USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 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 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 28:sc= -1.15 USER MOD Single : A 466 LYS NZ :NH3+ 143:sc= -1.14 (180deg=-3.65!) USER MOD Single : A 468 MET CE :methyl -127:sc= -1.06 (180deg=-1.83) USER MOD Single : A 469 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 470 THR OG1 : rot 180:sc=-0.00525 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 K(o=0,f=-2.8!) USER MOD Single : A 479 THR OG1 : rot -60:sc= 0.907 USER MOD Single : A 480 LYS NZ :NH3+ 142:sc= -1.3 (180deg=-3.62!) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0.00339 USER MOD Single : A 485 SER OG : rot 180:sc= -1.04 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.0945 X(o=-0.094,f=-0.11) USER MOD Single : A 489 THR OG1 : rot 73:sc= 0.238 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= 0.0504 X(o=0.05,f=0) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 508 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.7) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS : no HD1:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.280 0.423 4.017 1.00 0.00 N ATOM 46 CA VAL A 454 -9.103 -0.395 3.754 1.00 0.00 C ATOM 47 C VAL A 454 -8.465 -0.875 5.053 1.00 0.00 C ATOM 48 O VAL A 454 -8.322 -0.108 6.006 1.00 0.00 O ATOM 49 CB VAL A 454 -8.053 0.379 2.934 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.917 -0.542 2.514 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.697 1.030 1.720 1.00 0.00 C ATOM 0 HA VAL A 454 -9.439 -1.257 3.178 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.638 1.167 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.186 0.023 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.437 -0.956 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -7.313 -1.354 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.940 1.572 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.142 0.261 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.471 1.724 2.047 1.00 0.00 H new ATOM 61 N THR A 455 -8.086 -2.148 5.086 1.00 0.00 N ATOM 62 CA THR A 455 -7.464 -2.731 6.269 1.00 0.00 C ATOM 63 C THR A 455 -5.947 -2.776 6.123 1.00 0.00 C ATOM 64 O THR A 455 -5.425 -3.102 5.057 1.00 0.00 O ATOM 65 CB THR A 455 -8.005 -4.141 6.513 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.420 -4.131 6.577 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.492 -4.766 7.792 1.00 0.00 C ATOM 0 H THR A 455 -8.199 -2.796 4.307 1.00 0.00 H new ATOM 0 HA THR A 455 -7.710 -2.101 7.124 1.00 0.00 H new ATOM 0 HB THR A 455 -7.652 -4.735 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.747 -5.042 6.732 1.00 0.00 H new ATOM 0 HG21 THR A 455 -7.914 -5.765 7.904 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.405 -4.834 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 455 -7.787 -4.150 8.642 1.00 0.00 H new ATOM 75 N GLU A 456 -5.244 -2.445 7.202 1.00 0.00 N ATOM 76 CA GLU A 456 -3.786 -2.447 7.195 1.00 0.00 C ATOM 77 C GLU A 456 -3.244 -3.842 6.895 1.00 0.00 C ATOM 78 O GLU A 456 -2.210 -3.990 6.245 1.00 0.00 O ATOM 79 CB GLU A 456 -3.250 -1.959 8.542 1.00 0.00 C ATOM 80 CG GLU A 456 -1.734 -1.858 8.594 1.00 0.00 C ATOM 81 CD GLU A 456 -1.218 -1.495 9.974 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.048 -1.295 10.886 1.00 0.00 O ATOM 83 OE2 GLU A 456 0.017 -1.412 10.143 1.00 0.00 O ATOM 0 H GLU A 456 -5.661 -2.172 8.092 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.450 -1.770 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.679 -0.981 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -3.588 -2.638 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -1.300 -2.810 8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.399 -1.109 7.877 1.00 0.00 H new ATOM 90 N ASP A 457 -3.950 -4.860 7.375 1.00 0.00 N ATOM 91 CA ASP A 457 -3.541 -6.244 7.161 1.00 0.00 C ATOM 92 C ASP A 457 -3.486 -6.573 5.672 1.00 0.00 C ATOM 93 O ASP A 457 -2.628 -7.334 5.227 1.00 0.00 O ATOM 94 CB ASP A 457 -4.505 -7.197 7.869 1.00 0.00 C ATOM 95 CG ASP A 457 -4.469 -7.041 9.377 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.491 -6.458 9.891 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.420 -7.501 10.044 1.00 0.00 O ATOM 0 H ASP A 457 -4.809 -4.753 7.915 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.542 -6.369 7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.519 -7.016 7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.254 -8.225 7.607 1.00 0.00 H new ATOM 102 N ALA A 458 -4.408 -5.996 4.908 1.00 0.00 N ATOM 103 CA ALA A 458 -4.465 -6.231 3.471 1.00 0.00 C ATOM 104 C ALA A 458 -3.167 -5.810 2.791 1.00 0.00 C ATOM 105 O ALA A 458 -2.646 -6.521 1.932 1.00 0.00 O ATOM 106 CB ALA A 458 -5.646 -5.488 2.863 1.00 0.00 C ATOM 0 H ALA A 458 -5.125 -5.363 5.261 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.597 -7.301 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.678 -5.672 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.571 -5.840 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.536 -4.419 3.045 1.00 0.00 H new ATOM 112 N VAL A 459 -2.650 -4.649 3.180 1.00 0.00 N ATOM 113 CA VAL A 459 -1.412 -4.133 2.607 1.00 0.00 C ATOM 114 C VAL A 459 -0.229 -5.035 2.945 1.00 0.00 C ATOM 115 O VAL A 459 0.673 -5.224 2.129 1.00 0.00 O ATOM 116 CB VAL A 459 -1.115 -2.706 3.107 1.00 0.00 C ATOM 117 CG1 VAL A 459 0.093 -2.125 2.388 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.333 -1.813 2.926 1.00 0.00 C ATOM 0 H VAL A 459 -3.069 -4.048 3.889 1.00 0.00 H new ATOM 0 HA VAL A 459 -1.549 -4.111 1.526 1.00 0.00 H new ATOM 0 HB VAL A 459 -0.884 -2.756 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 459 0.285 -1.117 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.964 -2.752 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.104 -2.089 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.105 -0.809 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -2.598 -1.769 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.170 -2.220 3.494 1.00 0.00 H new ATOM 128 N ARG A 460 -0.238 -5.586 4.154 1.00 0.00 N ATOM 129 CA ARG A 460 0.835 -6.467 4.602 1.00 0.00 C ATOM 130 C ARG A 460 0.995 -7.661 3.666 1.00 0.00 C ATOM 131 O ARG A 460 2.113 -8.083 3.369 1.00 0.00 O ATOM 132 CB ARG A 460 0.560 -6.954 6.026 1.00 0.00 C ATOM 133 CG ARG A 460 1.705 -7.751 6.629 1.00 0.00 C ATOM 134 CD ARG A 460 1.345 -8.289 8.004 1.00 0.00 C ATOM 135 NE ARG A 460 0.985 -7.220 8.933 1.00 0.00 N ATOM 136 CZ ARG A 460 0.302 -7.414 10.059 1.00 0.00 C ATOM 137 NH1 ARG A 460 -0.094 -8.634 10.401 1.00 0.00 N ATOM 138 NH2 ARG A 460 0.015 -6.386 10.845 1.00 0.00 N ATOM 0 H ARG A 460 -0.977 -5.438 4.842 1.00 0.00 H new ATOM 0 HA ARG A 460 1.764 -5.897 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.353 -6.093 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.339 -7.571 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.961 -8.579 5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.590 -7.119 6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 460 0.512 -8.987 7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 460 2.189 -8.850 8.406 1.00 0.00 H new ATOM 0 HE ARG A 460 1.274 -6.269 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.125 -9.428 9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.617 -8.777 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.317 -5.447 10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -0.508 -6.534 11.708 1.00 0.00 H new ATOM 152 N ARG A 461 -0.128 -8.204 3.207 1.00 0.00 N ATOM 153 CA ARG A 461 -0.108 -9.352 2.307 1.00 0.00 C ATOM 154 C ARG A 461 0.638 -9.024 1.017 1.00 0.00 C ATOM 155 O ARG A 461 1.392 -9.848 0.499 1.00 0.00 O ATOM 156 CB ARG A 461 -1.534 -9.802 1.987 1.00 0.00 C ATOM 157 CG ARG A 461 -2.233 -10.480 3.154 1.00 0.00 C ATOM 158 CD ARG A 461 -3.573 -11.066 2.739 1.00 0.00 C ATOM 159 NE ARG A 461 -4.505 -10.035 2.289 1.00 0.00 N ATOM 160 CZ ARG A 461 -5.623 -10.292 1.614 1.00 0.00 C ATOM 161 NH1 ARG A 461 -5.950 -11.541 1.308 1.00 0.00 N ATOM 162 NH2 ARG A 461 -6.417 -9.296 1.245 1.00 0.00 N ATOM 0 H ARG A 461 -1.062 -7.868 3.443 1.00 0.00 H new ATOM 0 HA ARG A 461 0.417 -10.164 2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.119 -8.936 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.508 -10.489 1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.596 -11.271 3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.384 -9.759 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -3.420 -11.790 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -4.008 -11.606 3.580 1.00 0.00 H new ATOM 0 HE ARG A 461 -4.286 -9.062 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -5.343 -12.311 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -6.808 -11.731 0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -6.171 -8.334 1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -7.274 -9.492 0.728 1.00 0.00 H new ATOM 176 N TYR A 462 0.422 -7.818 0.501 1.00 0.00 N ATOM 177 CA TYR A 462 1.076 -7.387 -0.729 1.00 0.00 C ATOM 178 C TYR A 462 2.574 -7.194 -0.513 1.00 0.00 C ATOM 179 O TYR A 462 3.390 -7.651 -1.313 1.00 0.00 O ATOM 180 CB TYR A 462 0.452 -6.085 -1.235 1.00 0.00 C ATOM 181 CG TYR A 462 -0.980 -6.238 -1.695 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.274 -6.736 -2.959 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.037 -5.886 -0.866 1.00 0.00 C ATOM 184 CE1 TYR A 462 -2.582 -6.878 -3.383 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.348 -6.026 -1.283 1.00 0.00 C ATOM 186 CZ TYR A 462 -3.614 -6.522 -2.541 1.00 0.00 C ATOM 187 OH TYR A 462 -4.917 -6.662 -2.960 1.00 0.00 O ATOM 0 H TYR A 462 -0.200 -7.123 0.915 1.00 0.00 H new ATOM 0 HA TYR A 462 0.933 -8.167 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.492 -5.340 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 462 1.051 -5.702 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.468 -7.016 -3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -1.832 -5.497 0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -2.794 -7.266 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.159 -5.748 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.523 -6.368 -2.248 1.00 0.00 H new ATOM 197 N LEU A 463 2.927 -6.514 0.573 1.00 0.00 N ATOM 198 CA LEU A 463 4.326 -6.259 0.894 1.00 0.00 C ATOM 199 C LEU A 463 5.049 -7.554 1.250 1.00 0.00 C ATOM 200 O LEU A 463 6.224 -7.729 0.926 1.00 0.00 O ATOM 201 CB LEU A 463 4.431 -5.267 2.054 1.00 0.00 C ATOM 202 CG LEU A 463 3.905 -3.863 1.752 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.699 -3.082 3.041 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.861 -3.125 0.827 1.00 0.00 C ATOM 0 H LEU A 463 2.263 -6.130 1.245 1.00 0.00 H new ATOM 0 HA LEU A 463 4.802 -5.830 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.883 -5.668 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.476 -5.191 2.354 1.00 0.00 H new ATOM 0 HG LEU A 463 2.942 -3.956 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 463 3.325 -2.086 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.977 -3.602 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.648 -2.998 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.472 -2.128 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.838 -3.043 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.959 -3.675 -0.109 1.00 0.00 H new ATOM 216 N THR A 464 4.340 -8.459 1.917 1.00 0.00 N ATOM 217 CA THR A 464 4.912 -9.736 2.316 1.00 0.00 C ATOM 218 C THR A 464 5.245 -10.590 1.097 1.00 0.00 C ATOM 219 O THR A 464 6.185 -11.385 1.122 1.00 0.00 O ATOM 220 CB THR A 464 3.940 -10.481 3.228 1.00 0.00 C ATOM 221 OG1 THR A 464 2.626 -10.438 2.703 1.00 0.00 O ATOM 222 CG2 THR A 464 3.891 -9.926 4.635 1.00 0.00 C ATOM 0 H THR A 464 3.366 -8.329 2.192 1.00 0.00 H new ATOM 0 HA THR A 464 5.837 -9.542 2.859 1.00 0.00 H new ATOM 0 HB THR A 464 4.314 -11.504 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.666 -10.355 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 464 3.181 -10.502 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.881 -9.993 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.576 -8.883 4.604 1.00 0.00 H new ATOM 230 N ARG A 465 4.467 -10.423 0.033 1.00 0.00 N ATOM 231 CA ARG A 465 4.680 -11.180 -1.195 1.00 0.00 C ATOM 232 C ARG A 465 5.857 -10.620 -1.983 1.00 0.00 C ATOM 233 O ARG A 465 6.877 -11.286 -2.157 1.00 0.00 O ATOM 234 CB ARG A 465 3.417 -11.157 -2.059 1.00 0.00 C ATOM 235 CG ARG A 465 3.507 -12.040 -3.292 1.00 0.00 C ATOM 236 CD ARG A 465 2.261 -11.922 -4.155 1.00 0.00 C ATOM 237 NE ARG A 465 1.052 -12.294 -3.424 1.00 0.00 N ATOM 238 CZ ARG A 465 0.747 -13.543 -3.082 1.00 0.00 C ATOM 239 NH1 ARG A 465 1.558 -14.544 -3.401 1.00 0.00 N ATOM 240 NH2 ARG A 465 -0.373 -13.794 -2.417 1.00 0.00 N ATOM 0 H ARG A 465 3.684 -9.771 -0.004 1.00 0.00 H new ATOM 0 HA ARG A 465 4.907 -12.210 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.568 -11.476 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.219 -10.131 -2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 465 4.384 -11.761 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 465 3.643 -13.078 -2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 465 2.166 -10.898 -4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 465 2.365 -12.561 -5.032 1.00 0.00 H new ATOM 0 HE ARG A 465 0.403 -11.552 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 465 2.421 -14.358 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 465 1.318 -15.499 -3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -1.000 -13.029 -2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -0.607 -14.752 -2.155 1.00 0.00 H new ATOM 254 N LYS A 466 5.706 -9.391 -2.455 1.00 0.00 N ATOM 255 CA LYS A 466 6.753 -8.731 -3.226 1.00 0.00 C ATOM 256 C LYS A 466 6.768 -7.229 -2.950 1.00 0.00 C ATOM 257 O LYS A 466 5.742 -6.644 -2.603 1.00 0.00 O ATOM 258 CB LYS A 466 6.552 -8.984 -4.721 1.00 0.00 C ATOM 259 CG LYS A 466 5.229 -8.458 -5.254 1.00 0.00 C ATOM 260 CD LYS A 466 4.954 -8.965 -6.660 1.00 0.00 C ATOM 261 CE LYS A 466 3.464 -8.990 -6.961 1.00 0.00 C ATOM 262 NZ LYS A 466 2.882 -10.348 -6.771 1.00 0.00 N ATOM 0 H LYS A 466 4.866 -8.828 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 466 7.712 -9.149 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 466 7.368 -8.517 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 466 6.610 -10.056 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 466 4.420 -8.765 -4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 466 5.244 -7.368 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 466 5.462 -8.328 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 466 5.366 -9.968 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 466 2.950 -8.281 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 466 3.295 -8.663 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 1.926 -10.263 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 2.830 -10.835 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 3.482 -10.895 -6.122 1.00 0.00 H new ATOM 276 N PRO A 467 7.937 -6.582 -3.102 1.00 0.00 N ATOM 277 CA PRO A 467 8.077 -5.141 -2.868 1.00 0.00 C ATOM 278 C PRO A 467 7.129 -4.321 -3.735 1.00 0.00 C ATOM 279 O PRO A 467 7.029 -4.541 -4.942 1.00 0.00 O ATOM 280 CB PRO A 467 9.533 -4.850 -3.249 1.00 0.00 C ATOM 281 CG PRO A 467 10.229 -6.162 -3.144 1.00 0.00 C ATOM 282 CD PRO A 467 9.209 -7.202 -3.512 1.00 0.00 C ATOM 0 HA PRO A 467 7.833 -4.873 -1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.603 -4.446 -4.259 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.976 -4.113 -2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 467 11.088 -6.203 -3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.605 -6.325 -2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.225 -7.422 -4.579 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.386 -8.142 -2.990 1.00 0.00 H new ATOM 290 N MET A 468 6.433 -3.375 -3.114 1.00 0.00 N ATOM 291 CA MET A 468 5.492 -2.523 -3.832 1.00 0.00 C ATOM 292 C MET A 468 5.660 -1.062 -3.428 1.00 0.00 C ATOM 293 O MET A 468 6.060 -0.760 -2.304 1.00 0.00 O ATOM 294 CB MET A 468 4.056 -2.976 -3.565 1.00 0.00 C ATOM 295 CG MET A 468 3.772 -4.398 -4.020 1.00 0.00 C ATOM 296 SD MET A 468 4.050 -4.631 -5.786 1.00 0.00 S ATOM 297 CE MET A 468 2.785 -3.564 -6.472 1.00 0.00 C ATOM 0 H MET A 468 6.503 -3.179 -2.115 1.00 0.00 H new ATOM 0 HA MET A 468 5.702 -2.612 -4.898 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.852 -2.897 -2.497 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.370 -2.297 -4.072 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.406 -5.087 -3.462 1.00 0.00 H new ATOM 0 HG3 MET A 468 2.739 -4.652 -3.782 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.180 -4.127 -7.183 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.149 -3.192 -5.669 1.00 0.00 H new ATOM 0 HE3 MET A 468 3.255 -2.723 -6.982 1.00 0.00 H new ATOM 307 N THR A 469 5.348 -0.159 -4.352 1.00 0.00 N ATOM 308 CA THR A 469 5.461 1.271 -4.091 1.00 0.00 C ATOM 309 C THR A 469 4.137 1.835 -3.586 1.00 0.00 C ATOM 310 O THR A 469 3.092 1.196 -3.710 1.00 0.00 O ATOM 311 CB THR A 469 5.895 2.011 -5.358 1.00 0.00 C ATOM 312 OG1 THR A 469 4.839 2.052 -6.301 1.00 0.00 O ATOM 313 CG2 THR A 469 7.092 1.383 -6.037 1.00 0.00 C ATOM 0 H THR A 469 5.015 -0.392 -5.288 1.00 0.00 H new ATOM 0 HA THR A 469 6.217 1.416 -3.319 1.00 0.00 H new ATOM 0 HB THR A 469 6.169 3.013 -5.028 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.135 2.530 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.347 1.957 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.940 1.381 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.853 0.358 -6.321 1.00 0.00 H new ATOM 321 N THR A 470 4.187 3.035 -3.016 1.00 0.00 N ATOM 322 CA THR A 470 2.990 3.682 -2.492 1.00 0.00 C ATOM 323 C THR A 470 1.946 3.869 -3.589 1.00 0.00 C ATOM 324 O THR A 470 0.768 3.570 -3.396 1.00 0.00 O ATOM 325 CB THR A 470 3.346 5.036 -1.877 1.00 0.00 C ATOM 326 OG1 THR A 470 4.020 5.853 -2.817 1.00 0.00 O ATOM 327 CG2 THR A 470 4.226 4.924 -0.651 1.00 0.00 C ATOM 0 H THR A 470 5.043 3.578 -2.905 1.00 0.00 H new ATOM 0 HA THR A 470 2.568 3.038 -1.720 1.00 0.00 H new ATOM 0 HB THR A 470 2.394 5.478 -1.582 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.237 6.715 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.441 5.920 -0.265 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.712 4.341 0.114 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.160 4.429 -0.917 1.00 0.00 H new ATOM 335 N LYS A 471 2.387 4.366 -4.740 1.00 0.00 N ATOM 336 CA LYS A 471 1.492 4.593 -5.868 1.00 0.00 C ATOM 337 C LYS A 471 0.886 3.282 -6.358 1.00 0.00 C ATOM 338 O LYS A 471 -0.297 3.220 -6.694 1.00 0.00 O ATOM 339 CB LYS A 471 2.243 5.279 -7.011 1.00 0.00 C ATOM 340 CG LYS A 471 1.353 5.658 -8.183 1.00 0.00 C ATOM 341 CD LYS A 471 2.157 6.272 -9.317 1.00 0.00 C ATOM 342 CE LYS A 471 1.252 6.798 -10.420 1.00 0.00 C ATOM 343 NZ LYS A 471 1.019 8.264 -10.295 1.00 0.00 N ATOM 0 H LYS A 471 3.359 4.619 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 471 0.683 5.241 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 471 2.728 6.177 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.033 4.616 -7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 471 0.829 4.773 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 471 0.593 6.365 -7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 471 2.771 7.085 -8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 471 2.837 5.526 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 471 1.700 6.583 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 471 0.297 6.274 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 0.398 8.584 -11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 0.569 8.467 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 1.928 8.766 -10.353 1.00 0.00 H new ATOM 357 N ASP A 472 1.705 2.236 -6.399 1.00 0.00 N ATOM 358 CA ASP A 472 1.251 0.925 -6.851 1.00 0.00 C ATOM 359 C ASP A 472 0.120 0.404 -5.971 1.00 0.00 C ATOM 360 O ASP A 472 -0.813 -0.236 -6.455 1.00 0.00 O ATOM 361 CB ASP A 472 2.413 -0.069 -6.848 1.00 0.00 C ATOM 362 CG ASP A 472 3.470 0.271 -7.882 1.00 0.00 C ATOM 363 OD1 ASP A 472 3.176 1.079 -8.788 1.00 0.00 O ATOM 364 OD2 ASP A 472 4.591 -0.271 -7.785 1.00 0.00 O ATOM 0 H ASP A 472 2.687 2.270 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 472 0.874 1.032 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 472 2.870 -0.086 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.030 -1.071 -7.040 1.00 0.00 H new ATOM 369 N LEU A 473 0.210 0.682 -4.675 1.00 0.00 N ATOM 370 CA LEU A 473 -0.805 0.240 -3.726 1.00 0.00 C ATOM 371 C LEU A 473 -2.174 0.809 -4.085 1.00 0.00 C ATOM 372 O LEU A 473 -3.188 0.118 -3.993 1.00 0.00 O ATOM 373 CB LEU A 473 -0.423 0.659 -2.305 1.00 0.00 C ATOM 374 CG LEU A 473 0.820 -0.030 -1.738 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.250 0.632 -0.438 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.554 -1.513 -1.520 1.00 0.00 C ATOM 0 H LEU A 473 0.975 1.211 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.860 -0.848 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.260 1.737 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.266 0.456 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 473 1.630 0.072 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.135 0.129 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.480 1.681 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.443 0.561 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.448 -1.988 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.270 -1.635 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.293 -1.979 -2.470 1.00 0.00 H new ATOM 388 N LEU A 474 -2.195 2.074 -4.493 1.00 0.00 N ATOM 389 CA LEU A 474 -3.440 2.736 -4.866 1.00 0.00 C ATOM 390 C LEU A 474 -4.114 2.016 -6.029 1.00 0.00 C ATOM 391 O LEU A 474 -5.326 1.800 -6.019 1.00 0.00 O ATOM 392 CB LEU A 474 -3.173 4.195 -5.240 1.00 0.00 C ATOM 393 CG LEU A 474 -3.136 5.170 -4.063 1.00 0.00 C ATOM 394 CD1 LEU A 474 -4.530 5.361 -3.483 1.00 0.00 C ATOM 395 CD2 LEU A 474 -2.172 4.678 -2.993 1.00 0.00 C ATOM 0 H LEU A 474 -1.365 2.661 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.110 2.704 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.221 4.250 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -3.944 4.522 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 474 -2.782 6.135 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -4.484 6.058 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -5.192 5.760 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -4.914 4.402 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -2.158 5.384 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -2.495 3.701 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -1.171 4.596 -3.416 1.00 0.00 H new ATOM 407 N LYS A 475 -3.321 1.648 -7.029 1.00 0.00 N ATOM 408 CA LYS A 475 -3.841 0.953 -8.201 1.00 0.00 C ATOM 409 C LYS A 475 -4.517 -0.355 -7.804 1.00 0.00 C ATOM 410 O LYS A 475 -5.564 -0.714 -8.344 1.00 0.00 O ATOM 411 CB LYS A 475 -2.715 0.677 -9.198 1.00 0.00 C ATOM 412 CG LYS A 475 -3.200 0.107 -10.521 1.00 0.00 C ATOM 413 CD LYS A 475 -2.040 -0.193 -11.457 1.00 0.00 C ATOM 414 CE LYS A 475 -2.530 -0.590 -12.841 1.00 0.00 C ATOM 415 NZ LYS A 475 -1.677 -0.014 -13.918 1.00 0.00 N ATOM 0 H LYS A 475 -2.316 1.819 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.584 1.596 -8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -2.174 1.604 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.007 -0.020 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.767 -0.806 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.879 0.815 -10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.398 0.684 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.433 -0.997 -11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -2.537 -1.677 -12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -3.558 -0.253 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -2.044 -0.308 -14.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.690 1.024 -13.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -0.701 -0.356 -13.808 1.00 0.00 H new ATOM 429 N LYS A 476 -3.912 -1.065 -6.857 1.00 0.00 N ATOM 430 CA LYS A 476 -4.456 -2.334 -6.387 1.00 0.00 C ATOM 431 C LYS A 476 -5.854 -2.144 -5.807 1.00 0.00 C ATOM 432 O LYS A 476 -6.728 -2.994 -5.978 1.00 0.00 O ATOM 433 CB LYS A 476 -3.534 -2.951 -5.335 1.00 0.00 C ATOM 434 CG LYS A 476 -2.126 -3.219 -5.842 1.00 0.00 C ATOM 435 CD LYS A 476 -2.123 -4.256 -6.954 1.00 0.00 C ATOM 436 CE LYS A 476 -0.708 -4.631 -7.361 1.00 0.00 C ATOM 437 NZ LYS A 476 -0.683 -5.404 -8.634 1.00 0.00 N ATOM 0 H LYS A 476 -3.045 -0.783 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.524 -3.010 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.481 -2.284 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.970 -3.887 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.687 -2.291 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -1.501 -3.565 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -2.656 -5.147 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.660 -3.866 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -0.111 -3.726 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -0.247 -5.221 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 0.300 -5.641 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -1.232 -6.280 -8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -1.100 -4.832 -9.396 1.00 0.00 H new ATOM 451 N PHE A 477 -6.058 -1.024 -5.122 1.00 0.00 N ATOM 452 CA PHE A 477 -7.351 -0.722 -4.518 1.00 0.00 C ATOM 453 C PHE A 477 -8.137 0.265 -5.376 1.00 0.00 C ATOM 454 O PHE A 477 -8.975 1.012 -4.869 1.00 0.00 O ATOM 455 CB PHE A 477 -7.160 -0.152 -3.111 1.00 0.00 C ATOM 456 CG PHE A 477 -6.501 -1.110 -2.159 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.222 -2.147 -1.590 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.161 -0.972 -1.835 1.00 0.00 C ATOM 459 CE1 PHE A 477 -6.619 -3.030 -0.715 1.00 0.00 C ATOM 460 CE2 PHE A 477 -4.552 -1.851 -0.960 1.00 0.00 C ATOM 461 CZ PHE A 477 -5.282 -2.882 -0.399 1.00 0.00 C ATOM 0 H PHE A 477 -5.345 -0.310 -4.971 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.918 -1.651 -4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.560 0.756 -3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.132 0.136 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.267 -2.267 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.586 -0.168 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -7.192 -3.835 -0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.507 -1.733 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 477 -4.808 -3.571 0.285 1.00 0.00 H new ATOM 471 N GLN A 478 -7.862 0.265 -6.677 1.00 0.00 N ATOM 472 CA GLN A 478 -8.544 1.161 -7.602 1.00 0.00 C ATOM 473 C GLN A 478 -9.634 0.423 -8.373 1.00 0.00 C ATOM 474 O GLN A 478 -9.369 -0.581 -9.034 1.00 0.00 O ATOM 475 CB GLN A 478 -7.541 1.778 -8.579 1.00 0.00 C ATOM 476 CG GLN A 478 -8.150 2.824 -9.498 1.00 0.00 C ATOM 477 CD GLN A 478 -7.130 3.443 -10.434 1.00 0.00 C ATOM 478 OE1 GLN A 478 -5.927 3.222 -10.293 1.00 0.00 O ATOM 479 NE2 GLN A 478 -7.607 4.224 -11.396 1.00 0.00 N ATOM 0 H GLN A 478 -7.171 -0.346 -7.113 1.00 0.00 H new ATOM 0 HA GLN A 478 -9.011 1.956 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -6.728 2.233 -8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.102 0.985 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -8.946 2.367 -10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -8.608 3.609 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -8.612 4.379 -11.476 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -6.968 4.669 -12.056 1.00 0.00 H new ATOM 488 N THR A 479 -10.860 0.928 -8.282 1.00 0.00 N ATOM 489 CA THR A 479 -11.994 0.320 -8.971 1.00 0.00 C ATOM 490 C THR A 479 -12.152 -1.146 -8.579 1.00 0.00 C ATOM 491 O THR A 479 -12.582 -1.971 -9.385 1.00 0.00 O ATOM 492 CB THR A 479 -11.825 0.437 -10.488 1.00 0.00 C ATOM 493 OG1 THR A 479 -10.934 -0.553 -10.972 1.00 0.00 O ATOM 494 CG2 THR A 479 -11.300 1.786 -10.932 1.00 0.00 C ATOM 0 H THR A 479 -11.094 1.758 -7.737 1.00 0.00 H new ATOM 0 HA THR A 479 -12.894 0.857 -8.670 1.00 0.00 H new ATOM 0 HB THR A 479 -12.825 0.303 -10.900 1.00 0.00 H new ATOM 0 HG1 THR A 479 -10.059 -0.442 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 479 -11.204 1.800 -12.018 1.00 0.00 H new ATOM 0 HG22 THR A 479 -11.993 2.567 -10.619 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.324 1.964 -10.480 1.00 0.00 H new ATOM 502 N LYS A 480 -11.803 -1.463 -7.336 1.00 0.00 N ATOM 503 CA LYS A 480 -11.909 -2.830 -6.839 1.00 0.00 C ATOM 504 C LYS A 480 -13.316 -3.111 -6.320 1.00 0.00 C ATOM 505 O LYS A 480 -14.073 -3.868 -6.928 1.00 0.00 O ATOM 506 CB LYS A 480 -10.883 -3.074 -5.731 1.00 0.00 C ATOM 507 CG LYS A 480 -10.860 -4.508 -5.227 1.00 0.00 C ATOM 508 CD LYS A 480 -9.697 -4.746 -4.279 1.00 0.00 C ATOM 509 CE LYS A 480 -9.840 -3.928 -3.005 1.00 0.00 C ATOM 510 NZ LYS A 480 -11.112 -4.230 -2.292 1.00 0.00 N ATOM 0 H LYS A 480 -11.445 -0.793 -6.656 1.00 0.00 H new ATOM 0 HA LYS A 480 -11.705 -3.509 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -9.892 -2.812 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.098 -2.408 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -11.798 -4.731 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -10.787 -5.191 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -9.642 -5.805 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -8.762 -4.487 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.997 -4.133 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -9.804 -2.866 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -10.944 -4.226 -1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -11.823 -3.509 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -11.459 -5.167 -2.582 1.00 0.00 H new ATOM 524 N LYS A 481 -13.660 -2.494 -5.194 1.00 0.00 N ATOM 525 CA LYS A 481 -14.977 -2.676 -4.594 1.00 0.00 C ATOM 526 C LYS A 481 -15.210 -1.665 -3.476 1.00 0.00 C ATOM 527 O LYS A 481 -15.887 -1.960 -2.491 1.00 0.00 O ATOM 528 CB LYS A 481 -15.123 -4.099 -4.051 1.00 0.00 C ATOM 529 CG LYS A 481 -14.165 -4.418 -2.915 1.00 0.00 C ATOM 530 CD LYS A 481 -14.737 -5.475 -1.985 1.00 0.00 C ATOM 531 CE LYS A 481 -14.704 -6.855 -2.623 1.00 0.00 C ATOM 532 NZ LYS A 481 -15.867 -7.687 -2.208 1.00 0.00 N ATOM 0 H LYS A 481 -13.045 -1.864 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.726 -2.513 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -16.146 -4.243 -3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -14.959 -4.807 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -13.217 -4.766 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -13.954 -3.510 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -14.168 -5.489 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -15.764 -5.217 -1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -14.699 -6.753 -3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -13.779 -7.361 -2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -15.807 -8.620 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -15.858 -7.806 -1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -16.750 -7.217 -2.494 1.00 0.00 H new ATOM 546 N THR A 482 -14.646 -0.472 -3.636 1.00 0.00 N ATOM 547 CA THR A 482 -14.793 0.582 -2.639 1.00 0.00 C ATOM 548 C THR A 482 -15.562 1.768 -3.212 1.00 0.00 C ATOM 549 O THR A 482 -16.364 2.394 -2.519 1.00 0.00 O ATOM 550 CB THR A 482 -13.419 1.041 -2.147 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.760 1.806 -3.140 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.505 -0.105 -1.768 1.00 0.00 C ATOM 0 H THR A 482 -14.083 -0.211 -4.446 1.00 0.00 H new ATOM 0 HA THR A 482 -15.357 0.178 -1.798 1.00 0.00 H new ATOM 0 HB THR A 482 -13.616 1.637 -1.256 1.00 0.00 H new ATOM 0 HG1 THR A 482 -11.884 2.091 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.548 0.290 -1.428 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.963 -0.686 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.346 -0.745 -2.635 1.00 0.00 H new ATOM 560 N GLY A 483 -15.311 2.072 -4.481 1.00 0.00 N ATOM 561 CA GLY A 483 -15.988 3.183 -5.126 1.00 0.00 C ATOM 562 C GLY A 483 -15.474 4.530 -4.655 1.00 0.00 C ATOM 563 O GLY A 483 -16.190 5.529 -4.714 1.00 0.00 O ATOM 0 H GLY A 483 -14.651 1.569 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -15.858 3.106 -6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.058 3.117 -4.928 1.00 0.00 H new ATOM 567 N LEU A 484 -14.230 4.557 -4.186 1.00 0.00 N ATOM 568 CA LEU A 484 -13.623 5.793 -3.704 1.00 0.00 C ATOM 569 C LEU A 484 -12.574 6.303 -4.686 1.00 0.00 C ATOM 570 O LEU A 484 -11.851 5.519 -5.301 1.00 0.00 O ATOM 571 CB LEU A 484 -12.986 5.571 -2.330 1.00 0.00 C ATOM 572 CG LEU A 484 -13.916 4.971 -1.274 1.00 0.00 C ATOM 573 CD1 LEU A 484 -13.144 4.657 -0.002 1.00 0.00 C ATOM 574 CD2 LEU A 484 -15.069 5.919 -0.978 1.00 0.00 C ATOM 0 H LEU A 484 -13.624 3.739 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.408 6.544 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.124 4.914 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.611 6.526 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 484 -14.328 4.041 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.821 4.231 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -12.352 3.942 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -12.705 5.573 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.720 5.476 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.676 6.865 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.638 6.096 -1.891 1.00 0.00 H new ATOM 586 N SER A 485 -12.496 7.622 -4.829 1.00 0.00 N ATOM 587 CA SER A 485 -11.535 8.238 -5.736 1.00 0.00 C ATOM 588 C SER A 485 -10.110 8.053 -5.224 1.00 0.00 C ATOM 589 O SER A 485 -9.896 7.750 -4.050 1.00 0.00 O ATOM 590 CB SER A 485 -11.840 9.727 -5.903 1.00 0.00 C ATOM 591 OG SER A 485 -11.476 10.456 -4.743 1.00 0.00 O ATOM 0 H SER A 485 -13.087 8.285 -4.328 1.00 0.00 H new ATOM 0 HA SER A 485 -11.621 7.747 -6.705 1.00 0.00 H new ATOM 0 HB2 SER A 485 -11.300 10.117 -6.766 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.903 9.863 -6.103 1.00 0.00 H new ATOM 0 HG SER A 485 -11.680 11.405 -4.876 1.00 0.00 H new ATOM 597 N SER A 486 -9.138 8.237 -6.112 1.00 0.00 N ATOM 598 CA SER A 486 -7.733 8.090 -5.749 1.00 0.00 C ATOM 599 C SER A 486 -7.358 9.048 -4.623 1.00 0.00 C ATOM 600 O SER A 486 -6.587 8.700 -3.728 1.00 0.00 O ATOM 601 CB SER A 486 -6.841 8.342 -6.966 1.00 0.00 C ATOM 602 OG SER A 486 -5.485 8.056 -6.673 1.00 0.00 O ATOM 0 H SER A 486 -9.298 8.488 -7.088 1.00 0.00 H new ATOM 0 HA SER A 486 -7.580 7.069 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 486 -7.174 7.723 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 486 -6.937 9.381 -7.282 1.00 0.00 H new ATOM 0 HG SER A 486 -4.936 8.224 -7.467 1.00 0.00 H new ATOM 608 N GLU A 487 -7.909 10.257 -4.672 1.00 0.00 N ATOM 609 CA GLU A 487 -7.633 11.265 -3.656 1.00 0.00 C ATOM 610 C GLU A 487 -8.081 10.787 -2.279 1.00 0.00 C ATOM 611 O GLU A 487 -7.429 11.063 -1.272 1.00 0.00 O ATOM 612 CB GLU A 487 -8.337 12.578 -4.007 1.00 0.00 C ATOM 613 CG GLU A 487 -8.014 13.715 -3.052 1.00 0.00 C ATOM 614 CD GLU A 487 -6.589 14.212 -3.198 1.00 0.00 C ATOM 615 OE1 GLU A 487 -6.011 14.045 -4.292 1.00 0.00 O ATOM 616 OE2 GLU A 487 -6.050 14.768 -2.217 1.00 0.00 O ATOM 0 H GLU A 487 -8.549 10.562 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.556 11.433 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -8.056 12.873 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -9.414 12.413 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -8.703 14.541 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -8.175 13.381 -2.027 1.00 0.00 H new ATOM 623 N GLN A 488 -9.198 10.067 -2.243 1.00 0.00 N ATOM 624 CA GLN A 488 -9.733 9.549 -0.989 1.00 0.00 C ATOM 625 C GLN A 488 -8.942 8.331 -0.521 1.00 0.00 C ATOM 626 O GLN A 488 -8.606 8.212 0.657 1.00 0.00 O ATOM 627 CB GLN A 488 -11.208 9.180 -1.154 1.00 0.00 C ATOM 628 CG GLN A 488 -12.086 10.351 -1.564 1.00 0.00 C ATOM 629 CD GLN A 488 -12.021 11.501 -0.578 1.00 0.00 C ATOM 630 OE1 GLN A 488 -12.152 11.307 0.630 1.00 0.00 O ATOM 631 NE2 GLN A 488 -11.819 12.709 -1.091 1.00 0.00 N ATOM 0 H GLN A 488 -9.750 9.829 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.643 10.330 -0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.295 8.392 -1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.579 8.770 -0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.779 10.704 -2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -13.118 10.012 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -11.716 12.824 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -11.767 13.522 -0.477 1.00 0.00 H new ATOM 640 N THR A 489 -8.651 7.429 -1.452 1.00 0.00 N ATOM 641 CA THR A 489 -7.902 6.218 -1.138 1.00 0.00 C ATOM 642 C THR A 489 -6.464 6.548 -0.749 1.00 0.00 C ATOM 643 O THR A 489 -5.938 6.015 0.228 1.00 0.00 O ATOM 644 CB THR A 489 -7.914 5.264 -2.333 1.00 0.00 C ATOM 645 OG1 THR A 489 -9.240 5.014 -2.762 1.00 0.00 O ATOM 646 CG2 THR A 489 -7.268 3.927 -2.039 1.00 0.00 C ATOM 0 H THR A 489 -8.923 7.514 -2.431 1.00 0.00 H new ATOM 0 HA THR A 489 -8.384 5.734 -0.289 1.00 0.00 H new ATOM 0 HB THR A 489 -7.336 5.766 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.592 5.808 -3.216 1.00 0.00 H new ATOM 0 HG21 THR A 489 -7.311 3.299 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 489 -6.228 4.081 -1.753 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.800 3.437 -1.223 1.00 0.00 H new ATOM 654 N VAL A 490 -5.833 7.427 -1.520 1.00 0.00 N ATOM 655 CA VAL A 490 -4.456 7.825 -1.256 1.00 0.00 C ATOM 656 C VAL A 490 -4.319 8.433 0.136 1.00 0.00 C ATOM 657 O VAL A 490 -3.408 8.093 0.891 1.00 0.00 O ATOM 658 CB VAL A 490 -3.948 8.826 -2.321 1.00 0.00 C ATOM 659 CG1 VAL A 490 -4.362 10.258 -1.999 1.00 0.00 C ATOM 660 CG2 VAL A 490 -2.439 8.721 -2.474 1.00 0.00 C ATOM 0 H VAL A 490 -6.254 7.877 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.843 6.925 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.415 8.561 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -3.985 10.928 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -5.449 10.323 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -3.948 10.548 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -2.099 9.432 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.960 8.945 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -2.174 7.710 -2.784 1.00 0.00 H new ATOM 670 N ASN A 491 -5.235 9.335 0.463 1.00 0.00 N ATOM 671 CA ASN A 491 -5.229 10.000 1.762 1.00 0.00 C ATOM 672 C ASN A 491 -5.282 8.981 2.896 1.00 0.00 C ATOM 673 O ASN A 491 -4.588 9.121 3.903 1.00 0.00 O ATOM 674 CB ASN A 491 -6.412 10.963 1.871 1.00 0.00 C ATOM 675 CG ASN A 491 -6.361 11.800 3.134 1.00 0.00 C ATOM 676 OD1 ASN A 491 -7.112 11.563 4.081 1.00 0.00 O ATOM 677 ND2 ASN A 491 -5.473 12.787 3.155 1.00 0.00 N ATOM 0 H ASN A 491 -5.994 9.624 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.301 10.565 1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -6.422 11.621 1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.342 10.395 1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -5.394 13.384 3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -4.870 12.948 2.348 1.00 0.00 H new ATOM 684 N VAL A 492 -6.109 7.955 2.724 1.00 0.00 N ATOM 685 CA VAL A 492 -6.251 6.911 3.733 1.00 0.00 C ATOM 686 C VAL A 492 -5.011 6.025 3.781 1.00 0.00 C ATOM 687 O VAL A 492 -4.540 5.658 4.858 1.00 0.00 O ATOM 688 CB VAL A 492 -7.488 6.032 3.463 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.693 5.031 4.590 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.727 6.896 3.277 1.00 0.00 C ATOM 0 H VAL A 492 -6.691 7.824 1.896 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.375 7.412 4.693 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.318 5.475 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.571 4.421 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.816 4.389 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.839 5.565 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.590 6.258 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.900 7.482 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.579 7.567 2.431 1.00 0.00 H new ATOM 700 N LEU A 493 -4.486 5.685 2.608 1.00 0.00 N ATOM 701 CA LEU A 493 -3.299 4.842 2.518 1.00 0.00 C ATOM 702 C LEU A 493 -2.105 5.509 3.194 1.00 0.00 C ATOM 703 O LEU A 493 -1.265 4.839 3.793 1.00 0.00 O ATOM 704 CB LEU A 493 -2.971 4.542 1.053 1.00 0.00 C ATOM 705 CG LEU A 493 -3.602 3.264 0.496 1.00 0.00 C ATOM 706 CD1 LEU A 493 -3.102 2.047 1.257 1.00 0.00 C ATOM 707 CD2 LEU A 493 -5.119 3.349 0.559 1.00 0.00 C ATOM 0 H LEU A 493 -4.863 5.980 1.707 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.508 3.905 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -3.297 5.385 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -1.889 4.471 0.946 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.307 3.160 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -3.561 1.148 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -2.019 1.977 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -3.367 2.142 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -5.552 2.432 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -5.434 3.477 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -5.461 4.199 -0.032 1.00 0.00 H new ATOM 719 N ALA A 494 -2.037 6.831 3.092 1.00 0.00 N ATOM 720 CA ALA A 494 -0.945 7.587 3.694 1.00 0.00 C ATOM 721 C ALA A 494 -0.970 7.471 5.214 1.00 0.00 C ATOM 722 O ALA A 494 0.076 7.422 5.861 1.00 0.00 O ATOM 723 CB ALA A 494 -1.019 9.047 3.272 1.00 0.00 C ATOM 0 H ALA A 494 -2.724 7.401 2.599 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.005 7.165 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.198 9.600 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.944 9.116 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.968 9.472 3.598 1.00 0.00 H new ATOM 729 N GLN A 495 -2.172 7.429 5.777 1.00 0.00 N ATOM 730 CA GLN A 495 -2.336 7.319 7.222 1.00 0.00 C ATOM 731 C GLN A 495 -2.155 5.877 7.686 1.00 0.00 C ATOM 732 O GLN A 495 -1.473 5.615 8.677 1.00 0.00 O ATOM 733 CB GLN A 495 -3.717 7.830 7.639 1.00 0.00 C ATOM 734 CG GLN A 495 -3.919 9.315 7.383 1.00 0.00 C ATOM 735 CD GLN A 495 -5.308 9.788 7.764 1.00 0.00 C ATOM 736 OE1 GLN A 495 -6.223 8.984 7.941 1.00 0.00 O ATOM 737 NE2 GLN A 495 -5.472 11.099 7.892 1.00 0.00 N ATOM 0 H GLN A 495 -3.047 7.469 5.255 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.569 7.932 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.481 7.270 7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.864 7.629 8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.179 9.881 7.948 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.744 9.525 6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -4.685 11.729 7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -6.385 11.476 8.147 1.00 0.00 H new ATOM 746 N ILE A 496 -2.772 4.946 6.966 1.00 0.00 N ATOM 747 CA ILE A 496 -2.681 3.531 7.306 1.00 0.00 C ATOM 748 C ILE A 496 -1.238 3.041 7.228 1.00 0.00 C ATOM 749 O ILE A 496 -0.756 2.344 8.120 1.00 0.00 O ATOM 750 CB ILE A 496 -3.582 2.675 6.383 1.00 0.00 C ATOM 751 CG1 ILE A 496 -4.049 1.417 7.115 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.871 2.306 5.086 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.221 0.730 6.448 1.00 0.00 C ATOM 0 H ILE A 496 -3.341 5.146 6.143 1.00 0.00 H new ATOM 0 HA ILE A 496 -3.032 3.419 8.332 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.453 3.275 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.217 0.716 7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -4.326 1.682 8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.536 1.705 4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.596 3.215 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.972 1.734 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.499 -0.154 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -6.068 1.415 6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.942 0.434 5.437 1.00 0.00 H new ATOM 765 N LEU A 497 -0.560 3.414 6.151 1.00 0.00 N ATOM 766 CA LEU A 497 0.829 3.018 5.943 1.00 0.00 C ATOM 767 C LEU A 497 1.742 3.669 6.976 1.00 0.00 C ATOM 768 O LEU A 497 2.746 3.086 7.386 1.00 0.00 O ATOM 769 CB LEU A 497 1.284 3.397 4.532 1.00 0.00 C ATOM 770 CG LEU A 497 0.599 2.627 3.402 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.056 3.148 2.048 1.00 0.00 C ATOM 772 CD2 LEU A 497 0.882 1.138 3.526 1.00 0.00 C ATOM 0 H LEU A 497 -0.949 3.991 5.406 1.00 0.00 H new ATOM 0 HA LEU A 497 0.893 1.936 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.108 4.462 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.360 3.239 4.459 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.477 2.780 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.558 2.588 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 497 0.803 4.204 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.135 3.025 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.387 0.605 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 497 1.957 0.966 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.505 0.774 4.482 1.00 0.00 H new ATOM 784 N LYS A 498 1.389 4.881 7.393 1.00 0.00 N ATOM 785 CA LYS A 498 2.179 5.611 8.379 1.00 0.00 C ATOM 786 C LYS A 498 2.302 4.818 9.676 1.00 0.00 C ATOM 787 O LYS A 498 3.394 4.674 10.226 1.00 0.00 O ATOM 788 CB LYS A 498 1.546 6.975 8.660 1.00 0.00 C ATOM 789 CG LYS A 498 2.362 7.841 9.606 1.00 0.00 C ATOM 790 CD LYS A 498 3.586 8.420 8.917 1.00 0.00 C ATOM 791 CE LYS A 498 4.360 9.347 9.841 1.00 0.00 C ATOM 792 NZ LYS A 498 4.904 10.528 9.116 1.00 0.00 N ATOM 0 H LYS A 498 0.562 5.378 7.064 1.00 0.00 H new ATOM 0 HA LYS A 498 3.178 5.758 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 498 1.414 7.506 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 498 0.553 6.825 9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.740 8.651 9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 498 2.674 7.248 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.235 7.610 8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 498 3.278 8.967 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 498 3.707 9.685 10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 498 5.179 8.797 10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 5.425 11.134 9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.547 10.208 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 4.121 11.068 8.695 1.00 0.00 H new ATOM 806 N ARG A 499 1.176 4.303 10.159 1.00 0.00 N ATOM 807 CA ARG A 499 1.159 3.523 11.391 1.00 0.00 C ATOM 808 C ARG A 499 1.967 2.239 11.233 1.00 0.00 C ATOM 809 O ARG A 499 2.703 1.841 12.136 1.00 0.00 O ATOM 810 CB ARG A 499 -0.279 3.189 11.789 1.00 0.00 C ATOM 811 CG ARG A 499 -0.390 2.468 13.122 1.00 0.00 C ATOM 812 CD ARG A 499 -1.832 2.108 13.443 1.00 0.00 C ATOM 813 NE ARG A 499 -1.966 1.521 14.774 1.00 0.00 N ATOM 814 CZ ARG A 499 -3.018 0.806 15.166 1.00 0.00 C ATOM 815 NH1 ARG A 499 -4.029 0.588 14.334 1.00 0.00 N ATOM 816 NH2 ARG A 499 -3.059 0.308 16.394 1.00 0.00 N ATOM 0 H ARG A 499 0.264 4.412 9.716 1.00 0.00 H new ATOM 0 HA ARG A 499 1.615 4.124 12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.858 4.111 11.835 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.728 2.570 11.012 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.216 1.562 13.098 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.013 3.100 13.913 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -2.452 3.002 13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -2.205 1.405 12.698 1.00 0.00 H new ATOM 0 HE ARG A 499 -1.209 1.668 15.442 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -4.002 0.969 13.388 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -4.832 0.039 14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -2.285 0.473 17.037 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -3.865 -0.240 16.695 1.00 0.00 H new ATOM 830 N LEU A 500 1.822 1.594 10.080 1.00 0.00 N ATOM 831 CA LEU A 500 2.536 0.353 9.802 1.00 0.00 C ATOM 832 C LEU A 500 4.044 0.578 9.812 1.00 0.00 C ATOM 833 O LEU A 500 4.805 -0.265 10.288 1.00 0.00 O ATOM 834 CB LEU A 500 2.102 -0.218 8.451 1.00 0.00 C ATOM 835 CG LEU A 500 2.725 -1.567 8.088 1.00 0.00 C ATOM 836 CD1 LEU A 500 2.148 -2.672 8.959 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.503 -1.875 6.615 1.00 0.00 C ATOM 0 H LEU A 500 1.216 1.910 9.323 1.00 0.00 H new ATOM 0 HA LEU A 500 2.289 -0.362 10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.017 -0.324 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.353 0.502 7.672 1.00 0.00 H new ATOM 0 HG LEU A 500 3.798 -1.513 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 500 2.603 -3.625 8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.357 -2.456 10.007 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.070 -2.728 8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 500 2.952 -2.838 6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.433 -1.911 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 500 2.964 -1.097 6.007 1.00 0.00 H new ATOM 849 N ASN A 501 4.468 1.719 9.283 1.00 0.00 N ATOM 850 CA ASN A 501 5.886 2.058 9.228 1.00 0.00 C ATOM 851 C ASN A 501 6.675 0.986 8.478 1.00 0.00 C ATOM 852 O ASN A 501 7.649 0.440 8.998 1.00 0.00 O ATOM 853 CB ASN A 501 6.445 2.228 10.642 1.00 0.00 C ATOM 854 CG ASN A 501 7.527 3.289 10.713 1.00 0.00 C ATOM 855 OD1 ASN A 501 7.403 4.270 11.446 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.595 3.096 9.948 1.00 0.00 N ATOM 0 H ASN A 501 3.850 2.426 8.885 1.00 0.00 H new ATOM 0 HA ASN A 501 5.989 3.000 8.689 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.634 2.494 11.321 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.850 1.276 10.986 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.355 3.776 9.953 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.655 2.268 9.356 1.00 0.00 H new ATOM 863 N PRO A 502 6.262 0.669 7.238 1.00 0.00 N ATOM 864 CA PRO A 502 6.934 -0.343 6.416 1.00 0.00 C ATOM 865 C PRO A 502 8.313 0.110 5.950 1.00 0.00 C ATOM 866 O PRO A 502 8.504 1.268 5.576 1.00 0.00 O ATOM 867 CB PRO A 502 5.994 -0.512 5.220 1.00 0.00 C ATOM 868 CG PRO A 502 5.262 0.782 5.129 1.00 0.00 C ATOM 869 CD PRO A 502 5.110 1.272 6.542 1.00 0.00 C ATOM 0 HA PRO A 502 7.110 -1.265 6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.550 -0.718 4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.308 -1.345 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.814 1.501 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.289 0.648 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.133 2.360 6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.164 0.952 6.979 1.00 0.00 H new ATOM 877 N GLU A 503 9.272 -0.810 5.972 1.00 0.00 N ATOM 878 CA GLU A 503 10.633 -0.506 5.549 1.00 0.00 C ATOM 879 C GLU A 503 10.672 -0.135 4.070 1.00 0.00 C ATOM 880 O GLU A 503 9.903 -0.663 3.268 1.00 0.00 O ATOM 881 CB GLU A 503 11.551 -1.701 5.812 1.00 0.00 C ATOM 882 CG GLU A 503 11.657 -2.076 7.281 1.00 0.00 C ATOM 883 CD GLU A 503 12.630 -3.214 7.525 1.00 0.00 C ATOM 884 OE1 GLU A 503 13.047 -3.861 6.542 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.974 -3.457 8.701 1.00 0.00 O ATOM 0 H GLU A 503 9.131 -1.773 6.279 1.00 0.00 H new ATOM 0 HA GLU A 503 10.985 0.347 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 503 11.183 -2.561 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.547 -1.474 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 503 11.974 -1.204 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 503 10.672 -2.360 7.652 1.00 0.00 H new ATOM 892 N ARG A 504 11.573 0.776 3.716 1.00 0.00 N ATOM 893 CA ARG A 504 11.711 1.216 2.333 1.00 0.00 C ATOM 894 C ARG A 504 13.147 1.043 1.848 1.00 0.00 C ATOM 895 O ARG A 504 14.097 1.296 2.587 1.00 0.00 O ATOM 896 CB ARG A 504 11.287 2.680 2.198 1.00 0.00 C ATOM 897 CG ARG A 504 12.080 3.627 3.084 1.00 0.00 C ATOM 898 CD ARG A 504 11.318 3.974 4.353 1.00 0.00 C ATOM 899 NE ARG A 504 12.213 4.204 5.485 1.00 0.00 N ATOM 900 CZ ARG A 504 12.888 5.335 5.678 1.00 0.00 C ATOM 901 NH1 ARG A 504 12.773 6.340 4.818 1.00 0.00 N ATOM 902 NH2 ARG A 504 13.681 5.461 6.733 1.00 0.00 N ATOM 0 H ARG A 504 12.218 1.223 4.368 1.00 0.00 H new ATOM 0 HA ARG A 504 11.061 0.598 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 504 11.400 2.988 1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.228 2.767 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 504 13.034 3.169 3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 504 12.305 4.540 2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 504 10.715 4.866 4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 504 10.629 3.165 4.595 1.00 0.00 H new ATOM 0 HE ARG A 504 12.327 3.454 6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 504 12.165 6.248 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 504 13.293 7.204 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 504 13.774 4.692 7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 504 14.199 6.327 6.881 1.00 0.00 H new ATOM 916 N LYS A 505 13.295 0.611 0.600 1.00 0.00 N ATOM 917 CA LYS A 505 14.615 0.403 0.015 1.00 0.00 C ATOM 918 C LYS A 505 14.718 1.080 -1.348 1.00 0.00 C ATOM 919 O LYS A 505 13.742 1.144 -2.096 1.00 0.00 O ATOM 920 CB LYS A 505 14.906 -1.092 -0.122 1.00 0.00 C ATOM 921 CG LYS A 505 14.943 -1.828 1.208 1.00 0.00 C ATOM 922 CD LYS A 505 15.357 -3.280 1.029 1.00 0.00 C ATOM 923 CE LYS A 505 15.275 -4.047 2.339 1.00 0.00 C ATOM 924 NZ LYS A 505 16.310 -5.113 2.425 1.00 0.00 N ATOM 0 H LYS A 505 12.518 0.398 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 505 15.354 0.850 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 505 14.145 -1.545 -0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 505 15.863 -1.223 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 505 15.640 -1.330 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.960 -1.784 1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 505 14.714 -3.754 0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 505 16.375 -3.324 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 505 15.396 -3.355 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 505 14.285 -4.493 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 16.220 -5.612 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 16.179 -5.788 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 17.255 -4.685 2.358 1.00 0.00 H new ATOM 938 N MET A 506 15.906 1.583 -1.666 1.00 0.00 N ATOM 939 CA MET A 506 16.136 2.254 -2.940 1.00 0.00 C ATOM 940 C MET A 506 16.651 1.272 -3.987 1.00 0.00 C ATOM 941 O MET A 506 17.817 0.878 -3.963 1.00 0.00 O ATOM 942 CB MET A 506 17.135 3.399 -2.763 1.00 0.00 C ATOM 943 CG MET A 506 16.626 4.519 -1.871 1.00 0.00 C ATOM 944 SD MET A 506 17.773 5.906 -1.774 1.00 0.00 S ATOM 945 CE MET A 506 16.941 6.953 -0.583 1.00 0.00 C ATOM 0 H MET A 506 16.724 1.539 -1.059 1.00 0.00 H new ATOM 0 HA MET A 506 15.185 2.660 -3.286 1.00 0.00 H new ATOM 0 HB2 MET A 506 18.059 3.002 -2.342 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.382 3.809 -3.742 1.00 0.00 H new ATOM 0 HG2 MET A 506 15.667 4.872 -2.249 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.449 4.128 -0.869 1.00 0.00 H new ATOM 0 HE1 MET A 506 17.530 7.855 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 506 15.957 7.227 -0.964 1.00 0.00 H new ATOM 0 HE3 MET A 506 16.828 6.415 0.358 1.00 0.00 H new ATOM 955 N ILE A 507 15.774 0.880 -4.905 1.00 0.00 N ATOM 956 CA ILE A 507 16.141 -0.056 -5.962 1.00 0.00 C ATOM 957 C ILE A 507 15.927 0.562 -7.339 1.00 0.00 C ATOM 958 O ILE A 507 14.813 0.950 -7.691 1.00 0.00 O ATOM 959 CB ILE A 507 15.326 -1.360 -5.864 1.00 0.00 C ATOM 960 CG1 ILE A 507 15.393 -1.925 -4.445 1.00 0.00 C ATOM 961 CG2 ILE A 507 15.836 -2.381 -6.871 1.00 0.00 C ATOM 962 CD1 ILE A 507 14.488 -3.117 -4.225 1.00 0.00 C ATOM 0 H ILE A 507 14.805 1.196 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 507 17.198 -0.286 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 507 14.285 -1.137 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 507 16.421 -2.214 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 507 15.125 -1.140 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 507 15.250 -3.297 -6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 507 15.740 -1.977 -7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 507 16.884 -2.601 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 507 14.588 -3.465 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 507 13.454 -2.828 -4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 507 14.770 -3.919 -4.908 1.00 0.00 H new ATOM 974 N ASN A 508 17.002 0.650 -8.116 1.00 0.00 N ATOM 975 CA ASN A 508 16.933 1.221 -9.457 1.00 0.00 C ATOM 976 C ASN A 508 16.365 2.637 -9.419 1.00 0.00 C ATOM 977 O ASN A 508 15.523 3.002 -10.240 1.00 0.00 O ATOM 978 CB ASN A 508 16.076 0.338 -10.366 1.00 0.00 C ATOM 979 CG ASN A 508 16.302 0.629 -11.836 1.00 0.00 C ATOM 980 OD1 ASN A 508 17.088 1.508 -12.193 1.00 0.00 O ATOM 981 ND2 ASN A 508 15.613 -0.108 -12.699 1.00 0.00 N ATOM 0 H ASN A 508 17.931 0.333 -7.840 1.00 0.00 H new ATOM 0 HA ASN A 508 17.946 1.268 -9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 508 16.301 -0.710 -10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 508 15.023 0.489 -10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 508 15.724 0.043 -13.702 1.00 0.00 H new ATOM 0 HD22 ASN A 508 14.973 -0.826 -12.359 1.00 0.00 H new ATOM 988 N ASP A 509 16.831 3.430 -8.460 1.00 0.00 N ATOM 989 CA ASP A 509 16.369 4.805 -8.313 1.00 0.00 C ATOM 990 C ASP A 509 14.867 4.849 -8.048 1.00 0.00 C ATOM 991 O ASP A 509 14.185 5.795 -8.442 1.00 0.00 O ATOM 992 CB ASP A 509 16.701 5.613 -9.569 1.00 0.00 C ATOM 993 CG ASP A 509 16.411 7.091 -9.398 1.00 0.00 C ATOM 994 OD1 ASP A 509 17.273 7.806 -8.844 1.00 0.00 O ATOM 995 OD2 ASP A 509 15.321 7.535 -9.818 1.00 0.00 O ATOM 0 H ASP A 509 17.528 3.144 -7.773 1.00 0.00 H new ATOM 0 HA ASP A 509 16.883 5.246 -7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.754 5.478 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.124 5.227 -10.409 1.00 0.00 H new ATOM 1000 N LYS A 510 14.360 3.819 -7.378 1.00 0.00 N ATOM 1001 CA LYS A 510 12.939 3.740 -7.060 1.00 0.00 C ATOM 1002 C LYS A 510 12.730 3.296 -5.616 1.00 0.00 C ATOM 1003 O LYS A 510 13.539 2.551 -5.061 1.00 0.00 O ATOM 1004 CB LYS A 510 12.234 2.771 -8.011 1.00 0.00 C ATOM 1005 CG LYS A 510 12.242 3.227 -9.460 1.00 0.00 C ATOM 1006 CD LYS A 510 11.435 2.289 -10.343 1.00 0.00 C ATOM 1007 CE LYS A 510 11.563 2.658 -11.812 1.00 0.00 C ATOM 1008 NZ LYS A 510 10.376 2.225 -12.600 1.00 0.00 N ATOM 0 H LYS A 510 14.912 3.028 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 510 12.509 4.734 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.714 1.795 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.202 2.642 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 510 11.832 4.235 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 510 13.269 3.275 -9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.775 1.264 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.386 2.323 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 510 11.687 3.737 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 510 12.460 2.197 -12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 10.503 2.495 -13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 10.272 1.192 -12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 9.523 2.684 -12.223 1.00 0.00 H new ATOM 1022 N MET A 511 11.640 3.757 -5.012 1.00 0.00 N ATOM 1023 CA MET A 511 11.325 3.406 -3.632 1.00 0.00 C ATOM 1024 C MET A 511 10.365 2.222 -3.577 1.00 0.00 C ATOM 1025 O MET A 511 9.319 2.227 -4.226 1.00 0.00 O ATOM 1026 CB MET A 511 10.716 4.605 -2.904 1.00 0.00 C ATOM 1027 CG MET A 511 11.691 5.755 -2.704 1.00 0.00 C ATOM 1028 SD MET A 511 11.327 7.171 -3.759 1.00 0.00 S ATOM 1029 CE MET A 511 12.915 7.998 -3.777 1.00 0.00 C ATOM 0 H MET A 511 10.960 4.374 -5.456 1.00 0.00 H new ATOM 0 HA MET A 511 12.253 3.122 -3.136 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.855 4.963 -3.469 1.00 0.00 H new ATOM 0 HB3 MET A 511 10.346 4.280 -1.932 1.00 0.00 H new ATOM 0 HG2 MET A 511 11.666 6.069 -1.661 1.00 0.00 H new ATOM 0 HG3 MET A 511 12.703 5.407 -2.908 1.00 0.00 H new ATOM 0 HE1 MET A 511 12.850 8.896 -4.391 1.00 0.00 H new ATOM 0 HE2 MET A 511 13.194 8.273 -2.760 1.00 0.00 H new ATOM 0 HE3 MET A 511 13.669 7.329 -4.191 1.00 0.00 H new ATOM 1039 N HIS A 512 10.727 1.209 -2.797 1.00 0.00 N ATOM 1040 CA HIS A 512 9.898 0.018 -2.656 1.00 0.00 C ATOM 1041 C HIS A 512 9.666 -0.312 -1.185 1.00 0.00 C ATOM 1042 O HIS A 512 10.538 -0.093 -0.344 1.00 0.00 O ATOM 1043 CB HIS A 512 10.552 -1.172 -3.360 1.00 0.00 C ATOM 1044 CG HIS A 512 10.576 -1.046 -4.851 1.00 0.00 C ATOM 1045 ND1 HIS A 512 11.569 -0.374 -5.534 1.00 0.00 N ATOM 1046 CD2 HIS A 512 9.722 -1.510 -5.794 1.00 0.00 C ATOM 1047 CE1 HIS A 512 11.323 -0.430 -6.831 1.00 0.00 C ATOM 1048 NE2 HIS A 512 10.209 -1.114 -7.015 1.00 0.00 N ATOM 0 H HIS A 512 11.589 1.189 -2.253 1.00 0.00 H new ATOM 0 HA HIS A 512 8.933 0.221 -3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.574 -1.282 -2.996 1.00 0.00 H new ATOM 0 HB3 HIS A 512 10.017 -2.082 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 512 8.825 -2.085 -5.618 1.00 0.00 H new ATOM 0 HE1 HIS A 512 11.930 0.009 -7.609 1.00 0.00 H new ATOM 0 HE2 HIS A 512 9.780 -1.316 -7.918 1.00 0.00 H new ATOM 1057 N PHE A 513 8.485 -0.840 -0.881 1.00 0.00 N ATOM 1058 CA PHE A 513 8.139 -1.201 0.489 1.00 0.00 C ATOM 1059 C PHE A 513 8.043 -2.715 0.644 1.00 0.00 C ATOM 1060 O PHE A 513 7.484 -3.402 -0.210 1.00 0.00 O ATOM 1061 CB PHE A 513 6.815 -0.549 0.891 1.00 0.00 C ATOM 1062 CG PHE A 513 6.865 0.952 0.905 1.00 0.00 C ATOM 1063 CD1 PHE A 513 6.561 1.679 -0.235 1.00 0.00 C ATOM 1064 CD2 PHE A 513 7.215 1.636 2.058 1.00 0.00 C ATOM 1065 CE1 PHE A 513 6.605 3.061 -0.225 1.00 0.00 C ATOM 1066 CE2 PHE A 513 7.262 3.018 2.074 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.957 3.731 0.931 1.00 0.00 C ATOM 0 H PHE A 513 7.752 -1.027 -1.565 1.00 0.00 H new ATOM 0 HA PHE A 513 8.929 -0.836 1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.036 -0.872 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.530 -0.904 1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 513 6.287 1.160 -1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.454 1.083 2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 513 6.365 3.616 -1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.537 3.539 2.979 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.994 4.810 0.941 1.00 0.00 H new ATOM 1077 N SER A 514 8.592 -3.228 1.740 1.00 0.00 N ATOM 1078 CA SER A 514 8.568 -4.661 2.008 1.00 0.00 C ATOM 1079 C SER A 514 8.353 -4.933 3.493 1.00 0.00 C ATOM 1080 O SER A 514 8.884 -4.223 4.347 1.00 0.00 O ATOM 1081 CB SER A 514 9.872 -5.310 1.541 1.00 0.00 C ATOM 1082 OG SER A 514 9.821 -6.719 1.684 1.00 0.00 O ATOM 0 H SER A 514 9.059 -2.673 2.457 1.00 0.00 H new ATOM 0 HA SER A 514 7.736 -5.096 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.056 -5.054 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.707 -4.913 2.119 1.00 0.00 H new ATOM 0 HG SER A 514 10.666 -7.110 1.377 1.00 0.00 H new ATOM 1088 N LEU A 515 7.572 -5.966 3.794 1.00 0.00 N ATOM 1089 CA LEU A 515 7.287 -6.330 5.176 1.00 0.00 C ATOM 1090 C LEU A 515 7.498 -7.825 5.400 1.00 0.00 C ATOM 1091 O LEU A 515 6.914 -8.655 4.704 1.00 0.00 O ATOM 1092 CB LEU A 515 5.852 -5.940 5.542 1.00 0.00 C ATOM 1093 CG LEU A 515 5.722 -5.016 6.755 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.654 -3.961 6.512 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.403 -5.821 8.006 1.00 0.00 C ATOM 0 H LEU A 515 7.126 -6.565 3.099 1.00 0.00 H new ATOM 0 HA LEU A 515 7.978 -5.786 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.394 -5.452 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.282 -6.849 5.734 1.00 0.00 H new ATOM 0 HG LEU A 515 6.676 -4.510 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 515 4.576 -3.314 7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.924 -3.364 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.695 -4.448 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.314 -5.148 8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 515 4.463 -6.355 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 515 6.203 -6.538 8.191 1.00 0.00 H new ATOM 1107 N LYS A 516 8.335 -8.159 6.376 1.00 0.00 N ATOM 1108 CA LYS A 516 8.623 -9.553 6.692 1.00 0.00 C ATOM 1109 C LYS A 516 7.686 -10.068 7.780 1.00 0.00 C ATOM 1110 O LYS A 516 7.526 -9.437 8.825 1.00 0.00 O ATOM 1111 CB LYS A 516 10.077 -9.707 7.139 1.00 0.00 C ATOM 1112 CG LYS A 516 10.521 -11.154 7.275 1.00 0.00 C ATOM 1113 CD LYS A 516 11.953 -11.253 7.777 1.00 0.00 C ATOM 1114 CE LYS A 516 12.452 -12.688 7.759 1.00 0.00 C ATOM 1115 NZ LYS A 516 12.908 -13.102 6.403 1.00 0.00 N ATOM 0 H LYS A 516 8.826 -7.484 6.962 1.00 0.00 H new ATOM 0 HA LYS A 516 8.464 -10.145 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.724 -9.203 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.209 -9.203 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 516 9.856 -11.676 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 516 10.437 -11.654 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 516 12.601 -10.634 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 516 12.012 -10.859 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 516 13.274 -12.795 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 516 11.656 -13.353 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 13.240 -14.087 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 12.117 -13.025 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.685 -12.484 6.094 1.00 0.00 H new ATOM 1129 N GLU A 517 7.070 -11.218 7.528 1.00 0.00 N ATOM 1130 CA GLU A 517 6.148 -11.819 8.486 1.00 0.00 C ATOM 1131 C GLU A 517 4.952 -10.906 8.737 1.00 0.00 C ATOM 1132 O GLU A 517 5.051 -9.702 8.423 1.00 0.00 O ATOM 1133 CB GLU A 517 6.867 -12.110 9.805 1.00 0.00 C ATOM 1134 CG GLU A 517 6.007 -12.851 10.816 1.00 0.00 C ATOM 1135 CD GLU A 517 5.693 -14.270 10.385 1.00 0.00 C ATOM 1136 OE1 GLU A 517 6.472 -14.835 9.589 1.00 0.00 O ATOM 1137 OE2 GLU A 517 4.668 -14.816 10.844 1.00 0.00 O ATOM 1138 OXT GLU A 517 3.925 -11.405 9.245 1.00 0.00 O ATOM 0 H GLU A 517 7.192 -11.753 6.668 1.00 0.00 H new ATOM 0 HA GLU A 517 5.785 -12.756 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 517 7.761 -12.699 9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 517 7.199 -11.169 10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 517 6.520 -12.872 11.778 1.00 0.00 H new ATOM 0 HG3 GLU A 517 5.075 -12.305 10.964 1.00 0.00 H new