USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 597 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 32 HIS HD1 : A 32 HIS ND1 : A 86 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.0918 K(o=0.092,f=-2.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -64:sc= 0.354 USER MOD Single : A 16 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= 1.05 (180deg=-0.874) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.421 (180deg=-0.454) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0249) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.185 (180deg=-1.09) USER MOD Single : A 44 SER OG : rot 17:sc= 0.0859 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0641 USER MOD Single : A 49 THR OG1 : rot -170:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 0.032 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.71 X(o=-1.7,f=-2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.4) USER MOD Single : A 83 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.11) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.165 3.711 -17.762 1.00 0.00 N ATOM 2 CA MET A 1 -16.705 3.209 -16.456 1.00 0.00 C ATOM 3 C MET A 1 -17.483 3.888 -15.339 1.00 0.00 C ATOM 4 O MET A 1 -16.992 4.813 -14.693 1.00 0.00 O ATOM 5 CB MET A 1 -15.199 3.399 -16.313 1.00 0.00 C ATOM 6 CG MET A 1 -14.510 2.113 -15.957 1.00 0.00 C ATOM 7 SD MET A 1 -14.703 1.821 -14.163 1.00 0.00 S ATOM 8 CE MET A 1 -13.043 2.224 -13.600 1.00 0.00 C ATOM 0 H1 MET A 1 -16.630 3.244 -18.522 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.178 3.506 -17.875 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.012 4.738 -17.812 1.00 0.00 H new ATOM 0 HA MET A 1 -16.898 2.138 -16.387 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.790 3.785 -17.247 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.997 4.145 -15.544 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.939 1.286 -16.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.453 2.165 -16.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.985 2.098 -12.519 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.324 1.561 -14.082 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.812 3.258 -13.858 1.00 0.00 H new ATOM 20 N ALA A 2 -18.720 3.441 -15.148 1.00 0.00 N ATOM 21 CA ALA A 2 -19.526 3.874 -14.013 1.00 0.00 C ATOM 22 C ALA A 2 -19.943 2.671 -13.171 1.00 0.00 C ATOM 23 O ALA A 2 -19.820 1.527 -13.604 1.00 0.00 O ATOM 24 CB ALA A 2 -20.745 4.653 -14.498 1.00 0.00 C ATOM 0 H ALA A 2 -19.187 2.778 -15.766 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.928 4.535 -13.386 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.339 4.971 -13.641 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.418 5.529 -15.058 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.351 4.016 -15.143 1.00 0.00 H new ATOM 30 N GLN A 3 -20.585 2.962 -12.044 1.00 0.00 N ATOM 31 CA GLN A 3 -21.241 1.938 -11.244 1.00 0.00 C ATOM 32 C GLN A 3 -22.347 1.262 -12.048 1.00 0.00 C ATOM 33 O GLN A 3 -23.442 1.804 -12.192 1.00 0.00 O ATOM 34 CB GLN A 3 -21.779 2.479 -9.917 1.00 0.00 C ATOM 35 CG GLN A 3 -22.651 3.710 -10.068 1.00 0.00 C ATOM 36 CD GLN A 3 -21.986 4.971 -9.572 1.00 0.00 C ATOM 37 OE1 GLN A 3 -20.859 5.298 -9.933 1.00 0.00 O ATOM 38 NE2 GLN A 3 -22.687 5.666 -8.678 1.00 0.00 N ATOM 0 H GLN A 3 -20.664 3.905 -11.664 1.00 0.00 H new ATOM 0 HA GLN A 3 -20.484 1.196 -10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -22.354 1.696 -9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -20.939 2.718 -9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -22.915 3.834 -11.118 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -23.582 3.558 -9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -23.620 5.355 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -22.290 6.509 -8.263 1.00 0.00 H new ATOM 47 N LYS A 4 -21.990 0.154 -12.687 1.00 0.00 N ATOM 48 CA LYS A 4 -22.857 -0.483 -13.670 1.00 0.00 C ATOM 49 C LYS A 4 -24.161 -0.931 -13.016 1.00 0.00 C ATOM 50 O LYS A 4 -25.225 -0.873 -13.631 1.00 0.00 O ATOM 51 CB LYS A 4 -22.185 -1.695 -14.320 1.00 0.00 C ATOM 52 CG LYS A 4 -20.886 -1.363 -15.056 1.00 0.00 C ATOM 53 CD LYS A 4 -21.117 -0.701 -16.401 1.00 0.00 C ATOM 54 CE LYS A 4 -20.418 -1.335 -17.531 1.00 0.00 C ATOM 55 NZ LYS A 4 -21.220 -1.257 -18.778 1.00 0.00 N ATOM 0 H LYS A 4 -21.101 -0.324 -12.540 1.00 0.00 H new ATOM 0 HA LYS A 4 -23.062 0.257 -14.444 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.975 -2.438 -13.550 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -22.882 -2.152 -15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.280 -0.705 -14.433 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.314 -2.279 -15.202 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -22.187 -0.698 -16.610 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.802 0.341 -16.336 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.455 -0.847 -17.685 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.212 -2.379 -17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.699 -1.713 -19.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.128 -1.744 -18.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.395 -0.260 -19.017 1.00 0.00 H new ATOM 69 N VAL A 5 -24.032 -1.508 -11.827 1.00 0.00 N ATOM 70 CA VAL A 5 -25.148 -2.171 -11.166 1.00 0.00 C ATOM 71 C VAL A 5 -25.223 -1.753 -9.700 1.00 0.00 C ATOM 72 O VAL A 5 -25.949 -2.354 -8.911 1.00 0.00 O ATOM 73 CB VAL A 5 -25.059 -3.699 -11.362 1.00 0.00 C ATOM 74 CG1 VAL A 5 -25.601 -4.146 -12.715 1.00 0.00 C ATOM 75 CG2 VAL A 5 -23.643 -4.209 -11.149 1.00 0.00 C ATOM 0 H VAL A 5 -23.160 -1.529 -11.299 1.00 0.00 H new ATOM 0 HA VAL A 5 -26.085 -1.855 -11.625 1.00 0.00 H new ATOM 0 HB VAL A 5 -25.697 -4.144 -10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -25.515 -5.229 -12.802 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -26.649 -3.857 -12.801 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -25.028 -3.672 -13.511 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -23.619 -5.289 -11.295 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -22.973 -3.731 -11.864 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -23.320 -3.973 -10.135 1.00 0.00 H new ATOM 85 N GLY A 6 -24.568 -0.640 -9.390 1.00 0.00 N ATOM 86 CA GLY A 6 -24.737 0.020 -8.101 1.00 0.00 C ATOM 87 C GLY A 6 -24.317 -0.911 -6.967 1.00 0.00 C ATOM 88 O GLY A 6 -24.769 -0.764 -5.833 1.00 0.00 O ATOM 0 H GLY A 6 -23.912 -0.174 -10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -24.140 0.932 -8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -25.778 0.316 -7.970 1.00 0.00 H new ATOM 92 N GLY A 7 -23.568 -1.947 -7.328 1.00 0.00 N ATOM 93 CA GLY A 7 -23.272 -3.040 -6.415 1.00 0.00 C ATOM 94 C GLY A 7 -22.199 -3.951 -7.003 1.00 0.00 C ATOM 95 O GLY A 7 -22.163 -5.147 -6.720 1.00 0.00 O ATOM 0 H GLY A 7 -23.153 -2.051 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.935 -2.641 -5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.178 -3.614 -6.220 1.00 0.00 H new ATOM 99 N SER A 8 -21.251 -3.336 -7.703 1.00 0.00 N ATOM 100 CA SER A 8 -20.042 -4.024 -8.133 1.00 0.00 C ATOM 101 C SER A 8 -18.863 -3.057 -8.164 1.00 0.00 C ATOM 102 O SER A 8 -19.032 -1.849 -8.016 1.00 0.00 O ATOM 103 CB SER A 8 -20.235 -4.703 -9.483 1.00 0.00 C ATOM 104 OG SER A 8 -19.924 -6.083 -9.419 1.00 0.00 O ATOM 0 H SER A 8 -21.299 -2.357 -7.985 1.00 0.00 H new ATOM 0 HA SER A 8 -19.824 -4.808 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.267 -4.576 -9.811 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.602 -4.221 -10.228 1.00 0.00 H new ATOM 0 HG SER A 8 -18.972 -6.195 -9.217 1.00 0.00 H new ATOM 110 N ASP A 9 -17.661 -3.628 -8.190 1.00 0.00 N ATOM 111 CA ASP A 9 -16.446 -2.837 -8.337 1.00 0.00 C ATOM 112 C ASP A 9 -15.320 -3.700 -8.903 1.00 0.00 C ATOM 113 O ASP A 9 -15.230 -4.890 -8.602 1.00 0.00 O ATOM 114 CB ASP A 9 -16.086 -2.109 -7.045 1.00 0.00 C ATOM 115 CG ASP A 9 -16.165 -0.599 -7.163 1.00 0.00 C ATOM 116 OD1 ASP A 9 -17.289 -0.087 -6.970 1.00 0.00 O ATOM 117 OD2 ASP A 9 -15.149 0.073 -7.393 1.00 0.00 O ATOM 0 H ASP A 9 -17.504 -4.633 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.621 -2.043 -9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.756 -2.440 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.076 -2.391 -6.747 1.00 0.00 H new ATOM 122 N GLY A 10 -14.583 -3.130 -9.852 1.00 0.00 N ATOM 123 CA GLY A 10 -13.733 -3.915 -10.741 1.00 0.00 C ATOM 124 C GLY A 10 -12.267 -3.554 -10.537 1.00 0.00 C ATOM 125 O GLY A 10 -11.939 -2.638 -9.785 1.00 0.00 O ATOM 0 H GLY A 10 -14.558 -2.125 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.881 -4.978 -10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.017 -3.734 -11.778 1.00 0.00 H new ATOM 129 N CYS A 11 -11.391 -4.334 -11.165 1.00 0.00 N ATOM 130 CA CYS A 11 -9.967 -4.287 -10.863 1.00 0.00 C ATOM 131 C CYS A 11 -9.172 -3.995 -12.155 1.00 0.00 C ATOM 132 O CYS A 11 -8.768 -4.919 -12.881 1.00 0.00 O ATOM 133 CB CYS A 11 -9.494 -5.586 -10.221 1.00 0.00 C ATOM 134 SG CYS A 11 -7.920 -5.458 -9.337 1.00 0.00 S ATOM 0 H CYS A 11 -11.645 -5.007 -11.888 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.791 -3.485 -10.146 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.259 -5.932 -9.526 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.400 -6.346 -10.996 1.00 0.00 H new ATOM 139 N PRO A 12 -8.755 -2.723 -12.292 1.00 0.00 N ATOM 140 CA PRO A 12 -7.760 -2.306 -13.313 1.00 0.00 C ATOM 141 C PRO A 12 -6.410 -3.007 -13.169 1.00 0.00 C ATOM 142 O PRO A 12 -5.527 -2.844 -14.008 1.00 0.00 O ATOM 143 CB PRO A 12 -7.653 -0.790 -13.223 1.00 0.00 C ATOM 144 CG PRO A 12 -8.590 -0.299 -12.160 1.00 0.00 C ATOM 145 CD PRO A 12 -9.091 -1.544 -11.439 1.00 0.00 C ATOM 0 HA PRO A 12 -8.095 -2.608 -14.305 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.630 -0.498 -12.988 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.901 -0.337 -14.183 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.080 0.374 -11.470 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.418 0.260 -12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.623 -1.634 -10.459 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.167 -1.485 -11.274 1.00 0.00 H new ATOM 153 N ARG A 13 -6.218 -3.643 -12.018 1.00 0.00 N ATOM 154 CA ARG A 13 -4.904 -4.121 -11.612 1.00 0.00 C ATOM 155 C ARG A 13 -4.577 -5.437 -12.310 1.00 0.00 C ATOM 156 O ARG A 13 -3.506 -5.588 -12.897 1.00 0.00 O ATOM 157 CB ARG A 13 -4.811 -4.302 -10.091 1.00 0.00 C ATOM 158 CG ARG A 13 -3.589 -3.662 -9.449 1.00 0.00 C ATOM 159 CD ARG A 13 -3.526 -2.197 -9.724 1.00 0.00 C ATOM 160 NE ARG A 13 -2.158 -1.700 -9.742 1.00 0.00 N ATOM 161 CZ ARG A 13 -1.416 -1.639 -10.850 1.00 0.00 C ATOM 162 NH1 ARG A 13 -1.945 -1.848 -12.053 1.00 0.00 N ATOM 163 NH2 ARG A 13 -0.128 -1.309 -10.753 1.00 0.00 N ATOM 0 H ARG A 13 -6.961 -3.839 -11.348 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.177 -3.365 -11.907 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.707 -3.883 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.807 -5.368 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.614 -3.830 -8.372 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.686 -4.142 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.999 -1.988 -10.683 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.096 -1.661 -8.964 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.746 -1.383 -8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.939 -2.060 -12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.357 -1.796 -12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.279 -1.107 -9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.450 -1.259 -11.592 1.00 0.00 H new ATOM 177 N CYS A 14 -5.396 -6.446 -12.019 1.00 0.00 N ATOM 178 CA CYS A 14 -5.205 -7.773 -12.585 1.00 0.00 C ATOM 179 C CYS A 14 -5.989 -7.917 -13.885 1.00 0.00 C ATOM 180 O CYS A 14 -5.680 -8.765 -14.720 1.00 0.00 O ATOM 181 CB CYS A 14 -5.563 -8.866 -11.582 1.00 0.00 C ATOM 182 SG CYS A 14 -7.229 -8.744 -10.888 1.00 0.00 S ATOM 0 H CYS A 14 -6.198 -6.366 -11.394 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.147 -7.895 -12.818 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.458 -9.835 -12.069 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.842 -8.840 -10.765 1.00 0.00 H new ATOM 187 N GLY A 15 -7.051 -7.127 -14.001 1.00 0.00 N ATOM 188 CA GLY A 15 -7.826 -7.061 -15.231 1.00 0.00 C ATOM 189 C GLY A 15 -9.109 -7.876 -15.097 1.00 0.00 C ATOM 190 O GLY A 15 -9.794 -8.139 -16.083 1.00 0.00 O ATOM 0 H GLY A 15 -7.394 -6.522 -13.255 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.069 -6.023 -15.460 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.232 -7.440 -16.063 1.00 0.00 H new ATOM 194 N GLN A 16 -9.481 -8.152 -13.852 1.00 0.00 N ATOM 195 CA GLN A 16 -10.794 -8.702 -13.544 1.00 0.00 C ATOM 196 C GLN A 16 -11.720 -7.605 -13.026 1.00 0.00 C ATOM 197 O GLN A 16 -11.267 -6.526 -12.648 1.00 0.00 O ATOM 198 CB GLN A 16 -10.729 -9.875 -12.563 1.00 0.00 C ATOM 199 CG GLN A 16 -11.097 -11.210 -13.179 1.00 0.00 C ATOM 200 CD GLN A 16 -10.453 -12.383 -12.480 1.00 0.00 C ATOM 201 OE1 GLN A 16 -10.036 -13.359 -13.097 1.00 0.00 O ATOM 202 NE2 GLN A 16 -10.353 -12.268 -11.158 1.00 0.00 N ATOM 0 H GLN A 16 -8.887 -8.002 -13.036 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.201 -9.101 -14.473 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.720 -9.940 -12.155 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.399 -9.674 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.180 -11.329 -13.153 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.801 -11.213 -14.228 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.715 -11.437 -10.690 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.915 -13.011 -10.613 1.00 0.00 H new ATOM 211 N ALA A 17 -12.995 -7.954 -12.883 1.00 0.00 N ATOM 212 CA ALA A 17 -13.943 -7.123 -12.151 1.00 0.00 C ATOM 213 C ALA A 17 -14.707 -7.967 -11.134 1.00 0.00 C ATOM 214 O ALA A 17 -14.827 -9.181 -11.289 1.00 0.00 O ATOM 215 CB ALA A 17 -14.898 -6.434 -13.119 1.00 0.00 C ATOM 0 H ALA A 17 -13.396 -8.810 -13.266 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.395 -6.352 -11.610 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.601 -5.817 -12.559 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.330 -5.806 -13.805 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -15.447 -7.186 -13.685 1.00 0.00 H new ATOM 221 N VAL A 18 -15.059 -7.336 -10.019 1.00 0.00 N ATOM 222 CA VAL A 18 -15.505 -8.056 -8.832 1.00 0.00 C ATOM 223 C VAL A 18 -17.015 -7.905 -8.662 1.00 0.00 C ATOM 224 O VAL A 18 -17.538 -6.789 -8.666 1.00 0.00 O ATOM 225 CB VAL A 18 -14.706 -7.620 -7.589 1.00 0.00 C ATOM 226 CG1 VAL A 18 -14.871 -8.588 -6.421 1.00 0.00 C ATOM 227 CG2 VAL A 18 -13.234 -7.403 -7.903 1.00 0.00 C ATOM 0 H VAL A 18 -15.044 -6.322 -9.913 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.305 -9.120 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.128 -6.663 -7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.288 -8.235 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.923 -8.645 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -14.520 -9.577 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.710 -7.097 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.801 -8.331 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.134 -6.625 -8.660 1.00 0.00 H new ATOM 237 N TYR A 19 -17.645 -8.996 -8.234 1.00 0.00 N ATOM 238 CA TYR A 19 -19.097 -9.036 -8.118 1.00 0.00 C ATOM 239 C TYR A 19 -19.506 -9.433 -6.703 1.00 0.00 C ATOM 240 O TYR A 19 -20.477 -8.912 -6.158 1.00 0.00 O ATOM 241 CB TYR A 19 -19.710 -9.998 -9.157 1.00 0.00 C ATOM 242 CG TYR A 19 -21.210 -9.895 -9.291 1.00 0.00 C ATOM 243 CD1 TYR A 19 -21.802 -8.707 -9.722 1.00 0.00 C ATOM 244 CD2 TYR A 19 -22.042 -10.989 -9.039 1.00 0.00 C ATOM 245 CE1 TYR A 19 -23.180 -8.598 -9.878 1.00 0.00 C ATOM 246 CE2 TYR A 19 -23.424 -10.900 -9.200 1.00 0.00 C ATOM 247 CZ TYR A 19 -23.989 -9.690 -9.598 1.00 0.00 C ATOM 248 OH TYR A 19 -25.343 -9.529 -9.707 1.00 0.00 O ATOM 0 H TYR A 19 -17.174 -9.859 -7.963 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.483 -8.037 -8.322 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -19.256 -9.802 -10.128 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -19.451 -11.021 -8.885 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.177 -7.854 -9.939 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.606 -11.922 -8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -23.617 -7.670 -10.215 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -24.051 -11.761 -9.018 1.00 0.00 H new ATOM 0 HH TYR A 19 -25.792 -10.371 -9.484 1.00 0.00 H new ATOM 258 N ALA A 20 -18.674 -10.262 -6.082 1.00 0.00 N ATOM 259 CA ALA A 20 -18.809 -10.571 -4.664 1.00 0.00 C ATOM 260 C ALA A 20 -17.925 -9.645 -3.833 1.00 0.00 C ATOM 261 O ALA A 20 -17.730 -9.869 -2.639 1.00 0.00 O ATOM 262 CB ALA A 20 -18.465 -12.035 -4.406 1.00 0.00 C ATOM 0 H ALA A 20 -17.895 -10.734 -6.542 1.00 0.00 H new ATOM 0 HA ALA A 20 -19.844 -10.409 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -18.570 -12.252 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.141 -12.673 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -17.438 -12.227 -4.716 1.00 0.00 H new ATOM 268 N ALA A 21 -17.529 -8.533 -4.443 1.00 0.00 N ATOM 269 CA ALA A 21 -16.927 -7.425 -3.711 1.00 0.00 C ATOM 270 C ALA A 21 -15.637 -7.878 -3.032 1.00 0.00 C ATOM 271 O ALA A 21 -15.658 -8.340 -1.892 1.00 0.00 O ATOM 272 CB ALA A 21 -17.916 -6.867 -2.692 1.00 0.00 C ATOM 0 H ALA A 21 -17.615 -8.375 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.678 -6.630 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -17.454 -6.040 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -18.808 -6.511 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.193 -7.651 -1.987 1.00 0.00 H new ATOM 278 N GLU A 22 -14.516 -7.591 -3.684 1.00 0.00 N ATOM 279 CA GLU A 22 -13.211 -7.632 -3.024 1.00 0.00 C ATOM 280 C GLU A 22 -12.496 -6.292 -3.215 1.00 0.00 C ATOM 281 O GLU A 22 -11.273 -6.246 -3.332 1.00 0.00 O ATOM 282 CB GLU A 22 -12.421 -8.782 -3.628 1.00 0.00 C ATOM 283 CG GLU A 22 -11.862 -9.783 -2.650 1.00 0.00 C ATOM 284 CD GLU A 22 -12.592 -11.088 -2.494 1.00 0.00 C ATOM 285 OE1 GLU A 22 -13.233 -11.619 -3.383 1.00 0.00 O ATOM 286 OE2 GLU A 22 -12.596 -11.482 -1.308 1.00 0.00 O ATOM 0 H GLU A 22 -14.482 -7.327 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.315 -7.794 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.066 -9.311 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.595 -8.366 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.837 -10.005 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.815 -9.306 -1.671 1.00 0.00 H new ATOM 293 N LYS A 23 -13.291 -5.253 -3.453 1.00 0.00 N ATOM 294 CA LYS A 23 -12.789 -4.016 -4.039 1.00 0.00 C ATOM 295 C LYS A 23 -12.431 -3.016 -2.941 1.00 0.00 C ATOM 296 O LYS A 23 -13.316 -2.451 -2.297 1.00 0.00 O ATOM 297 CB LYS A 23 -13.814 -3.376 -4.977 1.00 0.00 C ATOM 298 CG LYS A 23 -15.195 -3.187 -4.350 1.00 0.00 C ATOM 299 CD LYS A 23 -15.473 -1.752 -3.941 1.00 0.00 C ATOM 300 CE LYS A 23 -16.381 -1.600 -2.793 1.00 0.00 C ATOM 301 NZ LYS A 23 -15.792 -2.171 -1.555 1.00 0.00 N ATOM 0 H LYS A 23 -14.290 -5.244 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.901 -4.272 -4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.438 -2.406 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.912 -3.995 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.957 -3.510 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.281 -3.831 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.526 -1.267 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.897 -1.222 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.601 -0.544 -2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.328 -2.095 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.352 -2.993 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.813 -2.469 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.797 -1.451 -0.804 1.00 0.00 H new ATOM 315 N VAL A 24 -11.152 -2.656 -2.885 1.00 0.00 N ATOM 316 CA VAL A 24 -10.726 -1.422 -2.227 1.00 0.00 C ATOM 317 C VAL A 24 -10.912 -0.239 -3.179 1.00 0.00 C ATOM 318 O VAL A 24 -11.148 -0.439 -4.373 1.00 0.00 O ATOM 319 CB VAL A 24 -9.283 -1.562 -1.706 1.00 0.00 C ATOM 320 CG1 VAL A 24 -9.186 -2.466 -0.482 1.00 0.00 C ATOM 321 CG2 VAL A 24 -8.334 -2.029 -2.799 1.00 0.00 C ATOM 0 H VAL A 24 -10.390 -3.202 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.349 -1.230 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.976 -0.564 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.147 -2.529 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.794 -2.054 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.548 -3.462 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.326 -2.116 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.659 -3.000 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.335 -1.307 -3.615 1.00 0.00 H new ATOM 331 N ILE A 25 -10.493 0.932 -2.709 1.00 0.00 N ATOM 332 CA ILE A 25 -10.373 2.108 -3.557 1.00 0.00 C ATOM 333 C ILE A 25 -9.151 2.931 -3.159 1.00 0.00 C ATOM 334 O ILE A 25 -8.949 3.229 -1.983 1.00 0.00 O ATOM 335 CB ILE A 25 -11.696 2.963 -3.497 1.00 0.00 C ATOM 336 CG1 ILE A 25 -12.145 3.099 -2.019 1.00 0.00 C ATOM 337 CG2 ILE A 25 -12.816 2.393 -4.395 1.00 0.00 C ATOM 338 CD1 ILE A 25 -12.884 4.420 -1.694 1.00 0.00 C ATOM 0 H ILE A 25 -10.229 1.090 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.231 1.788 -4.589 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.485 3.954 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.797 2.262 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.268 3.020 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.703 3.022 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.478 2.375 -5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.059 1.380 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.162 4.432 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.229 5.265 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.782 4.495 -2.307 1.00 0.00 H new ATOM 350 N GLY A 26 -8.436 3.413 -4.170 1.00 0.00 N ATOM 351 CA GLY A 26 -7.400 4.418 -3.971 1.00 0.00 C ATOM 352 C GLY A 26 -7.636 5.614 -4.885 1.00 0.00 C ATOM 353 O GLY A 26 -8.760 6.095 -5.020 1.00 0.00 O ATOM 0 H GLY A 26 -8.557 3.122 -5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.395 4.743 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.421 3.985 -4.174 1.00 0.00 H new ATOM 357 N ALA A 27 -6.548 6.128 -5.448 1.00 0.00 N ATOM 358 CA ALA A 27 -6.577 7.399 -6.159 1.00 0.00 C ATOM 359 C ALA A 27 -7.419 7.277 -7.426 1.00 0.00 C ATOM 360 O ALA A 27 -6.914 6.892 -8.481 1.00 0.00 O ATOM 361 CB ALA A 27 -5.159 7.856 -6.485 1.00 0.00 C ATOM 0 H ALA A 27 -5.632 5.681 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.036 8.152 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.196 8.807 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.595 7.979 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.671 7.109 -7.112 1.00 0.00 H new ATOM 367 N GLY A 28 -8.728 7.424 -7.254 1.00 0.00 N ATOM 368 CA GLY A 28 -9.684 7.147 -8.315 1.00 0.00 C ATOM 369 C GLY A 28 -9.593 5.690 -8.753 1.00 0.00 C ATOM 370 O GLY A 28 -10.009 5.332 -9.853 1.00 0.00 O ATOM 0 H GLY A 28 -9.152 7.736 -6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.694 7.365 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.491 7.801 -9.166 1.00 0.00 H new ATOM 374 N LYS A 29 -9.013 4.869 -7.886 1.00 0.00 N ATOM 375 CA LYS A 29 -8.681 3.493 -8.235 1.00 0.00 C ATOM 376 C LYS A 29 -9.591 2.522 -7.488 1.00 0.00 C ATOM 377 O LYS A 29 -10.228 2.885 -6.501 1.00 0.00 O ATOM 378 CB LYS A 29 -7.224 3.158 -7.911 1.00 0.00 C ATOM 379 CG LYS A 29 -6.238 3.562 -9.008 1.00 0.00 C ATOM 380 CD LYS A 29 -5.350 2.417 -9.460 1.00 0.00 C ATOM 381 CE LYS A 29 -4.959 2.459 -10.878 1.00 0.00 C ATOM 382 NZ LYS A 29 -6.015 1.884 -11.750 1.00 0.00 N ATOM 0 H LYS A 29 -8.762 5.133 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.828 3.392 -9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.944 3.656 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.138 2.086 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.793 3.944 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.613 4.377 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.447 2.414 -8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.868 1.477 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.764 3.490 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.030 1.906 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.815 2.124 -12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.031 0.850 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.940 2.275 -11.479 1.00 0.00 H new ATOM 396 N SER A 30 -9.553 1.263 -7.910 1.00 0.00 N ATOM 397 CA SER A 30 -10.124 0.171 -7.131 1.00 0.00 C ATOM 398 C SER A 30 -9.339 -1.116 -7.376 1.00 0.00 C ATOM 399 O SER A 30 -8.660 -1.249 -8.393 1.00 0.00 O ATOM 400 CB SER A 30 -11.603 -0.019 -7.433 1.00 0.00 C ATOM 401 OG SER A 30 -11.971 0.611 -8.648 1.00 0.00 O ATOM 0 H SER A 30 -9.130 0.973 -8.792 1.00 0.00 H new ATOM 0 HA SER A 30 -10.045 0.429 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.830 -1.084 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.198 0.389 -6.616 1.00 0.00 H new ATOM 0 HG SER A 30 -12.926 0.469 -8.814 1.00 0.00 H new ATOM 407 N TRP A 31 -9.271 -1.949 -6.341 1.00 0.00 N ATOM 408 CA TRP A 31 -8.315 -3.046 -6.293 1.00 0.00 C ATOM 409 C TRP A 31 -8.951 -4.261 -5.605 1.00 0.00 C ATOM 410 O TRP A 31 -9.689 -4.095 -4.631 1.00 0.00 O ATOM 411 CB TRP A 31 -6.999 -2.642 -5.644 1.00 0.00 C ATOM 412 CG TRP A 31 -6.660 -1.192 -5.691 1.00 0.00 C ATOM 413 CD1 TRP A 31 -7.437 -0.151 -5.233 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.345 -0.637 -5.875 1.00 0.00 C ATOM 415 NE1 TRP A 31 -6.755 1.036 -5.371 1.00 0.00 N ATOM 416 CE2 TRP A 31 -5.461 0.764 -5.717 1.00 0.00 C ATOM 417 CE3 TRP A 31 -4.109 -1.190 -6.191 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -4.388 1.621 -5.911 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -3.031 -0.341 -6.340 1.00 0.00 C ATOM 420 CH2 TRP A 31 -3.171 1.041 -6.235 1.00 0.00 C ATOM 0 H TRP A 31 -9.872 -1.882 -5.520 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.064 -3.322 -7.317 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.022 -2.955 -4.600 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.195 -3.198 -6.126 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.433 -0.251 -4.826 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.150 1.967 -5.237 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -3.995 -2.257 -6.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -4.495 2.691 -5.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.056 -0.758 -6.543 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.314 1.674 -6.410 1.00 0.00 H new ATOM 431 N HIS A 32 -8.385 -5.428 -5.894 1.00 0.00 N ATOM 432 CA HIS A 32 -8.583 -6.614 -5.068 1.00 0.00 C ATOM 433 C HIS A 32 -7.703 -6.535 -3.821 1.00 0.00 C ATOM 434 O HIS A 32 -6.556 -6.094 -3.893 1.00 0.00 O ATOM 435 CB HIS A 32 -8.284 -7.942 -5.807 1.00 0.00 C ATOM 436 CG HIS A 32 -9.261 -8.216 -6.916 1.00 0.00 C ATOM 437 ND1 HIS A 32 -8.918 -8.239 -8.246 1.00 0.00 N ATOM 438 CD2 HIS A 32 -10.511 -8.744 -6.842 1.00 0.00 C ATOM 439 CE1 HIS A 32 -9.960 -8.656 -8.951 1.00 0.00 C ATOM 440 NE2 HIS A 32 -10.931 -8.978 -8.123 1.00 0.00 N ATOM 0 H HIS A 32 -7.780 -5.578 -6.701 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.640 -6.623 -4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.275 -7.907 -6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.310 -8.765 -5.093 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.070 -8.942 -5.939 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.005 -8.721 -10.028 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -11.845 -9.342 -8.392 1.00 0.00 H new ATOM 448 N LYS A 33 -8.148 -7.237 -2.781 1.00 0.00 N ATOM 449 CA LYS A 33 -7.366 -7.393 -1.564 1.00 0.00 C ATOM 450 C LYS A 33 -6.042 -8.089 -1.865 1.00 0.00 C ATOM 451 O LYS A 33 -5.013 -7.766 -1.272 1.00 0.00 O ATOM 452 CB LYS A 33 -8.118 -8.195 -0.501 1.00 0.00 C ATOM 453 CG LYS A 33 -8.486 -9.614 -0.940 1.00 0.00 C ATOM 454 CD LYS A 33 -7.507 -10.663 -0.444 1.00 0.00 C ATOM 455 CE LYS A 33 -7.617 -10.984 0.988 1.00 0.00 C ATOM 456 NZ LYS A 33 -7.887 -12.428 1.202 1.00 0.00 N ATOM 0 H LYS A 33 -9.052 -7.708 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.181 -6.391 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.505 -8.251 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.029 -7.660 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.484 -9.854 -0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.529 -9.652 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.654 -11.577 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.493 -10.318 -0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.694 -10.706 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.417 -10.393 1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.959 -12.620 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.781 -12.687 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.111 -12.990 0.797 1.00 0.00 H new ATOM 470 N SER A 34 -6.035 -8.828 -2.974 1.00 0.00 N ATOM 471 CA SER A 34 -4.865 -9.603 -3.362 1.00 0.00 C ATOM 472 C SER A 34 -3.879 -8.727 -4.130 1.00 0.00 C ATOM 473 O SER A 34 -2.694 -9.047 -4.223 1.00 0.00 O ATOM 474 CB SER A 34 -5.251 -10.835 -4.170 1.00 0.00 C ATOM 475 OG SER A 34 -4.215 -11.801 -4.171 1.00 0.00 O ATOM 0 H SER A 34 -6.825 -8.904 -3.615 1.00 0.00 H new ATOM 0 HA SER A 34 -4.378 -9.955 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.158 -11.274 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.478 -10.543 -5.195 1.00 0.00 H new ATOM 0 HG SER A 34 -4.494 -12.580 -4.696 1.00 0.00 H new ATOM 481 N CYS A 35 -4.421 -7.727 -4.817 1.00 0.00 N ATOM 482 CA CYS A 35 -3.664 -6.963 -5.798 1.00 0.00 C ATOM 483 C CYS A 35 -3.094 -5.698 -5.164 1.00 0.00 C ATOM 484 O CYS A 35 -2.797 -4.726 -5.858 1.00 0.00 O ATOM 485 CB CYS A 35 -4.519 -6.637 -7.022 1.00 0.00 C ATOM 486 SG CYS A 35 -5.119 -8.087 -7.920 1.00 0.00 S ATOM 0 H CYS A 35 -5.390 -7.426 -4.710 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.829 -7.575 -6.139 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.375 -6.041 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.935 -6.018 -7.704 1.00 0.00 H new ATOM 491 N PHE A 36 -3.086 -5.677 -3.836 1.00 0.00 N ATOM 492 CA PHE A 36 -2.842 -4.452 -3.085 1.00 0.00 C ATOM 493 C PHE A 36 -1.401 -4.410 -2.590 1.00 0.00 C ATOM 494 O PHE A 36 -1.058 -5.020 -1.580 1.00 0.00 O ATOM 495 CB PHE A 36 -3.797 -4.263 -1.879 1.00 0.00 C ATOM 496 CG PHE A 36 -4.097 -2.814 -1.613 1.00 0.00 C ATOM 497 CD1 PHE A 36 -3.110 -1.832 -1.543 1.00 0.00 C ATOM 498 CD2 PHE A 36 -5.443 -2.437 -1.586 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.455 -0.494 -1.323 1.00 0.00 C ATOM 500 CE2 PHE A 36 -5.808 -1.108 -1.439 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.814 -0.136 -1.293 1.00 0.00 C ATOM 0 H PHE A 36 -3.247 -6.500 -3.255 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.033 -3.635 -3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.729 -4.796 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.350 -4.709 -0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.072 -2.106 -1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.209 -3.192 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.688 0.253 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.851 -0.826 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.092 0.898 -1.156 1.00 0.00 H new ATOM 511 N ARG A 37 -0.577 -3.636 -3.290 1.00 0.00 N ATOM 512 CA ARG A 37 0.868 -3.693 -3.097 1.00 0.00 C ATOM 513 C ARG A 37 1.414 -2.305 -2.773 1.00 0.00 C ATOM 514 O ARG A 37 1.381 -1.405 -3.611 1.00 0.00 O ATOM 515 CB ARG A 37 1.581 -4.256 -4.333 1.00 0.00 C ATOM 516 CG ARG A 37 1.245 -5.705 -4.653 1.00 0.00 C ATOM 517 CD ARG A 37 0.785 -5.865 -6.063 1.00 0.00 C ATOM 518 NE ARG A 37 1.852 -5.612 -7.020 1.00 0.00 N ATOM 519 CZ ARG A 37 1.663 -5.601 -8.341 1.00 0.00 C ATOM 520 NH1 ARG A 37 0.521 -6.015 -8.884 1.00 0.00 N ATOM 521 NH2 ARG A 37 2.660 -5.216 -9.139 1.00 0.00 N ATOM 0 H ARG A 37 -0.884 -2.964 -3.994 1.00 0.00 H new ATOM 0 HA ARG A 37 1.062 -4.364 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.327 -3.639 -5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.658 -4.170 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.123 -6.328 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.468 -6.057 -3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.402 -6.876 -6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.042 -5.181 -6.254 1.00 0.00 H new ATOM 0 HE ARG A 37 2.791 -5.434 -6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.235 -6.351 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.402 -5.996 -9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.555 -4.934 -8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.528 -5.203 -10.150 1.00 0.00 H new ATOM 535 N CYS A 38 2.119 -2.226 -1.648 1.00 0.00 N ATOM 536 CA CYS A 38 2.884 -1.045 -1.291 1.00 0.00 C ATOM 537 C CYS A 38 4.018 -0.816 -2.296 1.00 0.00 C ATOM 538 O CYS A 38 5.140 -1.290 -2.070 1.00 0.00 O ATOM 539 CB CYS A 38 3.422 -1.148 0.134 1.00 0.00 C ATOM 540 SG CYS A 38 4.016 0.421 0.814 1.00 0.00 S ATOM 0 H CYS A 38 2.173 -2.979 -0.963 1.00 0.00 H new ATOM 0 HA CYS A 38 2.218 -0.183 -1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.636 -1.538 0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.237 -1.871 0.152 1.00 0.00 H new ATOM 545 N ALA A 39 3.843 0.245 -3.085 1.00 0.00 N ATOM 546 CA ALA A 39 4.886 0.727 -3.975 1.00 0.00 C ATOM 547 C ALA A 39 6.107 1.179 -3.172 1.00 0.00 C ATOM 548 O ALA A 39 7.161 1.456 -3.745 1.00 0.00 O ATOM 549 CB ALA A 39 4.358 1.865 -4.845 1.00 0.00 C ATOM 0 H ALA A 39 2.980 0.787 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 39 5.192 -0.090 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.151 2.215 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.519 1.507 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.027 2.686 -4.209 1.00 0.00 H new ATOM 555 N LYS A 40 5.842 1.547 -1.919 1.00 0.00 N ATOM 556 CA LYS A 40 6.835 2.197 -1.078 1.00 0.00 C ATOM 557 C LYS A 40 7.876 1.183 -0.605 1.00 0.00 C ATOM 558 O LYS A 40 9.054 1.295 -0.936 1.00 0.00 O ATOM 559 CB LYS A 40 6.203 2.866 0.143 1.00 0.00 C ATOM 560 CG LYS A 40 6.898 4.158 0.574 1.00 0.00 C ATOM 561 CD LYS A 40 6.583 4.553 2.005 1.00 0.00 C ATOM 562 CE LYS A 40 7.554 4.079 3.005 1.00 0.00 C ATOM 563 NZ LYS A 40 8.824 4.845 2.936 1.00 0.00 N ATOM 0 H LYS A 40 4.940 1.403 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 40 7.310 2.968 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.157 3.083 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.215 2.164 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.976 4.038 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.598 4.965 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.525 5.640 2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.597 4.167 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.125 4.172 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.757 3.020 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.419 4.606 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.328 4.603 2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.616 5.864 2.945 1.00 0.00 H new ATOM 577 N CYS A 41 7.456 0.348 0.343 1.00 0.00 N ATOM 578 CA CYS A 41 8.372 -0.521 1.063 1.00 0.00 C ATOM 579 C CYS A 41 8.569 -1.834 0.313 1.00 0.00 C ATOM 580 O CYS A 41 9.588 -2.506 0.475 1.00 0.00 O ATOM 581 CB CYS A 41 7.977 -0.708 2.515 1.00 0.00 C ATOM 582 SG CYS A 41 6.408 -1.532 2.833 1.00 0.00 S ATOM 0 H CYS A 41 6.481 0.258 0.628 1.00 0.00 H new ATOM 0 HA CYS A 41 9.343 -0.028 1.101 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.765 -1.276 3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.946 0.274 2.987 1.00 0.00 H new ATOM 587 N GLY A 42 7.718 -2.034 -0.695 1.00 0.00 N ATOM 588 CA GLY A 42 7.803 -3.213 -1.544 1.00 0.00 C ATOM 589 C GLY A 42 7.213 -4.425 -0.832 1.00 0.00 C ATOM 590 O GLY A 42 7.419 -5.565 -1.244 1.00 0.00 O ATOM 0 H GLY A 42 6.964 -1.392 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.269 -3.036 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.844 -3.407 -1.804 1.00 0.00 H new ATOM 594 N LYS A 43 6.436 -4.155 0.212 1.00 0.00 N ATOM 595 CA LYS A 43 5.589 -5.174 0.821 1.00 0.00 C ATOM 596 C LYS A 43 4.196 -5.142 0.204 1.00 0.00 C ATOM 597 O LYS A 43 3.507 -4.124 0.246 1.00 0.00 O ATOM 598 CB LYS A 43 5.471 -4.982 2.334 1.00 0.00 C ATOM 599 CG LYS A 43 6.780 -5.204 3.092 1.00 0.00 C ATOM 600 CD LYS A 43 6.855 -6.561 3.767 1.00 0.00 C ATOM 601 CE LYS A 43 7.145 -6.520 5.210 1.00 0.00 C ATOM 602 NZ LYS A 43 6.244 -5.576 5.918 1.00 0.00 N ATOM 0 H LYS A 43 6.375 -3.238 0.654 1.00 0.00 H new ATOM 0 HA LYS A 43 6.058 -6.139 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.113 -3.972 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.718 -5.670 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.615 -5.103 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.894 -4.424 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.908 -7.079 3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.625 -7.154 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.034 -7.518 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.182 -6.222 5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.053 -5.931 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.698 -4.642 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.349 -5.493 5.395 1.00 0.00 H new ATOM 616 N SER A 44 3.858 -6.218 -0.502 1.00 0.00 N ATOM 617 CA SER A 44 2.488 -6.422 -0.959 1.00 0.00 C ATOM 618 C SER A 44 1.653 -7.056 0.153 1.00 0.00 C ATOM 619 O SER A 44 2.060 -8.055 0.746 1.00 0.00 O ATOM 620 CB SER A 44 2.439 -7.256 -2.231 1.00 0.00 C ATOM 621 OG SER A 44 2.714 -8.620 -1.970 1.00 0.00 O ATOM 0 H SER A 44 4.509 -6.957 -0.768 1.00 0.00 H new ATOM 0 HA SER A 44 2.061 -5.449 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.454 -7.164 -2.690 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.162 -6.869 -2.949 1.00 0.00 H new ATOM 0 HG SER A 44 2.609 -8.797 -1.012 1.00 0.00 H new ATOM 627 N LEU A 45 0.661 -6.292 0.619 1.00 0.00 N ATOM 628 CA LEU A 45 -0.109 -6.647 1.781 1.00 0.00 C ATOM 629 C LEU A 45 -1.623 -6.558 1.486 1.00 0.00 C ATOM 630 O LEU A 45 -2.040 -6.844 0.364 1.00 0.00 O ATOM 631 CB LEU A 45 0.293 -5.796 2.985 1.00 0.00 C ATOM 632 CG LEU A 45 1.011 -4.481 2.715 1.00 0.00 C ATOM 633 CD1 LEU A 45 -0.082 -3.444 2.374 1.00 0.00 C ATOM 634 CD2 LEU A 45 1.756 -4.053 3.964 1.00 0.00 C ATOM 0 H LEU A 45 0.380 -5.411 0.189 1.00 0.00 H new ATOM 0 HA LEU A 45 0.110 -7.684 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.609 -5.574 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.934 -6.402 3.625 1.00 0.00 H new ATOM 0 HG LEU A 45 1.729 -4.575 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.383 -2.479 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.634 -3.773 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.767 -3.347 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.272 -3.112 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.048 -3.921 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.484 -4.818 4.233 1.00 0.00 H new ATOM 646 N GLU A 46 -2.371 -6.696 2.585 1.00 0.00 N ATOM 647 CA GLU A 46 -3.814 -6.828 2.519 1.00 0.00 C ATOM 648 C GLU A 46 -4.409 -6.791 3.935 1.00 0.00 C ATOM 649 O GLU A 46 -3.704 -7.105 4.898 1.00 0.00 O ATOM 650 CB GLU A 46 -4.146 -8.140 1.819 1.00 0.00 C ATOM 651 CG GLU A 46 -3.320 -9.329 2.229 1.00 0.00 C ATOM 652 CD GLU A 46 -3.841 -10.696 1.876 1.00 0.00 C ATOM 653 OE1 GLU A 46 -4.033 -10.818 0.647 1.00 0.00 O ATOM 654 OE2 GLU A 46 -4.205 -11.517 2.700 1.00 0.00 O ATOM 0 H GLU A 46 -1.991 -6.718 3.531 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.246 -6.001 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.196 -8.371 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.032 -7.996 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.331 -9.221 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.188 -9.289 3.310 1.00 0.00 H new ATOM 661 N SER A 47 -5.739 -6.831 3.973 1.00 0.00 N ATOM 662 CA SER A 47 -6.471 -7.010 5.216 1.00 0.00 C ATOM 663 C SER A 47 -6.286 -5.796 6.124 1.00 0.00 C ATOM 664 O SER A 47 -7.213 -5.011 6.318 1.00 0.00 O ATOM 665 CB SER A 47 -6.069 -8.296 5.928 1.00 0.00 C ATOM 666 OG SER A 47 -6.951 -8.595 6.994 1.00 0.00 O ATOM 0 H SER A 47 -6.332 -6.741 3.148 1.00 0.00 H new ATOM 0 HA SER A 47 -7.529 -7.098 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.064 -9.121 5.216 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.053 -8.199 6.311 1.00 0.00 H new ATOM 0 HG SER A 47 -6.668 -9.426 7.430 1.00 0.00 H new ATOM 672 N THR A 48 -5.037 -5.559 6.508 1.00 0.00 N ATOM 673 CA THR A 48 -4.642 -4.299 7.125 1.00 0.00 C ATOM 674 C THR A 48 -4.886 -3.138 6.165 1.00 0.00 C ATOM 675 O THR A 48 -5.496 -3.309 5.111 1.00 0.00 O ATOM 676 CB THR A 48 -3.127 -4.327 7.594 1.00 0.00 C ATOM 677 OG1 THR A 48 -2.432 -5.203 6.649 1.00 0.00 O ATOM 678 CG2 THR A 48 -2.937 -4.777 9.041 1.00 0.00 C ATOM 0 H THR A 48 -4.275 -6.229 6.402 1.00 0.00 H new ATOM 0 HA THR A 48 -5.257 -4.156 8.013 1.00 0.00 H new ATOM 0 HB THR A 48 -2.716 -3.317 7.587 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.484 -5.258 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.875 -4.770 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.468 -4.097 9.706 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.331 -5.786 9.163 1.00 0.00 H new ATOM 686 N THR A 49 -4.508 -1.942 6.604 1.00 0.00 N ATOM 687 CA THR A 49 -4.966 -0.711 5.969 1.00 0.00 C ATOM 688 C THR A 49 -3.980 -0.266 4.896 1.00 0.00 C ATOM 689 O THR A 49 -2.862 -0.779 4.814 1.00 0.00 O ATOM 690 CB THR A 49 -5.196 0.440 7.034 1.00 0.00 C ATOM 691 OG1 THR A 49 -5.493 -0.234 8.298 1.00 0.00 O ATOM 692 CG2 THR A 49 -6.290 1.435 6.643 1.00 0.00 C ATOM 0 H THR A 49 -3.885 -1.799 7.398 1.00 0.00 H new ATOM 0 HA THR A 49 -5.926 -0.916 5.495 1.00 0.00 H new ATOM 0 HB THR A 49 -4.303 1.060 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.799 0.425 8.956 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.388 2.192 7.421 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.025 1.915 5.701 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.237 0.908 6.528 1.00 0.00 H new ATOM 700 N LEU A 50 -4.284 0.883 4.290 1.00 0.00 N ATOM 701 CA LEU A 50 -3.530 1.341 3.127 1.00 0.00 C ATOM 702 C LEU A 50 -3.490 2.864 3.088 1.00 0.00 C ATOM 703 O LEU A 50 -3.975 3.532 3.999 1.00 0.00 O ATOM 704 CB LEU A 50 -4.166 0.704 1.878 1.00 0.00 C ATOM 705 CG LEU A 50 -5.683 0.672 1.828 1.00 0.00 C ATOM 706 CD1 LEU A 50 -6.215 1.633 0.772 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.140 -0.750 1.520 1.00 0.00 C ATOM 0 H LEU A 50 -5.038 1.505 4.582 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.487 1.027 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.808 1.243 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.801 -0.320 1.794 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.076 0.987 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.304 1.590 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.895 2.648 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.827 1.349 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.229 -0.782 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.734 -1.062 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.784 -1.423 2.300 1.00 0.00 H new ATOM 719 N ALA A 51 -3.083 3.390 1.936 1.00 0.00 N ATOM 720 CA ALA A 51 -2.940 4.828 1.760 1.00 0.00 C ATOM 721 C ALA A 51 -2.792 5.169 0.279 1.00 0.00 C ATOM 722 O ALA A 51 -1.682 5.288 -0.234 1.00 0.00 O ATOM 723 CB ALA A 51 -1.752 5.346 2.564 1.00 0.00 C ATOM 0 H ALA A 51 -2.847 2.839 1.111 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.839 5.319 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.658 6.423 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.907 5.132 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.840 4.854 2.224 1.00 0.00 H new ATOM 729 N ASP A 52 -3.925 5.489 -0.340 1.00 0.00 N ATOM 730 CA ASP A 52 -3.951 5.869 -1.743 1.00 0.00 C ATOM 731 C ASP A 52 -3.200 7.182 -1.954 1.00 0.00 C ATOM 732 O ASP A 52 -3.103 8.003 -1.043 1.00 0.00 O ATOM 733 CB ASP A 52 -5.371 5.869 -2.303 1.00 0.00 C ATOM 734 CG ASP A 52 -6.238 6.980 -1.742 1.00 0.00 C ATOM 735 OD1 ASP A 52 -6.498 7.031 -0.531 1.00 0.00 O ATOM 736 OD2 ASP A 52 -6.678 7.809 -2.568 1.00 0.00 O ATOM 0 H ASP A 52 -4.839 5.492 0.113 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.420 5.114 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.326 5.965 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.839 4.908 -2.087 1.00 0.00 H new ATOM 741 N LYS A 53 -2.836 7.435 -3.206 1.00 0.00 N ATOM 742 CA LYS A 53 -2.335 8.740 -3.617 1.00 0.00 C ATOM 743 C LYS A 53 -1.996 8.734 -5.105 1.00 0.00 C ATOM 744 O LYS A 53 -1.128 7.987 -5.550 1.00 0.00 O ATOM 745 CB LYS A 53 -1.092 9.147 -2.825 1.00 0.00 C ATOM 746 CG LYS A 53 -0.900 10.659 -2.706 1.00 0.00 C ATOM 747 CD LYS A 53 0.552 11.086 -2.816 1.00 0.00 C ATOM 748 CE LYS A 53 0.756 12.474 -3.262 1.00 0.00 C ATOM 749 NZ LYS A 53 2.192 12.756 -3.518 1.00 0.00 N ATOM 0 H LYS A 53 -2.879 6.748 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.125 9.464 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.155 8.719 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.212 8.715 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.478 11.155 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.300 10.996 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.028 10.958 -1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.061 10.418 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.181 12.654 -4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.378 13.160 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.302 13.742 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.736 12.607 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.545 12.117 -4.259 1.00 0.00 H new ATOM 763 N ASP A 54 -2.599 9.670 -5.828 1.00 0.00 N ATOM 764 CA ASP A 54 -2.238 9.924 -7.216 1.00 0.00 C ATOM 765 C ASP A 54 -2.690 8.768 -8.103 1.00 0.00 C ATOM 766 O ASP A 54 -3.735 8.838 -8.747 1.00 0.00 O ATOM 767 CB ASP A 54 -0.760 10.281 -7.358 1.00 0.00 C ATOM 768 CG ASP A 54 -0.369 10.665 -8.772 1.00 0.00 C ATOM 769 OD1 ASP A 54 -0.403 9.830 -9.688 1.00 0.00 O ATOM 770 OD2 ASP A 54 -0.015 11.851 -8.946 1.00 0.00 O ATOM 0 H ASP A 54 -3.345 10.269 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.773 10.806 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.527 11.108 -6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.156 9.432 -7.039 1.00 0.00 H new ATOM 775 N GLY A 55 -1.780 7.815 -8.295 1.00 0.00 N ATOM 776 CA GLY A 55 -2.089 6.609 -9.050 1.00 0.00 C ATOM 777 C GLY A 55 -1.498 5.383 -8.360 1.00 0.00 C ATOM 778 O GLY A 55 -1.228 4.369 -9.001 1.00 0.00 O ATOM 0 H GLY A 55 -0.826 7.857 -7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.169 6.497 -9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.690 6.693 -10.061 1.00 0.00 H new ATOM 782 N GLU A 56 -1.175 5.552 -7.083 1.00 0.00 N ATOM 783 CA GLU A 56 -0.421 4.550 -6.340 1.00 0.00 C ATOM 784 C GLU A 56 -0.772 4.632 -4.851 1.00 0.00 C ATOM 785 O GLU A 56 -1.811 5.181 -4.488 1.00 0.00 O ATOM 786 CB GLU A 56 1.061 4.802 -6.579 1.00 0.00 C ATOM 787 CG GLU A 56 1.501 6.241 -6.519 1.00 0.00 C ATOM 788 CD GLU A 56 2.509 6.619 -5.469 1.00 0.00 C ATOM 789 OE1 GLU A 56 2.603 6.066 -4.387 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.346 7.442 -5.899 1.00 0.00 O ATOM 0 H GLU A 56 -1.425 6.378 -6.539 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.673 3.545 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.630 4.237 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.325 4.402 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.914 6.506 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.614 6.857 -6.370 1.00 0.00 H new ATOM 797 N ILE A 57 -0.020 3.888 -4.047 1.00 0.00 N ATOM 798 CA ILE A 57 -0.459 3.523 -2.702 1.00 0.00 C ATOM 799 C ILE A 57 0.746 3.347 -1.783 1.00 0.00 C ATOM 800 O ILE A 57 1.825 2.959 -2.230 1.00 0.00 O ATOM 801 CB ILE A 57 -1.347 2.223 -2.762 1.00 0.00 C ATOM 802 CG1 ILE A 57 -0.476 1.038 -3.254 1.00 0.00 C ATOM 803 CG2 ILE A 57 -2.615 2.410 -3.624 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.216 -0.320 -3.312 1.00 0.00 C ATOM 0 H ILE A 57 0.898 3.525 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.070 4.325 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.712 2.005 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.094 1.272 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.387 0.940 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.190 1.484 -3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.224 3.212 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.327 2.666 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.533 -1.092 -3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.575 -0.582 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.063 -0.244 -3.994 1.00 0.00 H new ATOM 816 N TYR A 58 0.501 3.474 -0.482 1.00 0.00 N ATOM 817 CA TYR A 58 1.423 2.958 0.527 1.00 0.00 C ATOM 818 C TYR A 58 0.622 2.369 1.695 1.00 0.00 C ATOM 819 O TYR A 58 -0.609 2.384 1.668 1.00 0.00 O ATOM 820 CB TYR A 58 2.403 4.030 1.018 1.00 0.00 C ATOM 821 CG TYR A 58 2.633 5.188 0.075 1.00 0.00 C ATOM 822 CD1 TYR A 58 1.595 6.071 -0.225 1.00 0.00 C ATOM 823 CD2 TYR A 58 3.890 5.438 -0.481 1.00 0.00 C ATOM 824 CE1 TYR A 58 1.782 7.138 -1.097 1.00 0.00 C ATOM 825 CE2 TYR A 58 4.091 6.496 -1.365 1.00 0.00 C ATOM 826 CZ TYR A 58 3.030 7.346 -1.669 1.00 0.00 C ATOM 827 OH TYR A 58 3.157 8.358 -2.580 1.00 0.00 O ATOM 0 H TYR A 58 -0.328 3.930 -0.101 1.00 0.00 H new ATOM 0 HA TYR A 58 2.026 2.174 0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.037 4.424 1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.362 3.554 1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.627 5.923 0.229 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.721 4.799 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.961 7.801 -1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.062 6.656 -1.811 1.00 0.00 H new ATOM 0 HH TYR A 58 4.082 8.395 -2.902 1.00 0.00 H new ATOM 837 N CYS A 59 1.318 1.676 2.597 1.00 0.00 N ATOM 838 CA CYS A 59 0.691 0.585 3.353 1.00 0.00 C ATOM 839 C CYS A 59 0.391 1.017 4.775 1.00 0.00 C ATOM 840 O CYS A 59 0.819 2.082 5.222 1.00 0.00 O ATOM 841 CB CYS A 59 1.443 -0.716 3.211 1.00 0.00 C ATOM 842 SG CYS A 59 2.986 -0.945 4.087 1.00 0.00 S ATOM 0 H CYS A 59 2.299 1.844 2.821 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.281 0.363 2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.771 -1.517 3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.646 -0.861 2.150 1.00 0.00 H new ATOM 847 N LYS A 60 -0.386 0.196 5.479 1.00 0.00 N ATOM 848 CA LYS A 60 -0.562 0.358 6.917 1.00 0.00 C ATOM 849 C LYS A 60 0.627 -0.251 7.664 1.00 0.00 C ATOM 850 O LYS A 60 0.982 0.218 8.747 1.00 0.00 O ATOM 851 CB LYS A 60 -1.849 -0.299 7.414 1.00 0.00 C ATOM 852 CG LYS A 60 -2.097 -0.130 8.914 1.00 0.00 C ATOM 853 CD LYS A 60 -2.345 1.311 9.317 1.00 0.00 C ATOM 854 CE LYS A 60 -3.412 1.500 10.313 1.00 0.00 C ATOM 855 NZ LYS A 60 -2.853 1.771 11.663 1.00 0.00 N ATOM 0 H LYS A 60 -0.902 -0.586 5.076 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.625 1.428 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.693 0.121 6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.815 -1.363 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.956 -0.735 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.237 -0.512 9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.419 1.727 9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.595 1.885 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.052 2.329 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.039 0.609 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.631 1.899 12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.262 0.969 11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.274 2.635 11.632 1.00 0.00 H new ATOM 869 N GLY A 61 1.397 -1.052 6.936 1.00 0.00 N ATOM 870 CA GLY A 61 2.714 -1.484 7.378 1.00 0.00 C ATOM 871 C GLY A 61 3.658 -0.299 7.518 1.00 0.00 C ATOM 872 O GLY A 61 4.689 -0.379 8.189 1.00 0.00 O ATOM 0 H GLY A 61 1.125 -1.419 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.629 -2.001 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.125 -2.198 6.665 1.00 0.00 H new ATOM 876 N CYS A 62 3.212 0.862 7.035 1.00 0.00 N ATOM 877 CA CYS A 62 4.133 1.979 6.802 1.00 0.00 C ATOM 878 C CYS A 62 3.712 3.163 7.684 1.00 0.00 C ATOM 879 O CYS A 62 4.438 3.531 8.609 1.00 0.00 O ATOM 880 CB CYS A 62 4.147 2.374 5.330 1.00 0.00 C ATOM 881 SG CYS A 62 5.529 1.713 4.372 1.00 0.00 S ATOM 0 H CYS A 62 2.238 1.053 6.801 1.00 0.00 H new ATOM 0 HA CYS A 62 5.146 1.674 7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.216 2.041 4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.165 3.462 5.262 1.00 0.00 H new ATOM 886 N TYR A 63 2.416 3.461 7.622 1.00 0.00 N ATOM 887 CA TYR A 63 1.760 4.308 8.607 1.00 0.00 C ATOM 888 C TYR A 63 1.885 3.702 10.001 1.00 0.00 C ATOM 889 O TYR A 63 1.759 4.397 11.006 1.00 0.00 O ATOM 890 CB TYR A 63 0.277 4.531 8.236 1.00 0.00 C ATOM 891 CG TYR A 63 -0.319 5.802 8.796 1.00 0.00 C ATOM 892 CD1 TYR A 63 -0.145 7.016 8.130 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.121 5.790 9.939 1.00 0.00 C ATOM 894 CE1 TYR A 63 -0.763 8.180 8.573 1.00 0.00 C ATOM 895 CE2 TYR A 63 -1.745 6.949 10.399 1.00 0.00 C ATOM 896 CZ TYR A 63 -1.574 8.141 9.698 1.00 0.00 C ATOM 897 OH TYR A 63 -2.225 9.288 10.061 1.00 0.00 O ATOM 0 H TYR A 63 1.795 3.121 6.888 1.00 0.00 H new ATOM 0 HA TYR A 63 2.256 5.278 8.610 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.185 4.548 7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.306 3.682 8.592 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.483 7.052 7.252 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.261 4.864 10.478 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.613 9.110 8.044 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.355 6.923 11.290 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.759 9.120 10.865 1.00 0.00 H new ATOM 907 N ALA A 64 2.217 2.416 10.037 1.00 0.00 N ATOM 908 CA ALA A 64 2.620 1.760 11.275 1.00 0.00 C ATOM 909 C ALA A 64 4.096 2.021 11.557 1.00 0.00 C ATOM 910 O ALA A 64 4.443 2.732 12.500 1.00 0.00 O ATOM 911 CB ALA A 64 2.331 0.264 11.199 1.00 0.00 C ATOM 0 H ALA A 64 2.215 1.806 9.220 1.00 0.00 H new ATOM 0 HA ALA A 64 2.040 2.175 12.100 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.637 -0.213 12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.264 0.107 11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.886 -0.172 10.368 1.00 0.00 H new ATOM 917 N LYS A 65 4.935 1.632 10.598 1.00 0.00 N ATOM 918 CA LYS A 65 6.379 1.687 10.788 1.00 0.00 C ATOM 919 C LYS A 65 6.832 3.124 11.025 1.00 0.00 C ATOM 920 O LYS A 65 7.880 3.360 11.626 1.00 0.00 O ATOM 921 CB LYS A 65 7.132 1.120 9.583 1.00 0.00 C ATOM 922 CG LYS A 65 7.925 -0.151 9.891 1.00 0.00 C ATOM 923 CD LYS A 65 7.046 -1.380 10.035 1.00 0.00 C ATOM 924 CE LYS A 65 6.876 -2.169 8.804 1.00 0.00 C ATOM 925 NZ LYS A 65 5.739 -3.116 8.918 1.00 0.00 N ATOM 0 H LYS A 65 4.640 1.278 9.688 1.00 0.00 H new ATOM 0 HA LYS A 65 6.610 1.076 11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.418 0.907 8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.815 1.880 9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.650 -0.321 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.490 -0.006 10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.470 -2.024 10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.063 -1.066 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.709 -1.499 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.792 -2.722 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.861 -3.889 8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.709 -3.508 9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.849 -2.616 8.720 1.00 0.00 H new ATOM 939 N ASN A 66 5.908 4.051 10.783 1.00 0.00 N ATOM 940 CA ASN A 66 6.128 5.457 11.082 1.00 0.00 C ATOM 941 C ASN A 66 4.798 6.162 11.338 1.00 0.00 C ATOM 942 O ASN A 66 4.495 7.178 10.714 1.00 0.00 O ATOM 943 CB ASN A 66 6.998 6.131 10.024 1.00 0.00 C ATOM 944 CG ASN A 66 8.365 5.489 9.872 1.00 0.00 C ATOM 945 OD1 ASN A 66 9.192 5.532 10.795 1.00 0.00 O ATOM 946 ND2 ASN A 66 8.597 4.860 8.720 1.00 0.00 N ATOM 0 H ASN A 66 4.994 3.848 10.378 1.00 0.00 H new ATOM 0 HA ASN A 66 6.700 5.537 12.006 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.481 6.100 9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.125 7.182 10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.487 4.386 8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.884 4.853 7.990 1.00 0.00 H new ATOM 953 N PHE A 67 4.149 5.754 12.426 1.00 0.00 N ATOM 954 CA PHE A 67 2.899 6.368 12.847 1.00 0.00 C ATOM 955 C PHE A 67 3.113 7.846 13.166 1.00 0.00 C ATOM 956 O PHE A 67 3.445 8.202 14.296 1.00 0.00 O ATOM 957 CB PHE A 67 2.249 5.679 14.076 1.00 0.00 C ATOM 958 CG PHE A 67 3.264 5.053 14.988 1.00 0.00 C ATOM 959 CD1 PHE A 67 4.495 5.641 15.282 1.00 0.00 C ATOM 960 CD2 PHE A 67 2.909 3.856 15.612 1.00 0.00 C ATOM 961 CE1 PHE A 67 5.384 5.023 16.168 1.00 0.00 C ATOM 962 CE2 PHE A 67 3.766 3.239 16.510 1.00 0.00 C ATOM 963 CZ PHE A 67 4.989 3.840 16.815 1.00 0.00 C ATOM 0 H PHE A 67 4.472 4.999 13.031 1.00 0.00 H new ATOM 0 HA PHE A 67 2.214 6.248 12.007 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.667 6.413 14.634 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.552 4.914 13.733 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.763 6.581 14.822 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.953 3.404 15.392 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.359 5.449 16.352 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.490 2.302 16.970 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.636 3.392 17.554 1.00 0.00 H new ATOM 973 N GLY A 68 2.655 8.691 12.245 1.00 0.00 N ATOM 974 CA GLY A 68 2.707 10.131 12.425 1.00 0.00 C ATOM 975 C GLY A 68 4.173 10.610 12.376 1.00 0.00 C ATOM 976 O GLY A 68 4.921 10.503 13.360 1.00 0.00 O ATOM 0 H GLY A 68 2.241 8.395 11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.127 10.625 11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.257 10.404 13.379 1.00 0.00 H new ATOM 980 N PRO A 69 4.604 11.004 11.161 1.00 0.00 N ATOM 981 CA PRO A 69 6.018 11.368 10.895 1.00 0.00 C ATOM 982 C PRO A 69 6.589 12.372 11.893 1.00 0.00 C ATOM 983 O PRO A 69 6.270 13.559 11.844 1.00 0.00 O ATOM 984 CB PRO A 69 6.071 11.868 9.456 1.00 0.00 C ATOM 985 CG PRO A 69 4.773 11.521 8.786 1.00 0.00 C ATOM 986 CD PRO A 69 3.810 11.168 9.911 1.00 0.00 C ATOM 0 HA PRO A 69 6.659 10.496 11.026 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.233 12.946 9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.906 11.410 8.926 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.399 12.360 8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.898 10.683 8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.063 11.952 10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.272 10.249 9.678 1.00 0.00 H new ATOM 994 N LYS A 70 7.555 11.906 12.676 1.00 0.00 N ATOM 995 CA LYS A 70 8.309 12.771 13.571 1.00 0.00 C ATOM 996 C LYS A 70 9.049 13.844 12.779 1.00 0.00 C ATOM 997 O LYS A 70 9.990 13.550 12.045 1.00 0.00 O ATOM 998 CB LYS A 70 9.321 11.984 14.407 1.00 0.00 C ATOM 999 CG LYS A 70 8.815 11.608 15.799 1.00 0.00 C ATOM 1000 CD LYS A 70 7.512 10.831 15.771 1.00 0.00 C ATOM 1001 CE LYS A 70 7.367 9.824 16.834 1.00 0.00 C ATOM 1002 NZ LYS A 70 6.078 9.975 17.555 1.00 0.00 N ATOM 0 H LYS A 70 7.835 10.926 12.708 1.00 0.00 H new ATOM 0 HA LYS A 70 7.589 13.235 14.245 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.591 11.074 13.871 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.231 12.575 14.509 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.575 11.013 16.306 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.677 12.516 16.386 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.684 11.536 15.844 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.423 10.334 14.805 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.428 8.825 16.401 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.193 9.917 17.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.008 9.250 18.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.031 10.919 17.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.290 9.862 16.885 1.00 0.00 H new ATOM 1016 N GLY A 71 8.478 15.046 12.784 1.00 0.00 N ATOM 1017 CA GLY A 71 9.101 16.190 12.133 1.00 0.00 C ATOM 1018 C GLY A 71 9.420 17.276 13.157 1.00 0.00 C ATOM 1019 O GLY A 71 9.058 17.165 14.326 1.00 0.00 O ATOM 0 H GLY A 71 7.585 15.251 13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.015 15.876 11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.435 16.588 11.367 1.00 0.00 H new ATOM 1023 N PHE A 72 10.218 18.247 12.725 1.00 0.00 N ATOM 1024 CA PHE A 72 10.790 19.232 13.631 1.00 0.00 C ATOM 1025 C PHE A 72 11.797 18.572 14.569 1.00 0.00 C ATOM 1026 O PHE A 72 11.427 17.766 15.421 1.00 0.00 O ATOM 1027 CB PHE A 72 9.732 19.983 14.480 1.00 0.00 C ATOM 1028 CG PHE A 72 10.054 21.442 14.637 1.00 0.00 C ATOM 1029 CD1 PHE A 72 11.256 21.909 15.167 1.00 0.00 C ATOM 1030 CD2 PHE A 72 9.068 22.358 14.259 1.00 0.00 C ATOM 1031 CE1 PHE A 72 11.505 23.282 15.261 1.00 0.00 C ATOM 1032 CE2 PHE A 72 9.294 23.723 14.344 1.00 0.00 C ATOM 1033 CZ PHE A 72 10.525 24.185 14.813 1.00 0.00 C ATOM 0 H PHE A 72 10.483 18.372 11.748 1.00 0.00 H new ATOM 0 HA PHE A 72 11.280 19.969 12.995 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.753 19.878 14.012 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.665 19.520 15.465 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.001 21.205 15.508 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.117 21.997 13.896 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.436 23.643 15.672 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.525 24.422 14.050 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.726 25.246 14.832 1.00 0.00 H new ATOM 1043 N GLY A 73 13.074 18.807 14.289 1.00 0.00 N ATOM 1044 CA GLY A 73 14.154 18.087 14.948 1.00 0.00 C ATOM 1045 C GLY A 73 14.563 18.801 16.233 1.00 0.00 C ATOM 1046 O GLY A 73 14.052 19.874 16.548 1.00 0.00 O ATOM 0 H GLY A 73 13.387 19.496 13.605 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.836 17.070 15.175 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.011 18.011 14.278 1.00 0.00 H new ATOM 1050 N PHE A 74 15.582 18.255 16.887 1.00 0.00 N ATOM 1051 CA PHE A 74 16.229 18.927 18.006 1.00 0.00 C ATOM 1052 C PHE A 74 17.554 19.542 17.562 1.00 0.00 C ATOM 1053 O PHE A 74 18.596 18.890 17.607 1.00 0.00 O ATOM 1054 CB PHE A 74 16.488 18.000 19.222 1.00 0.00 C ATOM 1055 CG PHE A 74 15.216 17.568 19.892 1.00 0.00 C ATOM 1056 CD1 PHE A 74 14.330 16.647 19.334 1.00 0.00 C ATOM 1057 CD2 PHE A 74 14.910 18.157 21.121 1.00 0.00 C ATOM 1058 CE1 PHE A 74 13.174 16.267 20.023 1.00 0.00 C ATOM 1059 CE2 PHE A 74 13.770 17.793 21.822 1.00 0.00 C ATOM 1060 CZ PHE A 74 12.918 16.823 21.288 1.00 0.00 C ATOM 0 H PHE A 74 15.979 17.344 16.659 1.00 0.00 H new ATOM 0 HA PHE A 74 15.533 19.700 18.330 1.00 0.00 H new ATOM 0 HB2 PHE A 74 17.040 17.119 18.893 1.00 0.00 H new ATOM 0 HB3 PHE A 74 17.118 18.520 19.944 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.538 16.224 18.362 1.00 0.00 H new ATOM 0 HD2 PHE A 74 15.571 18.907 21.531 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.487 15.556 19.589 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.543 18.255 22.771 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.056 16.498 21.852 1.00 0.00 H new ATOM 1070 N GLY A 75 17.513 20.838 17.279 1.00 0.00 N ATOM 1071 CA GLY A 75 18.721 21.616 17.046 1.00 0.00 C ATOM 1072 C GLY A 75 19.355 21.232 15.713 1.00 0.00 C ATOM 1073 O GLY A 75 19.332 22.007 14.758 1.00 0.00 O ATOM 0 H GLY A 75 16.649 21.375 17.205 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.482 22.679 17.049 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.431 21.447 17.855 1.00 0.00 H new ATOM 1077 N GLN A 76 20.098 20.129 15.738 1.00 0.00 N ATOM 1078 CA GLN A 76 20.734 19.608 14.537 1.00 0.00 C ATOM 1079 C GLN A 76 20.498 18.105 14.420 1.00 0.00 C ATOM 1080 O GLN A 76 21.067 17.317 15.172 1.00 0.00 O ATOM 1081 CB GLN A 76 22.227 19.936 14.467 1.00 0.00 C ATOM 1082 CG GLN A 76 22.546 21.154 13.621 1.00 0.00 C ATOM 1083 CD GLN A 76 22.062 21.027 12.196 1.00 0.00 C ATOM 1084 OE1 GLN A 76 21.756 19.944 11.706 1.00 0.00 O ATOM 1085 NE2 GLN A 76 22.046 22.163 11.502 1.00 0.00 N ATOM 0 H GLN A 76 20.273 19.580 16.579 1.00 0.00 H new ATOM 0 HA GLN A 76 20.269 20.107 13.687 1.00 0.00 H new ATOM 0 HB2 GLN A 76 22.602 20.099 15.478 1.00 0.00 H new ATOM 0 HB3 GLN A 76 22.760 19.075 14.064 1.00 0.00 H new ATOM 0 HG2 GLN A 76 22.092 22.034 14.076 1.00 0.00 H new ATOM 0 HG3 GLN A 76 23.624 21.316 13.620 1.00 0.00 H new ATOM 0 HE21 GLN A 76 22.309 23.040 11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 76 21.771 22.157 10.520 1.00 0.00 H new ATOM 1094 N GLY A 77 19.777 17.723 13.370 1.00 0.00 N ATOM 1095 CA GLY A 77 19.641 16.322 12.997 1.00 0.00 C ATOM 1096 C GLY A 77 20.960 15.784 12.454 1.00 0.00 C ATOM 1097 O GLY A 77 21.992 16.451 12.528 1.00 0.00 O ATOM 0 H GLY A 77 19.276 18.369 12.760 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.332 15.737 13.863 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.860 16.214 12.244 1.00 0.00 H new ATOM 1101 N ALA A 78 20.862 14.676 11.725 1.00 0.00 N ATOM 1102 CA ALA A 78 22.035 14.021 11.166 1.00 0.00 C ATOM 1103 C ALA A 78 22.972 13.566 12.282 1.00 0.00 C ATOM 1104 O ALA A 78 23.070 12.375 12.573 1.00 0.00 O ATOM 1105 CB ALA A 78 22.753 14.955 10.196 1.00 0.00 C ATOM 0 H ALA A 78 19.979 14.214 11.509 1.00 0.00 H new ATOM 0 HA ALA A 78 21.714 13.139 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 78 23.628 14.451 9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 78 22.077 15.226 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 78 23.067 15.856 10.723 1.00 0.00 H new ATOM 1111 N GLY A 79 23.776 14.506 12.766 1.00 0.00 N ATOM 1112 CA GLY A 79 24.870 14.194 13.675 1.00 0.00 C ATOM 1113 C GLY A 79 25.326 15.449 14.411 1.00 0.00 C ATOM 1114 O GLY A 79 24.577 16.418 14.529 1.00 0.00 O ATOM 0 H GLY A 79 23.689 15.497 12.541 1.00 0.00 H new ATOM 0 HA2 GLY A 79 24.550 13.440 14.394 1.00 0.00 H new ATOM 0 HA3 GLY A 79 25.704 13.769 13.117 1.00 0.00 H new ATOM 1118 N ALA A 80 26.507 15.359 15.012 1.00 0.00 N ATOM 1119 CA ALA A 80 26.985 16.385 15.930 1.00 0.00 C ATOM 1120 C ALA A 80 28.394 16.826 15.543 1.00 0.00 C ATOM 1121 O ALA A 80 28.722 18.010 15.607 1.00 0.00 O ATOM 1122 CB ALA A 80 26.948 15.868 17.364 1.00 0.00 C ATOM 0 H ALA A 80 27.154 14.582 14.879 1.00 0.00 H new ATOM 0 HA ALA A 80 26.328 17.252 15.864 1.00 0.00 H new ATOM 0 HB1 ALA A 80 27.308 16.644 18.040 1.00 0.00 H new ATOM 0 HB2 ALA A 80 25.925 15.602 17.629 1.00 0.00 H new ATOM 0 HB3 ALA A 80 27.585 14.988 17.450 1.00 0.00 H new ATOM 1128 N LEU A 81 29.255 15.841 15.313 1.00 0.00 N ATOM 1129 CA LEU A 81 30.681 16.084 15.146 1.00 0.00 C ATOM 1130 C LEU A 81 31.031 16.199 13.665 1.00 0.00 C ATOM 1131 O LEU A 81 32.153 15.900 13.259 1.00 0.00 O ATOM 1132 CB LEU A 81 31.440 14.966 15.877 1.00 0.00 C ATOM 1133 CG LEU A 81 31.044 14.695 17.318 1.00 0.00 C ATOM 1134 CD1 LEU A 81 30.973 13.200 17.596 1.00 0.00 C ATOM 1135 CD2 LEU A 81 32.071 15.351 18.237 1.00 0.00 C ATOM 0 H LEU A 81 28.986 14.860 15.238 1.00 0.00 H new ATOM 0 HA LEU A 81 30.978 17.035 15.587 1.00 0.00 H new ATOM 0 HB2 LEU A 81 31.313 14.043 15.311 1.00 0.00 H new ATOM 0 HB3 LEU A 81 32.503 15.208 15.857 1.00 0.00 H new ATOM 0 HG LEU A 81 30.054 15.112 17.501 1.00 0.00 H new ATOM 0 HD11 LEU A 81 30.687 13.036 18.635 1.00 0.00 H new ATOM 0 HD12 LEU A 81 30.233 12.743 16.940 1.00 0.00 H new ATOM 0 HD13 LEU A 81 31.948 12.749 17.412 1.00 0.00 H new ATOM 0 HD21 LEU A 81 31.800 15.165 19.276 1.00 0.00 H new ATOM 0 HD22 LEU A 81 33.057 14.932 18.038 1.00 0.00 H new ATOM 0 HD23 LEU A 81 32.090 16.425 18.053 1.00 0.00 H new ATOM 1147 N ILE A 82 29.993 16.397 12.856 1.00 0.00 N ATOM 1148 CA ILE A 82 30.156 16.511 11.414 1.00 0.00 C ATOM 1149 C ILE A 82 29.270 17.625 10.864 1.00 0.00 C ATOM 1150 O ILE A 82 28.045 17.521 10.884 1.00 0.00 O ATOM 1151 CB ILE A 82 29.852 15.129 10.720 1.00 0.00 C ATOM 1152 CG1 ILE A 82 28.568 14.520 11.343 1.00 0.00 C ATOM 1153 CG2 ILE A 82 31.048 14.155 10.782 1.00 0.00 C ATOM 1154 CD1 ILE A 82 27.769 13.598 10.390 1.00 0.00 C ATOM 0 H ILE A 82 29.029 16.482 13.178 1.00 0.00 H new ATOM 0 HA ILE A 82 31.190 16.774 11.192 1.00 0.00 H new ATOM 0 HB ILE A 82 29.683 15.306 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 82 28.844 13.952 12.231 1.00 0.00 H new ATOM 0 HG13 ILE A 82 27.919 15.331 11.673 1.00 0.00 H new ATOM 0 HG21 ILE A 82 30.782 13.220 10.289 1.00 0.00 H new ATOM 0 HG22 ILE A 82 31.906 14.600 10.278 1.00 0.00 H new ATOM 0 HG23 ILE A 82 31.302 13.956 11.823 1.00 0.00 H new ATOM 0 HD11 ILE A 82 26.888 13.216 10.907 1.00 0.00 H new ATOM 0 HD12 ILE A 82 27.458 14.164 9.512 1.00 0.00 H new ATOM 0 HD13 ILE A 82 28.398 12.763 10.079 1.00 0.00 H new ATOM 1166 N HIS A 83 29.911 18.557 10.163 1.00 0.00 N ATOM 1167 CA HIS A 83 29.206 19.653 9.517 1.00 0.00 C ATOM 1168 C HIS A 83 28.493 20.513 10.557 1.00 0.00 C ATOM 1169 O HIS A 83 27.672 21.363 10.214 1.00 0.00 O ATOM 1170 CB HIS A 83 28.172 19.189 8.457 1.00 0.00 C ATOM 1171 CG HIS A 83 28.807 18.870 7.138 1.00 0.00 C ATOM 1172 ND1 HIS A 83 28.388 17.866 6.302 1.00 0.00 N ATOM 1173 CD2 HIS A 83 29.911 19.404 6.559 1.00 0.00 C ATOM 1174 CE1 HIS A 83 29.217 17.783 5.274 1.00 0.00 C ATOM 1175 NE2 HIS A 83 30.150 18.698 5.410 1.00 0.00 N ATOM 0 H HIS A 83 30.922 18.572 10.029 1.00 0.00 H new ATOM 0 HA HIS A 83 29.970 20.229 8.996 1.00 0.00 H new ATOM 0 HB2 HIS A 83 27.648 18.308 8.827 1.00 0.00 H new ATOM 0 HB3 HIS A 83 27.424 19.970 8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 83 30.494 20.232 6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 83 29.140 17.080 4.458 1.00 0.00 H new ATOM 0 HE2 HIS A 83 30.925 18.856 4.766 1.00 0.00 H new ATOM 1184 N SER A 84 28.940 20.389 11.802 1.00 0.00 N ATOM 1185 CA SER A 84 28.533 21.300 12.863 1.00 0.00 C ATOM 1186 C SER A 84 29.752 22.000 13.457 1.00 0.00 C ATOM 1187 O SER A 84 30.302 21.559 14.465 1.00 0.00 O ATOM 1188 CB SER A 84 27.731 20.581 13.940 1.00 0.00 C ATOM 1189 OG SER A 84 26.343 20.825 13.802 1.00 0.00 O ATOM 0 H SER A 84 29.589 19.661 12.101 1.00 0.00 H new ATOM 0 HA SER A 84 27.880 22.056 12.428 1.00 0.00 H new ATOM 0 HB2 SER A 84 27.921 19.509 13.882 1.00 0.00 H new ATOM 0 HB3 SER A 84 28.064 20.911 14.924 1.00 0.00 H new ATOM 0 HG SER A 84 25.856 20.349 14.506 1.00 0.00 H new ATOM 1195 N GLN A 85 30.253 22.989 12.723 1.00 0.00 N ATOM 1196 CA GLN A 85 31.538 23.601 13.029 1.00 0.00 C ATOM 1197 C GLN A 85 31.539 25.070 12.614 1.00 0.00 C ATOM 1198 O GLN A 85 32.465 25.809 12.979 1.00 0.00 O ATOM 1199 CB GLN A 85 32.715 22.852 12.398 1.00 0.00 C ATOM 1200 CG GLN A 85 34.070 23.314 12.896 1.00 0.00 C ATOM 1201 CD GLN A 85 35.183 22.351 12.563 1.00 0.00 C ATOM 1202 OE1 GLN A 85 35.054 21.479 11.707 1.00 0.00 O ATOM 1203 NE2 GLN A 85 36.321 22.550 13.224 1.00 0.00 N ATOM 1204 OXT GLN A 85 30.523 25.560 12.096 1.00 0.00 O ATOM 0 H GLN A 85 29.784 23.384 11.908 1.00 0.00 H new ATOM 0 HA GLN A 85 31.675 23.537 14.109 1.00 0.00 H new ATOM 0 HB2 GLN A 85 32.607 21.787 12.602 1.00 0.00 H new ATOM 0 HB3 GLN A 85 32.674 22.975 11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 85 34.298 24.287 12.461 1.00 0.00 H new ATOM 0 HG3 GLN A 85 34.026 23.450 13.977 1.00 0.00 H new ATOM 0 HE21 GLN A 85 36.380 23.287 13.927 1.00 0.00 H new ATOM 0 HE22 GLN A 85 37.134 21.966 13.028 1.00 0.00 H new TER 1213 GLN A 85 HETATM 1214 ZN ZN A 86 -7.134 -7.578 -8.906 1.00 0.00 ZN HETATM 1215 ZN ZN A 87 4.730 0.050 2.979 1.00 0.00 ZN