USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 670 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 65 MET CE :methyl 162:sc= -0.228 (180deg=-0.844) USER MOD Set 1.2: A 89 SER OG : rot 119:sc= 1.4 USER MOD Set 1.3: A 93 HIS : no HE2:sc= -1.29 K(o=-0.11,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.113 (180deg=0) USER MOD Single : A 3 MET CE :methyl -155:sc= 0 (180deg=-0.257) USER MOD Single : A 11 SER OG : rot 180:sc= -0.301 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 20 SER OG : rot -160:sc=-0.00882 USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= 0.0022 (180deg=-0.131) USER MOD Single : A 23 LYS NZ :NH3+ 145:sc= 1.28 (180deg=1.02) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -114:sc= 0.0867 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 0.587 (180deg=0.258) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-3.1!) USER MOD Single : A 51 GLN : amide:sc= 0.236 X(o=0.24,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0215) USER MOD Single : A 61 SER OG : rot 110:sc= -0.0432 USER MOD Single : A 68 SER OG : rot 98:sc= 0.368 USER MOD Single : A 69 SER OG : rot 46:sc= 1.19 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0569 USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= -0.0267 (180deg=-0.247) USER MOD Single : A 91 THR OG1 : rot -163:sc= 0.379 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.295 -5.731 17.050 1.00 6.55 N ATOM 2 CA GLY A 1 6.241 -4.730 16.762 1.00 6.13 C ATOM 3 C GLY A 1 6.090 -4.486 15.280 1.00 5.56 C ATOM 4 O GLY A 1 6.875 -5.002 14.482 1.00 5.62 O ATOM 0 H1 GLY A 1 6.864 -6.575 17.478 1.00 6.55 H new ATOM 0 H2 GLY A 1 7.773 -5.997 16.165 1.00 6.55 H new ATOM 0 H3 GLY A 1 7.989 -5.325 17.709 1.00 6.55 H new ATOM 0 HA2 GLY A 1 5.291 -5.074 17.172 1.00 6.13 H new ATOM 0 HA3 GLY A 1 6.484 -3.792 17.262 1.00 6.13 H new ATOM 10 N ALA A 2 5.098 -3.689 14.902 1.00 5.41 N ATOM 11 CA ALA A 2 4.824 -3.427 13.496 1.00 5.31 C ATOM 12 C ALA A 2 5.830 -2.437 12.915 1.00 4.43 C ATOM 13 O ALA A 2 5.508 -1.275 12.668 1.00 4.77 O ATOM 14 CB ALA A 2 3.402 -2.914 13.320 1.00 6.37 C ATOM 0 H ALA A 2 4.470 -3.213 15.550 1.00 5.41 H new ATOM 0 HA ALA A 2 4.925 -4.365 12.950 1.00 5.31 H new ATOM 0 HB1 ALA A 2 3.212 -2.723 12.264 1.00 6.37 H new ATOM 0 HB2 ALA A 2 2.698 -3.661 13.686 1.00 6.37 H new ATOM 0 HB3 ALA A 2 3.276 -1.990 13.884 1.00 6.37 H new ATOM 20 N MET A 3 7.058 -2.894 12.729 1.00 3.71 N ATOM 21 CA MET A 3 8.092 -2.082 12.105 1.00 3.29 C ATOM 22 C MET A 3 9.133 -2.991 11.463 1.00 2.27 C ATOM 23 O MET A 3 10.275 -2.595 11.216 1.00 2.62 O ATOM 24 CB MET A 3 8.747 -1.160 13.140 1.00 3.97 C ATOM 25 CG MET A 3 9.559 -0.028 12.529 1.00 4.59 C ATOM 26 SD MET A 3 8.558 1.058 11.495 1.00 5.49 S ATOM 27 CE MET A 3 9.805 2.195 10.896 1.00 6.18 C ATOM 0 H MET A 3 7.365 -3.828 13.003 1.00 3.71 H new ATOM 0 HA MET A 3 7.640 -1.457 11.334 1.00 3.29 H new ATOM 0 HB2 MET A 3 7.971 -0.735 13.777 1.00 3.97 H new ATOM 0 HB3 MET A 3 9.396 -1.754 13.783 1.00 3.97 H new ATOM 0 HG2 MET A 3 10.019 0.556 13.326 1.00 4.59 H new ATOM 0 HG3 MET A 3 10.369 -0.447 11.933 1.00 4.59 H new ATOM 0 HE1 MET A 3 9.336 3.143 10.631 1.00 6.18 H new ATOM 0 HE2 MET A 3 10.549 2.363 11.675 1.00 6.18 H new ATOM 0 HE3 MET A 3 10.290 1.772 10.016 1.00 6.18 H new ATOM 37 N GLU A 4 8.724 -4.224 11.200 1.00 1.66 N ATOM 38 CA GLU A 4 9.612 -5.222 10.631 1.00 1.27 C ATOM 39 C GLU A 4 9.579 -5.154 9.112 1.00 1.17 C ATOM 40 O GLU A 4 8.515 -5.258 8.506 1.00 1.64 O ATOM 41 CB GLU A 4 9.203 -6.618 11.090 1.00 2.01 C ATOM 42 CG GLU A 4 9.174 -6.790 12.596 1.00 2.51 C ATOM 43 CD GLU A 4 8.665 -8.154 13.006 1.00 3.17 C ATOM 44 OE1 GLU A 4 7.471 -8.273 13.350 1.00 3.76 O ATOM 45 OE2 GLU A 4 9.456 -9.121 12.975 1.00 3.52 O ATOM 0 H GLU A 4 7.776 -4.557 11.374 1.00 1.66 H new ATOM 0 HA GLU A 4 10.626 -5.016 10.975 1.00 1.27 H new ATOM 0 HB2 GLU A 4 8.215 -6.846 10.690 1.00 2.01 H new ATOM 0 HB3 GLU A 4 9.894 -7.346 10.665 1.00 2.01 H new ATOM 0 HG2 GLU A 4 10.177 -6.643 12.996 1.00 2.51 H new ATOM 0 HG3 GLU A 4 8.540 -6.020 13.036 1.00 2.51 H new ATOM 52 N ARG A 5 10.740 -4.966 8.506 1.00 0.96 N ATOM 53 CA ARG A 5 10.843 -4.927 7.056 1.00 0.91 C ATOM 54 C ARG A 5 10.492 -6.278 6.444 1.00 0.81 C ATOM 55 O ARG A 5 11.058 -7.308 6.819 1.00 0.84 O ATOM 56 CB ARG A 5 12.257 -4.537 6.618 1.00 0.98 C ATOM 57 CG ARG A 5 12.475 -4.731 5.125 1.00 1.45 C ATOM 58 CD ARG A 5 13.928 -4.575 4.720 1.00 1.50 C ATOM 59 NE ARG A 5 14.219 -5.339 3.506 1.00 2.16 N ATOM 60 CZ ARG A 5 14.733 -4.827 2.390 1.00 2.56 C ATOM 61 NH1 ARG A 5 15.007 -3.530 2.304 1.00 2.34 N ATOM 62 NH2 ARG A 5 14.970 -5.625 1.355 1.00 3.55 N ATOM 0 H ARG A 5 11.625 -4.838 8.996 1.00 0.96 H new ATOM 0 HA ARG A 5 10.134 -4.177 6.704 1.00 0.91 H new ATOM 0 HB2 ARG A 5 12.440 -3.494 6.877 1.00 0.98 H new ATOM 0 HB3 ARG A 5 12.983 -5.134 7.169 1.00 0.98 H new ATOM 0 HG2 ARG A 5 12.126 -5.723 4.837 1.00 1.45 H new ATOM 0 HG3 ARG A 5 11.870 -4.009 4.577 1.00 1.45 H new ATOM 0 HD2 ARG A 5 14.152 -3.521 4.553 1.00 1.50 H new ATOM 0 HD3 ARG A 5 14.574 -4.913 5.530 1.00 1.50 H new ATOM 0 HE ARG A 5 14.013 -6.338 3.516 1.00 2.16 H new ATOM 0 HH11 ARG A 5 14.824 -2.916 3.098 1.00 2.34 H new ATOM 0 HH12 ARG A 5 15.401 -3.148 1.444 1.00 2.34 H new ATOM 0 HH21 ARG A 5 14.758 -6.621 1.420 1.00 3.55 H new ATOM 0 HH22 ARG A 5 15.364 -5.242 0.495 1.00 3.55 H new ATOM 76 N GLU A 6 9.564 -6.269 5.504 1.00 0.77 N ATOM 77 CA GLU A 6 9.258 -7.454 4.725 1.00 0.72 C ATOM 78 C GLU A 6 10.285 -7.585 3.604 1.00 0.62 C ATOM 79 O GLU A 6 10.893 -6.595 3.203 1.00 0.73 O ATOM 80 CB GLU A 6 7.843 -7.345 4.150 1.00 0.85 C ATOM 81 CG GLU A 6 7.371 -8.592 3.421 1.00 1.17 C ATOM 82 CD GLU A 6 7.408 -9.823 4.297 1.00 1.78 C ATOM 83 OE1 GLU A 6 6.518 -9.964 5.162 1.00 2.22 O ATOM 84 OE2 GLU A 6 8.328 -10.651 4.121 1.00 2.46 O ATOM 0 H GLU A 6 9.007 -5.450 5.261 1.00 0.77 H new ATOM 0 HA GLU A 6 9.302 -8.340 5.358 1.00 0.72 H new ATOM 0 HB2 GLU A 6 7.149 -7.127 4.961 1.00 0.85 H new ATOM 0 HB3 GLU A 6 7.806 -6.500 3.463 1.00 0.85 H new ATOM 0 HG2 GLU A 6 6.354 -8.436 3.062 1.00 1.17 H new ATOM 0 HG3 GLU A 6 7.997 -8.755 2.544 1.00 1.17 H new ATOM 91 N ASP A 7 10.494 -8.792 3.106 1.00 0.54 N ATOM 92 CA ASP A 7 11.430 -8.988 2.006 1.00 0.53 C ATOM 93 C ASP A 7 10.747 -9.651 0.823 1.00 0.46 C ATOM 94 O ASP A 7 11.299 -10.546 0.180 1.00 0.55 O ATOM 95 CB ASP A 7 12.660 -9.781 2.445 1.00 0.71 C ATOM 96 CG ASP A 7 13.832 -8.874 2.770 1.00 1.68 C ATOM 97 OD1 ASP A 7 14.153 -8.716 3.972 1.00 2.36 O ATOM 98 OD2 ASP A 7 14.443 -8.317 1.834 1.00 2.34 O ATOM 0 H ASP A 7 10.037 -9.641 3.438 1.00 0.54 H new ATOM 0 HA ASP A 7 11.774 -8.003 1.691 1.00 0.53 H new ATOM 0 HB2 ASP A 7 12.412 -10.381 3.321 1.00 0.71 H new ATOM 0 HB3 ASP A 7 12.946 -10.474 1.654 1.00 0.71 H new ATOM 103 N GLU A 8 9.538 -9.190 0.547 1.00 0.37 N ATOM 104 CA GLU A 8 8.776 -9.618 -0.612 1.00 0.34 C ATOM 105 C GLU A 8 7.774 -8.525 -0.972 1.00 0.28 C ATOM 106 O GLU A 8 7.169 -7.924 -0.085 1.00 0.29 O ATOM 107 CB GLU A 8 8.062 -10.934 -0.310 1.00 0.42 C ATOM 108 CG GLU A 8 7.361 -11.546 -1.510 1.00 0.46 C ATOM 109 CD GLU A 8 6.741 -12.887 -1.188 1.00 0.60 C ATOM 110 OE1 GLU A 8 7.460 -13.904 -1.214 1.00 0.71 O ATOM 111 OE2 GLU A 8 5.523 -12.931 -0.911 1.00 0.69 O ATOM 0 H GLU A 8 9.055 -8.503 1.126 1.00 0.37 H new ATOM 0 HA GLU A 8 9.443 -9.784 -1.458 1.00 0.34 H new ATOM 0 HB2 GLU A 8 8.788 -11.649 0.077 1.00 0.42 H new ATOM 0 HB3 GLU A 8 7.329 -10.765 0.479 1.00 0.42 H new ATOM 0 HG2 GLU A 8 6.586 -10.865 -1.862 1.00 0.46 H new ATOM 0 HG3 GLU A 8 8.076 -11.664 -2.324 1.00 0.46 H new ATOM 118 N CYS A 9 7.582 -8.276 -2.260 1.00 0.27 N ATOM 119 CA CYS A 9 6.761 -7.157 -2.693 1.00 0.25 C ATOM 120 C CYS A 9 5.292 -7.536 -2.676 1.00 0.32 C ATOM 121 O CYS A 9 4.881 -8.481 -3.339 1.00 0.38 O ATOM 122 CB CYS A 9 7.141 -6.738 -4.109 1.00 0.26 C ATOM 123 SG CYS A 9 6.135 -5.396 -4.776 1.00 0.30 S ATOM 0 H CYS A 9 7.981 -8.830 -3.018 1.00 0.27 H new ATOM 0 HA CYS A 9 6.932 -6.330 -2.005 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.187 -6.432 -4.117 1.00 0.26 H new ATOM 0 HB3 CYS A 9 7.056 -7.603 -4.767 1.00 0.26 H new ATOM 128 N PHE A 10 4.506 -6.782 -1.925 1.00 0.33 N ATOM 129 CA PHE A 10 3.075 -7.029 -1.828 1.00 0.41 C ATOM 130 C PHE A 10 2.374 -6.730 -3.156 1.00 0.48 C ATOM 131 O PHE A 10 1.308 -7.271 -3.441 1.00 0.57 O ATOM 132 CB PHE A 10 2.479 -6.186 -0.691 1.00 0.41 C ATOM 133 CG PHE A 10 0.983 -6.266 -0.585 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.190 -5.173 -0.899 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.368 -7.438 -0.172 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.184 -5.249 -0.801 1.00 0.56 C ATOM 137 CE2 PHE A 10 -1.004 -7.517 -0.073 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.782 -6.403 -0.396 1.00 0.59 C ATOM 0 H PHE A 10 4.835 -5.991 -1.372 1.00 0.33 H new ATOM 0 HA PHE A 10 2.916 -8.084 -1.604 1.00 0.41 H new ATOM 0 HB2 PHE A 10 2.917 -6.509 0.254 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.767 -5.145 -0.836 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.653 -4.253 -1.224 1.00 0.50 H new ATOM 0 HD2 PHE A 10 0.971 -8.299 0.075 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.788 -4.388 -1.047 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.474 -8.433 0.252 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.858 -6.457 -0.324 1.00 0.59 H new ATOM 148 N SER A 11 2.982 -5.880 -3.972 1.00 0.46 N ATOM 149 CA SER A 11 2.398 -5.505 -5.254 1.00 0.54 C ATOM 150 C SER A 11 2.587 -6.602 -6.300 1.00 0.57 C ATOM 151 O SER A 11 1.724 -6.815 -7.151 1.00 0.69 O ATOM 152 CB SER A 11 3.034 -4.213 -5.762 1.00 0.54 C ATOM 153 OG SER A 11 3.008 -3.208 -4.769 1.00 0.96 O ATOM 0 H SER A 11 3.878 -5.437 -3.770 1.00 0.46 H new ATOM 0 HA SER A 11 1.329 -5.358 -5.097 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.064 -4.405 -6.063 1.00 0.54 H new ATOM 0 HB3 SER A 11 2.503 -3.867 -6.648 1.00 0.54 H new ATOM 0 HG SER A 11 3.423 -2.392 -5.119 1.00 0.96 H new ATOM 159 N CYS A 12 3.714 -7.300 -6.231 1.00 0.48 N ATOM 160 CA CYS A 12 4.083 -8.234 -7.288 1.00 0.53 C ATOM 161 C CYS A 12 4.127 -9.682 -6.799 1.00 0.55 C ATOM 162 O CYS A 12 3.909 -10.613 -7.572 1.00 0.62 O ATOM 163 CB CYS A 12 5.445 -7.840 -7.863 1.00 0.51 C ATOM 164 SG CYS A 12 5.545 -6.114 -8.395 1.00 0.49 S ATOM 0 H CYS A 12 4.382 -7.239 -5.463 1.00 0.48 H new ATOM 0 HA CYS A 12 3.315 -8.178 -8.059 1.00 0.53 H new ATOM 0 HB2 CYS A 12 6.213 -8.023 -7.111 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.670 -8.485 -8.712 1.00 0.51 H new ATOM 169 N GLY A 13 4.402 -9.866 -5.514 1.00 0.51 N ATOM 170 CA GLY A 13 4.568 -11.201 -4.970 1.00 0.55 C ATOM 171 C GLY A 13 5.997 -11.689 -5.107 1.00 0.54 C ATOM 172 O GLY A 13 6.343 -12.773 -4.642 1.00 0.61 O ATOM 0 H GLY A 13 4.513 -9.112 -4.836 1.00 0.51 H new ATOM 0 HA2 GLY A 13 4.282 -11.203 -3.918 1.00 0.55 H new ATOM 0 HA3 GLY A 13 3.897 -11.889 -5.484 1.00 0.55 H new ATOM 176 N ASP A 14 6.827 -10.873 -5.744 1.00 0.49 N ATOM 177 CA ASP A 14 8.224 -11.218 -5.981 1.00 0.49 C ATOM 178 C ASP A 14 9.138 -10.411 -5.077 1.00 0.38 C ATOM 179 O ASP A 14 8.728 -9.391 -4.521 1.00 0.32 O ATOM 180 CB ASP A 14 8.598 -10.969 -7.446 1.00 0.55 C ATOM 181 CG ASP A 14 8.134 -12.080 -8.366 1.00 0.72 C ATOM 182 OD1 ASP A 14 6.946 -12.087 -8.753 1.00 0.81 O ATOM 183 OD2 ASP A 14 8.961 -12.949 -8.717 1.00 0.85 O ATOM 0 H ASP A 14 6.554 -9.960 -6.109 1.00 0.49 H new ATOM 0 HA ASP A 14 8.351 -12.277 -5.756 1.00 0.49 H new ATOM 0 HB2 ASP A 14 8.160 -10.026 -7.773 1.00 0.55 H new ATOM 0 HB3 ASP A 14 9.680 -10.864 -7.527 1.00 0.55 H new ATOM 188 N ALA A 15 10.370 -10.870 -4.927 1.00 0.41 N ATOM 189 CA ALA A 15 11.350 -10.178 -4.110 1.00 0.36 C ATOM 190 C ALA A 15 12.539 -9.743 -4.954 1.00 0.40 C ATOM 191 O ALA A 15 12.814 -10.327 -6.002 1.00 0.47 O ATOM 192 CB ALA A 15 11.803 -11.060 -2.965 1.00 0.42 C ATOM 0 H ALA A 15 10.715 -11.725 -5.364 1.00 0.41 H new ATOM 0 HA ALA A 15 10.882 -9.286 -3.693 1.00 0.36 H new ATOM 0 HB1 ALA A 15 12.538 -10.526 -2.363 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.945 -11.320 -2.345 1.00 0.42 H new ATOM 0 HB3 ALA A 15 12.253 -11.970 -3.362 1.00 0.42 H new ATOM 198 N GLY A 16 13.244 -8.726 -4.488 1.00 0.40 N ATOM 199 CA GLY A 16 14.350 -8.175 -5.242 1.00 0.48 C ATOM 200 C GLY A 16 14.740 -6.802 -4.741 1.00 0.49 C ATOM 201 O GLY A 16 15.062 -6.643 -3.561 1.00 1.04 O ATOM 0 H GLY A 16 13.069 -8.268 -3.593 1.00 0.40 H new ATOM 0 HA2 GLY A 16 15.207 -8.845 -5.173 1.00 0.48 H new ATOM 0 HA3 GLY A 16 14.078 -8.114 -6.296 1.00 0.48 H new ATOM 205 N GLN A 17 14.703 -5.806 -5.619 1.00 0.52 N ATOM 206 CA GLN A 17 15.014 -4.438 -5.225 1.00 0.49 C ATOM 207 C GLN A 17 13.826 -3.828 -4.495 1.00 0.39 C ATOM 208 O GLN A 17 13.011 -3.110 -5.080 1.00 0.41 O ATOM 209 CB GLN A 17 15.386 -3.577 -6.434 1.00 0.61 C ATOM 210 CG GLN A 17 15.825 -2.172 -6.050 1.00 0.67 C ATOM 211 CD GLN A 17 16.095 -1.284 -7.248 1.00 0.93 C ATOM 212 OE1 GLN A 17 15.486 -1.441 -8.307 1.00 1.56 O ATOM 213 NE2 GLN A 17 17.006 -0.338 -7.090 1.00 1.52 N ATOM 0 H GLN A 17 14.462 -5.920 -6.604 1.00 0.52 H new ATOM 0 HA GLN A 17 15.876 -4.466 -4.558 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.189 -4.064 -6.987 1.00 0.61 H new ATOM 0 HB3 GLN A 17 14.530 -3.513 -7.105 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.053 -1.713 -5.432 1.00 0.67 H new ATOM 0 HG3 GLN A 17 16.727 -2.234 -5.441 1.00 0.67 H new ATOM 0 HE21 GLN A 17 17.489 -0.239 -6.197 1.00 1.52 H new ATOM 0 HE22 GLN A 17 17.225 0.293 -7.861 1.00 1.52 H new ATOM 222 N LEU A 18 13.726 -4.137 -3.216 1.00 0.34 N ATOM 223 CA LEU A 18 12.613 -3.684 -2.408 1.00 0.27 C ATOM 224 C LEU A 18 13.003 -2.485 -1.563 1.00 0.31 C ATOM 225 O LEU A 18 14.051 -2.480 -0.913 1.00 0.42 O ATOM 226 CB LEU A 18 12.127 -4.816 -1.507 1.00 0.24 C ATOM 227 CG LEU A 18 11.675 -6.068 -2.249 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.631 -7.258 -1.315 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.316 -5.841 -2.878 1.00 0.17 C ATOM 0 H LEU A 18 14.408 -4.704 -2.713 1.00 0.34 H new ATOM 0 HA LEU A 18 11.808 -3.383 -3.078 1.00 0.27 H new ATOM 0 HB2 LEU A 18 12.929 -5.086 -0.820 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.298 -4.450 -0.901 1.00 0.24 H new ATOM 0 HG LEU A 18 12.396 -6.280 -3.038 1.00 0.21 H new ATOM 0 HD11 LEU A 18 11.306 -8.141 -1.866 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.624 -7.433 -0.902 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.931 -7.058 -0.504 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.004 -6.743 -3.405 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.590 -5.606 -2.100 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.375 -5.011 -3.582 1.00 0.17 H new ATOM 241 N VAL A 19 12.154 -1.479 -1.577 1.00 0.29 N ATOM 242 CA VAL A 19 12.332 -0.312 -0.743 1.00 0.32 C ATOM 243 C VAL A 19 11.342 -0.379 0.414 1.00 0.30 C ATOM 244 O VAL A 19 10.144 -0.594 0.210 1.00 0.27 O ATOM 245 CB VAL A 19 12.165 1.002 -1.550 1.00 0.36 C ATOM 246 CG1 VAL A 19 10.854 1.024 -2.328 1.00 0.34 C ATOM 247 CG2 VAL A 19 12.269 2.213 -0.637 1.00 0.42 C ATOM 0 H VAL A 19 11.322 -1.448 -2.167 1.00 0.29 H new ATOM 0 HA VAL A 19 13.349 -0.307 -0.352 1.00 0.32 H new ATOM 0 HB VAL A 19 12.977 1.045 -2.275 1.00 0.36 H new ATOM 0 HG11 VAL A 19 10.774 1.960 -2.880 1.00 0.34 H new ATOM 0 HG12 VAL A 19 10.831 0.188 -3.027 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.018 0.940 -1.634 1.00 0.34 H new ATOM 0 HG21 VAL A 19 12.149 3.123 -1.225 1.00 0.42 H new ATOM 0 HG22 VAL A 19 11.488 2.165 0.121 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.245 2.220 -0.152 1.00 0.42 H new ATOM 257 N SER A 20 11.849 -0.234 1.626 1.00 0.34 N ATOM 258 CA SER A 20 11.041 -0.446 2.814 1.00 0.33 C ATOM 259 C SER A 20 10.589 0.875 3.421 1.00 0.33 C ATOM 260 O SER A 20 11.252 1.907 3.281 1.00 0.35 O ATOM 261 CB SER A 20 11.830 -1.271 3.833 1.00 0.39 C ATOM 262 OG SER A 20 11.024 -1.640 4.940 1.00 0.47 O ATOM 0 H SER A 20 12.816 0.030 1.813 1.00 0.34 H new ATOM 0 HA SER A 20 10.144 -0.995 2.529 1.00 0.33 H new ATOM 0 HB2 SER A 20 12.221 -2.167 3.352 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.688 -0.696 4.182 1.00 0.39 H new ATOM 0 HG SER A 20 11.598 -1.876 5.699 1.00 0.47 H new ATOM 268 N CYS A 21 9.453 0.820 4.100 1.00 0.33 N ATOM 269 CA CYS A 21 8.824 2.001 4.664 1.00 0.35 C ATOM 270 C CYS A 21 9.508 2.394 5.972 1.00 0.40 C ATOM 271 O CYS A 21 9.930 1.531 6.744 1.00 0.43 O ATOM 272 CB CYS A 21 7.343 1.711 4.910 1.00 0.37 C ATOM 273 SG CYS A 21 6.274 3.167 4.920 1.00 0.34 S ATOM 0 H CYS A 21 8.943 -0.046 4.275 1.00 0.33 H new ATOM 0 HA CYS A 21 8.922 2.831 3.964 1.00 0.35 H new ATOM 0 HB2 CYS A 21 6.990 1.024 4.141 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.242 1.198 5.866 1.00 0.37 H new ATOM 278 N LYS A 22 9.619 3.692 6.220 1.00 0.52 N ATOM 279 CA LYS A 22 10.233 4.186 7.445 1.00 0.61 C ATOM 280 C LYS A 22 9.180 4.844 8.331 1.00 0.63 C ATOM 281 O LYS A 22 9.466 5.786 9.070 1.00 0.78 O ATOM 282 CB LYS A 22 11.345 5.183 7.117 1.00 0.74 C ATOM 283 CG LYS A 22 12.453 4.600 6.253 1.00 1.35 C ATOM 284 CD LYS A 22 13.314 3.608 7.020 1.00 1.65 C ATOM 285 CE LYS A 22 14.345 2.948 6.114 1.00 2.25 C ATOM 286 NZ LYS A 22 15.184 3.945 5.396 1.00 2.79 N ATOM 0 H LYS A 22 9.291 4.423 5.588 1.00 0.52 H new ATOM 0 HA LYS A 22 10.668 3.344 7.982 1.00 0.61 H new ATOM 0 HB2 LYS A 22 10.911 6.042 6.605 1.00 0.74 H new ATOM 0 HB3 LYS A 22 11.777 5.551 8.048 1.00 0.74 H new ATOM 0 HG2 LYS A 22 12.014 4.105 5.387 1.00 1.35 H new ATOM 0 HG3 LYS A 22 13.080 5.407 5.875 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.821 4.120 7.837 1.00 1.65 H new ATOM 0 HD3 LYS A 22 12.679 2.844 7.468 1.00 1.65 H new ATOM 0 HE2 LYS A 22 14.986 2.298 6.710 1.00 2.25 H new ATOM 0 HE3 LYS A 22 13.835 2.315 5.388 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 16.170 3.614 5.369 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 14.831 4.061 4.425 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 15.139 4.858 5.892 1.00 2.79 H new ATOM 300 N LYS A 23 7.958 4.342 8.239 1.00 0.60 N ATOM 301 CA LYS A 23 6.851 4.866 9.019 1.00 0.66 C ATOM 302 C LYS A 23 6.329 3.780 9.957 1.00 0.65 C ATOM 303 O LYS A 23 6.091 2.652 9.524 1.00 0.61 O ATOM 304 CB LYS A 23 5.738 5.349 8.082 1.00 0.75 C ATOM 305 CG LYS A 23 4.658 6.169 8.775 1.00 1.23 C ATOM 306 CD LYS A 23 3.659 6.733 7.778 1.00 1.50 C ATOM 307 CE LYS A 23 2.685 7.693 8.438 1.00 1.95 C ATOM 308 NZ LYS A 23 3.361 8.933 8.897 1.00 2.27 N ATOM 0 H LYS A 23 7.708 3.566 7.626 1.00 0.60 H new ATOM 0 HA LYS A 23 7.192 5.712 9.616 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.181 5.949 7.287 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.275 4.484 7.608 1.00 0.75 H new ATOM 0 HG2 LYS A 23 4.136 5.545 9.501 1.00 1.23 H new ATOM 0 HG3 LYS A 23 5.120 6.986 9.330 1.00 1.23 H new ATOM 0 HD2 LYS A 23 4.193 7.249 6.980 1.00 1.50 H new ATOM 0 HD3 LYS A 23 3.106 5.915 7.315 1.00 1.50 H new ATOM 0 HE2 LYS A 23 1.893 7.949 7.734 1.00 1.95 H new ATOM 0 HE3 LYS A 23 2.209 7.202 9.287 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 2.717 9.742 8.783 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 3.621 8.836 9.899 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 4.219 9.091 8.331 1.00 2.27 H new ATOM 322 N PRO A 24 6.154 4.102 11.250 1.00 0.77 N ATOM 323 CA PRO A 24 5.734 3.122 12.257 1.00 0.83 C ATOM 324 C PRO A 24 4.363 2.519 11.953 1.00 0.80 C ATOM 325 O PRO A 24 3.414 3.235 11.622 1.00 0.86 O ATOM 326 CB PRO A 24 5.687 3.931 13.560 1.00 1.01 C ATOM 327 CG PRO A 24 5.586 5.351 13.129 1.00 1.18 C ATOM 328 CD PRO A 24 6.344 5.440 11.833 1.00 0.93 C ATOM 0 HA PRO A 24 6.415 2.272 12.296 1.00 0.83 H new ATOM 0 HB2 PRO A 24 4.833 3.643 14.173 1.00 1.01 H new ATOM 0 HB3 PRO A 24 6.581 3.764 14.161 1.00 1.01 H new ATOM 0 HG2 PRO A 24 4.545 5.646 12.994 1.00 1.18 H new ATOM 0 HG3 PRO A 24 6.012 6.018 13.878 1.00 1.18 H new ATOM 0 HD2 PRO A 24 5.948 6.223 11.186 1.00 0.93 H new ATOM 0 HD3 PRO A 24 7.398 5.664 11.996 1.00 0.93 H new ATOM 336 N GLY A 25 4.268 1.201 12.070 1.00 0.76 N ATOM 337 CA GLY A 25 3.020 0.518 11.804 1.00 0.75 C ATOM 338 C GLY A 25 2.974 -0.063 10.407 1.00 0.65 C ATOM 339 O GLY A 25 1.905 -0.424 9.909 1.00 0.83 O ATOM 0 H GLY A 25 5.038 0.591 12.346 1.00 0.76 H new ATOM 0 HA2 GLY A 25 2.882 -0.281 12.533 1.00 0.75 H new ATOM 0 HA3 GLY A 25 2.192 1.214 11.934 1.00 0.75 H new ATOM 343 N CYS A 26 4.131 -0.151 9.768 1.00 0.48 N ATOM 344 CA CYS A 26 4.209 -0.639 8.406 1.00 0.39 C ATOM 345 C CYS A 26 5.276 -1.722 8.276 1.00 0.34 C ATOM 346 O CYS A 26 6.470 -1.429 8.280 1.00 0.40 O ATOM 347 CB CYS A 26 4.550 0.526 7.489 1.00 0.44 C ATOM 348 SG CYS A 26 4.013 0.344 5.776 1.00 0.35 S ATOM 0 H CYS A 26 5.029 0.111 10.175 1.00 0.48 H new ATOM 0 HA CYS A 26 3.249 -1.073 8.128 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.102 1.432 7.898 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.630 0.671 7.500 1.00 0.44 H new ATOM 353 N PRO A 27 4.857 -2.988 8.172 1.00 0.37 N ATOM 354 CA PRO A 27 5.752 -4.107 7.929 1.00 0.45 C ATOM 355 C PRO A 27 5.750 -4.528 6.458 1.00 0.45 C ATOM 356 O PRO A 27 6.005 -5.688 6.130 1.00 0.66 O ATOM 357 CB PRO A 27 5.109 -5.185 8.798 1.00 0.57 C ATOM 358 CG PRO A 27 3.638 -4.923 8.688 1.00 0.57 C ATOM 359 CD PRO A 27 3.474 -3.456 8.336 1.00 0.44 C ATOM 0 HA PRO A 27 6.797 -3.894 8.155 1.00 0.45 H new ATOM 0 HB2 PRO A 27 5.362 -6.184 8.444 1.00 0.57 H new ATOM 0 HB3 PRO A 27 5.449 -5.117 9.832 1.00 0.57 H new ATOM 0 HG2 PRO A 27 3.190 -5.556 7.922 1.00 0.57 H new ATOM 0 HG3 PRO A 27 3.134 -5.153 9.627 1.00 0.57 H new ATOM 0 HD2 PRO A 27 2.894 -3.324 7.422 1.00 0.44 H new ATOM 0 HD3 PRO A 27 2.956 -2.909 9.124 1.00 0.44 H new ATOM 367 N LYS A 28 5.458 -3.575 5.581 1.00 0.30 N ATOM 368 CA LYS A 28 5.298 -3.859 4.159 1.00 0.30 C ATOM 369 C LYS A 28 6.492 -3.339 3.360 1.00 0.27 C ATOM 370 O LYS A 28 7.183 -2.412 3.794 1.00 0.31 O ATOM 371 CB LYS A 28 4.003 -3.218 3.646 1.00 0.32 C ATOM 372 CG LYS A 28 3.071 -4.187 2.926 1.00 0.42 C ATOM 373 CD LYS A 28 2.647 -5.338 3.827 1.00 0.52 C ATOM 374 CE LYS A 28 1.570 -6.186 3.171 1.00 0.70 C ATOM 375 NZ LYS A 28 1.285 -7.427 3.940 1.00 1.00 N ATOM 0 H LYS A 28 5.327 -2.595 5.831 1.00 0.30 H new ATOM 0 HA LYS A 28 5.245 -4.940 4.026 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.470 -2.777 4.488 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.257 -2.404 2.968 1.00 0.32 H new ATOM 0 HG2 LYS A 28 2.187 -3.652 2.580 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.571 -4.583 2.042 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.512 -5.960 4.057 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.276 -4.944 4.773 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.655 -5.600 3.078 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.883 -6.450 2.161 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.545 -7.973 3.455 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 2.150 -8.000 4.007 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.960 -7.176 4.896 1.00 1.00 H new ATOM 389 N VAL A 29 6.728 -3.934 2.194 1.00 0.23 N ATOM 390 CA VAL A 29 7.827 -3.525 1.330 1.00 0.20 C ATOM 391 C VAL A 29 7.400 -3.637 -0.139 1.00 0.18 C ATOM 392 O VAL A 29 6.517 -4.434 -0.477 1.00 0.21 O ATOM 393 CB VAL A 29 9.084 -4.385 1.590 1.00 0.22 C ATOM 394 CG1 VAL A 29 9.011 -5.711 0.865 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.349 -3.641 1.222 1.00 0.44 C ATOM 0 H VAL A 29 6.169 -4.704 1.826 1.00 0.23 H new ATOM 0 HA VAL A 29 8.077 -2.488 1.554 1.00 0.20 H new ATOM 0 HB VAL A 29 9.115 -4.592 2.660 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.912 -6.289 1.071 1.00 0.31 H new ATOM 0 HG12 VAL A 29 8.138 -6.266 1.208 1.00 0.31 H new ATOM 0 HG13 VAL A 29 8.931 -5.535 -0.208 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.214 -4.275 1.417 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.323 -3.379 0.164 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.423 -2.732 1.819 1.00 0.44 H new ATOM 405 N TYR A 30 8.018 -2.842 -1.005 1.00 0.19 N ATOM 406 CA TYR A 30 7.623 -2.780 -2.412 1.00 0.20 C ATOM 407 C TYR A 30 8.836 -2.517 -3.293 1.00 0.20 C ATOM 408 O TYR A 30 9.901 -2.169 -2.799 1.00 0.21 O ATOM 409 CB TYR A 30 6.614 -1.649 -2.643 1.00 0.29 C ATOM 410 CG TYR A 30 5.373 -1.704 -1.781 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.341 -2.584 -2.073 1.00 0.44 C ATOM 412 CD2 TYR A 30 5.224 -0.860 -0.686 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.200 -2.626 -1.298 1.00 0.55 C ATOM 414 CE2 TYR A 30 4.086 -0.899 0.096 1.00 0.57 C ATOM 415 CZ TYR A 30 3.078 -1.784 -0.217 1.00 0.60 C ATOM 416 OH TYR A 30 1.941 -1.829 0.556 1.00 0.72 O ATOM 0 H TYR A 30 8.796 -2.230 -0.759 1.00 0.19 H new ATOM 0 HA TYR A 30 7.172 -3.738 -2.669 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.115 -0.697 -2.470 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.310 -1.664 -3.690 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.432 -3.247 -2.921 1.00 0.44 H new ATOM 0 HD2 TYR A 30 6.011 -0.162 -0.443 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.406 -3.317 -1.539 1.00 0.55 H new ATOM 0 HE2 TYR A 30 3.987 -0.241 0.946 1.00 0.57 H new ATOM 0 HH TYR A 30 1.451 -0.985 0.466 1.00 0.72 H new ATOM 426 N HIS A 31 8.670 -2.687 -4.598 1.00 0.23 N ATOM 427 CA HIS A 31 9.701 -2.289 -5.554 1.00 0.26 C ATOM 428 C HIS A 31 9.484 -0.836 -5.927 1.00 0.32 C ATOM 429 O HIS A 31 8.347 -0.381 -6.039 1.00 0.35 O ATOM 430 CB HIS A 31 9.653 -3.121 -6.844 1.00 0.28 C ATOM 431 CG HIS A 31 9.757 -4.595 -6.653 1.00 0.26 C ATOM 432 ND1 HIS A 31 8.763 -5.441 -7.073 1.00 0.30 N ATOM 433 CD2 HIS A 31 10.760 -5.321 -6.118 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.175 -6.661 -6.782 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.389 -6.643 -6.203 1.00 0.28 N ATOM 0 H HIS A 31 7.836 -3.096 -5.020 1.00 0.23 H new ATOM 0 HA HIS A 31 10.669 -2.448 -5.079 1.00 0.26 H new ATOM 0 HB2 HIS A 31 8.720 -2.903 -7.363 1.00 0.28 H new ATOM 0 HB3 HIS A 31 10.464 -2.797 -7.496 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.680 -4.937 -5.702 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.610 -7.559 -6.983 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.928 -7.450 -5.889 1.00 0.28 H new ATOM 443 N ALA A 32 10.569 -0.117 -6.129 1.00 0.38 N ATOM 444 CA ALA A 32 10.487 1.264 -6.566 1.00 0.45 C ATOM 445 C ALA A 32 9.894 1.340 -7.971 1.00 0.48 C ATOM 446 O ALA A 32 9.206 2.301 -8.319 1.00 0.55 O ATOM 447 CB ALA A 32 11.859 1.911 -6.517 1.00 0.53 C ATOM 0 H ALA A 32 11.519 -0.465 -5.998 1.00 0.38 H new ATOM 0 HA ALA A 32 9.829 1.811 -5.891 1.00 0.45 H new ATOM 0 HB1 ALA A 32 11.785 2.947 -6.847 1.00 0.53 H new ATOM 0 HB2 ALA A 32 12.239 1.882 -5.496 1.00 0.53 H new ATOM 0 HB3 ALA A 32 12.540 1.369 -7.173 1.00 0.53 H new ATOM 453 N ASP A 33 10.160 0.307 -8.765 1.00 0.48 N ATOM 454 CA ASP A 33 9.686 0.239 -10.145 1.00 0.55 C ATOM 455 C ASP A 33 8.163 0.138 -10.219 1.00 0.54 C ATOM 456 O ASP A 33 7.526 0.872 -10.973 1.00 0.62 O ATOM 457 CB ASP A 33 10.322 -0.952 -10.874 1.00 0.60 C ATOM 458 CG ASP A 33 9.871 -1.057 -12.318 1.00 1.35 C ATOM 459 OD1 ASP A 33 8.912 -1.805 -12.595 1.00 1.90 O ATOM 460 OD2 ASP A 33 10.483 -0.399 -13.189 1.00 2.01 O ATOM 0 H ASP A 33 10.707 -0.503 -8.473 1.00 0.48 H new ATOM 0 HA ASP A 33 9.986 1.165 -10.635 1.00 0.55 H new ATOM 0 HB2 ASP A 33 11.407 -0.856 -10.842 1.00 0.60 H new ATOM 0 HB3 ASP A 33 10.068 -1.873 -10.349 1.00 0.60 H new ATOM 465 N CYS A 34 7.578 -0.753 -9.422 1.00 0.48 N ATOM 466 CA CYS A 34 6.140 -1.006 -9.492 1.00 0.52 C ATOM 467 C CYS A 34 5.354 0.109 -8.808 1.00 0.56 C ATOM 468 O CYS A 34 4.143 0.238 -8.995 1.00 0.67 O ATOM 469 CB CYS A 34 5.803 -2.371 -8.874 1.00 0.50 C ATOM 470 SG CYS A 34 6.567 -2.664 -7.264 1.00 0.44 S ATOM 0 H CYS A 34 8.073 -1.309 -8.725 1.00 0.48 H new ATOM 0 HA CYS A 34 5.849 -1.023 -10.542 1.00 0.52 H new ATOM 0 HB2 CYS A 34 4.721 -2.453 -8.770 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.118 -3.156 -9.561 1.00 0.50 H new ATOM 475 N LEU A 35 6.052 0.909 -8.012 1.00 0.52 N ATOM 476 CA LEU A 35 5.456 2.082 -7.388 1.00 0.58 C ATOM 477 C LEU A 35 5.587 3.300 -8.295 1.00 0.67 C ATOM 478 O LEU A 35 5.075 4.376 -7.985 1.00 0.74 O ATOM 479 CB LEU A 35 6.134 2.375 -6.054 1.00 0.55 C ATOM 480 CG LEU A 35 5.940 1.328 -4.963 1.00 0.49 C ATOM 481 CD1 LEU A 35 6.860 1.635 -3.799 1.00 0.48 C ATOM 482 CD2 LEU A 35 4.495 1.291 -4.492 1.00 0.54 C ATOM 0 H LEU A 35 7.036 0.765 -7.783 1.00 0.52 H new ATOM 0 HA LEU A 35 4.399 1.873 -7.221 1.00 0.58 H new ATOM 0 HB2 LEU A 35 7.203 2.494 -6.230 1.00 0.55 H new ATOM 0 HB3 LEU A 35 5.764 3.331 -5.683 1.00 0.55 H new ATOM 0 HG LEU A 35 6.185 0.348 -5.373 1.00 0.49 H new ATOM 0 HD11 LEU A 35 6.722 0.887 -3.019 1.00 0.48 H new ATOM 0 HD12 LEU A 35 7.895 1.617 -4.139 1.00 0.48 H new ATOM 0 HD13 LEU A 35 6.626 2.622 -3.401 1.00 0.48 H new ATOM 0 HD21 LEU A 35 4.385 0.536 -3.714 1.00 0.54 H new ATOM 0 HD22 LEU A 35 4.217 2.266 -4.093 1.00 0.54 H new ATOM 0 HD23 LEU A 35 3.845 1.044 -5.331 1.00 0.54 H new ATOM 494 N ASN A 36 6.297 3.112 -9.409 1.00 0.68 N ATOM 495 CA ASN A 36 6.534 4.170 -10.389 1.00 0.77 C ATOM 496 C ASN A 36 7.352 5.306 -9.785 1.00 0.78 C ATOM 497 O ASN A 36 7.189 6.470 -10.158 1.00 0.87 O ATOM 498 CB ASN A 36 5.215 4.709 -10.953 1.00 0.86 C ATOM 499 CG ASN A 36 4.426 3.661 -11.714 1.00 1.46 C ATOM 500 OD1 ASN A 36 4.991 2.724 -12.277 1.00 2.09 O ATOM 501 ND2 ASN A 36 3.113 3.810 -11.737 1.00 2.13 N ATOM 0 H ASN A 36 6.724 2.219 -9.656 1.00 0.68 H new ATOM 0 HA ASN A 36 7.104 3.733 -11.208 1.00 0.77 H new ATOM 0 HB2 ASN A 36 4.605 5.092 -10.135 1.00 0.86 H new ATOM 0 HB3 ASN A 36 5.425 5.550 -11.614 1.00 0.86 H new ATOM 0 HD21 ASN A 36 2.532 3.135 -12.234 1.00 2.13 H new ATOM 0 HD22 ASN A 36 2.681 4.600 -11.258 1.00 2.13 H new ATOM 508 N LEU A 37 8.241 4.961 -8.862 1.00 0.71 N ATOM 509 CA LEU A 37 9.082 5.950 -8.206 1.00 0.75 C ATOM 510 C LEU A 37 10.190 6.411 -9.143 1.00 0.83 C ATOM 511 O LEU A 37 11.198 5.723 -9.316 1.00 0.88 O ATOM 512 CB LEU A 37 9.689 5.384 -6.919 1.00 0.69 C ATOM 513 CG LEU A 37 8.686 5.047 -5.812 1.00 0.69 C ATOM 514 CD1 LEU A 37 9.405 4.559 -4.563 1.00 0.69 C ATOM 515 CD2 LEU A 37 7.822 6.253 -5.482 1.00 0.78 C ATOM 0 H LEU A 37 8.397 4.002 -8.552 1.00 0.71 H new ATOM 0 HA LEU A 37 8.457 6.805 -7.947 1.00 0.75 H new ATOM 0 HB2 LEU A 37 10.247 4.481 -7.167 1.00 0.69 H new ATOM 0 HB3 LEU A 37 10.407 6.105 -6.528 1.00 0.69 H new ATOM 0 HG LEU A 37 8.041 4.247 -6.176 1.00 0.69 H new ATOM 0 HD11 LEU A 37 8.673 4.325 -3.790 1.00 0.69 H new ATOM 0 HD12 LEU A 37 9.980 3.664 -4.801 1.00 0.69 H new ATOM 0 HD13 LEU A 37 10.078 5.337 -4.203 1.00 0.69 H new ATOM 0 HD21 LEU A 37 7.117 5.991 -4.693 1.00 0.78 H new ATOM 0 HD22 LEU A 37 8.456 7.073 -5.144 1.00 0.78 H new ATOM 0 HD23 LEU A 37 7.273 6.562 -6.372 1.00 0.78 H new ATOM 527 N THR A 38 9.987 7.564 -9.764 1.00 0.91 N ATOM 528 CA THR A 38 10.974 8.136 -10.659 1.00 1.03 C ATOM 529 C THR A 38 12.227 8.542 -9.887 1.00 1.04 C ATOM 530 O THR A 38 13.350 8.417 -10.382 1.00 1.14 O ATOM 531 CB THR A 38 10.388 9.360 -11.376 1.00 1.16 C ATOM 532 OG1 THR A 38 9.041 9.079 -11.776 1.00 1.43 O ATOM 533 CG2 THR A 38 11.214 9.725 -12.596 1.00 1.59 C ATOM 0 H THR A 38 9.140 8.123 -9.661 1.00 0.91 H new ATOM 0 HA THR A 38 11.246 7.382 -11.398 1.00 1.03 H new ATOM 0 HB THR A 38 10.404 10.204 -10.686 1.00 1.16 H new ATOM 0 HG1 THR A 38 8.665 9.861 -12.232 1.00 1.43 H new ATOM 0 HG21 THR A 38 10.776 10.595 -13.085 1.00 1.59 H new ATOM 0 HG22 THR A 38 12.234 9.956 -12.289 1.00 1.59 H new ATOM 0 HG23 THR A 38 11.226 8.886 -13.292 1.00 1.59 H new ATOM 541 N LYS A 39 12.025 9.026 -8.671 1.00 0.99 N ATOM 542 CA LYS A 39 13.123 9.372 -7.793 1.00 1.02 C ATOM 543 C LYS A 39 13.257 8.331 -6.692 1.00 0.94 C ATOM 544 O LYS A 39 12.258 7.864 -6.144 1.00 0.96 O ATOM 545 CB LYS A 39 12.901 10.752 -7.175 1.00 1.12 C ATOM 546 CG LYS A 39 13.950 11.119 -6.141 1.00 1.57 C ATOM 547 CD LYS A 39 13.586 12.383 -5.387 1.00 1.98 C ATOM 548 CE LYS A 39 14.521 12.614 -4.212 1.00 2.58 C ATOM 549 NZ LYS A 39 14.523 11.464 -3.268 1.00 3.17 N ATOM 0 H LYS A 39 11.101 9.188 -8.271 1.00 0.99 H new ATOM 0 HA LYS A 39 14.041 9.395 -8.380 1.00 1.02 H new ATOM 0 HB2 LYS A 39 12.902 11.502 -7.966 1.00 1.12 H new ATOM 0 HB3 LYS A 39 11.916 10.781 -6.710 1.00 1.12 H new ATOM 0 HG2 LYS A 39 14.067 10.297 -5.435 1.00 1.57 H new ATOM 0 HG3 LYS A 39 14.913 11.255 -6.634 1.00 1.57 H new ATOM 0 HD2 LYS A 39 13.630 13.237 -6.063 1.00 1.98 H new ATOM 0 HD3 LYS A 39 12.559 12.312 -5.029 1.00 1.98 H new ATOM 0 HE2 LYS A 39 15.533 12.782 -4.581 1.00 2.58 H new ATOM 0 HE3 LYS A 39 14.221 13.518 -3.682 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 15.021 11.732 -2.395 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 13.543 11.200 -3.040 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 15.006 10.655 -3.708 1.00 3.17 H new ATOM 563 N ARG A 40 14.490 7.965 -6.377 1.00 0.97 N ATOM 564 CA ARG A 40 14.748 7.029 -5.300 1.00 0.95 C ATOM 565 C ARG A 40 14.604 7.730 -3.955 1.00 0.91 C ATOM 566 O ARG A 40 15.212 8.775 -3.722 1.00 1.01 O ATOM 567 CB ARG A 40 16.144 6.423 -5.431 1.00 1.10 C ATOM 568 CG ARG A 40 16.318 5.572 -6.674 1.00 1.80 C ATOM 569 CD ARG A 40 17.702 4.950 -6.733 1.00 1.93 C ATOM 570 NE ARG A 40 17.867 4.101 -7.913 1.00 2.49 N ATOM 571 CZ ARG A 40 18.751 3.111 -8.001 1.00 2.88 C ATOM 572 NH1 ARG A 40 19.536 2.822 -6.969 1.00 2.66 N ATOM 573 NH2 ARG A 40 18.845 2.405 -9.121 1.00 3.84 N ATOM 0 H ARG A 40 15.326 8.303 -6.853 1.00 0.97 H new ATOM 0 HA ARG A 40 14.018 6.222 -5.362 1.00 0.95 H new ATOM 0 HB2 ARG A 40 16.881 7.226 -5.444 1.00 1.10 H new ATOM 0 HB3 ARG A 40 16.352 5.814 -4.551 1.00 1.10 H new ATOM 0 HG2 ARG A 40 15.564 4.785 -6.686 1.00 1.80 H new ATOM 0 HG3 ARG A 40 16.155 6.184 -7.561 1.00 1.80 H new ATOM 0 HD2 ARG A 40 18.455 5.738 -6.745 1.00 1.93 H new ATOM 0 HD3 ARG A 40 17.873 4.359 -5.833 1.00 1.93 H new ATOM 0 HE ARG A 40 17.267 4.279 -8.718 1.00 2.49 H new ATOM 0 HH11 ARG A 40 19.462 3.360 -6.106 1.00 2.66 H new ATOM 0 HH12 ARG A 40 20.213 2.062 -7.040 1.00 2.66 H new ATOM 0 HH21 ARG A 40 18.240 2.622 -9.913 1.00 3.84 H new ATOM 0 HH22 ARG A 40 19.522 1.646 -9.190 1.00 3.84 H new ATOM 587 N PRO A 41 13.772 7.180 -3.065 1.00 0.85 N ATOM 588 CA PRO A 41 13.553 7.755 -1.740 1.00 0.87 C ATOM 589 C PRO A 41 14.733 7.514 -0.805 1.00 0.96 C ATOM 590 O PRO A 41 15.300 6.418 -0.767 1.00 1.05 O ATOM 591 CB PRO A 41 12.312 7.021 -1.242 1.00 0.88 C ATOM 592 CG PRO A 41 12.345 5.706 -1.935 1.00 0.96 C ATOM 593 CD PRO A 41 12.970 5.963 -3.283 1.00 0.86 C ATOM 0 HA PRO A 41 13.437 8.838 -1.774 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.333 6.898 -0.159 1.00 0.88 H new ATOM 0 HB3 PRO A 41 11.403 7.572 -1.483 1.00 0.88 H new ATOM 0 HG2 PRO A 41 12.927 4.980 -1.367 1.00 0.96 H new ATOM 0 HG3 PRO A 41 11.341 5.296 -2.042 1.00 0.96 H new ATOM 0 HD2 PRO A 41 13.590 5.126 -3.604 1.00 0.86 H new ATOM 0 HD3 PRO A 41 12.214 6.113 -4.054 1.00 0.86 H new ATOM 601 N ALA A 42 15.107 8.542 -0.060 1.00 1.05 N ATOM 602 CA ALA A 42 16.233 8.455 0.852 1.00 1.18 C ATOM 603 C ALA A 42 15.821 8.900 2.251 1.00 1.15 C ATOM 604 O ALA A 42 15.054 9.851 2.402 1.00 1.21 O ATOM 605 CB ALA A 42 17.379 9.309 0.337 1.00 1.41 C ATOM 0 H ALA A 42 14.643 9.450 -0.070 1.00 1.05 H new ATOM 0 HA ALA A 42 16.564 7.418 0.908 1.00 1.18 H new ATOM 0 HB1 ALA A 42 18.222 9.240 1.025 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.684 8.953 -0.647 1.00 1.41 H new ATOM 0 HB3 ALA A 42 17.055 10.347 0.263 1.00 1.41 H new ATOM 611 N GLY A 43 16.314 8.205 3.267 1.00 1.17 N ATOM 612 CA GLY A 43 15.989 8.566 4.633 1.00 1.18 C ATOM 613 C GLY A 43 14.647 8.018 5.058 1.00 1.04 C ATOM 614 O GLY A 43 14.392 6.817 4.936 1.00 1.12 O ATOM 0 H GLY A 43 16.932 7.399 3.170 1.00 1.17 H new ATOM 0 HA2 GLY A 43 16.763 8.189 5.302 1.00 1.18 H new ATOM 0 HA3 GLY A 43 15.985 9.652 4.730 1.00 1.18 H new ATOM 618 N LYS A 44 13.781 8.894 5.547 1.00 1.00 N ATOM 619 CA LYS A 44 12.447 8.491 5.956 1.00 0.92 C ATOM 620 C LYS A 44 11.508 8.507 4.759 1.00 0.80 C ATOM 621 O LYS A 44 11.164 9.569 4.237 1.00 0.84 O ATOM 622 CB LYS A 44 11.906 9.413 7.057 1.00 1.04 C ATOM 623 CG LYS A 44 10.526 9.012 7.562 1.00 1.53 C ATOM 624 CD LYS A 44 9.988 9.984 8.601 1.00 1.94 C ATOM 625 CE LYS A 44 10.804 9.964 9.885 1.00 2.69 C ATOM 626 NZ LYS A 44 10.219 10.854 10.923 1.00 3.46 N ATOM 0 H LYS A 44 13.980 9.887 5.669 1.00 1.00 H new ATOM 0 HA LYS A 44 12.505 7.479 6.356 1.00 0.92 H new ATOM 0 HB2 LYS A 44 12.604 9.415 7.894 1.00 1.04 H new ATOM 0 HB3 LYS A 44 11.862 10.433 6.676 1.00 1.04 H new ATOM 0 HG2 LYS A 44 9.834 8.962 6.721 1.00 1.53 H new ATOM 0 HG3 LYS A 44 10.576 8.012 7.994 1.00 1.53 H new ATOM 0 HD2 LYS A 44 9.990 10.993 8.187 1.00 1.94 H new ATOM 0 HD3 LYS A 44 8.952 9.734 8.827 1.00 1.94 H new ATOM 0 HE2 LYS A 44 10.856 8.945 10.267 1.00 2.69 H new ATOM 0 HE3 LYS A 44 11.826 10.277 9.671 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 10.802 10.814 11.783 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 10.193 11.831 10.568 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 9.253 10.540 11.145 1.00 3.46 H new ATOM 640 N TRP A 45 11.123 7.328 4.310 1.00 0.72 N ATOM 641 CA TRP A 45 10.181 7.203 3.219 1.00 0.62 C ATOM 642 C TRP A 45 8.847 6.670 3.726 1.00 0.53 C ATOM 643 O TRP A 45 8.796 5.667 4.443 1.00 0.53 O ATOM 644 CB TRP A 45 10.748 6.279 2.143 1.00 0.62 C ATOM 645 CG TRP A 45 9.784 5.979 1.036 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.302 6.853 0.106 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.189 4.712 0.740 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.449 6.209 -0.749 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.361 4.893 -0.381 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.276 3.443 1.314 1.00 0.47 C ATOM 651 CZ2 TRP A 45 7.628 3.852 -0.939 1.00 0.43 C ATOM 652 CZ3 TRP A 45 8.548 2.409 0.760 1.00 0.44 C ATOM 653 CH2 TRP A 45 7.733 2.618 -0.358 1.00 0.42 C ATOM 0 H TRP A 45 11.451 6.439 4.688 1.00 0.72 H new ATOM 0 HA TRP A 45 10.015 8.189 2.785 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.643 6.735 1.720 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.057 5.342 2.607 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.557 7.901 0.052 1.00 0.57 H new ATOM 0 HE1 TRP A 45 7.959 6.639 -1.533 1.00 0.51 H new ATOM 0 HE3 TRP A 45 9.902 3.273 2.177 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 6.998 4.012 -1.801 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 8.609 1.423 1.197 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.176 1.789 -0.770 1.00 0.42 H new ATOM 664 N GLU A 46 7.777 7.361 3.370 1.00 0.51 N ATOM 665 CA GLU A 46 6.437 6.923 3.710 1.00 0.48 C ATOM 666 C GLU A 46 5.773 6.333 2.467 1.00 0.39 C ATOM 667 O GLU A 46 5.550 7.042 1.490 1.00 0.42 O ATOM 668 CB GLU A 46 5.622 8.102 4.248 1.00 0.60 C ATOM 669 CG GLU A 46 6.334 8.862 5.358 1.00 1.17 C ATOM 670 CD GLU A 46 5.525 10.022 5.898 1.00 1.33 C ATOM 671 OE1 GLU A 46 5.379 11.039 5.184 1.00 1.73 O ATOM 672 OE2 GLU A 46 5.055 9.931 7.053 1.00 1.82 O ATOM 0 H GLU A 46 7.813 8.233 2.842 1.00 0.51 H new ATOM 0 HA GLU A 46 6.485 6.159 4.486 1.00 0.48 H new ATOM 0 HB2 GLU A 46 5.402 8.787 3.430 1.00 0.60 H new ATOM 0 HB3 GLU A 46 4.666 7.735 4.622 1.00 0.60 H new ATOM 0 HG2 GLU A 46 6.561 8.175 6.173 1.00 1.17 H new ATOM 0 HG3 GLU A 46 7.286 9.235 4.981 1.00 1.17 H new ATOM 679 N CYS A 47 5.496 5.031 2.490 1.00 0.32 N ATOM 680 CA CYS A 47 4.929 4.355 1.324 1.00 0.28 C ATOM 681 C CYS A 47 3.577 4.963 0.950 1.00 0.26 C ATOM 682 O CYS A 47 2.829 5.419 1.819 1.00 0.27 O ATOM 683 CB CYS A 47 4.774 2.847 1.583 1.00 0.28 C ATOM 684 SG CYS A 47 3.399 2.398 2.670 1.00 0.26 S ATOM 0 H CYS A 47 5.653 4.426 3.296 1.00 0.32 H new ATOM 0 HA CYS A 47 5.619 4.494 0.491 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.642 2.341 0.627 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.700 2.471 2.018 1.00 0.28 H new ATOM 689 N PRO A 48 3.246 4.968 -0.357 1.00 0.27 N ATOM 690 CA PRO A 48 1.990 5.542 -0.859 1.00 0.29 C ATOM 691 C PRO A 48 0.773 4.737 -0.414 1.00 0.27 C ATOM 692 O PRO A 48 -0.361 5.086 -0.725 1.00 0.30 O ATOM 693 CB PRO A 48 2.147 5.486 -2.381 1.00 0.35 C ATOM 694 CG PRO A 48 3.134 4.400 -2.625 1.00 0.34 C ATOM 695 CD PRO A 48 4.072 4.420 -1.449 1.00 0.29 C ATOM 0 HA PRO A 48 1.822 6.549 -0.478 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.196 5.272 -2.869 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.501 6.438 -2.777 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.637 3.434 -2.711 1.00 0.34 H new ATOM 0 HG3 PRO A 48 3.674 4.566 -3.557 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.439 3.421 -1.212 1.00 0.29 H new ATOM 0 HD3 PRO A 48 4.945 5.043 -1.643 1.00 0.29 H new ATOM 703 N TRP A 49 1.030 3.665 0.328 1.00 0.24 N ATOM 704 CA TRP A 49 -0.026 2.846 0.910 1.00 0.23 C ATOM 705 C TRP A 49 -0.619 3.567 2.121 1.00 0.23 C ATOM 706 O TRP A 49 -1.568 3.097 2.745 1.00 0.27 O ATOM 707 CB TRP A 49 0.543 1.478 1.315 1.00 0.22 C ATOM 708 CG TRP A 49 -0.486 0.401 1.492 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.553 0.141 0.679 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.528 -0.581 2.538 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.252 -0.943 1.151 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.648 -1.401 2.292 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.269 -0.850 3.660 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.987 -2.464 3.122 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.073 -1.909 4.482 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.193 -2.704 4.209 1.00 0.32 C ATOM 0 H TRP A 49 1.973 3.341 0.542 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.816 2.686 0.176 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.258 1.158 0.557 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.096 1.591 2.248 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.809 0.705 -0.205 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -3.086 -1.343 0.721 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.134 -0.242 3.878 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.850 -3.080 2.915 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.534 -2.126 5.349 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.434 -3.523 4.870 1.00 0.32 H new ATOM 727 N HIS A 50 -0.026 4.708 2.464 1.00 0.23 N ATOM 728 CA HIS A 50 -0.579 5.583 3.489 1.00 0.24 C ATOM 729 C HIS A 50 -1.143 6.844 2.849 1.00 0.25 C ATOM 730 O HIS A 50 -1.561 7.768 3.545 1.00 0.29 O ATOM 731 CB HIS A 50 0.487 6.007 4.498 1.00 0.27 C ATOM 732 CG HIS A 50 1.311 4.899 5.063 1.00 0.28 C ATOM 733 ND1 HIS A 50 0.828 3.663 5.424 1.00 0.32 N ATOM 734 CD2 HIS A 50 2.625 4.894 5.373 1.00 0.30 C ATOM 735 CE1 HIS A 50 1.850 2.961 5.935 1.00 0.35 C ATOM 736 NE2 HIS A 50 2.967 3.670 5.928 1.00 0.34 N ATOM 0 H HIS A 50 0.840 5.047 2.045 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.361 5.024 4.002 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.153 6.724 4.017 1.00 0.27 H new ATOM 0 HB3 HIS A 50 -0.003 6.529 5.320 1.00 0.27 H new ATOM 0 HD2 HIS A 50 3.306 5.717 5.213 1.00 0.30 H new ATOM 0 HE1 HIS A 50 1.771 1.949 6.304 1.00 0.35 H new ATOM 0 HE2 HIS A 50 3.886 3.378 6.261 1.00 0.34 H new ATOM 744 N GLN A 51 -1.131 6.892 1.526 1.00 0.25 N ATOM 745 CA GLN A 51 -1.541 8.089 0.806 1.00 0.28 C ATOM 746 C GLN A 51 -2.712 7.784 -0.111 1.00 0.24 C ATOM 747 O GLN A 51 -2.741 6.758 -0.789 1.00 0.26 O ATOM 748 CB GLN A 51 -0.375 8.667 -0.003 1.00 0.38 C ATOM 749 CG GLN A 51 0.846 8.988 0.845 1.00 0.48 C ATOM 750 CD GLN A 51 0.661 10.207 1.739 1.00 0.55 C ATOM 751 OE1 GLN A 51 1.001 11.326 1.356 1.00 0.83 O ATOM 752 NE2 GLN A 51 0.112 10.007 2.929 1.00 0.86 N ATOM 0 H GLN A 51 -0.842 6.117 0.929 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.853 8.832 1.539 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.093 7.956 -0.779 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.707 9.574 -0.508 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.084 8.125 1.466 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.701 9.155 0.189 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -0.158 9.066 3.214 1.00 0.86 H new ATOM 0 HE22 GLN A 51 -0.040 10.794 3.559 1.00 0.86 H new ATOM 761 N CYS A 52 -3.677 8.680 -0.116 1.00 0.23 N ATOM 762 CA CYS A 52 -4.871 8.516 -0.919 1.00 0.21 C ATOM 763 C CYS A 52 -4.519 8.574 -2.398 1.00 0.26 C ATOM 764 O CYS A 52 -3.929 9.547 -2.863 1.00 0.31 O ATOM 765 CB CYS A 52 -5.877 9.608 -0.566 1.00 0.22 C ATOM 766 SG CYS A 52 -7.463 9.483 -1.422 1.00 0.23 S ATOM 0 H CYS A 52 -3.656 9.539 0.434 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.316 7.543 -0.710 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.057 9.583 0.509 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.434 10.578 -0.792 1.00 0.22 H new ATOM 771 N ASP A 53 -4.884 7.533 -3.128 1.00 0.28 N ATOM 772 CA ASP A 53 -4.570 7.442 -4.550 1.00 0.35 C ATOM 773 C ASP A 53 -5.340 8.489 -5.353 1.00 0.36 C ATOM 774 O ASP A 53 -5.009 8.770 -6.504 1.00 0.42 O ATOM 775 CB ASP A 53 -4.881 6.036 -5.077 1.00 0.39 C ATOM 776 CG ASP A 53 -4.403 5.829 -6.501 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.255 5.647 -7.399 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.181 5.867 -6.736 1.00 0.64 O ATOM 0 H ASP A 53 -5.401 6.734 -2.760 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.505 7.638 -4.672 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.411 5.297 -4.429 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -5.956 5.864 -5.030 1.00 0.39 H new ATOM 783 N VAL A 54 -6.356 9.080 -4.734 1.00 0.33 N ATOM 784 CA VAL A 54 -7.172 10.079 -5.406 1.00 0.36 C ATOM 785 C VAL A 54 -6.633 11.494 -5.177 1.00 0.37 C ATOM 786 O VAL A 54 -6.310 12.200 -6.129 1.00 0.44 O ATOM 787 CB VAL A 54 -8.646 10.013 -4.952 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.480 11.060 -5.669 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.222 8.631 -5.196 1.00 0.33 C ATOM 0 H VAL A 54 -6.632 8.884 -3.772 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.123 9.850 -6.471 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.676 10.219 -3.882 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.515 10.994 -5.333 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.089 12.052 -5.446 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.436 10.886 -6.744 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.261 8.607 -4.869 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.171 8.398 -6.260 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.648 7.893 -4.635 1.00 0.33 H new ATOM 799 N CYS A 55 -6.522 11.912 -3.918 1.00 0.34 N ATOM 800 CA CYS A 55 -6.156 13.297 -3.634 1.00 0.36 C ATOM 801 C CYS A 55 -4.714 13.438 -3.139 1.00 0.35 C ATOM 802 O CYS A 55 -4.209 14.552 -3.004 1.00 0.41 O ATOM 803 CB CYS A 55 -7.130 13.920 -2.630 1.00 0.37 C ATOM 804 SG CYS A 55 -7.153 13.136 -1.001 1.00 0.32 S ATOM 0 H CYS A 55 -6.676 11.328 -3.096 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.222 13.838 -4.578 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -6.877 14.973 -2.506 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.135 13.881 -3.050 1.00 0.37 H new ATOM 809 N GLY A 56 -4.054 12.320 -2.863 1.00 0.33 N ATOM 810 CA GLY A 56 -2.661 12.365 -2.455 1.00 0.36 C ATOM 811 C GLY A 56 -2.469 12.676 -0.982 1.00 0.38 C ATOM 812 O GLY A 56 -1.343 12.680 -0.493 1.00 0.49 O ATOM 0 H GLY A 56 -4.457 11.384 -2.914 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.194 11.406 -2.679 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.142 13.118 -3.047 1.00 0.36 H new ATOM 816 N LYS A 57 -3.557 12.940 -0.265 1.00 0.35 N ATOM 817 CA LYS A 57 -3.465 13.229 1.163 1.00 0.39 C ATOM 818 C LYS A 57 -3.353 11.939 1.963 1.00 0.33 C ATOM 819 O LYS A 57 -3.293 10.853 1.388 1.00 0.33 O ATOM 820 CB LYS A 57 -4.669 14.038 1.644 1.00 0.48 C ATOM 821 CG LYS A 57 -4.828 15.374 0.941 1.00 0.65 C ATOM 822 CD LYS A 57 -5.889 16.226 1.615 1.00 0.78 C ATOM 823 CE LYS A 57 -6.071 17.559 0.907 1.00 1.16 C ATOM 824 NZ LYS A 57 -6.736 17.406 -0.412 1.00 1.91 N ATOM 0 H LYS A 57 -4.504 12.960 -0.644 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.567 13.825 1.322 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.574 13.449 1.495 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -4.574 14.211 2.716 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -3.876 15.905 0.943 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.099 15.209 -0.102 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -6.836 15.687 1.626 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -5.610 16.401 2.654 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -6.663 18.225 1.535 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -5.098 18.031 0.769 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -6.916 18.345 -0.821 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -6.120 16.863 -1.050 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -7.638 16.903 -0.290 1.00 1.91 H new ATOM 838 N GLU A 58 -3.330 12.058 3.283 1.00 0.35 N ATOM 839 CA GLU A 58 -3.203 10.894 4.146 1.00 0.37 C ATOM 840 C GLU A 58 -4.406 9.966 3.990 1.00 0.30 C ATOM 841 O GLU A 58 -5.554 10.411 3.891 1.00 0.36 O ATOM 842 CB GLU A 58 -3.034 11.308 5.612 1.00 0.51 C ATOM 843 CG GLU A 58 -4.240 12.016 6.200 1.00 0.88 C ATOM 844 CD GLU A 58 -4.062 12.337 7.667 1.00 1.30 C ATOM 845 OE1 GLU A 58 -3.894 13.525 8.009 1.00 1.50 O ATOM 846 OE2 GLU A 58 -4.093 11.397 8.489 1.00 2.03 O ATOM 0 H GLU A 58 -3.398 12.947 3.778 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.308 10.352 3.840 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.822 10.420 6.207 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -2.166 11.962 5.696 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -4.421 12.939 5.648 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -5.123 11.390 6.072 1.00 0.88 H new ATOM 853 N ALA A 59 -4.128 8.678 3.943 1.00 0.26 N ATOM 854 CA ALA A 59 -5.160 7.672 3.789 1.00 0.21 C ATOM 855 C ALA A 59 -5.606 7.148 5.143 1.00 0.23 C ATOM 856 O ALA A 59 -4.804 7.036 6.072 1.00 0.30 O ATOM 857 CB ALA A 59 -4.652 6.532 2.928 1.00 0.22 C ATOM 0 H ALA A 59 -3.183 8.300 4.010 1.00 0.26 H new ATOM 0 HA ALA A 59 -6.019 8.131 3.299 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.435 5.782 2.819 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.375 6.914 1.945 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.780 6.080 3.400 1.00 0.22 H new ATOM 863 N ALA A 60 -6.886 6.827 5.249 1.00 0.20 N ATOM 864 CA ALA A 60 -7.439 6.315 6.489 1.00 0.23 C ATOM 865 C ALA A 60 -7.684 4.817 6.386 1.00 0.23 C ATOM 866 O ALA A 60 -7.572 4.090 7.369 1.00 0.30 O ATOM 867 CB ALA A 60 -8.726 7.044 6.834 1.00 0.27 C ATOM 0 H ALA A 60 -7.561 6.913 4.489 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.718 6.489 7.288 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -9.129 6.649 7.767 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.522 8.108 6.949 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.452 6.898 6.034 1.00 0.27 H new ATOM 873 N SER A 61 -8.018 4.363 5.189 1.00 0.21 N ATOM 874 CA SER A 61 -8.245 2.953 4.949 1.00 0.23 C ATOM 875 C SER A 61 -7.420 2.490 3.753 1.00 0.20 C ATOM 876 O SER A 61 -7.355 3.181 2.729 1.00 0.30 O ATOM 877 CB SER A 61 -9.734 2.707 4.720 1.00 0.30 C ATOM 878 OG SER A 61 -10.245 3.587 3.734 1.00 0.35 O ATOM 0 H SER A 61 -8.138 4.956 4.367 1.00 0.21 H new ATOM 0 HA SER A 61 -7.931 2.377 5.819 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.893 1.674 4.409 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.278 2.846 5.654 1.00 0.30 H new ATOM 0 HG SER A 61 -10.457 3.081 2.922 1.00 0.35 H new ATOM 884 N PHE A 62 -6.791 1.332 3.885 1.00 0.21 N ATOM 885 CA PHE A 62 -5.850 0.856 2.878 1.00 0.20 C ATOM 886 C PHE A 62 -6.377 -0.416 2.218 1.00 0.19 C ATOM 887 O PHE A 62 -6.868 -1.313 2.903 1.00 0.22 O ATOM 888 CB PHE A 62 -4.486 0.561 3.529 1.00 0.26 C ATOM 889 CG PHE A 62 -4.127 1.477 4.672 1.00 0.30 C ATOM 890 CD1 PHE A 62 -3.742 0.975 5.906 1.00 0.68 C ATOM 891 CD2 PHE A 62 -4.172 2.852 4.502 1.00 0.29 C ATOM 892 CE1 PHE A 62 -3.408 1.823 6.943 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.841 3.704 5.536 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.473 3.140 6.803 1.00 0.47 C ATOM 0 H PHE A 62 -6.914 0.703 4.679 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.734 1.632 2.121 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.485 -0.467 3.890 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.711 0.632 2.766 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -3.703 -0.094 6.058 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -4.470 3.262 3.548 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -3.088 1.406 7.886 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -3.859 4.775 5.394 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.250 3.786 7.639 1.00 0.47 H new ATOM 904 N CYS A 63 -6.290 -0.493 0.889 1.00 0.18 N ATOM 905 CA CYS A 63 -6.650 -1.719 0.189 1.00 0.18 C ATOM 906 C CYS A 63 -5.652 -2.813 0.536 1.00 0.19 C ATOM 907 O CYS A 63 -4.445 -2.622 0.412 1.00 0.22 O ATOM 908 CB CYS A 63 -6.693 -1.516 -1.330 1.00 0.20 C ATOM 909 SG CYS A 63 -7.264 -2.975 -2.234 1.00 0.23 S ATOM 0 H CYS A 63 -5.978 0.269 0.287 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.650 -2.010 0.511 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.349 -0.676 -1.558 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.697 -1.247 -1.681 1.00 0.20 H new ATOM 914 N GLU A 64 -6.159 -3.955 0.961 1.00 0.19 N ATOM 915 CA GLU A 64 -5.309 -5.052 1.388 1.00 0.23 C ATOM 916 C GLU A 64 -5.048 -6.012 0.233 1.00 0.25 C ATOM 917 O GLU A 64 -4.718 -7.181 0.440 1.00 0.29 O ATOM 918 CB GLU A 64 -5.949 -5.784 2.568 1.00 0.24 C ATOM 919 CG GLU A 64 -6.226 -4.872 3.756 1.00 0.24 C ATOM 920 CD GLU A 64 -6.798 -5.607 4.946 1.00 0.29 C ATOM 921 OE1 GLU A 64 -6.017 -5.968 5.852 1.00 0.42 O ATOM 922 OE2 GLU A 64 -8.024 -5.824 4.982 1.00 0.32 O ATOM 0 H GLU A 64 -7.159 -4.148 1.020 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.350 -4.646 1.710 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.884 -6.240 2.242 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.293 -6.594 2.885 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.300 -4.379 4.052 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.921 -4.089 3.451 1.00 0.24 H new ATOM 929 N MET A 65 -5.218 -5.513 -0.989 1.00 0.27 N ATOM 930 CA MET A 65 -4.906 -6.297 -2.179 1.00 0.32 C ATOM 931 C MET A 65 -3.998 -5.525 -3.137 1.00 0.35 C ATOM 932 O MET A 65 -3.581 -6.060 -4.166 1.00 0.44 O ATOM 933 CB MET A 65 -6.182 -6.715 -2.910 1.00 0.34 C ATOM 934 CG MET A 65 -7.087 -7.636 -2.104 1.00 0.36 C ATOM 935 SD MET A 65 -8.603 -8.065 -2.984 1.00 0.70 S ATOM 936 CE MET A 65 -7.938 -8.774 -4.490 1.00 1.54 C ATOM 0 H MET A 65 -5.568 -4.574 -1.180 1.00 0.27 H new ATOM 0 HA MET A 65 -4.378 -7.190 -1.844 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.742 -5.820 -3.182 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.908 -7.214 -3.839 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.544 -8.548 -1.858 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.343 -7.153 -1.161 1.00 0.36 H new ATOM 0 HE1 MET A 65 -8.708 -9.366 -4.985 1.00 1.54 H new ATOM 0 HE2 MET A 65 -7.612 -7.975 -5.155 1.00 1.54 H new ATOM 0 HE3 MET A 65 -7.089 -9.413 -4.247 1.00 1.54 H new ATOM 946 N CYS A 66 -3.690 -4.271 -2.802 1.00 0.32 N ATOM 947 CA CYS A 66 -2.830 -3.445 -3.643 1.00 0.34 C ATOM 948 C CYS A 66 -2.450 -2.171 -2.886 1.00 0.33 C ATOM 949 O CYS A 66 -3.090 -1.834 -1.891 1.00 0.32 O ATOM 950 CB CYS A 66 -3.548 -3.090 -4.950 1.00 0.35 C ATOM 951 SG CYS A 66 -4.792 -1.793 -4.781 1.00 0.32 S ATOM 0 H CYS A 66 -4.023 -3.808 -1.956 1.00 0.32 H new ATOM 0 HA CYS A 66 -1.925 -4.002 -3.887 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -2.807 -2.774 -5.684 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.025 -3.987 -5.345 1.00 0.35 H new ATOM 956 N PRO A 67 -1.416 -1.434 -3.348 1.00 0.35 N ATOM 957 CA PRO A 67 -0.922 -0.233 -2.660 1.00 0.37 C ATOM 958 C PRO A 67 -1.837 0.984 -2.821 1.00 0.37 C ATOM 959 O PRO A 67 -1.429 2.109 -2.535 1.00 0.46 O ATOM 960 CB PRO A 67 0.436 0.048 -3.330 1.00 0.41 C ATOM 961 CG PRO A 67 0.716 -1.141 -4.187 1.00 0.42 C ATOM 962 CD PRO A 67 -0.626 -1.708 -4.555 1.00 0.38 C ATOM 0 HA PRO A 67 -0.867 -0.404 -1.585 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.398 0.960 -3.926 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.219 0.187 -2.585 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.278 -0.857 -5.077 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.317 -1.876 -3.651 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.046 -1.223 -5.436 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.572 -2.774 -4.774 1.00 0.38 H new ATOM 970 N SER A 68 -3.061 0.766 -3.285 1.00 0.33 N ATOM 971 CA SER A 68 -4.011 1.856 -3.461 1.00 0.33 C ATOM 972 C SER A 68 -4.806 2.090 -2.179 1.00 0.27 C ATOM 973 O SER A 68 -5.677 1.297 -1.817 1.00 0.40 O ATOM 974 CB SER A 68 -4.961 1.559 -4.623 1.00 0.37 C ATOM 975 OG SER A 68 -4.236 1.286 -5.814 1.00 0.46 O ATOM 0 H SER A 68 -3.418 -0.153 -3.546 1.00 0.33 H new ATOM 0 HA SER A 68 -3.449 2.761 -3.692 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.592 0.706 -4.373 1.00 0.37 H new ATOM 0 HB3 SER A 68 -5.624 2.410 -4.783 1.00 0.37 H new ATOM 0 HG SER A 68 -4.159 0.317 -5.935 1.00 0.46 H new ATOM 981 N SER A 69 -4.494 3.172 -1.493 1.00 0.21 N ATOM 982 CA SER A 69 -5.185 3.528 -0.266 1.00 0.17 C ATOM 983 C SER A 69 -6.002 4.801 -0.471 1.00 0.16 C ATOM 984 O SER A 69 -5.765 5.545 -1.423 1.00 0.18 O ATOM 985 CB SER A 69 -4.166 3.698 0.860 1.00 0.24 C ATOM 986 OG SER A 69 -3.036 4.431 0.417 1.00 0.38 O ATOM 0 H SER A 69 -3.760 3.826 -1.766 1.00 0.21 H new ATOM 0 HA SER A 69 -5.876 2.731 0.010 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.631 4.213 1.701 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.850 2.719 1.220 1.00 0.24 H new ATOM 0 HG SER A 69 -3.333 5.214 -0.093 1.00 0.38 H new ATOM 992 N PHE A 70 -6.964 5.056 0.412 1.00 0.15 N ATOM 993 CA PHE A 70 -7.864 6.189 0.239 1.00 0.15 C ATOM 994 C PHE A 70 -8.076 6.929 1.557 1.00 0.16 C ATOM 995 O PHE A 70 -7.982 6.343 2.639 1.00 0.18 O ATOM 996 CB PHE A 70 -9.212 5.716 -0.304 1.00 0.16 C ATOM 997 CG PHE A 70 -9.115 4.938 -1.587 1.00 0.18 C ATOM 998 CD1 PHE A 70 -8.893 5.585 -2.792 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.249 3.561 -1.584 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -8.803 4.869 -3.972 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.160 2.839 -2.759 1.00 0.24 C ATOM 1002 CZ PHE A 70 -8.937 3.494 -3.954 1.00 0.25 C ATOM 0 H PHE A 70 -7.138 4.498 1.248 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.405 6.874 -0.474 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.698 5.096 0.449 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.852 6.583 -0.464 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -8.789 6.660 -2.810 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.425 3.044 -0.652 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.628 5.384 -4.905 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.265 1.764 -2.743 1.00 0.24 H new ATOM 0 HZ PHE A 70 -8.867 2.932 -4.874 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.356 8.222 1.452 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.627 9.055 2.618 1.00 0.22 C ATOM 1014 C CYS A 71 -10.056 8.831 3.105 1.00 0.23 C ATOM 1015 O CYS A 71 -10.789 8.044 2.511 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.421 10.528 2.263 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.631 11.169 1.085 1.00 0.26 S ATOM 0 H CYS A 71 -8.402 8.720 0.563 1.00 0.18 H new ATOM 0 HA CYS A 71 -7.937 8.780 3.416 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.466 11.122 3.176 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.421 10.656 1.849 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.455 9.522 4.168 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.802 9.371 4.715 1.00 0.33 C ATOM 1024 C LYS A 72 -12.861 9.661 3.653 1.00 0.34 C ATOM 1025 O LYS A 72 -13.889 8.986 3.585 1.00 0.38 O ATOM 1026 CB LYS A 72 -12.007 10.299 5.910 1.00 0.40 C ATOM 1027 CG LYS A 72 -11.064 10.028 7.068 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.211 11.076 8.155 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.194 10.871 9.262 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.206 11.983 10.248 1.00 1.23 N ATOM 0 H LYS A 72 -9.868 10.190 4.668 1.00 0.29 H new ATOM 0 HA LYS A 72 -11.910 8.337 5.044 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.878 11.331 5.583 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.035 10.202 6.261 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.267 9.040 7.482 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -10.035 10.017 6.707 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -11.087 12.069 7.724 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.218 11.033 8.571 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -10.401 9.931 9.774 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -9.198 10.784 8.827 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -9.496 11.801 10.986 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -9.983 12.877 9.766 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -11.148 12.051 10.684 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.587 10.648 2.811 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.530 11.053 1.775 1.00 0.36 C ATOM 1046 C GLN A 73 -13.576 10.040 0.640 1.00 0.31 C ATOM 1047 O GLN A 73 -14.645 9.561 0.263 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.154 12.422 1.210 1.00 0.41 C ATOM 1049 CG GLN A 73 -13.198 13.549 2.226 1.00 1.17 C ATOM 1050 CD GLN A 73 -13.045 14.909 1.575 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -11.933 15.402 1.390 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -14.163 15.523 1.216 1.00 2.20 N ATOM 0 H GLN A 73 -11.719 11.184 2.824 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.515 11.107 2.238 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -12.150 12.366 0.790 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -13.830 12.662 0.389 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -14.143 13.511 2.768 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -12.404 13.407 2.959 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -15.066 15.080 1.387 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -14.121 16.439 0.768 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.410 9.697 0.116 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.332 8.915 -1.114 1.00 0.21 C ATOM 1063 C HIS A 74 -12.300 7.415 -0.844 1.00 0.19 C ATOM 1064 O HIS A 74 -12.034 6.625 -1.742 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.111 9.342 -1.942 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.177 10.774 -2.380 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.074 11.595 -2.373 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.249 11.483 -2.797 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.504 12.781 -2.770 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -11.816 12.760 -3.043 1.00 0.34 N ATOM 0 H HIS A 74 -11.506 9.945 0.519 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.238 9.117 -1.685 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.207 9.189 -1.353 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.032 8.702 -2.820 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -13.257 11.113 -2.914 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -9.877 13.656 -2.862 1.00 0.33 H new ATOM 0 HE2 HIS A 74 -12.382 13.543 -3.370 1.00 0.34 H new ATOM 1078 N ARG A 75 -12.564 7.023 0.394 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.680 5.606 0.725 1.00 0.20 C ATOM 1080 C ARG A 75 -14.111 5.135 0.522 1.00 0.23 C ATOM 1081 O ARG A 75 -14.354 3.972 0.189 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.239 5.333 2.166 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.143 5.953 3.218 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.606 5.744 4.624 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.441 6.415 5.620 1.00 0.53 N ATOM 1086 CZ ARG A 75 -13.432 6.137 6.923 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.645 5.180 7.404 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -14.220 6.817 7.743 1.00 0.92 N ATOM 0 H ARG A 75 -12.701 7.658 1.181 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.020 5.051 0.058 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.200 4.255 2.325 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.226 5.712 2.303 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.246 7.021 3.024 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.139 5.518 3.142 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.562 4.677 4.843 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.586 6.125 4.686 1.00 0.39 H new ATOM 0 HE ARG A 75 -14.074 7.146 5.295 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -12.041 4.652 6.774 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -12.645 4.974 8.403 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.829 7.548 7.376 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -14.218 6.609 8.742 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.054 6.048 0.712 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.463 5.721 0.613 1.00 0.34 C ATOM 1104 C GLU A 76 -16.830 5.383 -0.823 1.00 0.32 C ATOM 1105 O GLU A 76 -16.591 6.174 -1.734 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.319 6.877 1.127 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.140 7.148 2.614 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.061 8.232 3.126 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -18.941 7.930 3.958 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -17.910 9.396 2.701 1.00 1.65 O ATOM 0 H GLU A 76 -14.863 7.025 0.936 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.659 4.847 1.234 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.071 7.779 0.568 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.368 6.658 0.929 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.323 6.229 3.171 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.106 7.436 2.805 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.392 4.200 -1.021 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.752 3.767 -2.354 1.00 0.42 C ATOM 1119 C GLY A 77 -16.572 3.213 -3.135 1.00 0.40 C ATOM 1120 O GLY A 77 -16.743 2.702 -4.243 1.00 0.58 O ATOM 0 H GLY A 77 -17.605 3.532 -0.281 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.527 3.003 -2.286 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.180 4.607 -2.900 1.00 0.42 H new ATOM 1124 N MET A 78 -15.375 3.307 -2.566 1.00 0.29 N ATOM 1125 CA MET A 78 -14.174 2.835 -3.248 1.00 0.27 C ATOM 1126 C MET A 78 -13.589 1.593 -2.580 1.00 0.24 C ATOM 1127 O MET A 78 -13.055 0.716 -3.257 1.00 0.28 O ATOM 1128 CB MET A 78 -13.112 3.938 -3.306 1.00 0.29 C ATOM 1129 CG MET A 78 -13.508 5.120 -4.184 1.00 0.35 C ATOM 1130 SD MET A 78 -13.815 4.638 -5.895 1.00 0.58 S ATOM 1131 CE MET A 78 -14.219 6.227 -6.619 1.00 1.51 C ATOM 0 H MET A 78 -15.210 3.703 -1.641 1.00 0.29 H new ATOM 0 HA MET A 78 -14.470 2.566 -4.262 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.916 4.296 -2.295 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.180 3.514 -3.680 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.404 5.588 -3.775 1.00 0.35 H new ATOM 0 HG3 MET A 78 -12.717 5.869 -4.157 1.00 0.35 H new ATOM 0 HE1 MET A 78 -14.435 6.099 -7.680 1.00 1.51 H new ATOM 0 HE2 MET A 78 -15.093 6.644 -6.118 1.00 1.51 H new ATOM 0 HE3 MET A 78 -13.375 6.906 -6.500 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.676 1.515 -1.259 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.124 0.377 -0.543 1.00 0.22 C ATOM 1143 C LEU A 79 -14.243 -0.412 0.135 1.00 0.25 C ATOM 1144 O LEU A 79 -15.199 0.170 0.645 1.00 0.32 O ATOM 1145 CB LEU A 79 -12.107 0.877 0.491 1.00 0.24 C ATOM 1146 CG LEU A 79 -11.117 -0.163 1.023 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.271 -0.740 -0.100 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.223 0.464 2.074 1.00 0.27 C ATOM 0 H LEU A 79 -14.119 2.219 -0.668 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.620 -0.288 -1.244 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.539 1.694 0.046 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.655 1.293 1.337 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.687 -0.977 1.471 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.578 -1.475 0.308 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.919 -1.220 -0.834 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.709 0.061 -0.581 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.522 -0.282 2.447 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.670 1.293 1.633 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.834 0.832 2.898 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.125 -1.731 0.132 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.134 -2.603 0.723 1.00 0.31 C ATOM 1162 C PHE A 80 -14.480 -3.865 1.278 1.00 0.31 C ATOM 1163 O PHE A 80 -13.328 -4.156 0.970 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.199 -2.962 -0.328 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.636 -3.474 -1.630 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.543 -2.636 -2.732 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.205 -4.785 -1.754 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.031 -3.097 -3.930 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -14.691 -5.250 -2.950 1.00 0.46 C ATOM 1170 CZ PHE A 80 -14.605 -4.405 -4.039 1.00 0.45 C ATOM 0 H PHE A 80 -13.333 -2.227 -0.277 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.620 -2.078 1.545 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -16.864 -3.718 0.089 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.806 -2.079 -0.530 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.875 -1.611 -2.653 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -15.271 -5.451 -0.907 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -14.964 -2.434 -4.780 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -14.357 -6.274 -3.033 1.00 0.46 H new ATOM 0 HZ PHE A 80 -14.205 -4.767 -4.974 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.212 -4.609 2.097 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.685 -5.827 2.697 1.00 0.38 C ATOM 1182 C ILE A 81 -14.950 -7.041 1.812 1.00 0.42 C ATOM 1183 O ILE A 81 -16.070 -7.258 1.346 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.285 -6.073 4.100 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.756 -5.043 5.098 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -14.975 -7.480 4.588 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.282 -5.191 5.404 1.00 0.44 C ATOM 0 H ILE A 81 -16.173 -4.390 2.361 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.608 -5.689 2.795 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.367 -5.967 4.024 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -14.937 -4.043 4.704 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.321 -5.127 6.027 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.409 -7.626 5.577 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.399 -8.207 3.895 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -13.895 -7.617 4.642 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -12.980 -4.426 6.119 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -13.096 -6.178 5.828 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.706 -5.076 4.485 1.00 0.44 H new ATOM 1199 N SER A 82 -13.903 -7.816 1.578 1.00 0.41 N ATOM 1200 CA SER A 82 -14.014 -9.064 0.850 1.00 0.47 C ATOM 1201 C SER A 82 -14.524 -10.156 1.777 1.00 0.54 C ATOM 1202 O SER A 82 -13.966 -10.375 2.847 1.00 0.61 O ATOM 1203 CB SER A 82 -12.650 -9.464 0.284 1.00 0.57 C ATOM 1204 OG SER A 82 -12.692 -10.759 -0.290 1.00 0.79 O ATOM 0 H SER A 82 -12.956 -7.596 1.887 1.00 0.41 H new ATOM 0 HA SER A 82 -14.716 -8.933 0.027 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.339 -8.740 -0.469 1.00 0.57 H new ATOM 0 HB3 SER A 82 -11.903 -9.439 1.077 1.00 0.57 H new ATOM 0 HG SER A 82 -11.808 -10.988 -0.645 1.00 0.79 H new ATOM 1210 N LYS A 83 -15.577 -10.845 1.365 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.146 -11.916 2.173 1.00 0.80 C ATOM 1212 C LYS A 83 -15.248 -13.152 2.143 1.00 0.81 C ATOM 1213 O LYS A 83 -15.494 -14.129 2.851 1.00 0.91 O ATOM 1214 CB LYS A 83 -17.551 -12.266 1.683 1.00 0.98 C ATOM 1215 CG LYS A 83 -18.535 -11.109 1.783 1.00 1.06 C ATOM 1216 CD LYS A 83 -19.943 -11.524 1.380 1.00 1.34 C ATOM 1217 CE LYS A 83 -20.550 -12.515 2.366 1.00 2.08 C ATOM 1218 NZ LYS A 83 -20.686 -11.938 3.731 1.00 2.62 N ATOM 0 H LYS A 83 -16.055 -10.683 0.478 1.00 0.65 H new ATOM 0 HA LYS A 83 -16.214 -11.567 3.203 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -17.494 -12.595 0.645 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -17.931 -13.107 2.264 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -18.547 -10.730 2.805 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.201 -10.292 1.144 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -20.578 -10.640 1.317 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -19.919 -11.970 0.386 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -21.530 -12.828 2.007 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -19.927 -13.408 2.411 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -21.322 -12.534 4.298 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -19.752 -11.898 4.186 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -21.080 -10.978 3.664 1.00 2.62 H new ATOM 1232 N LEU A 84 -14.207 -13.096 1.324 1.00 0.76 N ATOM 1233 CA LEU A 84 -13.271 -14.200 1.194 1.00 0.81 C ATOM 1234 C LEU A 84 -12.342 -14.272 2.403 1.00 0.76 C ATOM 1235 O LEU A 84 -12.254 -15.303 3.070 1.00 0.81 O ATOM 1236 CB LEU A 84 -12.446 -14.045 -0.084 1.00 0.90 C ATOM 1237 CG LEU A 84 -13.249 -13.994 -1.388 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -12.326 -13.761 -2.574 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -14.045 -15.277 -1.581 1.00 1.25 C ATOM 0 H LEU A 84 -13.990 -12.291 0.736 1.00 0.76 H new ATOM 0 HA LEU A 84 -13.844 -15.126 1.142 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -11.856 -13.132 -0.006 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -11.742 -14.875 -0.144 1.00 0.90 H new ATOM 0 HG LEU A 84 -13.949 -13.161 -1.324 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -12.914 -13.728 -3.491 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -11.800 -12.815 -2.445 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -11.602 -14.573 -2.636 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -14.608 -15.219 -2.513 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -13.363 -16.126 -1.621 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -14.736 -15.406 -0.748 1.00 1.25 H new ATOM 1251 N ASP A 85 -11.657 -13.170 2.687 1.00 0.72 N ATOM 1252 CA ASP A 85 -10.680 -13.144 3.778 1.00 0.75 C ATOM 1253 C ASP A 85 -10.975 -12.034 4.779 1.00 0.66 C ATOM 1254 O ASP A 85 -10.231 -11.849 5.740 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.261 -12.960 3.233 1.00 0.85 C ATOM 1256 CG ASP A 85 -8.816 -14.099 2.342 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -8.977 -13.989 1.111 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -8.287 -15.099 2.868 1.00 1.42 O ATOM 0 H ASP A 85 -11.756 -12.288 2.184 1.00 0.72 H new ATOM 0 HA ASP A 85 -10.756 -14.103 4.290 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -9.212 -12.027 2.672 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -8.567 -12.867 4.068 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.048 -11.287 4.552 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.380 -10.177 5.429 1.00 0.56 C ATOM 1265 C GLY A 86 -11.464 -8.989 5.210 1.00 0.48 C ATOM 1266 O GLY A 86 -11.388 -8.084 6.043 1.00 0.50 O ATOM 0 H GLY A 86 -12.695 -11.429 3.777 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.413 -9.875 5.257 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.311 -10.502 6.467 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.772 -8.997 4.082 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.808 -7.958 3.760 1.00 0.39 C ATOM 1272 C ARG A 87 -10.447 -6.857 2.928 1.00 0.33 C ATOM 1273 O ARG A 87 -11.385 -7.104 2.171 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.627 -8.565 3.007 1.00 0.46 C ATOM 1275 CG ARG A 87 -7.812 -9.530 3.848 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.670 -10.130 3.053 1.00 0.96 C ATOM 1277 NE ARG A 87 -5.898 -11.088 3.843 1.00 1.25 N ATOM 1278 CZ ARG A 87 -5.429 -12.244 3.370 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -5.660 -12.597 2.109 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -4.731 -13.049 4.159 1.00 2.10 N ATOM 0 H ARG A 87 -10.862 -9.720 3.368 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.455 -7.516 4.692 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -8.997 -9.086 2.124 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -7.978 -7.763 2.655 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.416 -9.010 4.720 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.457 -10.327 4.218 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.066 -10.626 2.167 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -6.012 -9.333 2.705 1.00 0.96 H new ATOM 0 HE ARG A 87 -5.706 -10.858 4.818 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -6.198 -11.983 1.498 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -5.299 -13.482 1.753 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -4.552 -12.785 5.128 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -4.373 -13.933 3.797 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.938 -5.648 3.084 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.417 -4.503 2.326 1.00 0.26 C ATOM 1296 C LEU A 88 -9.948 -4.578 0.878 1.00 0.24 C ATOM 1297 O LEU A 88 -8.755 -4.725 0.610 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.914 -3.206 2.959 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.493 -2.878 4.333 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.589 -1.902 5.066 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.889 -2.291 4.193 1.00 0.44 C ATOM 0 H LEU A 88 -9.184 -5.431 3.736 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.507 -4.517 2.343 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.829 -3.261 3.045 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -10.139 -2.381 2.283 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.557 -3.800 4.910 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -10.014 -1.677 6.044 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.601 -2.346 5.193 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -9.502 -0.982 4.488 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -12.288 -2.062 5.181 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.842 -1.377 3.600 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.539 -3.012 3.697 1.00 0.44 H new ATOM 1313 N SER A 89 -10.886 -4.480 -0.045 1.00 0.22 N ATOM 1314 CA SER A 89 -10.577 -4.525 -1.464 1.00 0.23 C ATOM 1315 C SER A 89 -11.134 -3.283 -2.160 1.00 0.21 C ATOM 1316 O SER A 89 -12.255 -2.855 -1.880 1.00 0.22 O ATOM 1317 CB SER A 89 -11.157 -5.795 -2.088 1.00 0.28 C ATOM 1318 OG SER A 89 -10.724 -5.953 -3.428 1.00 0.55 O ATOM 0 H SER A 89 -11.878 -4.368 0.164 1.00 0.22 H new ATOM 0 HA SER A 89 -9.495 -4.540 -1.592 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.855 -6.662 -1.501 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.246 -5.753 -2.058 1.00 0.28 H new ATOM 0 HG SER A 89 -10.223 -6.791 -3.513 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.326 -2.681 -3.025 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.719 -1.464 -3.727 1.00 0.24 C ATOM 1326 C CYS A 90 -11.519 -1.797 -4.988 1.00 0.27 C ATOM 1327 O CYS A 90 -11.531 -2.939 -5.448 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.478 -0.642 -4.101 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.467 -1.381 -5.404 1.00 0.28 S ATOM 0 H CYS A 90 -9.391 -3.017 -3.258 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.350 -0.877 -3.060 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -9.796 0.350 -4.422 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -8.863 -0.508 -3.211 1.00 0.25 H new ATOM 1334 N THR A 91 -12.164 -0.779 -5.552 1.00 0.30 N ATOM 1335 CA THR A 91 -13.004 -0.938 -6.732 1.00 0.36 C ATOM 1336 C THR A 91 -12.186 -1.086 -8.013 1.00 0.43 C ATOM 1337 O THR A 91 -12.723 -1.005 -9.115 1.00 0.54 O ATOM 1338 CB THR A 91 -13.951 0.260 -6.873 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.229 1.478 -6.635 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.113 0.146 -5.902 1.00 0.38 C ATOM 0 H THR A 91 -12.118 0.178 -5.203 1.00 0.30 H new ATOM 0 HA THR A 91 -13.576 -1.855 -6.592 1.00 0.36 H new ATOM 0 HB THR A 91 -14.352 0.269 -7.886 1.00 0.39 H new ATOM 0 HG1 THR A 91 -13.862 2.205 -6.458 1.00 0.43 H new ATOM 0 HG21 THR A 91 -15.771 1.007 -6.020 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.670 -0.768 -6.107 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.732 0.118 -4.881 1.00 0.38 H new ATOM 1348 N GLU A 92 -10.886 -1.294 -7.863 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.014 -1.538 -9.001 1.00 0.52 C ATOM 1350 C GLU A 92 -9.782 -3.032 -9.176 1.00 0.51 C ATOM 1351 O GLU A 92 -8.916 -3.451 -9.943 1.00 0.63 O ATOM 1352 CB GLU A 92 -8.674 -0.829 -8.810 1.00 0.56 C ATOM 1353 CG GLU A 92 -8.767 0.687 -8.841 1.00 0.66 C ATOM 1354 CD GLU A 92 -9.237 1.212 -10.180 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -10.280 1.896 -10.223 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -8.572 0.933 -11.201 1.00 1.54 O ATOM 0 H GLU A 92 -10.411 -1.298 -6.960 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.498 -1.144 -9.894 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.244 -1.137 -7.857 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -7.987 -1.157 -9.590 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.452 1.022 -8.062 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -7.790 1.112 -8.610 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.549 -3.834 -8.450 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.382 -5.282 -8.478 1.00 0.53 C ATOM 1365 C HIS A 93 -11.687 -5.967 -8.869 1.00 0.67 C ATOM 1366 O HIS A 93 -12.216 -6.790 -8.121 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.922 -5.808 -7.112 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.638 -5.218 -6.605 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.712 -4.562 -7.385 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.142 -5.202 -5.346 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.706 -4.172 -6.588 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -6.919 -4.536 -5.336 1.00 0.32 N ATOM 0 H HIS A 93 -11.293 -3.507 -7.834 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.619 -5.511 -9.222 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.707 -5.614 -6.381 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.807 -6.890 -7.176 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.779 -4.401 -8.390 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.621 -5.639 -4.482 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.835 -3.631 -6.926 1.00 0.36 H new ATOM 1380 N ASP A 94 -12.208 -5.617 -10.031 1.00 0.83 N ATOM 1381 CA ASP A 94 -13.437 -6.222 -10.527 1.00 1.02 C ATOM 1382 C ASP A 94 -13.115 -7.426 -11.398 1.00 1.33 C ATOM 1383 O ASP A 94 -13.146 -7.289 -12.639 1.00 1.92 O ATOM 1384 CB ASP A 94 -14.272 -5.216 -11.329 1.00 1.54 C ATOM 1385 CG ASP A 94 -14.818 -4.087 -10.482 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -15.705 -4.345 -9.640 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -14.382 -2.932 -10.668 1.00 2.65 O ATOM 1388 OXT ASP A 94 -12.806 -8.501 -10.842 1.00 1.91 O ATOM 0 H ASP A 94 -11.801 -4.917 -10.651 1.00 0.83 H new ATOM 0 HA ASP A 94 -14.021 -6.541 -9.664 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -13.658 -4.799 -12.128 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -15.102 -5.739 -11.805 1.00 1.54 H new TER 1393 ASP A 94 HETATM 1394 ZN ZN A 101 6.833 -4.924 -6.911 1.00 0.35 ZN HETATM 1395 ZN ZN A 102 4.102 2.436 4.851 1.00 0.29 ZN HETATM 1396 ZN ZN A 103 -8.656 11.393 -0.981 1.00 0.26 ZN HETATM 1397 ZN ZN A 104 -6.858 -2.730 -4.482 1.00 0.27 ZN