USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 Single : A 455 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 462 TYR OH : rot 130:sc= -1 USER MOD Single : A 464 THR OG1 : rot 32:sc= -0.967 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 169:sc= -4.57! (180deg=-5.28!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 470 THR OG1 : rot 180:sc= -0.0646 USER MOD Single : A 471 LYS NZ :NH3+ -104:sc= -0.0169 (180deg=-0.491) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.25) USER MOD Single : A 479 THR OG1 : rot 180:sc= -0.03 USER MOD Single : A 480 LYS NZ :NH3+ -138:sc= -1.09 (180deg=-3.49!) USER MOD Single : A 481 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0311) USER MOD Single : A 482 THR OG1 : rot 54:sc= -2.2 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.16) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= 0.0624 X(o=0.062,f=0) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.948 X(o=-0.95,f=-1.2!) USER MOD Single : A 505 LYS NZ :NH3+ -107:sc= -0.329 (180deg=-1.28!) USER MOD Single : A 506 MET CE :methyl -167:sc= -0.0283 (180deg=-0.339) USER MOD Single : A 508 ASN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -165:sc= -0.0847 (180deg=-0.476) USER MOD Single : A 512 HIS : no HE2:sc= -5.03 K(o=-5,f=-6.8!) USER MOD Single : A 514 SER OG : rot 180:sc= -0.018 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.410 0.169 2.495 1.00 0.00 N ATOM 46 CA VAL A 454 -9.023 -0.250 2.617 1.00 0.00 C ATOM 47 C VAL A 454 -8.633 -0.445 4.078 1.00 0.00 C ATOM 48 O VAL A 454 -8.928 0.396 4.928 1.00 0.00 O ATOM 49 CB VAL A 454 -8.077 0.781 1.977 1.00 0.00 C ATOM 50 CG1 VAL A 454 -8.095 0.655 0.462 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.448 2.193 2.408 1.00 0.00 C ATOM 0 HA VAL A 454 -8.928 -1.201 2.092 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.064 0.578 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.420 1.392 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -7.772 -0.346 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -9.106 0.828 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.766 2.906 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.469 2.412 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -8.374 2.274 3.493 1.00 0.00 H new ATOM 61 N THR A 455 -7.971 -1.561 4.364 1.00 0.00 N ATOM 62 CA THR A 455 -7.541 -1.869 5.724 1.00 0.00 C ATOM 63 C THR A 455 -6.030 -2.061 5.788 1.00 0.00 C ATOM 64 O THR A 455 -5.390 -2.375 4.784 1.00 0.00 O ATOM 65 CB THR A 455 -8.248 -3.126 6.232 1.00 0.00 C ATOM 66 OG1 THR A 455 -7.703 -4.287 5.628 1.00 0.00 O ATOM 67 CG2 THR A 455 -9.738 -3.125 5.962 1.00 0.00 C ATOM 0 H THR A 455 -7.720 -2.268 3.672 1.00 0.00 H new ATOM 0 HA THR A 455 -7.809 -1.026 6.362 1.00 0.00 H new ATOM 0 HB THR A 455 -8.090 -3.130 7.310 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.167 -5.081 5.967 1.00 0.00 H new ATOM 0 HG21 THR A 455 -10.178 -4.045 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 455 -10.197 -2.268 6.456 1.00 0.00 H new ATOM 0 HG23 THR A 455 -9.913 -3.061 4.888 1.00 0.00 H new ATOM 75 N GLU A 456 -5.464 -1.868 6.975 1.00 0.00 N ATOM 76 CA GLU A 456 -4.028 -2.019 7.172 1.00 0.00 C ATOM 77 C GLU A 456 -3.594 -3.463 6.944 1.00 0.00 C ATOM 78 O GLU A 456 -2.496 -3.723 6.454 1.00 0.00 O ATOM 79 CB GLU A 456 -3.638 -1.573 8.583 1.00 0.00 C ATOM 80 CG GLU A 456 -2.141 -1.610 8.841 1.00 0.00 C ATOM 81 CD GLU A 456 -1.786 -1.266 10.275 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.713 -1.038 11.080 1.00 0.00 O ATOM 83 OE2 GLU A 456 -0.578 -1.223 10.592 1.00 0.00 O ATOM 0 H GLU A 456 -5.979 -1.606 7.816 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.518 -1.388 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -4.002 -0.559 8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -4.139 -2.213 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -1.760 -2.604 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.643 -0.910 8.170 1.00 0.00 H new ATOM 90 N ASP A 457 -4.463 -4.401 7.307 1.00 0.00 N ATOM 91 CA ASP A 457 -4.169 -5.820 7.143 1.00 0.00 C ATOM 92 C ASP A 457 -4.128 -6.202 5.666 1.00 0.00 C ATOM 93 O ASP A 457 -3.291 -7.002 5.246 1.00 0.00 O ATOM 94 CB ASP A 457 -5.216 -6.666 7.870 1.00 0.00 C ATOM 95 CG ASP A 457 -5.177 -6.469 9.373 1.00 0.00 C ATOM 96 OD1 ASP A 457 -4.162 -5.944 9.877 1.00 0.00 O ATOM 97 OD2 ASP A 457 -6.162 -6.840 10.046 1.00 0.00 O ATOM 0 H ASP A 457 -5.376 -4.204 7.717 1.00 0.00 H new ATOM 0 HA ASP A 457 -3.188 -6.014 7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.208 -6.409 7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -5.052 -7.719 7.640 1.00 0.00 H new ATOM 102 N ALA A 458 -5.035 -5.627 4.885 1.00 0.00 N ATOM 103 CA ALA A 458 -5.102 -5.909 3.456 1.00 0.00 C ATOM 104 C ALA A 458 -3.904 -5.321 2.720 1.00 0.00 C ATOM 105 O ALA A 458 -3.245 -6.008 1.938 1.00 0.00 O ATOM 106 CB ALA A 458 -6.399 -5.368 2.872 1.00 0.00 C ATOM 0 H ALA A 458 -5.734 -4.963 5.217 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.079 -6.991 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.436 -5.585 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -7.247 -5.841 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.445 -4.290 3.024 1.00 0.00 H new ATOM 112 N VAL A 459 -3.627 -4.046 2.972 1.00 0.00 N ATOM 113 CA VAL A 459 -2.508 -3.365 2.331 1.00 0.00 C ATOM 114 C VAL A 459 -1.186 -4.063 2.643 1.00 0.00 C ATOM 115 O VAL A 459 -0.328 -4.208 1.772 1.00 0.00 O ATOM 116 CB VAL A 459 -2.420 -1.891 2.771 1.00 0.00 C ATOM 117 CG1 VAL A 459 -2.169 -1.789 4.268 1.00 0.00 C ATOM 118 CG2 VAL A 459 -1.336 -1.162 1.990 1.00 0.00 C ATOM 0 H VAL A 459 -4.162 -3.463 3.616 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.688 -3.403 1.257 1.00 0.00 H new ATOM 0 HB VAL A 459 -3.375 -1.413 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -2.110 -0.739 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -2.986 -2.269 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -1.231 -2.286 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -1.290 -0.123 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -0.374 -1.642 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -1.567 -1.199 0.925 1.00 0.00 H new ATOM 128 N ARG A 460 -1.031 -4.494 3.891 1.00 0.00 N ATOM 129 CA ARG A 460 0.185 -5.176 4.318 1.00 0.00 C ATOM 130 C ARG A 460 0.395 -6.464 3.528 1.00 0.00 C ATOM 131 O ARG A 460 1.526 -6.843 3.228 1.00 0.00 O ATOM 132 CB ARG A 460 0.120 -5.488 5.815 1.00 0.00 C ATOM 133 CG ARG A 460 1.398 -6.101 6.364 1.00 0.00 C ATOM 134 CD ARG A 460 1.227 -6.549 7.806 1.00 0.00 C ATOM 135 NE ARG A 460 0.888 -5.436 8.689 1.00 0.00 N ATOM 136 CZ ARG A 460 0.345 -5.586 9.896 1.00 0.00 C ATOM 137 NH1 ARG A 460 0.078 -6.798 10.365 1.00 0.00 N ATOM 138 NH2 ARG A 460 0.068 -4.520 10.634 1.00 0.00 N ATOM 0 H ARG A 460 -1.732 -4.383 4.624 1.00 0.00 H new ATOM 0 HA ARG A 460 1.029 -4.513 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -0.096 -4.569 6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.709 -6.171 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.687 -6.953 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.207 -5.374 6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 460 0.444 -7.306 7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 460 2.148 -7.018 8.151 1.00 0.00 H new ATOM 0 HE ARG A 460 1.078 -4.489 8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.289 -7.621 9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.338 -6.907 11.290 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.271 -3.586 10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -0.348 -4.634 11.558 1.00 0.00 H new ATOM 152 N ARG A 461 -0.705 -7.134 3.196 1.00 0.00 N ATOM 153 CA ARG A 461 -0.643 -8.383 2.443 1.00 0.00 C ATOM 154 C ARG A 461 0.085 -8.188 1.116 1.00 0.00 C ATOM 155 O ARG A 461 0.888 -9.027 0.709 1.00 0.00 O ATOM 156 CB ARG A 461 -2.052 -8.920 2.191 1.00 0.00 C ATOM 157 CG ARG A 461 -2.072 -10.282 1.517 1.00 0.00 C ATOM 158 CD ARG A 461 -3.493 -10.742 1.233 1.00 0.00 C ATOM 159 NE ARG A 461 -3.531 -12.102 0.699 1.00 0.00 N ATOM 160 CZ ARG A 461 -3.268 -13.189 1.421 1.00 0.00 C ATOM 161 NH1 ARG A 461 -2.947 -13.081 2.704 1.00 0.00 N ATOM 162 NH2 ARG A 461 -3.326 -14.388 0.858 1.00 0.00 N ATOM 0 H ARG A 461 -1.650 -6.833 3.436 1.00 0.00 H new ATOM 0 HA ARG A 461 -0.085 -9.107 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.582 -8.986 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.597 -8.209 1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.510 -10.236 0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -1.573 -11.012 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -4.079 -10.696 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -3.960 -10.060 0.522 1.00 0.00 H new ATOM 0 HE ARG A 461 -3.773 -12.225 -0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -2.901 -12.161 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -2.747 -13.918 3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -3.572 -14.477 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -3.125 -15.221 1.411 1.00 0.00 H new ATOM 176 N TYR A 462 -0.204 -7.078 0.445 1.00 0.00 N ATOM 177 CA TYR A 462 0.422 -6.776 -0.838 1.00 0.00 C ATOM 178 C TYR A 462 1.910 -6.488 -0.665 1.00 0.00 C ATOM 179 O TYR A 462 2.742 -6.989 -1.424 1.00 0.00 O ATOM 180 CB TYR A 462 -0.268 -5.581 -1.498 1.00 0.00 C ATOM 181 CG TYR A 462 -1.735 -5.808 -1.782 1.00 0.00 C ATOM 182 CD1 TYR A 462 -2.147 -6.830 -2.629 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.708 -5.002 -1.205 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.487 -7.042 -2.892 1.00 0.00 C ATOM 185 CE2 TYR A 462 -4.050 -5.208 -1.463 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.434 -6.228 -2.306 1.00 0.00 C ATOM 187 OH TYR A 462 -5.769 -6.436 -2.565 1.00 0.00 O ATOM 0 H TYR A 462 -0.867 -6.373 0.768 1.00 0.00 H new ATOM 0 HA TYR A 462 0.313 -7.650 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -0.163 -4.709 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.242 -5.349 -2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -1.408 -7.469 -3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.411 -4.201 -0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.791 -7.840 -3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.794 -4.573 -1.006 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.264 -6.473 -1.720 1.00 0.00 H new ATOM 197 N LEU A 463 2.239 -5.677 0.335 1.00 0.00 N ATOM 198 CA LEU A 463 3.628 -5.323 0.606 1.00 0.00 C ATOM 199 C LEU A 463 4.419 -6.537 1.080 1.00 0.00 C ATOM 200 O LEU A 463 5.602 -6.678 0.769 1.00 0.00 O ATOM 201 CB LEU A 463 3.696 -4.213 1.657 1.00 0.00 C ATOM 202 CG LEU A 463 3.266 -2.830 1.163 1.00 0.00 C ATOM 203 CD1 LEU A 463 2.698 -2.008 2.309 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.439 -2.109 0.516 1.00 0.00 C ATOM 0 H LEU A 463 1.564 -5.253 0.971 1.00 0.00 H new ATOM 0 HA LEU A 463 4.073 -4.965 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.066 -4.493 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 463 4.718 -4.148 2.030 1.00 0.00 H new ATOM 0 HG LEU A 463 2.485 -2.958 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.397 -1.028 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.831 -2.519 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 463 3.457 -1.887 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.116 -1.127 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.241 -1.992 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.801 -2.691 -0.331 1.00 0.00 H new ATOM 216 N THR A 464 3.759 -7.412 1.832 1.00 0.00 N ATOM 217 CA THR A 464 4.401 -8.613 2.347 1.00 0.00 C ATOM 218 C THR A 464 4.799 -9.549 1.210 1.00 0.00 C ATOM 219 O THR A 464 5.772 -10.295 1.320 1.00 0.00 O ATOM 220 CB THR A 464 3.463 -9.336 3.314 1.00 0.00 C ATOM 221 OG1 THR A 464 2.124 -9.272 2.858 1.00 0.00 O ATOM 222 CG2 THR A 464 3.498 -8.769 4.718 1.00 0.00 C ATOM 0 H THR A 464 2.779 -7.310 2.098 1.00 0.00 H new ATOM 0 HA THR A 464 5.305 -8.315 2.878 1.00 0.00 H new ATOM 0 HB THR A 464 3.820 -10.366 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.112 -9.263 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.810 -9.327 5.353 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.509 -8.851 5.118 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.201 -7.721 4.695 1.00 0.00 H new ATOM 230 N ARG A 465 4.041 -9.505 0.120 1.00 0.00 N ATOM 231 CA ARG A 465 4.317 -10.350 -1.037 1.00 0.00 C ATOM 232 C ARG A 465 5.585 -9.899 -1.750 1.00 0.00 C ATOM 233 O ARG A 465 6.579 -10.624 -1.792 1.00 0.00 O ATOM 234 CB ARG A 465 3.135 -10.323 -2.007 1.00 0.00 C ATOM 235 CG ARG A 465 3.258 -11.324 -3.145 1.00 0.00 C ATOM 236 CD ARG A 465 3.033 -12.748 -2.660 1.00 0.00 C ATOM 237 NE ARG A 465 1.626 -13.012 -2.372 1.00 0.00 N ATOM 238 CZ ARG A 465 1.200 -14.032 -1.632 1.00 0.00 C ATOM 239 NH1 ARG A 465 2.068 -14.886 -1.104 1.00 0.00 N ATOM 240 NH2 ARG A 465 -0.097 -14.200 -1.417 1.00 0.00 N ATOM 0 H ARG A 465 3.231 -8.894 0.013 1.00 0.00 H new ATOM 0 HA ARG A 465 4.465 -11.370 -0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.218 -10.525 -1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.041 -9.321 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.532 -11.084 -3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 465 4.247 -11.244 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 465 3.386 -13.449 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 465 3.626 -12.923 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 465 0.929 -12.377 -2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 465 3.068 -14.762 -1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 465 1.735 -15.666 -0.537 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -0.769 -13.547 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -0.423 -14.982 -0.849 1.00 0.00 H new ATOM 254 N LYS A 466 5.540 -8.697 -2.306 1.00 0.00 N ATOM 255 CA LYS A 466 6.683 -8.139 -3.020 1.00 0.00 C ATOM 256 C LYS A 466 6.753 -6.624 -2.834 1.00 0.00 C ATOM 257 O LYS A 466 5.724 -5.959 -2.712 1.00 0.00 O ATOM 258 CB LYS A 466 6.597 -8.479 -4.509 1.00 0.00 C ATOM 259 CG LYS A 466 5.217 -8.253 -5.106 1.00 0.00 C ATOM 260 CD LYS A 466 5.301 -7.875 -6.576 1.00 0.00 C ATOM 261 CE LYS A 466 3.968 -7.362 -7.095 1.00 0.00 C ATOM 262 NZ LYS A 466 3.959 -7.242 -8.579 1.00 0.00 N ATOM 0 H LYS A 466 4.723 -8.087 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 466 7.590 -8.581 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 466 7.323 -7.875 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 466 6.879 -9.522 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 466 4.619 -9.158 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 466 4.706 -7.464 -4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 466 6.065 -7.110 -6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 466 5.610 -8.742 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 466 3.172 -8.037 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 466 3.755 -6.390 -6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 3.033 -6.889 -8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 4.702 -6.578 -8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 4.136 -8.175 -9.004 1.00 0.00 H new ATOM 276 N PRO A 467 7.972 -6.058 -2.811 1.00 0.00 N ATOM 277 CA PRO A 467 8.166 -4.613 -2.640 1.00 0.00 C ATOM 278 C PRO A 467 7.415 -3.801 -3.689 1.00 0.00 C ATOM 279 O PRO A 467 7.479 -4.099 -4.882 1.00 0.00 O ATOM 280 CB PRO A 467 9.677 -4.428 -2.805 1.00 0.00 C ATOM 281 CG PRO A 467 10.264 -5.762 -2.493 1.00 0.00 C ATOM 282 CD PRO A 467 9.253 -6.774 -2.949 1.00 0.00 C ATOM 0 HA PRO A 467 7.785 -4.265 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.928 -4.113 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 467 10.057 -3.662 -2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 467 11.215 -5.900 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.462 -5.861 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.431 -7.085 -3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.279 -7.674 -2.335 1.00 0.00 H new ATOM 290 N MET A 468 6.704 -2.772 -3.238 1.00 0.00 N ATOM 291 CA MET A 468 5.941 -1.917 -4.141 1.00 0.00 C ATOM 292 C MET A 468 6.103 -0.447 -3.767 1.00 0.00 C ATOM 293 O MET A 468 6.528 -0.120 -2.659 1.00 0.00 O ATOM 294 CB MET A 468 4.461 -2.300 -4.113 1.00 0.00 C ATOM 295 CG MET A 468 4.193 -3.724 -4.574 1.00 0.00 C ATOM 296 SD MET A 468 2.441 -4.044 -4.856 1.00 0.00 S ATOM 297 CE MET A 468 1.752 -3.574 -3.272 1.00 0.00 C ATOM 0 H MET A 468 6.640 -2.510 -2.254 1.00 0.00 H new ATOM 0 HA MET A 468 6.328 -2.062 -5.150 1.00 0.00 H new ATOM 0 HB2 MET A 468 4.082 -2.178 -3.099 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.904 -1.611 -4.747 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.746 -3.914 -5.494 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.570 -4.421 -3.826 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.666 -3.528 -3.347 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.033 -4.311 -2.520 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.137 -2.596 -2.983 1.00 0.00 H new ATOM 307 N THR A 469 5.762 0.435 -4.700 1.00 0.00 N ATOM 308 CA THR A 469 5.866 1.871 -4.470 1.00 0.00 C ATOM 309 C THR A 469 4.536 2.445 -3.995 1.00 0.00 C ATOM 310 O THR A 469 3.519 1.749 -3.983 1.00 0.00 O ATOM 311 CB THR A 469 6.314 2.582 -5.748 1.00 0.00 C ATOM 312 OG1 THR A 469 5.265 2.611 -6.700 1.00 0.00 O ATOM 313 CG2 THR A 469 7.513 1.934 -6.406 1.00 0.00 C ATOM 0 H THR A 469 5.411 0.180 -5.623 1.00 0.00 H new ATOM 0 HA THR A 469 6.610 2.035 -3.691 1.00 0.00 H new ATOM 0 HB THR A 469 6.592 3.588 -5.435 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.571 3.071 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.778 2.488 -7.306 1.00 0.00 H new ATOM 0 HG22 THR A 469 8.356 1.941 -5.715 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.270 0.905 -6.672 1.00 0.00 H new ATOM 321 N THR A 470 4.548 3.715 -3.604 1.00 0.00 N ATOM 322 CA THR A 470 3.340 4.380 -3.128 1.00 0.00 C ATOM 323 C THR A 470 2.245 4.351 -4.191 1.00 0.00 C ATOM 324 O THR A 470 1.100 4.002 -3.907 1.00 0.00 O ATOM 325 CB THR A 470 3.650 5.826 -2.739 1.00 0.00 C ATOM 326 OG1 THR A 470 4.183 6.538 -3.842 1.00 0.00 O ATOM 327 CG2 THR A 470 4.637 5.941 -1.598 1.00 0.00 C ATOM 0 H THR A 470 5.380 4.304 -3.607 1.00 0.00 H new ATOM 0 HA THR A 470 2.982 3.842 -2.250 1.00 0.00 H new ATOM 0 HB THR A 470 2.698 6.249 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.373 7.461 -3.574 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.812 6.993 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 470 4.233 5.444 -0.716 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.578 5.469 -1.882 1.00 0.00 H new ATOM 335 N LYS A 471 2.608 4.721 -5.415 1.00 0.00 N ATOM 336 CA LYS A 471 1.658 4.738 -6.520 1.00 0.00 C ATOM 337 C LYS A 471 1.131 3.336 -6.810 1.00 0.00 C ATOM 338 O LYS A 471 -0.034 3.160 -7.167 1.00 0.00 O ATOM 339 CB LYS A 471 2.313 5.317 -7.776 1.00 0.00 C ATOM 340 CG LYS A 471 2.718 6.775 -7.632 1.00 0.00 C ATOM 341 CD LYS A 471 3.380 7.296 -8.897 1.00 0.00 C ATOM 342 CE LYS A 471 2.392 7.382 -10.049 1.00 0.00 C ATOM 343 NZ LYS A 471 2.486 6.201 -10.951 1.00 0.00 N ATOM 0 H LYS A 471 3.553 5.013 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 471 0.818 5.370 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.195 4.726 -8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.622 5.221 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.838 7.378 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.403 6.882 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.805 8.281 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.206 6.640 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 471 1.379 7.457 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 471 2.579 8.291 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 2.987 6.469 -11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 3.007 5.439 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 1.530 5.870 -11.190 1.00 0.00 H new ATOM 357 N ASP A 472 1.998 2.340 -6.653 1.00 0.00 N ATOM 358 CA ASP A 472 1.622 0.953 -6.899 1.00 0.00 C ATOM 359 C ASP A 472 0.466 0.532 -5.998 1.00 0.00 C ATOM 360 O ASP A 472 -0.410 -0.229 -6.409 1.00 0.00 O ATOM 361 CB ASP A 472 2.821 0.030 -6.674 1.00 0.00 C ATOM 362 CG ASP A 472 2.571 -1.381 -7.174 1.00 0.00 C ATOM 363 OD1 ASP A 472 1.511 -1.613 -7.794 1.00 0.00 O ATOM 364 OD2 ASP A 472 3.436 -2.253 -6.946 1.00 0.00 O ATOM 0 H ASP A 472 2.965 2.468 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 472 1.298 0.871 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.693 0.442 -7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 472 3.056 -0.001 -5.610 1.00 0.00 H new ATOM 369 N LEU A 473 0.471 1.031 -4.767 1.00 0.00 N ATOM 370 CA LEU A 473 -0.578 0.706 -3.806 1.00 0.00 C ATOM 371 C LEU A 473 -1.942 1.167 -4.310 1.00 0.00 C ATOM 372 O LEU A 473 -2.937 0.457 -4.173 1.00 0.00 O ATOM 373 CB LEU A 473 -0.275 1.353 -2.453 1.00 0.00 C ATOM 374 CG LEU A 473 1.084 0.993 -1.851 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.246 1.629 -0.479 1.00 0.00 C ATOM 376 CD2 LEU A 473 1.242 -0.518 -1.761 1.00 0.00 C ATOM 0 H LEU A 473 1.189 1.662 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.604 -0.377 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.330 2.436 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.055 1.066 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 473 1.864 1.383 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.219 1.362 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.176 2.713 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.459 1.269 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 473 2.214 -0.757 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 473 0.455 -0.929 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 473 1.170 -0.951 -2.759 1.00 0.00 H new ATOM 388 N LEU A 474 -1.979 2.360 -4.894 1.00 0.00 N ATOM 389 CA LEU A 474 -3.220 2.916 -5.419 1.00 0.00 C ATOM 390 C LEU A 474 -3.730 2.095 -6.596 1.00 0.00 C ATOM 391 O LEU A 474 -4.935 1.921 -6.772 1.00 0.00 O ATOM 392 CB LEU A 474 -3.011 4.368 -5.849 1.00 0.00 C ATOM 393 CG LEU A 474 -2.830 5.360 -4.700 1.00 0.00 C ATOM 394 CD1 LEU A 474 -1.462 5.190 -4.059 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.018 6.787 -5.193 1.00 0.00 C ATOM 0 H LEU A 474 -1.163 2.960 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.967 2.882 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.134 4.418 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -3.866 4.681 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 474 -3.589 5.155 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.351 5.904 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.366 4.177 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -0.686 5.367 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -2.886 7.480 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -2.282 7.004 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -4.021 6.901 -5.604 1.00 0.00 H new ATOM 407 N LYS A 475 -2.801 1.592 -7.402 1.00 0.00 N ATOM 408 CA LYS A 475 -3.151 0.787 -8.568 1.00 0.00 C ATOM 409 C LYS A 475 -3.984 -0.426 -8.165 1.00 0.00 C ATOM 410 O LYS A 475 -4.899 -0.831 -8.882 1.00 0.00 O ATOM 411 CB LYS A 475 -1.885 0.330 -9.295 1.00 0.00 C ATOM 412 CG LYS A 475 -2.163 -0.436 -10.578 1.00 0.00 C ATOM 413 CD LYS A 475 -2.642 0.489 -11.685 1.00 0.00 C ATOM 414 CE LYS A 475 -2.894 -0.272 -12.976 1.00 0.00 C ATOM 415 NZ LYS A 475 -4.328 -0.648 -13.128 1.00 0.00 N ATOM 0 H LYS A 475 -1.799 1.727 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 475 -3.746 1.406 -9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.275 1.203 -9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -1.299 -0.300 -8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -1.258 -0.951 -10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -2.916 -1.201 -10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -3.558 0.989 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.898 1.266 -11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -2.587 0.340 -13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -2.279 -1.172 -12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -4.459 -1.165 -14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -4.614 -1.253 -12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -4.913 0.212 -13.137 1.00 0.00 H new ATOM 429 N LYS A 476 -3.658 -1.004 -7.013 1.00 0.00 N ATOM 430 CA LYS A 476 -4.373 -2.173 -6.514 1.00 0.00 C ATOM 431 C LYS A 476 -5.755 -1.792 -5.992 1.00 0.00 C ATOM 432 O LYS A 476 -6.691 -2.590 -6.049 1.00 0.00 O ATOM 433 CB LYS A 476 -3.568 -2.853 -5.404 1.00 0.00 C ATOM 434 CG LYS A 476 -2.165 -3.256 -5.829 1.00 0.00 C ATOM 435 CD LYS A 476 -2.197 -4.300 -6.933 1.00 0.00 C ATOM 436 CE LYS A 476 -0.804 -4.828 -7.241 1.00 0.00 C ATOM 437 NZ LYS A 476 -0.836 -5.930 -8.240 1.00 0.00 N ATOM 0 H LYS A 476 -2.903 -0.682 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.499 -2.868 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.500 -2.179 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -4.106 -3.740 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.621 -2.377 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -1.622 -3.650 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -2.843 -5.126 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.630 -3.865 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -0.183 -4.015 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -0.340 -5.185 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 0.133 -6.262 -8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -1.408 -6.717 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -1.255 -5.583 -9.126 1.00 0.00 H new ATOM 451 N PHE A 477 -5.877 -0.572 -5.480 1.00 0.00 N ATOM 452 CA PHE A 477 -7.146 -0.091 -4.944 1.00 0.00 C ATOM 453 C PHE A 477 -7.837 0.852 -5.924 1.00 0.00 C ATOM 454 O PHE A 477 -8.559 1.762 -5.518 1.00 0.00 O ATOM 455 CB PHE A 477 -6.922 0.620 -3.608 1.00 0.00 C ATOM 456 CG PHE A 477 -6.344 -0.271 -2.545 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.103 -1.286 -1.986 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.042 -0.091 -2.105 1.00 0.00 C ATOM 459 CE1 PHE A 477 -6.574 -2.107 -1.007 1.00 0.00 C ATOM 460 CE2 PHE A 477 -4.508 -0.908 -1.126 1.00 0.00 C ATOM 461 CZ PHE A 477 -5.275 -1.917 -0.577 1.00 0.00 C ATOM 0 H PHE A 477 -5.113 0.102 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.792 -0.955 -4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.254 1.467 -3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.872 1.023 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.119 -1.438 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.438 0.696 -2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -7.175 -2.895 -0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.492 -0.758 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 477 -4.860 -2.557 0.188 1.00 0.00 H new ATOM 471 N GLN A 478 -7.614 0.629 -7.215 1.00 0.00 N ATOM 472 CA GLN A 478 -8.219 1.461 -8.249 1.00 0.00 C ATOM 473 C GLN A 478 -9.739 1.342 -8.222 1.00 0.00 C ATOM 474 O GLN A 478 -10.451 2.334 -8.378 1.00 0.00 O ATOM 475 CB GLN A 478 -7.688 1.065 -9.627 1.00 0.00 C ATOM 476 CG GLN A 478 -6.239 1.460 -9.857 1.00 0.00 C ATOM 477 CD GLN A 478 -6.084 2.925 -10.215 1.00 0.00 C ATOM 478 OE1 GLN A 478 -6.774 3.437 -11.096 1.00 0.00 O ATOM 479 NE2 GLN A 478 -5.173 3.609 -9.531 1.00 0.00 N ATOM 0 H GLN A 478 -7.019 -0.120 -7.570 1.00 0.00 H new ATOM 0 HA GLN A 478 -7.951 2.498 -8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.785 -0.014 -9.748 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -8.309 1.529 -10.393 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -5.661 1.246 -8.958 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -5.822 0.848 -10.657 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -4.623 3.144 -8.809 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -5.024 4.599 -9.728 1.00 0.00 H new ATOM 488 N THR A 479 -10.228 0.122 -8.024 1.00 0.00 N ATOM 489 CA THR A 479 -11.665 -0.128 -7.977 1.00 0.00 C ATOM 490 C THR A 479 -11.953 -1.571 -7.571 1.00 0.00 C ATOM 491 O THR A 479 -12.355 -2.390 -8.398 1.00 0.00 O ATOM 492 CB THR A 479 -12.299 0.169 -9.337 1.00 0.00 C ATOM 493 OG1 THR A 479 -11.358 -0.010 -10.380 1.00 0.00 O ATOM 494 CG2 THR A 479 -12.845 1.577 -9.447 1.00 0.00 C ATOM 0 H THR A 479 -9.651 -0.709 -7.894 1.00 0.00 H new ATOM 0 HA THR A 479 -12.101 0.534 -7.229 1.00 0.00 H new ATOM 0 HB THR A 479 -13.127 -0.534 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 479 -11.784 0.183 -11.241 1.00 0.00 H new ATOM 0 HG21 THR A 479 -13.281 1.722 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 479 -13.611 1.731 -8.687 1.00 0.00 H new ATOM 0 HG23 THR A 479 -12.037 2.293 -9.298 1.00 0.00 H new ATOM 502 N LYS A 480 -11.746 -1.874 -6.294 1.00 0.00 N ATOM 503 CA LYS A 480 -11.985 -3.217 -5.781 1.00 0.00 C ATOM 504 C LYS A 480 -13.421 -3.363 -5.286 1.00 0.00 C ATOM 505 O LYS A 480 -14.253 -3.987 -5.943 1.00 0.00 O ATOM 506 CB LYS A 480 -11.007 -3.534 -4.647 1.00 0.00 C ATOM 507 CG LYS A 480 -9.563 -3.658 -5.106 1.00 0.00 C ATOM 508 CD LYS A 480 -8.646 -4.046 -3.957 1.00 0.00 C ATOM 509 CE LYS A 480 -8.756 -5.527 -3.632 1.00 0.00 C ATOM 510 NZ LYS A 480 -9.945 -5.824 -2.784 1.00 0.00 N ATOM 0 H LYS A 480 -11.414 -1.208 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 480 -11.827 -3.924 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -11.073 -2.751 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.309 -4.466 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -9.494 -4.405 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -9.233 -2.711 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -7.615 -3.805 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -8.899 -3.459 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.819 -6.098 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -7.852 -5.854 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -9.683 -6.508 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -10.282 -4.947 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -10.701 -6.225 -3.375 1.00 0.00 H new ATOM 524 N LYS A 481 -13.702 -2.785 -4.123 1.00 0.00 N ATOM 525 CA LYS A 481 -15.036 -2.850 -3.540 1.00 0.00 C ATOM 526 C LYS A 481 -15.224 -1.761 -2.489 1.00 0.00 C ATOM 527 O LYS A 481 -15.956 -1.943 -1.516 1.00 0.00 O ATOM 528 CB LYS A 481 -15.276 -4.225 -2.913 1.00 0.00 C ATOM 529 CG LYS A 481 -15.734 -5.277 -3.911 1.00 0.00 C ATOM 530 CD LYS A 481 -14.630 -6.276 -4.218 1.00 0.00 C ATOM 531 CE LYS A 481 -15.088 -7.322 -5.222 1.00 0.00 C ATOM 532 NZ LYS A 481 -16.079 -8.263 -4.631 1.00 0.00 N ATOM 0 H LYS A 481 -13.023 -2.266 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.761 -2.690 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.356 -4.564 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -16.025 -4.131 -2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.601 -5.804 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.052 -4.790 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -13.760 -5.749 -4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -14.316 -6.767 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -15.529 -6.826 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -14.225 -7.882 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -16.302 -9.010 -5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -15.681 -8.692 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -16.948 -7.745 -4.388 1.00 0.00 H new ATOM 546 N THR A 482 -14.559 -0.629 -2.692 1.00 0.00 N ATOM 547 CA THR A 482 -14.652 0.490 -1.761 1.00 0.00 C ATOM 548 C THR A 482 -15.550 1.590 -2.319 1.00 0.00 C ATOM 549 O THR A 482 -16.361 2.170 -1.596 1.00 0.00 O ATOM 550 CB THR A 482 -13.263 1.052 -1.461 1.00 0.00 C ATOM 551 OG1 THR A 482 -13.357 2.324 -0.844 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.401 1.202 -2.693 1.00 0.00 C ATOM 0 H THR A 482 -13.950 -0.462 -3.493 1.00 0.00 H new ATOM 0 HA THR A 482 -15.093 0.121 -0.835 1.00 0.00 H new ATOM 0 HB THR A 482 -12.796 0.326 -0.796 1.00 0.00 H new ATOM 0 HG1 THR A 482 -13.934 2.263 -0.055 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.429 1.606 -2.410 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.266 0.228 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.885 1.881 -3.395 1.00 0.00 H new ATOM 560 N GLY A 483 -15.399 1.874 -3.609 1.00 0.00 N ATOM 561 CA GLY A 483 -16.203 2.903 -4.241 1.00 0.00 C ATOM 562 C GLY A 483 -15.810 4.300 -3.803 1.00 0.00 C ATOM 563 O GLY A 483 -16.627 5.221 -3.836 1.00 0.00 O ATOM 0 H GLY A 483 -14.734 1.410 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -16.103 2.824 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.254 2.734 -4.005 1.00 0.00 H new ATOM 567 N LEU A 484 -14.557 4.460 -3.389 1.00 0.00 N ATOM 568 CA LEU A 484 -14.059 5.755 -2.942 1.00 0.00 C ATOM 569 C LEU A 484 -13.123 6.367 -3.981 1.00 0.00 C ATOM 570 O LEU A 484 -12.391 5.653 -4.666 1.00 0.00 O ATOM 571 CB LEU A 484 -13.332 5.612 -1.604 1.00 0.00 C ATOM 572 CG LEU A 484 -14.185 5.062 -0.459 1.00 0.00 C ATOM 573 CD1 LEU A 484 -13.318 4.750 0.751 1.00 0.00 C ATOM 574 CD2 LEU A 484 -15.281 6.051 -0.090 1.00 0.00 C ATOM 0 H LEU A 484 -13.868 3.708 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.913 6.420 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.472 4.957 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.945 6.588 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 484 -14.654 4.136 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.942 4.360 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -12.569 4.006 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -12.821 5.660 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.878 5.644 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.831 6.993 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.920 6.226 -0.956 1.00 0.00 H new ATOM 586 N SER A 485 -13.152 7.690 -4.090 1.00 0.00 N ATOM 587 CA SER A 485 -12.305 8.398 -5.044 1.00 0.00 C ATOM 588 C SER A 485 -10.830 8.166 -4.737 1.00 0.00 C ATOM 589 O SER A 485 -10.462 7.861 -3.603 1.00 0.00 O ATOM 590 CB SER A 485 -12.615 9.896 -5.019 1.00 0.00 C ATOM 591 OG SER A 485 -11.887 10.583 -6.021 1.00 0.00 O ATOM 0 H SER A 485 -13.753 8.295 -3.530 1.00 0.00 H new ATOM 0 HA SER A 485 -12.516 8.008 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 485 -13.683 10.052 -5.169 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.368 10.306 -4.040 1.00 0.00 H new ATOM 0 HG SER A 485 -12.104 11.538 -5.986 1.00 0.00 H new ATOM 597 N SER A 486 -9.990 8.312 -5.757 1.00 0.00 N ATOM 598 CA SER A 486 -8.553 8.117 -5.596 1.00 0.00 C ATOM 599 C SER A 486 -7.983 9.089 -4.567 1.00 0.00 C ATOM 600 O SER A 486 -7.025 8.770 -3.863 1.00 0.00 O ATOM 601 CB SER A 486 -7.839 8.301 -6.937 1.00 0.00 C ATOM 602 OG SER A 486 -7.906 9.648 -7.370 1.00 0.00 O ATOM 0 H SER A 486 -10.279 8.564 -6.702 1.00 0.00 H new ATOM 0 HA SER A 486 -8.388 7.100 -5.240 1.00 0.00 H new ATOM 0 HB2 SER A 486 -6.796 7.998 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 486 -8.293 7.652 -7.686 1.00 0.00 H new ATOM 0 HG SER A 486 -7.441 9.739 -8.228 1.00 0.00 H new ATOM 608 N GLU A 487 -8.580 10.273 -4.484 1.00 0.00 N ATOM 609 CA GLU A 487 -8.132 11.290 -3.540 1.00 0.00 C ATOM 610 C GLU A 487 -8.275 10.799 -2.103 1.00 0.00 C ATOM 611 O GLU A 487 -7.383 10.994 -1.277 1.00 0.00 O ATOM 612 CB GLU A 487 -8.928 12.581 -3.733 1.00 0.00 C ATOM 613 CG GLU A 487 -8.440 13.732 -2.868 1.00 0.00 C ATOM 614 CD GLU A 487 -7.072 14.237 -3.287 1.00 0.00 C ATOM 615 OE1 GLU A 487 -6.707 14.051 -4.467 1.00 0.00 O ATOM 616 OE2 GLU A 487 -6.367 14.817 -2.435 1.00 0.00 O ATOM 0 H GLU A 487 -9.375 10.552 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 487 -7.078 11.490 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -8.875 12.877 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -9.977 12.388 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -9.157 14.551 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -8.401 13.409 -1.828 1.00 0.00 H new ATOM 623 N GLN A 488 -9.405 10.161 -1.813 1.00 0.00 N ATOM 624 CA GLN A 488 -9.666 9.640 -0.476 1.00 0.00 C ATOM 625 C GLN A 488 -8.680 8.530 -0.123 1.00 0.00 C ATOM 626 O GLN A 488 -8.258 8.402 1.026 1.00 0.00 O ATOM 627 CB GLN A 488 -11.099 9.114 -0.381 1.00 0.00 C ATOM 628 CG GLN A 488 -12.155 10.183 -0.615 1.00 0.00 C ATOM 629 CD GLN A 488 -12.062 11.321 0.383 1.00 0.00 C ATOM 630 OE1 GLN A 488 -11.990 11.099 1.592 1.00 0.00 O ATOM 631 NE2 GLN A 488 -12.065 12.550 -0.119 1.00 0.00 N ATOM 0 H GLN A 488 -10.153 9.993 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.538 10.456 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.234 8.316 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.251 8.674 0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -12.048 10.580 -1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -13.145 9.731 -0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -12.126 12.689 -1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -12.006 13.356 0.504 1.00 0.00 H new ATOM 640 N THR A 489 -8.318 7.730 -1.121 1.00 0.00 N ATOM 641 CA THR A 489 -7.383 6.630 -0.918 1.00 0.00 C ATOM 642 C THR A 489 -6.039 7.143 -0.412 1.00 0.00 C ATOM 643 O THR A 489 -5.413 6.525 0.450 1.00 0.00 O ATOM 644 CB THR A 489 -7.187 5.855 -2.223 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.428 5.383 -2.717 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.266 4.662 -2.079 1.00 0.00 C ATOM 0 H THR A 489 -8.658 7.823 -2.078 1.00 0.00 H new ATOM 0 HA THR A 489 -7.803 5.963 -0.165 1.00 0.00 H new ATOM 0 HB THR A 489 -6.731 6.564 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 489 -8.282 4.892 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.171 4.158 -3.041 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.284 4.999 -1.747 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.679 3.970 -1.346 1.00 0.00 H new ATOM 654 N VAL A 490 -5.601 8.275 -0.952 1.00 0.00 N ATOM 655 CA VAL A 490 -4.330 8.870 -0.556 1.00 0.00 C ATOM 656 C VAL A 490 -4.343 9.266 0.917 1.00 0.00 C ATOM 657 O VAL A 490 -3.373 9.036 1.640 1.00 0.00 O ATOM 658 CB VAL A 490 -4.001 10.110 -1.407 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.607 10.628 -1.085 1.00 0.00 C ATOM 660 CG2 VAL A 490 -4.130 9.789 -2.889 1.00 0.00 C ATOM 0 H VAL A 490 -6.108 8.799 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.562 8.113 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.718 10.894 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -2.394 11.504 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.554 10.900 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.872 9.851 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.894 10.677 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.438 8.988 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.150 9.472 -3.105 1.00 0.00 H new ATOM 670 N ASN A 491 -5.446 9.864 1.356 1.00 0.00 N ATOM 671 CA ASN A 491 -5.583 10.296 2.742 1.00 0.00 C ATOM 672 C ASN A 491 -5.453 9.114 3.699 1.00 0.00 C ATOM 673 O ASN A 491 -4.687 9.164 4.662 1.00 0.00 O ATOM 674 CB ASN A 491 -6.931 10.988 2.952 1.00 0.00 C ATOM 675 CG ASN A 491 -7.061 11.593 4.336 1.00 0.00 C ATOM 676 OD1 ASN A 491 -7.759 11.059 5.196 1.00 0.00 O ATOM 677 ND2 ASN A 491 -6.387 12.717 4.556 1.00 0.00 N ATOM 0 H ASN A 491 -6.258 10.060 0.771 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.781 11.003 2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.055 11.770 2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.734 10.268 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -6.437 13.171 5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -5.820 13.125 3.813 1.00 0.00 H new ATOM 684 N VAL A 492 -6.206 8.053 3.429 1.00 0.00 N ATOM 685 CA VAL A 492 -6.175 6.861 4.268 1.00 0.00 C ATOM 686 C VAL A 492 -4.886 6.071 4.056 1.00 0.00 C ATOM 687 O VAL A 492 -4.238 5.651 5.015 1.00 0.00 O ATOM 688 CB VAL A 492 -7.379 5.943 3.984 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.418 4.787 4.971 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.676 6.736 4.029 1.00 0.00 C ATOM 0 H VAL A 492 -6.845 7.994 2.636 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.223 7.202 5.302 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.267 5.529 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.276 4.151 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.502 4.203 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.504 5.177 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.516 6.072 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.796 7.181 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.647 7.524 3.277 1.00 0.00 H new ATOM 700 N LEU A 493 -4.523 5.872 2.793 1.00 0.00 N ATOM 701 CA LEU A 493 -3.314 5.132 2.452 1.00 0.00 C ATOM 702 C LEU A 493 -2.074 5.823 3.013 1.00 0.00 C ATOM 703 O LEU A 493 -1.104 5.168 3.392 1.00 0.00 O ATOM 704 CB LEU A 493 -3.191 4.988 0.934 1.00 0.00 C ATOM 705 CG LEU A 493 -2.134 3.989 0.461 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.586 3.296 -0.816 1.00 0.00 C ATOM 707 CD2 LEU A 493 -0.800 4.688 0.246 1.00 0.00 C ATOM 0 H LEU A 493 -5.049 6.213 1.989 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.387 4.141 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.159 4.686 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.961 5.965 0.509 1.00 0.00 H new ATOM 0 HG LEU A 493 -2.006 3.232 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.821 2.589 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.518 2.762 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.744 4.040 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.059 3.963 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -0.914 5.466 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.469 5.137 1.183 1.00 0.00 H new ATOM 719 N ALA A 494 -2.111 7.150 3.059 1.00 0.00 N ATOM 720 CA ALA A 494 -0.989 7.926 3.572 1.00 0.00 C ATOM 721 C ALA A 494 -0.844 7.755 5.081 1.00 0.00 C ATOM 722 O ALA A 494 0.267 7.746 5.610 1.00 0.00 O ATOM 723 CB ALA A 494 -1.161 9.396 3.220 1.00 0.00 C ATOM 0 H ALA A 494 -2.905 7.710 2.748 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.078 7.554 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.316 9.965 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -1.206 9.508 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -2.084 9.770 3.662 1.00 0.00 H new ATOM 729 N GLN A 495 -1.973 7.623 5.767 1.00 0.00 N ATOM 730 CA GLN A 495 -1.974 7.455 7.216 1.00 0.00 C ATOM 731 C GLN A 495 -1.706 6.003 7.604 1.00 0.00 C ATOM 732 O GLN A 495 -0.962 5.730 8.545 1.00 0.00 O ATOM 733 CB GLN A 495 -3.311 7.913 7.802 1.00 0.00 C ATOM 734 CG GLN A 495 -3.570 9.402 7.636 1.00 0.00 C ATOM 735 CD GLN A 495 -4.860 9.846 8.297 1.00 0.00 C ATOM 736 OE1 GLN A 495 -4.914 10.038 9.511 1.00 0.00 O ATOM 737 NE2 GLN A 495 -5.907 10.013 7.498 1.00 0.00 N ATOM 0 H GLN A 495 -2.901 7.629 5.343 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.173 8.071 7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.117 7.357 7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.338 7.664 8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.737 9.962 8.061 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.608 9.644 6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -5.817 9.842 6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -6.802 10.312 7.886 1.00 0.00 H new ATOM 746 N ILE A 496 -2.321 5.076 6.877 1.00 0.00 N ATOM 747 CA ILE A 496 -2.152 3.654 7.150 1.00 0.00 C ATOM 748 C ILE A 496 -0.684 3.248 7.058 1.00 0.00 C ATOM 749 O ILE A 496 -0.177 2.507 7.901 1.00 0.00 O ATOM 750 CB ILE A 496 -3.001 2.793 6.183 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.454 1.507 6.875 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.242 2.471 4.900 1.00 0.00 C ATOM 753 CD1 ILE A 496 -4.711 0.910 6.280 1.00 0.00 C ATOM 0 H ILE A 496 -2.941 5.284 6.094 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.499 3.475 8.168 1.00 0.00 H new ATOM 0 HB ILE A 496 -3.880 3.375 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.651 0.772 6.819 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.625 1.713 7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.871 1.866 4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -1.978 3.398 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.334 1.919 5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -4.973 0.000 6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.528 1.628 6.360 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.539 0.671 5.230 1.00 0.00 H new ATOM 765 N LEU A 497 -0.012 3.739 6.025 1.00 0.00 N ATOM 766 CA LEU A 497 1.399 3.433 5.811 1.00 0.00 C ATOM 767 C LEU A 497 2.238 3.839 7.018 1.00 0.00 C ATOM 768 O LEU A 497 3.196 3.156 7.379 1.00 0.00 O ATOM 769 CB LEU A 497 1.913 4.142 4.557 1.00 0.00 C ATOM 770 CG LEU A 497 1.416 3.559 3.233 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.772 4.482 2.077 1.00 0.00 C ATOM 772 CD2 LEU A 497 2.001 2.173 3.009 1.00 0.00 C ATOM 0 H LEU A 497 -0.421 4.352 5.320 1.00 0.00 H new ATOM 0 HA LEU A 497 1.491 2.355 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.622 5.191 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.003 4.113 4.563 1.00 0.00 H new ATOM 0 HG LEU A 497 0.331 3.471 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.411 4.051 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.306 5.455 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.854 4.601 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.637 1.773 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 497 3.089 2.237 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.697 1.514 3.822 1.00 0.00 H new ATOM 784 N LYS A 498 1.874 4.957 7.638 1.00 0.00 N ATOM 785 CA LYS A 498 2.597 5.453 8.804 1.00 0.00 C ATOM 786 C LYS A 498 2.583 4.426 9.932 1.00 0.00 C ATOM 787 O LYS A 498 3.609 4.164 10.560 1.00 0.00 O ATOM 788 CB LYS A 498 1.984 6.768 9.290 1.00 0.00 C ATOM 789 CG LYS A 498 2.149 7.916 8.306 1.00 0.00 C ATOM 790 CD LYS A 498 1.616 9.219 8.877 1.00 0.00 C ATOM 791 CE LYS A 498 1.674 10.341 7.854 1.00 0.00 C ATOM 792 NZ LYS A 498 0.547 11.300 8.015 1.00 0.00 N ATOM 0 H LYS A 498 1.084 5.536 7.353 1.00 0.00 H new ATOM 0 HA LYS A 498 3.632 5.629 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.922 6.615 9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.443 7.045 10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 498 3.203 8.032 8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.624 7.681 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 498 0.587 9.079 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 498 2.197 9.497 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 498 2.620 10.873 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 498 1.650 9.918 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 0.624 12.050 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 -0.356 10.798 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 0.585 11.724 8.964 1.00 0.00 H new ATOM 806 N ARG A 499 1.413 3.847 10.184 1.00 0.00 N ATOM 807 CA ARG A 499 1.265 2.848 11.236 1.00 0.00 C ATOM 808 C ARG A 499 2.001 1.562 10.875 1.00 0.00 C ATOM 809 O ARG A 499 2.611 0.923 11.732 1.00 0.00 O ATOM 810 CB ARG A 499 -0.215 2.551 11.482 1.00 0.00 C ATOM 811 CG ARG A 499 -0.997 3.745 12.005 1.00 0.00 C ATOM 812 CD ARG A 499 -2.431 3.369 12.341 1.00 0.00 C ATOM 813 NE ARG A 499 -3.244 4.539 12.663 1.00 0.00 N ATOM 814 CZ ARG A 499 -4.411 4.478 13.299 1.00 0.00 C ATOM 815 NH1 ARG A 499 -4.906 3.308 13.683 1.00 0.00 N ATOM 816 NH2 ARG A 499 -5.088 5.591 13.551 1.00 0.00 N ATOM 0 H ARG A 499 0.554 4.053 9.674 1.00 0.00 H new ATOM 0 HA ARG A 499 1.704 3.251 12.149 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.668 2.210 10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.299 1.732 12.196 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -0.506 4.142 12.894 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -0.994 4.539 11.258 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -2.874 2.841 11.497 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -2.436 2.680 13.186 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.897 5.457 12.384 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -4.391 2.449 13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -5.801 3.268 14.170 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -4.714 6.493 13.257 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.983 5.544 14.039 1.00 0.00 H new ATOM 830 N LEU A 500 1.938 1.188 9.602 1.00 0.00 N ATOM 831 CA LEU A 500 2.598 -0.022 9.127 1.00 0.00 C ATOM 832 C LEU A 500 4.108 0.072 9.306 1.00 0.00 C ATOM 833 O LEU A 500 4.761 -0.901 9.680 1.00 0.00 O ATOM 834 CB LEU A 500 2.262 -0.269 7.655 1.00 0.00 C ATOM 835 CG LEU A 500 0.819 -0.694 7.381 1.00 0.00 C ATOM 836 CD1 LEU A 500 0.470 -0.487 5.916 1.00 0.00 C ATOM 837 CD2 LEU A 500 0.608 -2.146 7.781 1.00 0.00 C ATOM 0 H LEU A 500 1.436 1.706 8.880 1.00 0.00 H new ATOM 0 HA LEU A 500 2.233 -0.859 9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 500 2.469 0.642 7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.930 -1.039 7.270 1.00 0.00 H new ATOM 0 HG LEU A 500 0.156 -0.071 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -0.561 -0.795 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 500 0.582 0.567 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.138 -1.084 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.424 -2.433 7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.280 -2.783 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.816 -2.264 8.844 1.00 0.00 H new ATOM 849 N ASN A 501 4.655 1.251 9.033 1.00 0.00 N ATOM 850 CA ASN A 501 6.092 1.478 9.161 1.00 0.00 C ATOM 851 C ASN A 501 6.881 0.448 8.353 1.00 0.00 C ATOM 852 O ASN A 501 7.767 -0.226 8.883 1.00 0.00 O ATOM 853 CB ASN A 501 6.508 1.421 10.633 1.00 0.00 C ATOM 854 CG ASN A 501 7.968 1.776 10.835 1.00 0.00 C ATOM 855 OD1 ASN A 501 8.836 0.904 10.845 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.245 3.065 10.999 1.00 0.00 N ATOM 0 H ASN A 501 4.126 2.066 8.721 1.00 0.00 H new ATOM 0 HA ASN A 501 6.316 2.469 8.766 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.887 2.106 11.210 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.323 0.419 11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.209 3.365 11.140 1.00 0.00 H new ATOM 0 HD22 ASN A 501 7.493 3.754 10.984 1.00 0.00 H new ATOM 863 N PRO A 502 6.570 0.312 7.053 1.00 0.00 N ATOM 864 CA PRO A 502 7.252 -0.642 6.172 1.00 0.00 C ATOM 865 C PRO A 502 8.698 -0.243 5.895 1.00 0.00 C ATOM 866 O PRO A 502 9.004 0.937 5.720 1.00 0.00 O ATOM 867 CB PRO A 502 6.429 -0.592 4.884 1.00 0.00 C ATOM 868 CG PRO A 502 5.788 0.752 4.894 1.00 0.00 C ATOM 869 CD PRO A 502 5.527 1.074 6.340 1.00 0.00 C ATOM 0 HA PRO A 502 7.310 -1.635 6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 502 7.061 -0.722 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.683 -1.386 4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.439 1.499 4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.860 0.747 4.322 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.607 2.144 6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.526 0.768 6.646 1.00 0.00 H new ATOM 877 N GLU A 503 9.583 -1.234 5.856 1.00 0.00 N ATOM 878 CA GLU A 503 10.996 -0.986 5.598 1.00 0.00 C ATOM 879 C GLU A 503 11.200 -0.405 4.203 1.00 0.00 C ATOM 880 O GLU A 503 10.467 -0.734 3.271 1.00 0.00 O ATOM 881 CB GLU A 503 11.797 -2.282 5.747 1.00 0.00 C ATOM 882 CG GLU A 503 11.732 -2.880 7.143 1.00 0.00 C ATOM 883 CD GLU A 503 12.586 -4.125 7.285 1.00 0.00 C ATOM 884 OE1 GLU A 503 13.040 -4.657 6.250 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.802 -4.568 8.433 1.00 0.00 O ATOM 0 H GLU A 503 9.346 -2.216 6.000 1.00 0.00 H new ATOM 0 HA GLU A 503 11.353 -0.260 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 503 11.425 -3.014 5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.839 -2.087 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 503 12.059 -2.135 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 503 10.697 -3.125 7.381 1.00 0.00 H new ATOM 892 N ARG A 504 12.200 0.459 4.067 1.00 0.00 N ATOM 893 CA ARG A 504 12.499 1.086 2.785 1.00 0.00 C ATOM 894 C ARG A 504 13.586 0.314 2.042 1.00 0.00 C ATOM 895 O ARG A 504 14.606 -0.053 2.623 1.00 0.00 O ATOM 896 CB ARG A 504 12.938 2.536 2.992 1.00 0.00 C ATOM 897 CG ARG A 504 11.858 3.418 3.598 1.00 0.00 C ATOM 898 CD ARG A 504 12.313 4.865 3.698 1.00 0.00 C ATOM 899 NE ARG A 504 11.375 5.681 4.466 1.00 0.00 N ATOM 900 CZ ARG A 504 11.202 5.573 5.781 1.00 0.00 C ATOM 901 NH1 ARG A 504 11.899 4.685 6.479 1.00 0.00 N ATOM 902 NH2 ARG A 504 10.329 6.355 6.400 1.00 0.00 N ATOM 0 H ARG A 504 12.817 0.741 4.829 1.00 0.00 H new ATOM 0 HA ARG A 504 11.591 1.072 2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 504 13.815 2.553 3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 504 13.242 2.955 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 504 10.956 3.360 2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.598 3.048 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 504 13.296 4.904 4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.420 5.282 2.696 1.00 0.00 H new ATOM 0 HE ARG A 504 10.820 6.374 3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 504 12.572 4.080 6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 504 11.762 4.607 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 504 9.790 7.039 5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 504 10.196 6.273 7.408 1.00 0.00 H new ATOM 916 N LYS A 505 13.358 0.074 0.756 1.00 0.00 N ATOM 917 CA LYS A 505 14.317 -0.654 -0.068 1.00 0.00 C ATOM 918 C LYS A 505 14.515 0.040 -1.412 1.00 0.00 C ATOM 919 O LYS A 505 13.549 0.378 -2.095 1.00 0.00 O ATOM 920 CB LYS A 505 13.844 -2.092 -0.288 1.00 0.00 C ATOM 921 CG LYS A 505 14.839 -2.950 -1.051 1.00 0.00 C ATOM 922 CD LYS A 505 15.910 -3.513 -0.131 1.00 0.00 C ATOM 923 CE LYS A 505 15.332 -4.533 0.838 1.00 0.00 C ATOM 924 NZ LYS A 505 15.103 -3.948 2.188 1.00 0.00 N ATOM 0 H LYS A 505 12.518 0.373 0.261 1.00 0.00 H new ATOM 0 HA LYS A 505 15.272 -0.670 0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 505 13.647 -2.553 0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 505 12.899 -2.076 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.313 -3.769 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 505 15.307 -2.355 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 505 16.695 -3.979 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 505 16.375 -2.701 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 505 14.391 -4.916 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 505 16.011 -5.381 0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 15.817 -4.313 2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 15.178 -2.912 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 14.154 -4.210 2.523 1.00 0.00 H new ATOM 938 N MET A 506 15.773 0.251 -1.785 1.00 0.00 N ATOM 939 CA MET A 506 16.096 0.906 -3.046 1.00 0.00 C ATOM 940 C MET A 506 16.349 -0.122 -4.146 1.00 0.00 C ATOM 941 O MET A 506 17.397 -0.766 -4.178 1.00 0.00 O ATOM 942 CB MET A 506 17.325 1.803 -2.879 1.00 0.00 C ATOM 943 CG MET A 506 17.615 2.669 -4.095 1.00 0.00 C ATOM 944 SD MET A 506 19.181 3.552 -3.959 1.00 0.00 S ATOM 945 CE MET A 506 18.855 4.608 -2.550 1.00 0.00 C ATOM 0 H MET A 506 16.585 -0.022 -1.232 1.00 0.00 H new ATOM 0 HA MET A 506 15.243 1.519 -3.336 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.180 2.446 -2.011 1.00 0.00 H new ATOM 0 HB3 MET A 506 18.194 1.179 -2.672 1.00 0.00 H new ATOM 0 HG2 MET A 506 17.631 2.043 -4.987 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.807 3.388 -4.225 1.00 0.00 H new ATOM 0 HE1 MET A 506 19.629 5.372 -2.481 1.00 0.00 H new ATOM 0 HE2 MET A 506 17.883 5.086 -2.671 1.00 0.00 H new ATOM 0 HE3 MET A 506 18.854 4.009 -1.639 1.00 0.00 H new ATOM 955 N ILE A 507 15.381 -0.267 -5.045 1.00 0.00 N ATOM 956 CA ILE A 507 15.499 -1.214 -6.147 1.00 0.00 C ATOM 957 C ILE A 507 15.385 -0.505 -7.492 1.00 0.00 C ATOM 958 O ILE A 507 14.427 0.225 -7.741 1.00 0.00 O ATOM 959 CB ILE A 507 14.419 -2.310 -6.064 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.410 -2.944 -4.672 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.651 -3.369 -7.132 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.295 -3.946 -4.470 1.00 0.00 C ATOM 0 H ILE A 507 14.507 0.259 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 507 16.482 -1.677 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 507 13.446 -1.852 -6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.366 -3.438 -4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.319 -2.157 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.879 -4.135 -7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.610 -2.906 -8.118 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.630 -3.825 -6.985 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.351 -4.354 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.333 -3.453 -4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.396 -4.754 -5.195 1.00 0.00 H new ATOM 974 N ASN A 508 16.371 -0.724 -8.357 1.00 0.00 N ATOM 975 CA ASN A 508 16.382 -0.105 -9.677 1.00 0.00 C ATOM 976 C ASN A 508 16.346 1.416 -9.566 1.00 0.00 C ATOM 977 O ASN A 508 15.627 2.088 -10.306 1.00 0.00 O ATOM 978 CB ASN A 508 15.192 -0.597 -10.504 1.00 0.00 C ATOM 979 CG ASN A 508 15.552 -0.825 -11.958 1.00 0.00 C ATOM 980 OD1 ASN A 508 15.125 -1.804 -12.571 1.00 0.00 O ATOM 981 ND2 ASN A 508 16.343 0.081 -12.522 1.00 0.00 N ATOM 0 H ASN A 508 17.172 -1.326 -8.167 1.00 0.00 H new ATOM 0 HA ASN A 508 17.307 -0.392 -10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 508 14.815 -1.526 -10.076 1.00 0.00 H new ATOM 0 HB3 ASN A 508 14.384 0.133 -10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 508 16.619 -0.020 -13.499 1.00 0.00 H new ATOM 0 HD22 ASN A 508 16.675 0.878 -11.978 1.00 0.00 H new ATOM 988 N ASP A 509 17.126 1.954 -8.634 1.00 0.00 N ATOM 989 CA ASP A 509 17.184 3.396 -8.423 1.00 0.00 C ATOM 990 C ASP A 509 15.813 3.945 -8.039 1.00 0.00 C ATOM 991 O ASP A 509 15.479 5.086 -8.361 1.00 0.00 O ATOM 992 CB ASP A 509 17.693 4.096 -9.684 1.00 0.00 C ATOM 993 CG ASP A 509 17.956 5.573 -9.458 1.00 0.00 C ATOM 994 OD1 ASP A 509 19.050 5.912 -8.961 1.00 0.00 O ATOM 995 OD2 ASP A 509 17.067 6.389 -9.778 1.00 0.00 O ATOM 0 H ASP A 509 17.727 1.413 -8.013 1.00 0.00 H new ATOM 0 HA ASP A 509 17.876 3.592 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 509 18.611 3.613 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.961 3.978 -10.483 1.00 0.00 H new ATOM 1000 N LYS A 510 15.026 3.127 -7.350 1.00 0.00 N ATOM 1001 CA LYS A 510 13.691 3.531 -6.921 1.00 0.00 C ATOM 1002 C LYS A 510 13.397 3.025 -5.513 1.00 0.00 C ATOM 1003 O LYS A 510 13.802 1.923 -5.141 1.00 0.00 O ATOM 1004 CB LYS A 510 12.637 3.005 -7.897 1.00 0.00 C ATOM 1005 CG LYS A 510 11.239 3.534 -7.627 1.00 0.00 C ATOM 1006 CD LYS A 510 10.280 3.176 -8.751 1.00 0.00 C ATOM 1007 CE LYS A 510 10.029 1.678 -8.814 1.00 0.00 C ATOM 1008 NZ LYS A 510 9.444 1.268 -10.121 1.00 0.00 N ATOM 0 H LYS A 510 15.288 2.180 -7.076 1.00 0.00 H new ATOM 0 HA LYS A 510 13.653 4.620 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.928 3.274 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 510 12.620 1.916 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 510 10.869 3.124 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 510 11.275 4.617 -7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 510 9.335 3.698 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.689 3.518 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 510 10.966 1.146 -8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 510 9.355 1.388 -8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 9.288 0.240 -10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 8.537 1.756 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 10.098 1.521 -10.889 1.00 0.00 H new ATOM 1022 N MET A 511 12.691 3.837 -4.733 1.00 0.00 N ATOM 1023 CA MET A 511 12.346 3.472 -3.364 1.00 0.00 C ATOM 1024 C MET A 511 11.142 2.536 -3.335 1.00 0.00 C ATOM 1025 O MET A 511 10.147 2.766 -4.023 1.00 0.00 O ATOM 1026 CB MET A 511 12.049 4.726 -2.539 1.00 0.00 C ATOM 1027 CG MET A 511 13.259 5.625 -2.343 1.00 0.00 C ATOM 1028 SD MET A 511 12.936 6.989 -1.208 1.00 0.00 S ATOM 1029 CE MET A 511 11.599 7.826 -2.057 1.00 0.00 C ATOM 0 H MET A 511 12.347 4.752 -5.025 1.00 0.00 H new ATOM 0 HA MET A 511 13.199 2.951 -2.929 1.00 0.00 H new ATOM 0 HB2 MET A 511 11.259 5.295 -3.030 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.667 4.427 -1.563 1.00 0.00 H new ATOM 0 HG2 MET A 511 14.090 5.031 -1.963 1.00 0.00 H new ATOM 0 HG3 MET A 511 13.569 6.026 -3.308 1.00 0.00 H new ATOM 0 HE1 MET A 511 11.466 8.821 -1.633 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.838 7.912 -3.117 1.00 0.00 H new ATOM 0 HE3 MET A 511 10.678 7.255 -1.938 1.00 0.00 H new ATOM 1039 N HIS A 512 11.240 1.480 -2.533 1.00 0.00 N ATOM 1040 CA HIS A 512 10.160 0.507 -2.412 1.00 0.00 C ATOM 1041 C HIS A 512 9.886 0.182 -0.947 1.00 0.00 C ATOM 1042 O HIS A 512 10.739 0.392 -0.084 1.00 0.00 O ATOM 1043 CB HIS A 512 10.510 -0.773 -3.172 1.00 0.00 C ATOM 1044 CG HIS A 512 10.561 -0.593 -4.658 1.00 0.00 C ATOM 1045 ND1 HIS A 512 11.719 -0.292 -5.340 1.00 0.00 N ATOM 1046 CD2 HIS A 512 9.586 -0.678 -5.594 1.00 0.00 C ATOM 1047 CE1 HIS A 512 11.456 -0.199 -6.632 1.00 0.00 C ATOM 1048 NE2 HIS A 512 10.169 -0.429 -6.812 1.00 0.00 N ATOM 0 H HIS A 512 12.057 1.276 -1.957 1.00 0.00 H new ATOM 0 HA HIS A 512 9.260 0.943 -2.846 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.477 -1.139 -2.825 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.774 -1.541 -2.932 1.00 0.00 H new ATOM 0 HD1 HIS A 512 12.637 -0.161 -4.914 1.00 0.00 H new ATOM 0 HD2 HIS A 512 8.544 -0.900 -5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 512 12.172 0.027 -7.408 1.00 0.00 H new ATOM 1057 N PHE A 513 8.691 -0.331 -0.673 1.00 0.00 N ATOM 1058 CA PHE A 513 8.306 -0.686 0.688 1.00 0.00 C ATOM 1059 C PHE A 513 8.226 -2.200 0.853 1.00 0.00 C ATOM 1060 O PHE A 513 7.579 -2.886 0.063 1.00 0.00 O ATOM 1061 CB PHE A 513 6.961 -0.050 1.044 1.00 0.00 C ATOM 1062 CG PHE A 513 6.988 1.451 1.050 1.00 0.00 C ATOM 1063 CD1 PHE A 513 8.038 2.137 1.640 1.00 0.00 C ATOM 1064 CD2 PHE A 513 5.963 2.178 0.465 1.00 0.00 C ATOM 1065 CE1 PHE A 513 8.065 3.518 1.647 1.00 0.00 C ATOM 1066 CE2 PHE A 513 5.984 3.560 0.470 1.00 0.00 C ATOM 1067 CZ PHE A 513 7.037 4.231 1.062 1.00 0.00 C ATOM 0 H PHE A 513 7.973 -0.510 -1.375 1.00 0.00 H new ATOM 0 HA PHE A 513 9.070 -0.304 1.366 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.209 -0.389 0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.651 -0.403 2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 513 8.845 1.585 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 513 5.138 1.658 -0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 513 8.890 4.040 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.179 4.115 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 513 7.056 5.311 1.067 1.00 0.00 H new ATOM 1077 N SER A 514 8.887 -2.714 1.885 1.00 0.00 N ATOM 1078 CA SER A 514 8.890 -4.147 2.154 1.00 0.00 C ATOM 1079 C SER A 514 8.373 -4.439 3.559 1.00 0.00 C ATOM 1080 O SER A 514 8.610 -3.670 4.490 1.00 0.00 O ATOM 1081 CB SER A 514 10.300 -4.715 1.989 1.00 0.00 C ATOM 1082 OG SER A 514 10.788 -4.496 0.676 1.00 0.00 O ATOM 0 H SER A 514 9.428 -2.159 2.549 1.00 0.00 H new ATOM 0 HA SER A 514 8.226 -4.627 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.970 -4.249 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.292 -5.784 2.204 1.00 0.00 H new ATOM 0 HG SER A 514 11.692 -4.867 0.597 1.00 0.00 H new ATOM 1088 N LEU A 515 7.665 -5.555 3.704 1.00 0.00 N ATOM 1089 CA LEU A 515 7.114 -5.947 4.996 1.00 0.00 C ATOM 1090 C LEU A 515 7.235 -7.454 5.204 1.00 0.00 C ATOM 1091 O LEU A 515 7.066 -8.236 4.268 1.00 0.00 O ATOM 1092 CB LEU A 515 5.649 -5.518 5.099 1.00 0.00 C ATOM 1093 CG LEU A 515 5.396 -4.284 5.967 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.182 -3.518 5.464 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.211 -4.687 7.421 1.00 0.00 C ATOM 0 H LEU A 515 7.460 -6.203 2.943 1.00 0.00 H new ATOM 0 HA LEU A 515 7.686 -5.446 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.272 -5.321 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.070 -6.350 5.499 1.00 0.00 H new ATOM 0 HG LEU A 515 6.265 -3.630 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 515 4.017 -2.643 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.354 -3.198 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.304 -4.163 5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.032 -3.798 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 515 4.359 -5.361 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 515 6.110 -5.192 7.776 1.00 0.00 H new ATOM 1107 N LYS A 516 7.529 -7.852 6.437 1.00 0.00 N ATOM 1108 CA LYS A 516 7.672 -9.265 6.771 1.00 0.00 C ATOM 1109 C LYS A 516 6.881 -9.608 8.029 1.00 0.00 C ATOM 1110 O LYS A 516 7.131 -9.056 9.101 1.00 0.00 O ATOM 1111 CB LYS A 516 9.147 -9.616 6.968 1.00 0.00 C ATOM 1112 CG LYS A 516 9.392 -11.098 7.204 1.00 0.00 C ATOM 1113 CD LYS A 516 10.865 -11.388 7.439 1.00 0.00 C ATOM 1114 CE LYS A 516 11.130 -12.881 7.544 1.00 0.00 C ATOM 1115 NZ LYS A 516 12.538 -13.221 7.200 1.00 0.00 N ATOM 0 H LYS A 516 7.673 -7.217 7.222 1.00 0.00 H new ATOM 0 HA LYS A 516 7.274 -9.852 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 516 9.708 -9.299 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 516 9.536 -9.052 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 516 8.813 -11.431 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 516 9.041 -11.668 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 516 11.454 -10.970 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 516 11.192 -10.894 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 516 10.913 -13.218 8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 516 10.454 -13.417 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.678 -14.248 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 12.739 -12.923 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.183 -12.730 7.851 1.00 0.00 H new ATOM 1129 N GLU A 517 5.927 -10.522 7.891 1.00 0.00 N ATOM 1130 CA GLU A 517 5.100 -10.939 9.018 1.00 0.00 C ATOM 1131 C GLU A 517 5.700 -12.159 9.710 1.00 0.00 C ATOM 1132 O GLU A 517 6.399 -12.941 9.031 1.00 0.00 O ATOM 1133 CB GLU A 517 3.680 -11.255 8.544 1.00 0.00 C ATOM 1134 CG GLU A 517 2.963 -10.060 7.936 1.00 0.00 C ATOM 1135 CD GLU A 517 1.533 -10.375 7.540 1.00 0.00 C ATOM 1136 OE1 GLU A 517 1.168 -11.570 7.528 1.00 0.00 O ATOM 1137 OE2 GLU A 517 0.777 -9.427 7.241 1.00 0.00 O ATOM 1138 OXT GLU A 517 5.465 -12.322 10.926 1.00 0.00 O ATOM 0 H GLU A 517 5.707 -10.988 7.011 1.00 0.00 H new ATOM 0 HA GLU A 517 5.063 -10.118 9.734 1.00 0.00 H new ATOM 0 HB2 GLU A 517 3.722 -12.057 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 517 3.098 -11.627 9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 517 2.965 -9.238 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.512 -9.720 7.058 1.00 0.00 H new