USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 486 SER OG : rot 180:sc= -2.04 USER MOD Set 1.2: B 949 MET CE :methyl -103:sc= -0.44 (180deg=-5.64!) USER MOD Set 2.1: A 508 ASN :FLIP amide:sc= -0.129 F(o=-0.83,f=-0.13) USER MOD Set 2.2: A 510 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0297) USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.97) 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 -88:sc= -0.413 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -171:sc= -1.82 (180deg=-2.28) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 471 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.201) USER MOD Single : A 475 LYS NZ :NH3+ -128:sc= -1.29 (180deg=-1.5) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 169:sc= -0.0321 (180deg=-0.216) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= -0.134 USER MOD Single : A 488 GLN : amide:sc= 0.0644 K(o=0.064,f=-1.8) USER MOD Single : A 489 THR OG1 : rot 77:sc= 1.17 USER MOD Single : A 491 ASN : amide:sc= -0.0741 K(o=-0.074,f=-1.2) USER MOD Single : A 495 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.16) USER MOD Single : A 498 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.29) USER MOD Single : A 501 ASN : amide:sc= -2.9! C(o=-2.9!,f=-4.8!) USER MOD Single : A 505 LYS NZ :NH3+ -165:sc= -0.182 (180deg=-0.604) USER MOD Single : A 506 MET CE :methyl 152:sc= -1.94 (180deg=-3.39!) USER MOD Single : A 511 MET CE :methyl -177:sc= -1.39 (180deg=-1.45) USER MOD Single : A 512 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.9) 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 Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 961 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N GLN A 453 -13.548 7.170 3.574 1.00 0.00 N ATOM 30 CA GLN A 453 -12.762 6.047 4.072 1.00 0.00 C ATOM 31 C GLN A 453 -12.263 5.180 2.920 1.00 0.00 C ATOM 32 O GLN A 453 -12.787 5.246 1.808 1.00 0.00 O ATOM 33 CB GLN A 453 -13.593 5.203 5.038 1.00 0.00 C ATOM 34 CG GLN A 453 -14.023 5.955 6.288 1.00 0.00 C ATOM 35 CD GLN A 453 -14.882 5.110 7.209 1.00 0.00 C ATOM 36 OE1 GLN A 453 -15.407 4.072 6.808 1.00 0.00 O ATOM 37 NE2 GLN A 453 -15.030 5.555 8.452 1.00 0.00 N ATOM 0 HA GLN A 453 -11.898 6.448 4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -14.480 4.840 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -13.015 4.327 5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -13.138 6.290 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -14.577 6.848 5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -14.576 6.421 8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -15.598 5.030 9.117 1.00 0.00 H new ATOM 46 N VAL A 454 -11.248 4.367 3.194 1.00 0.00 N ATOM 47 CA VAL A 454 -10.679 3.486 2.183 1.00 0.00 C ATOM 48 C VAL A 454 -11.123 2.044 2.398 1.00 0.00 C ATOM 49 O VAL A 454 -11.099 1.538 3.521 1.00 0.00 O ATOM 50 CB VAL A 454 -9.140 3.545 2.188 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.570 2.766 1.012 1.00 0.00 C ATOM 52 CG2 VAL A 454 -8.661 4.989 2.162 1.00 0.00 C ATOM 0 H VAL A 454 -10.803 4.301 4.109 1.00 0.00 H new ATOM 0 HA VAL A 454 -11.045 3.835 1.217 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.781 3.083 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.482 2.820 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.883 1.724 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.936 3.195 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.571 5.011 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.031 5.479 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.038 5.513 3.040 1.00 0.00 H new ATOM 62 N THR A 455 -11.527 1.386 1.317 1.00 0.00 N ATOM 63 CA THR A 455 -11.976 0.000 1.388 1.00 0.00 C ATOM 64 C THR A 455 -10.851 -0.957 1.009 1.00 0.00 C ATOM 65 O THR A 455 -10.110 -0.714 0.057 1.00 0.00 O ATOM 66 CB THR A 455 -13.177 -0.216 0.465 1.00 0.00 C ATOM 67 OG1 THR A 455 -14.208 0.709 0.759 1.00 0.00 O ATOM 68 CG2 THR A 455 -13.765 -1.607 0.565 1.00 0.00 C ATOM 0 H THR A 455 -11.553 1.790 0.381 1.00 0.00 H new ATOM 0 HA THR A 455 -12.274 -0.207 2.416 1.00 0.00 H new ATOM 0 HB THR A 455 -12.795 -0.072 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 455 -14.966 0.556 0.157 1.00 0.00 H new ATOM 0 HG21 THR A 455 -14.613 -1.693 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 455 -13.007 -2.343 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 455 -14.099 -1.788 1.587 1.00 0.00 H new ATOM 76 N GLU A 456 -10.728 -2.045 1.762 1.00 0.00 N ATOM 77 CA GLU A 456 -9.694 -3.041 1.506 1.00 0.00 C ATOM 78 C GLU A 456 -9.836 -3.625 0.105 1.00 0.00 C ATOM 79 O GLU A 456 -8.843 -3.931 -0.555 1.00 0.00 O ATOM 80 CB GLU A 456 -9.765 -4.160 2.546 1.00 0.00 C ATOM 81 CG GLU A 456 -8.631 -5.167 2.436 1.00 0.00 C ATOM 82 CD GLU A 456 -8.771 -6.317 3.415 1.00 0.00 C ATOM 83 OE1 GLU A 456 -9.775 -6.348 4.157 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.875 -7.187 3.440 1.00 0.00 O ATOM 0 H GLU A 456 -11.332 -2.260 2.555 1.00 0.00 H new ATOM 0 HA GLU A 456 -8.725 -2.548 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -9.753 -3.719 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -10.716 -4.683 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -8.599 -5.562 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -7.682 -4.660 2.611 1.00 0.00 H new ATOM 91 N ASP A 457 -11.078 -3.776 -0.345 1.00 0.00 N ATOM 92 CA ASP A 457 -11.351 -4.324 -1.668 1.00 0.00 C ATOM 93 C ASP A 457 -10.711 -3.467 -2.756 1.00 0.00 C ATOM 94 O ASP A 457 -10.204 -3.985 -3.750 1.00 0.00 O ATOM 95 CB ASP A 457 -12.860 -4.421 -1.901 1.00 0.00 C ATOM 96 CG ASP A 457 -13.524 -5.431 -0.987 1.00 0.00 C ATOM 97 OD1 ASP A 457 -12.802 -6.266 -0.400 1.00 0.00 O ATOM 98 OD2 ASP A 457 -14.765 -5.388 -0.856 1.00 0.00 O ATOM 0 H ASP A 457 -11.911 -3.526 0.188 1.00 0.00 H new ATOM 0 HA ASP A 457 -10.917 -5.323 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -13.312 -3.442 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -13.047 -4.697 -2.939 1.00 0.00 H new ATOM 103 N ALA A 458 -10.737 -2.153 -2.559 1.00 0.00 N ATOM 104 CA ALA A 458 -10.158 -1.225 -3.522 1.00 0.00 C ATOM 105 C ALA A 458 -8.653 -1.434 -3.651 1.00 0.00 C ATOM 106 O ALA A 458 -8.123 -1.538 -4.757 1.00 0.00 O ATOM 107 CB ALA A 458 -10.460 0.211 -3.118 1.00 0.00 C ATOM 0 H ALA A 458 -11.153 -1.707 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 458 -10.610 -1.421 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -10.022 0.894 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -11.539 0.360 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -10.036 0.409 -2.134 1.00 0.00 H new ATOM 113 N VAL A 459 -7.970 -1.496 -2.513 1.00 0.00 N ATOM 114 CA VAL A 459 -6.526 -1.694 -2.498 1.00 0.00 C ATOM 115 C VAL A 459 -6.156 -3.076 -3.027 1.00 0.00 C ATOM 116 O VAL A 459 -5.243 -3.216 -3.840 1.00 0.00 O ATOM 117 CB VAL A 459 -5.952 -1.530 -1.077 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.432 -1.577 -1.105 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.442 -0.234 -0.450 1.00 0.00 C ATOM 0 H VAL A 459 -8.394 -1.412 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 459 -6.095 -0.932 -3.147 1.00 0.00 H new ATOM 0 HB VAL A 459 -6.306 -2.359 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -4.046 -1.459 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -4.105 -2.535 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -4.055 -0.770 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -6.027 -0.135 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -6.121 0.610 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.530 -0.246 -0.392 1.00 0.00 H new ATOM 129 N ARG A 460 -6.870 -4.093 -2.558 1.00 0.00 N ATOM 130 CA ARG A 460 -6.618 -5.465 -2.983 1.00 0.00 C ATOM 131 C ARG A 460 -6.813 -5.617 -4.488 1.00 0.00 C ATOM 132 O ARG A 460 -6.079 -6.353 -5.147 1.00 0.00 O ATOM 133 CB ARG A 460 -7.544 -6.429 -2.237 1.00 0.00 C ATOM 134 CG ARG A 460 -7.292 -7.892 -2.565 1.00 0.00 C ATOM 135 CD ARG A 460 -8.183 -8.808 -1.743 1.00 0.00 C ATOM 136 NE ARG A 460 -9.590 -8.682 -2.117 1.00 0.00 N ATOM 137 CZ ARG A 460 -10.600 -9.087 -1.351 1.00 0.00 C ATOM 138 NH1 ARG A 460 -10.364 -9.644 -0.169 1.00 0.00 N ATOM 139 NH2 ARG A 460 -11.850 -8.936 -1.767 1.00 0.00 N ATOM 0 H ARG A 460 -7.628 -3.993 -1.883 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.582 -5.707 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.422 -6.280 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -8.579 -6.185 -2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.472 -8.064 -3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.246 -8.134 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -7.863 -9.841 -1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.067 -8.573 -0.685 1.00 0.00 H new ATOM 0 HE ARG A 460 -9.811 -8.259 -3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.405 -9.763 0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -11.142 -9.953 0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -12.038 -8.509 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -12.624 -9.247 -1.180 1.00 0.00 H new ATOM 153 N ARG A 461 -7.809 -4.920 -5.025 1.00 0.00 N ATOM 154 CA ARG A 461 -8.103 -4.979 -6.453 1.00 0.00 C ATOM 155 C ARG A 461 -6.891 -4.568 -7.282 1.00 0.00 C ATOM 156 O ARG A 461 -6.601 -5.169 -8.317 1.00 0.00 O ATOM 157 CB ARG A 461 -9.293 -4.078 -6.787 1.00 0.00 C ATOM 158 CG ARG A 461 -9.690 -4.115 -8.254 1.00 0.00 C ATOM 159 CD ARG A 461 -10.890 -3.223 -8.531 1.00 0.00 C ATOM 160 NE ARG A 461 -12.126 -3.779 -7.983 1.00 0.00 N ATOM 161 CZ ARG A 461 -12.557 -3.557 -6.742 1.00 0.00 C ATOM 162 NH1 ARG A 461 -11.860 -2.790 -5.913 1.00 0.00 N ATOM 163 NH2 ARG A 461 -13.693 -4.103 -6.329 1.00 0.00 N ATOM 0 H ARG A 461 -8.427 -4.307 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 461 -8.353 -6.010 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -10.147 -4.378 -6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.050 -3.052 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -8.848 -3.794 -8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -9.923 -5.140 -8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -10.715 -2.237 -8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -11.000 -3.087 -9.607 1.00 0.00 H new ATOM 0 HE ARG A 461 -12.693 -4.373 -8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -10.987 -2.365 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.198 -2.626 -4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -14.235 -4.692 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -14.024 -3.934 -5.379 1.00 0.00 H new ATOM 177 N TYR A 462 -6.186 -3.539 -6.824 1.00 0.00 N ATOM 178 CA TYR A 462 -5.007 -3.046 -7.528 1.00 0.00 C ATOM 179 C TYR A 462 -3.883 -4.079 -7.505 1.00 0.00 C ATOM 180 O TYR A 462 -3.274 -4.370 -8.535 1.00 0.00 O ATOM 181 CB TYR A 462 -4.522 -1.737 -6.903 1.00 0.00 C ATOM 182 CG TYR A 462 -5.471 -0.578 -7.114 1.00 0.00 C ATOM 183 CD1 TYR A 462 -5.622 0.001 -8.368 1.00 0.00 C ATOM 184 CD2 TYR A 462 -6.213 -0.063 -6.059 1.00 0.00 C ATOM 185 CE1 TYR A 462 -6.487 1.061 -8.565 1.00 0.00 C ATOM 186 CE2 TYR A 462 -7.082 0.996 -6.248 1.00 0.00 C ATOM 187 CZ TYR A 462 -7.215 1.554 -7.502 1.00 0.00 C ATOM 188 OH TYR A 462 -8.077 2.608 -7.694 1.00 0.00 O ATOM 0 H TYR A 462 -6.410 -3.030 -5.969 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.288 -2.864 -8.565 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.377 -1.887 -5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.550 -1.481 -7.324 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -5.054 -0.383 -9.202 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -6.110 -0.497 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -6.592 1.501 -9.546 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -7.654 1.384 -5.418 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.513 2.833 -6.846 1.00 0.00 H new ATOM 198 N LEU A 463 -3.613 -4.629 -6.326 1.00 0.00 N ATOM 199 CA LEU A 463 -2.560 -5.627 -6.171 1.00 0.00 C ATOM 200 C LEU A 463 -2.925 -6.921 -6.889 1.00 0.00 C ATOM 201 O LEU A 463 -2.072 -7.564 -7.502 1.00 0.00 O ATOM 202 CB LEU A 463 -2.307 -5.905 -4.688 1.00 0.00 C ATOM 203 CG LEU A 463 -1.729 -4.728 -3.901 1.00 0.00 C ATOM 204 CD1 LEU A 463 -1.826 -4.986 -2.406 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.286 -4.473 -4.308 1.00 0.00 C ATOM 0 H LEU A 463 -4.108 -4.401 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.649 -5.230 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.246 -6.207 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -1.624 -6.750 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 463 -2.314 -3.838 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -1.410 -4.138 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -2.871 -5.118 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -1.267 -5.887 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 463 0.110 -3.632 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.312 -5.362 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.244 -4.242 -5.372 1.00 0.00 H new ATOM 217 N THR A 464 -4.196 -7.300 -6.811 1.00 0.00 N ATOM 218 CA THR A 464 -4.671 -8.515 -7.453 1.00 0.00 C ATOM 219 C THR A 464 -4.597 -8.393 -8.971 1.00 0.00 C ATOM 220 O THR A 464 -4.381 -9.379 -9.675 1.00 0.00 O ATOM 221 CB THR A 464 -6.107 -8.807 -7.022 1.00 0.00 C ATOM 222 OG1 THR A 464 -6.904 -7.639 -7.109 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.213 -9.330 -5.605 1.00 0.00 C ATOM 0 H THR A 464 -4.915 -6.780 -6.308 1.00 0.00 H new ATOM 0 HA THR A 464 -4.028 -9.339 -7.144 1.00 0.00 H new ATOM 0 HB THR A 464 -6.461 -9.579 -7.705 1.00 0.00 H new ATOM 0 HG1 THR A 464 -6.843 -7.138 -6.269 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.259 -9.517 -5.363 1.00 0.00 H new ATOM 0 HG22 THR A 464 -5.649 -10.259 -5.517 1.00 0.00 H new ATOM 0 HG23 THR A 464 -5.807 -8.592 -4.913 1.00 0.00 H new ATOM 231 N ARG A 465 -4.777 -7.174 -9.470 1.00 0.00 N ATOM 232 CA ARG A 465 -4.729 -6.922 -10.906 1.00 0.00 C ATOM 233 C ARG A 465 -3.291 -6.895 -11.405 1.00 0.00 C ATOM 234 O ARG A 465 -2.947 -7.558 -12.383 1.00 0.00 O ATOM 235 CB ARG A 465 -5.423 -5.599 -11.236 1.00 0.00 C ATOM 236 CG ARG A 465 -5.559 -5.340 -12.728 1.00 0.00 C ATOM 237 CD ARG A 465 -6.227 -4.003 -13.003 1.00 0.00 C ATOM 238 NE ARG A 465 -6.471 -3.796 -14.428 1.00 0.00 N ATOM 239 CZ ARG A 465 -7.334 -2.905 -14.911 1.00 0.00 C ATOM 240 NH1 ARG A 465 -8.036 -2.137 -14.087 1.00 0.00 N ATOM 241 NH2 ARG A 465 -7.497 -2.782 -16.221 1.00 0.00 N ATOM 0 H ARG A 465 -4.957 -6.346 -8.902 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.253 -7.734 -11.410 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.414 -5.595 -10.783 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -4.862 -4.781 -10.783 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -4.573 -5.358 -13.193 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -6.141 -6.140 -13.186 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -7.172 -3.952 -12.462 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -5.598 -3.198 -12.622 1.00 0.00 H new ATOM 0 HE ARG A 465 -5.949 -4.368 -15.092 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -7.916 -2.228 -13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -8.696 -1.456 -14.463 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -6.961 -3.370 -16.859 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -8.158 -2.099 -16.591 1.00 0.00 H new ATOM 255 N LYS A 466 -2.455 -6.122 -10.724 1.00 0.00 N ATOM 256 CA LYS A 466 -1.049 -6.004 -11.091 1.00 0.00 C ATOM 257 C LYS A 466 -0.176 -5.820 -9.851 1.00 0.00 C ATOM 258 O LYS A 466 -0.590 -5.186 -8.881 1.00 0.00 O ATOM 259 CB LYS A 466 -0.851 -4.827 -12.053 1.00 0.00 C ATOM 260 CG LYS A 466 -0.323 -5.239 -13.416 1.00 0.00 C ATOM 261 CD LYS A 466 0.574 -4.168 -14.014 1.00 0.00 C ATOM 262 CE LYS A 466 0.409 -4.080 -15.522 1.00 0.00 C ATOM 263 NZ LYS A 466 0.758 -2.729 -16.041 1.00 0.00 N ATOM 0 H LYS A 466 -2.726 -5.566 -9.913 1.00 0.00 H new ATOM 0 HA LYS A 466 -0.748 -6.926 -11.589 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -1.802 -4.310 -12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -0.159 -4.114 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 466 0.234 -6.172 -13.325 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -1.159 -5.431 -14.088 1.00 0.00 H new ATOM 0 HD2 LYS A 466 0.339 -3.203 -13.565 1.00 0.00 H new ATOM 0 HD3 LYS A 466 1.614 -4.387 -13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 466 1.042 -4.827 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.621 -4.316 -15.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.632 -2.710 -17.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 0.137 -2.018 -15.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 1.749 -2.513 -15.809 1.00 0.00 H new ATOM 277 N PRO A 467 1.049 -6.374 -9.866 1.00 0.00 N ATOM 278 CA PRO A 467 1.977 -6.264 -8.738 1.00 0.00 C ATOM 279 C PRO A 467 2.578 -4.868 -8.616 1.00 0.00 C ATOM 280 O PRO A 467 3.207 -4.370 -9.549 1.00 0.00 O ATOM 281 CB PRO A 467 3.063 -7.287 -9.075 1.00 0.00 C ATOM 282 CG PRO A 467 3.054 -7.366 -10.562 1.00 0.00 C ATOM 283 CD PRO A 467 1.626 -7.146 -10.984 1.00 0.00 C ATOM 0 HA PRO A 467 1.483 -6.444 -7.783 1.00 0.00 H new ATOM 0 HB2 PRO A 467 4.036 -6.970 -8.700 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.848 -8.256 -8.625 1.00 0.00 H new ATOM 0 HG2 PRO A 467 3.709 -6.611 -10.996 1.00 0.00 H new ATOM 0 HG3 PRO A 467 3.416 -8.336 -10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 467 1.566 -6.597 -11.924 1.00 0.00 H new ATOM 0 HD3 PRO A 467 1.102 -8.090 -11.132 1.00 0.00 H new ATOM 291 N MET A 468 2.379 -4.240 -7.462 1.00 0.00 N ATOM 292 CA MET A 468 2.903 -2.900 -7.222 1.00 0.00 C ATOM 293 C MET A 468 3.522 -2.796 -5.832 1.00 0.00 C ATOM 294 O MET A 468 3.232 -3.604 -4.950 1.00 0.00 O ATOM 295 CB MET A 468 1.791 -1.862 -7.377 1.00 0.00 C ATOM 296 CG MET A 468 1.171 -1.839 -8.765 1.00 0.00 C ATOM 297 SD MET A 468 0.006 -0.480 -8.984 1.00 0.00 S ATOM 298 CE MET A 468 -1.178 -0.838 -7.687 1.00 0.00 C ATOM 0 H MET A 468 1.859 -4.637 -6.679 1.00 0.00 H new ATOM 0 HA MET A 468 3.681 -2.704 -7.960 1.00 0.00 H new ATOM 0 HB2 MET A 468 1.011 -2.064 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 468 2.193 -0.874 -7.151 1.00 0.00 H new ATOM 0 HG2 MET A 468 1.962 -1.758 -9.511 1.00 0.00 H new ATOM 0 HG3 MET A 468 0.659 -2.784 -8.945 1.00 0.00 H new ATOM 0 HE1 MET A 468 -2.043 -0.183 -7.793 1.00 0.00 H new ATOM 0 HE2 MET A 468 -1.498 -1.877 -7.764 1.00 0.00 H new ATOM 0 HE3 MET A 468 -0.714 -0.672 -6.715 1.00 0.00 H new ATOM 308 N THR A 469 4.376 -1.795 -5.644 1.00 0.00 N ATOM 309 CA THR A 469 5.036 -1.582 -4.362 1.00 0.00 C ATOM 310 C THR A 469 4.180 -0.714 -3.446 1.00 0.00 C ATOM 311 O THR A 469 3.209 -0.098 -3.889 1.00 0.00 O ATOM 312 CB THR A 469 6.404 -0.931 -4.571 1.00 0.00 C ATOM 313 OG1 THR A 469 6.259 0.427 -4.948 1.00 0.00 O ATOM 314 CG2 THR A 469 7.237 -1.616 -5.632 1.00 0.00 C ATOM 0 H THR A 469 4.627 -1.118 -6.365 1.00 0.00 H new ATOM 0 HA THR A 469 5.173 -2.553 -3.887 1.00 0.00 H new ATOM 0 HB THR A 469 6.918 -1.023 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 469 7.144 0.827 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 469 8.194 -1.104 -5.730 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.408 -2.654 -5.346 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.710 -1.584 -6.585 1.00 0.00 H new ATOM 322 N THR A 470 4.544 -0.669 -2.169 1.00 0.00 N ATOM 323 CA THR A 470 3.809 0.124 -1.189 1.00 0.00 C ATOM 324 C THR A 470 3.698 1.579 -1.633 1.00 0.00 C ATOM 325 O THR A 470 2.633 2.190 -1.530 1.00 0.00 O ATOM 326 CB THR A 470 4.495 0.050 0.177 1.00 0.00 C ATOM 327 OG1 THR A 470 5.871 0.369 0.064 1.00 0.00 O ATOM 328 CG2 THR A 470 4.390 -1.313 0.826 1.00 0.00 C ATOM 0 H THR A 470 5.345 -1.173 -1.787 1.00 0.00 H new ATOM 0 HA THR A 470 2.804 -0.290 -1.109 1.00 0.00 H new ATOM 0 HB THR A 470 3.972 0.773 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.292 0.318 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.897 -1.297 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.340 -1.567 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.857 -2.059 0.183 1.00 0.00 H new ATOM 336 N LYS A 471 4.802 2.129 -2.125 1.00 0.00 N ATOM 337 CA LYS A 471 4.829 3.513 -2.585 1.00 0.00 C ATOM 338 C LYS A 471 3.785 3.749 -3.672 1.00 0.00 C ATOM 339 O LYS A 471 3.120 4.785 -3.694 1.00 0.00 O ATOM 340 CB LYS A 471 6.219 3.869 -3.116 1.00 0.00 C ATOM 341 CG LYS A 471 7.291 3.911 -2.040 1.00 0.00 C ATOM 342 CD LYS A 471 8.651 4.267 -2.620 1.00 0.00 C ATOM 343 CE LYS A 471 9.742 4.202 -1.563 1.00 0.00 C ATOM 344 NZ LYS A 471 9.996 5.533 -0.946 1.00 0.00 N ATOM 0 H LYS A 471 5.691 1.638 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 471 4.594 4.154 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 471 6.506 3.141 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 471 6.172 4.840 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 471 7.016 4.642 -1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 471 7.348 2.942 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 471 8.891 3.583 -3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 471 8.615 5.270 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 471 9.455 3.491 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 471 10.662 3.829 -2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 10.364 5.404 0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 10.693 6.053 -1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 9.108 6.073 -0.908 1.00 0.00 H new ATOM 358 N ASP A 472 3.647 2.782 -4.572 1.00 0.00 N ATOM 359 CA ASP A 472 2.685 2.886 -5.665 1.00 0.00 C ATOM 360 C ASP A 472 1.259 2.983 -5.133 1.00 0.00 C ATOM 361 O ASP A 472 0.449 3.758 -5.640 1.00 0.00 O ATOM 362 CB ASP A 472 2.812 1.681 -6.599 1.00 0.00 C ATOM 363 CG ASP A 472 4.143 1.650 -7.326 1.00 0.00 C ATOM 364 OD1 ASP A 472 4.827 2.696 -7.358 1.00 0.00 O ATOM 365 OD2 ASP A 472 4.501 0.582 -7.864 1.00 0.00 O ATOM 0 H ASP A 472 4.188 1.917 -4.567 1.00 0.00 H new ATOM 0 HA ASP A 472 2.906 3.796 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 472 2.695 0.764 -6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.003 1.704 -7.329 1.00 0.00 H new ATOM 370 N LEU A 473 0.960 2.190 -4.113 1.00 0.00 N ATOM 371 CA LEU A 473 -0.370 2.183 -3.514 1.00 0.00 C ATOM 372 C LEU A 473 -0.670 3.511 -2.827 1.00 0.00 C ATOM 373 O LEU A 473 -1.767 4.054 -2.957 1.00 0.00 O ATOM 374 CB LEU A 473 -0.494 1.037 -2.507 1.00 0.00 C ATOM 375 CG LEU A 473 -0.638 -0.354 -3.125 1.00 0.00 C ATOM 376 CD1 LEU A 473 0.719 -1.029 -3.244 1.00 0.00 C ATOM 377 CD2 LEU A 473 -1.589 -1.209 -2.299 1.00 0.00 C ATOM 0 H LEU A 473 1.620 1.543 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.096 2.038 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.385 1.043 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.357 1.226 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.055 -0.244 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.596 -2.018 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.371 -0.427 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 473 1.165 -1.127 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.679 -2.196 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -1.200 -1.311 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -2.569 -0.734 -2.265 1.00 0.00 H new ATOM 389 N LEU A 474 0.310 4.029 -2.093 1.00 0.00 N ATOM 390 CA LEU A 474 0.148 5.293 -1.384 1.00 0.00 C ATOM 391 C LEU A 474 -0.100 6.440 -2.357 1.00 0.00 C ATOM 392 O LEU A 474 -0.976 7.275 -2.136 1.00 0.00 O ATOM 393 CB LEU A 474 1.385 5.588 -0.536 1.00 0.00 C ATOM 394 CG LEU A 474 1.364 4.993 0.871 1.00 0.00 C ATOM 395 CD1 LEU A 474 0.324 5.693 1.732 1.00 0.00 C ATOM 396 CD2 LEU A 474 1.091 3.497 0.813 1.00 0.00 C ATOM 0 H LEU A 474 1.224 3.593 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 474 -0.720 5.203 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 474 2.264 5.211 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 474 1.501 6.669 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 474 2.343 5.147 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 474 0.324 5.255 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 474 0.563 6.754 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -0.662 5.572 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 474 1.080 3.090 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 474 0.125 3.322 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 474 1.873 3.007 0.233 1.00 0.00 H new ATOM 408 N LYS A 475 0.680 6.477 -3.432 1.00 0.00 N ATOM 409 CA LYS A 475 0.548 7.525 -4.439 1.00 0.00 C ATOM 410 C LYS A 475 -0.880 7.603 -4.973 1.00 0.00 C ATOM 411 O LYS A 475 -1.383 8.685 -5.272 1.00 0.00 O ATOM 412 CB LYS A 475 1.522 7.280 -5.593 1.00 0.00 C ATOM 413 CG LYS A 475 2.973 7.560 -5.235 1.00 0.00 C ATOM 414 CD LYS A 475 3.887 7.384 -6.437 1.00 0.00 C ATOM 415 CE LYS A 475 5.345 7.598 -6.064 1.00 0.00 C ATOM 416 NZ LYS A 475 5.882 6.473 -5.251 1.00 0.00 N ATOM 0 H LYS A 475 1.411 5.793 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 475 0.787 8.476 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 475 1.431 6.244 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 475 1.237 7.908 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 475 3.065 8.577 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 475 3.288 6.889 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 475 3.759 6.383 -6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 475 3.603 8.089 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 475 5.939 7.706 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 475 5.444 8.529 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 6.325 6.849 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 5.106 5.832 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 6.591 5.952 -5.805 1.00 0.00 H new ATOM 430 N LYS A 476 -1.528 6.447 -5.093 1.00 0.00 N ATOM 431 CA LYS A 476 -2.897 6.389 -5.594 1.00 0.00 C ATOM 432 C LYS A 476 -3.843 7.181 -4.696 1.00 0.00 C ATOM 433 O LYS A 476 -4.755 7.851 -5.179 1.00 0.00 O ATOM 434 CB LYS A 476 -3.366 4.937 -5.692 1.00 0.00 C ATOM 435 CG LYS A 476 -2.615 4.124 -6.734 1.00 0.00 C ATOM 436 CD LYS A 476 -2.843 4.669 -8.135 1.00 0.00 C ATOM 437 CE LYS A 476 -2.211 3.776 -9.190 1.00 0.00 C ATOM 438 NZ LYS A 476 -3.215 2.886 -9.838 1.00 0.00 N ATOM 0 H LYS A 476 -1.128 5.541 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 476 -2.910 6.837 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.250 4.460 -4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -4.430 4.923 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.549 4.135 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -2.940 3.084 -6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.913 4.755 -8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.425 5.673 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -1.731 4.394 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -1.430 3.169 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -2.744 2.293 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -3.656 2.278 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -3.947 3.465 -10.297 1.00 0.00 H new ATOM 452 N PHE A 477 -3.622 7.098 -3.388 1.00 0.00 N ATOM 453 CA PHE A 477 -4.458 7.808 -2.425 1.00 0.00 C ATOM 454 C PHE A 477 -3.621 8.737 -1.552 1.00 0.00 C ATOM 455 O PHE A 477 -3.932 8.949 -0.380 1.00 0.00 O ATOM 456 CB PHE A 477 -5.219 6.812 -1.547 1.00 0.00 C ATOM 457 CG PHE A 477 -6.317 6.089 -2.273 1.00 0.00 C ATOM 458 CD1 PHE A 477 -7.543 6.698 -2.485 1.00 0.00 C ATOM 459 CD2 PHE A 477 -6.123 4.799 -2.743 1.00 0.00 C ATOM 460 CE1 PHE A 477 -8.555 6.034 -3.153 1.00 0.00 C ATOM 461 CE2 PHE A 477 -7.132 4.131 -3.411 1.00 0.00 C ATOM 462 CZ PHE A 477 -8.349 4.750 -3.616 1.00 0.00 C ATOM 0 H PHE A 477 -2.872 6.547 -2.970 1.00 0.00 H new ATOM 0 HA PHE A 477 -5.173 8.413 -2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -4.516 6.081 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -5.645 7.342 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -7.710 7.702 -2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.173 4.311 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.506 6.520 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -6.969 3.126 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 477 -9.139 4.230 -4.138 1.00 0.00 H new ATOM 472 N GLN A 478 -2.558 9.287 -2.128 1.00 0.00 N ATOM 473 CA GLN A 478 -1.678 10.193 -1.399 1.00 0.00 C ATOM 474 C GLN A 478 -2.445 11.416 -0.908 1.00 0.00 C ATOM 475 O GLN A 478 -2.295 11.837 0.238 1.00 0.00 O ATOM 476 CB GLN A 478 -0.511 10.631 -2.286 1.00 0.00 C ATOM 477 CG GLN A 478 0.533 11.459 -1.554 1.00 0.00 C ATOM 478 CD GLN A 478 1.599 12.005 -2.483 1.00 0.00 C ATOM 479 OE1 GLN A 478 1.298 12.702 -3.452 1.00 0.00 O ATOM 480 NE2 GLN A 478 2.856 11.690 -2.190 1.00 0.00 N ATOM 0 H GLN A 478 -2.285 9.122 -3.097 1.00 0.00 H new ATOM 0 HA GLN A 478 -1.285 9.659 -0.533 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -0.032 9.746 -2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -0.900 11.210 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 478 0.042 12.287 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 478 1.005 10.846 -0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 478 3.060 11.109 -1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 478 3.617 12.029 -2.778 1.00 0.00 H new ATOM 489 N THR A 479 -3.270 11.980 -1.785 1.00 0.00 N ATOM 490 CA THR A 479 -4.064 13.154 -1.444 1.00 0.00 C ATOM 491 C THR A 479 -5.085 13.456 -2.537 1.00 0.00 C ATOM 492 O THR A 479 -5.394 14.615 -2.808 1.00 0.00 O ATOM 493 CB THR A 479 -3.156 14.366 -1.228 1.00 0.00 C ATOM 494 OG1 THR A 479 -1.985 14.263 -2.020 1.00 0.00 O ATOM 495 CG2 THR A 479 -2.723 14.541 0.212 1.00 0.00 C ATOM 0 H THR A 479 -3.406 11.642 -2.738 1.00 0.00 H new ATOM 0 HA THR A 479 -4.600 12.943 -0.519 1.00 0.00 H new ATOM 0 HB THR A 479 -3.754 15.230 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 479 -1.418 15.048 -1.869 1.00 0.00 H new ATOM 0 HG21 THR A 479 -2.081 15.418 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 479 -3.602 14.673 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 479 -2.173 13.658 0.537 1.00 0.00 H new ATOM 503 N LYS A 480 -5.603 12.403 -3.164 1.00 0.00 N ATOM 504 CA LYS A 480 -6.587 12.556 -4.229 1.00 0.00 C ATOM 505 C LYS A 480 -7.846 13.247 -3.716 1.00 0.00 C ATOM 506 O LYS A 480 -8.137 14.383 -4.090 1.00 0.00 O ATOM 507 CB LYS A 480 -6.946 11.191 -4.820 1.00 0.00 C ATOM 508 CG LYS A 480 -7.856 11.273 -6.035 1.00 0.00 C ATOM 509 CD LYS A 480 -7.099 11.736 -7.268 1.00 0.00 C ATOM 510 CE LYS A 480 -7.984 11.719 -8.504 1.00 0.00 C ATOM 511 NZ LYS A 480 -9.199 12.561 -8.328 1.00 0.00 N ATOM 0 H LYS A 480 -5.357 11.436 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 480 -6.146 13.178 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -6.029 10.672 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -7.432 10.589 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -8.300 10.296 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -8.676 11.961 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -6.719 12.744 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -6.235 11.092 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -7.416 12.077 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -8.281 10.694 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -9.678 12.675 -9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -9.845 12.102 -7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -8.924 13.495 -7.963 1.00 0.00 H new ATOM 525 N LYS A 481 -8.587 12.555 -2.859 1.00 0.00 N ATOM 526 CA LYS A 481 -9.816 13.104 -2.294 1.00 0.00 C ATOM 527 C LYS A 481 -10.240 12.328 -1.052 1.00 0.00 C ATOM 528 O LYS A 481 -11.428 12.233 -0.743 1.00 0.00 O ATOM 529 CB LYS A 481 -10.936 13.074 -3.336 1.00 0.00 C ATOM 530 CG LYS A 481 -12.123 13.954 -2.977 1.00 0.00 C ATOM 531 CD LYS A 481 -11.940 15.373 -3.489 1.00 0.00 C ATOM 532 CE LYS A 481 -12.774 15.629 -4.736 1.00 0.00 C ATOM 533 NZ LYS A 481 -12.049 16.472 -5.726 1.00 0.00 N ATOM 0 H LYS A 481 -8.360 11.613 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 481 -9.624 14.137 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -10.535 13.393 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -11.279 12.047 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -13.033 13.528 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -12.251 13.970 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -12.222 16.081 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -10.887 15.547 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -13.041 14.677 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -13.706 16.120 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -12.651 16.623 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -11.817 17.390 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -11.172 15.993 -6.014 1.00 0.00 H new ATOM 547 N THR A 482 -9.262 11.775 -0.340 1.00 0.00 N ATOM 548 CA THR A 482 -9.537 11.009 0.869 1.00 0.00 C ATOM 549 C THR A 482 -9.818 11.934 2.048 1.00 0.00 C ATOM 550 O THR A 482 -10.561 11.580 2.965 1.00 0.00 O ATOM 551 CB THR A 482 -8.357 10.092 1.195 1.00 0.00 C ATOM 552 OG1 THR A 482 -7.200 10.852 1.494 1.00 0.00 O ATOM 553 CG2 THR A 482 -8.006 9.145 0.069 1.00 0.00 C ATOM 0 H THR A 482 -8.273 11.844 -0.580 1.00 0.00 H new ATOM 0 HA THR A 482 -10.423 10.400 0.690 1.00 0.00 H new ATOM 0 HB THR A 482 -8.677 9.504 2.055 1.00 0.00 H new ATOM 0 HG1 THR A 482 -6.457 10.248 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 482 -7.161 8.524 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 482 -8.863 8.510 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 482 -7.740 9.718 -0.819 1.00 0.00 H new ATOM 561 N GLY A 483 -9.220 13.120 2.020 1.00 0.00 N ATOM 562 CA GLY A 483 -9.418 14.077 3.092 1.00 0.00 C ATOM 563 C GLY A 483 -8.670 13.699 4.357 1.00 0.00 C ATOM 564 O GLY A 483 -8.972 14.207 5.437 1.00 0.00 O ATOM 0 H GLY A 483 -8.601 13.436 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -9.089 15.062 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -10.483 14.154 3.313 1.00 0.00 H new ATOM 568 N LEU A 484 -7.695 12.805 4.225 1.00 0.00 N ATOM 569 CA LEU A 484 -6.905 12.362 5.368 1.00 0.00 C ATOM 570 C LEU A 484 -5.427 12.678 5.162 1.00 0.00 C ATOM 571 O LEU A 484 -4.917 12.608 4.044 1.00 0.00 O ATOM 572 CB LEU A 484 -7.091 10.859 5.591 1.00 0.00 C ATOM 573 CG LEU A 484 -8.542 10.403 5.751 1.00 0.00 C ATOM 574 CD1 LEU A 484 -8.603 8.913 6.046 1.00 0.00 C ATOM 575 CD2 LEU A 484 -9.231 11.196 6.851 1.00 0.00 C ATOM 0 H LEU A 484 -7.433 12.374 3.339 1.00 0.00 H new ATOM 0 HA LEU A 484 -7.254 12.899 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -6.649 10.325 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -6.534 10.568 6.482 1.00 0.00 H new ATOM 0 HG LEU A 484 -9.067 10.588 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -9.643 8.606 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.147 8.360 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -8.062 8.702 6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -10.263 10.859 6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -8.706 11.043 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -9.219 12.256 6.597 1.00 0.00 H new ATOM 587 N SER A 485 -4.744 13.023 6.248 1.00 0.00 N ATOM 588 CA SER A 485 -3.325 13.350 6.187 1.00 0.00 C ATOM 589 C SER A 485 -2.503 12.125 5.797 1.00 0.00 C ATOM 590 O SER A 485 -3.002 11.000 5.808 1.00 0.00 O ATOM 591 CB SER A 485 -2.845 13.892 7.534 1.00 0.00 C ATOM 592 OG SER A 485 -1.496 14.320 7.461 1.00 0.00 O ATOM 0 H SER A 485 -5.151 13.083 7.181 1.00 0.00 H new ATOM 0 HA SER A 485 -3.187 14.118 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 485 -3.478 14.725 7.841 1.00 0.00 H new ATOM 0 HB3 SER A 485 -2.944 13.119 8.296 1.00 0.00 H new ATOM 0 HG SER A 485 -1.214 14.664 8.334 1.00 0.00 H new ATOM 598 N SER A 486 -1.239 12.352 5.452 1.00 0.00 N ATOM 599 CA SER A 486 -0.346 11.267 5.058 1.00 0.00 C ATOM 600 C SER A 486 -0.254 10.211 6.155 1.00 0.00 C ATOM 601 O SER A 486 -0.235 9.012 5.875 1.00 0.00 O ATOM 602 CB SER A 486 1.046 11.816 4.745 1.00 0.00 C ATOM 603 OG SER A 486 2.011 10.779 4.714 1.00 0.00 O ATOM 0 H SER A 486 -0.810 13.277 5.437 1.00 0.00 H new ATOM 0 HA SER A 486 -0.756 10.799 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 486 1.029 12.330 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 486 1.326 12.554 5.496 1.00 0.00 H new ATOM 0 HG SER A 486 2.892 11.158 4.510 1.00 0.00 H new ATOM 609 N GLU A 487 -0.196 10.664 7.403 1.00 0.00 N ATOM 610 CA GLU A 487 -0.106 9.757 8.541 1.00 0.00 C ATOM 611 C GLU A 487 -1.408 8.982 8.724 1.00 0.00 C ATOM 612 O GLU A 487 -1.394 7.781 8.993 1.00 0.00 O ATOM 613 CB GLU A 487 0.222 10.536 9.816 1.00 0.00 C ATOM 614 CG GLU A 487 0.452 9.649 11.028 1.00 0.00 C ATOM 615 CD GLU A 487 1.730 8.839 10.923 1.00 0.00 C ATOM 616 OE1 GLU A 487 2.646 9.268 10.191 1.00 0.00 O ATOM 617 OE2 GLU A 487 1.815 7.776 11.575 1.00 0.00 O ATOM 0 H GLU A 487 -0.210 11.653 7.652 1.00 0.00 H new ATOM 0 HA GLU A 487 0.695 9.044 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 487 1.113 11.140 9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.594 11.226 10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 487 0.491 10.268 11.924 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -0.394 8.972 11.144 1.00 0.00 H new ATOM 624 N GLN A 488 -2.530 9.679 8.579 1.00 0.00 N ATOM 625 CA GLN A 488 -3.841 9.058 8.730 1.00 0.00 C ATOM 626 C GLN A 488 -4.098 8.048 7.617 1.00 0.00 C ATOM 627 O GLN A 488 -4.598 6.950 7.863 1.00 0.00 O ATOM 628 CB GLN A 488 -4.938 10.125 8.730 1.00 0.00 C ATOM 629 CG GLN A 488 -4.853 11.084 9.906 1.00 0.00 C ATOM 630 CD GLN A 488 -5.931 12.148 9.870 1.00 0.00 C ATOM 631 OE1 GLN A 488 -6.538 12.398 8.828 1.00 0.00 O ATOM 632 NE2 GLN A 488 -6.177 12.782 11.011 1.00 0.00 N ATOM 0 H GLN A 488 -2.558 10.674 8.357 1.00 0.00 H new ATOM 0 HA GLN A 488 -3.856 8.531 9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -4.880 10.694 7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.911 9.634 8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.935 10.521 10.836 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.874 11.564 9.909 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.650 12.543 11.851 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.893 13.508 11.047 1.00 0.00 H new ATOM 641 N THR A 489 -3.755 8.427 6.390 1.00 0.00 N ATOM 642 CA THR A 489 -3.951 7.554 5.238 1.00 0.00 C ATOM 643 C THR A 489 -3.128 6.277 5.377 1.00 0.00 C ATOM 644 O THR A 489 -3.621 5.178 5.122 1.00 0.00 O ATOM 645 CB THR A 489 -3.569 8.283 3.949 1.00 0.00 C ATOM 646 OG1 THR A 489 -4.250 9.520 3.851 1.00 0.00 O ATOM 647 CG2 THR A 489 -3.879 7.488 2.698 1.00 0.00 C ATOM 0 H THR A 489 -3.340 9.332 6.168 1.00 0.00 H new ATOM 0 HA THR A 489 -5.006 7.282 5.195 1.00 0.00 H new ATOM 0 HB THR A 489 -2.491 8.430 4.010 1.00 0.00 H new ATOM 0 HG1 THR A 489 -3.827 10.174 4.445 1.00 0.00 H new ATOM 0 HG21 THR A 489 -3.584 8.062 1.820 1.00 0.00 H new ATOM 0 HG22 THR A 489 -3.328 6.548 2.719 1.00 0.00 H new ATOM 0 HG23 THR A 489 -4.948 7.281 2.654 1.00 0.00 H new ATOM 655 N VAL A 490 -1.872 6.431 5.784 1.00 0.00 N ATOM 656 CA VAL A 490 -0.981 5.290 5.957 1.00 0.00 C ATOM 657 C VAL A 490 -1.380 4.462 7.173 1.00 0.00 C ATOM 658 O VAL A 490 -1.220 3.241 7.184 1.00 0.00 O ATOM 659 CB VAL A 490 0.485 5.742 6.113 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.414 4.539 6.172 1.00 0.00 C ATOM 661 CG2 VAL A 490 0.881 6.675 4.978 1.00 0.00 C ATOM 0 H VAL A 490 -1.449 7.334 6.000 1.00 0.00 H new ATOM 0 HA VAL A 490 -1.070 4.678 5.060 1.00 0.00 H new ATOM 0 HB VAL A 490 0.578 6.289 7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.444 4.879 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.146 3.913 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.319 3.961 5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 490 1.919 6.983 5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.771 6.156 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 490 0.237 7.555 4.989 1.00 0.00 H new ATOM 671 N ASN A 491 -1.897 5.133 8.198 1.00 0.00 N ATOM 672 CA ASN A 491 -2.316 4.457 9.421 1.00 0.00 C ATOM 673 C ASN A 491 -3.372 3.396 9.128 1.00 0.00 C ATOM 674 O ASN A 491 -3.310 2.283 9.651 1.00 0.00 O ATOM 675 CB ASN A 491 -2.863 5.472 10.426 1.00 0.00 C ATOM 676 CG ASN A 491 -3.048 4.877 11.808 1.00 0.00 C ATOM 677 OD1 ASN A 491 -2.798 3.691 12.023 1.00 0.00 O ATOM 678 ND2 ASN A 491 -3.487 5.700 12.753 1.00 0.00 N ATOM 0 H ASN A 491 -2.036 6.143 8.206 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.443 3.963 9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -2.182 6.321 10.487 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -3.819 5.855 10.068 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -3.630 5.356 13.703 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -3.681 6.676 12.529 1.00 0.00 H new ATOM 685 N VAL A 492 -4.343 3.748 8.291 1.00 0.00 N ATOM 686 CA VAL A 492 -5.413 2.825 7.931 1.00 0.00 C ATOM 687 C VAL A 492 -4.910 1.739 6.985 1.00 0.00 C ATOM 688 O VAL A 492 -5.143 0.551 7.209 1.00 0.00 O ATOM 689 CB VAL A 492 -6.592 3.562 7.268 1.00 0.00 C ATOM 690 CG1 VAL A 492 -7.757 2.612 7.036 1.00 0.00 C ATOM 691 CG2 VAL A 492 -7.023 4.749 8.117 1.00 0.00 C ATOM 0 H VAL A 492 -4.411 4.665 7.850 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.757 2.364 8.857 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.263 3.937 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.579 3.152 6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.439 1.798 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.089 2.203 7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -7.857 5.258 7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -7.333 4.399 9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -6.188 5.442 8.225 1.00 0.00 H new ATOM 701 N LEU A 493 -4.222 2.154 5.928 1.00 0.00 N ATOM 702 CA LEU A 493 -3.687 1.216 4.947 1.00 0.00 C ATOM 703 C LEU A 493 -2.652 0.292 5.580 1.00 0.00 C ATOM 704 O LEU A 493 -2.569 -0.888 5.242 1.00 0.00 O ATOM 705 CB LEU A 493 -3.060 1.973 3.775 1.00 0.00 C ATOM 706 CG LEU A 493 -4.057 2.639 2.827 1.00 0.00 C ATOM 707 CD1 LEU A 493 -3.405 3.807 2.102 1.00 0.00 C ATOM 708 CD2 LEU A 493 -4.602 1.627 1.830 1.00 0.00 C ATOM 0 H LEU A 493 -4.021 3.134 5.728 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.513 0.607 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.393 2.738 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.445 1.279 3.202 1.00 0.00 H new ATOM 0 HG LEU A 493 -4.890 3.023 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -4.129 4.269 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.064 4.543 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.554 3.447 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -5.310 2.118 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.780 1.213 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -5.106 0.823 2.366 1.00 0.00 H new ATOM 720 N ALA A 494 -1.863 0.836 6.499 1.00 0.00 N ATOM 721 CA ALA A 494 -0.834 0.059 7.176 1.00 0.00 C ATOM 722 C ALA A 494 -1.448 -1.065 8.001 1.00 0.00 C ATOM 723 O ALA A 494 -0.989 -2.206 7.954 1.00 0.00 O ATOM 724 CB ALA A 494 0.014 0.960 8.059 1.00 0.00 C ATOM 0 H ALA A 494 -1.917 1.812 6.792 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.196 -0.390 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.779 0.365 8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 494 0.492 1.725 7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.620 1.438 8.806 1.00 0.00 H new ATOM 730 N GLN A 495 -2.487 -0.733 8.755 1.00 0.00 N ATOM 731 CA GLN A 495 -3.167 -1.711 9.595 1.00 0.00 C ATOM 732 C GLN A 495 -3.976 -2.695 8.754 1.00 0.00 C ATOM 733 O GLN A 495 -3.992 -3.894 9.031 1.00 0.00 O ATOM 734 CB GLN A 495 -4.085 -1.004 10.595 1.00 0.00 C ATOM 735 CG GLN A 495 -3.341 -0.135 11.595 1.00 0.00 C ATOM 736 CD GLN A 495 -2.376 -0.931 12.453 1.00 0.00 C ATOM 737 OE1 GLN A 495 -2.738 -1.959 13.024 1.00 0.00 O ATOM 738 NE2 GLN A 495 -1.140 -0.456 12.549 1.00 0.00 N ATOM 0 H GLN A 495 -2.878 0.208 8.803 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.406 -2.271 10.139 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.797 -0.386 10.048 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.663 -1.753 11.136 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.792 0.640 11.060 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -4.061 0.371 12.238 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.883 0.400 12.058 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -0.447 -0.948 13.114 1.00 0.00 H new ATOM 747 N ILE A 496 -4.650 -2.181 7.730 1.00 0.00 N ATOM 748 CA ILE A 496 -5.464 -3.017 6.856 1.00 0.00 C ATOM 749 C ILE A 496 -4.593 -3.964 6.034 1.00 0.00 C ATOM 750 O ILE A 496 -4.902 -5.148 5.896 1.00 0.00 O ATOM 751 CB ILE A 496 -6.342 -2.154 5.917 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.663 -2.866 5.622 1.00 0.00 C ATOM 753 CG2 ILE A 496 -5.618 -1.816 4.618 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.703 -1.970 4.986 1.00 0.00 C ATOM 0 H ILE A 496 -4.648 -1.191 7.486 1.00 0.00 H new ATOM 0 HA ILE A 496 -6.119 -3.612 7.492 1.00 0.00 H new ATOM 0 HB ILE A 496 -6.551 -1.215 6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -7.471 -3.712 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -8.063 -3.271 6.551 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -6.267 -1.210 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.708 -1.260 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -5.360 -2.737 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -9.614 -2.541 4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.924 -1.138 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -8.322 -1.585 4.040 1.00 0.00 H new ATOM 766 N LEU A 497 -3.507 -3.429 5.492 1.00 0.00 N ATOM 767 CA LEU A 497 -2.587 -4.217 4.679 1.00 0.00 C ATOM 768 C LEU A 497 -1.775 -5.179 5.541 1.00 0.00 C ATOM 769 O LEU A 497 -1.486 -6.298 5.125 1.00 0.00 O ATOM 770 CB LEU A 497 -1.645 -3.298 3.899 1.00 0.00 C ATOM 771 CG LEU A 497 -2.284 -2.579 2.708 1.00 0.00 C ATOM 772 CD1 LEU A 497 -1.685 -1.192 2.536 1.00 0.00 C ATOM 773 CD2 LEU A 497 -2.112 -3.399 1.437 1.00 0.00 C ATOM 0 H LEU A 497 -3.240 -2.450 5.600 1.00 0.00 H new ATOM 0 HA LEU A 497 -3.180 -4.802 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -1.242 -2.550 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.802 -3.888 3.539 1.00 0.00 H new ATOM 0 HG LEU A 497 -3.350 -2.468 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -2.152 -0.697 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -1.861 -0.605 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 497 -0.612 -1.278 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -2.572 -2.874 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -1.050 -3.541 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -2.591 -4.370 1.563 1.00 0.00 H new ATOM 785 N LYS A 498 -1.408 -4.741 6.741 1.00 0.00 N ATOM 786 CA LYS A 498 -0.622 -5.572 7.652 1.00 0.00 C ATOM 787 C LYS A 498 -1.204 -6.980 7.761 1.00 0.00 C ATOM 788 O LYS A 498 -0.474 -7.968 7.713 1.00 0.00 O ATOM 789 CB LYS A 498 -0.558 -4.929 9.039 1.00 0.00 C ATOM 790 CG LYS A 498 0.241 -5.736 10.050 1.00 0.00 C ATOM 791 CD LYS A 498 -0.623 -6.783 10.737 1.00 0.00 C ATOM 792 CE LYS A 498 0.040 -8.151 10.724 1.00 0.00 C ATOM 793 NZ LYS A 498 -0.917 -9.236 11.080 1.00 0.00 N ATOM 0 H LYS A 498 -1.641 -3.818 7.107 1.00 0.00 H new ATOM 0 HA LYS A 498 0.386 -5.649 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 498 -0.117 -3.936 8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -1.572 -4.795 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.076 -6.225 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 498 0.666 -5.066 10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 498 -0.813 -6.480 11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 498 -1.590 -6.842 10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 498 0.455 -8.344 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 498 0.873 -8.157 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 -0.443 -9.930 11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 -1.731 -8.829 11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -1.246 -9.707 10.213 1.00 0.00 H new ATOM 807 N ARG A 499 -2.520 -7.065 7.908 1.00 0.00 N ATOM 808 CA ARG A 499 -3.191 -8.355 8.023 1.00 0.00 C ATOM 809 C ARG A 499 -3.367 -9.016 6.656 1.00 0.00 C ATOM 810 O ARG A 499 -3.649 -10.212 6.570 1.00 0.00 O ATOM 811 CB ARG A 499 -4.552 -8.186 8.700 1.00 0.00 C ATOM 812 CG ARG A 499 -4.463 -7.660 10.123 1.00 0.00 C ATOM 813 CD ARG A 499 -5.830 -7.616 10.786 1.00 0.00 C ATOM 814 NE ARG A 499 -5.791 -6.934 12.078 1.00 0.00 N ATOM 815 CZ ARG A 499 -6.738 -7.051 13.006 1.00 0.00 C ATOM 816 NH1 ARG A 499 -7.798 -7.819 12.790 1.00 0.00 N ATOM 817 NH2 ARG A 499 -6.624 -6.397 14.154 1.00 0.00 N ATOM 0 H ARG A 499 -3.143 -6.259 7.950 1.00 0.00 H new ATOM 0 HA ARG A 499 -2.563 -9.003 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -5.161 -7.504 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -5.066 -9.147 8.708 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -3.795 -8.294 10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -4.028 -6.661 10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -6.535 -7.107 10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -6.199 -8.632 10.924 1.00 0.00 H new ATOM 0 HE ARG A 499 -4.992 -6.334 12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -7.891 -8.324 11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -8.520 -7.904 13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -5.811 -5.805 14.325 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -7.349 -6.486 14.866 1.00 0.00 H new ATOM 831 N LEU A 500 -3.213 -8.234 5.592 1.00 0.00 N ATOM 832 CA LEU A 500 -3.368 -8.747 4.234 1.00 0.00 C ATOM 833 C LEU A 500 -2.457 -9.943 3.977 1.00 0.00 C ATOM 834 O LEU A 500 -2.864 -10.919 3.346 1.00 0.00 O ATOM 835 CB LEU A 500 -3.088 -7.645 3.211 1.00 0.00 C ATOM 836 CG LEU A 500 -3.342 -8.036 1.754 1.00 0.00 C ATOM 837 CD1 LEU A 500 -4.833 -8.145 1.483 1.00 0.00 C ATOM 838 CD2 LEU A 500 -2.698 -7.028 0.812 1.00 0.00 C ATOM 0 H LEU A 500 -2.981 -7.242 5.643 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.400 -9.082 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.706 -6.780 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -2.049 -7.332 3.312 1.00 0.00 H new ATOM 0 HG LEU A 500 -2.890 -9.011 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -4.994 -8.424 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -5.266 -8.905 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -5.310 -7.185 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -2.888 -7.321 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -3.121 -6.040 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -1.623 -7.000 0.989 1.00 0.00 H new ATOM 850 N ASN A 501 -1.226 -9.862 4.464 1.00 0.00 N ATOM 851 CA ASN A 501 -0.260 -10.943 4.281 1.00 0.00 C ATOM 852 C ASN A 501 -0.094 -11.286 2.800 1.00 0.00 C ATOM 853 O ASN A 501 -0.199 -12.449 2.408 1.00 0.00 O ATOM 854 CB ASN A 501 -0.703 -12.185 5.057 1.00 0.00 C ATOM 855 CG ASN A 501 0.464 -13.075 5.439 1.00 0.00 C ATOM 856 OD1 ASN A 501 1.533 -13.010 4.831 1.00 0.00 O ATOM 857 ND2 ASN A 501 0.265 -13.912 6.450 1.00 0.00 N ATOM 0 H ASN A 501 -0.871 -9.062 4.988 1.00 0.00 H new ATOM 0 HA ASN A 501 0.702 -10.604 4.665 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -1.232 -11.877 5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -1.409 -12.755 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 501 1.014 -14.535 6.751 1.00 0.00 H new ATOM 0 HD22 ASN A 501 -0.637 -13.932 6.925 1.00 0.00 H new ATOM 864 N PRO A 502 0.168 -10.275 1.954 1.00 0.00 N ATOM 865 CA PRO A 502 0.349 -10.478 0.514 1.00 0.00 C ATOM 866 C PRO A 502 1.714 -11.068 0.178 1.00 0.00 C ATOM 867 O PRO A 502 2.589 -11.162 1.038 1.00 0.00 O ATOM 868 CB PRO A 502 0.226 -9.063 -0.051 1.00 0.00 C ATOM 869 CG PRO A 502 0.710 -8.182 1.046 1.00 0.00 C ATOM 870 CD PRO A 502 0.312 -8.856 2.332 1.00 0.00 C ATOM 0 HA PRO A 502 -0.373 -11.185 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 502 0.827 -8.942 -0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.804 -8.831 -0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 502 1.791 -8.052 0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.266 -7.189 0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 502 1.069 -8.722 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.620 -8.450 2.725 1.00 0.00 H new ATOM 878 N GLU A 503 1.888 -11.464 -1.078 1.00 0.00 N ATOM 879 CA GLU A 503 3.149 -12.042 -1.528 1.00 0.00 C ATOM 880 C GLU A 503 4.132 -10.948 -1.930 1.00 0.00 C ATOM 881 O GLU A 503 3.738 -9.813 -2.192 1.00 0.00 O ATOM 882 CB GLU A 503 2.911 -12.988 -2.707 1.00 0.00 C ATOM 883 CG GLU A 503 3.881 -14.157 -2.755 1.00 0.00 C ATOM 884 CD GLU A 503 3.691 -15.120 -1.599 1.00 0.00 C ATOM 885 OE1 GLU A 503 2.574 -15.166 -1.042 1.00 0.00 O ATOM 886 OE2 GLU A 503 4.660 -15.827 -1.250 1.00 0.00 O ATOM 0 H GLU A 503 1.173 -11.395 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 503 3.577 -12.607 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 503 1.893 -13.374 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 503 2.989 -12.424 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 503 3.752 -14.693 -3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 503 4.903 -13.777 -2.743 1.00 0.00 H new ATOM 893 N ARG A 504 5.413 -11.298 -1.976 1.00 0.00 N ATOM 894 CA ARG A 504 6.451 -10.343 -2.345 1.00 0.00 C ATOM 895 C ARG A 504 7.336 -10.901 -3.456 1.00 0.00 C ATOM 896 O ARG A 504 7.834 -12.022 -3.362 1.00 0.00 O ATOM 897 CB ARG A 504 7.304 -9.989 -1.127 1.00 0.00 C ATOM 898 CG ARG A 504 8.072 -11.170 -0.557 1.00 0.00 C ATOM 899 CD ARG A 504 8.719 -10.826 0.775 1.00 0.00 C ATOM 900 NE ARG A 504 9.551 -11.916 1.278 1.00 0.00 N ATOM 901 CZ ARG A 504 10.767 -12.195 0.812 1.00 0.00 C ATOM 902 NH1 ARG A 504 11.295 -11.469 -0.166 1.00 0.00 N ATOM 903 NH2 ARG A 504 11.457 -13.204 1.326 1.00 0.00 N ATOM 0 H ARG A 504 5.757 -12.234 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 504 5.964 -9.440 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 504 8.011 -9.207 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 504 6.660 -9.576 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 504 7.396 -12.015 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 504 8.840 -11.482 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 504 9.327 -9.929 0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 504 7.944 -10.595 1.506 1.00 0.00 H new ATOM 0 HE ARG A 504 9.179 -12.497 2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 504 10.769 -10.692 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 504 12.227 -11.688 -0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 504 11.056 -13.765 2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 504 12.388 -13.419 0.970 1.00 0.00 H new ATOM 917 N LYS A 505 7.528 -10.109 -4.505 1.00 0.00 N ATOM 918 CA LYS A 505 8.354 -10.520 -5.635 1.00 0.00 C ATOM 919 C LYS A 505 9.378 -9.444 -5.978 1.00 0.00 C ATOM 920 O LYS A 505 9.125 -8.252 -5.797 1.00 0.00 O ATOM 921 CB LYS A 505 7.479 -10.816 -6.854 1.00 0.00 C ATOM 922 CG LYS A 505 6.573 -12.023 -6.675 1.00 0.00 C ATOM 923 CD LYS A 505 5.250 -11.636 -6.031 1.00 0.00 C ATOM 924 CE LYS A 505 4.346 -12.845 -5.849 1.00 0.00 C ATOM 925 NZ LYS A 505 4.299 -13.693 -7.072 1.00 0.00 N ATOM 0 H LYS A 505 7.122 -9.178 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 505 8.887 -11.428 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.866 -9.941 -7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.120 -10.979 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 505 6.386 -12.486 -7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.075 -12.768 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 505 5.437 -11.171 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 505 4.746 -10.893 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.701 -13.440 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 505 3.339 -12.511 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.496 -14.351 -7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.185 -13.088 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 5.184 -14.234 -7.154 1.00 0.00 H new ATOM 939 N MET A 506 10.535 -9.870 -6.472 1.00 0.00 N ATOM 940 CA MET A 506 11.597 -8.941 -6.839 1.00 0.00 C ATOM 941 C MET A 506 11.447 -8.488 -8.287 1.00 0.00 C ATOM 942 O MET A 506 11.695 -9.255 -9.218 1.00 0.00 O ATOM 943 CB MET A 506 12.966 -9.594 -6.636 1.00 0.00 C ATOM 944 CG MET A 506 14.131 -8.633 -6.808 1.00 0.00 C ATOM 945 SD MET A 506 15.731 -9.451 -6.674 1.00 0.00 S ATOM 946 CE MET A 506 16.832 -8.038 -6.643 1.00 0.00 C ATOM 0 H MET A 506 10.761 -10.852 -6.627 1.00 0.00 H new ATOM 0 HA MET A 506 11.520 -8.066 -6.194 1.00 0.00 H new ATOM 0 HB2 MET A 506 13.008 -10.027 -5.637 1.00 0.00 H new ATOM 0 HB3 MET A 506 13.076 -10.415 -7.344 1.00 0.00 H new ATOM 0 HG2 MET A 506 14.056 -8.148 -7.781 1.00 0.00 H new ATOM 0 HG3 MET A 506 14.064 -7.848 -6.054 1.00 0.00 H new ATOM 0 HE1 MET A 506 17.736 -8.293 -6.090 1.00 0.00 H new ATOM 0 HE2 MET A 506 17.097 -7.761 -7.663 1.00 0.00 H new ATOM 0 HE3 MET A 506 16.334 -7.199 -6.157 1.00 0.00 H new ATOM 956 N ILE A 507 11.040 -7.236 -8.471 1.00 0.00 N ATOM 957 CA ILE A 507 10.857 -6.679 -9.806 1.00 0.00 C ATOM 958 C ILE A 507 11.819 -5.521 -10.053 1.00 0.00 C ATOM 959 O ILE A 507 11.743 -4.488 -9.388 1.00 0.00 O ATOM 960 CB ILE A 507 9.414 -6.185 -10.016 1.00 0.00 C ATOM 961 CG1 ILE A 507 8.415 -7.266 -9.599 1.00 0.00 C ATOM 962 CG2 ILE A 507 9.195 -5.788 -11.469 1.00 0.00 C ATOM 963 CD1 ILE A 507 8.589 -8.571 -10.344 1.00 0.00 C ATOM 0 H ILE A 507 10.831 -6.588 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 507 11.065 -7.480 -10.515 1.00 0.00 H new ATOM 0 HB ILE A 507 9.253 -5.307 -9.391 1.00 0.00 H new ATOM 0 HG12 ILE A 507 8.518 -7.451 -8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 507 7.403 -6.896 -9.762 1.00 0.00 H new ATOM 0 HG21 ILE A 507 8.170 -5.441 -11.601 1.00 0.00 H new ATOM 0 HG22 ILE A 507 9.886 -4.988 -11.736 1.00 0.00 H new ATOM 0 HG23 ILE A 507 9.372 -6.650 -12.112 1.00 0.00 H new ATOM 0 HD11 ILE A 507 7.847 -9.290 -9.997 1.00 0.00 H new ATOM 0 HD12 ILE A 507 8.457 -8.400 -11.412 1.00 0.00 H new ATOM 0 HD13 ILE A 507 9.589 -8.964 -10.161 1.00 0.00 H new ATOM 975 N ASN A 508 12.721 -5.700 -11.012 1.00 0.00 N ATOM 976 CA ASN A 508 13.698 -4.668 -11.347 1.00 0.00 C ATOM 977 C ASN A 508 14.500 -4.257 -10.115 1.00 0.00 C ATOM 978 O ASN A 508 14.689 -3.069 -9.851 1.00 0.00 O ATOM 979 CB ASN A 508 12.996 -3.448 -11.946 1.00 0.00 C ATOM 980 CG ASN A 508 13.949 -2.550 -12.711 1.00 0.00 C ATOM 981 OD1 ASN A 508 13.997 -1.278 -12.330 1.00 0.00 O flip ATOM 982 ND2 ASN A 508 14.635 -2.994 -13.631 1.00 0.00 N flip ATOM 0 H ASN A 508 12.797 -6.550 -11.571 1.00 0.00 H new ATOM 0 HA ASN A 508 14.387 -5.080 -12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 508 12.201 -3.781 -12.613 1.00 0.00 H new ATOM 0 HB3 ASN A 508 12.524 -2.876 -11.148 1.00 0.00 H new ATOM 0 HD21 ASN A 508 14.566 -3.978 -13.890 1.00 0.00 H new ATOM 0 HD22 ASN A 508 15.273 -2.378 -14.135 1.00 0.00 H new ATOM 989 N ASP A 509 14.970 -5.247 -9.364 1.00 0.00 N ATOM 990 CA ASP A 509 15.751 -4.989 -8.159 1.00 0.00 C ATOM 991 C ASP A 509 14.934 -4.199 -7.142 1.00 0.00 C ATOM 992 O ASP A 509 15.464 -3.339 -6.438 1.00 0.00 O ATOM 993 CB ASP A 509 17.029 -4.225 -8.508 1.00 0.00 C ATOM 994 CG ASP A 509 17.969 -5.036 -9.380 1.00 0.00 C ATOM 995 OD1 ASP A 509 17.803 -6.272 -9.441 1.00 0.00 O ATOM 996 OD2 ASP A 509 18.869 -4.434 -10.003 1.00 0.00 O ATOM 0 H ASP A 509 14.824 -6.236 -9.568 1.00 0.00 H new ATOM 0 HA ASP A 509 16.020 -5.948 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.767 -3.301 -9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.543 -3.943 -7.589 1.00 0.00 H new ATOM 1001 N LYS A 510 13.641 -4.496 -7.071 1.00 0.00 N ATOM 1002 CA LYS A 510 12.749 -3.815 -6.139 1.00 0.00 C ATOM 1003 C LYS A 510 11.689 -4.771 -5.604 1.00 0.00 C ATOM 1004 O LYS A 510 11.368 -5.777 -6.237 1.00 0.00 O ATOM 1005 CB LYS A 510 12.078 -2.622 -6.824 1.00 0.00 C ATOM 1006 CG LYS A 510 13.055 -1.541 -7.257 1.00 0.00 C ATOM 1007 CD LYS A 510 12.330 -0.328 -7.819 1.00 0.00 C ATOM 1008 CE LYS A 510 13.307 0.712 -8.342 1.00 0.00 C ATOM 1009 NZ LYS A 510 13.943 0.283 -9.619 1.00 0.00 N ATOM 0 H LYS A 510 13.187 -5.204 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 510 13.345 -3.456 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 510 11.530 -2.976 -7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.346 -2.187 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 510 13.666 -1.239 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 510 13.733 -1.942 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.665 -0.641 -8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 510 11.705 0.115 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 510 12.785 1.656 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 510 14.079 0.893 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 14.510 1.065 -10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 14.558 -0.537 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 13.205 0.021 -10.303 1.00 0.00 H new ATOM 1023 N MET A 511 11.147 -4.451 -4.433 1.00 0.00 N ATOM 1024 CA MET A 511 10.123 -5.282 -3.813 1.00 0.00 C ATOM 1025 C MET A 511 8.732 -4.885 -4.298 1.00 0.00 C ATOM 1026 O MET A 511 8.349 -3.717 -4.227 1.00 0.00 O ATOM 1027 CB MET A 511 10.197 -5.165 -2.289 1.00 0.00 C ATOM 1028 CG MET A 511 11.463 -5.760 -1.695 1.00 0.00 C ATOM 1029 SD MET A 511 11.520 -5.619 0.102 1.00 0.00 S ATOM 1030 CE MET A 511 12.004 -3.906 0.291 1.00 0.00 C ATOM 0 H MET A 511 11.400 -3.622 -3.895 1.00 0.00 H new ATOM 0 HA MET A 511 10.306 -6.317 -4.101 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.134 -4.113 -2.010 1.00 0.00 H new ATOM 0 HB3 MET A 511 9.331 -5.663 -1.852 1.00 0.00 H new ATOM 0 HG2 MET A 511 11.532 -6.811 -1.975 1.00 0.00 H new ATOM 0 HG3 MET A 511 12.331 -5.258 -2.123 1.00 0.00 H new ATOM 0 HE1 MET A 511 12.134 -3.679 1.349 1.00 0.00 H new ATOM 0 HE2 MET A 511 12.943 -3.733 -0.235 1.00 0.00 H new ATOM 0 HE3 MET A 511 11.230 -3.261 -0.126 1.00 0.00 H new ATOM 1040 N HIS A 512 7.982 -5.864 -4.794 1.00 0.00 N ATOM 1041 CA HIS A 512 6.634 -5.618 -5.294 1.00 0.00 C ATOM 1042 C HIS A 512 5.610 -6.459 -4.538 1.00 0.00 C ATOM 1043 O HIS A 512 5.921 -7.550 -4.059 1.00 0.00 O ATOM 1044 CB HIS A 512 6.559 -5.926 -6.790 1.00 0.00 C ATOM 1045 CG HIS A 512 7.043 -4.807 -7.659 1.00 0.00 C ATOM 1046 ND1 HIS A 512 8.234 -4.145 -7.442 1.00 0.00 N ATOM 1047 CD2 HIS A 512 6.490 -4.233 -8.755 1.00 0.00 C ATOM 1048 CE1 HIS A 512 8.390 -3.212 -8.365 1.00 0.00 C ATOM 1049 NE2 HIS A 512 7.348 -3.246 -9.173 1.00 0.00 N ATOM 0 H HIS A 512 8.285 -6.836 -4.860 1.00 0.00 H new ATOM 0 HA HIS A 512 6.401 -4.565 -5.134 1.00 0.00 H new ATOM 0 HB2 HIS A 512 7.150 -6.818 -6.999 1.00 0.00 H new ATOM 0 HB3 HIS A 512 5.527 -6.158 -7.053 1.00 0.00 H new ATOM 0 HD2 HIS A 512 5.550 -4.502 -9.214 1.00 0.00 H new ATOM 0 HE1 HIS A 512 9.229 -2.536 -8.444 1.00 0.00 H new ATOM 0 HE2 HIS A 512 7.203 -2.637 -9.978 1.00 0.00 H new ATOM 1058 N PHE A 513 4.388 -5.946 -4.438 1.00 0.00 N ATOM 1059 CA PHE A 513 3.317 -6.652 -3.744 1.00 0.00 C ATOM 1060 C PHE A 513 2.304 -7.212 -4.737 1.00 0.00 C ATOM 1061 O PHE A 513 1.789 -6.488 -5.588 1.00 0.00 O ATOM 1062 CB PHE A 513 2.618 -5.718 -2.754 1.00 0.00 C ATOM 1063 CG PHE A 513 3.453 -5.387 -1.551 1.00 0.00 C ATOM 1064 CD1 PHE A 513 4.301 -4.290 -1.559 1.00 0.00 C ATOM 1065 CD2 PHE A 513 3.392 -6.173 -0.411 1.00 0.00 C ATOM 1066 CE1 PHE A 513 5.070 -3.983 -0.453 1.00 0.00 C ATOM 1067 CE2 PHE A 513 4.159 -5.871 0.698 1.00 0.00 C ATOM 1068 CZ PHE A 513 4.999 -4.775 0.678 1.00 0.00 C ATOM 0 H PHE A 513 4.115 -5.044 -4.829 1.00 0.00 H new ATOM 0 HA PHE A 513 3.759 -7.484 -3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 513 2.350 -4.794 -3.266 1.00 0.00 H new ATOM 0 HB3 PHE A 513 1.688 -6.181 -2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 513 4.361 -3.668 -2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 513 2.737 -7.032 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 513 5.726 -3.125 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 513 4.102 -6.492 1.580 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.599 -4.537 1.544 1.00 0.00 H new ATOM 1078 N SER A 514 2.022 -8.507 -4.621 1.00 0.00 N ATOM 1079 CA SER A 514 1.070 -9.164 -5.510 1.00 0.00 C ATOM 1080 C SER A 514 0.090 -10.023 -4.719 1.00 0.00 C ATOM 1081 O SER A 514 0.461 -10.657 -3.732 1.00 0.00 O ATOM 1082 CB SER A 514 1.810 -10.026 -6.535 1.00 0.00 C ATOM 1083 OG SER A 514 0.915 -10.551 -7.499 1.00 0.00 O ATOM 0 H SER A 514 2.439 -9.121 -3.921 1.00 0.00 H new ATOM 0 HA SER A 514 0.507 -8.392 -6.033 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.576 -9.430 -7.031 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.322 -10.843 -6.026 1.00 0.00 H new ATOM 0 HG SER A 514 1.412 -11.097 -8.144 1.00 0.00 H new ATOM 1089 N LEU A 515 -1.163 -10.038 -5.160 1.00 0.00 N ATOM 1090 CA LEU A 515 -2.200 -10.819 -4.494 1.00 0.00 C ATOM 1091 C LEU A 515 -2.887 -11.761 -5.476 1.00 0.00 C ATOM 1092 O LEU A 515 -3.135 -11.402 -6.628 1.00 0.00 O ATOM 1093 CB LEU A 515 -3.232 -9.891 -3.852 1.00 0.00 C ATOM 1094 CG LEU A 515 -2.890 -9.424 -2.438 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -3.519 -8.067 -2.157 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -3.351 -10.451 -1.414 1.00 0.00 C ATOM 0 H LEU A 515 -1.486 -9.518 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 515 -1.726 -11.418 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.355 -9.014 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -4.193 -10.404 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 515 -1.808 -9.322 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -3.265 -7.751 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.141 -7.336 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.602 -8.141 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -3.100 -10.104 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.430 -10.584 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -2.854 -11.402 -1.603 1.00 0.00 H new ATOM 1108 N LYS A 516 -3.195 -12.968 -5.012 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.856 -13.963 -5.849 1.00 0.00 C ATOM 1110 C LYS A 516 -5.253 -14.274 -5.320 1.00 0.00 C ATOM 1111 O LYS A 516 -5.420 -15.112 -4.435 1.00 0.00 O ATOM 1112 CB LYS A 516 -3.023 -15.245 -5.908 1.00 0.00 C ATOM 1113 CG LYS A 516 -3.570 -16.280 -6.877 1.00 0.00 C ATOM 1114 CD LYS A 516 -3.291 -15.895 -8.321 1.00 0.00 C ATOM 1115 CE LYS A 516 -3.759 -16.972 -9.286 1.00 0.00 C ATOM 1116 NZ LYS A 516 -2.758 -18.066 -9.424 1.00 0.00 N ATOM 0 H LYS A 516 -2.998 -13.281 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 516 -3.950 -13.553 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -2.003 -14.993 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -2.974 -15.683 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -3.122 -17.251 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -4.645 -16.386 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 516 -3.793 -14.956 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -2.222 -15.726 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 516 -4.704 -17.387 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 516 -3.948 -16.527 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 -3.114 -18.781 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 -1.863 -17.675 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 -2.596 -18.508 -8.496 1.00 0.00 H new ATOM 1130 N GLU A 517 -6.253 -13.593 -5.871 1.00 0.00 N ATOM 1131 CA GLU A 517 -7.637 -13.796 -5.456 1.00 0.00 C ATOM 1132 C GLU A 517 -8.454 -14.426 -6.579 1.00 0.00 C ATOM 1133 O GLU A 517 -9.347 -15.243 -6.272 1.00 0.00 O ATOM 1134 CB GLU A 517 -8.265 -12.466 -5.036 1.00 0.00 C ATOM 1135 CG GLU A 517 -7.598 -11.834 -3.825 1.00 0.00 C ATOM 1136 CD GLU A 517 -7.678 -12.711 -2.591 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -8.524 -13.631 -2.569 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -6.896 -12.479 -1.645 1.00 0.00 O ATOM 1139 OXT GLU A 517 -8.195 -14.096 -7.755 1.00 0.00 O ATOM 0 H GLU A 517 -6.131 -12.896 -6.606 1.00 0.00 H new ATOM 0 HA GLU A 517 -7.640 -14.476 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -8.215 -11.770 -5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -9.321 -12.625 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -6.552 -11.632 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -8.069 -10.874 -3.615 1.00 0.00 H new ATOM 1187 N GLU B 945 8.108 13.015 3.630 1.00 0.00 N ATOM 1188 CA GLU B 945 6.814 12.515 4.083 1.00 0.00 C ATOM 1189 C GLU B 945 6.284 11.443 3.137 1.00 0.00 C ATOM 1190 O GLU B 945 5.623 10.496 3.564 1.00 0.00 O ATOM 1191 CB GLU B 945 5.809 13.664 4.188 1.00 0.00 C ATOM 1192 CG GLU B 945 6.173 14.696 5.243 1.00 0.00 C ATOM 1193 CD GLU B 945 5.129 15.789 5.375 1.00 0.00 C ATOM 1194 OE1 GLU B 945 4.243 15.875 4.498 1.00 0.00 O ATOM 1195 OE2 GLU B 945 5.197 16.557 6.358 1.00 0.00 O ATOM 0 HA GLU B 945 6.948 12.069 5.068 1.00 0.00 H new ATOM 0 HB2 GLU B 945 5.732 14.158 3.220 1.00 0.00 H new ATOM 0 HB3 GLU B 945 4.825 13.255 4.416 1.00 0.00 H new ATOM 0 HG2 GLU B 945 6.297 14.199 6.205 1.00 0.00 H new ATOM 0 HG3 GLU B 945 7.134 15.145 4.991 1.00 0.00 H new ATOM 1202 N ALA B 946 6.576 11.599 1.850 1.00 0.00 N ATOM 1203 CA ALA B 946 6.127 10.645 0.844 1.00 0.00 C ATOM 1204 C ALA B 946 6.735 9.268 1.085 1.00 0.00 C ATOM 1205 O ALA B 946 6.041 8.252 1.017 1.00 0.00 O ATOM 1206 CB ALA B 946 6.482 11.142 -0.550 1.00 0.00 C ATOM 0 H ALA B 946 7.122 12.377 1.480 1.00 0.00 H new ATOM 0 HA ALA B 946 5.043 10.555 0.922 1.00 0.00 H new ATOM 0 HB1 ALA B 946 6.141 10.420 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA B 946 5.997 12.102 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA B 946 7.563 11.261 -0.630 1.00 0.00 H new ATOM 1212 N ASP B 947 8.032 9.240 1.369 1.00 0.00 N ATOM 1213 CA ASP B 947 8.733 7.986 1.622 1.00 0.00 C ATOM 1214 C ASP B 947 8.200 7.309 2.880 1.00 0.00 C ATOM 1215 O ASP B 947 8.091 6.084 2.939 1.00 0.00 O ATOM 1216 CB ASP B 947 10.236 8.236 1.761 1.00 0.00 C ATOM 1217 CG ASP B 947 10.864 8.725 0.470 1.00 0.00 C ATOM 1218 OD1 ASP B 947 10.229 8.569 -0.596 1.00 0.00 O ATOM 1219 OD2 ASP B 947 11.989 9.263 0.523 1.00 0.00 O ATOM 0 H ASP B 947 8.620 10.071 1.430 1.00 0.00 H new ATOM 0 HA ASP B 947 8.559 7.324 0.774 1.00 0.00 H new ATOM 0 HB2 ASP B 947 10.408 8.972 2.547 1.00 0.00 H new ATOM 0 HB3 ASP B 947 10.727 7.315 2.074 1.00 0.00 H new ATOM 1224 N GLU B 948 7.871 8.115 3.884 1.00 0.00 N ATOM 1225 CA GLU B 948 7.350 7.594 5.143 1.00 0.00 C ATOM 1226 C GLU B 948 6.014 6.888 4.930 1.00 0.00 C ATOM 1227 O GLU B 948 5.684 5.937 5.639 1.00 0.00 O ATOM 1228 CB GLU B 948 7.185 8.726 6.159 1.00 0.00 C ATOM 1229 CG GLU B 948 8.500 9.368 6.573 1.00 0.00 C ATOM 1230 CD GLU B 948 8.318 10.446 7.623 1.00 0.00 C ATOM 1231 OE1 GLU B 948 7.163 10.863 7.854 1.00 0.00 O ATOM 1232 OE2 GLU B 948 9.331 10.875 8.214 1.00 0.00 O ATOM 0 H GLU B 948 7.956 9.131 3.851 1.00 0.00 H new ATOM 0 HA GLU B 948 8.066 6.869 5.530 1.00 0.00 H new ATOM 0 HB2 GLU B 948 6.534 9.491 5.736 1.00 0.00 H new ATOM 0 HB3 GLU B 948 6.685 8.337 7.046 1.00 0.00 H new ATOM 0 HG2 GLU B 948 9.169 8.599 6.959 1.00 0.00 H new ATOM 0 HG3 GLU B 948 8.982 9.799 5.695 1.00 0.00 H new ATOM 1239 N MET B 949 5.249 7.361 3.952 1.00 0.00 N ATOM 1240 CA MET B 949 3.949 6.773 3.647 1.00 0.00 C ATOM 1241 C MET B 949 4.084 5.295 3.298 1.00 0.00 C ATOM 1242 O MET B 949 3.354 4.454 3.821 1.00 0.00 O ATOM 1243 CB MET B 949 3.285 7.524 2.490 1.00 0.00 C ATOM 1244 CG MET B 949 2.805 8.917 2.863 1.00 0.00 C ATOM 1245 SD MET B 949 2.102 9.809 1.461 1.00 0.00 S ATOM 1246 CE MET B 949 0.350 9.577 1.752 1.00 0.00 C ATOM 0 H MET B 949 5.506 8.149 3.357 1.00 0.00 H new ATOM 0 HA MET B 949 3.324 6.860 4.536 1.00 0.00 H new ATOM 0 HB2 MET B 949 3.993 7.602 1.665 1.00 0.00 H new ATOM 0 HB3 MET B 949 2.437 6.942 2.129 1.00 0.00 H new ATOM 0 HG2 MET B 949 2.057 8.840 3.652 1.00 0.00 H new ATOM 0 HG3 MET B 949 3.640 9.488 3.270 1.00 0.00 H new ATOM 0 HE1 MET B 949 -0.033 8.812 1.076 1.00 0.00 H new ATOM 0 HE2 MET B 949 0.191 9.262 2.783 1.00 0.00 H new ATOM 0 HE3 MET B 949 -0.176 10.515 1.574 1.00 0.00 H new ATOM 1256 N ALA B 950 5.024 4.985 2.410 1.00 0.00 N ATOM 1257 CA ALA B 950 5.255 3.609 1.990 1.00 0.00 C ATOM 1258 C ALA B 950 6.211 2.894 2.940 1.00 0.00 C ATOM 1259 O ALA B 950 6.101 1.688 3.157 1.00 0.00 O ATOM 1260 CB ALA B 950 5.797 3.574 0.570 1.00 0.00 C ATOM 0 H ALA B 950 5.638 5.669 1.968 1.00 0.00 H new ATOM 0 HA ALA B 950 4.300 3.085 2.017 1.00 0.00 H new ATOM 0 HB1 ALA B 950 5.965 2.540 0.270 1.00 0.00 H new ATOM 0 HB2 ALA B 950 5.077 4.036 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA B 950 6.738 4.122 0.526 1.00 0.00 H new ATOM 1266 N LYS B 951 7.152 3.647 3.502 1.00 0.00 N ATOM 1267 CA LYS B 951 8.131 3.084 4.427 1.00 0.00 C ATOM 1268 C LYS B 951 7.442 2.416 5.613 1.00 0.00 C ATOM 1269 O LYS B 951 7.742 1.271 5.954 1.00 0.00 O ATOM 1270 CB LYS B 951 9.080 4.175 4.923 1.00 0.00 C ATOM 1271 CG LYS B 951 10.223 3.647 5.776 1.00 0.00 C ATOM 1272 CD LYS B 951 11.105 4.774 6.287 1.00 0.00 C ATOM 1273 CE LYS B 951 12.343 4.239 6.988 1.00 0.00 C ATOM 1274 NZ LYS B 951 13.394 3.822 6.020 1.00 0.00 N ATOM 0 H LYS B 951 7.258 4.647 3.333 1.00 0.00 H new ATOM 0 HA LYS B 951 8.705 2.327 3.892 1.00 0.00 H new ATOM 0 HB2 LYS B 951 9.493 4.703 4.064 1.00 0.00 H new ATOM 0 HB3 LYS B 951 8.512 4.903 5.502 1.00 0.00 H new ATOM 0 HG2 LYS B 951 9.820 3.088 6.620 1.00 0.00 H new ATOM 0 HG3 LYS B 951 10.824 2.951 5.191 1.00 0.00 H new ATOM 0 HD2 LYS B 951 11.404 5.410 5.454 1.00 0.00 H new ATOM 0 HD3 LYS B 951 10.537 5.398 6.976 1.00 0.00 H new ATOM 0 HE2 LYS B 951 12.744 5.005 7.651 1.00 0.00 H new ATOM 0 HE3 LYS B 951 12.067 3.389 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 14.221 3.463 6.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 13.020 3.073 5.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 13.676 4.638 5.441 1.00 0.00 H new ATOM 1288 N ALA B 952 6.517 3.137 6.237 1.00 0.00 N ATOM 1289 CA ALA B 952 5.786 2.612 7.383 1.00 0.00 C ATOM 1290 C ALA B 952 4.794 1.536 6.955 1.00 0.00 C ATOM 1291 O ALA B 952 4.519 0.597 7.702 1.00 0.00 O ATOM 1292 CB ALA B 952 5.064 3.738 8.109 1.00 0.00 C ATOM 0 H ALA B 952 6.256 4.086 5.968 1.00 0.00 H new ATOM 0 HA ALA B 952 6.505 2.157 8.064 1.00 0.00 H new ATOM 0 HB1 ALA B 952 4.522 3.332 8.963 1.00 0.00 H new ATOM 0 HB2 ALA B 952 5.791 4.472 8.457 1.00 0.00 H new ATOM 0 HB3 ALA B 952 4.361 4.218 7.428 1.00 0.00 H new ATOM 1298 N LEU B 953 4.261 1.680 5.747 1.00 0.00 N ATOM 1299 CA LEU B 953 3.298 0.721 5.216 1.00 0.00 C ATOM 1300 C LEU B 953 3.934 -0.656 5.048 1.00 0.00 C ATOM 1301 O LEU B 953 3.340 -1.673 5.406 1.00 0.00 O ATOM 1302 CB LEU B 953 2.752 1.210 3.873 1.00 0.00 C ATOM 1303 CG LEU B 953 1.541 0.439 3.346 1.00 0.00 C ATOM 1304 CD1 LEU B 953 0.250 1.100 3.801 1.00 0.00 C ATOM 1305 CD2 LEU B 953 1.588 0.346 1.828 1.00 0.00 C ATOM 0 H LEU B 953 4.479 2.451 5.116 1.00 0.00 H new ATOM 0 HA LEU B 953 2.477 0.636 5.928 1.00 0.00 H new ATOM 0 HB2 LEU B 953 2.480 2.261 3.970 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.549 1.154 3.132 1.00 0.00 H new ATOM 0 HG LEU B 953 1.572 -0.572 3.753 1.00 0.00 H new ATOM 0 HD11 LEU B 953 -0.601 0.538 3.417 1.00 0.00 H new ATOM 0 HD12 LEU B 953 0.213 1.115 4.890 1.00 0.00 H new ATOM 0 HD13 LEU B 953 0.211 2.121 3.423 1.00 0.00 H new ATOM 0 HD21 LEU B 953 0.719 -0.206 1.470 1.00 0.00 H new ATOM 0 HD22 LEU B 953 1.582 1.349 1.402 1.00 0.00 H new ATOM 0 HD23 LEU B 953 2.497 -0.172 1.523 1.00 0.00 H new ATOM 1317 N GLU B 954 5.144 -0.680 4.499 1.00 0.00 N ATOM 1318 CA GLU B 954 5.860 -1.931 4.280 1.00 0.00 C ATOM 1319 C GLU B 954 6.346 -2.524 5.598 1.00 0.00 C ATOM 1320 O GLU B 954 6.432 -3.742 5.749 1.00 0.00 O ATOM 1321 CB GLU B 954 7.049 -1.704 3.343 1.00 0.00 C ATOM 1322 CG GLU B 954 7.794 -2.981 2.987 1.00 0.00 C ATOM 1323 CD GLU B 954 9.026 -2.722 2.141 1.00 0.00 C ATOM 1324 OE1 GLU B 954 9.326 -1.540 1.871 1.00 0.00 O ATOM 1325 OE2 GLU B 954 9.691 -3.704 1.746 1.00 0.00 O ATOM 0 H GLU B 954 5.649 0.153 4.198 1.00 0.00 H new ATOM 0 HA GLU B 954 5.169 -2.637 3.820 1.00 0.00 H new ATOM 0 HB2 GLU B 954 6.694 -1.232 2.427 1.00 0.00 H new ATOM 0 HB3 GLU B 954 7.743 -1.007 3.812 1.00 0.00 H new ATOM 0 HG2 GLU B 954 8.088 -3.493 3.903 1.00 0.00 H new ATOM 0 HG3 GLU B 954 7.123 -3.651 2.449 1.00 0.00 H new ATOM 1332 N ALA B 955 6.665 -1.654 6.552 1.00 0.00 N ATOM 1333 CA ALA B 955 7.146 -2.092 7.857 1.00 0.00 C ATOM 1334 C ALA B 955 6.131 -3.000 8.544 1.00 0.00 C ATOM 1335 O ALA B 955 6.494 -4.021 9.129 1.00 0.00 O ATOM 1336 CB ALA B 955 7.458 -0.889 8.734 1.00 0.00 C ATOM 0 H ALA B 955 6.599 -0.642 6.445 1.00 0.00 H new ATOM 0 HA ALA B 955 8.060 -2.666 7.704 1.00 0.00 H new ATOM 0 HB1 ALA B 955 7.816 -1.230 9.705 1.00 0.00 H new ATOM 0 HB2 ALA B 955 8.226 -0.281 8.257 1.00 0.00 H new ATOM 0 HB3 ALA B 955 6.555 -0.293 8.869 1.00 0.00 H new ATOM 1342 N GLU B 956 4.860 -2.621 8.472 1.00 0.00 N ATOM 1343 CA GLU B 956 3.794 -3.402 9.090 1.00 0.00 C ATOM 1344 C GLU B 956 3.600 -4.732 8.367 1.00 0.00 C ATOM 1345 O GLU B 956 3.389 -5.767 8.998 1.00 0.00 O ATOM 1346 CB GLU B 956 2.486 -2.610 9.086 1.00 0.00 C ATOM 1347 CG GLU B 956 2.530 -1.358 9.948 1.00 0.00 C ATOM 1348 CD GLU B 956 2.809 -1.665 11.406 1.00 0.00 C ATOM 1349 OE1 GLU B 956 2.626 -2.831 11.815 1.00 0.00 O ATOM 1350 OE2 GLU B 956 3.209 -0.737 12.140 1.00 0.00 O ATOM 0 H GLU B 956 4.542 -1.779 7.992 1.00 0.00 H new ATOM 0 HA GLU B 956 4.082 -3.610 10.120 1.00 0.00 H new ATOM 0 HB2 GLU B 956 2.245 -2.327 8.061 1.00 0.00 H new ATOM 0 HB3 GLU B 956 1.680 -3.254 9.437 1.00 0.00 H new ATOM 0 HG2 GLU B 956 3.300 -0.686 9.568 1.00 0.00 H new ATOM 0 HG3 GLU B 956 1.579 -0.831 9.867 1.00 0.00 H new ATOM 1357 N LEU B 957 3.671 -4.695 7.040 1.00 0.00 N ATOM 1358 CA LEU B 957 3.500 -5.898 6.233 1.00 0.00 C ATOM 1359 C LEU B 957 4.744 -6.782 6.291 1.00 0.00 C ATOM 1360 O LEU B 957 4.667 -7.991 6.073 1.00 0.00 O ATOM 1361 CB LEU B 957 3.189 -5.523 4.782 1.00 0.00 C ATOM 1362 CG LEU B 957 1.699 -5.456 4.440 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.499 -4.966 3.014 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.050 -6.818 4.633 1.00 0.00 C ATOM 0 H LEU B 957 3.845 -3.846 6.502 1.00 0.00 H new ATOM 0 HA LEU B 957 2.662 -6.462 6.643 1.00 0.00 H new ATOM 0 HB2 LEU B 957 3.640 -4.554 4.568 1.00 0.00 H new ATOM 0 HB3 LEU B 957 3.666 -6.249 4.124 1.00 0.00 H new ATOM 0 HG LEU B 957 1.221 -4.746 5.115 1.00 0.00 H new ATOM 0 HD11 LEU B 957 0.433 -4.925 2.789 1.00 0.00 H new ATOM 0 HD12 LEU B 957 1.931 -3.971 2.907 1.00 0.00 H new ATOM 0 HD13 LEU B 957 1.990 -5.650 2.322 1.00 0.00 H new ATOM 0 HD21 LEU B 957 -0.010 -6.754 4.386 1.00 0.00 H new ATOM 0 HD22 LEU B 957 1.532 -7.546 3.981 1.00 0.00 H new ATOM 0 HD23 LEU B 957 1.162 -7.131 5.671 1.00 0.00 H new ATOM 1376 N ASN B 958 5.888 -6.173 6.585 1.00 0.00 N ATOM 1377 CA ASN B 958 7.146 -6.907 6.670 1.00 0.00 C ATOM 1378 C ASN B 958 7.097 -7.971 7.768 1.00 0.00 C ATOM 1379 O ASN B 958 7.921 -8.885 7.791 1.00 0.00 O ATOM 1380 CB ASN B 958 8.304 -5.943 6.933 1.00 0.00 C ATOM 1381 CG ASN B 958 9.656 -6.584 6.692 1.00 0.00 C ATOM 1382 OD1 ASN B 958 9.972 -6.991 5.573 1.00 0.00 O ATOM 1383 ND2 ASN B 958 10.464 -6.677 7.741 1.00 0.00 N ATOM 0 H ASN B 958 5.970 -5.173 6.768 1.00 0.00 H new ATOM 0 HA ASN B 958 7.303 -7.410 5.716 1.00 0.00 H new ATOM 0 HB2 ASN B 958 8.199 -5.070 6.289 1.00 0.00 H new ATOM 0 HB3 ASN B 958 8.251 -5.589 7.962 1.00 0.00 H new ATOM 0 HD21 ASN B 958 11.387 -7.099 7.638 1.00 0.00 H new ATOM 0 HD22 ASN B 958 10.162 -6.327 8.650 1.00 0.00 H new ATOM 1390 N ASP B 959 6.135 -7.845 8.678 1.00 0.00 N ATOM 1391 CA ASP B 959 5.993 -8.795 9.775 1.00 0.00 C ATOM 1392 C ASP B 959 5.566 -10.170 9.266 1.00 0.00 C ATOM 1393 O ASP B 959 6.145 -11.188 9.645 1.00 0.00 O ATOM 1394 CB ASP B 959 4.975 -8.280 10.794 1.00 0.00 C ATOM 1395 CG ASP B 959 4.918 -9.140 12.041 1.00 0.00 C ATOM 1396 OD1 ASP B 959 5.749 -8.926 12.948 1.00 0.00 O ATOM 1397 OD2 ASP B 959 4.042 -10.027 12.112 1.00 0.00 O ATOM 0 H ASP B 959 5.444 -7.095 8.677 1.00 0.00 H new ATOM 0 HA ASP B 959 6.966 -8.896 10.256 1.00 0.00 H new ATOM 0 HB2 ASP B 959 5.230 -7.258 11.073 1.00 0.00 H new ATOM 0 HB3 ASP B 959 3.988 -8.248 10.333 1.00 0.00 H new ATOM 1402 N LEU B 960 4.551 -10.195 8.409 1.00 0.00 N ATOM 1403 CA LEU B 960 4.053 -11.451 7.855 1.00 0.00 C ATOM 1404 C LEU B 960 5.147 -12.172 7.074 1.00 0.00 C ATOM 1405 O LEU B 960 5.218 -13.401 7.078 1.00 0.00 O ATOM 1406 CB LEU B 960 2.848 -11.195 6.947 1.00 0.00 C ATOM 1407 CG LEU B 960 1.842 -10.170 7.479 1.00 0.00 C ATOM 1408 CD1 LEU B 960 1.760 -8.970 6.549 1.00 0.00 C ATOM 1409 CD2 LEU B 960 0.466 -10.802 7.655 1.00 0.00 C ATOM 0 H LEU B 960 4.058 -9.364 8.083 1.00 0.00 H new ATOM 0 HA LEU B 960 3.743 -12.085 8.685 1.00 0.00 H new ATOM 0 HB2 LEU B 960 3.209 -10.857 5.976 1.00 0.00 H new ATOM 0 HB3 LEU B 960 2.329 -12.139 6.783 1.00 0.00 H new ATOM 0 HG LEU B 960 2.189 -9.829 8.455 1.00 0.00 H new ATOM 0 HD11 LEU B 960 1.040 -8.253 6.943 1.00 0.00 H new ATOM 0 HD12 LEU B 960 2.740 -8.498 6.476 1.00 0.00 H new ATOM 0 HD13 LEU B 960 1.441 -9.298 5.560 1.00 0.00 H new ATOM 0 HD21 LEU B 960 -0.232 -10.055 8.034 1.00 0.00 H new ATOM 0 HD22 LEU B 960 0.112 -11.175 6.694 1.00 0.00 H new ATOM 0 HD23 LEU B 960 0.533 -11.628 8.363 1.00 0.00 H new ATOM 1421 N MET B 961 5.997 -11.400 6.406 1.00 0.00 N ATOM 1422 CA MET B 961 7.088 -11.964 5.620 1.00 0.00 C ATOM 1423 C MET B 961 6.551 -12.846 4.496 1.00 0.00 C ATOM 1424 O MET B 961 5.360 -13.215 4.553 1.00 0.00 O ATOM 1425 CB MET B 961 8.025 -12.776 6.517 1.00 0.00 C ATOM 1426 CG MET B 961 9.264 -13.286 5.800 1.00 0.00 C ATOM 1427 SD MET B 961 10.297 -14.325 6.851 1.00 0.00 S ATOM 1428 CE MET B 961 11.677 -14.650 5.756 1.00 0.00 C ATOM 1429 OXT MET B 961 7.327 -13.158 3.568 1.00 0.00 O ATOM 0 H MET B 961 5.951 -10.381 6.393 1.00 0.00 H new ATOM 0 HA MET B 961 7.645 -11.139 5.176 1.00 0.00 H new ATOM 0 HB2 MET B 961 8.332 -12.158 7.361 1.00 0.00 H new ATOM 0 HB3 MET B 961 7.477 -13.625 6.926 1.00 0.00 H new ATOM 0 HG2 MET B 961 8.962 -13.853 4.920 1.00 0.00 H new ATOM 0 HG3 MET B 961 9.850 -12.437 5.447 1.00 0.00 H new ATOM 0 HE1 MET B 961 12.404 -15.283 6.265 1.00 0.00 H new ATOM 0 HE2 MET B 961 11.319 -15.157 4.860 1.00 0.00 H new ATOM 0 HE3 MET B 961 12.149 -13.708 5.476 1.00 0.00 H new