USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 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 517 SER OG : rot 180:sc= 0.565 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 512 TYR OH : rot 180:sc= 0.523 USER MOD Set 2.2: A 526 GLN : amide:sc= 1.74 K(o=2.3,f=-5.8!) USER MOD Single : A 442 LYS NZ :NH3+ -135:sc= 0.267 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 460 SER OG : rot 66:sc= 1.25 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0.979 K(o=0.98,f=-0.014) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -76:sc= 0.202 USER MOD Single : A 498 GLN : amide:sc= 0.348 X(o=0.35,f=-0.042) USER MOD Single : A 504 CYS SG : rot 73:sc= 0.619 USER MOD Single : A 514 CYS SG : rot 180:sc= 0.149 USER MOD Single : A 516 SER OG : rot 180:sc= 0.592 USER MOD Single : A 521 LYS NZ :NH3+ -173:sc= 1.12 (180deg=1.08) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.869 13.642 -8.098 1.00 0.00 N ATOM 80 CA ARG A 441 -1.585 12.314 -8.667 1.00 0.00 C ATOM 81 C ARG A 441 -0.587 11.503 -7.826 1.00 0.00 C ATOM 82 O ARG A 441 -0.457 10.296 -8.031 1.00 0.00 O ATOM 83 CB ARG A 441 -1.098 12.444 -10.120 1.00 0.00 C ATOM 84 CG ARG A 441 -2.198 13.059 -10.997 1.00 0.00 C ATOM 85 CD ARG A 441 -1.907 13.040 -12.498 1.00 0.00 C ATOM 86 NE ARG A 441 -0.783 13.925 -12.859 1.00 0.00 N ATOM 87 CZ ARG A 441 0.469 13.577 -13.139 1.00 0.00 C ATOM 88 NH1 ARG A 441 0.890 12.331 -13.099 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.340 14.509 -13.463 1.00 0.00 N ATOM 0 HA ARG A 441 -2.522 11.758 -8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.204 13.066 -10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.820 11.464 -10.507 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.130 12.524 -10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.357 14.091 -10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -1.679 12.021 -12.809 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.799 13.348 -13.043 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.991 14.923 -12.898 1.00 0.00 H new ATOM 0 HH11 ARG A 441 0.245 11.583 -12.845 1.00 0.00 H new ATOM 0 HH12 ARG A 441 1.861 12.113 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.052 15.487 -13.497 1.00 0.00 H new ATOM 0 HH22 ARG A 441 2.303 14.253 -13.680 1.00 0.00 H new ATOM 103 N LYS A 442 0.104 12.141 -6.875 1.00 0.00 N ATOM 104 CA LYS A 442 0.962 11.483 -5.882 1.00 0.00 C ATOM 105 C LYS A 442 0.122 10.928 -4.714 1.00 0.00 C ATOM 106 O LYS A 442 -0.729 11.638 -4.176 1.00 0.00 O ATOM 107 CB LYS A 442 2.026 12.497 -5.416 1.00 0.00 C ATOM 108 CG LYS A 442 2.989 11.933 -4.356 1.00 0.00 C ATOM 109 CD LYS A 442 4.041 12.978 -3.959 1.00 0.00 C ATOM 110 CE LYS A 442 4.940 12.431 -2.842 1.00 0.00 C ATOM 111 NZ LYS A 442 5.916 13.445 -2.366 1.00 0.00 N ATOM 0 H LYS A 442 0.082 13.155 -6.772 1.00 0.00 H new ATOM 0 HA LYS A 442 1.468 10.624 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.603 12.829 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.526 13.376 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.426 11.625 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.484 11.043 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 442 4.647 13.242 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 442 3.548 13.891 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.321 12.103 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 442 5.476 11.554 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 6.855 13.007 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 5.964 14.228 -3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 5.613 13.811 -1.441 1.00 0.00 H new ATOM 125 N VAL A 443 0.373 9.684 -4.296 1.00 0.00 N ATOM 126 CA VAL A 443 -0.335 9.018 -3.184 1.00 0.00 C ATOM 127 C VAL A 443 0.645 8.203 -2.335 1.00 0.00 C ATOM 128 O VAL A 443 1.315 7.314 -2.850 1.00 0.00 O ATOM 129 CB VAL A 443 -1.468 8.093 -3.699 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.271 7.505 -2.528 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.442 8.806 -4.650 1.00 0.00 C ATOM 0 H VAL A 443 1.087 9.095 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.784 9.800 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 443 -0.970 7.299 -4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.060 6.860 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.608 6.923 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.716 8.314 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.211 8.106 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.909 9.643 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.897 9.176 -5.519 1.00 0.00 H new ATOM 141 N PHE A 444 0.716 8.484 -1.033 1.00 0.00 N ATOM 142 CA PHE A 444 1.467 7.690 -0.056 1.00 0.00 C ATOM 143 C PHE A 444 0.746 6.369 0.265 1.00 0.00 C ATOM 144 O PHE A 444 -0.480 6.352 0.396 1.00 0.00 O ATOM 145 CB PHE A 444 1.606 8.510 1.232 1.00 0.00 C ATOM 146 CG PHE A 444 2.258 7.761 2.382 1.00 0.00 C ATOM 147 CD1 PHE A 444 3.651 7.565 2.399 1.00 0.00 C ATOM 148 CD2 PHE A 444 1.464 7.208 3.408 1.00 0.00 C ATOM 149 CE1 PHE A 444 4.249 6.839 3.444 1.00 0.00 C ATOM 150 CE2 PHE A 444 2.062 6.475 4.448 1.00 0.00 C ATOM 151 CZ PHE A 444 3.456 6.291 4.467 1.00 0.00 C ATOM 0 H PHE A 444 0.243 9.287 -0.618 1.00 0.00 H new ATOM 0 HA PHE A 444 2.444 7.451 -0.476 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.191 9.405 1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.617 8.843 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 444 4.262 7.973 1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 444 0.393 7.348 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 444 5.320 6.702 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 444 1.451 6.053 5.232 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.917 5.730 5.266 1.00 0.00 H new ATOM 161 N VAL A 445 1.512 5.293 0.470 1.00 0.00 N ATOM 162 CA VAL A 445 1.029 3.983 0.937 1.00 0.00 C ATOM 163 C VAL A 445 1.941 3.468 2.053 1.00 0.00 C ATOM 164 O VAL A 445 3.155 3.401 1.863 1.00 0.00 O ATOM 165 CB VAL A 445 0.973 2.953 -0.211 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.433 1.589 0.256 1.00 0.00 C ATOM 167 CG2 VAL A 445 0.103 3.453 -1.367 1.00 0.00 C ATOM 0 H VAL A 445 2.519 5.307 0.311 1.00 0.00 H new ATOM 0 HA VAL A 445 0.015 4.113 1.316 1.00 0.00 H new ATOM 0 HB VAL A 445 2.001 2.827 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.412 0.898 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 445 1.080 1.190 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.576 1.712 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 445 0.085 2.704 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.912 3.628 -1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.516 4.383 -1.757 1.00 0.00 H new ATOM 177 N GLY A 446 1.363 3.098 3.202 1.00 0.00 N ATOM 178 CA GLY A 446 2.080 2.575 4.376 1.00 0.00 C ATOM 179 C GLY A 446 1.519 1.248 4.897 1.00 0.00 C ATOM 180 O GLY A 446 0.310 1.022 4.857 1.00 0.00 O ATOM 0 H GLY A 446 0.355 3.155 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.131 2.440 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.040 3.315 5.175 1.00 0.00 H new ATOM 184 N GLY A 447 2.394 0.385 5.423 1.00 0.00 N ATOM 185 CA GLY A 447 2.051 -0.932 5.989 1.00 0.00 C ATOM 186 C GLY A 447 2.237 -2.108 5.020 1.00 0.00 C ATOM 187 O GLY A 447 1.693 -3.186 5.266 1.00 0.00 O ATOM 0 H GLY A 447 3.393 0.586 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.665 -1.105 6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.013 -0.912 6.321 1.00 0.00 H new ATOM 191 N LEU A 448 2.972 -1.911 3.919 1.00 0.00 N ATOM 192 CA LEU A 448 3.236 -2.921 2.883 1.00 0.00 C ATOM 193 C LEU A 448 3.951 -4.163 3.470 1.00 0.00 C ATOM 194 O LEU A 448 4.821 -3.993 4.335 1.00 0.00 O ATOM 195 CB LEU A 448 4.082 -2.276 1.763 1.00 0.00 C ATOM 196 CG LEU A 448 3.312 -1.260 0.895 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.294 -0.396 0.094 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.361 -1.968 -0.084 1.00 0.00 C ATOM 0 H LEU A 448 3.415 -1.015 3.717 1.00 0.00 H new ATOM 0 HA LEU A 448 2.287 -3.267 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 448 4.940 -1.776 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.474 -3.064 1.119 1.00 0.00 H new ATOM 0 HG LEU A 448 2.725 -0.634 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.738 0.317 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 448 4.947 0.144 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.896 -1.034 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.833 -1.224 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.935 -2.620 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.639 -2.562 0.476 1.00 0.00 H new ATOM 210 N PRO A 449 3.621 -5.393 3.012 1.00 0.00 N ATOM 211 CA PRO A 449 4.275 -6.632 3.444 1.00 0.00 C ATOM 212 C PRO A 449 5.809 -6.627 3.288 1.00 0.00 C ATOM 213 O PRO A 449 6.330 -5.916 2.427 1.00 0.00 O ATOM 214 CB PRO A 449 3.653 -7.739 2.584 1.00 0.00 C ATOM 215 CG PRO A 449 2.255 -7.210 2.286 1.00 0.00 C ATOM 216 CD PRO A 449 2.505 -5.714 2.124 1.00 0.00 C ATOM 0 HA PRO A 449 4.115 -6.773 4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.223 -7.906 1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.618 -8.690 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.836 -7.653 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.558 -7.421 3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.746 -5.469 1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.618 -5.139 2.389 1.00 0.00 H new ATOM 224 N PRO A 450 6.544 -7.447 4.068 1.00 0.00 N ATOM 225 CA PRO A 450 8.005 -7.539 4.016 1.00 0.00 C ATOM 226 C PRO A 450 8.532 -8.365 2.823 1.00 0.00 C ATOM 227 O PRO A 450 9.743 -8.549 2.700 1.00 0.00 O ATOM 228 CB PRO A 450 8.397 -8.165 5.360 1.00 0.00 C ATOM 229 CG PRO A 450 7.232 -9.112 5.640 1.00 0.00 C ATOM 230 CD PRO A 450 6.031 -8.332 5.108 1.00 0.00 C ATOM 0 HA PRO A 450 8.452 -6.557 3.861 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.346 -8.698 5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.504 -7.413 6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.354 -10.067 5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.134 -9.331 6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.276 -9.008 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.555 -7.760 5.905 1.00 0.00 H new ATOM 238 N ASP A 451 7.649 -8.857 1.944 1.00 0.00 N ATOM 239 CA ASP A 451 7.971 -9.723 0.798 1.00 0.00 C ATOM 240 C ASP A 451 7.179 -9.320 -0.467 1.00 0.00 C ATOM 241 O ASP A 451 6.770 -10.158 -1.272 1.00 0.00 O ATOM 242 CB ASP A 451 7.776 -11.198 1.205 1.00 0.00 C ATOM 243 CG ASP A 451 8.433 -12.189 0.224 1.00 0.00 C ATOM 244 OD1 ASP A 451 9.600 -11.963 -0.179 1.00 0.00 O ATOM 245 OD2 ASP A 451 7.804 -13.224 -0.098 1.00 0.00 O ATOM 0 H ASP A 451 6.651 -8.656 2.013 1.00 0.00 H new ATOM 0 HA ASP A 451 9.018 -9.592 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.192 -11.352 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.709 -11.413 1.269 1.00 0.00 H new ATOM 250 N ILE A 452 6.946 -8.013 -0.627 1.00 0.00 N ATOM 251 CA ILE A 452 6.357 -7.388 -1.826 1.00 0.00 C ATOM 252 C ILE A 452 7.393 -6.479 -2.517 1.00 0.00 C ATOM 253 O ILE A 452 8.398 -6.100 -1.915 1.00 0.00 O ATOM 254 CB ILE A 452 5.044 -6.661 -1.439 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.106 -6.533 -2.657 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.312 -5.282 -0.810 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.694 -6.049 -2.314 1.00 0.00 C ATOM 0 H ILE A 452 7.169 -7.332 0.099 1.00 0.00 H new ATOM 0 HA ILE A 452 6.089 -8.147 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 452 4.549 -7.272 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.551 -5.842 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.036 -7.502 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.364 -4.808 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.912 -5.404 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.850 -4.656 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.099 -5.986 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.227 -6.751 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.750 -5.065 -1.849 1.00 0.00 H new ATOM 269 N ASP A 453 7.162 -6.122 -3.780 1.00 0.00 N ATOM 270 CA ASP A 453 8.114 -5.412 -4.643 1.00 0.00 C ATOM 271 C ASP A 453 7.419 -4.450 -5.621 1.00 0.00 C ATOM 272 O ASP A 453 6.197 -4.474 -5.754 1.00 0.00 O ATOM 273 CB ASP A 453 8.981 -6.436 -5.393 1.00 0.00 C ATOM 274 CG ASP A 453 8.182 -7.293 -6.388 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.839 -6.775 -7.477 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.923 -8.480 -6.082 1.00 0.00 O ATOM 0 H ASP A 453 6.279 -6.324 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 453 8.748 -4.792 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.771 -5.910 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.468 -7.090 -4.669 1.00 0.00 H new ATOM 281 N GLU A 454 8.209 -3.617 -6.306 1.00 0.00 N ATOM 282 CA GLU A 454 7.765 -2.582 -7.252 1.00 0.00 C ATOM 283 C GLU A 454 6.638 -3.034 -8.203 1.00 0.00 C ATOM 284 O GLU A 454 5.640 -2.326 -8.357 1.00 0.00 O ATOM 285 CB GLU A 454 8.988 -2.132 -8.074 1.00 0.00 C ATOM 286 CG GLU A 454 8.707 -0.940 -8.998 1.00 0.00 C ATOM 287 CD GLU A 454 9.872 -0.728 -9.974 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.890 -0.119 -9.574 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.777 -1.160 -11.148 1.00 0.00 O ATOM 0 H GLU A 454 9.224 -3.646 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 454 7.343 -1.766 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.796 -1.868 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.339 -2.971 -8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.786 -1.113 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.555 -0.039 -8.403 1.00 0.00 H new ATOM 296 N ASP A 455 6.764 -4.206 -8.833 1.00 0.00 N ATOM 297 CA ASP A 455 5.819 -4.687 -9.849 1.00 0.00 C ATOM 298 C ASP A 455 4.541 -5.275 -9.227 1.00 0.00 C ATOM 299 O ASP A 455 3.462 -5.162 -9.810 1.00 0.00 O ATOM 300 CB ASP A 455 6.525 -5.713 -10.747 1.00 0.00 C ATOM 301 CG ASP A 455 5.663 -6.119 -11.955 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.444 -5.267 -12.849 1.00 0.00 O ATOM 303 OD2 ASP A 455 5.241 -7.298 -12.027 1.00 0.00 O ATOM 0 H ASP A 455 7.531 -4.854 -8.652 1.00 0.00 H new ATOM 0 HA ASP A 455 5.498 -3.836 -10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.468 -5.296 -11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.767 -6.600 -10.161 1.00 0.00 H new ATOM 308 N GLU A 456 4.642 -5.829 -8.016 1.00 0.00 N ATOM 309 CA GLU A 456 3.488 -6.266 -7.224 1.00 0.00 C ATOM 310 C GLU A 456 2.731 -5.072 -6.630 1.00 0.00 C ATOM 311 O GLU A 456 1.502 -5.080 -6.605 1.00 0.00 O ATOM 312 CB GLU A 456 3.932 -7.192 -6.087 1.00 0.00 C ATOM 313 CG GLU A 456 4.453 -8.554 -6.545 1.00 0.00 C ATOM 314 CD GLU A 456 3.341 -9.450 -7.114 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.574 -10.043 -6.318 1.00 0.00 O ATOM 316 OE2 GLU A 456 3.238 -9.590 -8.355 1.00 0.00 O ATOM 0 H GLU A 456 5.536 -5.989 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 456 2.822 -6.806 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.713 -6.693 -5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 456 3.090 -7.347 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 456 5.222 -8.409 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.927 -9.059 -5.704 1.00 0.00 H new ATOM 323 N ILE A 457 3.431 -4.016 -6.201 1.00 0.00 N ATOM 324 CA ILE A 457 2.811 -2.752 -5.763 1.00 0.00 C ATOM 325 C ILE A 457 2.122 -2.078 -6.955 1.00 0.00 C ATOM 326 O ILE A 457 1.000 -1.596 -6.808 1.00 0.00 O ATOM 327 CB ILE A 457 3.851 -1.824 -5.089 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.439 -2.469 -3.813 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.216 -0.468 -4.713 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.764 -1.833 -3.379 1.00 0.00 C ATOM 0 H ILE A 457 4.450 -4.010 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 457 2.053 -2.966 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 457 4.652 -1.666 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.717 -2.381 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.593 -3.534 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.966 0.167 -4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.842 0.020 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.391 -0.632 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.127 -2.328 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.499 -1.944 -4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.609 -0.774 -3.174 1.00 0.00 H new ATOM 342 N THR A 458 2.736 -2.120 -8.145 1.00 0.00 N ATOM 343 CA THR A 458 2.114 -1.642 -9.389 1.00 0.00 C ATOM 344 C THR A 458 0.848 -2.429 -9.680 1.00 0.00 C ATOM 345 O THR A 458 -0.204 -1.818 -9.825 1.00 0.00 O ATOM 346 CB THR A 458 3.091 -1.686 -10.574 1.00 0.00 C ATOM 347 OG1 THR A 458 4.247 -0.940 -10.272 1.00 0.00 O ATOM 348 CG2 THR A 458 2.484 -1.071 -11.837 1.00 0.00 C ATOM 0 H THR A 458 3.679 -2.487 -8.273 1.00 0.00 H new ATOM 0 HA THR A 458 1.844 -0.595 -9.249 1.00 0.00 H new ATOM 0 HB THR A 458 3.323 -2.737 -10.749 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.769 -1.408 -9.587 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.208 -1.122 -12.651 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.586 -1.623 -12.115 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.226 -0.029 -11.646 1.00 0.00 H new ATOM 356 N ALA A 459 0.897 -3.762 -9.699 1.00 0.00 N ATOM 357 CA ALA A 459 -0.286 -4.597 -9.928 1.00 0.00 C ATOM 358 C ALA A 459 -1.370 -4.415 -8.844 1.00 0.00 C ATOM 359 O ALA A 459 -2.563 -4.485 -9.148 1.00 0.00 O ATOM 360 CB ALA A 459 0.168 -6.059 -10.032 1.00 0.00 C ATOM 0 H ALA A 459 1.756 -4.294 -9.556 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.758 -4.284 -10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.699 -6.698 -10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.866 -6.165 -10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.659 -6.354 -9.105 1.00 0.00 H new ATOM 366 N SER A 460 -0.980 -4.115 -7.605 1.00 0.00 N ATOM 367 CA SER A 460 -1.894 -3.836 -6.487 1.00 0.00 C ATOM 368 C SER A 460 -2.664 -2.511 -6.617 1.00 0.00 C ATOM 369 O SER A 460 -3.665 -2.334 -5.919 1.00 0.00 O ATOM 370 CB SER A 460 -1.145 -3.848 -5.145 1.00 0.00 C ATOM 371 OG SER A 460 -0.583 -5.120 -4.864 1.00 0.00 O ATOM 0 H SER A 460 0.003 -4.057 -7.340 1.00 0.00 H new ATOM 0 HA SER A 460 -2.630 -4.639 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.354 -3.098 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.830 -3.569 -4.344 1.00 0.00 H new ATOM 0 HG SER A 460 0.122 -5.317 -5.515 1.00 0.00 H new ATOM 377 N PHE A 461 -2.260 -1.601 -7.517 1.00 0.00 N ATOM 378 CA PHE A 461 -2.960 -0.333 -7.766 1.00 0.00 C ATOM 379 C PHE A 461 -3.278 -0.088 -9.255 1.00 0.00 C ATOM 380 O PHE A 461 -4.016 0.844 -9.577 1.00 0.00 O ATOM 381 CB PHE A 461 -2.168 0.807 -7.110 1.00 0.00 C ATOM 382 CG PHE A 461 -2.232 0.809 -5.589 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.299 0.071 -4.835 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.217 1.562 -4.920 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.349 0.074 -3.431 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.255 1.582 -3.514 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.329 0.832 -2.770 1.00 0.00 C ATOM 0 H PHE A 461 -1.431 -1.727 -8.097 1.00 0.00 H new ATOM 0 HA PHE A 461 -3.946 -0.381 -7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.125 0.736 -7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.547 1.759 -7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.537 -0.503 -5.341 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -3.944 2.125 -5.487 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.636 -0.505 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -3.999 2.176 -3.004 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.371 0.838 -1.691 1.00 0.00 H new ATOM 397 N ARG A 462 -2.834 -0.968 -10.165 1.00 0.00 N ATOM 398 CA ARG A 462 -3.142 -0.921 -11.605 1.00 0.00 C ATOM 399 C ARG A 462 -4.646 -1.030 -11.909 1.00 0.00 C ATOM 400 O ARG A 462 -5.097 -0.524 -12.939 1.00 0.00 O ATOM 401 CB ARG A 462 -2.327 -2.011 -12.336 1.00 0.00 C ATOM 402 CG ARG A 462 -2.480 -2.027 -13.867 1.00 0.00 C ATOM 403 CD ARG A 462 -2.042 -0.701 -14.504 1.00 0.00 C ATOM 404 NE ARG A 462 -2.333 -0.653 -15.946 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.507 -0.383 -16.512 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.608 -0.193 -15.811 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.588 -0.300 -17.822 1.00 0.00 N ATOM 0 H ARG A 462 -2.234 -1.754 -9.914 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.849 0.061 -11.977 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.273 -1.878 -12.094 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.623 -2.985 -11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.886 -2.842 -14.282 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.520 -2.227 -14.125 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.550 0.125 -14.005 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -0.973 -0.560 -14.346 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.555 -0.847 -16.576 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.581 -0.251 -14.793 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.487 0.012 -16.287 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.756 -0.442 -18.394 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.483 -0.094 -18.266 1.00 0.00 H new ATOM 421 N ARG A 463 -5.427 -1.597 -10.979 1.00 0.00 N ATOM 422 CA ARG A 463 -6.902 -1.629 -10.966 1.00 0.00 C ATOM 423 C ARG A 463 -7.587 -0.245 -11.028 1.00 0.00 C ATOM 424 O ARG A 463 -8.782 -0.177 -11.321 1.00 0.00 O ATOM 425 CB ARG A 463 -7.395 -2.448 -9.749 1.00 0.00 C ATOM 426 CG ARG A 463 -6.776 -2.026 -8.402 1.00 0.00 C ATOM 427 CD ARG A 463 -7.374 -2.796 -7.212 1.00 0.00 C ATOM 428 NE ARG A 463 -6.462 -2.757 -6.055 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.634 -3.294 -4.854 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.765 -3.845 -4.467 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.620 -3.282 -4.022 1.00 0.00 N ATOM 0 H ARG A 463 -5.028 -2.073 -10.170 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.201 -2.117 -11.894 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.479 -2.357 -9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.174 -3.501 -9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.699 -2.191 -8.433 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -6.931 -0.957 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.336 -2.362 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.561 -3.831 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.587 -2.253 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.562 -3.873 -5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.844 -4.244 -3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.732 -2.868 -4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.719 -3.687 -3.091 1.00 0.00 H new ATOM 445 N PHE A 464 -6.845 0.850 -10.808 1.00 0.00 N ATOM 446 CA PHE A 464 -7.332 2.236 -10.890 1.00 0.00 C ATOM 447 C PHE A 464 -6.877 2.986 -12.157 1.00 0.00 C ATOM 448 O PHE A 464 -7.297 4.123 -12.376 1.00 0.00 O ATOM 449 CB PHE A 464 -6.882 2.968 -9.616 1.00 0.00 C ATOM 450 CG PHE A 464 -7.329 2.283 -8.339 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.700 2.076 -8.107 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.384 1.781 -7.425 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.125 1.357 -6.980 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.809 1.052 -6.302 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.180 0.841 -6.075 1.00 0.00 C ATOM 0 H PHE A 464 -5.857 0.794 -10.560 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.419 2.211 -10.964 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.795 3.047 -9.616 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.276 3.984 -9.631 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.429 2.472 -8.799 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.331 1.956 -7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.179 1.199 -6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.081 0.653 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.507 0.285 -5.209 1.00 0.00 H new ATOM 465 N GLY A 465 -6.036 2.363 -12.991 1.00 0.00 N ATOM 466 CA GLY A 465 -5.356 2.974 -14.142 1.00 0.00 C ATOM 467 C GLY A 465 -3.825 2.866 -14.038 1.00 0.00 C ATOM 468 O GLY A 465 -3.320 2.404 -13.013 1.00 0.00 O ATOM 0 H GLY A 465 -5.800 1.377 -12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.691 2.489 -15.059 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.640 4.024 -14.214 1.00 0.00 H new ATOM 472 N PRO A 466 -3.082 3.251 -15.093 1.00 0.00 N ATOM 473 CA PRO A 466 -1.625 3.141 -15.143 1.00 0.00 C ATOM 474 C PRO A 466 -0.936 4.125 -14.185 1.00 0.00 C ATOM 475 O PRO A 466 -1.459 5.200 -13.876 1.00 0.00 O ATOM 476 CB PRO A 466 -1.244 3.377 -16.608 1.00 0.00 C ATOM 477 CG PRO A 466 -2.383 4.246 -17.137 1.00 0.00 C ATOM 478 CD PRO A 466 -3.598 3.750 -16.360 1.00 0.00 C ATOM 0 HA PRO A 466 -1.287 2.161 -14.806 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.281 3.880 -16.696 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.165 2.439 -17.158 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.197 5.305 -16.958 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.516 4.123 -18.212 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.315 4.555 -16.200 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.118 2.964 -16.907 1.00 0.00 H new ATOM 486 N LEU A 467 0.256 3.735 -13.718 1.00 0.00 N ATOM 487 CA LEU A 467 1.006 4.391 -12.643 1.00 0.00 C ATOM 488 C LEU A 467 2.500 4.012 -12.648 1.00 0.00 C ATOM 489 O LEU A 467 2.918 3.098 -13.359 1.00 0.00 O ATOM 490 CB LEU A 467 0.353 4.069 -11.271 1.00 0.00 C ATOM 491 CG LEU A 467 0.561 2.637 -10.718 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.322 2.633 -9.203 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.373 1.599 -11.356 1.00 0.00 C ATOM 0 H LEU A 467 0.743 2.921 -14.094 1.00 0.00 H new ATOM 0 HA LEU A 467 0.962 5.466 -12.818 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.739 4.776 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.719 4.249 -11.354 1.00 0.00 H new ATOM 0 HG LEU A 467 1.585 2.357 -10.963 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.468 1.625 -8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 467 1.025 3.313 -8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.697 2.958 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.175 0.618 -10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.410 1.877 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.198 1.564 -12.431 1.00 0.00 H new ATOM 505 N VAL A 468 3.280 4.683 -11.797 1.00 0.00 N ATOM 506 CA VAL A 468 4.669 4.337 -11.441 1.00 0.00 C ATOM 507 C VAL A 468 4.818 4.333 -9.909 1.00 0.00 C ATOM 508 O VAL A 468 4.086 5.041 -9.217 1.00 0.00 O ATOM 509 CB VAL A 468 5.702 5.260 -12.143 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.712 6.691 -11.621 1.00 0.00 C ATOM 511 CG2 VAL A 468 7.121 4.674 -12.086 1.00 0.00 C ATOM 0 H VAL A 468 2.952 5.519 -11.313 1.00 0.00 H new ATOM 0 HA VAL A 468 4.887 3.334 -11.808 1.00 0.00 H new ATOM 0 HB VAL A 468 5.371 5.305 -13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.460 7.271 -12.162 1.00 0.00 H new ATOM 0 HG12 VAL A 468 4.729 7.139 -11.768 1.00 0.00 H new ATOM 0 HG13 VAL A 468 5.954 6.689 -10.558 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.814 5.349 -12.588 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.423 4.552 -11.046 1.00 0.00 H new ATOM 0 HG23 VAL A 468 7.135 3.704 -12.584 1.00 0.00 H new ATOM 521 N VAL A 469 5.744 3.522 -9.388 1.00 0.00 N ATOM 522 CA VAL A 469 5.987 3.319 -7.948 1.00 0.00 C ATOM 523 C VAL A 469 7.404 3.791 -7.590 1.00 0.00 C ATOM 524 O VAL A 469 8.365 3.493 -8.302 1.00 0.00 O ATOM 525 CB VAL A 469 5.782 1.836 -7.557 1.00 0.00 C ATOM 526 CG1 VAL A 469 6.025 1.593 -6.059 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.355 1.369 -7.894 1.00 0.00 C ATOM 0 H VAL A 469 6.369 2.968 -9.974 1.00 0.00 H new ATOM 0 HA VAL A 469 5.267 3.910 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 469 6.511 1.267 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.869 0.538 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 469 7.048 1.872 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.330 2.196 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 469 4.238 0.323 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.634 1.977 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.181 1.475 -8.965 1.00 0.00 H new ATOM 537 N ASP A 470 7.522 4.535 -6.489 1.00 0.00 N ATOM 538 CA ASP A 470 8.723 5.267 -6.068 1.00 0.00 C ATOM 539 C ASP A 470 8.847 5.342 -4.531 1.00 0.00 C ATOM 540 O ASP A 470 7.870 5.147 -3.806 1.00 0.00 O ATOM 541 CB ASP A 470 8.666 6.670 -6.702 1.00 0.00 C ATOM 542 CG ASP A 470 9.934 7.500 -6.445 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.032 7.046 -6.845 1.00 0.00 O ATOM 544 OD2 ASP A 470 9.824 8.598 -5.853 1.00 0.00 O ATOM 0 H ASP A 470 6.748 4.651 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 470 9.613 4.738 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 470 8.516 6.571 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 470 7.802 7.206 -6.308 1.00 0.00 H new ATOM 786 N GLY A 485 8.445 -0.762 4.744 1.00 0.00 N ATOM 787 CA GLY A 485 7.032 -1.067 4.483 1.00 0.00 C ATOM 788 C GLY A 485 6.211 0.126 3.984 1.00 0.00 C ATOM 789 O GLY A 485 5.001 0.147 4.205 1.00 0.00 O ATOM 0 HA2 GLY A 485 6.976 -1.866 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 485 6.579 -1.447 5.399 1.00 0.00 H new ATOM 793 N TYR A 486 6.818 1.105 3.305 1.00 0.00 N ATOM 794 CA TYR A 486 6.095 2.234 2.694 1.00 0.00 C ATOM 795 C TYR A 486 6.587 2.593 1.279 1.00 0.00 C ATOM 796 O TYR A 486 7.717 2.284 0.897 1.00 0.00 O ATOM 797 CB TYR A 486 6.106 3.456 3.632 1.00 0.00 C ATOM 798 CG TYR A 486 7.414 4.227 3.699 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.707 5.211 2.733 1.00 0.00 C ATOM 800 CD2 TYR A 486 8.328 3.982 4.742 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.920 5.924 2.787 1.00 0.00 C ATOM 802 CE2 TYR A 486 9.542 4.694 4.805 1.00 0.00 C ATOM 803 CZ TYR A 486 9.847 5.660 3.820 1.00 0.00 C ATOM 804 OH TYR A 486 11.025 6.342 3.866 1.00 0.00 O ATOM 0 H TYR A 486 7.827 1.140 3.161 1.00 0.00 H new ATOM 0 HA TYR A 486 5.064 1.906 2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.319 4.140 3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.852 3.121 4.638 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.997 5.419 1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 486 8.097 3.245 5.497 1.00 0.00 H new ATOM 0 HE1 TYR A 486 9.141 6.672 2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 486 10.240 4.501 5.606 1.00 0.00 H new ATOM 0 HH TYR A 486 11.547 6.041 4.639 1.00 0.00 H new ATOM 814 N ALA A 487 5.725 3.262 0.507 1.00 0.00 N ATOM 815 CA ALA A 487 5.972 3.688 -0.871 1.00 0.00 C ATOM 816 C ALA A 487 5.087 4.883 -1.266 1.00 0.00 C ATOM 817 O ALA A 487 4.106 5.211 -0.589 1.00 0.00 O ATOM 818 CB ALA A 487 5.739 2.488 -1.805 1.00 0.00 C ATOM 0 H ALA A 487 4.799 3.532 0.840 1.00 0.00 H new ATOM 0 HA ALA A 487 7.004 4.027 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 487 5.919 2.790 -2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.422 1.681 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.711 2.142 -1.703 1.00 0.00 H new ATOM 824 N PHE A 488 5.420 5.492 -2.402 1.00 0.00 N ATOM 825 CA PHE A 488 4.634 6.508 -3.093 1.00 0.00 C ATOM 826 C PHE A 488 4.248 6.009 -4.489 1.00 0.00 C ATOM 827 O PHE A 488 5.071 5.476 -5.234 1.00 0.00 O ATOM 828 CB PHE A 488 5.434 7.815 -3.191 1.00 0.00 C ATOM 829 CG PHE A 488 5.636 8.525 -1.867 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.627 9.369 -1.364 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.833 8.356 -1.146 1.00 0.00 C ATOM 832 CE1 PHE A 488 4.823 10.056 -0.153 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.025 9.039 0.069 1.00 0.00 C ATOM 834 CZ PHE A 488 6.022 9.893 0.563 1.00 0.00 C ATOM 0 H PHE A 488 6.290 5.278 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 488 3.722 6.701 -2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.410 7.598 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.922 8.490 -3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.702 9.489 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.604 7.702 -1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.052 10.709 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 488 7.943 8.908 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.173 10.423 1.492 1.00 0.00 H new ATOM 844 N LEU A 489 2.984 6.216 -4.844 1.00 0.00 N ATOM 845 CA LEU A 489 2.410 5.963 -6.159 1.00 0.00 C ATOM 846 C LEU A 489 2.244 7.297 -6.886 1.00 0.00 C ATOM 847 O LEU A 489 1.799 8.275 -6.275 1.00 0.00 O ATOM 848 CB LEU A 489 1.023 5.307 -6.005 1.00 0.00 C ATOM 849 CG LEU A 489 0.921 4.121 -5.027 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.541 3.673 -4.965 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.815 2.941 -5.422 1.00 0.00 C ATOM 0 H LEU A 489 2.297 6.584 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 489 3.066 5.299 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.318 6.074 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.697 4.966 -6.988 1.00 0.00 H new ATOM 0 HG LEU A 489 1.271 4.457 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.635 2.833 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.160 4.499 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -0.870 3.367 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.699 2.137 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.527 2.581 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.856 3.264 -5.443 1.00 0.00 H new ATOM 863 N LEU A 490 2.549 7.321 -8.182 1.00 0.00 N ATOM 864 CA LEU A 490 2.238 8.425 -9.092 1.00 0.00 C ATOM 865 C LEU A 490 1.366 7.850 -10.212 1.00 0.00 C ATOM 866 O LEU A 490 1.840 7.016 -10.991 1.00 0.00 O ATOM 867 CB LEU A 490 3.514 9.061 -9.681 1.00 0.00 C ATOM 868 CG LEU A 490 4.708 9.328 -8.746 1.00 0.00 C ATOM 869 CD1 LEU A 490 5.916 9.720 -9.612 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.392 10.426 -7.722 1.00 0.00 C ATOM 0 H LEU A 490 3.034 6.551 -8.643 1.00 0.00 H new ATOM 0 HA LEU A 490 1.720 9.216 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 490 3.863 8.415 -10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.231 10.011 -10.134 1.00 0.00 H new ATOM 0 HG LEU A 490 4.929 8.425 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.776 9.914 -8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.152 8.906 -10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.679 10.618 -10.183 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.259 10.586 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.152 11.352 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.541 10.121 -7.113 1.00 0.00 H new ATOM 882 N PHE A 491 0.099 8.260 -10.283 1.00 0.00 N ATOM 883 CA PHE A 491 -0.848 7.807 -11.307 1.00 0.00 C ATOM 884 C PHE A 491 -0.791 8.700 -12.555 1.00 0.00 C ATOM 885 O PHE A 491 -0.408 9.868 -12.479 1.00 0.00 O ATOM 886 CB PHE A 491 -2.262 7.760 -10.715 1.00 0.00 C ATOM 887 CG PHE A 491 -2.464 6.692 -9.654 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.148 6.961 -8.307 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.975 5.427 -10.007 1.00 0.00 C ATOM 890 CE1 PHE A 491 -2.365 5.984 -7.320 1.00 0.00 C ATOM 891 CE2 PHE A 491 -3.175 4.446 -9.021 1.00 0.00 C ATOM 892 CZ PHE A 491 -2.882 4.728 -7.676 1.00 0.00 C ATOM 0 H PHE A 491 -0.305 8.925 -9.623 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.569 6.802 -11.624 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.494 8.733 -10.282 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.975 7.592 -11.522 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -1.738 7.921 -8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -3.214 5.211 -11.038 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -2.134 6.200 -6.287 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -3.555 3.473 -9.297 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.054 3.979 -6.917 1.00 0.00 H new ATOM 902 N GLN A 492 -1.199 8.167 -13.712 1.00 0.00 N ATOM 903 CA GLN A 492 -1.226 8.917 -14.976 1.00 0.00 C ATOM 904 C GLN A 492 -2.226 10.089 -14.941 1.00 0.00 C ATOM 905 O GLN A 492 -1.946 11.146 -15.505 1.00 0.00 O ATOM 906 CB GLN A 492 -1.553 7.935 -16.116 1.00 0.00 C ATOM 907 CG GLN A 492 -1.487 8.568 -17.517 1.00 0.00 C ATOM 908 CD GLN A 492 -1.782 7.550 -18.620 1.00 0.00 C ATOM 909 OE1 GLN A 492 -0.895 6.883 -19.139 1.00 0.00 O ATOM 910 NE2 GLN A 492 -3.025 7.374 -19.026 1.00 0.00 N ATOM 0 H GLN A 492 -1.520 7.203 -13.800 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.247 9.367 -15.141 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.857 7.097 -16.073 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.552 7.528 -15.958 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -2.203 9.387 -17.579 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -0.497 8.997 -17.675 1.00 0.00 H new ATOM 0 HE21 GLN A 492 -3.780 7.918 -18.608 1.00 0.00 H new ATOM 0 HE22 GLN A 492 -3.231 6.694 -19.758 1.00 0.00 H new ATOM 919 N GLU A 493 -3.365 9.920 -14.261 1.00 0.00 N ATOM 920 CA GLU A 493 -4.502 10.847 -14.254 1.00 0.00 C ATOM 921 C GLU A 493 -5.110 10.941 -12.849 1.00 0.00 C ATOM 922 O GLU A 493 -5.162 9.960 -12.105 1.00 0.00 O ATOM 923 CB GLU A 493 -5.566 10.364 -15.259 1.00 0.00 C ATOM 924 CG GLU A 493 -5.148 10.610 -16.715 1.00 0.00 C ATOM 925 CD GLU A 493 -5.941 9.741 -17.698 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.091 10.096 -18.045 1.00 0.00 O ATOM 927 OE2 GLU A 493 -5.389 8.709 -18.153 1.00 0.00 O ATOM 0 H GLU A 493 -3.527 9.100 -13.676 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.153 11.838 -14.544 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.746 9.299 -15.110 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.507 10.877 -15.062 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -5.295 11.662 -16.961 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.084 10.403 -16.826 1.00 0.00 H new ATOM 934 N GLU A 494 -5.587 12.132 -12.485 1.00 0.00 N ATOM 935 CA GLU A 494 -6.161 12.431 -11.166 1.00 0.00 C ATOM 936 C GLU A 494 -7.403 11.573 -10.864 1.00 0.00 C ATOM 937 O GLU A 494 -7.645 11.180 -9.719 1.00 0.00 O ATOM 938 CB GLU A 494 -6.529 13.925 -11.069 1.00 0.00 C ATOM 939 CG GLU A 494 -5.438 14.914 -11.505 1.00 0.00 C ATOM 940 CD GLU A 494 -5.587 15.337 -12.976 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.241 14.530 -13.870 1.00 0.00 O ATOM 942 OE2 GLU A 494 -6.048 16.472 -13.241 1.00 0.00 O ATOM 0 H GLU A 494 -5.586 12.937 -13.112 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.400 12.189 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.416 14.101 -11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.801 14.146 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -5.478 15.799 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.459 14.459 -11.358 1.00 0.00 H new ATOM 949 N SER A 495 -8.154 11.205 -11.902 1.00 0.00 N ATOM 950 CA SER A 495 -9.303 10.298 -11.831 1.00 0.00 C ATOM 951 C SER A 495 -8.933 8.892 -11.332 1.00 0.00 C ATOM 952 O SER A 495 -9.757 8.237 -10.695 1.00 0.00 O ATOM 953 CB SER A 495 -9.975 10.219 -13.211 1.00 0.00 C ATOM 954 OG SER A 495 -9.030 9.931 -14.238 1.00 0.00 O ATOM 0 H SER A 495 -7.974 11.541 -12.848 1.00 0.00 H new ATOM 0 HA SER A 495 -9.997 10.708 -11.097 1.00 0.00 H new ATOM 0 HB2 SER A 495 -10.745 9.448 -13.198 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.473 11.164 -13.429 1.00 0.00 H new ATOM 0 HG SER A 495 -9.490 9.886 -15.102 1.00 0.00 H new ATOM 960 N SER A 496 -7.686 8.443 -11.508 1.00 0.00 N ATOM 961 CA SER A 496 -7.202 7.188 -10.919 1.00 0.00 C ATOM 962 C SER A 496 -7.050 7.298 -9.395 1.00 0.00 C ATOM 963 O SER A 496 -7.279 6.323 -8.681 1.00 0.00 O ATOM 964 CB SER A 496 -5.850 6.792 -11.528 1.00 0.00 C ATOM 965 OG SER A 496 -5.894 6.697 -12.946 1.00 0.00 O ATOM 0 H SER A 496 -6.985 8.937 -12.061 1.00 0.00 H new ATOM 0 HA SER A 496 -7.946 6.423 -11.142 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.097 7.526 -11.240 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.536 5.834 -11.113 1.00 0.00 H new ATOM 0 HG SER A 496 -6.343 5.865 -13.204 1.00 0.00 H new ATOM 971 N VAL A 497 -6.738 8.490 -8.873 1.00 0.00 N ATOM 972 CA VAL A 497 -6.661 8.726 -7.423 1.00 0.00 C ATOM 973 C VAL A 497 -8.067 8.869 -6.834 1.00 0.00 C ATOM 974 O VAL A 497 -8.319 8.373 -5.742 1.00 0.00 O ATOM 975 CB VAL A 497 -5.767 9.932 -7.060 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.641 10.086 -5.534 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.370 9.750 -7.675 1.00 0.00 C ATOM 0 H VAL A 497 -6.533 9.314 -9.438 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.183 7.854 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.231 10.833 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.006 10.942 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.629 10.241 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.198 9.184 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.744 10.604 -7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.918 8.837 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.456 9.680 -8.759 1.00 0.00 H new ATOM 987 N GLN A 498 -9.019 9.453 -7.572 1.00 0.00 N ATOM 988 CA GLN A 498 -10.427 9.456 -7.166 1.00 0.00 C ATOM 989 C GLN A 498 -11.030 8.043 -7.182 1.00 0.00 C ATOM 990 O GLN A 498 -11.795 7.707 -6.280 1.00 0.00 O ATOM 991 CB GLN A 498 -11.207 10.400 -8.096 1.00 0.00 C ATOM 992 CG GLN A 498 -12.703 10.548 -7.759 1.00 0.00 C ATOM 993 CD GLN A 498 -12.968 11.046 -6.337 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.031 12.239 -6.066 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.127 10.159 -5.376 1.00 0.00 N ATOM 0 H GLN A 498 -8.838 9.930 -8.455 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.497 9.811 -6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.742 11.385 -8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.114 10.038 -9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.159 11.240 -8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.194 9.584 -7.894 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.077 9.163 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.300 10.469 -4.420 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.662 7.200 -8.152 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.053 5.786 -8.183 1.00 0.00 C ATOM 1006 C ALA A 499 -10.475 4.992 -7.000 1.00 0.00 C ATOM 1007 O ALA A 499 -11.173 4.151 -6.430 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.619 5.163 -9.514 1.00 0.00 C ATOM 0 H ALA A 499 -10.081 7.480 -8.942 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.138 5.738 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.910 4.113 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.101 5.690 -10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.537 5.242 -9.617 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.233 5.289 -6.593 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.638 4.747 -5.371 1.00 0.00 C ATOM 1016 C LEU A 500 -9.419 5.208 -4.133 1.00 0.00 C ATOM 1017 O LEU A 500 -9.815 4.375 -3.322 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.141 5.118 -5.331 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.408 4.800 -4.009 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.532 3.333 -3.593 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.920 5.136 -4.171 1.00 0.00 C ATOM 0 H LEU A 500 -8.613 5.915 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.703 3.659 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.634 4.594 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.044 6.185 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.876 5.403 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -5.996 3.174 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.584 3.081 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.105 2.697 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.394 4.915 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.498 4.538 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.810 6.194 -4.407 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.710 6.507 -4.009 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.521 7.079 -2.913 1.00 0.00 C ATOM 1035 C ILE A 501 -11.901 6.401 -2.826 1.00 0.00 C ATOM 1036 O ILE A 501 -12.350 6.060 -1.733 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.634 8.617 -3.077 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.268 9.305 -2.852 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.672 9.208 -2.100 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.172 10.731 -3.408 1.00 0.00 C ATOM 0 H ILE A 501 -9.386 7.208 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 501 -10.018 6.882 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.962 8.806 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -9.061 9.332 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.489 8.697 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.729 10.288 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.649 8.765 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.373 8.989 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.180 11.135 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.343 10.714 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.924 11.359 -2.931 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.551 6.152 -3.965 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.861 5.492 -4.051 1.00 0.00 C ATOM 1054 C ASP A 502 -13.826 3.993 -3.672 1.00 0.00 C ATOM 1055 O ASP A 502 -14.858 3.429 -3.303 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.422 5.702 -5.467 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.866 5.196 -5.617 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.781 5.803 -5.010 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.089 4.218 -6.371 1.00 0.00 O ATOM 0 H ASP A 502 -12.174 6.409 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.518 5.951 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.386 6.763 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.785 5.186 -6.185 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.646 3.359 -3.706 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.423 1.977 -3.274 1.00 0.00 C ATOM 1066 C ALA A 503 -11.891 1.867 -1.830 1.00 0.00 C ATOM 1067 O ALA A 503 -11.917 0.776 -1.251 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.459 1.320 -4.267 1.00 0.00 C ATOM 0 H ALA A 503 -11.796 3.809 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.382 1.460 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.276 0.288 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.898 1.336 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.517 1.868 -4.276 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.422 2.969 -1.239 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.825 2.982 0.094 1.00 0.00 C ATOM 1076 C CYS A 504 -11.851 2.870 1.236 1.00 0.00 C ATOM 1077 O CYS A 504 -12.966 3.400 1.174 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.000 4.266 0.277 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.387 4.131 -0.541 1.00 0.00 S ATOM 0 H CYS A 504 -11.448 3.888 -1.681 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.192 2.097 0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.548 5.115 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.857 4.461 1.340 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.545 4.212 -1.829 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.415 2.209 2.307 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.037 2.212 3.632 1.00 0.00 C ATOM 1087 C LEU A 505 -11.506 3.440 4.396 1.00 0.00 C ATOM 1088 O LEU A 505 -10.687 4.197 3.869 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.692 0.894 4.361 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.182 -0.385 3.654 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.662 -1.618 4.407 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.713 -0.446 3.552 1.00 0.00 C ATOM 0 H LEU A 505 -10.577 1.628 2.274 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.123 2.275 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.610 0.834 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.122 0.926 5.362 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.790 -0.370 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.008 -2.523 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.572 -1.605 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.036 -1.603 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.008 -1.366 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.145 -0.428 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.074 0.412 2.985 1.00 0.00 H new ATOM 1104 N GLU A 506 -11.928 3.633 5.643 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.531 4.790 6.455 1.00 0.00 C ATOM 1106 C GLU A 506 -11.430 4.434 7.947 1.00 0.00 C ATOM 1107 O GLU A 506 -12.284 3.723 8.485 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.508 5.956 6.211 1.00 0.00 C ATOM 1109 CG GLU A 506 -11.988 7.295 6.748 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.034 8.403 6.557 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -13.056 9.048 5.481 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.844 8.638 7.484 1.00 0.00 O ATOM 0 H GLU A 506 -12.558 2.991 6.125 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.533 5.103 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.696 6.048 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.463 5.727 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -11.744 7.198 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.067 7.566 6.232 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.361 6.989 5.018 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.896 5.985 4.094 1.00 0.00 C ATOM 1177 C LEU A 511 -7.101 4.675 4.168 1.00 0.00 C ATOM 1178 O LEU A 511 -5.945 4.661 4.588 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.946 6.568 2.668 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.898 7.766 2.475 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.839 8.219 1.008 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.352 7.444 2.856 1.00 0.00 C ATOM 0 HA LEU A 511 -8.915 5.734 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.940 6.876 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.242 5.776 1.980 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.565 8.560 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.509 9.066 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.820 8.515 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.146 7.397 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -10.973 8.326 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.718 6.627 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.397 7.151 3.905 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.723 3.569 3.758 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.150 2.216 3.811 1.00 0.00 C ATOM 1196 C TYR A 512 -7.594 1.335 2.627 1.00 0.00 C ATOM 1197 O TYR A 512 -8.705 1.487 2.120 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.508 1.547 5.152 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.641 1.960 6.331 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -6.954 3.101 7.098 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.519 1.179 6.670 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.139 3.474 8.186 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.718 1.526 7.772 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.028 2.675 8.535 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.255 3.011 9.606 1.00 0.00 O ATOM 0 H TYR A 512 -8.666 3.586 3.368 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.068 2.318 3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.547 1.775 5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.438 0.466 5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -7.823 3.693 6.851 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.273 0.309 6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -6.363 4.367 8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.867 0.916 8.035 1.00 0.00 H new ATOM 0 HH TYR A 512 -3.534 2.356 9.707 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.750 0.387 2.203 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.000 -0.516 1.070 1.00 0.00 C ATOM 1217 C LEU A 513 -6.418 -1.913 1.342 1.00 0.00 C ATOM 1218 O LEU A 513 -5.443 -2.040 2.083 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.363 0.096 -0.197 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.003 -0.402 -1.508 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.300 0.372 -1.782 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.053 -0.217 -2.690 1.00 0.00 C ATOM 0 H LEU A 513 -5.848 0.221 2.650 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.075 -0.630 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.449 1.182 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.299 -0.139 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.218 -1.464 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.747 0.015 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -8.998 0.216 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.077 1.435 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.531 -0.577 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -5.811 0.840 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.138 -0.782 -2.513 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.983 -2.958 0.736 1.00 0.00 N ATOM 1235 CA CYS A 514 -6.505 -4.340 0.839 1.00 0.00 C ATOM 1236 C CYS A 514 -5.393 -4.668 -0.186 1.00 0.00 C ATOM 1237 O CYS A 514 -5.528 -4.356 -1.373 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.723 -5.278 0.722 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.671 -4.962 -0.803 1.00 0.00 S ATOM 0 H CYS A 514 -7.808 -2.865 0.144 1.00 0.00 H new ATOM 0 HA CYS A 514 -6.028 -4.487 1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.387 -6.315 0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -8.371 -5.143 1.588 1.00 0.00 H new ATOM 0 HG CYS A 514 -9.684 -5.775 -0.860 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.320 -5.329 0.263 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.218 -5.885 -0.565 1.00 0.00 C ATOM 1247 C VAL A 515 -2.679 -7.191 0.051 1.00 0.00 C ATOM 1248 O VAL A 515 -2.984 -7.498 1.200 1.00 0.00 O ATOM 1249 CB VAL A 515 -2.052 -4.883 -0.785 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.492 -3.589 -1.490 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.323 -4.533 0.523 1.00 0.00 C ATOM 0 H VAL A 515 -4.180 -5.505 1.258 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.649 -6.092 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.358 -5.406 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.632 -2.931 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.908 -3.831 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.249 -3.086 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.517 -3.830 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -2.027 -4.081 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.908 -5.440 0.962 1.00 0.00 H new ATOM 1261 N SER A 516 -1.868 -7.956 -0.686 1.00 0.00 N ATOM 1262 CA SER A 516 -1.300 -9.247 -0.240 1.00 0.00 C ATOM 1263 C SER A 516 0.080 -9.542 -0.866 1.00 0.00 C ATOM 1264 O SER A 516 0.492 -8.915 -1.844 1.00 0.00 O ATOM 1265 CB SER A 516 -2.256 -10.409 -0.576 1.00 0.00 C ATOM 1266 OG SER A 516 -3.518 -10.298 0.072 1.00 0.00 O ATOM 0 H SER A 516 -1.578 -7.697 -1.629 1.00 0.00 H new ATOM 0 HA SER A 516 -1.172 -9.163 0.839 1.00 0.00 H new ATOM 0 HB2 SER A 516 -2.410 -10.445 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.788 -11.351 -0.289 1.00 0.00 H new ATOM 0 HG SER A 516 -4.082 -11.059 -0.178 1.00 0.00 H new ATOM 1272 N SER A 517 0.787 -10.533 -0.324 1.00 0.00 N ATOM 1273 CA SER A 517 2.093 -11.041 -0.770 1.00 0.00 C ATOM 1274 C SER A 517 2.124 -12.590 -0.705 1.00 0.00 C ATOM 1275 O SER A 517 1.103 -13.206 -0.360 1.00 0.00 O ATOM 1276 CB SER A 517 3.185 -10.417 0.119 1.00 0.00 C ATOM 1277 OG SER A 517 3.252 -11.070 1.381 1.00 0.00 O ATOM 0 H SER A 517 0.444 -11.039 0.493 1.00 0.00 H new ATOM 0 HA SER A 517 2.272 -10.761 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.150 -10.487 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 517 2.978 -9.357 0.265 1.00 0.00 H new ATOM 0 HG SER A 517 3.954 -10.657 1.926 1.00 0.00 H new ATOM 1283 N PRO A 518 3.260 -13.264 -0.989 1.00 0.00 N ATOM 1284 CA PRO A 518 3.408 -14.705 -0.777 1.00 0.00 C ATOM 1285 C PRO A 518 3.329 -15.138 0.698 1.00 0.00 C ATOM 1286 O PRO A 518 3.147 -16.330 0.957 1.00 0.00 O ATOM 1287 CB PRO A 518 4.767 -15.083 -1.382 1.00 0.00 C ATOM 1288 CG PRO A 518 5.048 -13.957 -2.375 1.00 0.00 C ATOM 1289 CD PRO A 518 4.441 -12.752 -1.664 1.00 0.00 C ATOM 0 HA PRO A 518 2.576 -15.224 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 518 5.542 -15.145 -0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 518 4.729 -16.053 -1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.115 -13.829 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 518 4.580 -14.139 -3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.144 -12.319 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.180 -11.966 -2.373 1.00 0.00 H new ATOM 1297 N THR A 519 3.453 -14.202 1.656 1.00 0.00 N ATOM 1298 CA THR A 519 3.550 -14.481 3.100 1.00 0.00 C ATOM 1299 C THR A 519 2.479 -13.791 3.944 1.00 0.00 C ATOM 1300 O THR A 519 2.154 -14.296 5.018 1.00 0.00 O ATOM 1301 CB THR A 519 4.938 -14.091 3.629 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.197 -12.737 3.317 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.048 -14.949 3.020 1.00 0.00 C ATOM 0 H THR A 519 3.489 -13.205 1.442 1.00 0.00 H new ATOM 0 HA THR A 519 3.386 -15.554 3.200 1.00 0.00 H new ATOM 0 HB THR A 519 4.932 -14.251 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.082 -12.487 3.656 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.011 -14.637 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 519 5.874 -15.997 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.051 -14.825 1.937 1.00 0.00 H new ATOM 1311 N ILE A 520 1.895 -12.688 3.468 1.00 0.00 N ATOM 1312 CA ILE A 520 0.902 -11.866 4.183 1.00 0.00 C ATOM 1313 C ILE A 520 -0.348 -11.702 3.314 1.00 0.00 C ATOM 1314 O ILE A 520 -0.255 -11.371 2.133 1.00 0.00 O ATOM 1315 CB ILE A 520 1.511 -10.487 4.538 1.00 0.00 C ATOM 1316 CG1 ILE A 520 2.840 -10.542 5.329 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.503 -9.609 5.297 1.00 0.00 C ATOM 1318 CD1 ILE A 520 2.774 -11.191 6.718 1.00 0.00 C ATOM 0 H ILE A 520 2.106 -12.325 2.538 1.00 0.00 H new ATOM 0 HA ILE A 520 0.619 -12.362 5.112 1.00 0.00 H new ATOM 0 HB ILE A 520 1.748 -10.044 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.572 -11.085 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.213 -9.524 5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 520 0.961 -8.648 5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.379 -9.449 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.211 -10.107 6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 520 3.763 -11.172 7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.074 -10.639 7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.438 -12.224 6.622 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.526 -11.920 3.898 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.803 -12.015 3.180 1.00 0.00 C ATOM 1332 C LYS A 521 -3.844 -11.023 3.732 1.00 0.00 C ATOM 1333 O LYS A 521 -3.999 -10.896 4.949 1.00 0.00 O ATOM 1334 CB LYS A 521 -3.314 -13.465 3.296 1.00 0.00 C ATOM 1335 CG LYS A 521 -2.367 -14.561 2.771 1.00 0.00 C ATOM 1336 CD LYS A 521 -2.000 -14.416 1.288 1.00 0.00 C ATOM 1337 CE LYS A 521 -1.120 -15.599 0.864 1.00 0.00 C ATOM 1338 NZ LYS A 521 -0.640 -15.447 -0.532 1.00 0.00 N ATOM 0 H LYS A 521 -1.624 -12.039 4.906 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.647 -11.752 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.529 -13.670 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -4.258 -13.540 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.452 -14.549 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.834 -15.534 2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.904 -14.384 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -1.471 -13.477 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -0.266 -15.678 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -1.686 -16.526 0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -0.149 -16.315 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -1.450 -15.277 -1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 0.016 -14.642 -0.588 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.547 -10.324 2.833 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.664 -9.390 3.143 1.00 0.00 C ATOM 1354 C ASP A 522 -5.221 -8.187 4.010 1.00 0.00 C ATOM 1355 O ASP A 522 -6.009 -7.616 4.767 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.857 -10.156 3.758 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.381 -11.269 2.836 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.040 -10.944 1.821 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -7.152 -12.464 3.141 1.00 0.00 O ATOM 0 H ASP A 522 -4.357 -10.387 1.833 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.997 -8.955 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.553 -10.591 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -7.664 -9.455 3.971 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.945 -7.790 3.912 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.359 -6.676 4.665 1.00 0.00 C ATOM 1366 C LYS A 523 -4.076 -5.341 4.353 1.00 0.00 C ATOM 1367 O LYS A 523 -4.150 -4.976 3.170 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.864 -6.572 4.312 1.00 0.00 C ATOM 1369 CG LYS A 523 -1.083 -5.579 5.190 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.800 -6.109 6.603 1.00 0.00 C ATOM 1371 CE LYS A 523 0.104 -5.122 7.351 1.00 0.00 C ATOM 1372 NZ LYS A 523 0.385 -5.564 8.742 1.00 0.00 N ATOM 0 H LYS A 523 -3.277 -8.247 3.291 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.481 -6.869 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.410 -7.558 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.767 -6.273 3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 523 -0.138 -5.340 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.647 -4.649 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.736 -6.244 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 523 -0.320 -7.086 6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 523 1.044 -5.010 6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 523 -0.370 -4.141 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.999 -4.867 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.509 -5.646 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 0.861 -6.488 8.723 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.546 -4.590 5.371 1.00 0.00 N ATOM 1387 CA PRO A 524 -5.040 -3.236 5.203 1.00 0.00 C ATOM 1388 C PRO A 524 -3.840 -2.280 5.221 1.00 0.00 C ATOM 1389 O PRO A 524 -3.198 -2.097 6.256 1.00 0.00 O ATOM 1390 CB PRO A 524 -6.008 -3.016 6.367 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.447 -3.891 7.490 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.630 -4.973 6.775 1.00 0.00 C ATOM 0 HA PRO A 524 -5.559 -3.060 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -6.046 -1.967 6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -7.024 -3.310 6.102 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.824 -3.310 8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -6.247 -4.329 8.087 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.635 -5.056 7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -5.106 -5.948 6.880 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.533 -1.678 4.072 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.489 -0.648 3.932 1.00 0.00 C ATOM 1402 C VAL A 525 -3.112 0.740 4.003 1.00 0.00 C ATOM 1403 O VAL A 525 -4.160 0.981 3.409 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.647 -0.799 2.645 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.663 -1.960 2.832 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.463 -1.000 1.356 1.00 0.00 C ATOM 0 H VAL A 525 -4.007 -1.892 3.195 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.799 -0.786 4.764 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.127 0.149 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.063 -2.077 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.009 -1.750 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.217 -2.880 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -1.785 -1.096 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.065 -1.905 1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.118 -0.142 1.202 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.475 1.642 4.746 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.910 3.027 4.907 1.00 0.00 C ATOM 1418 C GLN A 526 -2.595 3.813 3.631 1.00 0.00 C ATOM 1419 O GLN A 526 -1.492 3.716 3.101 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.197 3.639 6.120 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.821 4.981 6.531 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.071 5.604 7.702 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.194 6.440 7.532 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.368 5.234 8.929 1.00 0.00 N ATOM 0 H GLN A 526 -1.623 1.426 5.264 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.986 3.067 5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.245 2.944 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.142 3.785 5.886 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.808 5.665 5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.866 4.831 6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -3.096 4.538 9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.870 5.643 9.720 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.551 4.608 3.153 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.483 5.397 1.918 1.00 0.00 C ATOM 1435 C ILE A 527 -3.618 6.882 2.292 1.00 0.00 C ATOM 1436 O ILE A 527 -4.510 7.245 3.065 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.623 4.964 0.956 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.730 3.440 0.727 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.525 5.677 -0.401 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.487 2.773 0.133 1.00 0.00 C ATOM 0 H ILE A 527 -4.440 4.727 3.639 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.533 5.234 1.409 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.534 5.269 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -4.957 2.962 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.575 3.248 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.340 5.347 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.594 6.755 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.571 5.436 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.669 1.705 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.267 3.214 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.639 2.924 0.801 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.765 7.746 1.736 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.835 9.205 1.919 1.00 0.00 C ATOM 1454 C ARG A 528 -2.553 9.926 0.587 1.00 0.00 C ATOM 1455 O ARG A 528 -1.380 10.080 0.229 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.863 9.676 3.021 1.00 0.00 C ATOM 1457 CG ARG A 528 -2.234 9.253 4.450 1.00 0.00 C ATOM 1458 CD ARG A 528 -1.361 10.015 5.461 1.00 0.00 C ATOM 1459 NE ARG A 528 -1.036 9.203 6.646 1.00 0.00 N ATOM 1460 CZ ARG A 528 -0.313 9.606 7.680 1.00 0.00 C ATOM 1461 NH1 ARG A 528 0.017 10.860 7.874 1.00 0.00 N ATOM 1462 NH2 ARG A 528 0.101 8.726 8.561 1.00 0.00 N ATOM 0 H ARG A 528 -1.994 7.451 1.137 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.844 9.461 2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.869 9.292 2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.801 10.764 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -3.288 9.458 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.092 8.179 4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -0.437 10.330 4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -1.880 10.920 5.775 1.00 0.00 H new ATOM 0 HE ARG A 528 -1.398 8.250 6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 528 -0.285 11.575 7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 528 0.576 11.120 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -0.134 7.740 8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 528 0.658 9.028 9.360 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.592 10.365 -0.153 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.441 11.239 -1.314 1.00 0.00 C ATOM 1478 C PRO A 529 -2.740 12.541 -0.914 1.00 0.00 C ATOM 1479 O PRO A 529 -3.064 13.137 0.115 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.859 11.487 -1.845 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.645 10.279 -1.335 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.995 10.015 0.022 1.00 0.00 C ATOM 0 HA PRO A 529 -2.820 10.788 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.271 12.423 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.876 11.547 -2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.709 10.497 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.553 9.423 -2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.457 10.618 0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -5.107 8.971 0.316 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.759 12.969 -1.711 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.927 14.136 -1.411 1.00 0.00 C ATOM 1492 C TRP A 530 -1.677 15.467 -1.631 1.00 0.00 C ATOM 1493 O TRP A 530 -2.553 15.563 -2.494 1.00 0.00 O ATOM 1494 CB TRP A 530 0.354 14.038 -2.250 1.00 0.00 C ATOM 1495 CG TRP A 530 1.446 14.977 -1.852 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.589 16.245 -2.295 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.556 14.749 -0.928 1.00 0.00 C ATOM 1498 NE1 TRP A 530 2.687 16.824 -1.692 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.336 15.942 -0.858 1.00 0.00 C ATOM 1500 CE3 TRP A 530 2.985 13.655 -0.143 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.486 16.043 -0.060 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.137 13.746 0.663 1.00 0.00 C ATOM 1503 CH2 TRP A 530 4.888 14.934 0.703 1.00 0.00 C ATOM 0 H TRP A 530 -1.518 12.512 -2.590 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.667 14.134 -0.352 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.733 13.018 -2.188 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.101 14.222 -3.294 1.00 0.00 H new ATOM 0 HD1 TRP A 530 0.943 16.731 -3.011 1.00 0.00 H new ATOM 0 HE1 TRP A 530 2.982 17.788 -1.846 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.421 12.734 -0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.054 16.961 -0.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.446 12.897 1.255 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.773 14.994 1.319 1.00 0.00 H new