USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 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 58 THR OG1 : rot -13:sc= -0.334 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -132:sc= 1.62 (180deg=0.401) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 159:sc= 0.177 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -144:sc= -1.12 (180deg=-1.57) USER MOD Single : A 82 ASN : amide:sc= -0.969 K(o=-0.97,f=-2.2) USER MOD Single : A 83 THR OG1 : rot -44:sc= 0.501 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 169:sc=-0.00756 (180deg=-0.119) USER MOD Single : A 86 THR OG1 : rot 37:sc= 1.23 USER MOD Single : A 91 TYR OH : rot 169:sc= 0.477 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 175:sc= 0.625 USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0307) USER MOD Single : A 117 THR OG1 : rot 150:sc= -0.615 USER MOD Single : A 119 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0049) USER MOD Single : A 122 THR OG1 : rot 156:sc= -1.7! USER MOD Single : A 124 MET CE :methyl -166:sc= -0.048 (180deg=-0.527) USER MOD Single : A 125 THR OG1 : rot 42:sc= 0.0908 USER MOD Single : A 126 LYS NZ :NH3+ 152:sc= -0.621 (180deg=-0.899) USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -0.114 6.830 20.103 1.00 0.00 N ATOM 2 CA MET A 43 -0.356 5.414 19.728 1.00 0.00 C ATOM 3 C MET A 43 -1.836 5.015 19.933 1.00 0.00 C ATOM 4 O MET A 43 -2.185 3.841 19.766 1.00 0.00 O ATOM 5 CB MET A 43 0.590 4.472 20.532 1.00 0.00 C ATOM 6 CG MET A 43 0.400 4.518 22.054 1.00 0.00 C ATOM 7 SD MET A 43 1.406 3.300 22.928 1.00 0.00 S ATOM 8 CE MET A 43 0.997 3.648 24.640 1.00 0.00 C ATOM 0 HA MET A 43 -0.136 5.306 18.666 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.436 3.448 20.191 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.623 4.733 20.301 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.651 5.515 22.416 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.651 4.349 22.289 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.548 2.969 25.291 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.268 4.677 24.877 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.073 3.510 24.794 1.00 0.00 H new ATOM 20 N ALA A 44 -2.705 5.986 20.283 1.00 0.00 N ATOM 21 CA ALA A 44 -4.149 5.744 20.476 1.00 0.00 C ATOM 22 C ALA A 44 -4.963 6.701 19.584 1.00 0.00 C ATOM 23 O ALA A 44 -4.883 7.928 19.737 1.00 0.00 O ATOM 24 CB ALA A 44 -4.535 5.904 21.963 1.00 0.00 C ATOM 0 H ALA A 44 -2.427 6.955 20.439 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.379 4.719 20.184 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.603 5.722 22.083 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.975 5.188 22.564 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.300 6.916 22.293 1.00 0.00 H new ATOM 30 N THR A 45 -5.716 6.128 18.633 1.00 0.00 N ATOM 31 CA THR A 45 -6.633 6.881 17.766 1.00 0.00 C ATOM 32 C THR A 45 -7.926 7.224 18.557 1.00 0.00 C ATOM 33 O THR A 45 -8.488 6.328 19.205 1.00 0.00 O ATOM 34 CB THR A 45 -6.971 6.047 16.481 1.00 0.00 C ATOM 35 OG1 THR A 45 -5.747 5.673 15.819 1.00 0.00 O ATOM 36 CG2 THR A 45 -7.860 6.824 15.491 1.00 0.00 C ATOM 0 H THR A 45 -5.706 5.126 18.444 1.00 0.00 H new ATOM 0 HA THR A 45 -6.156 7.809 17.451 1.00 0.00 H new ATOM 0 HB THR A 45 -7.525 5.165 16.802 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.956 5.150 15.017 1.00 0.00 H new ATOM 0 HG21 THR A 45 -8.064 6.202 14.620 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.800 7.089 15.976 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.346 7.732 15.176 1.00 0.00 H new ATOM 44 N PRO A 46 -8.397 8.528 18.550 1.00 0.00 N ATOM 45 CA PRO A 46 -9.650 8.972 19.249 1.00 0.00 C ATOM 46 C PRO A 46 -10.924 8.189 18.834 1.00 0.00 C ATOM 47 O PRO A 46 -10.888 7.358 17.914 1.00 0.00 O ATOM 48 CB PRO A 46 -9.769 10.470 18.841 1.00 0.00 C ATOM 49 CG PRO A 46 -8.367 10.885 18.534 1.00 0.00 C ATOM 50 CD PRO A 46 -7.726 9.681 17.892 1.00 0.00 C ATOM 0 HA PRO A 46 -9.582 8.797 20.323 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.419 10.595 17.975 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.193 11.069 19.647 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.349 11.744 17.863 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.836 11.177 19.440 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.882 9.672 16.813 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.649 9.665 18.058 1.00 0.00 H new ATOM 58 N GLN A 47 -12.045 8.486 19.527 1.00 0.00 N ATOM 59 CA GLN A 47 -13.354 7.827 19.311 1.00 0.00 C ATOM 60 C GLN A 47 -13.992 8.307 17.983 1.00 0.00 C ATOM 61 O GLN A 47 -14.884 9.169 17.970 1.00 0.00 O ATOM 62 CB GLN A 47 -14.300 8.100 20.522 1.00 0.00 C ATOM 63 CG GLN A 47 -15.689 7.422 20.431 1.00 0.00 C ATOM 64 CD GLN A 47 -16.680 7.881 21.509 1.00 0.00 C ATOM 65 OE1 GLN A 47 -16.296 8.234 22.625 1.00 0.00 O ATOM 66 NE2 GLN A 47 -17.964 7.890 21.184 1.00 0.00 N ATOM 0 H GLN A 47 -12.068 9.196 20.259 1.00 0.00 H new ATOM 0 HA GLN A 47 -13.199 6.751 19.236 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -13.806 7.762 21.433 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -14.443 9.176 20.617 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.117 7.624 19.449 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.560 6.342 20.506 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.257 7.593 20.253 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.660 8.194 21.865 1.00 0.00 H new ATOM 75 N ASP A 48 -13.454 7.793 16.864 1.00 0.00 N ATOM 76 CA ASP A 48 -13.937 8.043 15.495 1.00 0.00 C ATOM 77 C ASP A 48 -13.600 6.785 14.686 1.00 0.00 C ATOM 78 O ASP A 48 -12.423 6.387 14.638 1.00 0.00 O ATOM 79 CB ASP A 48 -13.255 9.267 14.806 1.00 0.00 C ATOM 80 CG ASP A 48 -13.198 10.543 15.652 1.00 0.00 C ATOM 81 OD1 ASP A 48 -14.210 11.266 15.714 1.00 0.00 O ATOM 82 OD2 ASP A 48 -12.139 10.827 16.257 1.00 0.00 O ATOM 0 H ASP A 48 -12.645 7.172 16.888 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.003 8.266 15.538 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.238 8.988 14.529 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.788 9.487 13.881 1.00 0.00 H new ATOM 87 N LYS A 49 -14.607 6.164 14.069 1.00 0.00 N ATOM 88 CA LYS A 49 -14.435 4.917 13.290 1.00 0.00 C ATOM 89 C LYS A 49 -13.555 5.170 12.055 1.00 0.00 C ATOM 90 O LYS A 49 -12.618 4.413 11.769 1.00 0.00 O ATOM 91 CB LYS A 49 -15.817 4.363 12.862 1.00 0.00 C ATOM 92 CG LYS A 49 -16.814 4.181 14.029 1.00 0.00 C ATOM 93 CD LYS A 49 -18.203 3.707 13.560 1.00 0.00 C ATOM 94 CE LYS A 49 -19.219 3.625 14.711 1.00 0.00 C ATOM 95 NZ LYS A 49 -20.556 3.204 14.233 1.00 0.00 N ATOM 0 H LYS A 49 -15.568 6.504 14.090 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.939 4.178 13.920 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.255 5.038 12.126 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.674 3.402 12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.409 3.459 14.737 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.919 5.126 14.562 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.578 4.390 12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.110 2.727 13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.862 2.920 15.462 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.296 4.597 15.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.214 3.160 15.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.907 3.891 13.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.487 2.265 13.791 1.00 0.00 H new ATOM 109 N LEU A 50 -13.864 6.262 11.340 1.00 0.00 N ATOM 110 CA LEU A 50 -13.114 6.699 10.156 1.00 0.00 C ATOM 111 C LEU A 50 -12.378 8.020 10.452 1.00 0.00 C ATOM 112 O LEU A 50 -12.431 8.965 9.658 1.00 0.00 O ATOM 113 CB LEU A 50 -14.072 6.825 8.927 1.00 0.00 C ATOM 114 CG LEU A 50 -14.745 5.496 8.453 1.00 0.00 C ATOM 115 CD1 LEU A 50 -15.646 5.735 7.222 1.00 0.00 C ATOM 116 CD2 LEU A 50 -13.692 4.391 8.179 1.00 0.00 C ATOM 0 H LEU A 50 -14.649 6.871 11.571 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.360 5.952 9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.857 7.540 9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.509 7.244 8.093 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.381 5.142 9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.100 4.793 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -16.429 6.449 7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.046 6.132 6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.196 3.482 7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.007 4.727 7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.133 4.187 9.092 1.00 0.00 H new ATOM 128 N HIS A 51 -11.697 8.083 11.624 1.00 0.00 N ATOM 129 CA HIS A 51 -10.665 9.122 11.899 1.00 0.00 C ATOM 130 C HIS A 51 -9.574 8.972 10.837 1.00 0.00 C ATOM 131 O HIS A 51 -9.156 9.928 10.182 1.00 0.00 O ATOM 132 CB HIS A 51 -10.053 8.942 13.320 1.00 0.00 C ATOM 133 CG HIS A 51 -9.127 10.052 13.767 1.00 0.00 C ATOM 134 ND1 HIS A 51 -9.491 11.020 14.679 1.00 0.00 N ATOM 135 CD2 HIS A 51 -7.847 10.338 13.415 1.00 0.00 C ATOM 136 CE1 HIS A 51 -8.478 11.845 14.870 1.00 0.00 C ATOM 137 NE2 HIS A 51 -7.472 11.450 14.118 1.00 0.00 N ATOM 0 H HIS A 51 -11.842 7.429 12.394 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.115 10.114 11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -10.866 8.857 14.041 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.505 8.000 13.346 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -10.401 11.088 15.135 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.238 9.790 12.711 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.475 12.699 15.531 1.00 0.00 H new ATOM 146 N THR A 52 -9.129 7.723 10.730 1.00 0.00 N ATOM 147 CA THR A 52 -8.336 7.204 9.632 1.00 0.00 C ATOM 148 C THR A 52 -9.061 5.972 9.068 1.00 0.00 C ATOM 149 O THR A 52 -9.792 5.282 9.794 1.00 0.00 O ATOM 150 CB THR A 52 -6.904 6.807 10.113 1.00 0.00 C ATOM 151 OG1 THR A 52 -6.985 6.098 11.364 1.00 0.00 O ATOM 152 CG2 THR A 52 -5.969 8.017 10.267 1.00 0.00 C ATOM 0 H THR A 52 -9.323 7.018 11.441 1.00 0.00 H new ATOM 0 HA THR A 52 -8.224 7.971 8.865 1.00 0.00 H new ATOM 0 HB THR A 52 -6.478 6.166 9.341 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.169 5.571 11.495 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.989 7.679 10.603 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.868 8.524 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.386 8.708 11.000 1.00 0.00 H new ATOM 160 N VAL A 53 -8.870 5.715 7.773 1.00 0.00 N ATOM 161 CA VAL A 53 -9.381 4.506 7.113 1.00 0.00 C ATOM 162 C VAL A 53 -8.200 3.544 6.989 1.00 0.00 C ATOM 163 O VAL A 53 -7.243 3.827 6.261 1.00 0.00 O ATOM 164 CB VAL A 53 -10.009 4.811 5.701 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.604 3.527 5.058 1.00 0.00 C ATOM 166 CG2 VAL A 53 -11.071 5.936 5.804 1.00 0.00 C ATOM 0 H VAL A 53 -8.357 6.338 7.149 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.188 4.073 7.704 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.211 5.162 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.030 3.771 4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.816 2.784 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.384 3.124 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.492 6.131 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.865 5.625 6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.603 6.844 6.184 1.00 0.00 H new ATOM 176 N ARG A 54 -8.233 2.451 7.757 1.00 0.00 N ATOM 177 CA ARG A 54 -7.134 1.484 7.822 1.00 0.00 C ATOM 178 C ARG A 54 -7.564 0.174 7.135 1.00 0.00 C ATOM 179 O ARG A 54 -8.478 -0.516 7.604 1.00 0.00 O ATOM 180 CB ARG A 54 -6.717 1.268 9.301 1.00 0.00 C ATOM 181 CG ARG A 54 -5.543 0.299 9.495 1.00 0.00 C ATOM 182 CD ARG A 54 -5.081 0.188 10.961 1.00 0.00 C ATOM 183 NE ARG A 54 -4.442 1.422 11.456 1.00 0.00 N ATOM 184 CZ ARG A 54 -3.421 1.458 12.325 1.00 0.00 C ATOM 185 NH1 ARG A 54 -2.891 0.345 12.806 1.00 0.00 N ATOM 186 NH2 ARG A 54 -2.934 2.619 12.719 1.00 0.00 N ATOM 0 H ARG A 54 -9.025 2.211 8.353 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.261 1.863 7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.452 2.232 9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.577 0.894 9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.833 -0.689 9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.704 0.627 8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.939 -0.049 11.590 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.379 -0.641 11.054 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.803 2.312 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.259 -0.561 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.115 0.393 13.466 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.334 3.487 12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.158 2.649 13.380 1.00 0.00 H new ATOM 200 N LEU A 55 -6.901 -0.148 6.017 1.00 0.00 N ATOM 201 CA LEU A 55 -7.244 -1.297 5.154 1.00 0.00 C ATOM 202 C LEU A 55 -6.106 -2.339 5.279 1.00 0.00 C ATOM 203 O LEU A 55 -4.928 -1.976 5.302 1.00 0.00 O ATOM 204 CB LEU A 55 -7.442 -0.806 3.677 1.00 0.00 C ATOM 205 CG LEU A 55 -8.511 -1.546 2.793 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.663 -0.855 1.414 1.00 0.00 C ATOM 207 CD2 LEU A 55 -8.198 -3.051 2.613 1.00 0.00 C ATOM 0 H LEU A 55 -6.101 0.386 5.678 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.181 -1.762 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.708 0.251 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.480 -0.878 3.169 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.458 -1.479 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.408 -1.386 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.982 0.177 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.706 -0.870 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.968 -3.511 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.228 -3.166 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.177 -3.537 3.588 1.00 0.00 H new ATOM 219 N PHE A 56 -6.474 -3.622 5.371 1.00 0.00 N ATOM 220 CA PHE A 56 -5.531 -4.744 5.567 1.00 0.00 C ATOM 221 C PHE A 56 -5.529 -5.601 4.285 1.00 0.00 C ATOM 222 O PHE A 56 -6.571 -5.731 3.634 1.00 0.00 O ATOM 223 CB PHE A 56 -5.981 -5.605 6.791 1.00 0.00 C ATOM 224 CG PHE A 56 -6.186 -4.823 8.103 1.00 0.00 C ATOM 225 CD1 PHE A 56 -7.326 -4.035 8.306 1.00 0.00 C ATOM 226 CD2 PHE A 56 -5.247 -4.872 9.128 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.510 -3.332 9.483 1.00 0.00 C ATOM 228 CE2 PHE A 56 -5.433 -4.168 10.307 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.562 -3.397 10.483 1.00 0.00 C ATOM 0 H PHE A 56 -7.447 -3.921 5.311 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.528 -4.366 5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.914 -6.109 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.236 -6.382 6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.075 -3.975 7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.356 -5.470 9.003 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.397 -2.731 9.619 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.691 -4.224 11.090 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.704 -2.846 11.401 1.00 0.00 H new ATOM 239 N GLY A 57 -4.377 -6.176 3.909 1.00 0.00 N ATOM 240 CA GLY A 57 -4.298 -7.040 2.724 1.00 0.00 C ATOM 241 C GLY A 57 -2.877 -7.464 2.400 1.00 0.00 C ATOM 242 O GLY A 57 -2.008 -7.441 3.271 1.00 0.00 O ATOM 0 H GLY A 57 -3.493 -6.059 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.909 -7.928 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.720 -6.514 1.868 1.00 0.00 H new ATOM 246 N THR A 58 -2.651 -7.877 1.137 1.00 0.00 N ATOM 247 CA THR A 58 -1.327 -8.288 0.629 1.00 0.00 C ATOM 248 C THR A 58 -1.031 -7.593 -0.715 1.00 0.00 C ATOM 249 O THR A 58 -1.938 -7.358 -1.507 1.00 0.00 O ATOM 250 CB THR A 58 -1.267 -9.841 0.463 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.672 -10.454 1.686 1.00 0.00 O ATOM 252 CG2 THR A 58 0.140 -10.355 0.105 1.00 0.00 C ATOM 0 H THR A 58 -3.389 -7.935 0.435 1.00 0.00 H new ATOM 0 HA THR A 58 -0.568 -7.987 1.351 1.00 0.00 H new ATOM 0 HB THR A 58 -1.933 -10.100 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.690 -9.782 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.116 -11.440 0.003 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.462 -9.909 -0.836 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.840 -10.080 0.894 1.00 0.00 H new ATOM 260 N VAL A 59 0.248 -7.272 -0.939 1.00 0.00 N ATOM 261 CA VAL A 59 0.722 -6.551 -2.125 1.00 0.00 C ATOM 262 C VAL A 59 0.846 -7.505 -3.318 1.00 0.00 C ATOM 263 O VAL A 59 1.617 -8.470 -3.265 1.00 0.00 O ATOM 264 CB VAL A 59 2.112 -5.874 -1.840 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.643 -5.097 -3.071 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.020 -4.965 -0.598 1.00 0.00 C ATOM 0 H VAL A 59 0.997 -7.511 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.006 -5.776 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 59 2.833 -6.666 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.605 -4.646 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.764 -5.783 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.933 -4.315 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.990 -4.503 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.275 -4.188 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.730 -5.560 0.268 1.00 0.00 H new ATOM 276 N ALA A 60 0.082 -7.218 -4.379 1.00 0.00 N ATOM 277 CA ALA A 60 0.151 -7.943 -5.655 1.00 0.00 C ATOM 278 C ALA A 60 1.439 -7.568 -6.410 1.00 0.00 C ATOM 279 O ALA A 60 1.890 -6.413 -6.357 1.00 0.00 O ATOM 280 CB ALA A 60 -1.093 -7.636 -6.516 1.00 0.00 C ATOM 0 H ALA A 60 -0.609 -6.468 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 60 0.169 -9.013 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.027 -8.180 -7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.991 -7.944 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.141 -6.566 -6.718 1.00 0.00 H new ATOM 286 N ALA A 61 2.027 -8.558 -7.093 1.00 0.00 N ATOM 287 CA ALA A 61 3.250 -8.379 -7.895 1.00 0.00 C ATOM 288 C ALA A 61 2.921 -7.684 -9.219 1.00 0.00 C ATOM 289 O ALA A 61 3.647 -6.789 -9.676 1.00 0.00 O ATOM 290 CB ALA A 61 3.924 -9.737 -8.147 1.00 0.00 C ATOM 0 H ALA A 61 1.668 -9.513 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 61 3.944 -7.748 -7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.826 -9.591 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.187 -10.195 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.237 -10.390 -8.686 1.00 0.00 H new ATOM 296 N ASP A 62 1.796 -8.105 -9.807 1.00 0.00 N ATOM 297 CA ASP A 62 1.293 -7.580 -11.070 1.00 0.00 C ATOM 298 C ASP A 62 0.560 -6.259 -10.780 1.00 0.00 C ATOM 299 O ASP A 62 -0.546 -6.263 -10.229 1.00 0.00 O ATOM 300 CB ASP A 62 0.361 -8.638 -11.729 1.00 0.00 C ATOM 301 CG ASP A 62 -0.215 -8.197 -13.087 1.00 0.00 C ATOM 302 OD1 ASP A 62 0.501 -8.282 -14.105 1.00 0.00 O ATOM 303 OD2 ASP A 62 -1.388 -7.775 -13.146 1.00 0.00 O ATOM 0 H ASP A 62 1.203 -8.833 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 62 2.103 -7.379 -11.771 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.918 -9.565 -11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.462 -8.857 -11.049 1.00 0.00 H new ATOM 308 N GLY A 63 1.234 -5.136 -11.082 1.00 0.00 N ATOM 309 CA GLY A 63 0.698 -3.790 -10.830 1.00 0.00 C ATOM 310 C GLY A 63 1.338 -3.116 -9.621 1.00 0.00 C ATOM 311 O GLY A 63 0.647 -2.505 -8.792 1.00 0.00 O ATOM 0 H GLY A 63 2.162 -5.137 -11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.856 -3.170 -11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.379 -3.856 -10.676 1.00 0.00 H new ATOM 315 N LEU A 64 2.668 -3.254 -9.522 1.00 0.00 N ATOM 316 CA LEU A 64 3.500 -2.539 -8.537 1.00 0.00 C ATOM 317 C LEU A 64 4.463 -1.629 -9.324 1.00 0.00 C ATOM 318 O LEU A 64 5.170 -2.101 -10.222 1.00 0.00 O ATOM 319 CB LEU A 64 4.260 -3.563 -7.623 1.00 0.00 C ATOM 320 CG LEU A 64 4.969 -3.003 -6.320 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.284 -4.139 -5.326 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.266 -2.199 -6.623 1.00 0.00 C ATOM 0 H LEU A 64 3.205 -3.872 -10.130 1.00 0.00 H new ATOM 0 HA LEU A 64 2.891 -1.928 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.549 -4.329 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.018 -4.057 -8.231 1.00 0.00 H new ATOM 0 HG LEU A 64 4.256 -2.311 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.770 -3.725 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.358 -4.633 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.947 -4.863 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.701 -1.844 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.982 -2.842 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.026 -1.346 -7.258 1.00 0.00 H new ATOM 334 N THR A 65 4.452 -0.328 -8.997 1.00 0.00 N ATOM 335 CA THR A 65 5.329 0.696 -9.594 1.00 0.00 C ATOM 336 C THR A 65 5.732 1.726 -8.518 1.00 0.00 C ATOM 337 O THR A 65 4.935 2.048 -7.641 1.00 0.00 O ATOM 338 CB THR A 65 4.602 1.419 -10.785 1.00 0.00 C ATOM 339 OG1 THR A 65 4.212 0.458 -11.778 1.00 0.00 O ATOM 340 CG2 THR A 65 5.474 2.501 -11.456 1.00 0.00 C ATOM 0 H THR A 65 3.819 0.052 -8.294 1.00 0.00 H new ATOM 0 HA THR A 65 6.224 0.209 -9.981 1.00 0.00 H new ATOM 0 HB THR A 65 3.729 1.914 -10.359 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.758 0.916 -12.516 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.917 2.964 -12.271 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.741 3.261 -10.721 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.381 2.044 -11.851 1.00 0.00 H new ATOM 348 N MET A 66 6.969 2.234 -8.594 1.00 0.00 N ATOM 349 CA MET A 66 7.462 3.296 -7.696 1.00 0.00 C ATOM 350 C MET A 66 6.962 4.660 -8.221 1.00 0.00 C ATOM 351 O MET A 66 6.794 4.820 -9.436 1.00 0.00 O ATOM 352 CB MET A 66 9.014 3.265 -7.622 1.00 0.00 C ATOM 353 CG MET A 66 9.612 1.873 -7.343 1.00 0.00 C ATOM 354 SD MET A 66 8.888 1.050 -5.910 1.00 0.00 S ATOM 355 CE MET A 66 9.307 2.170 -4.573 1.00 0.00 C ATOM 0 H MET A 66 7.659 1.923 -9.278 1.00 0.00 H new ATOM 0 HA MET A 66 7.080 3.136 -6.688 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.418 3.638 -8.563 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.342 3.951 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.472 1.244 -8.222 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.687 1.972 -7.190 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.525 1.596 -3.672 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.183 2.756 -4.851 1.00 0.00 H new ATOM 0 HE3 MET A 66 8.468 2.839 -4.383 1.00 0.00 H new ATOM 365 N LEU A 67 6.733 5.636 -7.316 1.00 0.00 N ATOM 366 CA LEU A 67 6.132 6.941 -7.690 1.00 0.00 C ATOM 367 C LEU A 67 7.062 7.772 -8.599 1.00 0.00 C ATOM 368 O LEU A 67 8.293 7.673 -8.507 1.00 0.00 O ATOM 369 CB LEU A 67 5.752 7.764 -6.434 1.00 0.00 C ATOM 370 CG LEU A 67 4.748 7.100 -5.445 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.305 8.100 -4.355 1.00 0.00 C ATOM 372 CD2 LEU A 67 3.539 6.483 -6.184 1.00 0.00 C ATOM 0 H LEU A 67 6.953 5.548 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 67 5.227 6.714 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.667 7.995 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.329 8.713 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 67 5.265 6.279 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.604 7.613 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.177 8.437 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.820 8.957 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.862 6.030 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.012 7.263 -6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.889 5.721 -6.880 1.00 0.00 H new ATOM 384 N ASP A 68 6.442 8.596 -9.459 1.00 0.00 N ATOM 385 CA ASP A 68 7.145 9.442 -10.438 1.00 0.00 C ATOM 386 C ASP A 68 7.593 10.771 -9.778 1.00 0.00 C ATOM 387 O ASP A 68 6.770 11.652 -9.500 1.00 0.00 O ATOM 388 CB ASP A 68 6.241 9.676 -11.694 1.00 0.00 C ATOM 389 CG ASP A 68 4.840 10.247 -11.378 1.00 0.00 C ATOM 390 OD1 ASP A 68 3.973 9.483 -10.889 1.00 0.00 O ATOM 391 OD2 ASP A 68 4.594 11.454 -11.611 1.00 0.00 O ATOM 0 H ASP A 68 5.427 8.695 -9.495 1.00 0.00 H new ATOM 0 HA ASP A 68 8.047 8.933 -10.777 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.753 10.358 -12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.123 8.730 -12.222 1.00 0.00 H new ATOM 396 N GLY A 69 8.911 10.874 -9.494 1.00 0.00 N ATOM 397 CA GLY A 69 9.510 12.072 -8.883 1.00 0.00 C ATOM 398 C GLY A 69 9.001 12.359 -7.467 1.00 0.00 C ATOM 399 O GLY A 69 8.901 13.522 -7.058 1.00 0.00 O ATOM 0 H GLY A 69 9.583 10.130 -9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.593 11.951 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.303 12.935 -9.516 1.00 0.00 H new ATOM 403 N ALA A 70 8.711 11.288 -6.717 1.00 0.00 N ATOM 404 CA ALA A 70 8.118 11.376 -5.368 1.00 0.00 C ATOM 405 C ALA A 70 8.562 10.176 -4.510 1.00 0.00 C ATOM 406 O ALA A 70 8.775 9.085 -5.059 1.00 0.00 O ATOM 407 CB ALA A 70 6.578 11.429 -5.471 1.00 0.00 C ATOM 0 H ALA A 70 8.880 10.331 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 70 8.467 12.290 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.148 11.494 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.282 12.303 -6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.215 10.527 -5.964 1.00 0.00 H new ATOM 413 N PRO A 71 8.737 10.356 -3.157 1.00 0.00 N ATOM 414 CA PRO A 71 8.970 9.226 -2.232 1.00 0.00 C ATOM 415 C PRO A 71 7.669 8.414 -2.040 1.00 0.00 C ATOM 416 O PRO A 71 6.599 8.992 -1.803 1.00 0.00 O ATOM 417 CB PRO A 71 9.425 9.923 -0.922 1.00 0.00 C ATOM 418 CG PRO A 71 8.777 11.272 -0.968 1.00 0.00 C ATOM 419 CD PRO A 71 8.736 11.662 -2.436 1.00 0.00 C ATOM 0 HA PRO A 71 9.708 8.508 -2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.109 9.361 -0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.511 10.006 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.773 11.238 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.344 11.998 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.846 12.246 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.597 12.271 -2.711 1.00 0.00 H new ATOM 427 N GLY A 72 7.763 7.087 -2.180 1.00 0.00 N ATOM 428 CA GLY A 72 6.627 6.189 -1.983 1.00 0.00 C ATOM 429 C GLY A 72 6.543 5.115 -3.052 1.00 0.00 C ATOM 430 O GLY A 72 7.463 4.959 -3.869 1.00 0.00 O ATOM 0 H GLY A 72 8.628 6.609 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.707 5.717 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.705 6.770 -1.983 1.00 0.00 H new ATOM 434 N VAL A 73 5.409 4.405 -3.061 1.00 0.00 N ATOM 435 CA VAL A 73 5.161 3.260 -3.944 1.00 0.00 C ATOM 436 C VAL A 73 3.650 3.134 -4.223 1.00 0.00 C ATOM 437 O VAL A 73 2.821 3.209 -3.301 1.00 0.00 O ATOM 438 CB VAL A 73 5.728 1.915 -3.335 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.146 1.617 -1.925 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.516 0.721 -4.308 1.00 0.00 C ATOM 0 H VAL A 73 4.624 4.614 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 73 5.688 3.436 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 73 6.802 2.050 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.565 0.684 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.403 2.430 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.062 1.528 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.916 -0.189 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.451 0.593 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.032 0.921 -5.247 1.00 0.00 H new ATOM 450 N ARG A 74 3.301 3.003 -5.508 1.00 0.00 N ATOM 451 CA ARG A 74 1.946 2.670 -5.953 1.00 0.00 C ATOM 452 C ARG A 74 1.863 1.150 -6.157 1.00 0.00 C ATOM 453 O ARG A 74 2.716 0.575 -6.827 1.00 0.00 O ATOM 454 CB ARG A 74 1.610 3.402 -7.274 1.00 0.00 C ATOM 455 CG ARG A 74 0.150 3.229 -7.750 1.00 0.00 C ATOM 456 CD ARG A 74 -0.066 3.760 -9.177 1.00 0.00 C ATOM 457 NE ARG A 74 0.368 5.165 -9.325 1.00 0.00 N ATOM 458 CZ ARG A 74 0.777 5.736 -10.465 1.00 0.00 C ATOM 459 NH1 ARG A 74 0.858 5.037 -11.592 1.00 0.00 N ATOM 460 NH2 ARG A 74 1.127 7.013 -10.471 1.00 0.00 N ATOM 0 H ARG A 74 3.961 3.127 -6.276 1.00 0.00 H new ATOM 0 HA ARG A 74 1.225 2.989 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.814 4.465 -7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.279 3.040 -8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.119 2.173 -7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.517 3.752 -7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.484 3.136 -9.881 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.122 3.679 -9.436 1.00 0.00 H new ATOM 0 HE ARG A 74 0.355 5.749 -8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.606 4.049 -11.598 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.172 5.489 -12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.084 7.558 -9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.439 7.452 -11.337 1.00 0.00 H new ATOM 474 N PHE A 75 0.848 0.504 -5.586 1.00 0.00 N ATOM 475 CA PHE A 75 0.688 -0.957 -5.700 1.00 0.00 C ATOM 476 C PHE A 75 -0.782 -1.357 -5.614 1.00 0.00 C ATOM 477 O PHE A 75 -1.612 -0.592 -5.144 1.00 0.00 O ATOM 478 CB PHE A 75 1.534 -1.694 -4.620 1.00 0.00 C ATOM 479 CG PHE A 75 1.187 -1.350 -3.162 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.753 -0.239 -2.532 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.304 -2.143 -2.419 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.459 0.062 -1.215 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.014 -1.842 -1.102 1.00 0.00 C ATOM 484 CZ PHE A 75 0.589 -0.740 -0.501 1.00 0.00 C ATOM 0 H PHE A 75 0.120 0.963 -5.038 1.00 0.00 H new ATOM 0 HA PHE A 75 1.057 -1.260 -6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.415 -2.768 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.586 -1.465 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.432 0.395 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.157 -3.003 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.909 0.924 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.663 -2.470 -0.542 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.359 -0.505 0.528 1.00 0.00 H new ATOM 494 N ARG A 76 -1.080 -2.577 -6.063 1.00 0.00 N ATOM 495 CA ARG A 76 -2.426 -3.157 -6.006 1.00 0.00 C ATOM 496 C ARG A 76 -2.540 -4.019 -4.743 1.00 0.00 C ATOM 497 O ARG A 76 -1.724 -4.916 -4.537 1.00 0.00 O ATOM 498 CB ARG A 76 -2.686 -3.995 -7.283 1.00 0.00 C ATOM 499 CG ARG A 76 -2.870 -3.152 -8.550 1.00 0.00 C ATOM 500 CD ARG A 76 -2.955 -3.994 -9.828 1.00 0.00 C ATOM 501 NE ARG A 76 -4.049 -4.964 -9.794 1.00 0.00 N ATOM 502 CZ ARG A 76 -4.102 -6.096 -10.508 1.00 0.00 C ATOM 503 NH1 ARG A 76 -3.127 -6.422 -11.343 1.00 0.00 N ATOM 504 NH2 ARG A 76 -5.143 -6.891 -10.385 1.00 0.00 N ATOM 0 H ARG A 76 -0.388 -3.198 -6.481 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.178 -2.369 -5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.852 -4.681 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.577 -4.605 -7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.778 -2.557 -8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.038 -2.453 -8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.087 -3.334 -10.685 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.012 -4.521 -9.974 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.835 -4.762 -9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.320 -5.807 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.183 -7.288 -11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.902 -6.643 -9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.192 -7.755 -10.925 1.00 0.00 H new ATOM 518 N LEU A 77 -3.538 -3.731 -3.898 1.00 0.00 N ATOM 519 CA LEU A 77 -3.758 -4.445 -2.636 1.00 0.00 C ATOM 520 C LEU A 77 -4.870 -5.486 -2.823 1.00 0.00 C ATOM 521 O LEU A 77 -6.017 -5.136 -3.138 1.00 0.00 O ATOM 522 CB LEU A 77 -4.141 -3.463 -1.492 1.00 0.00 C ATOM 523 CG LEU A 77 -4.125 -4.078 -0.057 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.688 -4.452 0.349 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.776 -3.133 0.981 1.00 0.00 C ATOM 0 H LEU A 77 -4.219 -2.992 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.829 -4.943 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.454 -2.617 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.138 -3.070 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.725 -4.988 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.693 -4.879 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.289 -5.182 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.063 -3.559 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.745 -3.598 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.230 -2.190 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.813 -2.944 0.702 1.00 0.00 H new ATOM 537 N GLU A 78 -4.493 -6.755 -2.665 1.00 0.00 N ATOM 538 CA GLU A 78 -5.413 -7.895 -2.639 1.00 0.00 C ATOM 539 C GLU A 78 -6.057 -7.969 -1.246 1.00 0.00 C ATOM 540 O GLU A 78 -5.337 -8.141 -0.250 1.00 0.00 O ATOM 541 CB GLU A 78 -4.622 -9.197 -2.928 1.00 0.00 C ATOM 542 CG GLU A 78 -3.708 -9.125 -4.162 1.00 0.00 C ATOM 543 CD GLU A 78 -2.850 -10.384 -4.335 1.00 0.00 C ATOM 544 OE1 GLU A 78 -1.972 -10.623 -3.489 1.00 0.00 O ATOM 545 OE2 GLU A 78 -3.064 -11.154 -5.295 1.00 0.00 O ATOM 0 H GLU A 78 -3.517 -7.026 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.188 -7.777 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.015 -9.440 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.330 -10.015 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.318 -8.980 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.057 -8.255 -4.077 1.00 0.00 H new ATOM 552 N ASP A 79 -7.388 -7.802 -1.174 1.00 0.00 N ATOM 553 CA ASP A 79 -8.128 -7.841 0.103 1.00 0.00 C ATOM 554 C ASP A 79 -8.155 -9.290 0.643 1.00 0.00 C ATOM 555 O ASP A 79 -8.262 -10.248 -0.139 1.00 0.00 O ATOM 556 CB ASP A 79 -9.565 -7.284 -0.093 1.00 0.00 C ATOM 557 CG ASP A 79 -10.333 -7.118 1.232 1.00 0.00 C ATOM 558 OD1 ASP A 79 -10.208 -6.053 1.870 1.00 0.00 O ATOM 559 OD2 ASP A 79 -11.046 -8.057 1.660 1.00 0.00 O ATOM 0 H ASP A 79 -7.978 -7.638 -1.989 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.624 -7.211 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.509 -6.319 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.122 -7.954 -0.748 1.00 0.00 H new ATOM 564 N LYS A 80 -8.044 -9.437 1.977 1.00 0.00 N ATOM 565 CA LYS A 80 -7.939 -10.754 2.647 1.00 0.00 C ATOM 566 C LYS A 80 -9.217 -11.599 2.470 1.00 0.00 C ATOM 567 O LYS A 80 -9.143 -12.822 2.322 1.00 0.00 O ATOM 568 CB LYS A 80 -7.610 -10.564 4.152 1.00 0.00 C ATOM 569 CG LYS A 80 -6.220 -9.935 4.481 1.00 0.00 C ATOM 570 CD LYS A 80 -5.013 -10.913 4.306 1.00 0.00 C ATOM 571 CE LYS A 80 -4.557 -11.128 2.846 1.00 0.00 C ATOM 572 NZ LYS A 80 -3.485 -12.149 2.739 1.00 0.00 N ATOM 0 H LYS A 80 -8.024 -8.648 2.623 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.126 -11.302 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.383 -9.936 4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.670 -11.536 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.066 -9.068 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.233 -9.572 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.170 -10.533 4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.282 -11.879 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.411 -11.435 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.199 -10.184 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.714 -11.782 2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.117 -12.367 3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.871 -13.014 2.310 1.00 0.00 H new ATOM 586 N ASP A 81 -10.382 -10.933 2.490 1.00 0.00 N ATOM 587 CA ASP A 81 -11.681 -11.598 2.275 1.00 0.00 C ATOM 588 C ASP A 81 -11.983 -11.687 0.766 1.00 0.00 C ATOM 589 O ASP A 81 -12.482 -12.707 0.279 1.00 0.00 O ATOM 590 CB ASP A 81 -12.805 -10.830 3.023 1.00 0.00 C ATOM 591 CG ASP A 81 -14.197 -11.476 2.877 1.00 0.00 C ATOM 592 OD1 ASP A 81 -14.495 -12.449 3.612 1.00 0.00 O ATOM 593 OD2 ASP A 81 -15.006 -11.022 2.035 1.00 0.00 O ATOM 0 H ASP A 81 -10.453 -9.929 2.654 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.637 -12.611 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.551 -10.771 4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.847 -9.808 2.647 1.00 0.00 H new ATOM 598 N ASN A 82 -11.643 -10.611 0.032 1.00 0.00 N ATOM 599 CA ASN A 82 -11.976 -10.465 -1.401 1.00 0.00 C ATOM 600 C ASN A 82 -10.698 -10.438 -2.269 1.00 0.00 C ATOM 601 O ASN A 82 -10.108 -9.380 -2.518 1.00 0.00 O ATOM 602 CB ASN A 82 -12.820 -9.179 -1.608 1.00 0.00 C ATOM 603 CG ASN A 82 -13.280 -8.953 -3.057 1.00 0.00 C ATOM 604 OD1 ASN A 82 -13.476 -9.899 -3.822 1.00 0.00 O ATOM 605 ND2 ASN A 82 -13.461 -7.697 -3.431 1.00 0.00 N ATOM 0 H ASN A 82 -11.129 -9.817 0.414 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.563 -11.327 -1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.698 -9.226 -0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.234 -8.318 -1.286 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.773 -7.487 -4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.289 -6.939 -2.771 1.00 0.00 H new ATOM 612 N THR A 83 -10.267 -11.630 -2.714 1.00 0.00 N ATOM 613 CA THR A 83 -9.153 -11.780 -3.664 1.00 0.00 C ATOM 614 C THR A 83 -9.674 -11.742 -5.129 1.00 0.00 C ATOM 615 O THR A 83 -8.921 -11.998 -6.075 1.00 0.00 O ATOM 616 CB THR A 83 -8.352 -13.103 -3.386 1.00 0.00 C ATOM 617 OG1 THR A 83 -7.166 -13.153 -4.200 1.00 0.00 O ATOM 618 CG2 THR A 83 -9.195 -14.373 -3.633 1.00 0.00 C ATOM 0 H THR A 83 -10.681 -12.516 -2.425 1.00 0.00 H new ATOM 0 HA THR A 83 -8.471 -10.941 -3.524 1.00 0.00 H new ATOM 0 HB THR A 83 -8.081 -13.085 -2.330 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.385 -12.877 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.591 -15.256 -3.425 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.065 -14.366 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.525 -14.395 -4.672 1.00 0.00 H new ATOM 626 N SER A 84 -10.966 -11.392 -5.310 1.00 0.00 N ATOM 627 CA SER A 84 -11.589 -11.240 -6.644 1.00 0.00 C ATOM 628 C SER A 84 -11.497 -9.779 -7.133 1.00 0.00 C ATOM 629 O SER A 84 -12.013 -9.446 -8.212 1.00 0.00 O ATOM 630 CB SER A 84 -13.064 -11.701 -6.589 1.00 0.00 C ATOM 631 OG SER A 84 -13.159 -13.046 -6.167 1.00 0.00 O ATOM 0 H SER A 84 -11.606 -11.207 -4.537 1.00 0.00 H new ATOM 0 HA SER A 84 -11.047 -11.865 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.623 -11.062 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 84 -13.520 -11.592 -7.573 1.00 0.00 H new ATOM 0 HG SER A 84 -14.101 -13.314 -6.138 1.00 0.00 H new ATOM 637 N LYS A 85 -10.804 -8.927 -6.354 1.00 0.00 N ATOM 638 CA LYS A 85 -10.681 -7.494 -6.648 1.00 0.00 C ATOM 639 C LYS A 85 -9.466 -6.915 -5.899 1.00 0.00 C ATOM 640 O LYS A 85 -9.244 -7.212 -4.719 1.00 0.00 O ATOM 641 CB LYS A 85 -12.014 -6.753 -6.283 1.00 0.00 C ATOM 642 CG LYS A 85 -12.199 -5.322 -6.871 1.00 0.00 C ATOM 643 CD LYS A 85 -11.497 -4.199 -6.070 1.00 0.00 C ATOM 644 CE LYS A 85 -11.734 -2.806 -6.676 1.00 0.00 C ATOM 645 NZ LYS A 85 -13.174 -2.434 -6.671 1.00 0.00 N ATOM 0 H LYS A 85 -10.316 -9.216 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.513 -7.346 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.849 -7.369 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.081 -6.687 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.820 -5.312 -7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -13.265 -5.100 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.858 -4.210 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.426 -4.398 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.166 -2.065 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.358 -2.787 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.273 -1.427 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.683 -3.009 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.574 -2.606 -5.726 1.00 0.00 H new ATOM 659 N THR A 86 -8.675 -6.111 -6.623 1.00 0.00 N ATOM 660 CA THR A 86 -7.531 -5.367 -6.090 1.00 0.00 C ATOM 661 C THR A 86 -7.809 -3.860 -6.235 1.00 0.00 C ATOM 662 O THR A 86 -8.262 -3.403 -7.296 1.00 0.00 O ATOM 663 CB THR A 86 -6.217 -5.721 -6.864 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.410 -5.496 -8.265 1.00 0.00 O ATOM 665 CG2 THR A 86 -5.780 -7.181 -6.655 1.00 0.00 C ATOM 0 H THR A 86 -8.819 -5.958 -7.621 1.00 0.00 H new ATOM 0 HA THR A 86 -7.397 -5.637 -5.042 1.00 0.00 H new ATOM 0 HB THR A 86 -5.432 -5.077 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.965 -4.699 -8.395 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.864 -7.370 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.601 -7.359 -5.595 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.565 -7.850 -7.007 1.00 0.00 H new ATOM 673 N VAL A 87 -7.546 -3.104 -5.170 1.00 0.00 N ATOM 674 CA VAL A 87 -7.642 -1.627 -5.178 1.00 0.00 C ATOM 675 C VAL A 87 -6.220 -1.076 -5.322 1.00 0.00 C ATOM 676 O VAL A 87 -5.297 -1.632 -4.728 1.00 0.00 O ATOM 677 CB VAL A 87 -8.294 -1.082 -3.837 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.466 0.468 -3.851 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.643 -1.783 -3.545 1.00 0.00 C ATOM 0 H VAL A 87 -7.259 -3.490 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.278 -1.305 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.601 -1.322 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.916 0.793 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.491 0.941 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.111 0.755 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.065 -1.389 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.334 -1.599 -4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.481 -2.856 -3.441 1.00 0.00 H new ATOM 689 N TRP A 88 -6.028 0.011 -6.095 1.00 0.00 N ATOM 690 CA TRP A 88 -4.708 0.665 -6.193 1.00 0.00 C ATOM 691 C TRP A 88 -4.425 1.366 -4.856 1.00 0.00 C ATOM 692 O TRP A 88 -5.356 1.677 -4.121 1.00 0.00 O ATOM 693 CB TRP A 88 -4.665 1.677 -7.368 1.00 0.00 C ATOM 694 CG TRP A 88 -4.699 1.040 -8.737 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.786 0.875 -9.557 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.578 0.486 -9.435 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.401 0.251 -10.722 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.049 0.003 -10.670 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.221 0.353 -9.137 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.214 -0.599 -11.606 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.393 -0.252 -10.056 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.891 -0.718 -11.282 1.00 0.00 C ATOM 0 H TRP A 88 -6.760 0.450 -6.654 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.941 -0.083 -6.395 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.510 2.359 -7.276 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.760 2.278 -7.282 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.793 1.188 -9.324 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.018 0.011 -11.498 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.827 0.719 -8.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.596 -0.958 -12.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.344 -0.370 -9.829 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.215 -1.181 -11.985 1.00 0.00 H new ATOM 713 N VAL A 89 -3.146 1.565 -4.521 1.00 0.00 N ATOM 714 CA VAL A 89 -2.736 2.196 -3.255 1.00 0.00 C ATOM 715 C VAL A 89 -1.604 3.180 -3.532 1.00 0.00 C ATOM 716 O VAL A 89 -0.536 2.783 -4.005 1.00 0.00 O ATOM 717 CB VAL A 89 -2.250 1.160 -2.166 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.881 1.887 -0.843 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.302 0.053 -1.919 1.00 0.00 C ATOM 0 H VAL A 89 -2.364 1.295 -5.117 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.617 2.697 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.354 0.673 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.549 1.156 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.080 2.602 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.755 2.415 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.931 -0.640 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.231 0.505 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.487 -0.487 -2.848 1.00 0.00 H new ATOM 729 N LEU A 90 -1.863 4.448 -3.243 1.00 0.00 N ATOM 730 CA LEU A 90 -0.876 5.516 -3.305 1.00 0.00 C ATOM 731 C LEU A 90 -0.244 5.684 -1.920 1.00 0.00 C ATOM 732 O LEU A 90 -0.791 6.386 -1.069 1.00 0.00 O ATOM 733 CB LEU A 90 -1.559 6.844 -3.741 1.00 0.00 C ATOM 734 CG LEU A 90 -0.635 8.094 -3.838 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.502 7.876 -4.861 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.465 9.356 -4.158 1.00 0.00 C ATOM 0 H LEU A 90 -2.786 4.769 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.106 5.265 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.025 6.686 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.360 7.064 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.161 8.246 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.128 8.767 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.107 7.022 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.074 7.685 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.803 10.220 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.980 9.221 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.199 9.519 -3.369 1.00 0.00 H new ATOM 748 N TYR A 91 0.873 5.002 -1.679 1.00 0.00 N ATOM 749 CA TYR A 91 1.687 5.248 -0.486 1.00 0.00 C ATOM 750 C TYR A 91 2.732 6.308 -0.832 1.00 0.00 C ATOM 751 O TYR A 91 3.460 6.148 -1.804 1.00 0.00 O ATOM 752 CB TYR A 91 2.379 3.956 0.041 1.00 0.00 C ATOM 753 CG TYR A 91 3.361 4.228 1.197 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.907 4.762 2.409 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.739 3.995 1.068 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.780 5.049 3.440 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.612 4.274 2.102 1.00 0.00 C ATOM 758 CZ TYR A 91 5.127 4.803 3.285 1.00 0.00 C ATOM 759 OH TYR A 91 6.002 5.087 4.320 1.00 0.00 O ATOM 0 H TYR A 91 1.237 4.274 -2.293 1.00 0.00 H new ATOM 0 HA TYR A 91 1.034 5.594 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.617 3.253 0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.915 3.477 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.852 4.953 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.124 3.590 0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.408 5.465 4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.668 4.080 1.987 1.00 0.00 H new ATOM 0 HH TYR A 91 6.881 4.702 4.120 1.00 0.00 H new ATOM 769 N LYS A 92 2.755 7.413 -0.076 1.00 0.00 N ATOM 770 CA LYS A 92 3.859 8.383 -0.107 1.00 0.00 C ATOM 771 C LYS A 92 4.682 8.265 1.183 1.00 0.00 C ATOM 772 O LYS A 92 4.115 8.249 2.283 1.00 0.00 O ATOM 773 CB LYS A 92 3.312 9.822 -0.279 1.00 0.00 C ATOM 774 CG LYS A 92 2.577 10.049 -1.615 1.00 0.00 C ATOM 775 CD LYS A 92 2.051 11.487 -1.769 1.00 0.00 C ATOM 776 CE LYS A 92 1.339 11.713 -3.107 1.00 0.00 C ATOM 777 NZ LYS A 92 0.798 13.090 -3.225 1.00 0.00 N ATOM 0 H LYS A 92 2.009 7.660 0.575 1.00 0.00 H new ATOM 0 HA LYS A 92 4.503 8.165 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.631 10.043 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.140 10.527 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.254 9.824 -2.439 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.742 9.352 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.362 11.708 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.883 12.186 -1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.036 11.526 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.526 10.994 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.325 13.199 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.113 13.261 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.576 13.776 -3.152 1.00 0.00 H new ATOM 791 N GLY A 93 6.009 8.149 1.034 1.00 0.00 N ATOM 792 CA GLY A 93 6.938 8.081 2.165 1.00 0.00 C ATOM 793 C GLY A 93 8.074 7.099 1.914 1.00 0.00 C ATOM 794 O GLY A 93 8.291 6.668 0.777 1.00 0.00 O ATOM 0 H GLY A 93 6.467 8.100 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.351 9.072 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.395 7.785 3.063 1.00 0.00 H new ATOM 798 N ALA A 94 8.799 6.753 2.987 1.00 0.00 N ATOM 799 CA ALA A 94 9.907 5.787 2.943 1.00 0.00 C ATOM 800 C ALA A 94 9.391 4.359 2.706 1.00 0.00 C ATOM 801 O ALA A 94 8.604 3.832 3.511 1.00 0.00 O ATOM 802 CB ALA A 94 10.718 5.858 4.243 1.00 0.00 C ATOM 0 H ALA A 94 8.632 7.138 3.917 1.00 0.00 H new ATOM 0 HA ALA A 94 10.555 6.048 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.536 5.139 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.123 6.862 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.071 5.623 5.088 1.00 0.00 H new ATOM 808 N VAL A 95 9.820 3.756 1.589 1.00 0.00 N ATOM 809 CA VAL A 95 9.476 2.375 1.215 1.00 0.00 C ATOM 810 C VAL A 95 10.474 1.406 1.878 1.00 0.00 C ATOM 811 O VAL A 95 11.675 1.474 1.575 1.00 0.00 O ATOM 812 CB VAL A 95 9.491 2.182 -0.348 1.00 0.00 C ATOM 813 CG1 VAL A 95 9.045 0.754 -0.762 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.628 3.262 -1.026 1.00 0.00 C ATOM 0 H VAL A 95 10.424 4.219 0.910 1.00 0.00 H new ATOM 0 HA VAL A 95 8.466 2.163 1.564 1.00 0.00 H new ATOM 0 HB VAL A 95 10.519 2.297 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.070 0.665 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.720 0.020 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.031 0.572 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.647 3.118 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.602 3.186 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.024 4.248 -0.785 1.00 0.00 H new ATOM 824 N PRO A 96 10.009 0.509 2.809 1.00 0.00 N ATOM 825 CA PRO A 96 10.895 -0.438 3.536 1.00 0.00 C ATOM 826 C PRO A 96 11.615 -1.462 2.623 1.00 0.00 C ATOM 827 O PRO A 96 11.153 -1.755 1.515 1.00 0.00 O ATOM 828 CB PRO A 96 9.929 -1.164 4.512 1.00 0.00 C ATOM 829 CG PRO A 96 8.728 -0.279 4.611 1.00 0.00 C ATOM 830 CD PRO A 96 8.595 0.361 3.251 1.00 0.00 C ATOM 0 HA PRO A 96 11.711 0.095 4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.660 -2.151 4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.392 -1.309 5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.836 -0.852 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.856 0.473 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.022 -0.263 2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.087 1.324 3.306 1.00 0.00 H new ATOM 838 N ASP A 97 12.740 -2.005 3.130 1.00 0.00 N ATOM 839 CA ASP A 97 13.462 -3.148 2.511 1.00 0.00 C ATOM 840 C ASP A 97 12.622 -4.435 2.622 1.00 0.00 C ATOM 841 O ASP A 97 12.737 -5.342 1.788 1.00 0.00 O ATOM 842 CB ASP A 97 14.846 -3.365 3.193 1.00 0.00 C ATOM 843 CG ASP A 97 15.829 -2.208 2.945 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.739 -1.170 3.639 1.00 0.00 O ATOM 845 OD2 ASP A 97 16.688 -2.316 2.038 1.00 0.00 O ATOM 0 H ASP A 97 13.180 -1.665 3.985 1.00 0.00 H new ATOM 0 HA ASP A 97 13.624 -2.914 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.700 -3.486 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.285 -4.292 2.824 1.00 0.00 H new ATOM 850 N THR A 98 11.777 -4.484 3.662 1.00 0.00 N ATOM 851 CA THR A 98 10.877 -5.615 3.922 1.00 0.00 C ATOM 852 C THR A 98 9.609 -5.541 3.044 1.00 0.00 C ATOM 853 O THR A 98 8.866 -6.525 2.926 1.00 0.00 O ATOM 854 CB THR A 98 10.498 -5.692 5.439 1.00 0.00 C ATOM 855 OG1 THR A 98 9.613 -6.791 5.672 1.00 0.00 O ATOM 856 CG2 THR A 98 9.866 -4.402 5.969 1.00 0.00 C ATOM 0 H THR A 98 11.699 -3.735 4.350 1.00 0.00 H new ATOM 0 HA THR A 98 11.411 -6.527 3.657 1.00 0.00 H new ATOM 0 HB THR A 98 11.431 -5.838 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.447 -6.879 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.627 -4.521 7.026 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.567 -3.576 5.847 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.953 -4.189 5.412 1.00 0.00 H new ATOM 864 N PHE A 99 9.358 -4.365 2.435 1.00 0.00 N ATOM 865 CA PHE A 99 8.290 -4.207 1.440 1.00 0.00 C ATOM 866 C PHE A 99 8.770 -4.782 0.101 1.00 0.00 C ATOM 867 O PHE A 99 9.713 -4.266 -0.503 1.00 0.00 O ATOM 868 CB PHE A 99 7.880 -2.721 1.280 1.00 0.00 C ATOM 869 CG PHE A 99 6.702 -2.502 0.318 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.388 -2.576 0.768 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.913 -2.239 -1.037 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.330 -2.388 -0.098 1.00 0.00 C ATOM 873 CE2 PHE A 99 5.854 -2.056 -1.901 1.00 0.00 C ATOM 874 CZ PHE A 99 4.563 -2.131 -1.433 1.00 0.00 C ATOM 0 H PHE A 99 9.885 -3.511 2.619 1.00 0.00 H new ATOM 0 HA PHE A 99 7.407 -4.749 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.617 -2.319 2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.739 -2.153 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.193 -2.783 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.923 -2.178 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.316 -2.442 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.038 -1.854 -2.946 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.733 -1.989 -2.109 1.00 0.00 H new ATOM 884 N LYS A 100 8.120 -5.860 -0.330 1.00 0.00 N ATOM 885 CA LYS A 100 8.385 -6.525 -1.611 1.00 0.00 C ATOM 886 C LYS A 100 7.056 -7.102 -2.169 1.00 0.00 C ATOM 887 O LYS A 100 6.143 -7.359 -1.389 1.00 0.00 O ATOM 888 CB LYS A 100 9.507 -7.623 -1.442 1.00 0.00 C ATOM 889 CG LYS A 100 9.588 -8.344 -0.063 1.00 0.00 C ATOM 890 CD LYS A 100 8.344 -9.190 0.287 1.00 0.00 C ATOM 891 CE LYS A 100 8.449 -9.854 1.674 1.00 0.00 C ATOM 892 NZ LYS A 100 9.570 -10.832 1.753 1.00 0.00 N ATOM 0 H LYS A 100 7.379 -6.308 0.209 1.00 0.00 H new ATOM 0 HA LYS A 100 8.766 -5.807 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.359 -8.380 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.472 -7.155 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.466 -8.990 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.735 -7.596 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.458 -8.556 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.209 -9.961 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.588 -9.084 2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.512 -10.361 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.547 -11.313 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.471 -11.535 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.475 -10.332 1.646 1.00 0.00 H new ATOM 906 N PRO A 101 6.914 -7.299 -3.518 1.00 0.00 N ATOM 907 CA PRO A 101 5.695 -7.910 -4.118 1.00 0.00 C ATOM 908 C PRO A 101 5.368 -9.301 -3.508 1.00 0.00 C ATOM 909 O PRO A 101 6.040 -10.296 -3.797 1.00 0.00 O ATOM 910 CB PRO A 101 6.047 -7.996 -5.635 1.00 0.00 C ATOM 911 CG PRO A 101 7.537 -7.848 -5.702 1.00 0.00 C ATOM 912 CD PRO A 101 7.890 -6.918 -4.571 1.00 0.00 C ATOM 0 HA PRO A 101 4.795 -7.326 -3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.726 -8.947 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.547 -7.209 -6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.034 -8.811 -5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.850 -7.438 -6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.919 -7.057 -4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.787 -5.872 -4.860 1.00 0.00 H new ATOM 920 N GLY A 102 4.363 -9.330 -2.606 1.00 0.00 N ATOM 921 CA GLY A 102 3.993 -10.547 -1.873 1.00 0.00 C ATOM 922 C GLY A 102 3.868 -10.332 -0.364 1.00 0.00 C ATOM 923 O GLY A 102 3.393 -11.224 0.345 1.00 0.00 O ATOM 0 H GLY A 102 3.794 -8.516 -2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.045 -10.921 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.740 -11.318 -2.062 1.00 0.00 H new ATOM 927 N VAL A 103 4.304 -9.155 0.141 1.00 0.00 N ATOM 928 CA VAL A 103 4.234 -8.838 1.591 1.00 0.00 C ATOM 929 C VAL A 103 2.797 -8.432 1.993 1.00 0.00 C ATOM 930 O VAL A 103 2.137 -7.687 1.266 1.00 0.00 O ATOM 931 CB VAL A 103 5.260 -7.701 2.011 1.00 0.00 C ATOM 932 CG1 VAL A 103 4.965 -6.351 1.315 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.317 -7.531 3.556 1.00 0.00 C ATOM 0 H VAL A 103 4.706 -8.411 -0.429 1.00 0.00 H new ATOM 0 HA VAL A 103 4.514 -9.745 2.126 1.00 0.00 H new ATOM 0 HB VAL A 103 6.242 -8.027 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.695 -5.609 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.028 -6.477 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.963 -6.015 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.029 -6.745 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.329 -7.260 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.633 -8.468 4.014 1.00 0.00 H new ATOM 943 N GLU A 104 2.314 -8.955 3.133 1.00 0.00 N ATOM 944 CA GLU A 104 1.052 -8.528 3.738 1.00 0.00 C ATOM 945 C GLU A 104 1.283 -7.182 4.415 1.00 0.00 C ATOM 946 O GLU A 104 2.179 -7.065 5.244 1.00 0.00 O ATOM 947 CB GLU A 104 0.540 -9.570 4.771 1.00 0.00 C ATOM 948 CG GLU A 104 0.325 -10.983 4.204 1.00 0.00 C ATOM 949 CD GLU A 104 -0.411 -11.906 5.186 1.00 0.00 C ATOM 950 OE1 GLU A 104 0.242 -12.468 6.095 1.00 0.00 O ATOM 951 OE2 GLU A 104 -1.649 -12.051 5.068 1.00 0.00 O ATOM 0 H GLU A 104 2.793 -9.687 3.658 1.00 0.00 H new ATOM 0 HA GLU A 104 0.290 -8.440 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.253 -9.628 5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.401 -9.214 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.245 -10.916 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.291 -11.421 3.953 1.00 0.00 H new ATOM 958 N VAL A 105 0.517 -6.165 4.023 1.00 0.00 N ATOM 959 CA VAL A 105 0.643 -4.811 4.579 1.00 0.00 C ATOM 960 C VAL A 105 -0.685 -4.324 5.155 1.00 0.00 C ATOM 961 O VAL A 105 -1.772 -4.775 4.769 1.00 0.00 O ATOM 962 CB VAL A 105 1.177 -3.768 3.523 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.611 -4.116 3.052 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.207 -3.613 2.324 1.00 0.00 C ATOM 0 H VAL A 105 -0.209 -6.252 3.312 1.00 0.00 H new ATOM 0 HA VAL A 105 1.379 -4.881 5.380 1.00 0.00 H new ATOM 0 HB VAL A 105 1.224 -2.802 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.945 -3.375 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.286 -4.114 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.613 -5.104 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.612 -2.886 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.089 -4.575 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.763 -3.269 2.683 1.00 0.00 H new ATOM 974 N ILE A 106 -0.556 -3.394 6.101 1.00 0.00 N ATOM 975 CA ILE A 106 -1.653 -2.641 6.671 1.00 0.00 C ATOM 976 C ILE A 106 -1.433 -1.188 6.254 1.00 0.00 C ATOM 977 O ILE A 106 -0.480 -0.544 6.710 1.00 0.00 O ATOM 978 CB ILE A 106 -1.673 -2.748 8.238 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.720 -4.239 8.697 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.846 -1.933 8.838 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.672 -4.434 10.202 1.00 0.00 C ATOM 0 H ILE A 106 0.349 -3.142 6.499 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.607 -3.030 6.316 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.746 -2.316 8.616 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.632 -4.696 8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.882 -4.772 8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.835 -2.025 9.924 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.739 -0.884 8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.790 -2.316 8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.709 -5.499 10.432 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.748 -4.010 10.595 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.525 -3.933 10.661 1.00 0.00 H new ATOM 993 N ILE A 107 -2.277 -0.695 5.358 1.00 0.00 N ATOM 994 CA ILE A 107 -2.211 0.691 4.884 1.00 0.00 C ATOM 995 C ILE A 107 -3.218 1.527 5.675 1.00 0.00 C ATOM 996 O ILE A 107 -4.206 0.999 6.201 1.00 0.00 O ATOM 997 CB ILE A 107 -2.504 0.785 3.337 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.956 0.297 3.007 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.450 -0.018 2.535 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.361 0.392 1.551 1.00 0.00 C ATOM 0 H ILE A 107 -3.029 -1.240 4.936 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.203 1.075 5.043 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.433 1.831 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.053 -0.741 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.660 0.880 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.668 0.058 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.457 0.386 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.482 -1.065 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.382 0.029 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.305 1.430 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.688 -0.215 0.946 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.949 2.823 5.789 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.806 3.752 6.517 1.00 0.00 C ATOM 1014 C GLU A 108 -3.777 5.111 5.825 1.00 0.00 C ATOM 1015 O GLU A 108 -2.705 5.604 5.461 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.344 3.876 7.983 1.00 0.00 C ATOM 1017 CG GLU A 108 -4.129 4.902 8.803 1.00 0.00 C ATOM 1018 CD GLU A 108 -3.563 5.104 10.208 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -2.470 5.701 10.327 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -4.207 4.684 11.193 1.00 0.00 O ATOM 0 H GLU A 108 -2.125 3.261 5.377 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.829 3.375 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.430 2.901 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.288 4.147 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.129 5.856 8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.168 4.580 8.879 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.959 5.699 5.665 1.00 0.00 N ATOM 1028 CA GLY A 109 -5.132 6.980 5.017 1.00 0.00 C ATOM 1029 C GLY A 109 -6.598 7.206 4.709 1.00 0.00 C ATOM 1030 O GLY A 109 -7.405 7.294 5.634 1.00 0.00 O ATOM 0 H GLY A 109 -5.833 5.286 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.759 7.777 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.548 7.014 4.097 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.941 7.265 3.419 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.328 7.349 2.979 1.00 0.00 C ATOM 1036 C GLY A 110 -8.456 7.172 1.479 1.00 0.00 C ATOM 1037 O GLY A 110 -7.463 7.230 0.748 1.00 0.00 O ATOM 0 H GLY A 110 -6.264 7.256 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.917 6.585 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.743 8.315 3.267 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.687 6.949 1.025 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.021 6.768 -0.396 1.00 0.00 C ATOM 1043 C LEU A 111 -11.015 7.860 -0.818 1.00 0.00 C ATOM 1044 O LEU A 111 -12.075 8.015 -0.197 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.627 5.354 -0.607 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.013 4.957 -2.070 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -9.794 5.028 -3.022 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.672 3.554 -2.103 1.00 0.00 C ATOM 0 H LEU A 111 -10.498 6.887 1.640 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.125 6.853 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.912 4.620 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.520 5.272 0.013 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.743 5.683 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.102 4.745 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.401 6.045 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.020 4.344 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.932 3.298 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.974 2.815 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.574 3.561 -1.491 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.645 8.638 -1.845 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.497 9.696 -2.403 1.00 0.00 C ATOM 1062 C ALA A 112 -12.352 9.125 -3.557 1.00 0.00 C ATOM 1063 O ALA A 112 -11.803 8.420 -4.422 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.637 10.868 -2.900 1.00 0.00 C ATOM 0 H ALA A 112 -9.743 8.550 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.161 10.066 -1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -11.282 11.644 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.063 11.276 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.955 10.516 -3.674 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.706 9.397 -3.586 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.598 8.952 -4.684 1.00 0.00 C ATOM 1072 C PRO A 113 -14.238 9.640 -6.027 1.00 0.00 C ATOM 1073 O PRO A 113 -14.729 10.727 -6.349 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.020 9.323 -4.173 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.796 10.433 -3.194 1.00 0.00 C ATOM 1076 CD PRO A 113 -14.465 10.135 -2.541 1.00 0.00 C ATOM 0 HA PRO A 113 -14.511 7.888 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.664 9.642 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.505 8.470 -3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.779 11.401 -3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -16.596 10.471 -2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.951 11.050 -2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.589 9.535 -1.639 1.00 0.00 H new ATOM 1084 N GLY A 114 -13.329 8.992 -6.765 1.00 0.00 N ATOM 1085 CA GLY A 114 -12.800 9.515 -8.018 1.00 0.00 C ATOM 1086 C GLY A 114 -11.464 8.879 -8.338 1.00 0.00 C ATOM 1087 O GLY A 114 -11.168 8.564 -9.500 1.00 0.00 O ATOM 0 H GLY A 114 -12.941 8.086 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -13.505 9.320 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.687 10.597 -7.948 1.00 0.00 H new ATOM 1091 N GLU A 115 -10.645 8.694 -7.292 1.00 0.00 N ATOM 1092 CA GLU A 115 -9.363 7.978 -7.384 1.00 0.00 C ATOM 1093 C GLU A 115 -9.605 6.478 -7.159 1.00 0.00 C ATOM 1094 O GLU A 115 -10.268 6.086 -6.192 1.00 0.00 O ATOM 1095 CB GLU A 115 -8.327 8.528 -6.342 1.00 0.00 C ATOM 1096 CG GLU A 115 -7.629 9.859 -6.723 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.588 11.051 -6.887 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -8.940 11.684 -5.866 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -8.996 11.355 -8.033 1.00 0.00 O ATOM 0 H GLU A 115 -10.854 9.038 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.944 8.137 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.838 8.667 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.560 7.769 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.893 10.102 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.083 9.716 -7.655 1.00 0.00 H new ATOM 1106 N ASP A 116 -9.079 5.659 -8.080 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.004 4.192 -7.906 1.00 0.00 C ATOM 1108 C ASP A 116 -7.909 3.836 -6.883 1.00 0.00 C ATOM 1109 O ASP A 116 -7.859 2.706 -6.382 1.00 0.00 O ATOM 1110 CB ASP A 116 -8.716 3.483 -9.256 1.00 0.00 C ATOM 1111 CG ASP A 116 -9.826 3.700 -10.298 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -10.863 3.012 -10.227 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -9.674 4.567 -11.187 1.00 0.00 O ATOM 0 H ASP A 116 -8.693 5.988 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.969 3.845 -7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -7.771 3.849 -9.658 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -8.595 2.414 -9.080 1.00 0.00 H new ATOM 1118 N THR A 117 -7.025 4.818 -6.611 1.00 0.00 N ATOM 1119 CA THR A 117 -5.904 4.672 -5.684 1.00 0.00 C ATOM 1120 C THR A 117 -6.257 5.189 -4.264 1.00 0.00 C ATOM 1121 O THR A 117 -6.771 6.305 -4.084 1.00 0.00 O ATOM 1122 CB THR A 117 -4.624 5.372 -6.257 1.00 0.00 C ATOM 1123 OG1 THR A 117 -3.487 5.017 -5.480 1.00 0.00 O ATOM 1124 CG2 THR A 117 -4.730 6.910 -6.337 1.00 0.00 C ATOM 0 H THR A 117 -7.078 5.743 -7.039 1.00 0.00 H new ATOM 0 HA THR A 117 -5.689 3.608 -5.582 1.00 0.00 H new ATOM 0 HB THR A 117 -4.522 5.015 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.688 5.024 -6.047 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.804 7.318 -6.743 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.563 7.184 -6.985 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.898 7.316 -5.339 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.039 4.309 -3.278 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.196 4.591 -1.852 1.00 0.00 C ATOM 1134 C PHE A 118 -4.996 5.415 -1.366 1.00 0.00 C ATOM 1135 O PHE A 118 -3.868 4.919 -1.343 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.298 3.253 -1.063 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.619 3.406 0.430 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.617 3.681 1.370 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.923 3.263 0.892 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -5.915 3.806 2.710 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -8.218 3.391 2.231 1.00 0.00 C ATOM 1142 CZ PHE A 118 -7.214 3.658 3.138 1.00 0.00 C ATOM 0 H PHE A 118 -5.739 3.351 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.109 5.162 -1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.068 2.634 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.355 2.716 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.595 3.797 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.716 3.048 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -5.131 4.019 3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -9.237 3.282 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 118 -7.448 3.751 4.188 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.260 6.657 -0.954 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.226 7.590 -0.490 1.00 0.00 C ATOM 1154 C LYS A 119 -3.764 7.172 0.925 1.00 0.00 C ATOM 1155 O LYS A 119 -4.364 7.564 1.928 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.817 9.020 -0.473 1.00 0.00 C ATOM 1157 CG LYS A 119 -5.461 9.476 -1.806 1.00 0.00 C ATOM 1158 CD LYS A 119 -6.355 10.721 -1.607 1.00 0.00 C ATOM 1159 CE LYS A 119 -7.033 11.190 -2.895 1.00 0.00 C ATOM 1160 NZ LYS A 119 -6.060 11.712 -3.872 1.00 0.00 N ATOM 0 H LYS A 119 -6.202 7.048 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.364 7.570 -1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.568 9.078 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.025 9.721 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.679 9.701 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.056 8.662 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.119 10.496 -0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.750 11.534 -1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.583 10.360 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.762 11.965 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.564 12.050 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.529 12.499 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.400 10.955 -4.143 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.722 6.337 0.981 1.00 0.00 N ATOM 1175 CA ALA A 120 -2.160 5.817 2.228 1.00 0.00 C ATOM 1176 C ALA A 120 -0.991 6.693 2.696 1.00 0.00 C ATOM 1177 O ALA A 120 0.046 6.768 2.023 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.697 4.361 2.034 1.00 0.00 C ATOM 0 H ALA A 120 -2.239 5.999 0.148 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.934 5.839 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -1.281 3.984 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.547 3.745 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.935 4.322 1.255 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.179 7.375 3.837 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.102 8.126 4.508 1.00 0.00 C ATOM 1186 C ARG A 121 0.864 7.150 5.209 1.00 0.00 C ATOM 1187 O ARG A 121 2.047 7.452 5.391 1.00 0.00 O ATOM 1188 CB ARG A 121 -0.668 9.117 5.568 1.00 0.00 C ATOM 1189 CG ARG A 121 -1.371 8.444 6.774 1.00 0.00 C ATOM 1190 CD ARG A 121 -1.508 9.366 7.994 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.986 8.636 9.184 1.00 0.00 N ATOM 1192 CZ ARG A 121 -2.160 9.179 10.395 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -1.998 10.481 10.592 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -2.507 8.418 11.412 1.00 0.00 N ATOM 0 H ARG A 121 -2.076 7.422 4.320 1.00 0.00 H new ATOM 0 HA ARG A 121 0.424 8.696 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.149 9.735 5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.376 9.785 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.362 8.111 6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.810 7.555 7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.544 9.825 8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.201 10.175 7.762 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.200 7.644 9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.737 11.086 9.813 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.135 10.877 11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.643 7.416 11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.640 8.830 12.335 1.00 0.00 H new ATOM 1208 N THR A 122 0.336 5.968 5.587 1.00 0.00 N ATOM 1209 CA THR A 122 1.027 5.007 6.448 1.00 0.00 C ATOM 1210 C THR A 122 1.048 3.632 5.756 1.00 0.00 C ATOM 1211 O THR A 122 0.105 3.266 5.041 1.00 0.00 O ATOM 1212 CB THR A 122 0.318 4.883 7.849 1.00 0.00 C ATOM 1213 OG1 THR A 122 0.073 6.184 8.405 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.144 4.082 8.866 1.00 0.00 C ATOM 0 H THR A 122 -0.591 5.658 5.296 1.00 0.00 H new ATOM 0 HA THR A 122 2.045 5.360 6.614 1.00 0.00 H new ATOM 0 HB THR A 122 -0.617 4.353 7.666 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.675 6.134 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 122 0.605 4.030 9.812 1.00 0.00 H new ATOM 0 HG22 THR A 122 1.309 3.074 8.487 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.105 4.573 9.022 1.00 0.00 H new ATOM 1222 N LEU A 123 2.138 2.901 5.985 1.00 0.00 N ATOM 1223 CA LEU A 123 2.361 1.549 5.467 1.00 0.00 C ATOM 1224 C LEU A 123 2.955 0.716 6.606 1.00 0.00 C ATOM 1225 O LEU A 123 3.878 1.176 7.292 1.00 0.00 O ATOM 1226 CB LEU A 123 3.338 1.606 4.269 1.00 0.00 C ATOM 1227 CG LEU A 123 3.632 0.270 3.526 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.369 -0.266 2.812 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.815 0.443 2.546 1.00 0.00 C ATOM 0 H LEU A 123 2.914 3.242 6.553 1.00 0.00 H new ATOM 0 HA LEU A 123 1.429 1.102 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.941 2.316 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.286 2.010 4.625 1.00 0.00 H new ATOM 0 HG LEU A 123 3.920 -0.477 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.608 -1.200 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.584 -0.444 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.024 0.467 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.006 -0.501 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.569 1.209 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.705 0.743 3.099 1.00 0.00 H new ATOM 1241 N MET A 124 2.419 -0.488 6.819 1.00 0.00 N ATOM 1242 CA MET A 124 2.849 -1.367 7.919 1.00 0.00 C ATOM 1243 C MET A 124 3.035 -2.801 7.396 1.00 0.00 C ATOM 1244 O MET A 124 2.075 -3.565 7.285 1.00 0.00 O ATOM 1245 CB MET A 124 1.805 -1.312 9.067 1.00 0.00 C ATOM 1246 CG MET A 124 2.180 -2.090 10.334 1.00 0.00 C ATOM 1247 SD MET A 124 0.810 -2.222 11.507 1.00 0.00 S ATOM 1248 CE MET A 124 0.363 -0.500 11.765 1.00 0.00 C ATOM 0 H MET A 124 1.678 -0.883 6.240 1.00 0.00 H new ATOM 0 HA MET A 124 3.806 -1.026 8.314 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.641 -0.269 9.337 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.857 -1.697 8.692 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.512 -3.090 10.056 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.023 -1.599 10.820 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.286 -0.419 12.637 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.265 0.090 11.928 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.162 -0.125 10.886 1.00 0.00 H new ATOM 1258 N THR A 125 4.281 -3.145 7.070 1.00 0.00 N ATOM 1259 CA THR A 125 4.656 -4.474 6.579 1.00 0.00 C ATOM 1260 C THR A 125 4.591 -5.497 7.736 1.00 0.00 C ATOM 1261 O THR A 125 5.269 -5.336 8.749 1.00 0.00 O ATOM 1262 CB THR A 125 6.094 -4.416 5.966 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.969 -3.734 6.885 1.00 0.00 O ATOM 1264 CG2 THR A 125 6.128 -3.689 4.604 1.00 0.00 C ATOM 0 H THR A 125 5.069 -2.501 7.140 1.00 0.00 H new ATOM 0 HA THR A 125 3.959 -4.790 5.803 1.00 0.00 H new ATOM 0 HB THR A 125 6.422 -5.442 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.777 -4.029 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 125 7.149 -3.677 4.223 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.483 -4.211 3.897 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.776 -2.665 4.729 1.00 0.00 H new ATOM 1272 N LYS A 126 3.774 -6.545 7.566 1.00 0.00 N ATOM 1273 CA LYS A 126 3.481 -7.543 8.618 1.00 0.00 C ATOM 1274 C LYS A 126 4.407 -8.767 8.504 1.00 0.00 C ATOM 1275 O LYS A 126 4.286 -9.714 9.285 1.00 0.00 O ATOM 1276 CB LYS A 126 1.970 -7.948 8.566 1.00 0.00 C ATOM 1277 CG LYS A 126 1.071 -7.149 9.543 1.00 0.00 C ATOM 1278 CD LYS A 126 1.338 -7.548 11.021 1.00 0.00 C ATOM 1279 CE LYS A 126 0.531 -6.728 12.040 1.00 0.00 C ATOM 1280 NZ LYS A 126 0.989 -5.314 12.094 1.00 0.00 N ATOM 0 H LYS A 126 3.290 -6.731 6.687 1.00 0.00 H new ATOM 0 HA LYS A 126 3.678 -7.092 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.601 -7.806 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.881 -9.011 8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.252 -6.082 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.023 -7.326 9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.103 -8.604 11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.401 -7.430 11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.526 -6.758 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.626 -7.179 13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.198 -4.704 12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.764 -5.226 12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 1.326 -5.022 11.154 1.00 0.00 H new ATOM 1294 N CYS A 127 5.320 -8.734 7.521 1.00 0.00 N ATOM 1295 CA CYS A 127 6.424 -9.697 7.418 1.00 0.00 C ATOM 1296 C CYS A 127 7.671 -9.077 8.076 1.00 0.00 C ATOM 1297 O CYS A 127 8.216 -8.109 7.537 1.00 0.00 O ATOM 1298 CB CYS A 127 6.711 -10.050 5.935 1.00 0.00 C ATOM 1299 SG CYS A 127 8.079 -11.209 5.697 1.00 0.00 S ATOM 0 H CYS A 127 5.312 -8.038 6.775 1.00 0.00 H new ATOM 0 HA CYS A 127 6.154 -10.621 7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 127 5.809 -10.475 5.494 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.930 -9.131 5.391 1.00 0.00 H new ATOM 0 HG CYS A 127 8.236 -11.440 4.427 1.00 0.00 H new ATOM 1305 N PRO A 128 8.105 -9.560 9.290 1.00 0.00 N ATOM 1306 CA PRO A 128 9.388 -9.136 9.902 1.00 0.00 C ATOM 1307 C PRO A 128 10.586 -9.624 9.061 1.00 0.00 C ATOM 1308 O PRO A 128 10.693 -10.819 8.784 1.00 0.00 O ATOM 1309 CB PRO A 128 9.367 -9.803 11.317 1.00 0.00 C ATOM 1310 CG PRO A 128 7.934 -10.182 11.544 1.00 0.00 C ATOM 1311 CD PRO A 128 7.384 -10.510 10.174 1.00 0.00 C ATOM 0 HA PRO A 128 9.495 -8.053 9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.017 -10.677 11.351 1.00 0.00 H new ATOM 0 HB3 PRO A 128 9.720 -9.113 12.084 1.00 0.00 H new ATOM 0 HG2 PRO A 128 7.855 -11.038 12.214 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.380 -9.364 12.005 1.00 0.00 H new ATOM 0 HD2 PRO A 128 7.579 -11.546 9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.305 -10.366 10.127 1.00 0.00 H new ATOM 1319 N LEU A 129 11.431 -8.688 8.610 1.00 0.00 N ATOM 1320 CA LEU A 129 12.694 -8.994 7.915 1.00 0.00 C ATOM 1321 C LEU A 129 13.848 -8.904 8.926 1.00 0.00 C ATOM 1322 O LEU A 129 14.173 -7.810 9.406 1.00 0.00 O ATOM 1323 CB LEU A 129 12.918 -8.009 6.733 1.00 0.00 C ATOM 1324 CG LEU A 129 14.116 -8.331 5.785 1.00 0.00 C ATOM 1325 CD1 LEU A 129 13.916 -9.684 5.055 1.00 0.00 C ATOM 1326 CD2 LEU A 129 14.363 -7.173 4.783 1.00 0.00 C ATOM 0 H LEU A 129 11.259 -7.688 8.717 1.00 0.00 H new ATOM 0 HA LEU A 129 12.652 -10.002 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.007 -7.978 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 129 13.064 -7.010 7.143 1.00 0.00 H new ATOM 0 HG LEU A 129 15.009 -8.428 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.769 -9.876 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.833 -10.485 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.005 -9.644 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 129 15.203 -7.425 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 129 13.470 -7.020 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 129 14.589 -6.259 5.332 1.00 0.00 H new ATOM 1338 N GLU A 130 14.439 -10.061 9.256 1.00 0.00 N ATOM 1339 CA GLU A 130 15.486 -10.169 10.287 1.00 0.00 C ATOM 1340 C GLU A 130 16.790 -9.509 9.778 1.00 0.00 C ATOM 1341 O GLU A 130 17.149 -8.413 10.256 1.00 0.00 O ATOM 1342 CB GLU A 130 15.754 -11.655 10.689 1.00 0.00 C ATOM 1343 CG GLU A 130 14.526 -12.462 11.172 1.00 0.00 C ATOM 1344 CD GLU A 130 13.546 -12.865 10.054 1.00 0.00 C ATOM 1345 OE1 GLU A 130 14.006 -13.302 8.971 1.00 0.00 O ATOM 1346 OE2 GLU A 130 12.317 -12.759 10.246 1.00 0.00 O ATOM 0 H GLU A 130 14.205 -10.951 8.816 1.00 0.00 H new ATOM 0 HA GLU A 130 15.135 -9.648 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 130 16.187 -12.170 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 130 16.504 -11.666 11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 130 14.875 -13.364 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 130 13.988 -11.872 11.914 1.00 0.00 H new TER 1353 GLU A 130