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 130:sc= 0.913 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0.113 USER MOD Set 2.1: A 512 TYR OH : rot 150:sc= 0.257 USER MOD Set 2.2: A 526 GLN : amide:sc= 1.22 K(o=1.5,f=-6.5!) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 460 SER OG : rot 72:sc= 1.23 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.08) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -76:sc= 0.311 USER MOD Single : A 498 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.17) USER MOD Single : A 504 CYS SG : rot 72:sc= 0.625 USER MOD Single : A 514 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0.548 USER MOD Single : A 521 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00465) USER MOD Single : A 523 LYS NZ :NH3+ -148:sc= 0.684 (180deg=0.317) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.199 13.657 -8.579 1.00 0.00 N ATOM 80 CA ARG A 441 -1.331 12.227 -8.902 1.00 0.00 C ATOM 81 C ARG A 441 -0.478 11.327 -7.992 1.00 0.00 C ATOM 82 O ARG A 441 -0.471 10.106 -8.157 1.00 0.00 O ATOM 83 CB ARG A 441 -0.987 11.989 -10.380 1.00 0.00 C ATOM 84 CG ARG A 441 -1.852 12.851 -11.314 1.00 0.00 C ATOM 85 CD ARG A 441 -1.783 12.401 -12.774 1.00 0.00 C ATOM 86 NE ARG A 441 -0.402 12.342 -13.286 1.00 0.00 N ATOM 87 CZ ARG A 441 0.310 13.327 -13.819 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.164 14.550 -13.943 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.533 13.088 -14.236 1.00 0.00 N ATOM 0 HA ARG A 441 -2.370 11.950 -8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 441 0.066 12.215 -10.549 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -1.130 10.936 -10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.888 12.816 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.529 13.890 -11.244 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.244 11.418 -12.869 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.365 13.087 -13.389 1.00 0.00 H new ATOM 0 HE ARG A 441 0.062 11.436 -13.223 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.108 14.766 -13.624 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.414 15.281 -14.358 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.928 12.152 -14.149 1.00 0.00 H new ATOM 0 HH22 ARG A 441 2.088 13.839 -14.647 1.00 0.00 H new ATOM 103 N LYS A 442 0.259 11.911 -7.040 1.00 0.00 N ATOM 104 CA LYS A 442 1.051 11.191 -6.039 1.00 0.00 C ATOM 105 C LYS A 442 0.166 10.693 -4.877 1.00 0.00 C ATOM 106 O LYS A 442 -0.686 11.434 -4.384 1.00 0.00 O ATOM 107 CB LYS A 442 2.191 12.118 -5.571 1.00 0.00 C ATOM 108 CG LYS A 442 3.116 11.484 -4.516 1.00 0.00 C ATOM 109 CD LYS A 442 4.246 12.429 -4.080 1.00 0.00 C ATOM 110 CE LYS A 442 5.289 12.658 -5.183 1.00 0.00 C ATOM 111 NZ LYS A 442 6.374 13.565 -4.727 1.00 0.00 N ATOM 0 H LYS A 442 0.322 12.924 -6.943 1.00 0.00 H new ATOM 0 HA LYS A 442 1.488 10.293 -6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.788 12.409 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.759 13.030 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.527 11.201 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.548 10.568 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 442 3.819 13.388 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 442 4.739 12.016 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 442 5.716 11.702 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 442 4.804 13.083 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 7.061 13.698 -5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 5.969 14.485 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.853 13.147 -3.904 1.00 0.00 H new ATOM 125 N VAL A 443 0.385 9.460 -4.410 1.00 0.00 N ATOM 126 CA VAL A 443 -0.301 8.869 -3.242 1.00 0.00 C ATOM 127 C VAL A 443 0.688 8.028 -2.432 1.00 0.00 C ATOM 128 O VAL A 443 1.248 7.069 -2.952 1.00 0.00 O ATOM 129 CB VAL A 443 -1.509 7.991 -3.658 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.247 7.442 -2.426 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.520 8.743 -4.538 1.00 0.00 C ATOM 0 H VAL A 443 1.058 8.825 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.681 9.691 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.088 7.172 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.089 6.830 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.563 6.834 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.612 8.272 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.343 8.077 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.908 9.604 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -2.027 9.083 -5.449 1.00 0.00 H new ATOM 141 N PHE A 444 0.893 8.366 -1.158 1.00 0.00 N ATOM 142 CA PHE A 444 1.678 7.558 -0.222 1.00 0.00 C ATOM 143 C PHE A 444 0.861 6.355 0.279 1.00 0.00 C ATOM 144 O PHE A 444 -0.342 6.471 0.524 1.00 0.00 O ATOM 145 CB PHE A 444 2.146 8.451 0.937 1.00 0.00 C ATOM 146 CG PHE A 444 2.877 7.724 2.055 1.00 0.00 C ATOM 147 CD1 PHE A 444 2.155 7.114 3.102 1.00 0.00 C ATOM 148 CD2 PHE A 444 4.282 7.656 2.054 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.833 6.471 4.152 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.961 7.020 3.108 1.00 0.00 C ATOM 151 CZ PHE A 444 4.238 6.434 4.161 1.00 0.00 C ATOM 0 H PHE A 444 0.515 9.217 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 444 2.555 7.155 -0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.802 9.225 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.278 8.956 1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 444 1.075 7.141 3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.841 8.094 1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.275 6.006 4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 444 6.040 6.982 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.761 5.956 4.976 1.00 0.00 H new ATOM 161 N VAL A 445 1.529 5.216 0.471 1.00 0.00 N ATOM 162 CA VAL A 445 0.958 3.967 1.002 1.00 0.00 C ATOM 163 C VAL A 445 1.870 3.424 2.101 1.00 0.00 C ATOM 164 O VAL A 445 3.057 3.217 1.856 1.00 0.00 O ATOM 165 CB VAL A 445 0.779 2.906 -0.105 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.177 1.594 0.431 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.115 3.435 -1.231 1.00 0.00 C ATOM 0 H VAL A 445 2.522 5.130 0.254 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.029 4.188 1.409 1.00 0.00 H new ATOM 0 HB VAL A 445 1.777 2.696 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.072 0.881 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.835 1.177 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.802 1.794 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.225 2.669 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.095 3.689 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.339 4.324 -1.669 1.00 0.00 H new ATOM 177 N GLY A 446 1.316 3.196 3.297 1.00 0.00 N ATOM 178 CA GLY A 446 2.036 2.682 4.471 1.00 0.00 C ATOM 179 C GLY A 446 1.472 1.363 5.000 1.00 0.00 C ATOM 180 O GLY A 446 0.271 1.105 4.897 1.00 0.00 O ATOM 0 H GLY A 446 0.328 3.368 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.085 2.542 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.001 3.428 5.265 1.00 0.00 H new ATOM 184 N GLY A 447 2.336 0.537 5.599 1.00 0.00 N ATOM 185 CA GLY A 447 1.977 -0.764 6.185 1.00 0.00 C ATOM 186 C GLY A 447 2.091 -1.941 5.210 1.00 0.00 C ATOM 187 O GLY A 447 1.467 -2.977 5.440 1.00 0.00 O ATOM 0 H GLY A 447 3.328 0.757 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.621 -0.954 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 447 0.954 -0.713 6.558 1.00 0.00 H new ATOM 191 N LEU A 448 2.857 -1.787 4.123 1.00 0.00 N ATOM 192 CA LEU A 448 3.087 -2.815 3.100 1.00 0.00 C ATOM 193 C LEU A 448 3.713 -4.094 3.709 1.00 0.00 C ATOM 194 O LEU A 448 4.519 -3.976 4.641 1.00 0.00 O ATOM 195 CB LEU A 448 4.020 -2.242 2.010 1.00 0.00 C ATOM 196 CG LEU A 448 3.422 -1.121 1.134 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.524 -0.511 0.257 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.310 -1.644 0.212 1.00 0.00 C ATOM 0 H LEU A 448 3.349 -0.916 3.925 1.00 0.00 H new ATOM 0 HA LEU A 448 2.126 -3.092 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 448 4.919 -1.859 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.331 -3.059 1.359 1.00 0.00 H new ATOM 0 HG LEU A 448 2.997 -0.376 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.101 0.281 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.307 -0.096 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.949 -1.284 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.917 -0.822 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.715 -2.412 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.508 -2.070 0.815 1.00 0.00 H new ATOM 210 N PRO A 449 3.391 -5.301 3.189 1.00 0.00 N ATOM 211 CA PRO A 449 4.049 -6.551 3.575 1.00 0.00 C ATOM 212 C PRO A 449 5.583 -6.493 3.431 1.00 0.00 C ATOM 213 O PRO A 449 6.082 -5.758 2.576 1.00 0.00 O ATOM 214 CB PRO A 449 3.463 -7.628 2.659 1.00 0.00 C ATOM 215 CG PRO A 449 2.088 -7.082 2.288 1.00 0.00 C ATOM 216 CD PRO A 449 2.333 -5.576 2.223 1.00 0.00 C ATOM 0 HA PRO A 449 3.869 -6.758 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.083 -7.783 1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.388 -8.589 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.739 -7.477 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.336 -7.338 3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.631 -5.272 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.427 -5.022 2.468 1.00 0.00 H new ATOM 224 N PRO A 450 6.340 -7.281 4.221 1.00 0.00 N ATOM 225 CA PRO A 450 7.797 -7.178 4.314 1.00 0.00 C ATOM 226 C PRO A 450 8.562 -7.775 3.116 1.00 0.00 C ATOM 227 O PRO A 450 9.792 -7.732 3.111 1.00 0.00 O ATOM 228 CB PRO A 450 8.152 -7.889 5.627 1.00 0.00 C ATOM 229 CG PRO A 450 7.077 -8.969 5.733 1.00 0.00 C ATOM 230 CD PRO A 450 5.843 -8.258 5.182 1.00 0.00 C ATOM 0 HA PRO A 450 8.102 -6.132 4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.154 -8.318 5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.124 -7.206 6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.331 -9.854 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 450 6.931 -9.297 6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.165 -8.966 4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.284 -7.771 5.981 1.00 0.00 H new ATOM 238 N ASP A 451 7.871 -8.324 2.106 1.00 0.00 N ATOM 239 CA ASP A 451 8.484 -9.003 0.950 1.00 0.00 C ATOM 240 C ASP A 451 7.765 -8.699 -0.384 1.00 0.00 C ATOM 241 O ASP A 451 7.930 -9.422 -1.366 1.00 0.00 O ATOM 242 CB ASP A 451 8.569 -10.513 1.249 1.00 0.00 C ATOM 243 CG ASP A 451 9.582 -11.256 0.357 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.759 -10.822 0.287 1.00 0.00 O ATOM 245 OD2 ASP A 451 9.225 -12.314 -0.215 1.00 0.00 O ATOM 0 H ASP A 451 6.852 -8.309 2.067 1.00 0.00 H new ATOM 0 HA ASP A 451 9.491 -8.610 0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.844 -10.654 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.583 -10.959 1.116 1.00 0.00 H new ATOM 250 N ILE A 452 6.947 -7.639 -0.422 1.00 0.00 N ATOM 251 CA ILE A 452 6.212 -7.215 -1.625 1.00 0.00 C ATOM 252 C ILE A 452 7.111 -6.415 -2.583 1.00 0.00 C ATOM 253 O ILE A 452 7.822 -5.505 -2.151 1.00 0.00 O ATOM 254 CB ILE A 452 4.922 -6.463 -1.224 1.00 0.00 C ATOM 255 CG1 ILE A 452 3.941 -6.462 -2.410 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.173 -5.041 -0.695 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.559 -5.891 -2.087 1.00 0.00 C ATOM 0 H ILE A 452 6.774 -7.045 0.389 1.00 0.00 H new ATOM 0 HA ILE A 452 5.905 -8.099 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 452 4.481 -7.000 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.377 -5.886 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 452 3.823 -7.484 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.222 -4.577 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.808 -5.089 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.667 -4.448 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 452 1.932 -5.929 -2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.098 -6.480 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.660 -4.857 -1.758 1.00 0.00 H new ATOM 269 N ASP A 453 7.106 -6.753 -3.872 1.00 0.00 N ATOM 270 CA ASP A 453 7.962 -6.102 -4.877 1.00 0.00 C ATOM 271 C ASP A 453 7.282 -4.940 -5.623 1.00 0.00 C ATOM 272 O ASP A 453 6.071 -4.734 -5.545 1.00 0.00 O ATOM 273 CB ASP A 453 8.566 -7.135 -5.846 1.00 0.00 C ATOM 274 CG ASP A 453 7.879 -7.189 -7.219 1.00 0.00 C ATOM 275 OD1 ASP A 453 6.738 -7.692 -7.305 1.00 0.00 O ATOM 276 OD2 ASP A 453 8.479 -6.694 -8.201 1.00 0.00 O ATOM 0 H ASP A 453 6.509 -7.486 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 453 8.777 -5.639 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.622 -6.907 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 453 8.512 -8.122 -5.387 1.00 0.00 H new ATOM 281 N GLU A 454 8.088 -4.208 -6.392 1.00 0.00 N ATOM 282 CA GLU A 454 7.666 -3.098 -7.254 1.00 0.00 C ATOM 283 C GLU A 454 6.474 -3.460 -8.165 1.00 0.00 C ATOM 284 O GLU A 454 5.511 -2.694 -8.259 1.00 0.00 O ATOM 285 CB GLU A 454 8.871 -2.660 -8.107 1.00 0.00 C ATOM 286 CG GLU A 454 8.605 -1.380 -8.908 1.00 0.00 C ATOM 287 CD GLU A 454 9.847 -0.985 -9.718 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.731 -0.298 -9.155 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.940 -1.349 -10.914 1.00 0.00 O ATOM 0 H GLU A 454 9.093 -4.377 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 454 7.324 -2.285 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.731 -2.503 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.134 -3.464 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.760 -1.533 -9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.332 -0.570 -8.231 1.00 0.00 H new ATOM 296 N ASP A 455 6.505 -4.627 -8.815 1.00 0.00 N ATOM 297 CA ASP A 455 5.459 -5.080 -9.737 1.00 0.00 C ATOM 298 C ASP A 455 4.188 -5.548 -9.006 1.00 0.00 C ATOM 299 O ASP A 455 3.088 -5.316 -9.503 1.00 0.00 O ATOM 300 CB ASP A 455 6.016 -6.186 -10.644 1.00 0.00 C ATOM 301 CG ASP A 455 5.022 -6.584 -11.747 1.00 0.00 C ATOM 302 OD1 ASP A 455 4.823 -5.784 -12.693 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.469 -7.708 -11.686 1.00 0.00 O ATOM 0 H ASP A 455 7.270 -5.294 -8.714 1.00 0.00 H new ATOM 0 HA ASP A 455 5.161 -4.228 -10.348 1.00 0.00 H new ATOM 0 HB2 ASP A 455 6.946 -5.846 -11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.258 -7.061 -10.041 1.00 0.00 H new ATOM 308 N GLU A 456 4.314 -6.129 -7.809 1.00 0.00 N ATOM 309 CA GLU A 456 3.178 -6.427 -6.928 1.00 0.00 C ATOM 310 C GLU A 456 2.510 -5.156 -6.395 1.00 0.00 C ATOM 311 O GLU A 456 1.283 -5.078 -6.390 1.00 0.00 O ATOM 312 CB GLU A 456 3.623 -7.285 -5.740 1.00 0.00 C ATOM 313 CG GLU A 456 3.733 -8.766 -6.096 1.00 0.00 C ATOM 314 CD GLU A 456 4.324 -9.585 -4.940 1.00 0.00 C ATOM 315 OE1 GLU A 456 5.339 -9.158 -4.342 1.00 0.00 O ATOM 316 OE2 GLU A 456 3.762 -10.665 -4.634 1.00 0.00 O ATOM 0 H GLU A 456 5.215 -6.409 -7.420 1.00 0.00 H new ATOM 0 HA GLU A 456 2.453 -6.972 -7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.588 -6.929 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.913 -7.163 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 456 2.746 -9.154 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.358 -8.882 -6.981 1.00 0.00 H new ATOM 323 N ILE A 457 3.277 -4.138 -5.984 1.00 0.00 N ATOM 324 CA ILE A 457 2.716 -2.839 -5.564 1.00 0.00 C ATOM 325 C ILE A 457 2.020 -2.163 -6.754 1.00 0.00 C ATOM 326 O ILE A 457 0.935 -1.606 -6.586 1.00 0.00 O ATOM 327 CB ILE A 457 3.798 -1.924 -4.940 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.451 -2.555 -3.690 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.182 -0.567 -4.536 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.817 -1.936 -3.365 1.00 0.00 C ATOM 0 H ILE A 457 4.295 -4.186 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 457 1.974 -3.018 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 457 4.567 -1.787 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.787 -2.430 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.570 -3.627 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.953 0.067 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.768 -0.078 -5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.389 -0.730 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.232 -2.415 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.493 -2.084 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.698 -0.869 -3.178 1.00 0.00 H new ATOM 342 N THR A 458 2.585 -2.274 -7.963 1.00 0.00 N ATOM 343 CA THR A 458 1.962 -1.770 -9.196 1.00 0.00 C ATOM 344 C THR A 458 0.663 -2.507 -9.480 1.00 0.00 C ATOM 345 O THR A 458 -0.367 -1.857 -9.616 1.00 0.00 O ATOM 346 CB THR A 458 2.931 -1.844 -10.386 1.00 0.00 C ATOM 347 OG1 THR A 458 4.116 -1.148 -10.080 1.00 0.00 O ATOM 348 CG2 THR A 458 2.344 -1.196 -11.642 1.00 0.00 C ATOM 0 H THR A 458 3.491 -2.718 -8.115 1.00 0.00 H new ATOM 0 HA THR A 458 1.722 -0.717 -9.048 1.00 0.00 H new ATOM 0 HB THR A 458 3.120 -2.901 -10.573 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.618 -1.641 -9.398 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.062 -1.270 -12.459 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.423 -1.709 -11.920 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.128 -0.146 -11.443 1.00 0.00 H new ATOM 356 N ALA A 459 0.660 -3.841 -9.505 1.00 0.00 N ATOM 357 CA ALA A 459 -0.547 -4.640 -9.729 1.00 0.00 C ATOM 358 C ALA A 459 -1.617 -4.421 -8.641 1.00 0.00 C ATOM 359 O ALA A 459 -2.813 -4.453 -8.933 1.00 0.00 O ATOM 360 CB ALA A 459 -0.137 -6.115 -9.828 1.00 0.00 C ATOM 0 H ALA A 459 1.501 -4.402 -9.369 1.00 0.00 H new ATOM 0 HA ALA A 459 -1.013 -4.319 -10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.022 -6.728 -9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.556 -6.245 -10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.347 -6.421 -8.900 1.00 0.00 H new ATOM 366 N SER A 460 -1.200 -4.131 -7.408 1.00 0.00 N ATOM 367 CA SER A 460 -2.089 -3.808 -6.285 1.00 0.00 C ATOM 368 C SER A 460 -2.834 -2.470 -6.433 1.00 0.00 C ATOM 369 O SER A 460 -3.826 -2.263 -5.730 1.00 0.00 O ATOM 370 CB SER A 460 -1.313 -3.801 -4.961 1.00 0.00 C ATOM 371 OG SER A 460 -0.803 -5.087 -4.641 1.00 0.00 O ATOM 0 H SER A 460 -0.212 -4.113 -7.154 1.00 0.00 H new ATOM 0 HA SER A 460 -2.843 -4.595 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.490 -3.090 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.967 -3.459 -4.158 1.00 0.00 H new ATOM 0 HG SER A 460 -0.065 -5.307 -5.248 1.00 0.00 H new ATOM 377 N PHE A 461 -2.422 -1.584 -7.351 1.00 0.00 N ATOM 378 CA PHE A 461 -3.115 -0.315 -7.620 1.00 0.00 C ATOM 379 C PHE A 461 -3.416 -0.083 -9.116 1.00 0.00 C ATOM 380 O PHE A 461 -4.136 0.854 -9.456 1.00 0.00 O ATOM 381 CB PHE A 461 -2.336 0.828 -6.953 1.00 0.00 C ATOM 382 CG PHE A 461 -2.398 0.808 -5.431 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.453 0.073 -4.689 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.390 1.538 -4.746 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.504 0.048 -3.285 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.429 1.532 -3.338 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.495 0.777 -2.608 1.00 0.00 C ATOM 0 H PHE A 461 -1.595 -1.728 -7.931 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.109 -0.355 -7.174 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.293 0.775 -7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.728 1.780 -7.311 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.680 -0.478 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.123 2.104 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.782 -0.531 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.179 2.109 -2.818 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.539 0.758 -1.529 1.00 0.00 H new ATOM 397 N ARG A 462 -2.984 -0.986 -10.010 1.00 0.00 N ATOM 398 CA ARG A 462 -3.294 -0.966 -11.450 1.00 0.00 C ATOM 399 C ARG A 462 -4.801 -1.062 -11.749 1.00 0.00 C ATOM 400 O ARG A 462 -5.250 -0.568 -12.786 1.00 0.00 O ATOM 401 CB ARG A 462 -2.495 -2.081 -12.157 1.00 0.00 C ATOM 402 CG ARG A 462 -2.665 -2.144 -13.686 1.00 0.00 C ATOM 403 CD ARG A 462 -2.248 -0.835 -14.371 1.00 0.00 C ATOM 404 NE ARG A 462 -2.556 -0.839 -15.811 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.732 -0.578 -16.374 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.823 -0.348 -15.670 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.827 -0.544 -17.686 1.00 0.00 N ATOM 0 H ARG A 462 -2.392 -1.773 -9.744 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.990 0.003 -11.845 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.437 -1.947 -11.931 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.792 -3.041 -11.735 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -2.068 -2.965 -14.082 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.706 -2.362 -13.925 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.759 0.002 -13.894 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.179 -0.678 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.787 -1.066 -16.442 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.786 -0.366 -14.651 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.704 -0.152 -16.145 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -3.003 -0.717 -18.262 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.725 -0.345 -18.127 1.00 0.00 H new ATOM 421 N ARG A 463 -5.586 -1.605 -10.809 1.00 0.00 N ATOM 422 CA ARG A 463 -7.062 -1.618 -10.795 1.00 0.00 C ATOM 423 C ARG A 463 -7.728 -0.224 -10.853 1.00 0.00 C ATOM 424 O ARG A 463 -8.924 -0.140 -11.135 1.00 0.00 O ATOM 425 CB ARG A 463 -7.561 -2.435 -9.580 1.00 0.00 C ATOM 426 CG ARG A 463 -6.940 -2.019 -8.231 1.00 0.00 C ATOM 427 CD ARG A 463 -7.521 -2.814 -7.051 1.00 0.00 C ATOM 428 NE ARG A 463 -6.606 -2.777 -5.898 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.739 -3.385 -4.727 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.838 -4.019 -4.373 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.722 -3.358 -3.897 1.00 0.00 N ATOM 0 H ARG A 463 -5.191 -2.073 -9.993 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.372 -2.098 -11.723 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.644 -2.337 -9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.347 -3.489 -9.754 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.861 -2.167 -8.269 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.110 -0.955 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.488 -2.399 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.693 -3.847 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.764 -2.213 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.633 -4.057 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.894 -4.472 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.861 -2.879 -4.161 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.793 -3.816 -2.989 1.00 0.00 H new ATOM 445 N PHE A 464 -6.969 0.859 -10.645 1.00 0.00 N ATOM 446 CA PHE A 464 -7.430 2.253 -10.734 1.00 0.00 C ATOM 447 C PHE A 464 -6.980 2.977 -12.019 1.00 0.00 C ATOM 448 O PHE A 464 -7.378 4.120 -12.246 1.00 0.00 O ATOM 449 CB PHE A 464 -6.943 2.987 -9.474 1.00 0.00 C ATOM 450 CG PHE A 464 -7.411 2.331 -8.187 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.787 2.171 -7.948 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.480 1.799 -7.273 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.233 1.472 -6.816 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.927 1.089 -6.144 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.304 0.928 -5.912 1.00 0.00 C ATOM 0 H PHE A 464 -5.981 0.788 -10.401 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.519 2.254 -10.789 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.854 3.025 -9.481 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.298 4.017 -9.500 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.504 2.588 -8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.422 1.937 -7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.292 1.352 -6.639 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.211 0.667 -5.454 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.647 0.388 -5.042 1.00 0.00 H new ATOM 465 N GLY A 465 -6.171 2.323 -12.860 1.00 0.00 N ATOM 466 CA GLY A 465 -5.490 2.898 -14.028 1.00 0.00 C ATOM 467 C GLY A 465 -3.964 2.742 -13.941 1.00 0.00 C ATOM 468 O GLY A 465 -3.459 2.320 -12.897 1.00 0.00 O ATOM 0 H GLY A 465 -5.963 1.332 -12.740 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.853 2.413 -14.934 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.742 3.955 -14.110 1.00 0.00 H new ATOM 472 N PRO A 466 -3.220 3.040 -15.024 1.00 0.00 N ATOM 473 CA PRO A 466 -1.767 2.880 -15.074 1.00 0.00 C ATOM 474 C PRO A 466 -1.044 3.871 -14.151 1.00 0.00 C ATOM 475 O PRO A 466 -1.547 4.956 -13.849 1.00 0.00 O ATOM 476 CB PRO A 466 -1.383 3.040 -16.548 1.00 0.00 C ATOM 477 CG PRO A 466 -2.509 3.888 -17.136 1.00 0.00 C ATOM 478 CD PRO A 466 -3.731 3.484 -16.313 1.00 0.00 C ATOM 0 HA PRO A 466 -1.458 1.903 -14.702 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.416 3.531 -16.657 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.309 2.074 -17.048 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.298 4.953 -17.044 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.654 3.682 -18.196 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.415 4.324 -16.193 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.288 2.688 -16.807 1.00 0.00 H new ATOM 486 N LEU A 467 0.149 3.471 -13.698 1.00 0.00 N ATOM 487 CA LEU A 467 0.936 4.140 -12.660 1.00 0.00 C ATOM 488 C LEU A 467 2.417 3.709 -12.675 1.00 0.00 C ATOM 489 O LEU A 467 2.785 2.748 -13.354 1.00 0.00 O ATOM 490 CB LEU A 467 0.298 3.888 -11.266 1.00 0.00 C ATOM 491 CG LEU A 467 0.467 2.471 -10.664 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.253 2.531 -9.147 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.515 1.448 -11.250 1.00 0.00 C ATOM 0 H LEU A 467 0.611 2.637 -14.061 1.00 0.00 H new ATOM 0 HA LEU A 467 0.922 5.209 -12.873 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.721 4.607 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.769 4.101 -11.337 1.00 0.00 H new ATOM 0 HG LEU A 467 1.477 2.145 -10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.372 1.534 -8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.986 3.204 -8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.751 2.898 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.346 0.475 -10.788 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.537 1.771 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.360 1.370 -12.326 1.00 0.00 H new ATOM 505 N VAL A 468 3.241 4.388 -11.875 1.00 0.00 N ATOM 506 CA VAL A 468 4.620 3.996 -11.529 1.00 0.00 C ATOM 507 C VAL A 468 4.802 4.075 -10.004 1.00 0.00 C ATOM 508 O VAL A 468 4.048 4.780 -9.333 1.00 0.00 O ATOM 509 CB VAL A 468 5.681 4.805 -12.323 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.980 6.200 -11.782 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.991 4.014 -12.447 1.00 0.00 C ATOM 0 H VAL A 468 2.960 5.262 -11.430 1.00 0.00 H new ATOM 0 HA VAL A 468 4.784 2.962 -11.832 1.00 0.00 H new ATOM 0 HB VAL A 468 5.225 4.957 -13.301 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.733 6.679 -12.408 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.068 6.797 -11.790 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.353 6.122 -10.761 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.719 4.601 -13.007 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.384 3.802 -11.452 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.802 3.076 -12.970 1.00 0.00 H new ATOM 521 N VAL A 469 5.769 3.336 -9.452 1.00 0.00 N ATOM 522 CA VAL A 469 5.964 3.156 -8.000 1.00 0.00 C ATOM 523 C VAL A 469 7.417 3.461 -7.617 1.00 0.00 C ATOM 524 O VAL A 469 8.351 3.044 -8.302 1.00 0.00 O ATOM 525 CB VAL A 469 5.569 1.723 -7.565 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.767 1.497 -6.055 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.099 1.421 -7.911 1.00 0.00 C ATOM 0 H VAL A 469 6.457 2.832 -10.011 1.00 0.00 H new ATOM 0 HA VAL A 469 5.314 3.856 -7.475 1.00 0.00 H new ATOM 0 HB VAL A 469 6.228 1.050 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.477 0.478 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.815 1.651 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.150 2.201 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.851 0.408 -7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.451 2.131 -7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 469 3.953 1.510 -8.988 1.00 0.00 H new ATOM 537 N ASP A 470 7.602 4.175 -6.505 1.00 0.00 N ATOM 538 CA ASP A 470 8.890 4.666 -5.998 1.00 0.00 C ATOM 539 C ASP A 470 8.893 4.768 -4.459 1.00 0.00 C ATOM 540 O ASP A 470 7.842 4.710 -3.824 1.00 0.00 O ATOM 541 CB ASP A 470 9.192 6.019 -6.668 1.00 0.00 C ATOM 542 CG ASP A 470 10.606 6.542 -6.365 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.563 5.737 -6.440 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.748 7.749 -6.060 1.00 0.00 O ATOM 0 H ASP A 470 6.822 4.440 -5.903 1.00 0.00 H new ATOM 0 HA ASP A 470 9.678 3.957 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.072 5.918 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.460 6.754 -6.334 1.00 0.00 H new ATOM 786 N GLY A 485 8.585 -0.715 4.558 1.00 0.00 N ATOM 787 CA GLY A 485 7.142 -1.014 4.622 1.00 0.00 C ATOM 788 C GLY A 485 6.232 0.110 4.113 1.00 0.00 C ATOM 789 O GLY A 485 5.056 0.149 4.471 1.00 0.00 O ATOM 0 HA2 GLY A 485 6.945 -1.914 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 485 6.877 -1.238 5.655 1.00 0.00 H new ATOM 793 N TYR A 486 6.744 1.014 3.272 1.00 0.00 N ATOM 794 CA TYR A 486 5.980 2.122 2.678 1.00 0.00 C ATOM 795 C TYR A 486 6.518 2.557 1.303 1.00 0.00 C ATOM 796 O TYR A 486 7.698 2.369 1.001 1.00 0.00 O ATOM 797 CB TYR A 486 5.906 3.307 3.658 1.00 0.00 C ATOM 798 CG TYR A 486 7.230 3.938 4.065 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.915 4.801 3.184 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.753 3.705 5.352 1.00 0.00 C ATOM 801 CE1 TYR A 486 9.126 5.402 3.575 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.952 4.322 5.757 1.00 0.00 C ATOM 803 CZ TYR A 486 9.653 5.161 4.862 1.00 0.00 C ATOM 804 OH TYR A 486 10.832 5.740 5.232 1.00 0.00 O ATOM 0 H TYR A 486 7.720 0.998 2.978 1.00 0.00 H new ATOM 0 HA TYR A 486 4.970 1.754 2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.283 4.081 3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.397 2.971 4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 486 7.508 5.002 2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.231 3.049 6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 486 9.653 6.049 2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.336 4.154 6.752 1.00 0.00 H new ATOM 0 HH TYR A 486 11.054 5.473 6.148 1.00 0.00 H new ATOM 814 N ALA A 487 5.654 3.157 0.475 1.00 0.00 N ATOM 815 CA ALA A 487 5.971 3.595 -0.887 1.00 0.00 C ATOM 816 C ALA A 487 5.057 4.738 -1.362 1.00 0.00 C ATOM 817 O ALA A 487 4.021 5.023 -0.756 1.00 0.00 O ATOM 818 CB ALA A 487 5.892 2.378 -1.826 1.00 0.00 C ATOM 0 H ALA A 487 4.690 3.356 0.742 1.00 0.00 H new ATOM 0 HA ALA A 487 6.982 4.002 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.126 2.688 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.608 1.623 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.886 1.960 -1.796 1.00 0.00 H new ATOM 824 N PHE A 488 5.441 5.357 -2.478 1.00 0.00 N ATOM 825 CA PHE A 488 4.689 6.365 -3.217 1.00 0.00 C ATOM 826 C PHE A 488 4.260 5.808 -4.581 1.00 0.00 C ATOM 827 O PHE A 488 5.081 5.344 -5.373 1.00 0.00 O ATOM 828 CB PHE A 488 5.552 7.619 -3.417 1.00 0.00 C ATOM 829 CG PHE A 488 5.785 8.447 -2.169 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.836 9.412 -1.783 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.965 8.287 -1.419 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.081 10.237 -0.672 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.202 9.104 -0.297 1.00 0.00 C ATOM 834 CZ PHE A 488 6.265 10.086 0.069 1.00 0.00 C ATOM 0 H PHE A 488 6.340 5.154 -2.915 1.00 0.00 H new ATOM 0 HA PHE A 488 3.799 6.630 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.519 7.315 -3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.079 8.250 -4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.918 9.519 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.689 7.538 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.359 10.988 -0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.104 8.976 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.455 10.724 0.919 1.00 0.00 H new ATOM 844 N LEU A 489 2.963 5.908 -4.857 1.00 0.00 N ATOM 845 CA LEU A 489 2.336 5.660 -6.151 1.00 0.00 C ATOM 846 C LEU A 489 2.243 6.986 -6.909 1.00 0.00 C ATOM 847 O LEU A 489 1.873 8.004 -6.314 1.00 0.00 O ATOM 848 CB LEU A 489 0.910 5.111 -5.943 1.00 0.00 C ATOM 849 CG LEU A 489 0.745 3.965 -4.929 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.749 3.656 -4.806 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.521 2.702 -5.322 1.00 0.00 C ATOM 0 H LEU A 489 2.285 6.179 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 489 2.927 4.936 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.271 5.936 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.535 4.767 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 489 1.160 4.286 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.895 2.846 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.277 4.544 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.140 3.358 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.365 1.930 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.166 2.343 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.584 2.934 -5.389 1.00 0.00 H new ATOM 863 N LEU A 490 2.514 6.957 -8.212 1.00 0.00 N ATOM 864 CA LEU A 490 2.313 8.066 -9.146 1.00 0.00 C ATOM 865 C LEU A 490 1.409 7.568 -10.279 1.00 0.00 C ATOM 866 O LEU A 490 1.848 6.763 -11.106 1.00 0.00 O ATOM 867 CB LEU A 490 3.667 8.523 -9.725 1.00 0.00 C ATOM 868 CG LEU A 490 4.817 8.837 -8.755 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.067 9.148 -9.593 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.486 10.009 -7.825 1.00 0.00 C ATOM 0 H LEU A 490 2.895 6.127 -8.666 1.00 0.00 H new ATOM 0 HA LEU A 490 1.855 8.912 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.013 7.747 -10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.486 9.416 -10.323 1.00 0.00 H new ATOM 0 HG LEU A 490 4.988 7.974 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.902 9.375 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.317 8.284 -10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.870 10.006 -10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.328 10.193 -7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.292 10.902 -8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.602 9.767 -7.235 1.00 0.00 H new ATOM 882 N PHE A 491 0.152 8.011 -10.312 1.00 0.00 N ATOM 883 CA PHE A 491 -0.825 7.591 -11.324 1.00 0.00 C ATOM 884 C PHE A 491 -0.713 8.413 -12.620 1.00 0.00 C ATOM 885 O PHE A 491 -0.178 9.524 -12.632 1.00 0.00 O ATOM 886 CB PHE A 491 -2.239 7.656 -10.729 1.00 0.00 C ATOM 887 CG PHE A 491 -2.508 6.631 -9.639 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.000 5.352 -9.971 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.275 6.954 -8.288 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.254 4.409 -8.961 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.544 6.014 -7.277 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.037 4.741 -7.614 1.00 0.00 C ATOM 0 H PHE A 491 -0.222 8.675 -9.634 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.607 6.560 -11.604 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.403 8.654 -10.322 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.964 7.515 -11.530 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.182 5.097 -11.004 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.888 7.928 -8.027 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.617 3.426 -9.221 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.372 6.270 -6.242 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.248 4.020 -6.838 1.00 0.00 H new ATOM 902 N GLN A 492 -1.247 7.877 -13.721 1.00 0.00 N ATOM 903 CA GLN A 492 -1.278 8.551 -15.025 1.00 0.00 C ATOM 904 C GLN A 492 -2.342 9.662 -15.099 1.00 0.00 C ATOM 905 O GLN A 492 -2.168 10.621 -15.850 1.00 0.00 O ATOM 906 CB GLN A 492 -1.508 7.483 -16.108 1.00 0.00 C ATOM 907 CG GLN A 492 -1.422 7.995 -17.559 1.00 0.00 C ATOM 908 CD GLN A 492 -0.084 8.655 -17.913 1.00 0.00 C ATOM 909 OE1 GLN A 492 0.983 8.270 -17.448 1.00 0.00 O ATOM 910 NE2 GLN A 492 -0.080 9.679 -18.742 1.00 0.00 N ATOM 0 H GLN A 492 -1.676 6.951 -13.734 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.324 9.054 -15.183 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.773 6.689 -15.975 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.491 7.037 -15.954 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -1.594 7.160 -18.238 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -2.225 8.713 -17.728 1.00 0.00 H new ATOM 0 HE21 GLN A 492 -0.956 10.016 -19.141 1.00 0.00 H new ATOM 0 HE22 GLN A 492 0.799 10.135 -18.985 1.00 0.00 H new ATOM 919 N GLU A 493 -3.414 9.567 -14.304 1.00 0.00 N ATOM 920 CA GLU A 493 -4.519 10.535 -14.249 1.00 0.00 C ATOM 921 C GLU A 493 -4.977 10.753 -12.799 1.00 0.00 C ATOM 922 O GLU A 493 -5.000 9.816 -11.999 1.00 0.00 O ATOM 923 CB GLU A 493 -5.709 10.049 -15.099 1.00 0.00 C ATOM 924 CG GLU A 493 -5.391 9.963 -16.599 1.00 0.00 C ATOM 925 CD GLU A 493 -6.652 9.641 -17.415 1.00 0.00 C ATOM 926 OE1 GLU A 493 -6.950 8.443 -17.632 1.00 0.00 O ATOM 927 OE2 GLU A 493 -7.347 10.587 -17.858 1.00 0.00 O ATOM 0 H GLU A 493 -3.542 8.788 -13.658 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.157 11.481 -14.652 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -6.022 9.067 -14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.551 10.725 -14.952 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.966 10.908 -16.938 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.637 9.195 -16.770 1.00 0.00 H new ATOM 934 N GLU A 494 -5.381 11.982 -12.455 1.00 0.00 N ATOM 935 CA GLU A 494 -5.955 12.296 -11.135 1.00 0.00 C ATOM 936 C GLU A 494 -7.235 11.484 -10.867 1.00 0.00 C ATOM 937 O GLU A 494 -7.491 11.068 -9.737 1.00 0.00 O ATOM 938 CB GLU A 494 -6.260 13.799 -11.024 1.00 0.00 C ATOM 939 CG GLU A 494 -5.001 14.668 -10.941 1.00 0.00 C ATOM 940 CD GLU A 494 -5.369 16.149 -10.788 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.603 16.595 -9.641 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.419 16.872 -11.811 1.00 0.00 O ATOM 0 H GLU A 494 -5.321 12.786 -13.079 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.214 12.022 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -6.850 14.108 -11.887 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.873 13.974 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.391 14.351 -10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.398 14.529 -11.839 1.00 0.00 H new ATOM 949 N SER A 495 -7.994 11.153 -11.915 1.00 0.00 N ATOM 950 CA SER A 495 -9.158 10.260 -11.852 1.00 0.00 C ATOM 951 C SER A 495 -8.831 8.882 -11.251 1.00 0.00 C ATOM 952 O SER A 495 -9.687 8.275 -10.613 1.00 0.00 O ATOM 953 CB SER A 495 -9.745 10.073 -13.260 1.00 0.00 C ATOM 954 OG SER A 495 -9.999 11.327 -13.885 1.00 0.00 O ATOM 0 H SER A 495 -7.813 11.506 -12.855 1.00 0.00 H new ATOM 0 HA SER A 495 -9.883 10.736 -11.191 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.053 9.493 -13.871 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.671 9.501 -13.197 1.00 0.00 H new ATOM 0 HG SER A 495 -10.370 11.177 -14.780 1.00 0.00 H new ATOM 960 N SER A 496 -7.587 8.404 -11.364 1.00 0.00 N ATOM 961 CA SER A 496 -7.143 7.160 -10.721 1.00 0.00 C ATOM 962 C SER A 496 -6.958 7.328 -9.203 1.00 0.00 C ATOM 963 O SER A 496 -7.198 6.385 -8.449 1.00 0.00 O ATOM 964 CB SER A 496 -5.817 6.692 -11.332 1.00 0.00 C ATOM 965 OG SER A 496 -5.870 6.598 -12.750 1.00 0.00 O ATOM 0 H SER A 496 -6.858 8.869 -11.905 1.00 0.00 H new ATOM 0 HA SER A 496 -7.922 6.417 -10.893 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.026 7.385 -11.047 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.553 5.719 -10.917 1.00 0.00 H new ATOM 0 HG SER A 496 -6.360 5.789 -13.006 1.00 0.00 H new ATOM 971 N VAL A 497 -6.604 8.532 -8.735 1.00 0.00 N ATOM 972 CA VAL A 497 -6.527 8.844 -7.298 1.00 0.00 C ATOM 973 C VAL A 497 -7.941 8.949 -6.719 1.00 0.00 C ATOM 974 O VAL A 497 -8.195 8.444 -5.630 1.00 0.00 O ATOM 975 CB VAL A 497 -5.717 10.132 -7.007 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.640 10.421 -5.496 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.291 10.017 -7.570 1.00 0.00 C ATOM 0 H VAL A 497 -6.363 9.318 -9.339 1.00 0.00 H new ATOM 0 HA VAL A 497 -5.991 8.029 -6.812 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.238 10.955 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.065 11.331 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.647 10.550 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.154 9.587 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.740 10.932 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.784 9.171 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.337 9.866 -8.649 1.00 0.00 H new ATOM 987 N GLN A 498 -8.889 9.525 -7.466 1.00 0.00 N ATOM 988 CA GLN A 498 -10.292 9.562 -7.052 1.00 0.00 C ATOM 989 C GLN A 498 -10.934 8.165 -7.074 1.00 0.00 C ATOM 990 O GLN A 498 -11.694 7.842 -6.164 1.00 0.00 O ATOM 991 CB GLN A 498 -11.055 10.537 -7.963 1.00 0.00 C ATOM 992 CG GLN A 498 -12.476 10.844 -7.459 1.00 0.00 C ATOM 993 CD GLN A 498 -12.496 11.513 -6.082 1.00 0.00 C ATOM 994 OE1 GLN A 498 -11.707 12.398 -5.780 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.388 11.124 -5.195 1.00 0.00 N ATOM 0 H GLN A 498 -8.707 9.973 -8.364 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.344 9.909 -6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.494 11.468 -8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.114 10.117 -8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -12.977 11.492 -8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.047 9.916 -7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -14.053 10.387 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.414 11.559 -4.273 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.597 7.312 -8.048 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.037 5.912 -8.078 1.00 0.00 C ATOM 1006 C ALA A 499 -10.500 5.106 -6.883 1.00 0.00 C ATOM 1007 O ALA A 499 -11.228 4.280 -6.327 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.603 5.270 -9.400 1.00 0.00 C ATOM 0 H ALA A 499 -10.010 7.574 -8.840 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.124 5.899 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.929 4.230 -9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.054 5.811 -10.232 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.517 5.312 -9.486 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.260 5.378 -6.455 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.696 4.829 -5.224 1.00 0.00 C ATOM 1016 C LEU A 500 -9.476 5.323 -3.997 1.00 0.00 C ATOM 1017 O LEU A 500 -9.897 4.507 -3.183 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.188 5.148 -5.178 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.476 4.823 -3.848 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.646 3.364 -3.419 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.979 5.117 -4.005 1.00 0.00 C ATOM 0 H LEU A 500 -8.619 5.990 -6.960 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.797 3.744 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.694 4.596 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.053 6.208 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.931 5.444 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.123 3.198 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.706 3.144 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.231 2.709 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.464 4.891 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.569 4.500 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.839 6.169 -4.251 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.737 6.631 -3.885 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.543 7.223 -2.795 1.00 0.00 C ATOM 1035 C ILE A 501 -11.939 6.581 -2.717 1.00 0.00 C ATOM 1036 O ILE A 501 -12.395 6.233 -1.628 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.620 8.765 -2.955 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.233 9.406 -2.718 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.647 9.379 -1.982 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.101 10.849 -3.219 1.00 0.00 C ATOM 0 H ILE A 501 -9.393 7.321 -4.553 1.00 0.00 H new ATOM 0 HA ILE A 501 -10.048 7.012 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.943 8.973 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -9.016 9.385 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.476 8.794 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.677 10.460 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.633 8.960 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.358 9.151 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.096 11.216 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.283 10.879 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.830 11.479 -2.710 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.593 6.362 -3.859 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.919 5.735 -3.958 1.00 0.00 C ATOM 1054 C ASP A 502 -13.929 4.239 -3.570 1.00 0.00 C ATOM 1055 O ASP A 502 -14.985 3.700 -3.232 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.451 5.948 -5.386 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.909 5.487 -5.553 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.812 6.125 -4.961 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.152 4.515 -6.309 1.00 0.00 O ATOM 0 H ASP A 502 -12.207 6.622 -4.767 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.574 6.215 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.377 7.005 -5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.820 5.404 -6.089 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.763 3.579 -3.564 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.585 2.189 -3.137 1.00 0.00 C ATOM 1066 C ALA A 503 -12.030 2.051 -1.704 1.00 0.00 C ATOM 1067 O ALA A 503 -12.081 0.958 -1.133 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.671 1.499 -4.156 1.00 0.00 C ATOM 0 H ALA A 503 -11.891 4.014 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.563 1.709 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.520 0.460 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.133 1.535 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.709 2.011 -4.187 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.518 3.134 -1.109 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.932 3.124 0.230 1.00 0.00 C ATOM 1076 C CYS A 504 -11.979 3.007 1.353 1.00 0.00 C ATOM 1077 O CYS A 504 -13.073 3.577 1.290 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.099 4.397 0.442 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.489 4.270 -0.383 1.00 0.00 S ATOM 0 H CYS A 504 -11.500 4.053 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.302 2.236 0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.642 5.259 0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.952 4.565 1.509 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.653 4.351 -1.670 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.590 2.293 2.410 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.251 2.285 3.714 1.00 0.00 C ATOM 1087 C LEU A 505 -11.776 3.526 4.490 1.00 0.00 C ATOM 1088 O LEU A 505 -10.855 4.220 4.055 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.898 0.984 4.466 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.397 -0.303 3.784 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.832 -1.526 4.520 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.931 -0.386 3.743 1.00 0.00 C ATOM 0 H LEU A 505 -10.774 1.681 2.379 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.335 2.319 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.815 0.925 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.318 1.034 5.470 1.00 0.00 H new ATOM 0 HG LEU A 505 -12.045 -0.286 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.186 -2.437 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.743 -1.498 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.166 -1.513 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.232 -1.312 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.324 -0.370 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.327 0.464 3.188 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.370 3.794 5.650 1.00 0.00 N ATOM 1105 CA GLU A 506 -12.084 4.992 6.448 1.00 0.00 C ATOM 1106 C GLU A 506 -12.111 4.682 7.952 1.00 0.00 C ATOM 1107 O GLU A 506 -13.023 4.007 8.437 1.00 0.00 O ATOM 1108 CB GLU A 506 -13.078 6.106 6.075 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.705 7.466 6.679 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.754 8.531 6.323 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.772 8.646 7.046 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.568 9.264 5.322 1.00 0.00 O ATOM 0 H GLU A 506 -13.070 3.183 6.070 1.00 0.00 H new ATOM 0 HA GLU A 506 -11.075 5.338 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -13.124 6.196 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -14.075 5.825 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.624 7.377 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.727 7.776 6.311 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.677 7.056 5.380 1.00 0.00 N ATOM 1176 CA LEU A 511 -8.149 6.076 4.395 1.00 0.00 C ATOM 1177 C LEU A 511 -7.298 4.800 4.398 1.00 0.00 C ATOM 1178 O LEU A 511 -6.106 4.835 4.709 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.153 6.718 2.993 1.00 0.00 C ATOM 1180 CG LEU A 511 -9.132 7.893 2.791 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -9.002 8.409 1.349 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.593 7.501 3.064 1.00 0.00 C ATOM 0 HA LEU A 511 -9.163 5.783 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -7.145 7.069 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.388 5.945 2.262 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.868 8.670 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.691 9.240 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.981 8.747 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.243 7.606 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.237 8.366 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.888 6.701 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.691 7.158 4.094 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.907 3.674 4.014 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.258 2.356 3.960 1.00 0.00 C ATOM 1196 C TYR A 512 -7.712 1.506 2.757 1.00 0.00 C ATOM 1197 O TYR A 512 -8.861 1.581 2.322 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.473 1.578 5.276 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.916 2.244 6.522 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.654 3.248 7.182 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.652 1.867 7.019 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -7.112 3.908 8.300 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -5.111 2.512 8.147 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.834 3.545 8.782 1.00 0.00 C ATOM 1205 OH TYR A 512 -5.297 4.190 9.855 1.00 0.00 O ATOM 0 H TYR A 512 -8.885 3.650 3.726 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.193 2.549 3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.543 1.421 5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.017 0.593 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.640 3.511 6.828 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.096 1.080 6.532 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.672 4.691 8.789 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -4.144 2.217 8.526 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.708 3.578 10.344 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.816 0.653 2.257 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.059 -0.363 1.223 1.00 0.00 C ATOM 1217 C LEU A 513 -6.424 -1.696 1.673 1.00 0.00 C ATOM 1218 O LEU A 513 -5.961 -1.796 2.810 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.484 0.152 -0.118 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.241 -0.360 -1.360 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.516 0.465 -1.586 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.350 -0.281 -2.602 1.00 0.00 C ATOM 0 H LEU A 513 -5.848 0.650 2.578 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.124 -0.543 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.504 1.242 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.439 -0.147 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.515 -1.401 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -9.040 0.092 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.165 0.379 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.250 1.511 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.901 -0.646 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.052 0.754 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.461 -0.894 -2.452 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.355 -2.708 0.802 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.797 -4.032 1.099 1.00 0.00 C ATOM 1236 C CYS A 514 -4.980 -4.608 -0.076 1.00 0.00 C ATOM 1237 O CYS A 514 -5.323 -4.379 -1.239 1.00 0.00 O ATOM 1238 CB CYS A 514 -6.937 -4.960 1.557 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.218 -5.099 0.270 1.00 0.00 S ATOM 0 H CYS A 514 -6.695 -2.627 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.076 -3.942 1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -6.537 -5.948 1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -7.379 -4.574 2.476 1.00 0.00 H new ATOM 0 HG CYS A 514 -9.164 -5.889 0.683 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.901 -5.336 0.235 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.858 -5.804 -0.708 1.00 0.00 C ATOM 1247 C VAL A 515 -2.265 -7.159 -0.274 1.00 0.00 C ATOM 1248 O VAL A 515 -2.530 -7.625 0.832 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.730 -4.752 -0.883 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.258 -3.396 -1.382 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -0.922 -4.526 0.406 1.00 0.00 C ATOM 0 H VAL A 515 -3.715 -5.633 1.193 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.346 -5.941 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.071 -5.176 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.427 -2.698 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.745 -3.528 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -2.977 -2.999 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.148 -3.781 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.587 -4.174 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.458 -5.463 0.714 1.00 0.00 H new ATOM 1261 N SER A 516 -1.442 -7.789 -1.121 1.00 0.00 N ATOM 1262 CA SER A 516 -0.905 -9.149 -0.913 1.00 0.00 C ATOM 1263 C SER A 516 0.509 -9.331 -1.504 1.00 0.00 C ATOM 1264 O SER A 516 0.889 -8.664 -2.467 1.00 0.00 O ATOM 1265 CB SER A 516 -1.847 -10.187 -1.547 1.00 0.00 C ATOM 1266 OG SER A 516 -3.062 -10.328 -0.820 1.00 0.00 O ATOM 0 H SER A 516 -1.121 -7.363 -1.990 1.00 0.00 H new ATOM 0 HA SER A 516 -0.836 -9.297 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 516 -2.072 -9.892 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.341 -11.151 -1.596 1.00 0.00 H new ATOM 0 HG SER A 516 -3.630 -10.995 -1.259 1.00 0.00 H new ATOM 1272 N SER A 517 1.287 -10.260 -0.945 1.00 0.00 N ATOM 1273 CA SER A 517 2.701 -10.524 -1.265 1.00 0.00 C ATOM 1274 C SER A 517 3.015 -12.044 -1.265 1.00 0.00 C ATOM 1275 O SER A 517 2.095 -12.855 -1.077 1.00 0.00 O ATOM 1276 CB SER A 517 3.550 -9.783 -0.218 1.00 0.00 C ATOM 1277 OG SER A 517 3.605 -10.514 1.000 1.00 0.00 O ATOM 0 H SER A 517 0.934 -10.883 -0.219 1.00 0.00 H new ATOM 0 HA SER A 517 2.931 -10.168 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.559 -9.633 -0.602 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.128 -8.795 -0.035 1.00 0.00 H new ATOM 0 HG SER A 517 4.538 -10.603 1.286 1.00 0.00 H new ATOM 1283 N PRO A 518 4.289 -12.477 -1.416 1.00 0.00 N ATOM 1284 CA PRO A 518 4.687 -13.875 -1.256 1.00 0.00 C ATOM 1285 C PRO A 518 4.614 -14.375 0.198 1.00 0.00 C ATOM 1286 O PRO A 518 4.742 -15.580 0.423 1.00 0.00 O ATOM 1287 CB PRO A 518 6.127 -13.971 -1.785 1.00 0.00 C ATOM 1288 CG PRO A 518 6.325 -12.688 -2.589 1.00 0.00 C ATOM 1289 CD PRO A 518 5.450 -11.704 -1.822 1.00 0.00 C ATOM 0 HA PRO A 518 3.995 -14.513 -1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.846 -14.043 -0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 518 6.263 -14.855 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 518 7.369 -12.376 -2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 518 6.004 -12.800 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.976 -11.297 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 518 5.163 -10.859 -2.448 1.00 0.00 H new ATOM 1297 N THR A 519 4.426 -13.473 1.179 1.00 0.00 N ATOM 1298 CA THR A 519 4.505 -13.762 2.621 1.00 0.00 C ATOM 1299 C THR A 519 3.218 -13.451 3.378 1.00 0.00 C ATOM 1300 O THR A 519 2.901 -14.176 4.320 1.00 0.00 O ATOM 1301 CB THR A 519 5.674 -13.000 3.261 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.583 -11.625 2.949 1.00 0.00 O ATOM 1303 CG2 THR A 519 7.025 -13.522 2.771 1.00 0.00 C ATOM 0 H THR A 519 4.209 -12.496 0.984 1.00 0.00 H new ATOM 0 HA THR A 519 4.668 -14.837 2.700 1.00 0.00 H new ATOM 0 HB THR A 519 5.609 -13.152 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.331 -11.146 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.827 -12.958 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 519 7.122 -14.577 3.027 1.00 0.00 H new ATOM 0 HG23 THR A 519 7.090 -13.404 1.689 1.00 0.00 H new ATOM 1311 N ILE A 520 2.451 -12.438 2.963 1.00 0.00 N ATOM 1312 CA ILE A 520 1.214 -11.988 3.627 1.00 0.00 C ATOM 1313 C ILE A 520 0.106 -11.788 2.590 1.00 0.00 C ATOM 1314 O ILE A 520 0.327 -11.224 1.518 1.00 0.00 O ATOM 1315 CB ILE A 520 1.435 -10.668 4.416 1.00 0.00 C ATOM 1316 CG1 ILE A 520 2.722 -10.586 5.272 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.208 -10.372 5.300 1.00 0.00 C ATOM 1318 CD1 ILE A 520 2.767 -11.480 6.517 1.00 0.00 C ATOM 0 H ILE A 520 2.676 -11.890 2.133 1.00 0.00 H new ATOM 0 HA ILE A 520 0.919 -12.761 4.337 1.00 0.00 H new ATOM 0 HB ILE A 520 1.569 -9.912 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.572 -10.839 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 520 2.857 -9.552 5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 520 0.371 -9.445 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.677 -10.271 4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.061 -11.191 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 520 3.715 -11.336 7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 520 1.946 -11.217 7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.671 -12.524 6.219 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.104 -12.225 2.926 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.292 -12.143 2.075 1.00 0.00 C ATOM 1332 C LYS A 521 -3.392 -11.307 2.754 1.00 0.00 C ATOM 1333 O LYS A 521 -3.644 -11.470 3.950 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.768 -13.578 1.780 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.761 -14.474 1.033 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.341 -13.929 -0.343 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.362 -14.863 -1.071 1.00 0.00 C ATOM 1338 NZ LYS A 521 -0.996 -16.132 -1.520 1.00 0.00 N ATOM 0 H LYS A 521 -1.293 -12.661 3.828 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.053 -11.641 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.023 -14.058 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.684 -13.524 1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -0.871 -14.597 1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.198 -15.464 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.228 -13.786 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -0.879 -12.950 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 521 0.052 -14.344 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 521 0.472 -15.094 -0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -0.297 -16.706 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -1.338 -16.661 -0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 -1.796 -15.917 -2.148 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.025 -10.405 1.995 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.137 -9.524 2.450 1.00 0.00 C ATOM 1354 C ASP A 522 -4.701 -8.520 3.547 1.00 0.00 C ATOM 1355 O ASP A 522 -5.505 -8.073 4.365 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.356 -10.389 2.849 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.664 -9.588 2.981 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.000 -8.822 2.046 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.382 -9.770 3.994 1.00 0.00 O ATOM 0 H ASP A 522 -3.780 -10.254 1.017 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.440 -8.890 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.494 -11.173 2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -6.145 -10.883 3.797 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.415 -8.143 3.568 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.868 -7.107 4.455 1.00 0.00 C ATOM 1366 C LYS A 523 -3.588 -5.757 4.220 1.00 0.00 C ATOM 1367 O LYS A 523 -3.580 -5.293 3.071 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.356 -6.969 4.179 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.644 -5.925 5.058 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.501 -6.337 6.532 1.00 0.00 C ATOM 1371 CE LYS A 523 0.289 -5.298 7.343 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.479 -4.047 7.587 1.00 0.00 N ATOM 0 H LYS A 523 -2.712 -8.558 2.957 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.027 -7.393 5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.881 -7.938 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.213 -6.703 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.348 -5.736 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.195 -4.986 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.491 -6.464 6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.001 -7.303 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 523 0.577 -5.734 8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.210 -5.055 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.175 -3.239 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -1.164 -3.905 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -0.986 -4.122 8.492 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.159 -5.099 5.251 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.685 -3.745 5.134 1.00 0.00 C ATOM 1388 C PRO A 524 -3.530 -2.737 5.146 1.00 0.00 C ATOM 1389 O PRO A 524 -2.519 -2.950 5.816 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.646 -3.530 6.314 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.639 -4.859 7.079 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.368 -5.563 6.612 1.00 0.00 C ATOM 0 HA PRO A 524 -5.221 -3.601 4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.314 -2.708 6.948 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.648 -3.280 5.966 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -5.629 -4.696 8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -6.526 -5.451 6.854 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.520 -5.311 7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.482 -6.647 6.646 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.685 -1.637 4.411 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.652 -0.609 4.194 1.00 0.00 C ATOM 1402 C VAL A 525 -3.257 0.791 4.247 1.00 0.00 C ATOM 1403 O VAL A 525 -4.366 1.007 3.766 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.895 -0.809 2.860 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.906 -1.973 2.985 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.805 -1.045 1.638 1.00 0.00 C ATOM 0 H VAL A 525 -4.560 -1.424 3.932 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.929 -0.716 5.003 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.374 0.131 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.378 -2.105 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.187 -1.756 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.448 -2.887 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.191 -1.175 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.405 -1.940 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.463 -0.187 1.503 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.537 1.733 4.855 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.961 3.121 5.042 1.00 0.00 C ATOM 1418 C GLN A 526 -2.665 3.931 3.775 1.00 0.00 C ATOM 1419 O GLN A 526 -1.559 3.860 3.246 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.221 3.699 6.259 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.807 5.043 6.715 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.078 5.579 7.944 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.103 6.313 7.844 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.517 5.259 9.144 1.00 0.00 N ATOM 0 H GLN A 526 -1.613 1.546 5.244 1.00 0.00 H new ATOM 0 HA GLN A 526 -4.035 3.170 5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.269 2.986 7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.167 3.830 6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.736 5.767 5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.866 4.922 6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -3.328 4.649 9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -2.046 5.622 9.973 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.639 4.709 3.298 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.573 5.458 2.033 1.00 0.00 C ATOM 1435 C ILE A 527 -3.602 6.962 2.333 1.00 0.00 C ATOM 1436 O ILE A 527 -4.453 7.435 3.092 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.745 5.039 1.106 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.893 3.510 0.929 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.629 5.699 -0.278 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.677 2.789 0.335 1.00 0.00 C ATOM 0 H ILE A 527 -4.522 4.842 3.792 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.643 5.229 1.513 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.642 5.392 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.114 3.070 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.754 3.318 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.465 5.384 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.647 6.783 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.692 5.398 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.889 1.723 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.463 3.192 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.813 2.939 0.982 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.676 7.716 1.733 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.468 9.152 1.963 1.00 0.00 C ATOM 1454 C ARG A 528 -2.268 9.887 0.621 1.00 0.00 C ATOM 1455 O ARG A 528 -1.126 9.994 0.159 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.242 9.346 2.877 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.441 8.950 4.347 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.170 9.303 5.135 1.00 0.00 C ATOM 1459 NE ARG A 528 -0.198 8.762 6.506 1.00 0.00 N ATOM 1460 CZ ARG A 528 0.042 9.415 7.636 1.00 0.00 C ATOM 1461 NH1 ARG A 528 0.176 10.721 7.691 1.00 0.00 N ATOM 1462 NH2 ARG A 528 0.102 8.730 8.753 1.00 0.00 N ATOM 0 H ARG A 528 -2.026 7.330 1.048 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.348 9.573 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.414 8.765 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -0.945 10.394 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.301 9.473 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -1.648 7.883 4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 528 0.702 8.913 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.059 10.387 5.176 1.00 0.00 H new ATOM 0 HE ARG A 528 -0.428 7.772 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 528 0.096 11.278 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 528 0.360 11.178 8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -0.034 7.719 8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 528 0.285 9.208 9.635 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.345 10.384 -0.023 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.253 11.224 -1.216 1.00 0.00 C ATOM 1478 C PRO A 529 -2.445 12.495 -0.933 1.00 0.00 C ATOM 1479 O PRO A 529 -2.616 13.121 0.115 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.700 11.538 -1.622 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.498 10.387 -1.013 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.743 10.114 0.287 1.00 0.00 C ATOM 0 HA PRO A 529 -2.727 10.719 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.026 12.503 -1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.814 11.576 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.536 10.665 -0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.513 9.514 -1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.099 10.756 1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.882 9.084 0.615 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.552 12.868 -1.853 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.627 13.987 -1.659 1.00 0.00 C ATOM 1492 C TRP A 530 -1.336 15.353 -1.670 1.00 0.00 C ATOM 1493 O TRP A 530 -2.166 15.639 -2.537 1.00 0.00 O ATOM 1494 CB TRP A 530 0.478 13.925 -2.715 1.00 0.00 C ATOM 1495 CG TRP A 530 1.577 14.924 -2.533 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.653 16.133 -3.135 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.764 14.827 -1.685 1.00 0.00 C ATOM 1498 NE1 TRP A 530 2.813 16.774 -2.745 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.537 16.016 -1.852 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.272 13.848 -0.802 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.755 16.218 -1.187 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.492 14.044 -0.126 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.234 15.223 -0.319 1.00 0.00 C ATOM 0 H TRP A 530 -1.450 12.402 -2.755 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.185 13.888 -0.668 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.911 12.925 -2.709 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.031 14.073 -3.698 1.00 0.00 H new ATOM 0 HD1 TRP A 530 0.919 16.536 -3.817 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.098 17.695 -3.078 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.716 12.936 -0.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.318 17.127 -1.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.861 13.283 0.546 1.00 0.00 H new ATOM 0 HH2 TRP A 530 6.171 15.363 0.200 1.00 0.00 H new