 7.100 -13.406 1.00 0.00 O ATOM 238 ND2 ASN A 435 0.154 8.536 -15.080 1.00 0.00 N ATOM 0 H ASN A 435 0.988 7.485 -10.546 1.00 0.00 H new ATOM 0 HA ASN A 435 0.199 9.971 -10.869 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -1.269 9.892 -13.016 1.00 0.00 H new ATOM 0 HB3 ASN A 435 0.442 10.220 -13.205 1.00 0.00 H new ATOM 0 HD21 ASN A 435 0.264 7.791 -15.768 1.00 0.00 H new ATOM 0 HD22 ASN A 435 0.272 9.510 -15.359 1.00 0.00 H new ATOM 245 N SER A 436 -1.358 7.092 -11.061 1.00 0.00 N ATOM 246 CA SER A 436 -2.508 6.327 -10.609 1.00 0.00 C ATOM 247 C SER A 436 -2.148 4.843 -10.524 1.00 0.00 C ATOM 248 O SER A 436 -2.759 4.013 -11.196 1.00 0.00 O ATOM 249 CB SER A 436 -3.706 6.531 -11.538 1.00 0.00 C ATOM 250 OG SER A 436 -3.472 5.993 -12.837 1.00 0.00 O ATOM 0 H SER A 436 -0.615 6.536 -11.484 1.00 0.00 H new ATOM 0 HA SER A 436 -2.788 6.684 -9.618 1.00 0.00 H new ATOM 0 HB2 SER A 436 -4.587 6.058 -11.103 1.00 0.00 H new ATOM 0 HB3 SER A 436 -3.924 7.596 -11.620 1.00 0.00 H new ATOM 0 HG SER A 436 -3.280 5.035 -12.764 1.00 0.00 H new ATOM 256 N PRO A 437 -1.131 4.545 -9.671 1.00 0.00 N ATOM 257 CA PRO A 437 -0.683 3.175 -9.490 1.00 0.00 C ATOM 258 C PRO A 437 -1.676 2.381 -8.639 1.00 0.00 C ATOM 259 O PRO A 437 -2.363 2.948 -7.790 1.00 0.00 O ATOM 260 CB PRO A 437 0.690 3.292 -8.848 1.00 0.00 C ATOM 261 CG PRO A 437 0.761 4.696 -8.270 1.00 0.00 C ATOM 262 CD PRO A 437 -0.385 5.502 -8.860 1.00 0.00 C ATOM 0 HA PRO A 437 -0.623 2.624 -10.429 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.822 2.542 -8.069 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.480 3.131 -9.582 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.686 4.665 -7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.718 5.160 -8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.011 5.931 -8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.016 6.331 -9.464 1.00 0.00 H new ATOM 270 N TYR A 438 -1.719 1.082 -8.895 1.00 0.00 N ATOM 271 CA TYR A 438 -2.617 0.205 -8.162 1.00 0.00 C ATOM 272 C TYR A 438 -1.904 -0.439 -6.972 1.00 0.00 C ATOM 273 O TYR A 438 -0.690 -0.636 -7.003 1.00 0.00 O ATOM 274 CB TYR A 438 -3.032 -0.891 -9.146 1.00 0.00 C ATOM 275 CG TYR A 438 -3.766 -0.371 -10.384 1.00 0.00 C ATOM 276 CD1 TYR A 438 -3.059 0.235 -11.402 1.00 0.00 C ATOM 277 CD2 TYR A 438 -5.136 -0.507 -10.481 1.00 0.00 C ATOM 278 CE1 TYR A 438 -3.750 0.724 -12.567 1.00 0.00 C ATOM 279 CE2 TYR A 438 -5.828 -0.017 -11.645 1.00 0.00 C ATOM 280 CZ TYR A 438 -5.101 0.574 -12.631 1.00 0.00 C ATOM 281 OH TYR A 438 -5.754 1.037 -13.730 1.00 0.00 O ATOM 0 H TYR A 438 -1.147 0.616 -9.599 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.469 0.764 -7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -2.143 -1.434 -9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.673 -1.605 -8.629 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -1.987 0.343 -11.325 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.689 -0.981 -9.684 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -3.208 1.199 -13.372 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -6.900 -0.117 -11.733 1.00 0.00 H new ATOM 0 HH TYR A 438 -6.714 0.861 -13.639 1.00 0.00 H new ATOM 291 N ILE A 439 -2.689 -0.750 -5.950 1.00 0.00 N ATOM 292 CA ILE A 439 -2.147 -1.367 -4.751 1.00 0.00 C ATOM 293 C ILE A 439 -3.028 -2.552 -4.351 1.00 0.00 C ATOM 294 O ILE A 439 -4.235 -2.400 -4.168 1.00 0.00 O ATOM 295 CB ILE A 439 -1.977 -0.326 -3.643 1.00 0.00 C ATOM 296 CG1 ILE A 439 -1.133 -0.882 -2.494 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.334 0.189 -3.161 1.00 0.00 C ATOM 298 CD1 ILE A 439 -1.822 -2.080 -1.838 1.00 0.00 C ATOM 0 H ILE A 439 -3.696 -0.586 -5.928 1.00 0.00 H new ATOM 0 HA ILE A 439 -1.149 -1.761 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.438 0.527 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -0.154 -1.181 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -0.965 -0.102 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.184 0.928 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.865 0.649 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.921 -0.643 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -1.201 -2.456 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -2.790 -1.772 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -1.966 -2.867 -2.578 1.00 0.00 H new ATOM 310 N HIS A 440 -2.390 -3.707 -4.227 1.00 0.00 N ATOM 311 CA HIS A 440 -3.100 -4.918 -3.852 1.00 0.00 C ATOM 312 C HIS A 440 -2.999 -5.125 -2.339 1.00 0.00 C ATOM 313 O HIS A 440 -1.901 -5.241 -1.797 1.00 0.00 O ATOM 314 CB HIS A 440 -2.587 -6.118 -4.650 1.00 0.00 C ATOM 315 CG HIS A 440 -3.659 -7.115 -5.018 1.00 0.00 C ATOM 316 ND1 HIS A 440 -3.825 -8.420 -4.658 1.00 0.00 N flip ATOM 317 CD2 HIS A 440 -4.719 -6.803 -5.853 1.00 0.00 C flip ATOM 318 CE1 HIS A 440 -4.926 -8.880 -5.239 1.00 0.00 C flip ATOM 319 NE2 HIS A 440 -5.481 -7.879 -5.981 1.00 0.00 N flip ATOM 0 H HIS A 440 -1.389 -3.830 -4.380 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.156 -4.816 -4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.112 -5.758 -5.562 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.817 -6.626 -4.069 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.207 -8.953 -4.046 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -4.894 -5.845 -6.320 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -5.318 -9.882 -5.141 1.00 0.00 H new ATOM 327 N TYR A 441 -4.159 -5.165 -1.701 1.00 0.00 N ATOM 328 CA TYR A 441 -4.215 -5.355 -0.262 1.00 0.00 C ATOM 329 C TYR A 441 -5.055 -6.583 0.097 1.00 0.00 C ATOM 330 O TYR A 441 -5.957 -6.962 -0.650 1.00 0.00 O ATOM 331 CB TYR A 441 -4.893 -4.105 0.303 1.00 0.00 C ATOM 332 CG TYR A 441 -6.358 -3.952 -0.108 1.00 0.00 C ATOM 333 CD1 TYR A 441 -7.305 -4.834 0.371 1.00 0.00 C ATOM 334 CD2 TYR A 441 -6.733 -2.932 -0.959 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.685 -4.690 -0.017 1.00 0.00 C ATOM 336 CE2 TYR A 441 -8.112 -2.788 -1.347 1.00 0.00 C ATOM 337 CZ TYR A 441 -9.020 -3.674 -0.856 1.00 0.00 C ATOM 338 OH TYR A 441 -10.323 -3.538 -1.222 1.00 0.00 O ATOM 0 H TYR A 441 -5.068 -5.069 -2.154 1.00 0.00 H new ATOM 0 HA TYR A 441 -3.215 -5.507 0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.833 -4.132 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -4.340 -3.225 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -7.012 -5.632 1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -5.992 -2.242 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -9.436 -5.374 0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -8.419 -1.995 -2.013 1.00 0.00 H new ATOM 0 HH TYR A 441 -10.415 -2.769 -1.823 1.00 0.00 H new ATOM 348 N ARG A 442 -4.731 -7.169 1.239 1.00 0.00 N ATOM 349 CA ARG A 442 -5.444 -8.346 1.705 1.00 0.00 C ATOM 350 C ARG A 442 -5.326 -8.471 3.226 1.00 0.00 C ATOM 351 O ARG A 442 -4.221 -8.513 3.765 1.00 0.00 O ATOM 352 CB ARG A 442 -4.897 -9.617 1.052 1.00 0.00 C ATOM 353 CG ARG A 442 -5.054 -10.822 1.981 1.00 0.00 C ATOM 354 CD ARG A 442 -4.510 -12.094 1.326 1.00 0.00 C ATOM 355 NE ARG A 442 -3.558 -12.766 2.239 1.00 0.00 N ATOM 356 CZ ARG A 442 -2.826 -13.850 1.904 1.00 0.00 C ATOM 357 NH1 ARG A 442 -2.931 -14.394 0.673 1.00 0.00 N ATOM 358 NH2 ARG A 442 -2.006 -14.369 2.798 1.00 0.00 N ATOM 0 H ARG A 442 -3.984 -6.851 1.856 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.491 -8.230 1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.423 -9.804 0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.845 -9.479 0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.526 -10.636 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.106 -10.959 2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.332 -12.768 1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -4.014 -11.846 0.388 1.00 0.00 H new ATOM 0 HE ARG A 442 -3.448 -12.387 3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -3.567 -13.986 -0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -2.374 -15.213 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -1.932 -13.951 3.726 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -1.446 -15.188 2.561 1.00 0.00 H new ATOM 371 N PRO A 443 -6.511 -8.528 3.892 1.00 0.00 N ATOM 372 CA PRO A 443 -6.551 -8.647 5.339 1.00 0.00 C ATOM 373 C PRO A 443 -6.193 -10.067 5.783 1.00 0.00 C ATOM 374 O PRO A 443 -6.687 -11.041 5.216 1.00 0.00 O ATOM 375 CB PRO A 443 -7.962 -8.241 5.729 1.00 0.00 C ATOM 376 CG PRO A 443 -8.794 -8.358 4.462 1.00 0.00 C ATOM 377 CD PRO A 443 -7.838 -8.481 3.286 1.00 0.00 C ATOM 0 HA PRO A 443 -5.817 -8.010 5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -8.352 -8.889 6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.982 -7.223 6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.449 -9.228 4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -9.434 -7.484 4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -8.040 -9.380 2.704 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.934 -7.634 2.607 1.00 0.00 H new ATOM 385 N ALA A 444 -5.338 -10.140 6.792 1.00 0.00 N ATOM 386 CA ALA A 444 -4.909 -11.425 7.317 1.00 0.00 C ATOM 387 C ALA A 444 -6.139 -12.264 7.670 1.00 0.00 C ATOM 388 O ALA A 444 -6.775 -12.038 8.698 1.00 0.00 O ATOM 389 CB ALA A 444 -3.990 -11.203 8.521 1.00 0.00 C ATOM 0 H ALA A 444 -4.931 -9.330 7.260 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.339 -11.975 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.668 -12.167 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -3.118 -10.628 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.529 -10.656 9.295 1.00 0.00 H new ATOM 395 N GLY A 445 -6.436 -13.215 6.797 1.00 0.00 N ATOM 396 CA GLY A 445 -7.579 -14.089 7.003 1.00 0.00 C ATOM 397 C GLY A 445 -8.692 -13.781 5.999 1.00 0.00 C ATOM 398 O GLY A 445 -9.755 -14.399 6.037 1.00 0.00 O ATOM 0 H GLY A 445 -5.905 -13.400 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.269 -15.129 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -7.956 -13.967 8.018 1.00 0.00 H new ATOM 402 N GLY A 446 -8.410 -12.827 5.124 1.00 0.00 N ATOM 403 CA GLY A 446 -9.374 -12.430 4.112 1.00 0.00 C ATOM 404 C GLY A 446 -8.962 -12.945 2.732 1.00 0.00 C ATOM 405 O GLY A 446 -8.380 -14.023 2.615 1.00 0.00 O ATOM 0 H GLY A 446 -7.527 -12.317 5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.359 -12.819 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.456 -11.343 4.089 1.00 0.00 H new ATOM 409 N SER A 447 -9.282 -12.151 1.720 1.00 0.00 N ATOM 410 CA SER A 447 -8.953 -12.514 0.352 1.00 0.00 C ATOM 411 C SER A 447 -8.313 -11.323 -0.366 1.00 0.00 C ATOM 412 O SER A 447 -8.541 -10.174 0.008 1.00 0.00 O ATOM 413 CB SER A 447 -10.196 -12.985 -0.407 1.00 0.00 C ATOM 414 OG SER A 447 -11.305 -13.192 0.463 1.00 0.00 O ATOM 0 H SER A 447 -9.765 -11.258 1.820 1.00 0.00 H new ATOM 0 HA SER A 447 -8.242 -13.340 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 447 -10.461 -12.246 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 447 -9.970 -13.912 -0.933 1.00 0.00 H new ATOM 0 HG SER A 447 -12.079 -13.490 -0.059 1.00 0.00 H new ATOM 420 N TRP A 448 -7.525 -11.640 -1.382 1.00 0.00 N ATOM 421 CA TRP A 448 -6.850 -10.611 -2.155 1.00 0.00 C ATOM 422 C TRP A 448 -7.906 -9.866 -2.974 1.00 0.00 C ATOM 423 O TRP A 448 -8.975 -10.407 -3.254 1.00 0.00 O ATOM 424 CB TRP A 448 -5.740 -11.213 -3.018 1.00 0.00 C ATOM 425 CG TRP A 448 -4.408 -11.389 -2.285 1.00 0.00 C ATOM 426 CD1 TRP A 448 -3.761 -12.530 -2.012 1.00 0.00 C ATOM 427 CD2 TRP A 448 -3.582 -10.338 -1.740 1.00 0.00 C ATOM 428 NE1 TRP A 448 -2.583 -12.293 -1.333 1.00 0.00 N ATOM 429 CE2 TRP A 448 -2.471 -10.918 -1.162 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.768 -8.945 -1.735 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.459 -10.180 -0.537 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.747 -8.221 -1.106 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.622 -8.789 -0.520 1.00 0.00 C ATOM 0 H TRP A 448 -7.338 -12.595 -1.688 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.353 -9.898 -1.497 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.069 -12.183 -3.390 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -5.583 -10.574 -3.887 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -4.116 -13.512 -2.288 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -1.917 -12.997 -1.015 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.630 -8.470 -2.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -0.599 -10.658 -0.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.841 -7.146 -1.074 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.877 -8.161 -0.054 1.00 0.00 H new ATOM 444 N THR A 449 -7.570 -8.636 -3.335 1.00 0.00 N ATOM 445 CA THR A 449 -8.476 -7.812 -4.116 1.00 0.00 C ATOM 446 C THR A 449 -8.472 -8.254 -5.581 1.00 0.00 C ATOM 447 O THR A 449 -7.858 -9.263 -5.927 1.00 0.00 O ATOM 448 CB THR A 449 -8.070 -6.349 -3.923 1.00 0.00 C ATOM 449 OG1 THR A 449 -6.645 -6.383 -3.910 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.442 -5.817 -2.537 1.00 0.00 C ATOM 0 H THR A 449 -6.683 -8.191 -3.101 1.00 0.00 H new ATOM 0 HA THR A 449 -9.506 -7.927 -3.777 1.00 0.00 H new ATOM 0 HB THR A 449 -8.547 -5.736 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 449 -6.297 -5.475 -3.791 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.132 -4.775 -2.452 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.521 -5.887 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 449 -7.938 -6.409 -1.773 1.00 0.00 H new ATOM 458 N ALA A 450 -9.164 -7.479 -6.402 1.00 0.00 N ATOM 459 CA ALA A 450 -9.249 -7.779 -7.821 1.00 0.00 C ATOM 460 C ALA A 450 -8.090 -7.098 -8.552 1.00 0.00 C ATOM 461 O ALA A 450 -8.188 -5.930 -8.927 1.00 0.00 O ATOM 462 CB ALA A 450 -10.613 -7.339 -8.356 1.00 0.00 C ATOM 0 H ALA A 450 -9.671 -6.643 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.163 -8.852 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.676 -7.564 -9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.401 -7.872 -7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.735 -6.266 -8.204 1.00 0.00 H new ATOM 468 N ALA A 451 -7.018 -7.856 -8.732 1.00 0.00 N ATOM 469 CA ALA A 451 -5.842 -7.341 -9.411 1.00 0.00 C ATOM 470 C ALA A 451 -6.255 -6.748 -10.760 1.00 0.00 C ATOM 471 O ALA A 451 -6.910 -7.414 -11.560 1.00 0.00 O ATOM 472 CB ALA A 451 -4.806 -8.458 -9.557 1.00 0.00 C ATOM 0 H ALA A 451 -6.940 -8.824 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.381 -6.543 -8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -3.923 -8.071 -10.067 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -4.524 -8.824 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -5.232 -9.275 -10.139 1.00 0.00 H new ATOM 478 N PRO A 452 -5.844 -5.470 -10.976 1.00 0.00 N ATOM 479 CA PRO A 452 -5.072 -4.753 -9.975 1.00 0.00 C ATOM 480 C PRO A 452 -5.961 -4.307 -8.812 1.00 0.00 C ATOM 481 O PRO A 452 -7.120 -3.948 -9.014 1.00 0.00 O ATOM 482 CB PRO A 452 -4.445 -3.587 -10.723 1.00 0.00 C ATOM 483 CG PRO A 452 -5.255 -3.427 -11.999 1.00 0.00 C ATOM 484 CD PRO A 452 -6.103 -4.676 -12.173 1.00 0.00 C ATOM 0 HA PRO A 452 -4.304 -5.373 -9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -4.476 -2.677 -10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -3.397 -3.785 -10.948 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -5.888 -2.541 -11.941 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -4.595 -3.292 -12.856 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -7.161 -4.427 -12.262 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.826 -5.220 -13.076 1.00 0.00 H new ATOM 492 N GLY A 453 -5.384 -4.346 -7.620 1.00 0.00 N ATOM 493 CA GLY A 453 -6.109 -3.951 -6.424 1.00 0.00 C ATOM 494 C GLY A 453 -6.906 -2.668 -6.665 1.00 0.00 C ATOM 495 O GLY A 453 -7.856 -2.660 -7.445 1.00 0.00 O ATOM 0 H GLY A 453 -4.423 -4.645 -7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -6.784 -4.752 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -5.408 -3.799 -5.603 1.00 0.00 H new ATOM 499 N VAL A 454 -6.489 -1.613 -5.980 1.00 0.00 N ATOM 500 CA VAL A 454 -7.152 -0.327 -6.109 1.00 0.00 C ATOM 501 C VAL A 454 -6.104 0.759 -6.359 1.00 0.00 C ATOM 502 O VAL A 454 -5.006 0.707 -5.807 1.00 0.00 O ATOM 503 CB VAL A 454 -8.011 -0.055 -4.872 1.00 0.00 C ATOM 504 CG1 VAL A 454 -7.138 0.161 -3.634 1.00 0.00 C ATOM 505 CG2 VAL A 454 -8.940 1.139 -5.102 1.00 0.00 C ATOM 0 H VAL A 454 -5.700 -1.623 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.828 -0.330 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.631 -0.934 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.774 0.352 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.537 -0.730 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.481 1.015 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.539 1.311 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.345 2.027 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.598 0.931 -5.946 1.00 0.00 H new ATOM 515 N LYS A 455 -6.479 1.719 -7.192 1.00 0.00 N ATOM 516 CA LYS A 455 -5.586 2.816 -7.523 1.00 0.00 C ATOM 517 C LYS A 455 -5.454 3.743 -6.313 1.00 0.00 C ATOM 518 O LYS A 455 -6.404 4.436 -5.952 1.00 0.00 O ATOM 519 CB LYS A 455 -6.056 3.526 -8.794 1.00 0.00 C ATOM 520 CG LYS A 455 -4.946 3.559 -9.846 1.00 0.00 C ATOM 521 CD LYS A 455 -5.521 3.404 -11.255 1.00 0.00 C ATOM 522 CE LYS A 455 -6.419 4.590 -11.614 1.00 0.00 C ATOM 523 NZ LYS A 455 -7.794 4.128 -11.909 1.00 0.00 N ATOM 0 H LYS A 455 -7.391 1.759 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.588 2.440 -7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.930 3.015 -9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -6.364 4.543 -8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -4.400 4.499 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -4.231 2.759 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -4.708 3.327 -11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -6.093 2.478 -11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -6.437 5.303 -10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -6.012 5.114 -12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -8.390 4.945 -12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -7.773 3.465 -12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -8.186 3.649 -11.073 1.00 0.00 H new ATOM 536 N MET A 456 -4.269 3.726 -5.720 1.00 0.00 N ATOM 537 CA MET A 456 -4.001 4.556 -4.559 1.00 0.00 C ATOM 538 C MET A 456 -4.533 5.976 -4.765 1.00 0.00 C ATOM 539 O MET A 456 -4.104 6.677 -5.681 1.00 0.00 O ATOM 540 CB MET A 456 -2.493 4.608 -4.304 1.00 0.00 C ATOM 541 CG MET A 456 -1.968 3.246 -3.847 1.00 0.00 C ATOM 542 SD MET A 456 -0.247 3.075 -4.290 1.00 0.00 S ATOM 543 CE MET A 456 -0.415 2.317 -5.897 1.00 0.00 C ATOM 0 H MET A 456 -3.484 3.150 -6.023 1.00 0.00 H new ATOM 0 HA MET A 456 -4.509 4.119 -3.699 1.00 0.00 H new ATOM 0 HB2 MET A 456 -1.977 4.914 -5.214 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.274 5.359 -3.545 1.00 0.00 H new ATOM 0 HG2 MET A 456 -2.086 3.145 -2.768 1.00 0.00 H new ATOM 0 HG3 MET A 456 -2.552 2.449 -4.308 1.00 0.00 H new ATOM 0 HE1 MET A 456 0.358 1.559 -6.024 1.00 0.00 H new ATOM 0 HE2 MET A 456 -1.397 1.851 -5.979 1.00 0.00 H new ATOM 0 HE3 MET A 456 -0.309 3.077 -6.671 1.00 0.00 H new ATOM 553 N GLN A 457 -5.460 6.358 -3.899 1.00 0.00 N ATOM 554 CA GLN A 457 -6.055 7.682 -3.976 1.00 0.00 C ATOM 555 C GLN A 457 -4.965 8.748 -4.090 1.00 0.00 C ATOM 556 O GLN A 457 -3.777 8.435 -4.031 1.00 0.00 O ATOM 557 CB GLN A 457 -6.958 7.947 -2.769 1.00 0.00 C ATOM 558 CG GLN A 457 -7.940 6.794 -2.554 1.00 0.00 C ATOM 559 CD GLN A 457 -7.858 6.264 -1.122 1.00 0.00 C ATOM 560 OE1 GLN A 457 -7.127 6.769 -0.286 1.00 0.00 O ATOM 561 NE2 GLN A 457 -8.648 5.219 -0.886 1.00 0.00 N ATOM 0 H GLN A 457 -5.814 5.775 -3.141 1.00 0.00 H new ATOM 0 HA GLN A 457 -6.676 7.729 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.347 8.080 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.509 8.875 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -8.955 7.132 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -7.721 5.990 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -9.236 4.845 -1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -8.666 4.792 0.040 1.00 0.00 H new ATOM 570 N ASP A 458 -5.407 9.987 -4.252 1.00 0.00 N ATOM 571 CA ASP A 458 -4.484 11.102 -4.375 1.00 0.00 C ATOM 572 C ASP A 458 -4.068 11.571 -2.980 1.00 0.00 C ATOM 573 O ASP A 458 -4.911 11.730 -2.098 1.00 0.00 O ATOM 574 CB ASP A 458 -5.138 12.282 -5.096 1.00 0.00 C ATOM 575 CG ASP A 458 -6.381 11.930 -5.916 1.00 0.00 C ATOM 576 OD1 ASP A 458 -6.317 11.132 -6.863 1.00 0.00 O ATOM 577 OD2 ASP A 458 -7.466 12.521 -5.543 1.00 0.00 O ATOM 0 H ASP A 458 -6.393 10.243 -4.301 1.00 0.00 H new ATOM 0 HA ASP A 458 -3.621 10.763 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -5.410 13.035 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -4.401 12.737 -5.758 1.00 0.00 H new ATOM 583 N ALA A 459 -2.769 11.780 -2.823 1.00 0.00 N ATOM 584 CA ALA A 459 -2.232 12.229 -1.550 1.00 0.00 C ATOM 585 C ALA A 459 -1.689 13.651 -1.702 1.00 0.00 C ATOM 586 O ALA A 459 -0.627 13.854 -2.288 1.00 0.00 O ATOM 587 CB ALA A 459 -1.162 11.244 -1.072 1.00 0.00 C ATOM 0 H ALA A 459 -2.073 11.647 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.014 12.255 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.759 11.580 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.605 10.256 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.359 11.194 -1.807 1.00 0.00 H new ATOM 593 N GLU A 460 -2.443 14.599 -1.165 1.00 0.00 N ATOM 594 CA GLU A 460 -2.051 15.996 -1.234 1.00 0.00 C ATOM 595 C GLU A 460 -0.698 16.202 -0.551 1.00 0.00 C ATOM 596 O GLU A 460 -0.061 17.240 -0.727 1.00 0.00 O ATOM 597 CB GLU A 460 -3.121 16.897 -0.615 1.00 0.00 C ATOM 598 CG GLU A 460 -3.248 16.644 0.889 1.00 0.00 C ATOM 599 CD GLU A 460 -4.346 17.516 1.501 1.00 0.00 C ATOM 600 OE1 GLU A 460 -4.046 18.438 2.274 1.00 0.00 O ATOM 601 OE2 GLU A 460 -5.548 17.208 1.147 1.00 0.00 O ATOM 0 H GLU A 460 -3.324 14.427 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.952 16.274 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -2.868 17.942 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.080 16.715 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.473 15.592 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.297 16.854 1.378 1.00 0.00 H new ATOM 609 N ILE A 461 -0.298 15.198 0.215 1.00 0.00 N ATOM 610 CA ILE A 461 0.968 15.256 0.926 1.00 0.00 C ATOM 611 C ILE A 461 1.960 16.100 0.123 1.00 0.00 C ATOM 612 O ILE A 461 2.628 16.972 0.676 1.00 0.00 O ATOM 613 CB ILE A 461 1.472 13.846 1.239 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.445 13.066 2.062 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.840 13.892 1.923 1.00 0.00 C ATOM 616 CD1 ILE A 461 -0.346 14.001 2.980 1.00 0.00 C ATOM 0 H ILE A 461 -0.829 14.339 0.359 1.00 0.00 H new ATOM 0 HA ILE A 461 0.841 15.745 1.892 1.00 0.00 H new ATOM 0 HB ILE A 461 1.601 13.313 0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 461 -0.239 12.542 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 461 0.952 12.308 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 461 3.175 12.877 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 461 3.559 14.382 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.762 14.450 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -1.069 13.421 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 461 0.338 14.505 3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 461 -0.871 14.743 2.378 1.00 0.00 H new ATOM 628 N SER A 462 2.025 15.811 -1.168 1.00 0.00 N ATOM 629 CA SER A 462 2.925 16.532 -2.052 1.00 0.00 C ATOM 630 C SER A 462 3.286 15.659 -3.256 1.00 0.00 C ATOM 631 O SER A 462 4.450 15.588 -3.648 1.00 0.00 O ATOM 632 CB SER A 462 4.191 16.968 -1.313 1.00 0.00 C ATOM 633 OG SER A 462 4.075 18.288 -0.788 1.00 0.00 O ATOM 0 H SER A 462 1.469 15.087 -1.623 1.00 0.00 H new ATOM 0 HA SER A 462 2.415 17.429 -2.402 1.00 0.00 H new ATOM 0 HB2 SER A 462 4.394 16.271 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 462 5.042 16.922 -1.993 1.00 0.00 H new ATOM 0 HG SER A 462 3.312 18.330 -0.175 1.00 0.00 H new ATOM 639 N GLY A 463 2.268 15.017 -3.808 1.00 0.00 N ATOM 640 CA GLY A 463 2.464 14.151 -4.959 1.00 0.00 C ATOM 641 C GLY A 463 2.604 12.690 -4.528 1.00 0.00 C ATOM 642 O GLY A 463 3.501 11.986 -4.989 1.00 0.00 O ATOM 0 H GLY A 463 1.304 15.079 -3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 463 1.621 14.253 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 463 3.356 14.460 -5.504 1.00 0.00 H new ATOM 646 N TYR A 464 1.703 12.277 -3.649 1.00 0.00 N ATOM 647 CA TYR A 464 1.714 10.912 -3.151 1.00 0.00 C ATOM 648 C TYR A 464 0.353 10.243 -3.351 1.00 0.00 C ATOM 649 O TYR A 464 -0.572 10.857 -3.880 1.00 0.00 O ATOM 650 CB TYR A 464 2.004 11.013 -1.652 1.00 0.00 C ATOM 651 CG TYR A 464 3.476 10.813 -1.287 1.00 0.00 C ATOM 652 CD1 TYR A 464 4.428 11.697 -1.753 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.852 9.750 -0.492 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.814 11.509 -1.410 1.00 0.00 C ATOM 655 CE2 TYR A 464 5.238 9.562 -0.149 1.00 0.00 C ATOM 656 CZ TYR A 464 6.151 10.451 -0.625 1.00 0.00 C ATOM 657 OH TYR A 464 7.460 10.274 -0.301 1.00 0.00 O ATOM 0 H TYR A 464 0.960 12.864 -3.269 1.00 0.00 H new ATOM 0 HA TYR A 464 2.456 10.316 -3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.682 11.991 -1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.406 10.269 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 464 4.134 12.530 -2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 464 3.107 9.059 -0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.569 12.193 -1.768 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.546 8.734 0.472 1.00 0.00 H new ATOM 0 HH TYR A 464 7.605 9.347 -0.020 1.00 0.00 H new ATOM 667 N ALA A 465 0.274 8.993 -2.918 1.00 0.00 N ATOM 668 CA ALA A 465 -0.959 8.235 -3.044 1.00 0.00 C ATOM 669 C ALA A 465 -1.376 7.716 -1.667 1.00 0.00 C ATOM 670 O ALA A 465 -0.527 7.369 -0.847 1.00 0.00 O ATOM 671 CB ALA A 465 -0.762 7.106 -4.058 1.00 0.00 C ATOM 0 H ALA A 465 1.043 8.487 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 465 -1.764 8.869 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.687 6.537 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.495 7.529 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 465 0.037 6.447 -3.718 1.00 0.00 H new ATOM 677 N LYS A 466 -2.684 7.678 -1.455 1.00 0.00 N ATOM 678 CA LYS A 466 -3.224 7.207 -0.191 1.00 0.00 C ATOM 679 C LYS A 466 -4.200 6.059 -0.454 1.00 0.00 C ATOM 680 O LYS A 466 -4.890 6.048 -1.473 1.00 0.00 O ATOM 681 CB LYS A 466 -3.837 8.368 0.595 1.00 0.00 C ATOM 682 CG LYS A 466 -2.763 9.374 1.014 1.00 0.00 C ATOM 683 CD LYS A 466 -3.375 10.752 1.274 1.00 0.00 C ATOM 684 CE LYS A 466 -4.211 10.747 2.555 1.00 0.00 C ATOM 685 NZ LYS A 466 -4.780 12.090 2.808 1.00 0.00 N ATOM 0 H LYS A 466 -3.385 7.966 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.428 6.810 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.590 8.867 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.346 7.985 1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.259 9.020 1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.006 9.450 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.583 11.496 1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.999 11.042 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.014 10.015 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.592 10.443 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.345 12.069 3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.009 12.780 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.387 12.366 2.010 1.00 0.00 H new ATOM 698 N ILE A 467 -4.228 5.121 0.481 1.00 0.00 N ATOM 699 CA ILE A 467 -5.108 3.972 0.363 1.00 0.00 C ATOM 700 C ILE A 467 -5.491 3.482 1.761 1.00 0.00 C ATOM 701 O ILE A 467 -4.632 3.340 2.630 1.00 0.00 O ATOM 702 CB ILE A 467 -4.466 2.893 -0.512 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.516 2.187 -1.372 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.661 1.906 0.336 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.252 3.185 -2.268 1.00 0.00 C ATOM 0 H ILE A 467 -3.655 5.134 1.324 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.033 4.251 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.766 3.378 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.036 1.426 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -6.231 1.673 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.216 1.150 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -2.873 2.440 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.321 1.424 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -6.993 2.657 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -6.751 3.930 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -5.537 3.680 -2.926 1.00 0.00 H new ATOM 717 N THR A 468 -6.781 3.236 1.934 1.00 0.00 N ATOM 718 CA THR A 468 -7.288 2.766 3.212 1.00 0.00 C ATOM 719 C THR A 468 -8.079 1.469 3.027 1.00 0.00 C ATOM 720 O THR A 468 -9.023 1.421 2.240 1.00 0.00 O ATOM 721 CB THR A 468 -8.109 3.894 3.839 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.428 5.081 3.443 1.00 0.00 O ATOM 723 CG2 THR A 468 -8.018 3.905 5.367 1.00 0.00 C ATOM 0 H THR A 468 -7.490 3.353 1.211 1.00 0.00 H new ATOM 0 HA THR A 468 -6.474 2.520 3.894 1.00 0.00 H new ATOM 0 HB THR A 468 -9.152 3.794 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 468 -7.895 5.863 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.619 4.725 5.761 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.391 2.960 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 468 -6.979 4.039 5.669 1.00 0.00 H new ATOM 731 N VAL A 469 -7.665 0.450 3.765 1.00 0.00 N ATOM 732 CA VAL A 469 -8.323 -0.843 3.692 1.00 0.00 C ATOM 733 C VAL A 469 -8.624 -1.338 5.108 1.00 0.00 C ATOM 734 O VAL A 469 -7.775 -1.249 5.994 1.00 0.00 O ATOM 735 CB VAL A 469 -7.466 -1.821 2.886 1.00 0.00 C ATOM 736 CG1 VAL A 469 -8.282 -3.044 2.461 1.00 0.00 C ATOM 737 CG2 VAL A 469 -6.840 -1.131 1.673 1.00 0.00 C ATOM 0 H VAL A 469 -6.882 0.494 4.417 1.00 0.00 H new ATOM 0 HA VAL A 469 -9.275 -0.758 3.168 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.657 -2.166 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -7.649 -3.723 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -8.657 -3.557 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -9.122 -2.725 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.236 -1.849 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.628 -0.744 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.209 -0.308 2.008 1.00 0.00 H new ATOM 747 N ASP A 470 -9.834 -1.850 5.278 1.00 0.00 N ATOM 748 CA ASP A 470 -10.257 -2.359 6.571 1.00 0.00 C ATOM 749 C ASP A 470 -9.791 -3.808 6.721 1.00 0.00 C ATOM 750 O ASP A 470 -9.725 -4.548 5.740 1.00 0.00 O ATOM 751 CB ASP A 470 -11.782 -2.337 6.700 1.00 0.00 C ATOM 752 CG ASP A 470 -12.343 -3.134 7.879 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.512 -2.603 8.986 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.614 -4.369 7.622 1.00 0.00 O ATOM 0 H ASP A 470 -10.535 -1.923 4.541 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.821 -1.724 7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -12.109 -1.301 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -12.215 -2.727 5.779 1.00 0.00 H new ATOM 760 N ILE A 471 -9.480 -4.171 7.957 1.00 0.00 N ATOM 761 CA ILE A 471 -9.021 -5.519 8.248 1.00 0.00 C ATOM 762 C ILE A 471 -9.930 -6.144 9.309 1.00 0.00 C ATOM 763 O ILE A 471 -9.738 -7.297 9.694 1.00 0.00 O ATOM 764 CB ILE A 471 -7.541 -5.509 8.635 1.00 0.00 C ATOM 765 CG1 ILE A 471 -7.330 -4.815 9.982 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.689 -4.884 7.528 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.860 -4.867 10.401 1.00 0.00 C ATOM 0 H ILE A 471 -9.537 -3.555 8.768 1.00 0.00 H new ATOM 0 HA ILE A 471 -9.090 -6.146 7.359 1.00 0.00 H new ATOM 0 HB ILE A 471 -7.212 -6.542 8.751 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.656 -3.777 9.915 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.946 -5.295 10.743 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.641 -4.889 7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -6.806 -5.460 6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -7.012 -3.857 7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -5.738 -4.367 11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -5.544 -5.906 10.490 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -5.250 -4.365 9.650 1.00 0.00 H new ATOM 779 N GLY A 472 -10.899 -5.356 9.751 1.00 0.00 N ATOM 780 CA GLY A 472 -11.837 -5.818 10.760 1.00 0.00 C ATOM 781 C GLY A 472 -11.737 -7.333 10.949 1.00 0.00 C ATOM 782 O GLY A 472 -12.098 -8.099 10.056 1.00 0.00 O ATOM 0 H GLY A 472 -11.055 -4.401 9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -11.635 -5.316 11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.852 -5.551 10.467 1.00 0.00 H new ATOM 786 N SER A 473 -11.246 -7.720 12.117 1.00 0.00 N ATOM 787 CA SER A 473 -11.094 -9.130 12.434 1.00 0.00 C ATOM 788 C SER A 473 -9.643 -9.563 12.212 1.00 0.00 C ATOM 789 O SER A 473 -9.256 -10.667 12.593 1.00 0.00 O ATOM 790 CB SER A 473 -12.039 -9.989 11.592 1.00 0.00 C ATOM 791 OG SER A 473 -12.299 -11.251 12.201 1.00 0.00 O ATOM 0 H SER A 473 -10.948 -7.082 12.855 1.00 0.00 H new ATOM 0 HA SER A 473 -11.353 -9.274 13.483 1.00 0.00 H new ATOM 0 HB2 SER A 473 -12.979 -9.457 11.445 1.00 0.00 H new ATOM 0 HB3 SER A 473 -11.604 -10.146 10.605 1.00 0.00 H new ATOM 0 HG SER A 473 -12.907 -11.769 11.634 1.00 0.00 H new ATOM 797 N ALA A 474 -8.881 -8.671 11.596 1.00 0.00 N ATOM 798 CA ALA A 474 -7.482 -8.947 11.319 1.00 0.00 C ATOM 799 C ALA A 474 -6.611 -7.907 12.026 1.00 0.00 C ATOM 800 O ALA A 474 -6.953 -6.726 12.060 1.00 0.00 O ATOM 801 CB ALA A 474 -7.255 -8.965 9.806 1.00 0.00 C ATOM 0 H ALA A 474 -9.206 -7.757 11.281 1.00 0.00 H new ATOM 0 HA ALA A 474 -7.202 -9.928 11.703 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -6.205 -9.172 9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.874 -9.740 9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.524 -7.996 9.386 1.00 0.00 H new ATOM 807 N SER A 475 -5.502 -8.383 12.573 1.00 0.00 N ATOM 808 CA SER A 475 -4.580 -7.509 13.278 1.00 0.00 C ATOM 809 C SER A 475 -3.545 -6.945 12.303 1.00 0.00 C ATOM 810 O SER A 475 -2.816 -6.012 12.637 1.00 0.00 O ATOM 811 CB SER A 475 -3.883 -8.250 14.421 1.00 0.00 C ATOM 812 OG SER A 475 -3.973 -9.665 14.274 1.00 0.00 O ATOM 0 H SER A 475 -5.221 -9.363 12.542 1.00 0.00 H new ATOM 0 HA SER A 475 -5.151 -6.686 13.709 1.00 0.00 H new ATOM 0 HB2 SER A 475 -2.834 -7.955 14.458 1.00 0.00 H new ATOM 0 HB3 SER A 475 -4.330 -7.955 15.370 1.00 0.00 H new ATOM 0 HG SER A 475 -3.515 -10.101 15.022 1.00 0.00 H new ATOM 818 N GLN A 476 -3.513 -7.534 11.116 1.00 0.00 N ATOM 819 CA GLN A 476 -2.579 -7.102 10.091 1.00 0.00 C ATOM 820 C GLN A 476 -3.165 -7.353 8.700 1.00 0.00 C ATOM 821 O GLN A 476 -4.102 -8.135 8.549 1.00 0.00 O ATOM 822 CB GLN A 476 -1.228 -7.801 10.250 1.00 0.00 C ATOM 823 CG GLN A 476 -0.341 -7.059 11.252 1.00 0.00 C ATOM 824 CD GLN A 476 0.933 -7.852 11.550 1.00 0.00 C ATOM 825 OE1 GLN A 476 1.338 -8.021 12.689 1.00 0.00 O ATOM 826 NE2 GLN A 476 1.539 -8.329 10.467 1.00 0.00 N ATOM 0 H GLN A 476 -4.119 -8.307 10.842 1.00 0.00 H new ATOM 0 HA GLN A 476 -2.413 -6.031 10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.382 -8.827 10.585 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.726 -7.854 9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -0.079 -6.079 10.854 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -0.893 -6.890 12.177 1.00 0.00 H new ATOM 0 HE21 GLN A 476 1.146 -8.151 9.543 1.00 0.00 H new ATOM 0 HE22 GLN A 476 2.397 -8.873 10.560 1.00 0.00 H new ATOM 835 N LEU A 477 -2.589 -6.673 7.719 1.00 0.00 N ATOM 836 CA LEU A 477 -3.043 -6.812 6.345 1.00 0.00 C ATOM 837 C LEU A 477 -1.834 -6.797 5.409 1.00 0.00 C ATOM 838 O LEU A 477 -0.924 -5.986 5.577 1.00 0.00 O ATOM 839 CB LEU A 477 -4.089 -5.745 6.016 1.00 0.00 C ATOM 840 CG LEU A 477 -4.074 -5.211 4.582 1.00 0.00 C ATOM 841 CD1 LEU A 477 -5.487 -4.853 4.116 1.00 0.00 C ATOM 842 CD2 LEU A 477 -3.110 -4.031 4.446 1.00 0.00 C ATOM 0 H LEU A 477 -1.812 -6.025 7.848 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.543 -7.770 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.077 -6.158 6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.949 -4.905 6.697 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.709 -6.002 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -5.448 -4.476 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -6.118 -5.741 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -5.903 -4.086 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.119 -3.671 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -3.421 -3.228 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -2.102 -4.352 4.709 1.00 0.00 H new ATOM 854 N GLU A 478 -1.862 -7.704 4.443 1.00 0.00 N ATOM 855 CA GLU A 478 -0.779 -7.805 3.480 1.00 0.00 C ATOM 856 C GLU A 478 -1.185 -7.159 2.154 1.00 0.00 C ATOM 857 O GLU A 478 -2.232 -7.484 1.596 1.00 0.00 O ATOM 858 CB GLU A 478 -0.363 -9.263 3.275 1.00 0.00 C ATOM 859 CG GLU A 478 0.898 -9.358 2.413 1.00 0.00 C ATOM 860 CD GLU A 478 2.130 -9.645 3.273 1.00 0.00 C ATOM 861 OE1 GLU A 478 2.941 -10.517 2.924 1.00 0.00 O ATOM 862 OE2 GLU A 478 2.231 -8.925 4.339 1.00 0.00 O ATOM 0 H GLU A 478 -2.618 -8.375 4.307 1.00 0.00 H new ATOM 0 HA GLU A 478 0.083 -7.267 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -0.183 -9.733 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -1.175 -9.813 2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 478 0.777 -10.147 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 478 1.041 -8.425 1.867 1.00 0.00 H new ATOM 870 N ALA A 479 -0.335 -6.256 1.688 1.00 0.00 N ATOM 871 CA ALA A 479 -0.592 -5.562 0.438 1.00 0.00 C ATOM 872 C ALA A 479 0.725 -5.375 -0.318 1.00 0.00 C ATOM 873 O ALA A 479 1.802 -5.530 0.257 1.00 0.00 O ATOM 874 CB ALA A 479 -1.291 -4.232 0.727 1.00 0.00 C ATOM 0 H ALA A 479 0.532 -5.989 2.154 1.00 0.00 H new ATOM 0 HA ALA A 479 -1.256 -6.149 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -1.484 -3.711 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -2.235 -4.421 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 479 -0.653 -3.615 1.360 1.00 0.00 H new ATOM 880 N ALA A 480 0.596 -5.045 -1.595 1.00 0.00 N ATOM 881 CA ALA A 480 1.763 -4.836 -2.435 1.00 0.00 C ATOM 882 C ALA A 480 1.524 -3.626 -3.340 1.00 0.00 C ATOM 883 O ALA A 480 0.393 -3.162 -3.477 1.00 0.00 O ATOM 884 CB ALA A 480 2.055 -6.110 -3.229 1.00 0.00 C ATOM 0 H ALA A 480 -0.299 -4.917 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 480 2.642 -4.623 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 480 2.930 -5.953 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 480 2.247 -6.932 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 480 1.196 -6.354 -3.855 1.00 0.00 H new ATOM 890 N PHE A 481 2.608 -3.150 -3.936 1.00 0.00 N ATOM 891 CA PHE A 481 2.530 -2.002 -4.824 1.00 0.00 C ATOM 892 C PHE A 481 2.763 -2.418 -6.278 1.00 0.00 C ATOM 893 O PHE A 481 3.572 -3.303 -6.553 1.00 0.00 O ATOM 894 CB PHE A 481 3.635 -1.033 -4.401 1.00 0.00 C ATOM 895 CG PHE A 481 4.107 -0.100 -5.518 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.198 0.600 -6.248 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.435 0.028 -5.782 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.636 1.466 -7.285 1.00 0.00 C ATOM 899 CE2 PHE A 481 5.873 0.894 -6.819 1.00 0.00 C ATOM 900 CZ PHE A 481 4.964 1.594 -7.549 1.00 0.00 C ATOM 0 H PHE A 481 3.544 -3.538 -3.821 1.00 0.00 H new ATOM 0 HA PHE A 481 1.542 -1.546 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.276 -0.431 -3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.487 -1.607 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.143 0.497 -6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.157 -0.529 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 481 2.914 2.023 -7.864 1.00 0.00 H new ATOM 0 HE2 PHE A 481 6.928 0.997 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.297 2.252 -8.338 1.00 0.00 H new ATOM 910 N ASN A 482 2.038 -1.760 -7.171 1.00 0.00 N ATOM 911 CA ASN A 482 2.155 -2.051 -8.590 1.00 0.00 C ATOM 912 C ASN A 482 1.554 -0.896 -9.394 1.00 0.00 C ATOM 913 O ASN A 482 0.486 -0.389 -9.055 1.00 0.00 O ATOM 914 CB ASN A 482 1.395 -3.327 -8.955 1.00 0.00 C ATOM 915 CG ASN A 482 -0.113 -3.072 -9.005 1.00 0.00 C ATOM 916 OD1 ASN A 482 -0.716 -2.961 -10.060 1.00 0.00 O ATOM 917 ND2 ASN A 482 -0.687 -2.986 -7.808 1.00 0.00 N ATOM 0 H ASN A 482 1.368 -1.027 -6.940 1.00 0.00 H new ATOM 0 HA ASN A 482 3.212 -2.182 -8.821 1.00 0.00 H new ATOM 0 HB2 ASN A 482 1.738 -3.694 -9.922 1.00 0.00 H new ATOM 0 HB3 ASN A 482 1.612 -4.105 -8.223 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -1.690 -2.818 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 482 -0.124 -3.088 -6.964 1.00 0.00 H new ATOM 924 N ASP A 483 2.266 -0.515 -10.444 1.00 0.00 N ATOM 925 CA ASP A 483 1.816 0.571 -11.299 1.00 0.00 C ATOM 926 C ASP A 483 0.560 0.133 -12.054 1.00 0.00 C ATOM 927 O ASP A 483 -0.157 0.964 -12.609 1.00 0.00 O ATOM 928 CB ASP A 483 2.884 0.938 -12.331 1.00 0.00 C ATOM 929 CG ASP A 483 3.431 -0.238 -13.142 1.00 0.00 C ATOM 930 OD1 ASP A 483 4.185 -0.051 -14.109 1.00 0.00 O ATOM 931 OD2 ASP A 483 3.048 -1.402 -12.741 1.00 0.00 O ATOM 0 H ASP A 483 3.151 -0.939 -10.722 1.00 0.00 H new ATOM 0 HA ASP A 483 1.613 1.436 -10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.465 1.671 -13.020 1.00 0.00 H new ATOM 0 HB3 ASP A 483 3.714 1.422 -11.816 1.00 0.00 H new ATOM 1097 N ASN A 495 5.445 -9.719 -0.640 1.00 0.00 N ATOM 1098 CA ASN A 495 4.292 -8.935 -0.232 1.00 0.00 C ATOM 1099 C ASN A 495 4.587 -8.264 1.112 1.00 0.00 C ATOM 1100 O ASN A 495 5.265 -8.840 1.961 1.00 0.00 O ATOM 1101 CB ASN A 495 3.057 -9.820 -0.057 1.00 0.00 C ATOM 1102 CG ASN A 495 1.981 -9.469 -1.086 1.00 0.00 C ATOM 1103 OD1 ASN A 495 1.292 -8.467 -0.986 1.00 0.00 O ATOM 1104 ND2 ASN A 495 1.875 -10.348 -2.079 1.00 0.00 N ATOM 0 HA ASN A 495 4.097 -8.194 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 495 3.338 -10.868 -0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 495 2.657 -9.697 0.949 1.00 0.00 H new ATOM 0 HD21 ASN A 495 1.185 -10.203 -2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 495 2.483 -11.166 -2.103 1.00 0.00 H new ATOM 1111 N TYR A 496 4.063 -7.056 1.262 1.00 0.00 N ATOM 1112 CA TYR A 496 4.262 -6.301 2.487 1.00 0.00 C ATOM 1113 C TYR A 496 3.112 -6.537 3.469 1.00 0.00 C ATOM 1114 O TYR A 496 2.014 -6.916 3.065 1.00 0.00 O ATOM 1115 CB TYR A 496 4.273 -4.828 2.077 1.00 0.00 C ATOM 1116 CG TYR A 496 5.502 -4.418 1.262 1.00 0.00 C ATOM 1117 CD1 TYR A 496 6.760 -4.496 1.824 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.351 -3.969 -0.034 1.00 0.00 C ATOM 1119 CE1 TYR A 496 7.916 -4.111 1.057 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.508 -3.583 -0.801 1.00 0.00 C ATOM 1121 CZ TYR A 496 7.733 -3.673 -0.218 1.00 0.00 C ATOM 1122 OH TYR A 496 8.825 -3.309 -0.942 1.00 0.00 O ATOM 0 H TYR A 496 3.501 -6.582 0.555 1.00 0.00 H new ATOM 0 HA TYR A 496 5.186 -6.604 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.376 -4.617 1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.222 -4.211 2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 496 6.877 -4.846 2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.366 -3.907 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 496 8.906 -4.169 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.405 -3.230 -1.816 1.00 0.00 H new ATOM 0 HH TYR A 496 8.802 -3.754 -1.815 1.00 0.00 H new ATOM 1132 N SER A 497 3.404 -6.301 4.740 1.00 0.00 N ATOM 1133 CA SER A 497 2.408 -6.483 5.782 1.00 0.00 C ATOM 1134 C SER A 497 2.351 -5.241 6.674 1.00 0.00 C ATOM 1135 O SER A 497 3.386 -4.721 7.087 1.00 0.00 O ATOM 1136 CB SER A 497 2.710 -7.726 6.622 1.00 0.00 C ATOM 1137 OG SER A 497 3.840 -8.441 6.129 1.00 0.00 O ATOM 0 H SER A 497 4.316 -5.986 5.071 1.00 0.00 H new ATOM 0 HA SER A 497 1.438 -6.626 5.306 1.00 0.00 H new ATOM 0 HB2 SER A 497 2.891 -7.430 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 497 1.839 -8.382 6.626 1.00 0.00 H new ATOM 0 HG SER A 497 3.699 -8.666 5.186 1.00 0.00 H new ATOM 1143 N PHE A 498 1.131 -4.801 6.943 1.00 0.00 N ATOM 1144 CA PHE A 498 0.925 -3.629 7.778 1.00 0.00 C ATOM 1145 C PHE A 498 -0.149 -3.891 8.835 1.00 0.00 C ATOM 1146 O PHE A 498 -1.176 -4.502 8.544 1.00 0.00 O ATOM 1147 CB PHE A 498 0.454 -2.502 6.857 1.00 0.00 C ATOM 1148 CG PHE A 498 1.037 -2.566 5.445 1.00 0.00 C ATOM 1149 CD1 PHE A 498 0.470 -3.376 4.511 1.00 0.00 C ATOM 1150 CD2 PHE A 498 2.124 -1.814 5.123 1.00 0.00 C ATOM 1151 CE1 PHE A 498 1.012 -3.435 3.199 1.00 0.00 C ATOM 1152 CE2 PHE A 498 2.666 -1.874 3.812 1.00 0.00 C ATOM 1153 CZ PHE A 498 2.098 -2.683 2.878 1.00 0.00 C ATOM 0 H PHE A 498 0.275 -5.235 6.598 1.00 0.00 H new ATOM 0 HA PHE A 498 1.850 -3.373 8.295 1.00 0.00 H new ATOM 0 HB2 PHE A 498 -0.634 -2.531 6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 498 0.720 -1.545 7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 498 -0.392 -3.974 4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 498 2.575 -1.171 5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 498 0.561 -4.077 2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 498 3.529 -1.277 3.557 1.00 0.00 H new ATOM 0 HZ PHE A 498 2.510 -2.728 1.881 1.00 0.00 H new ATOM 1163 N SER A 499 0.125 -3.416 10.041 1.00 0.00 N ATOM 1164 CA SER A 499 -0.804 -3.592 11.144 1.00 0.00 C ATOM 1165 C SER A 499 -1.679 -2.345 11.295 1.00 0.00 C ATOM 1166 O SER A 499 -1.259 -1.242 10.948 1.00 0.00 O ATOM 1167 CB SER A 499 -0.062 -3.880 12.450 1.00 0.00 C ATOM 1168 OG SER A 499 1.325 -3.566 12.356 1.00 0.00 O ATOM 0 H SER A 499 0.978 -2.909 10.279 1.00 0.00 H new ATOM 0 HA SER A 499 -1.439 -4.450 10.922 1.00 0.00 H new ATOM 0 HB2 SER A 499 -0.511 -3.301 13.257 1.00 0.00 H new ATOM 0 HB3 SER A 499 -0.179 -4.932 12.709 1.00 0.00 H new ATOM 0 HG SER A 499 1.763 -3.762 13.210 1.00 0.00 H new ATOM 1174 N THR A 500 -2.879 -2.563 11.811 1.00 0.00 N ATOM 1175 CA THR A 500 -3.817 -1.471 12.012 1.00 0.00 C ATOM 1176 C THR A 500 -3.066 -0.155 12.225 1.00 0.00 C ATOM 1177 O THR A 500 -2.053 -0.121 12.923 1.00 0.00 O ATOM 1178 CB THR A 500 -4.734 -1.843 13.178 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.836 -2.205 14.224 1.00 0.00 O ATOM 1180 CG2 THR A 500 -5.531 -3.122 12.912 1.00 0.00 C ATOM 0 H THR A 500 -3.224 -3.480 12.096 1.00 0.00 H new ATOM 0 HA THR A 500 -4.437 -1.316 11.129 1.00 0.00 H new ATOM 0 HB THR A 500 -5.422 -1.021 13.375 1.00 0.00 H new ATOM 0 HG1 THR A 500 -4.347 -2.459 15.021 1.00 0.00 H new ATOM 0 HG21 THR A 500 -6.166 -3.341 13.771 1.00 0.00 H new ATOM 0 HG22 THR A 500 -6.153 -2.986 12.027 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.843 -3.952 12.748 1.00 0.00 H new ATOM 1188 N GLY A 501 -3.591 0.895 11.611 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.982 2.210 11.725 1.00 0.00 C ATOM 1190 C GLY A 501 -2.678 2.794 10.344 1.00 0.00 C ATOM 1191 O GLY A 501 -3.423 2.567 9.392 1.00 0.00 O ATOM 0 H GLY A 501 -4.431 0.862 11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.650 2.879 12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -2.062 2.140 12.305 1.00 0.00 H new ATOM 1195 N THR A 502 -1.583 3.537 10.279 1.00 0.00 N ATOM 1196 CA THR A 502 -1.172 4.157 9.031 1.00 0.00 C ATOM 1197 C THR A 502 0.300 3.852 8.744 1.00 0.00 C ATOM 1198 O THR A 502 1.130 3.870 9.651 1.00 0.00 O ATOM 1199 CB THR A 502 -1.475 5.654 9.124 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.793 5.708 9.664 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.609 6.310 7.748 1.00 0.00 C ATOM 0 H THR A 502 -0.968 3.724 11.071 1.00 0.00 H new ATOM 0 HA THR A 502 -1.727 3.750 8.186 1.00 0.00 H new ATOM 0 HB THR A 502 -0.685 6.150 9.688 1.00 0.00 H new ATOM 0 HG1 THR A 502 -3.069 6.643 9.760 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.824 7.372 7.870 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.677 6.190 7.195 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.422 5.837 7.197 1.00 0.00 H new ATOM 1209 N SER A 503 0.578 3.579 7.477 1.00 0.00 N ATOM 1210 CA SER A 503 1.935 3.271 7.059 1.00 0.00 C ATOM 1211 C SER A 503 2.275 4.036 5.779 1.00 0.00 C ATOM 1212 O SER A 503 1.399 4.291 4.953 1.00 0.00 O ATOM 1213 CB SER A 503 2.116 1.767 6.843 1.00 0.00 C ATOM 1214 OG SER A 503 0.908 1.139 6.420 1.00 0.00 O ATOM 0 H SER A 503 -0.113 3.565 6.727 1.00 0.00 H new ATOM 0 HA SER A 503 2.616 3.582 7.851 1.00 0.00 H new ATOM 0 HB2 SER A 503 2.893 1.599 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.459 1.306 7.769 1.00 0.00 H new ATOM 0 HG SER A 503 1.113 0.261 6.035 1.00 0.00 H new ATOM 1220 N THR A 504 3.548 4.380 5.653 1.00 0.00 N ATOM 1221 CA THR A 504 4.014 5.112 4.487 1.00 0.00 C ATOM 1222 C THR A 504 4.986 4.254 3.673 1.00 0.00 C ATOM 1223 O THR A 504 5.837 3.570 4.238 1.00 0.00 O ATOM 1224 CB THR A 504 4.623 6.430 4.969 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.494 7.237 5.291 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.321 7.198 3.844 1.00 0.00 C ATOM 0 H THR A 504 4.272 4.165 6.339 1.00 0.00 H new ATOM 0 HA THR A 504 3.192 5.346 3.811 1.00 0.00 H new ATOM 0 HB THR A 504 5.336 6.229 5.769 1.00 0.00 H new ATOM 0 HG1 THR A 504 2.710 6.664 5.426 1.00 0.00 H new ATOM 0 HG21 THR A 504 5.736 8.125 4.239 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.125 6.588 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.600 7.428 3.059 1.00 0.00 H new ATOM 1234 N TYR A 505 4.825 4.320 2.360 1.00 0.00 N ATOM 1235 CA TYR A 505 5.677 3.559 1.463 1.00 0.00 C ATOM 1236 C TYR A 505 6.414 4.482 0.491 1.00 0.00 C ATOM 1237 O TYR A 505 5.788 5.249 -0.239 1.00 0.00 O ATOM 1238 CB TYR A 505 4.742 2.644 0.668 1.00 0.00 C ATOM 1239 CG TYR A 505 5.466 1.566 -0.141 1.00 0.00 C ATOM 1240 CD1 TYR A 505 6.541 0.896 0.408 1.00 0.00 C ATOM 1241 CD2 TYR A 505 5.044 1.263 -1.419 1.00 0.00 C ATOM 1242 CE1 TYR A 505 7.222 -0.118 -0.354 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.725 0.249 -2.181 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.780 -0.392 -1.611 1.00 0.00 C ATOM 1245 OH TYR A 505 7.423 -1.350 -2.330 1.00 0.00 O ATOM 0 H TYR A 505 4.117 4.889 1.896 1.00 0.00 H new ATOM 0 HA TYR A 505 6.427 3.004 2.026 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.049 2.162 1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.145 3.253 -0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.871 1.132 1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.202 1.787 -1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 505 8.065 -0.649 0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.405 0.003 -3.183 1.00 0.00 H new ATOM 0 HH TYR A 505 7.724 -2.063 -1.729 1.00 0.00 H new ATOM 1255 N THR A 506 7.735 4.378 0.513 1.00 0.00 N ATOM 1256 CA THR A 506 8.565 5.195 -0.357 1.00 0.00 C ATOM 1257 C THR A 506 9.528 4.314 -1.156 1.00 0.00 C ATOM 1258 O THR A 506 9.970 3.274 -0.672 1.00 0.00 O ATOM 1259 CB THR A 506 9.273 6.239 0.509 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.297 7.262 0.687 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.414 6.937 -0.232 1.00 0.00 C ATOM 0 H THR A 506 8.251 3.741 1.119 1.00 0.00 H new ATOM 0 HA THR A 506 7.963 5.721 -1.099 1.00 0.00 H new ATOM 0 HB THR A 506 9.663 5.761 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.672 7.979 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.883 7.668 0.427 1.00 0.00 H new ATOM 0 HG22 THR A 506 11.154 6.198 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 506 10.020 7.443 -1.113 1.00 0.00 H new ATOM 1269 N PRO A 507 9.831 4.776 -2.398 1.00 0.00 N ATOM 1270 CA PRO A 507 10.734 4.042 -3.269 1.00 0.00 C ATOM 1271 C PRO A 507 12.186 4.204 -2.816 1.00 0.00 C ATOM 1272 O PRO A 507 12.576 5.268 -2.337 1.00 0.00 O ATOM 1273 CB PRO A 507 10.479 4.601 -4.660 1.00 0.00 C ATOM 1274 CG PRO A 507 9.788 5.939 -4.451 1.00 0.00 C ATOM 1275 CD PRO A 507 9.326 6.004 -3.005 1.00 0.00 C ATOM 0 HA PRO A 507 10.558 2.967 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 507 11.413 4.725 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.854 3.925 -5.244 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.471 6.760 -4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.940 6.040 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.722 6.886 -2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 507 8.239 6.061 -2.939 1.00 0.00 H new ATOM 1346 N GLY A 514 11.937 -0.518 -1.616 1.00 0.00 N ATOM 1347 CA GLY A 514 10.614 -0.244 -1.081 1.00 0.00 C ATOM 1348 C GLY A 514 10.651 -0.135 0.445 1.00 0.00 C ATOM 1349 O GLY A 514 10.630 -1.148 1.143 1.00 0.00 O ATOM 0 HA2 GLY A 514 10.231 0.684 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.927 -1.037 -1.376 1.00 0.00 H new ATOM 1353 N THR A 515 10.705 1.101 0.917 1.00 0.00 N ATOM 1354 CA THR A 515 10.746 1.355 2.347 1.00 0.00 C ATOM 1355 C THR A 515 9.335 1.599 2.886 1.00 0.00 C ATOM 1356 O THR A 515 8.538 2.293 2.257 1.00 0.00 O ATOM 1357 CB THR A 515 11.701 2.525 2.593 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.656 3.270 1.380 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.160 2.077 2.702 1.00 0.00 C ATOM 0 H THR A 515 10.721 1.938 0.335 1.00 0.00 H new ATOM 0 HA THR A 515 11.123 0.489 2.891 1.00 0.00 H new ATOM 0 HB THR A 515 11.412 3.044 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.724 3.469 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.795 2.945 2.876 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.265 1.378 3.532 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.461 1.588 1.775 1.00 0.00 H new ATOM 1367 N ILE A 516 9.069 1.014 4.045 1.00 0.00 N ATOM 1368 CA ILE A 516 7.768 1.159 4.675 1.00 0.00 C ATOM 1369 C ILE A 516 7.948 1.732 6.082 1.00 0.00 C ATOM 1370 O ILE A 516 8.856 1.330 6.809 1.00 0.00 O ATOM 1371 CB ILE A 516 7.007 -0.168 4.645 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.240 -0.903 3.323 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.519 0.046 4.927 1.00 0.00 C ATOM 1374 CD1 ILE A 516 7.808 -2.303 3.566 1.00 0.00 C ATOM 0 H ILE A 516 9.732 0.439 4.564 1.00 0.00 H new ATOM 0 HA ILE A 516 7.153 1.866 4.119 1.00 0.00 H new ATOM 0 HB ILE A 516 7.397 -0.803 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.301 -0.978 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 516 7.928 -0.331 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.002 -0.913 4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.396 0.496 5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.097 0.708 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.964 -2.803 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 516 8.759 -2.223 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 516 7.106 -2.881 4.168 1.00 0.00 H new ATOM 1386 N THR A 517 7.070 2.662 6.425 1.00 0.00 N ATOM 1387 CA THR A 517 7.121 3.295 7.732 1.00 0.00 C ATOM 1388 C THR A 517 5.764 3.188 8.430 1.00 0.00 C ATOM 1389 O THR A 517 4.748 2.935 7.784 1.00 0.00 O ATOM 1390 CB THR A 517 7.594 4.737 7.541 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.112 5.092 6.248 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.115 4.843 7.414 1.00 0.00 C ATOM 0 H THR A 517 6.318 2.993 5.820 1.00 0.00 H new ATOM 0 HA THR A 517 7.829 2.790 8.388 1.00 0.00 H new ATOM 0 HB THR A 517 7.257 5.343 8.382 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.387 6.009 6.037 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.397 5.887 7.280 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.584 4.453 8.318 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.449 4.264 6.553 1.00 0.00 H new ATOM 1400 N SER A 518 5.790 3.386 9.740 1.00 0.00 N ATOM 1401 CA SER A 518 4.575 3.314 10.533 1.00 0.00 C ATOM 1402 C SER A 518 4.132 4.721 10.940 1.00 0.00 C ATOM 1403 O SER A 518 4.559 5.235 11.973 1.00 0.00 O ATOM 1404 CB SER A 518 4.776 2.441 11.773 1.00 0.00 C ATOM 1405 OG SER A 518 5.419 3.152 12.827 1.00 0.00 O ATOM 0 H SER A 518 6.634 3.596 10.272 1.00 0.00 H new ATOM 0 HA SER A 518 3.796 2.856 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 518 3.809 2.075 12.119 1.00 0.00 H new ATOM 0 HB3 SER A 518 5.372 1.567 11.509 1.00 0.00 H new ATOM 0 HG SER A 518 4.997 4.030 12.935 1.00 0.00 H new ATOM 1411 N GLY A 519 3.282 5.304 10.107 1.00 0.00 N ATOM 1412 CA GLY A 519 2.777 6.641 10.368 1.00 0.00 C ATOM 1413 C GLY A 519 2.862 7.513 9.113 1.00 0.00 C ATOM 1414 O GLY A 519 3.892 7.543 8.442 1.00 0.00 O ATOM 0 H GLY A 519 2.931 4.875 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 519 1.742 6.583 10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.350 7.100 11.174 1.00 0.00 H new ATOM 1418 N ALA A 520 1.765 8.201 8.835 1.00 0.00 N ATOM 1419 CA ALA A 520 1.702 9.071 7.672 1.00 0.00 C ATOM 1420 C ALA A 520 2.795 10.136 7.778 1.00 0.00 C ATOM 1421 O ALA A 520 3.263 10.444 8.873 1.00 0.00 O ATOM 1422 CB ALA A 520 0.302 9.681 7.566 1.00 0.00 C ATOM 0 H ALA A 520 0.913 8.174 9.394 1.00 0.00 H new ATOM 0 HA ALA A 520 1.881 8.504 6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.254 10.333 6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.435 8.885 7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.088 10.260 8.464 1.00 0.00 H new ATOM 1428 N PRO A 521 3.181 10.683 6.594 1.00 0.00 N ATOM 1429 CA PRO A 521 4.210 11.707 6.543 1.00 0.00 C ATOM 1430 C PRO A 521 3.669 13.053 7.028 1.00 0.00 C ATOM 1431 O PRO A 521 2.489 13.352 6.853 1.00 0.00 O ATOM 1432 CB PRO A 521 4.663 11.737 5.092 1.00 0.00 C ATOM 1433 CG PRO A 521 3.557 11.065 4.296 1.00 0.00 C ATOM 1434 CD PRO A 521 2.649 10.343 5.278 1.00 0.00 C ATOM 0 HA PRO A 521 5.049 11.493 7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 521 4.821 12.761 4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.609 11.210 4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 521 2.993 11.804 3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 521 3.977 10.362 3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 521 1.614 10.669 5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 521 2.663 9.266 5.112 1.00 0.00 H new