USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot -56:sc= 1.27 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 1.03 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= -0.0756 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -126:sc= -0.852 (180deg=-3.09!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-0.78) USER MOD Single : A 38 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.6!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= -0.146 (180deg=-2.61!) USER MOD Single : A 49 THR OG1 : rot 47:sc= 1.12 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0481 USER MOD Single : A 55 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -0.399 K(o=-0.4,f=-1.5) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc=-0.00998 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 57:sc= 0.336 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.51) USER MOD Single : A 99 HIS : no HE2:sc= -7.08! C(o=-7.1!,f=-9.7!) USER MOD Single : A 100 SER OG : rot -81:sc= 0.128 USER MOD Single : A 102 SER OG : rot 180:sc=-0.00765 USER MOD Single : A 105 SER OG : rot 117:sc= 0.233 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= 0.0194 USER MOD Single : A 114 SER OG : rot 180:sc= 0.12 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.093 6.048 -0.158 1.00 60.41 N ATOM 2 CA MET A 1 -18.311 7.266 -0.331 1.00 41.13 C ATOM 3 C MET A 1 -16.948 7.138 0.342 1.00 34.04 C ATOM 4 O MET A 1 -16.861 6.917 1.550 1.00 63.32 O ATOM 5 CB MET A 1 -19.065 8.467 0.243 1.00 22.33 C ATOM 6 CG MET A 1 -18.698 9.787 -0.416 1.00 31.01 C ATOM 7 SD MET A 1 -20.112 10.891 -0.595 1.00 12.31 S ATOM 8 CE MET A 1 -19.313 12.367 -1.220 1.00 61.42 C ATOM 0 H1 MET A 1 -20.016 6.159 -0.624 1.00 60.41 H new ATOM 0 H2 MET A 1 -18.585 5.246 -0.582 1.00 60.41 H new ATOM 0 H3 MET A 1 -19.237 5.869 0.856 1.00 60.41 H new ATOM 0 HA MET A 1 -18.156 7.420 -1.399 1.00 41.13 H new ATOM 0 HB2 MET A 1 -20.136 8.300 0.131 1.00 22.33 H new ATOM 0 HB3 MET A 1 -18.863 8.535 1.312 1.00 22.33 H new ATOM 0 HG2 MET A 1 -17.928 10.282 0.176 1.00 31.01 H new ATOM 0 HG3 MET A 1 -18.268 9.591 -1.398 1.00 31.01 H new ATOM 0 HE1 MET A 1 -20.060 13.144 -1.382 1.00 61.42 H new ATOM 0 HE2 MET A 1 -18.577 12.716 -0.496 1.00 61.42 H new ATOM 0 HE3 MET A 1 -18.816 12.140 -2.163 1.00 61.42 H new ATOM 16 N ASP A 2 -15.888 7.276 -0.447 1.00 14.51 N ATOM 17 CA ASP A 2 -14.530 7.175 0.073 1.00 5.44 C ATOM 18 C ASP A 2 -13.535 7.839 -0.874 1.00 21.34 C ATOM 19 O ASP A 2 -13.479 7.515 -2.061 1.00 54.30 O ATOM 20 CB ASP A 2 -14.149 5.709 0.288 1.00 71.13 C ATOM 21 CG ASP A 2 -13.096 5.536 1.363 1.00 4.05 C ATOM 22 OD1 ASP A 2 -12.009 6.139 1.234 1.00 52.53 O ATOM 23 OD2 ASP A 2 -13.358 4.797 2.336 1.00 43.11 O ATOM 0 H ASP A 2 -15.943 7.458 -1.449 1.00 14.51 H new ATOM 0 HA ASP A 2 -14.495 7.694 1.031 1.00 5.44 H new ATOM 0 HB2 ASP A 2 -15.039 5.142 0.561 1.00 71.13 H new ATOM 0 HB3 ASP A 2 -13.780 5.292 -0.649 1.00 71.13 H new ATOM 27 N THR A 3 -12.749 8.770 -0.342 1.00 64.20 N ATOM 28 CA THR A 3 -11.758 9.480 -1.140 1.00 65.11 C ATOM 29 C THR A 3 -10.345 9.181 -0.654 1.00 64.30 C ATOM 30 O THR A 3 -10.154 8.607 0.418 1.00 72.15 O ATOM 31 CB THR A 3 -11.991 11.002 -1.099 1.00 43.12 C ATOM 32 OG1 THR A 3 -12.810 11.343 0.024 1.00 51.40 O ATOM 33 CG2 THR A 3 -12.654 11.483 -2.381 1.00 53.14 C ATOM 0 H THR A 3 -12.780 9.050 0.638 1.00 64.20 H new ATOM 0 HA THR A 3 -11.868 9.130 -2.166 1.00 65.11 H new ATOM 0 HB THR A 3 -11.022 11.492 -1.003 1.00 43.12 H new ATOM 0 HG1 THR A 3 -12.952 12.313 0.043 1.00 51.40 H new ATOM 0 HG21 THR A 3 -12.808 12.561 -2.329 1.00 53.14 H new ATOM 0 HG22 THR A 3 -12.014 11.249 -3.232 1.00 53.14 H new ATOM 0 HG23 THR A 3 -13.616 10.984 -2.503 1.00 53.14 H new ATOM 41 N SER A 4 -9.354 9.575 -1.449 1.00 74.34 N ATOM 42 CA SER A 4 -7.957 9.346 -1.101 1.00 61.41 C ATOM 43 C SER A 4 -7.619 9.991 0.239 1.00 20.33 C ATOM 44 O SER A 4 -6.706 9.551 0.941 1.00 72.32 O ATOM 45 CB SER A 4 -7.040 9.901 -2.193 1.00 15.11 C ATOM 46 OG SER A 4 -7.243 9.224 -3.421 1.00 72.45 O ATOM 0 H SER A 4 -9.494 10.054 -2.338 1.00 74.34 H new ATOM 0 HA SER A 4 -7.800 8.271 -1.017 1.00 61.41 H new ATOM 0 HB2 SER A 4 -7.230 10.966 -2.325 1.00 15.11 H new ATOM 0 HB3 SER A 4 -5.999 9.799 -1.885 1.00 15.11 H new ATOM 0 HG SER A 4 -6.647 9.598 -4.103 1.00 72.45 H new ATOM 51 N LYS A 5 -8.360 11.036 0.590 1.00 24.32 N ATOM 52 CA LYS A 5 -8.141 11.742 1.846 1.00 1.21 C ATOM 53 C LYS A 5 -8.450 10.841 3.039 1.00 61.45 C ATOM 54 O LYS A 5 -7.907 11.027 4.127 1.00 31.42 O ATOM 55 CB LYS A 5 -9.010 13.000 1.906 1.00 41.33 C ATOM 56 CG LYS A 5 -8.406 14.191 1.182 1.00 71.33 C ATOM 57 CD LYS A 5 -7.872 15.226 2.158 1.00 31.04 C ATOM 58 CE LYS A 5 -8.859 16.366 2.358 1.00 61.53 C ATOM 59 NZ LYS A 5 -8.172 17.636 2.724 1.00 71.30 N ATOM 0 H LYS A 5 -9.118 11.413 0.021 1.00 24.32 H new ATOM 0 HA LYS A 5 -7.091 12.030 1.893 1.00 1.21 H new ATOM 0 HB2 LYS A 5 -9.986 12.779 1.473 1.00 41.33 H new ATOM 0 HB3 LYS A 5 -9.177 13.266 2.950 1.00 41.33 H new ATOM 0 HG2 LYS A 5 -7.599 13.852 0.533 1.00 71.33 H new ATOM 0 HG3 LYS A 5 -9.160 14.649 0.541 1.00 71.33 H new ATOM 0 HD2 LYS A 5 -7.665 14.751 3.117 1.00 31.04 H new ATOM 0 HD3 LYS A 5 -6.927 15.623 1.788 1.00 31.04 H new ATOM 0 HE2 LYS A 5 -9.433 16.514 1.443 1.00 61.53 H new ATOM 0 HE3 LYS A 5 -9.569 16.099 3.140 1.00 61.53 H new ATOM 0 HZ1 LYS A 5 -8.878 18.389 2.852 1.00 71.30 H new ATOM 0 HZ2 LYS A 5 -7.644 17.502 3.610 1.00 71.30 H new ATOM 0 HZ3 LYS A 5 -7.513 17.905 1.966 1.00 71.30 H new ATOM 69 N PHE A 6 -9.325 9.865 2.824 1.00 33.22 N ATOM 70 CA PHE A 6 -9.706 8.934 3.880 1.00 44.42 C ATOM 71 C PHE A 6 -8.746 7.750 3.935 1.00 33.11 C ATOM 72 O PHE A 6 -8.505 7.180 4.999 1.00 13.22 O ATOM 73 CB PHE A 6 -11.136 8.436 3.660 1.00 61.31 C ATOM 74 CG PHE A 6 -12.063 8.753 4.798 1.00 14.31 C ATOM 75 CD1 PHE A 6 -12.185 10.050 5.270 1.00 72.11 C ATOM 76 CD2 PHE A 6 -12.814 7.753 5.396 1.00 42.12 C ATOM 77 CE1 PHE A 6 -13.037 10.343 6.318 1.00 23.31 C ATOM 78 CE2 PHE A 6 -13.669 8.040 6.444 1.00 64.14 C ATOM 79 CZ PHE A 6 -13.781 9.338 6.905 1.00 32.40 C ATOM 0 H PHE A 6 -9.784 9.698 1.928 1.00 33.22 H new ATOM 0 HA PHE A 6 -9.656 9.464 4.831 1.00 44.42 H new ATOM 0 HB2 PHE A 6 -11.530 8.880 2.746 1.00 61.31 H new ATOM 0 HB3 PHE A 6 -11.117 7.357 3.507 1.00 61.31 H new ATOM 0 HD1 PHE A 6 -11.608 10.841 4.814 1.00 72.11 H new ATOM 0 HD2 PHE A 6 -12.730 6.737 5.039 1.00 42.12 H new ATOM 0 HE1 PHE A 6 -13.121 11.358 6.678 1.00 23.31 H new ATOM 0 HE2 PHE A 6 -14.248 7.251 6.901 1.00 64.14 H new ATOM 0 HZ PHE A 6 -14.449 9.566 7.723 1.00 32.40 H new ATOM 88 N TRP A 7 -8.200 7.386 2.780 1.00 15.20 N ATOM 89 CA TRP A 7 -7.267 6.269 2.695 1.00 21.22 C ATOM 90 C TRP A 7 -5.831 6.743 2.893 1.00 34.21 C ATOM 91 O TRP A 7 -4.903 5.936 2.955 1.00 72.31 O ATOM 92 CB TRP A 7 -7.403 5.565 1.343 1.00 2.24 C ATOM 93 CG TRP A 7 -8.388 4.436 1.359 1.00 54.25 C ATOM 94 CD1 TRP A 7 -8.409 3.377 2.221 1.00 72.01 C ATOM 95 CD2 TRP A 7 -9.496 4.253 0.470 1.00 63.34 C ATOM 96 NE1 TRP A 7 -9.462 2.547 1.922 1.00 74.43 N ATOM 97 CE2 TRP A 7 -10.145 3.063 0.851 1.00 61.03 C ATOM 98 CE3 TRP A 7 -10.004 4.981 -0.611 1.00 44.21 C ATOM 99 CZ2 TRP A 7 -11.273 2.586 0.190 1.00 72.55 C ATOM 100 CZ3 TRP A 7 -11.123 4.506 -1.267 1.00 2.13 C ATOM 101 CH2 TRP A 7 -11.748 3.318 -0.865 1.00 13.22 C ATOM 0 H TRP A 7 -8.387 7.848 1.890 1.00 15.20 H new ATOM 0 HA TRP A 7 -7.510 5.564 3.490 1.00 21.22 H new ATOM 0 HB2 TRP A 7 -7.708 6.293 0.591 1.00 2.24 H new ATOM 0 HB3 TRP A 7 -6.428 5.183 1.040 1.00 2.24 H new ATOM 0 HD1 TRP A 7 -7.701 3.216 3.021 1.00 72.01 H new ATOM 0 HE1 TRP A 7 -9.698 1.687 2.416 1.00 74.43 H new ATOM 0 HE3 TRP A 7 -9.530 5.898 -0.927 1.00 44.21 H new ATOM 0 HZ2 TRP A 7 -11.757 1.671 0.498 1.00 72.55 H new ATOM 0 HZ3 TRP A 7 -11.523 5.060 -2.104 1.00 2.13 H new ATOM 0 HH2 TRP A 7 -12.622 2.973 -1.398 1.00 13.22 H new ATOM 111 N TYR A 8 -5.655 8.056 2.991 1.00 31.15 N ATOM 112 CA TYR A 8 -4.331 8.637 3.179 1.00 24.04 C ATOM 113 C TYR A 8 -4.203 9.265 4.565 1.00 34.34 C ATOM 114 O TYR A 8 -4.814 10.294 4.852 1.00 65.24 O ATOM 115 CB TYR A 8 -4.055 9.689 2.104 1.00 43.14 C ATOM 116 CG TYR A 8 -2.688 10.326 2.216 1.00 41.32 C ATOM 117 CD1 TYR A 8 -2.457 11.367 3.107 1.00 52.51 C ATOM 118 CD2 TYR A 8 -1.629 9.887 1.433 1.00 22.23 C ATOM 119 CE1 TYR A 8 -1.211 11.953 3.213 1.00 22.43 C ATOM 120 CE2 TYR A 8 -0.378 10.465 1.533 1.00 42.04 C ATOM 121 CZ TYR A 8 -0.175 11.498 2.424 1.00 64.04 C ATOM 122 OH TYR A 8 1.070 12.079 2.527 1.00 52.22 O ATOM 0 H TYR A 8 -6.412 8.738 2.943 1.00 31.15 H new ATOM 0 HA TYR A 8 -3.596 7.837 3.093 1.00 24.04 H new ATOM 0 HB2 TYR A 8 -4.152 9.226 1.122 1.00 43.14 H new ATOM 0 HB3 TYR A 8 -4.815 10.467 2.166 1.00 43.14 H new ATOM 0 HD1 TYR A 8 -3.266 11.724 3.727 1.00 52.51 H new ATOM 0 HD2 TYR A 8 -1.786 9.079 0.733 1.00 22.23 H new ATOM 0 HE1 TYR A 8 -1.049 12.762 3.909 1.00 22.43 H new ATOM 0 HE2 TYR A 8 0.435 10.110 0.918 1.00 42.04 H new ATOM 0 HH TYR A 8 1.202 12.410 3.440 1.00 52.22 H new ATOM 131 N LYS A 9 -3.404 8.635 5.420 1.00 41.51 N ATOM 132 CA LYS A 9 -3.193 9.131 6.775 1.00 13.55 C ATOM 133 C LYS A 9 -1.735 8.967 7.193 1.00 31.11 C ATOM 134 O LYS A 9 -1.242 7.856 7.389 1.00 5.40 O ATOM 135 CB LYS A 9 -4.103 8.389 7.759 1.00 65.43 C ATOM 136 CG LYS A 9 -5.567 8.772 7.638 1.00 53.54 C ATOM 137 CD LYS A 9 -5.847 10.120 8.281 1.00 23.42 C ATOM 138 CE LYS A 9 -7.061 10.062 9.195 1.00 75.31 C ATOM 139 NZ LYS A 9 -6.676 10.114 10.632 1.00 11.40 N ATOM 0 H LYS A 9 -2.892 7.781 5.199 1.00 41.51 H new ATOM 0 HA LYS A 9 -3.440 10.193 6.790 1.00 13.55 H new ATOM 0 HB2 LYS A 9 -4.002 7.316 7.596 1.00 65.43 H new ATOM 0 HB3 LYS A 9 -3.766 8.590 8.776 1.00 65.43 H new ATOM 0 HG2 LYS A 9 -5.850 8.804 6.586 1.00 53.54 H new ATOM 0 HG3 LYS A 9 -6.184 8.008 8.110 1.00 53.54 H new ATOM 0 HD2 LYS A 9 -4.975 10.439 8.852 1.00 23.42 H new ATOM 0 HD3 LYS A 9 -6.011 10.867 7.505 1.00 23.42 H new ATOM 0 HE2 LYS A 9 -7.727 10.894 8.967 1.00 75.31 H new ATOM 0 HE3 LYS A 9 -7.618 9.145 9.001 1.00 75.31 H new ATOM 0 HZ1 LYS A 9 -7.531 10.072 11.222 1.00 11.40 H new ATOM 0 HZ2 LYS A 9 -6.061 9.306 10.856 1.00 11.40 H new ATOM 0 HZ3 LYS A 9 -6.167 11.000 10.823 1.00 11.40 H new ATOM 149 N PRO A 10 -1.029 10.098 7.333 1.00 43.10 N ATOM 150 CA PRO A 10 0.383 10.105 7.731 1.00 53.45 C ATOM 151 C PRO A 10 0.576 9.688 9.184 1.00 24.33 C ATOM 152 O PRO A 10 1.556 9.023 9.524 1.00 12.21 O ATOM 153 CB PRO A 10 0.798 11.566 7.534 1.00 34.34 C ATOM 154 CG PRO A 10 -0.467 12.341 7.663 1.00 20.21 C ATOM 155 CD PRO A 10 -1.552 11.457 7.115 1.00 33.12 C ATOM 0 HA PRO A 10 0.975 9.397 7.151 1.00 53.45 H new ATOM 0 HB2 PRO A 10 1.529 11.874 8.282 1.00 34.34 H new ATOM 0 HB3 PRO A 10 1.258 11.719 6.557 1.00 34.34 H new ATOM 0 HG2 PRO A 10 -0.662 12.599 8.704 1.00 20.21 H new ATOM 0 HG3 PRO A 10 -0.409 13.277 7.108 1.00 20.21 H new ATOM 0 HD2 PRO A 10 -2.497 11.612 7.635 1.00 33.12 H new ATOM 0 HD3 PRO A 10 -1.734 11.653 6.058 1.00 33.12 H new ATOM 160 N HIS A 11 -0.361 10.083 10.039 1.00 1.45 N ATOM 161 CA HIS A 11 -0.293 9.747 11.458 1.00 65.13 C ATOM 162 C HIS A 11 -0.657 8.283 11.688 1.00 45.34 C ATOM 163 O HIS A 11 -0.544 7.774 12.804 1.00 31.25 O ATOM 164 CB HIS A 11 -1.227 10.651 12.262 1.00 11.12 C ATOM 165 CG HIS A 11 -0.714 12.048 12.428 1.00 24.53 C ATOM 166 ND1 HIS A 11 -1.529 13.119 12.730 1.00 34.33 N ATOM 167 CD2 HIS A 11 0.541 12.547 12.336 1.00 63.11 C ATOM 168 CE1 HIS A 11 -0.798 14.216 12.813 1.00 13.12 C ATOM 169 NE2 HIS A 11 0.462 13.896 12.579 1.00 72.24 N ATOM 0 H HIS A 11 -1.177 10.636 9.775 1.00 1.45 H new ATOM 0 HA HIS A 11 0.731 9.904 11.796 1.00 65.13 H new ATOM 0 HB2 HIS A 11 -2.198 10.686 11.769 1.00 11.12 H new ATOM 0 HB3 HIS A 11 -1.385 10.212 13.247 1.00 11.12 H new ATOM 0 HD2 HIS A 11 1.438 11.988 12.113 1.00 63.11 H new ATOM 0 HE1 HIS A 11 -1.168 15.206 13.035 1.00 13.12 H new ATOM 0 HE2 HIS A 11 1.248 14.546 12.579 1.00 72.24 H new ATOM 176 N LEU A 12 -1.096 7.615 10.628 1.00 4.14 N ATOM 177 CA LEU A 12 -1.478 6.209 10.715 1.00 63.23 C ATOM 178 C LEU A 12 -0.254 5.324 10.926 1.00 42.34 C ATOM 179 O LEU A 12 0.833 5.624 10.432 1.00 22.31 O ATOM 180 CB LEU A 12 -2.217 5.782 9.447 1.00 54.54 C ATOM 181 CG LEU A 12 -3.398 4.830 9.646 1.00 63.33 C ATOM 182 CD1 LEU A 12 -4.446 5.461 10.549 1.00 45.34 C ATOM 183 CD2 LEU A 12 -4.008 4.448 8.305 1.00 44.33 C ATOM 0 H LEU A 12 -1.197 8.023 9.699 1.00 4.14 H new ATOM 0 HA LEU A 12 -2.141 6.091 11.572 1.00 63.23 H new ATOM 0 HB2 LEU A 12 -2.579 6.678 8.943 1.00 54.54 H new ATOM 0 HB3 LEU A 12 -1.502 5.306 8.776 1.00 54.54 H new ATOM 0 HG LEU A 12 -3.031 3.923 10.127 1.00 63.33 H new ATOM 0 HD11 LEU A 12 -5.278 4.769 10.679 1.00 45.34 H new ATOM 0 HD12 LEU A 12 -4.004 5.683 11.520 1.00 45.34 H new ATOM 0 HD13 LEU A 12 -4.809 6.384 10.096 1.00 45.34 H new ATOM 0 HD21 LEU A 12 -4.846 3.771 8.466 1.00 44.33 H new ATOM 0 HD22 LEU A 12 -4.359 5.346 7.796 1.00 44.33 H new ATOM 0 HD23 LEU A 12 -3.255 3.954 7.691 1.00 44.33 H new ATOM 194 N SER A 13 -0.439 4.232 11.660 1.00 34.25 N ATOM 195 CA SER A 13 0.651 3.304 11.937 1.00 12.34 C ATOM 196 C SER A 13 0.488 2.018 11.131 1.00 53.52 C ATOM 197 O SER A 13 -0.584 1.742 10.593 1.00 40.23 O ATOM 198 CB SER A 13 0.705 2.978 13.432 1.00 72.11 C ATOM 199 OG SER A 13 -0.567 3.141 14.034 1.00 11.43 O ATOM 0 H SER A 13 -1.333 3.968 12.074 1.00 34.25 H new ATOM 0 HA SER A 13 1.585 3.782 11.642 1.00 12.34 H new ATOM 0 HB2 SER A 13 1.049 1.953 13.572 1.00 72.11 H new ATOM 0 HB3 SER A 13 1.430 3.627 13.923 1.00 72.11 H new ATOM 0 HG SER A 13 -0.507 2.925 14.988 1.00 11.43 H new ATOM 204 N ARG A 14 1.559 1.236 11.053 1.00 60.11 N ATOM 205 CA ARG A 14 1.537 -0.019 10.313 1.00 73.31 C ATOM 206 C ARG A 14 0.394 -0.912 10.789 1.00 62.03 C ATOM 207 O ARG A 14 -0.372 -1.440 9.983 1.00 64.32 O ATOM 208 CB ARG A 14 2.870 -0.752 10.470 1.00 33.43 C ATOM 209 CG ARG A 14 2.878 -2.141 9.850 1.00 61.12 C ATOM 210 CD ARG A 14 3.131 -3.216 10.895 1.00 62.12 C ATOM 211 NE ARG A 14 3.823 -4.373 10.333 1.00 13.15 N ATOM 212 CZ ARG A 14 5.133 -4.413 10.117 1.00 45.03 C ATOM 213 NH1 ARG A 14 5.889 -3.365 10.414 1.00 72.23 N ATOM 214 NH2 ARG A 14 5.689 -5.502 9.602 1.00 3.02 N ATOM 0 H ARG A 14 2.454 1.450 11.494 1.00 60.11 H new ATOM 0 HA ARG A 14 1.379 0.213 9.260 1.00 73.31 H new ATOM 0 HB2 ARG A 14 3.659 -0.155 10.013 1.00 33.43 H new ATOM 0 HB3 ARG A 14 3.106 -0.835 11.531 1.00 33.43 H new ATOM 0 HG2 ARG A 14 1.923 -2.327 9.359 1.00 61.12 H new ATOM 0 HG3 ARG A 14 3.648 -2.192 9.080 1.00 61.12 H new ATOM 0 HD2 ARG A 14 3.724 -2.798 11.708 1.00 62.12 H new ATOM 0 HD3 ARG A 14 2.181 -3.535 11.324 1.00 62.12 H new ATOM 0 HE ARG A 14 3.270 -5.196 10.093 1.00 13.15 H new ATOM 0 HH11 ARG A 14 5.465 -2.526 10.809 1.00 72.23 H new ATOM 0 HH12 ARG A 14 6.895 -3.398 10.247 1.00 72.23 H new ATOM 0 HH21 ARG A 14 5.110 -6.310 9.371 1.00 3.02 H new ATOM 0 HH22 ARG A 14 6.695 -5.531 9.437 1.00 3.02 H new ATOM 225 N ASP A 15 0.286 -1.074 12.103 1.00 4.10 N ATOM 226 CA ASP A 15 -0.762 -1.901 12.687 1.00 14.34 C ATOM 227 C ASP A 15 -2.143 -1.419 12.249 1.00 22.11 C ATOM 228 O ASP A 15 -3.018 -2.223 11.931 1.00 14.22 O ATOM 229 CB ASP A 15 -0.664 -1.884 14.213 1.00 32.05 C ATOM 230 CG ASP A 15 -1.126 -3.187 14.837 1.00 43.31 C ATOM 231 OD1 ASP A 15 -2.067 -3.804 14.296 1.00 71.40 O ATOM 232 OD2 ASP A 15 -0.545 -3.589 15.867 1.00 61.21 O ATOM 0 H ASP A 15 0.912 -0.643 12.784 1.00 4.10 H new ATOM 0 HA ASP A 15 -0.624 -2.922 12.333 1.00 14.34 H new ATOM 0 HB2 ASP A 15 0.368 -1.690 14.506 1.00 32.05 H new ATOM 0 HB3 ASP A 15 -1.266 -1.064 14.604 1.00 32.05 H new ATOM 236 N GLN A 16 -2.328 -0.103 12.236 1.00 23.32 N ATOM 237 CA GLN A 16 -3.601 0.485 11.839 1.00 54.21 C ATOM 238 C GLN A 16 -3.923 0.154 10.385 1.00 53.42 C ATOM 239 O GLN A 16 -5.064 -0.159 10.047 1.00 2.31 O ATOM 240 CB GLN A 16 -3.570 2.002 12.034 1.00 13.21 C ATOM 241 CG GLN A 16 -3.945 2.441 13.440 1.00 50.31 C ATOM 242 CD GLN A 16 -5.433 2.685 13.598 1.00 54.10 C ATOM 243 OE1 GLN A 16 -6.190 1.776 13.943 1.00 30.13 O ATOM 244 NE2 GLN A 16 -5.863 3.916 13.345 1.00 24.01 N ATOM 0 H GLN A 16 -1.612 0.576 12.496 1.00 23.32 H new ATOM 0 HA GLN A 16 -4.381 0.061 12.471 1.00 54.21 H new ATOM 0 HB2 GLN A 16 -2.571 2.370 11.802 1.00 13.21 H new ATOM 0 HB3 GLN A 16 -4.254 2.466 11.323 1.00 13.21 H new ATOM 0 HG2 GLN A 16 -3.628 1.678 14.151 1.00 50.31 H new ATOM 0 HG3 GLN A 16 -3.403 3.353 13.688 1.00 50.31 H new ATOM 0 HE21 GLN A 16 -5.202 4.639 13.062 1.00 24.01 H new ATOM 0 HE22 GLN A 16 -6.855 4.138 13.434 1.00 24.01 H new ATOM 251 N ALA A 17 -2.910 0.226 9.529 1.00 62.45 N ATOM 252 CA ALA A 17 -3.085 -0.066 8.111 1.00 31.55 C ATOM 253 C ALA A 17 -3.481 -1.524 7.896 1.00 44.20 C ATOM 254 O ALA A 17 -4.333 -1.828 7.062 1.00 10.22 O ATOM 255 CB ALA A 17 -1.810 0.255 7.345 1.00 35.10 C ATOM 0 H ALA A 17 -1.959 0.484 9.792 1.00 62.45 H new ATOM 0 HA ALA A 17 -3.891 0.562 7.732 1.00 31.55 H new ATOM 0 HB1 ALA A 17 -1.955 0.032 6.288 1.00 35.10 H new ATOM 0 HB2 ALA A 17 -1.570 1.312 7.464 1.00 35.10 H new ATOM 0 HB3 ALA A 17 -0.990 -0.349 7.734 1.00 35.10 H new ATOM 261 N ILE A 18 -2.857 -2.419 8.654 1.00 11.44 N ATOM 262 CA ILE A 18 -3.145 -3.843 8.547 1.00 72.11 C ATOM 263 C ILE A 18 -4.573 -4.151 8.986 1.00 62.24 C ATOM 264 O ILE A 18 -5.269 -4.945 8.355 1.00 54.14 O ATOM 265 CB ILE A 18 -2.169 -4.681 9.394 1.00 60.42 C ATOM 266 CG1 ILE A 18 -0.727 -4.425 8.953 1.00 64.24 C ATOM 267 CG2 ILE A 18 -2.507 -6.160 9.283 1.00 4.43 C ATOM 268 CD1 ILE A 18 0.302 -4.826 9.985 1.00 5.14 C ATOM 0 H ILE A 18 -2.149 -2.183 9.349 1.00 11.44 H new ATOM 0 HA ILE A 18 -3.024 -4.110 7.497 1.00 72.11 H new ATOM 0 HB ILE A 18 -2.269 -4.382 10.438 1.00 60.42 H new ATOM 0 HG12 ILE A 18 -0.536 -4.972 8.030 1.00 64.24 H new ATOM 0 HG13 ILE A 18 -0.608 -3.366 8.726 1.00 64.24 H new ATOM 0 HG21 ILE A 18 -1.809 -6.739 9.887 1.00 4.43 H new ATOM 0 HG22 ILE A 18 -3.523 -6.329 9.641 1.00 4.43 H new ATOM 0 HG23 ILE A 18 -2.432 -6.473 8.242 1.00 4.43 H new ATOM 0 HD11 ILE A 18 1.301 -4.616 9.603 1.00 5.14 H new ATOM 0 HD12 ILE A 18 0.137 -4.260 10.902 1.00 5.14 H new ATOM 0 HD13 ILE A 18 0.211 -5.892 10.195 1.00 5.14 H new ATOM 279 N ALA A 19 -5.003 -3.513 10.070 1.00 13.25 N ATOM 280 CA ALA A 19 -6.350 -3.715 10.591 1.00 70.52 C ATOM 281 C ALA A 19 -7.397 -3.168 9.628 1.00 53.30 C ATOM 282 O ALA A 19 -8.476 -3.744 9.476 1.00 61.21 O ATOM 283 CB ALA A 19 -6.491 -3.058 11.956 1.00 32.54 C ATOM 0 H ALA A 19 -4.439 -2.852 10.604 1.00 13.25 H new ATOM 0 HA ALA A 19 -6.516 -4.787 10.697 1.00 70.52 H new ATOM 0 HB1 ALA A 19 -7.501 -3.216 12.333 1.00 32.54 H new ATOM 0 HB2 ALA A 19 -5.772 -3.498 12.647 1.00 32.54 H new ATOM 0 HB3 ALA A 19 -6.301 -1.988 11.866 1.00 32.54 H new ATOM 289 N LEU A 20 -7.076 -2.053 8.981 1.00 4.52 N ATOM 290 CA LEU A 20 -7.991 -1.428 8.034 1.00 73.25 C ATOM 291 C LEU A 20 -8.083 -2.241 6.746 1.00 3.23 C ATOM 292 O LEU A 20 -9.124 -2.267 6.088 1.00 23.42 O ATOM 293 CB LEU A 20 -7.534 -0.002 7.717 1.00 10.21 C ATOM 294 CG LEU A 20 -8.424 0.791 6.760 1.00 71.45 C ATOM 295 CD1 LEU A 20 -8.724 2.169 7.327 1.00 10.40 C ATOM 296 CD2 LEU A 20 -7.764 0.908 5.393 1.00 34.31 C ATOM 0 H LEU A 20 -6.188 -1.563 9.095 1.00 4.52 H new ATOM 0 HA LEU A 20 -8.979 -1.394 8.492 1.00 73.25 H new ATOM 0 HB2 LEU A 20 -7.459 0.551 8.654 1.00 10.21 H new ATOM 0 HB3 LEU A 20 -6.531 -0.049 7.293 1.00 10.21 H new ATOM 0 HG LEU A 20 -9.366 0.256 6.643 1.00 71.45 H new ATOM 0 HD11 LEU A 20 -9.359 2.718 6.632 1.00 10.40 H new ATOM 0 HD12 LEU A 20 -9.238 2.065 8.283 1.00 10.40 H new ATOM 0 HD13 LEU A 20 -7.791 2.713 7.474 1.00 10.40 H new ATOM 0 HD21 LEU A 20 -8.411 1.475 4.724 1.00 34.31 H new ATOM 0 HD22 LEU A 20 -6.807 1.420 5.494 1.00 34.31 H new ATOM 0 HD23 LEU A 20 -7.601 -0.088 4.981 1.00 34.31 H new ATOM 307 N LEU A 21 -6.988 -2.907 6.396 1.00 73.35 N ATOM 308 CA LEU A 21 -6.945 -3.725 5.188 1.00 73.34 C ATOM 309 C LEU A 21 -7.682 -5.044 5.397 1.00 53.35 C ATOM 310 O LEU A 21 -8.378 -5.527 4.502 1.00 5.32 O ATOM 311 CB LEU A 21 -5.495 -3.997 4.785 1.00 70.24 C ATOM 312 CG LEU A 21 -4.792 -2.881 4.011 1.00 61.21 C ATOM 313 CD1 LEU A 21 -3.333 -3.235 3.769 1.00 73.45 C ATOM 314 CD2 LEU A 21 -5.504 -2.616 2.693 1.00 43.02 C ATOM 0 H LEU A 21 -6.119 -2.897 6.930 1.00 73.35 H new ATOM 0 HA LEU A 21 -7.442 -3.175 4.388 1.00 73.34 H new ATOM 0 HB2 LEU A 21 -4.921 -4.203 5.688 1.00 70.24 H new ATOM 0 HB3 LEU A 21 -5.471 -4.903 4.179 1.00 70.24 H new ATOM 0 HG LEU A 21 -4.829 -1.971 4.610 1.00 61.21 H new ATOM 0 HD11 LEU A 21 -2.850 -2.429 3.217 1.00 73.45 H new ATOM 0 HD12 LEU A 21 -2.829 -3.373 4.725 1.00 73.45 H new ATOM 0 HD13 LEU A 21 -3.273 -4.157 3.191 1.00 73.45 H new ATOM 0 HD21 LEU A 21 -4.990 -1.819 2.156 1.00 43.02 H new ATOM 0 HD22 LEU A 21 -5.500 -3.523 2.088 1.00 43.02 H new ATOM 0 HD23 LEU A 21 -6.533 -2.316 2.889 1.00 43.02 H new ATOM 325 N LYS A 22 -7.528 -5.620 6.584 1.00 35.12 N ATOM 326 CA LYS A 22 -8.182 -6.881 6.913 1.00 55.33 C ATOM 327 C LYS A 22 -9.662 -6.663 7.218 1.00 24.45 C ATOM 328 O LYS A 22 -10.432 -7.619 7.311 1.00 53.32 O ATOM 329 CB LYS A 22 -7.494 -7.539 8.111 1.00 41.44 C ATOM 330 CG LYS A 22 -7.824 -6.879 9.439 1.00 30.01 C ATOM 331 CD LYS A 22 -7.073 -7.531 10.587 1.00 22.52 C ATOM 332 CE LYS A 22 -8.026 -8.183 11.578 1.00 63.44 C ATOM 333 NZ LYS A 22 -7.330 -9.169 12.450 1.00 32.43 N ATOM 0 H LYS A 22 -6.956 -5.234 7.335 1.00 35.12 H new ATOM 0 HA LYS A 22 -8.101 -7.540 6.049 1.00 55.33 H new ATOM 0 HB2 LYS A 22 -7.784 -8.589 8.154 1.00 41.44 H new ATOM 0 HB3 LYS A 22 -6.415 -7.512 7.960 1.00 41.44 H new ATOM 0 HG2 LYS A 22 -7.571 -5.820 9.393 1.00 30.01 H new ATOM 0 HG3 LYS A 22 -8.897 -6.943 9.622 1.00 30.01 H new ATOM 0 HD2 LYS A 22 -6.386 -8.281 10.194 1.00 22.52 H new ATOM 0 HD3 LYS A 22 -6.469 -6.782 11.100 1.00 22.52 H new ATOM 0 HE2 LYS A 22 -8.489 -7.414 12.197 1.00 63.44 H new ATOM 0 HE3 LYS A 22 -8.829 -8.681 11.035 1.00 63.44 H new ATOM 0 HZ1 LYS A 22 -7.819 -10.085 12.397 1.00 32.43 H new ATOM 0 HZ2 LYS A 22 -6.347 -9.282 12.130 1.00 32.43 H new ATOM 0 HZ3 LYS A 22 -7.338 -8.829 13.433 1.00 32.43 H new ATOM 343 N ASP A 23 -10.050 -5.403 7.372 1.00 63.32 N ATOM 344 CA ASP A 23 -11.436 -5.060 7.664 1.00 11.11 C ATOM 345 C ASP A 23 -12.094 -4.383 6.466 1.00 21.24 C ATOM 346 O ASP A 23 -13.254 -3.976 6.527 1.00 3.33 O ATOM 347 CB ASP A 23 -11.511 -4.144 8.887 1.00 13.34 C ATOM 348 CG ASP A 23 -12.919 -4.030 9.439 1.00 43.25 C ATOM 349 OD1 ASP A 23 -13.403 -5.011 10.040 1.00 33.34 O ATOM 350 OD2 ASP A 23 -13.535 -2.956 9.271 1.00 34.32 O ATOM 0 H ASP A 23 -9.424 -4.601 7.299 1.00 63.32 H new ATOM 0 HA ASP A 23 -11.974 -5.983 7.877 1.00 11.11 H new ATOM 0 HB2 ASP A 23 -10.849 -4.525 9.664 1.00 13.34 H new ATOM 0 HB3 ASP A 23 -11.148 -3.152 8.617 1.00 13.34 H new ATOM 354 N LYS A 24 -11.343 -4.264 5.376 1.00 42.23 N ATOM 355 CA LYS A 24 -11.851 -3.636 4.162 1.00 74.50 C ATOM 356 C LYS A 24 -11.837 -4.618 2.994 1.00 70.21 C ATOM 357 O LYS A 24 -11.089 -5.596 3.003 1.00 63.11 O ATOM 358 CB LYS A 24 -11.017 -2.401 3.814 1.00 30.11 C ATOM 359 CG LYS A 24 -11.378 -1.173 4.631 1.00 23.21 C ATOM 360 CD LYS A 24 -12.481 -0.366 3.967 1.00 11.44 C ATOM 361 CE LYS A 24 -13.386 0.293 4.997 1.00 11.03 C ATOM 362 NZ LYS A 24 -12.775 1.529 5.561 1.00 51.21 N ATOM 0 H LYS A 24 -10.380 -4.594 5.309 1.00 42.23 H new ATOM 0 HA LYS A 24 -12.881 -3.331 4.345 1.00 74.50 H new ATOM 0 HB2 LYS A 24 -9.962 -2.631 3.966 1.00 30.11 H new ATOM 0 HB3 LYS A 24 -11.145 -2.173 2.756 1.00 30.11 H new ATOM 0 HG2 LYS A 24 -11.699 -1.479 5.627 1.00 23.21 H new ATOM 0 HG3 LYS A 24 -10.495 -0.547 4.759 1.00 23.21 H new ATOM 0 HD2 LYS A 24 -12.040 0.398 3.327 1.00 11.44 H new ATOM 0 HD3 LYS A 24 -13.073 -1.017 3.324 1.00 11.44 H new ATOM 0 HE2 LYS A 24 -14.343 0.538 4.536 1.00 11.03 H new ATOM 0 HE3 LYS A 24 -13.592 -0.411 5.803 1.00 11.03 H new ATOM 0 HZ1 LYS A 24 -13.422 1.949 6.259 1.00 51.21 H new ATOM 0 HZ2 LYS A 24 -11.874 1.291 6.023 1.00 51.21 H new ATOM 0 HZ3 LYS A 24 -12.602 2.211 4.795 1.00 51.21 H new ATOM 372 N ASP A 25 -12.665 -4.349 1.992 1.00 35.22 N ATOM 373 CA ASP A 25 -12.745 -5.208 0.816 1.00 73.31 C ATOM 374 C ASP A 25 -11.360 -5.453 0.225 1.00 51.45 C ATOM 375 O ASP A 25 -10.427 -4.676 0.428 1.00 42.15 O ATOM 376 CB ASP A 25 -13.660 -4.582 -0.239 1.00 23.42 C ATOM 377 CG ASP A 25 -15.089 -5.077 -0.133 1.00 62.23 C ATOM 378 OD1 ASP A 25 -15.693 -4.921 0.949 1.00 63.11 O ATOM 379 OD2 ASP A 25 -15.604 -5.620 -1.133 1.00 63.24 O ATOM 0 H ASP A 25 -13.290 -3.544 1.970 1.00 35.22 H new ATOM 0 HA ASP A 25 -13.162 -6.166 1.125 1.00 73.31 H new ATOM 0 HB2 ASP A 25 -13.645 -3.497 -0.131 1.00 23.42 H new ATOM 0 HB3 ASP A 25 -13.273 -4.809 -1.232 1.00 23.42 H new ATOM 383 N PRO A 26 -11.221 -6.557 -0.523 1.00 21.33 N ATOM 384 CA PRO A 26 -9.953 -6.929 -1.158 1.00 2.04 C ATOM 385 C PRO A 26 -9.579 -5.990 -2.300 1.00 13.41 C ATOM 386 O PRO A 26 -10.439 -5.553 -3.063 1.00 44.35 O ATOM 387 CB PRO A 26 -10.223 -8.339 -1.691 1.00 1.51 C ATOM 388 CG PRO A 26 -11.699 -8.394 -1.884 1.00 41.52 C ATOM 389 CD PRO A 26 -12.292 -7.528 -0.807 1.00 65.03 C ATOM 0 HA PRO A 26 -9.117 -6.875 -0.461 1.00 2.04 H new ATOM 0 HB2 PRO A 26 -9.694 -8.516 -2.628 1.00 1.51 H new ATOM 0 HB3 PRO A 26 -9.887 -9.100 -0.986 1.00 1.51 H new ATOM 0 HG2 PRO A 26 -11.977 -8.031 -2.873 1.00 41.52 H new ATOM 0 HG3 PRO A 26 -12.064 -9.418 -1.806 1.00 41.52 H new ATOM 0 HD2 PRO A 26 -13.203 -7.034 -1.144 1.00 65.03 H new ATOM 0 HD3 PRO A 26 -12.553 -8.109 0.078 1.00 65.03 H new ATOM 394 N GLY A 27 -8.290 -5.686 -2.412 1.00 4.23 N ATOM 395 CA GLY A 27 -7.825 -4.800 -3.464 1.00 15.13 C ATOM 396 C GLY A 27 -7.629 -3.378 -2.980 1.00 23.35 C ATOM 397 O GLY A 27 -6.953 -2.582 -3.632 1.00 10.32 O ATOM 0 H GLY A 27 -7.559 -6.037 -1.793 1.00 4.23 H new ATOM 0 HA2 GLY A 27 -6.884 -5.178 -3.863 1.00 15.13 H new ATOM 0 HA3 GLY A 27 -8.544 -4.806 -4.284 1.00 15.13 H new ATOM 401 N ALA A 28 -8.220 -3.057 -1.835 1.00 4.41 N ATOM 402 CA ALA A 28 -8.106 -1.720 -1.264 1.00 22.24 C ATOM 403 C ALA A 28 -6.695 -1.465 -0.741 1.00 73.42 C ATOM 404 O ALA A 28 -6.005 -2.389 -0.310 1.00 15.42 O ATOM 405 CB ALA A 28 -9.124 -1.533 -0.150 1.00 11.04 C ATOM 0 H ALA A 28 -8.783 -3.704 -1.284 1.00 4.41 H new ATOM 0 HA ALA A 28 -8.310 -0.996 -2.053 1.00 22.24 H new ATOM 0 HB1 ALA A 28 -9.027 -0.531 0.267 1.00 11.04 H new ATOM 0 HB2 ALA A 28 -10.129 -1.664 -0.550 1.00 11.04 H new ATOM 0 HB3 ALA A 28 -8.946 -2.270 0.633 1.00 11.04 H new ATOM 411 N PHE A 29 -6.272 -0.207 -0.785 1.00 41.13 N ATOM 412 CA PHE A 29 -4.944 0.170 -0.318 1.00 23.13 C ATOM 413 C PHE A 29 -4.995 1.467 0.485 1.00 53.54 C ATOM 414 O PHE A 29 -6.015 2.159 0.502 1.00 23.32 O ATOM 415 CB PHE A 29 -3.988 0.329 -1.503 1.00 13.13 C ATOM 416 CG PHE A 29 -4.230 1.575 -2.304 1.00 43.34 C ATOM 417 CD1 PHE A 29 -5.408 1.741 -3.016 1.00 4.40 C ATOM 418 CD2 PHE A 29 -3.280 2.583 -2.346 1.00 40.44 C ATOM 419 CE1 PHE A 29 -5.633 2.887 -3.754 1.00 73.51 C ATOM 420 CE2 PHE A 29 -3.500 3.732 -3.083 1.00 4.11 C ATOM 421 CZ PHE A 29 -4.677 3.884 -3.787 1.00 52.33 C ATOM 0 H PHE A 29 -6.830 0.570 -1.140 1.00 41.13 H new ATOM 0 HA PHE A 29 -4.578 -0.625 0.332 1.00 23.13 H new ATOM 0 HB2 PHE A 29 -2.962 0.337 -1.134 1.00 13.13 H new ATOM 0 HB3 PHE A 29 -4.084 -0.538 -2.156 1.00 13.13 H new ATOM 0 HD1 PHE A 29 -6.159 0.965 -2.993 1.00 4.40 H new ATOM 0 HD2 PHE A 29 -2.357 2.470 -1.797 1.00 40.44 H new ATOM 0 HE1 PHE A 29 -6.555 3.003 -4.304 1.00 73.51 H new ATOM 0 HE2 PHE A 29 -2.751 4.510 -3.108 1.00 4.11 H new ATOM 0 HZ PHE A 29 -4.851 4.781 -4.363 1.00 52.33 H new ATOM 430 N LEU A 30 -3.891 1.789 1.149 1.00 43.33 N ATOM 431 CA LEU A 30 -3.810 3.003 1.954 1.00 12.31 C ATOM 432 C LEU A 30 -2.374 3.510 2.032 1.00 62.22 C ATOM 433 O LEU A 30 -1.425 2.746 1.851 1.00 60.13 O ATOM 434 CB LEU A 30 -4.348 2.741 3.362 1.00 24.21 C ATOM 435 CG LEU A 30 -3.486 1.847 4.254 1.00 32.31 C ATOM 436 CD1 LEU A 30 -2.783 2.673 5.319 1.00 22.23 C ATOM 437 CD2 LEU A 30 -4.334 0.757 4.894 1.00 24.34 C ATOM 0 H LEU A 30 -3.040 1.227 1.146 1.00 43.33 H new ATOM 0 HA LEU A 30 -4.420 3.769 1.475 1.00 12.31 H new ATOM 0 HB2 LEU A 30 -4.481 3.700 3.863 1.00 24.21 H new ATOM 0 HB3 LEU A 30 -5.335 2.288 3.274 1.00 24.21 H new ATOM 0 HG LEU A 30 -2.726 1.372 3.634 1.00 32.31 H new ATOM 0 HD11 LEU A 30 -2.175 2.019 5.944 1.00 22.23 H new ATOM 0 HD12 LEU A 30 -2.144 3.415 4.841 1.00 22.23 H new ATOM 0 HD13 LEU A 30 -3.526 3.177 5.937 1.00 22.23 H new ATOM 0 HD21 LEU A 30 -3.705 0.130 5.525 1.00 24.34 H new ATOM 0 HD22 LEU A 30 -5.116 1.214 5.501 1.00 24.34 H new ATOM 0 HD23 LEU A 30 -4.789 0.146 4.115 1.00 24.34 H new ATOM 448 N ILE A 31 -2.220 4.802 2.304 1.00 13.54 N ATOM 449 CA ILE A 31 -0.900 5.409 2.410 1.00 73.42 C ATOM 450 C ILE A 31 -0.654 5.949 3.814 1.00 52.34 C ATOM 451 O ILE A 31 -1.552 6.516 4.438 1.00 61.43 O ATOM 452 CB ILE A 31 -0.724 6.553 1.392 1.00 10.15 C ATOM 453 CG1 ILE A 31 -0.881 6.024 -0.034 1.00 73.24 C ATOM 454 CG2 ILE A 31 0.634 7.215 1.572 1.00 10.30 C ATOM 455 CD1 ILE A 31 0.191 5.034 -0.434 1.00 41.43 C ATOM 0 H ILE A 31 -2.994 5.448 2.455 1.00 13.54 H new ATOM 0 HA ILE A 31 -0.173 4.626 2.193 1.00 73.42 H new ATOM 0 HB ILE A 31 -1.497 7.301 1.568 1.00 10.15 H new ATOM 0 HG12 ILE A 31 -1.857 5.549 -0.131 1.00 73.24 H new ATOM 0 HG13 ILE A 31 -0.865 6.864 -0.728 1.00 73.24 H new ATOM 0 HG21 ILE A 31 0.745 8.021 0.847 1.00 10.30 H new ATOM 0 HG22 ILE A 31 0.710 7.621 2.581 1.00 10.30 H new ATOM 0 HG23 ILE A 31 1.422 6.477 1.418 1.00 10.30 H new ATOM 0 HD11 ILE A 31 0.016 4.702 -1.457 1.00 41.43 H new ATOM 0 HD12 ILE A 31 1.169 5.511 -0.370 1.00 41.43 H new ATOM 0 HD13 ILE A 31 0.162 4.175 0.237 1.00 41.43 H new ATOM 466 N ARG A 32 0.569 5.773 4.304 1.00 1.43 N ATOM 467 CA ARG A 32 0.933 6.243 5.634 1.00 44.32 C ATOM 468 C ARG A 32 2.342 6.831 5.636 1.00 11.12 C ATOM 469 O ARG A 32 3.119 6.609 4.707 1.00 52.52 O ATOM 470 CB ARG A 32 0.846 5.099 6.645 1.00 1.15 C ATOM 471 CG ARG A 32 1.876 4.004 6.417 1.00 4.33 C ATOM 472 CD ARG A 32 1.317 2.632 6.760 1.00 45.33 C ATOM 473 NE ARG A 32 2.252 1.562 6.425 1.00 14.15 N ATOM 474 CZ ARG A 32 3.338 1.284 7.138 1.00 71.20 C ATOM 475 NH1 ARG A 32 3.624 1.996 8.220 1.00 70.12 N ATOM 476 NH2 ARG A 32 4.140 0.293 6.770 1.00 51.12 N ATOM 0 H ARG A 32 1.324 5.308 3.799 1.00 1.43 H new ATOM 0 HA ARG A 32 0.230 7.025 5.920 1.00 44.32 H new ATOM 0 HB2 ARG A 32 0.974 5.503 7.649 1.00 1.15 H new ATOM 0 HB3 ARG A 32 -0.152 4.662 6.602 1.00 1.15 H new ATOM 0 HG2 ARG A 32 2.198 4.017 5.376 1.00 4.33 H new ATOM 0 HG3 ARG A 32 2.759 4.201 7.026 1.00 4.33 H new ATOM 0 HD2 ARG A 32 1.085 2.591 7.824 1.00 45.33 H new ATOM 0 HD3 ARG A 32 0.381 2.477 6.223 1.00 45.33 H new ATOM 0 HE ARG A 32 2.061 0.997 5.598 1.00 14.15 H new ATOM 0 HH11 ARG A 32 3.010 2.758 8.506 1.00 70.12 H new ATOM 0 HH12 ARG A 32 4.458 1.781 8.766 1.00 70.12 H new ATOM 0 HH21 ARG A 32 3.923 -0.257 5.939 1.00 51.12 H new ATOM 0 HH22 ARG A 32 4.973 0.081 7.319 1.00 51.12 H new ATOM 487 N ASP A 33 2.663 7.581 6.684 1.00 1.40 N ATOM 488 CA ASP A 33 3.978 8.200 6.807 1.00 42.50 C ATOM 489 C ASP A 33 5.051 7.148 7.068 1.00 61.24 C ATOM 490 O ASP A 33 5.003 6.431 8.066 1.00 0.34 O ATOM 491 CB ASP A 33 3.974 9.234 7.936 1.00 31.11 C ATOM 492 CG ASP A 33 5.254 10.044 7.981 1.00 43.14 C ATOM 493 OD1 ASP A 33 5.693 10.520 6.913 1.00 63.30 O ATOM 494 OD2 ASP A 33 5.817 10.203 9.085 1.00 63.55 O ATOM 0 H ASP A 33 2.031 7.775 7.461 1.00 1.40 H new ATOM 0 HA ASP A 33 4.207 8.701 5.866 1.00 42.50 H new ATOM 0 HB2 ASP A 33 3.126 9.906 7.806 1.00 31.11 H new ATOM 0 HB3 ASP A 33 3.835 8.726 8.890 1.00 31.11 H new ATOM 498 N SER A 34 6.020 7.062 6.161 1.00 73.15 N ATOM 499 CA SER A 34 7.104 6.095 6.289 1.00 53.42 C ATOM 500 C SER A 34 8.238 6.660 7.138 1.00 13.14 C ATOM 501 O SER A 34 9.154 7.302 6.624 1.00 13.01 O ATOM 502 CB SER A 34 7.632 5.703 4.908 1.00 52.41 C ATOM 503 OG SER A 34 8.240 4.423 4.939 1.00 1.31 O ATOM 0 H SER A 34 6.076 7.651 5.330 1.00 73.15 H new ATOM 0 HA SER A 34 6.710 5.208 6.784 1.00 53.42 H new ATOM 0 HB2 SER A 34 6.813 5.703 4.189 1.00 52.41 H new ATOM 0 HB3 SER A 34 8.355 6.444 4.568 1.00 52.41 H new ATOM 0 HG SER A 34 8.950 4.415 5.614 1.00 1.31 H new ATOM 508 N HIS A 35 8.170 6.415 8.443 1.00 54.43 N ATOM 509 CA HIS A 35 9.191 6.899 9.366 1.00 31.13 C ATOM 510 C HIS A 35 10.505 6.148 9.164 1.00 50.14 C ATOM 511 O HIS A 35 11.546 6.549 9.685 1.00 53.51 O ATOM 512 CB HIS A 35 8.718 6.741 10.811 1.00 42.12 C ATOM 513 CG HIS A 35 8.391 5.328 11.184 1.00 52.31 C ATOM 514 ND1 HIS A 35 9.354 4.384 11.470 1.00 14.55 N ATOM 515 CD2 HIS A 35 7.198 4.702 11.319 1.00 21.20 C ATOM 516 CE1 HIS A 35 8.767 3.236 11.764 1.00 61.45 C ATOM 517 NE2 HIS A 35 7.460 3.403 11.679 1.00 11.41 N ATOM 0 H HIS A 35 7.419 5.885 8.885 1.00 54.43 H new ATOM 0 HA HIS A 35 9.361 7.956 9.160 1.00 31.13 H new ATOM 0 HB2 HIS A 35 9.492 7.115 11.481 1.00 42.12 H new ATOM 0 HB3 HIS A 35 7.836 7.362 10.966 1.00 42.12 H new ATOM 0 HD2 HIS A 35 6.223 5.142 11.171 1.00 21.20 H new ATOM 0 HE1 HIS A 35 9.271 2.318 12.029 1.00 61.45 H new ATOM 0 HE2 HIS A 35 6.758 2.683 11.853 1.00 11.41 H new ATOM 524 N SER A 36 10.447 5.060 8.404 1.00 22.42 N ATOM 525 CA SER A 36 11.631 4.251 8.136 1.00 2.40 C ATOM 526 C SER A 36 12.775 5.117 7.618 1.00 64.11 C ATOM 527 O SER A 36 13.846 5.180 8.224 1.00 74.43 O ATOM 528 CB SER A 36 11.307 3.154 7.121 1.00 5.21 C ATOM 529 OG SER A 36 10.443 3.637 6.107 1.00 62.11 O ATOM 0 H SER A 36 9.593 4.718 7.963 1.00 22.42 H new ATOM 0 HA SER A 36 11.943 3.788 9.072 1.00 2.40 H new ATOM 0 HB2 SER A 36 12.229 2.785 6.672 1.00 5.21 H new ATOM 0 HB3 SER A 36 10.840 2.310 7.629 1.00 5.21 H new ATOM 0 HG SER A 36 10.252 2.917 5.470 1.00 62.11 H new ATOM 534 N PHE A 37 12.540 5.786 6.494 1.00 21.22 N ATOM 535 CA PHE A 37 13.550 6.649 5.892 1.00 0.51 C ATOM 536 C PHE A 37 12.918 7.925 5.345 1.00 65.12 C ATOM 537 O PHE A 37 11.723 7.963 5.056 1.00 53.34 O ATOM 538 CB PHE A 37 14.282 5.908 4.771 1.00 33.25 C ATOM 539 CG PHE A 37 15.452 5.099 5.252 1.00 23.41 C ATOM 540 CD1 PHE A 37 16.476 5.695 5.970 1.00 51.14 C ATOM 541 CD2 PHE A 37 15.529 3.741 4.984 1.00 0.43 C ATOM 542 CE1 PHE A 37 17.554 4.953 6.414 1.00 43.40 C ATOM 543 CE2 PHE A 37 16.605 2.994 5.426 1.00 51.10 C ATOM 544 CZ PHE A 37 17.619 3.601 6.141 1.00 54.14 C ATOM 0 H PHE A 37 11.659 5.747 5.982 1.00 21.22 H new ATOM 0 HA PHE A 37 14.267 6.922 6.666 1.00 0.51 H new ATOM 0 HB2 PHE A 37 13.579 5.248 4.263 1.00 33.25 H new ATOM 0 HB3 PHE A 37 14.629 6.632 4.034 1.00 33.25 H new ATOM 0 HD1 PHE A 37 16.431 6.752 6.185 1.00 51.14 H new ATOM 0 HD2 PHE A 37 14.740 3.261 4.424 1.00 0.43 H new ATOM 0 HE1 PHE A 37 18.345 5.430 6.974 1.00 43.40 H new ATOM 0 HE2 PHE A 37 16.653 1.936 5.212 1.00 51.10 H new ATOM 0 HZ PHE A 37 18.461 3.019 6.486 1.00 54.14 H new ATOM 553 N GLN A 38 13.731 8.968 5.208 1.00 50.23 N ATOM 554 CA GLN A 38 13.252 10.247 4.697 1.00 43.31 C ATOM 555 C GLN A 38 12.799 10.120 3.246 1.00 1.41 C ATOM 556 O GLN A 38 13.370 9.351 2.473 1.00 1.53 O ATOM 557 CB GLN A 38 14.348 11.308 4.810 1.00 45.44 C ATOM 558 CG GLN A 38 14.148 12.267 5.973 1.00 44.21 C ATOM 559 CD GLN A 38 14.626 13.672 5.661 1.00 32.23 C ATOM 560 OE1 GLN A 38 15.307 13.900 4.660 1.00 12.53 O ATOM 561 NE2 GLN A 38 14.271 14.623 6.517 1.00 34.12 N ATOM 0 H GLN A 38 14.723 8.952 5.443 1.00 50.23 H new ATOM 0 HA GLN A 38 12.397 10.552 5.300 1.00 43.31 H new ATOM 0 HB2 GLN A 38 15.312 10.812 4.920 1.00 45.44 H new ATOM 0 HB3 GLN A 38 14.387 11.878 3.882 1.00 45.44 H new ATOM 0 HG2 GLN A 38 13.091 12.297 6.236 1.00 44.21 H new ATOM 0 HG3 GLN A 38 14.683 11.891 6.845 1.00 44.21 H new ATOM 0 HE21 GLN A 38 13.706 14.389 7.333 1.00 34.12 H new ATOM 0 HE22 GLN A 38 14.563 15.587 6.358 1.00 34.12 H new ATOM 568 N GLY A 39 11.769 10.878 2.884 1.00 52.03 N ATOM 569 CA GLY A 39 11.257 10.835 1.527 1.00 21.23 C ATOM 570 C GLY A 39 10.710 9.470 1.157 1.00 22.15 C ATOM 571 O GLY A 39 10.871 9.015 0.025 1.00 44.32 O ATOM 0 H GLY A 39 11.280 11.521 3.506 1.00 52.03 H new ATOM 0 HA2 GLY A 39 10.470 11.581 1.415 1.00 21.23 H new ATOM 0 HA3 GLY A 39 12.053 11.105 0.833 1.00 21.23 H new ATOM 575 N ALA A 40 10.064 8.813 2.116 1.00 24.52 N ATOM 576 CA ALA A 40 9.492 7.492 1.885 1.00 61.30 C ATOM 577 C ALA A 40 8.030 7.446 2.312 1.00 11.24 C ATOM 578 O ALA A 40 7.622 8.144 3.240 1.00 51.30 O ATOM 579 CB ALA A 40 10.295 6.433 2.625 1.00 63.14 C ATOM 0 H ALA A 40 9.924 9.174 3.060 1.00 24.52 H new ATOM 0 HA ALA A 40 9.537 7.284 0.816 1.00 61.30 H new ATOM 0 HB1 ALA A 40 9.857 5.452 2.444 1.00 63.14 H new ATOM 0 HB2 ALA A 40 11.325 6.442 2.268 1.00 63.14 H new ATOM 0 HB3 ALA A 40 10.279 6.645 3.694 1.00 63.14 H new ATOM 585 N TYR A 41 7.245 6.619 1.631 1.00 75.43 N ATOM 586 CA TYR A 41 5.827 6.483 1.938 1.00 43.31 C ATOM 587 C TYR A 41 5.437 5.014 2.074 1.00 40.42 C ATOM 588 O TYR A 41 5.781 4.188 1.231 1.00 23.22 O ATOM 589 CB TYR A 41 4.982 7.148 0.850 1.00 53.01 C ATOM 590 CG TYR A 41 5.017 8.658 0.894 1.00 44.32 C ATOM 591 CD1 TYR A 41 6.171 9.356 0.556 1.00 3.51 C ATOM 592 CD2 TYR A 41 3.897 9.389 1.273 1.00 60.31 C ATOM 593 CE1 TYR A 41 6.208 10.736 0.597 1.00 43.33 C ATOM 594 CE2 TYR A 41 3.925 10.769 1.314 1.00 51.04 C ATOM 595 CZ TYR A 41 5.083 11.438 0.975 1.00 45.54 C ATOM 596 OH TYR A 41 5.116 12.814 1.016 1.00 54.12 O ATOM 0 H TYR A 41 7.568 6.032 0.862 1.00 75.43 H new ATOM 0 HA TYR A 41 5.638 6.980 2.890 1.00 43.31 H new ATOM 0 HB2 TYR A 41 5.333 6.813 -0.126 1.00 53.01 H new ATOM 0 HB3 TYR A 41 3.949 6.814 0.949 1.00 53.01 H new ATOM 0 HD1 TYR A 41 7.053 8.810 0.256 1.00 3.51 H new ATOM 0 HD2 TYR A 41 2.989 8.869 1.540 1.00 60.31 H new ATOM 0 HE1 TYR A 41 7.114 11.263 0.334 1.00 43.33 H new ATOM 0 HE2 TYR A 41 3.045 11.321 1.610 1.00 51.04 H new ATOM 0 HH TYR A 41 4.242 13.154 1.301 1.00 54.12 H new ATOM 605 N GLY A 42 4.713 4.698 3.143 1.00 14.24 N ATOM 606 CA GLY A 42 4.285 3.330 3.372 1.00 25.54 C ATOM 607 C GLY A 42 2.995 2.997 2.650 1.00 14.25 C ATOM 608 O GLY A 42 1.943 3.562 2.951 1.00 14.23 O ATOM 0 H GLY A 42 4.415 5.365 3.855 1.00 14.24 H new ATOM 0 HA2 GLY A 42 5.069 2.648 3.043 1.00 25.54 H new ATOM 0 HA3 GLY A 42 4.151 3.169 4.442 1.00 25.54 H new ATOM 612 N LEU A 43 3.074 2.078 1.693 1.00 43.43 N ATOM 613 CA LEU A 43 1.903 1.672 0.925 1.00 30.20 C ATOM 614 C LEU A 43 1.428 0.286 1.349 1.00 51.30 C ATOM 615 O LEU A 43 2.189 -0.679 1.315 1.00 32.24 O ATOM 616 CB LEU A 43 2.223 1.678 -0.572 1.00 4.45 C ATOM 617 CG LEU A 43 1.137 1.120 -1.492 1.00 14.11 C ATOM 618 CD1 LEU A 43 0.222 2.235 -1.974 1.00 52.41 C ATOM 619 CD2 LEU A 43 1.762 0.393 -2.674 1.00 1.02 C ATOM 0 H LEU A 43 3.937 1.601 1.431 1.00 43.43 H new ATOM 0 HA LEU A 43 1.104 2.386 1.123 1.00 30.20 H new ATOM 0 HB2 LEU A 43 2.435 2.704 -0.874 1.00 4.45 H new ATOM 0 HB3 LEU A 43 3.136 1.104 -0.730 1.00 4.45 H new ATOM 0 HG LEU A 43 0.539 0.406 -0.926 1.00 14.11 H new ATOM 0 HD11 LEU A 43 -0.545 1.819 -2.628 1.00 52.41 H new ATOM 0 HD12 LEU A 43 -0.252 2.713 -1.117 1.00 52.41 H new ATOM 0 HD13 LEU A 43 0.806 2.973 -2.524 1.00 52.41 H new ATOM 0 HD21 LEU A 43 0.975 0.002 -3.318 1.00 1.02 H new ATOM 0 HD22 LEU A 43 2.384 1.086 -3.240 1.00 1.02 H new ATOM 0 HD23 LEU A 43 2.376 -0.431 -2.311 1.00 1.02 H new ATOM 630 N ALA A 44 0.162 0.196 1.746 1.00 71.24 N ATOM 631 CA ALA A 44 -0.416 -1.072 2.173 1.00 71.41 C ATOM 632 C ALA A 44 -1.542 -1.504 1.238 1.00 0.45 C ATOM 633 O ALA A 44 -2.359 -0.686 0.815 1.00 40.33 O ATOM 634 CB ALA A 44 -0.925 -0.966 3.602 1.00 20.13 C ATOM 0 H ALA A 44 -0.482 0.986 1.781 1.00 71.24 H new ATOM 0 HA ALA A 44 0.365 -1.831 2.134 1.00 71.41 H new ATOM 0 HB1 ALA A 44 -1.354 -1.920 3.907 1.00 20.13 H new ATOM 0 HB2 ALA A 44 -0.098 -0.711 4.265 1.00 20.13 H new ATOM 0 HB3 ALA A 44 -1.688 -0.190 3.660 1.00 20.13 H new ATOM 640 N LEU A 45 -1.579 -2.793 0.921 1.00 53.21 N ATOM 641 CA LEU A 45 -2.606 -3.333 0.036 1.00 24.33 C ATOM 642 C LEU A 45 -3.169 -4.639 0.590 1.00 75.13 C ATOM 643 O LEU A 45 -2.443 -5.442 1.175 1.00 11.14 O ATOM 644 CB LEU A 45 -2.031 -3.565 -1.362 1.00 0.23 C ATOM 645 CG LEU A 45 -2.967 -4.235 -2.370 1.00 65.51 C ATOM 646 CD1 LEU A 45 -4.295 -3.499 -2.436 1.00 50.34 C ATOM 647 CD2 LEU A 45 -2.316 -4.291 -3.745 1.00 53.41 C ATOM 0 H LEU A 45 -0.911 -3.484 1.263 1.00 53.21 H new ATOM 0 HA LEU A 45 -3.416 -2.607 -0.027 1.00 24.33 H new ATOM 0 HB2 LEU A 45 -1.720 -2.603 -1.769 1.00 0.23 H new ATOM 0 HB3 LEU A 45 -1.134 -4.177 -1.267 1.00 0.23 H new ATOM 0 HG LEU A 45 -3.158 -5.256 -2.038 1.00 65.51 H new ATOM 0 HD11 LEU A 45 -4.948 -3.990 -3.158 1.00 50.34 H new ATOM 0 HD12 LEU A 45 -4.767 -3.511 -1.454 1.00 50.34 H new ATOM 0 HD13 LEU A 45 -4.124 -2.467 -2.744 1.00 50.34 H new ATOM 0 HD21 LEU A 45 -2.995 -4.771 -4.450 1.00 53.41 H new ATOM 0 HD22 LEU A 45 -2.096 -3.279 -4.085 1.00 53.41 H new ATOM 0 HD23 LEU A 45 -1.390 -4.864 -3.686 1.00 53.41 H new ATOM 658 N LYS A 46 -4.467 -4.845 0.398 1.00 75.03 N ATOM 659 CA LYS A 46 -5.129 -6.054 0.873 1.00 14.45 C ATOM 660 C LYS A 46 -5.302 -7.061 -0.259 1.00 62.41 C ATOM 661 O LYS A 46 -5.754 -6.713 -1.349 1.00 53.51 O ATOM 662 CB LYS A 46 -6.493 -5.710 1.477 1.00 53.21 C ATOM 663 CG LYS A 46 -7.336 -6.928 1.810 1.00 33.43 C ATOM 664 CD LYS A 46 -6.596 -7.883 2.733 1.00 45.21 C ATOM 665 CE LYS A 46 -7.541 -8.551 3.719 1.00 73.03 C ATOM 666 NZ LYS A 46 -7.874 -9.944 3.312 1.00 31.52 N ATOM 0 H LYS A 46 -5.082 -4.190 -0.084 1.00 75.03 H new ATOM 0 HA LYS A 46 -4.501 -6.503 1.642 1.00 14.45 H new ATOM 0 HB2 LYS A 46 -6.342 -5.124 2.384 1.00 53.21 H new ATOM 0 HB3 LYS A 46 -7.042 -5.079 0.778 1.00 53.21 H new ATOM 0 HG2 LYS A 46 -8.265 -6.610 2.283 1.00 33.43 H new ATOM 0 HG3 LYS A 46 -7.607 -7.446 0.890 1.00 33.43 H new ATOM 0 HD2 LYS A 46 -6.090 -8.645 2.140 1.00 45.21 H new ATOM 0 HD3 LYS A 46 -5.825 -7.339 3.278 1.00 45.21 H new ATOM 0 HE2 LYS A 46 -7.085 -8.561 4.709 1.00 73.03 H new ATOM 0 HE3 LYS A 46 -8.458 -7.966 3.796 1.00 73.03 H new ATOM 0 HZ1 LYS A 46 -8.894 -10.016 3.122 1.00 31.52 H new ATOM 0 HZ2 LYS A 46 -7.344 -10.191 2.452 1.00 31.52 H new ATOM 0 HZ3 LYS A 46 -7.617 -10.600 4.077 1.00 31.52 H new ATOM 676 N VAL A 47 -4.939 -8.312 0.007 1.00 25.21 N ATOM 677 CA VAL A 47 -5.056 -9.371 -0.988 1.00 21.40 C ATOM 678 C VAL A 47 -6.265 -10.256 -0.709 1.00 31.15 C ATOM 679 O VAL A 47 -6.806 -10.256 0.396 1.00 52.11 O ATOM 680 CB VAL A 47 -3.790 -10.247 -1.028 1.00 65.11 C ATOM 681 CG1 VAL A 47 -3.672 -10.955 -2.369 1.00 12.24 C ATOM 682 CG2 VAL A 47 -2.552 -9.407 -0.749 1.00 60.10 C ATOM 0 H VAL A 47 -4.561 -8.617 0.904 1.00 25.21 H new ATOM 0 HA VAL A 47 -5.182 -8.884 -1.955 1.00 21.40 H new ATOM 0 HB VAL A 47 -3.870 -11.006 -0.250 1.00 65.11 H new ATOM 0 HG11 VAL A 47 -2.771 -11.569 -2.378 1.00 12.24 H new ATOM 0 HG12 VAL A 47 -4.545 -11.589 -2.524 1.00 12.24 H new ATOM 0 HG13 VAL A 47 -3.615 -10.215 -3.167 1.00 12.24 H new ATOM 0 HG21 VAL A 47 -1.667 -10.042 -0.781 1.00 60.10 H new ATOM 0 HG22 VAL A 47 -2.465 -8.625 -1.503 1.00 60.10 H new ATOM 0 HG23 VAL A 47 -2.636 -8.952 0.238 1.00 60.10 H new ATOM 692 N ALA A 48 -6.684 -11.012 -1.718 1.00 30.42 N ATOM 693 CA ALA A 48 -7.826 -11.906 -1.581 1.00 55.42 C ATOM 694 C ALA A 48 -7.514 -13.289 -2.143 1.00 51.21 C ATOM 695 O ALA A 48 -8.401 -13.984 -2.640 1.00 65.34 O ATOM 696 CB ALA A 48 -9.045 -11.315 -2.277 1.00 3.44 C ATOM 0 H ALA A 48 -6.249 -11.023 -2.640 1.00 30.42 H new ATOM 0 HA ALA A 48 -8.043 -12.016 -0.519 1.00 55.42 H new ATOM 0 HB1 ALA A 48 -9.891 -11.993 -2.167 1.00 3.44 H new ATOM 0 HB2 ALA A 48 -9.290 -10.353 -1.827 1.00 3.44 H new ATOM 0 HB3 ALA A 48 -8.827 -11.175 -3.336 1.00 3.44 H new ATOM 702 N THR A 49 -6.247 -13.683 -2.061 1.00 11.30 N ATOM 703 CA THR A 49 -5.817 -14.981 -2.562 1.00 34.31 C ATOM 704 C THR A 49 -4.623 -15.507 -1.774 1.00 24.42 C ATOM 705 O THR A 49 -3.465 -15.248 -2.106 1.00 53.41 O ATOM 706 CB THR A 49 -5.441 -14.911 -4.055 1.00 33.21 C ATOM 707 OG1 THR A 49 -4.315 -14.046 -4.237 1.00 0.11 O ATOM 708 CG2 THR A 49 -6.614 -14.409 -4.885 1.00 25.41 C ATOM 0 H THR A 49 -5.501 -13.121 -1.652 1.00 11.30 H new ATOM 0 HA THR A 49 -6.659 -15.662 -2.438 1.00 34.31 H new ATOM 0 HB THR A 49 -5.183 -15.916 -4.390 1.00 33.21 H new ATOM 0 HG1 THR A 49 -3.626 -14.263 -3.575 1.00 0.11 H new ATOM 0 HG21 THR A 49 -6.325 -14.368 -5.935 1.00 25.41 H new ATOM 0 HG22 THR A 49 -7.459 -15.087 -4.767 1.00 25.41 H new ATOM 0 HG23 THR A 49 -6.898 -13.412 -4.548 1.00 25.41 H new ATOM 716 N PRO A 50 -4.906 -16.266 -0.704 1.00 71.33 N ATOM 717 CA PRO A 50 -3.868 -16.845 0.153 1.00 11.12 C ATOM 718 C PRO A 50 -3.089 -17.953 -0.548 1.00 52.52 C ATOM 719 O PRO A 50 -3.476 -18.441 -1.611 1.00 44.43 O ATOM 720 CB PRO A 50 -4.659 -17.413 1.333 1.00 43.50 C ATOM 721 CG PRO A 50 -6.019 -17.678 0.786 1.00 43.11 C ATOM 722 CD PRO A 50 -6.263 -16.616 -0.251 1.00 3.03 C ATOM 0 HA PRO A 50 -3.118 -16.108 0.440 1.00 11.12 H new ATOM 0 HB2 PRO A 50 -4.201 -18.326 1.714 1.00 43.50 H new ATOM 0 HB3 PRO A 50 -4.697 -16.706 2.161 1.00 43.50 H new ATOM 0 HG2 PRO A 50 -6.075 -18.674 0.346 1.00 43.11 H new ATOM 0 HG3 PRO A 50 -6.772 -17.635 1.573 1.00 43.11 H new ATOM 0 HD2 PRO A 50 -6.877 -16.988 -1.071 1.00 3.03 H new ATOM 0 HD3 PRO A 50 -6.781 -15.754 0.170 1.00 3.03 H new ATOM 727 N PRO A 51 -1.964 -18.362 0.058 1.00 15.10 N ATOM 728 CA PRO A 51 -1.108 -19.418 -0.491 1.00 1.44 C ATOM 729 C PRO A 51 -1.764 -20.792 -0.417 1.00 34.13 C ATOM 730 O PRO A 51 -2.780 -20.988 0.252 1.00 24.40 O ATOM 731 CB PRO A 51 0.132 -19.369 0.405 1.00 64.30 C ATOM 732 CG PRO A 51 -0.350 -18.792 1.690 1.00 10.42 C ATOM 733 CD PRO A 51 -1.443 -17.826 1.327 1.00 42.03 C ATOM 0 HA PRO A 51 -0.894 -19.262 -1.548 1.00 1.44 H new ATOM 0 HB2 PRO A 51 0.554 -20.363 0.551 1.00 64.30 H new ATOM 0 HB3 PRO A 51 0.915 -18.752 -0.036 1.00 64.30 H new ATOM 0 HG2 PRO A 51 -0.724 -19.573 2.352 1.00 10.42 H new ATOM 0 HG3 PRO A 51 0.458 -18.286 2.218 1.00 10.42 H new ATOM 0 HD2 PRO A 51 -2.216 -17.787 2.094 1.00 42.03 H new ATOM 0 HD3 PRO A 51 -1.060 -16.812 1.208 1.00 42.03 H new ATOM 738 N PRO A 52 -1.172 -21.770 -1.120 1.00 41.42 N ATOM 739 CA PRO A 52 -1.682 -23.144 -1.150 1.00 54.43 C ATOM 740 C PRO A 52 -1.499 -23.859 0.184 1.00 44.21 C ATOM 741 O PRO A 52 -2.172 -24.850 0.466 1.00 51.00 O ATOM 742 CB PRO A 52 -0.836 -23.812 -2.235 1.00 74.54 C ATOM 743 CG PRO A 52 0.427 -23.022 -2.273 1.00 11.33 C ATOM 744 CD PRO A 52 0.040 -21.608 -1.940 1.00 61.25 C ATOM 0 HA PRO A 52 -2.754 -23.177 -1.345 1.00 54.43 H new ATOM 0 HB2 PRO A 52 -0.641 -24.858 -1.997 1.00 74.54 H new ATOM 0 HB3 PRO A 52 -1.343 -23.794 -3.200 1.00 74.54 H new ATOM 0 HG2 PRO A 52 1.151 -23.408 -1.555 1.00 11.33 H new ATOM 0 HG3 PRO A 52 0.893 -23.078 -3.257 1.00 11.33 H new ATOM 0 HD2 PRO A 52 0.830 -21.094 -1.392 1.00 61.25 H new ATOM 0 HD3 PRO A 52 -0.158 -21.023 -2.838 1.00 61.25 H new ATOM 749 N SER A 53 -0.584 -23.349 1.003 1.00 52.12 N ATOM 750 CA SER A 53 -0.310 -23.942 2.307 1.00 53.32 C ATOM 751 C SER A 53 -1.060 -23.200 3.409 1.00 63.45 C ATOM 752 O SER A 53 -1.860 -23.788 4.136 1.00 61.44 O ATOM 753 CB SER A 53 1.193 -23.923 2.594 1.00 53.41 C ATOM 754 OG SER A 53 1.860 -22.997 1.754 1.00 72.41 O ATOM 0 H SER A 53 -0.020 -22.527 0.787 1.00 52.12 H new ATOM 0 HA SER A 53 -0.656 -24.976 2.289 1.00 53.32 H new ATOM 0 HB2 SER A 53 1.364 -23.661 3.638 1.00 53.41 H new ATOM 0 HB3 SER A 53 1.608 -24.920 2.444 1.00 53.41 H new ATOM 0 HG SER A 53 2.819 -23.002 1.958 1.00 72.41 H new ATOM 759 N ALA A 54 -0.794 -21.902 3.527 1.00 30.35 N ATOM 760 CA ALA A 54 -1.443 -21.078 4.538 1.00 14.20 C ATOM 761 C ALA A 54 -1.221 -21.647 5.936 1.00 13.13 C ATOM 762 O ALA A 54 -2.117 -22.261 6.515 1.00 14.30 O ATOM 763 CB ALA A 54 -2.932 -20.960 4.245 1.00 43.25 C ATOM 0 H ALA A 54 -0.133 -21.400 2.934 1.00 30.35 H new ATOM 0 HA ALA A 54 -0.996 -20.084 4.504 1.00 14.20 H new ATOM 0 HB1 ALA A 54 -3.405 -20.342 5.008 1.00 43.25 H new ATOM 0 HB2 ALA A 54 -3.075 -20.502 3.266 1.00 43.25 H new ATOM 0 HB3 ALA A 54 -3.384 -21.952 4.251 1.00 43.25 H new ATOM 769 N GLN A 55 -0.022 -21.439 6.471 1.00 72.32 N ATOM 770 CA GLN A 55 0.317 -21.934 7.800 1.00 53.33 C ATOM 771 C GLN A 55 -0.749 -21.538 8.816 1.00 15.03 C ATOM 772 O GLN A 55 -0.881 -20.374 9.193 1.00 2.13 O ATOM 773 CB GLN A 55 1.679 -21.391 8.236 1.00 31.42 C ATOM 774 CG GLN A 55 2.853 -22.094 7.574 1.00 21.10 C ATOM 775 CD GLN A 55 4.102 -21.235 7.537 1.00 23.54 C ATOM 776 OE1 GLN A 55 4.030 -20.010 7.630 1.00 33.40 O ATOM 777 NE2 GLN A 55 5.258 -21.876 7.402 1.00 13.44 N ATOM 0 H GLN A 55 0.730 -20.932 6.005 1.00 72.32 H new ATOM 0 HA GLN A 55 0.364 -23.022 7.755 1.00 53.33 H new ATOM 0 HB2 GLN A 55 1.727 -20.326 8.007 1.00 31.42 H new ATOM 0 HB3 GLN A 55 1.771 -21.488 9.318 1.00 31.42 H new ATOM 0 HG2 GLN A 55 3.068 -23.018 8.111 1.00 21.10 H new ATOM 0 HG3 GLN A 55 2.578 -22.373 6.557 1.00 21.10 H new ATOM 0 HE21 GLN A 55 5.272 -22.893 7.328 1.00 13.44 H new ATOM 0 HE22 GLN A 55 6.132 -21.351 7.372 1.00 13.44 H new ATOM 784 N PRO A 56 -1.531 -22.529 9.270 1.00 74.14 N ATOM 785 CA PRO A 56 -2.601 -22.310 10.249 1.00 64.54 C ATOM 786 C PRO A 56 -2.058 -21.971 11.632 1.00 44.11 C ATOM 787 O PRO A 56 -0.917 -22.297 11.959 1.00 64.21 O ATOM 788 CB PRO A 56 -3.337 -23.651 10.276 1.00 45.34 C ATOM 789 CG PRO A 56 -2.320 -24.651 9.846 1.00 22.12 C ATOM 790 CD PRO A 56 -1.431 -23.941 8.863 1.00 51.54 C ATOM 0 HA PRO A 56 -3.236 -21.466 9.978 1.00 64.54 H new ATOM 0 HB2 PRO A 56 -3.715 -23.875 11.274 1.00 45.34 H new ATOM 0 HB3 PRO A 56 -4.195 -23.645 9.604 1.00 45.34 H new ATOM 0 HG2 PRO A 56 -1.747 -25.016 10.698 1.00 22.12 H new ATOM 0 HG3 PRO A 56 -2.795 -25.518 9.387 1.00 22.12 H new ATOM 0 HD2 PRO A 56 -0.404 -24.303 8.916 1.00 51.54 H new ATOM 0 HD3 PRO A 56 -1.768 -24.088 7.837 1.00 51.54 H new ATOM 795 N TRP A 57 -2.883 -21.316 12.441 1.00 4.13 N ATOM 796 CA TRP A 57 -2.485 -20.934 13.791 1.00 4.44 C ATOM 797 C TRP A 57 -1.320 -19.951 13.759 1.00 60.01 C ATOM 798 O TRP A 57 -0.870 -19.542 12.688 1.00 51.44 O ATOM 799 CB TRP A 57 -2.101 -22.172 14.602 1.00 12.23 C ATOM 800 CG TRP A 57 -2.920 -22.347 15.845 1.00 51.51 C ATOM 801 CD1 TRP A 57 -4.282 -22.308 15.941 1.00 3.32 C ATOM 802 CD2 TRP A 57 -2.428 -22.585 17.169 1.00 14.52 C ATOM 803 NE1 TRP A 57 -4.667 -22.508 17.245 1.00 44.41 N ATOM 804 CE2 TRP A 57 -3.549 -22.681 18.018 1.00 30.32 C ATOM 805 CE3 TRP A 57 -1.152 -22.729 17.720 1.00 71.03 C ATOM 806 CZ2 TRP A 57 -3.429 -22.913 19.386 1.00 64.34 C ATOM 807 CZ3 TRP A 57 -1.035 -22.958 19.077 1.00 23.20 C ATOM 808 CH2 TRP A 57 -2.166 -23.049 19.898 1.00 71.24 C ATOM 0 H TRP A 57 -3.831 -21.039 12.186 1.00 4.13 H new ATOM 0 HA TRP A 57 -3.335 -20.445 14.268 1.00 4.44 H new ATOM 0 HB2 TRP A 57 -2.212 -23.057 13.975 1.00 12.23 H new ATOM 0 HB3 TRP A 57 -1.048 -22.106 14.876 1.00 12.23 H new ATOM 0 HD1 TRP A 57 -4.957 -22.144 15.114 1.00 3.32 H new ATOM 0 HE1 TRP A 57 -5.629 -22.525 17.583 1.00 44.41 H new ATOM 0 HE3 TRP A 57 -0.273 -22.662 17.096 1.00 71.03 H new ATOM 0 HZ2 TRP A 57 -4.300 -22.983 20.020 1.00 64.34 H new ATOM 0 HZ3 TRP A 57 -0.053 -23.069 19.513 1.00 23.20 H new ATOM 0 HH2 TRP A 57 -2.040 -23.230 20.955 1.00 71.24 H new ATOM 818 N LYS A 58 -0.834 -19.577 14.937 1.00 42.55 N ATOM 819 CA LYS A 58 0.281 -18.642 15.043 1.00 54.21 C ATOM 820 C LYS A 58 -0.004 -17.364 14.261 1.00 65.12 C ATOM 821 O LYS A 58 0.832 -16.897 13.489 1.00 22.41 O ATOM 822 CB LYS A 58 1.567 -19.292 14.529 1.00 61.24 C ATOM 823 CG LYS A 58 2.165 -20.303 15.491 1.00 34.53 C ATOM 824 CD LYS A 58 3.058 -19.632 16.521 1.00 35.03 C ATOM 825 CE LYS A 58 3.798 -20.657 17.368 1.00 71.32 C ATOM 826 NZ LYS A 58 5.256 -20.365 17.442 1.00 24.14 N ATOM 0 H LYS A 58 -1.194 -19.907 15.832 1.00 42.55 H new ATOM 0 HA LYS A 58 0.407 -18.382 16.094 1.00 54.21 H new ATOM 0 HB2 LYS A 58 1.360 -19.785 13.579 1.00 61.24 H new ATOM 0 HB3 LYS A 58 2.303 -18.513 14.330 1.00 61.24 H new ATOM 0 HG2 LYS A 58 1.365 -20.842 15.998 1.00 34.53 H new ATOM 0 HG3 LYS A 58 2.742 -21.040 14.933 1.00 34.53 H new ATOM 0 HD2 LYS A 58 3.778 -18.988 16.016 1.00 35.03 H new ATOM 0 HD3 LYS A 58 2.455 -18.992 17.166 1.00 35.03 H new ATOM 0 HE2 LYS A 58 3.378 -20.668 18.374 1.00 71.32 H new ATOM 0 HE3 LYS A 58 3.647 -21.652 16.949 1.00 71.32 H new ATOM 0 HZ1 LYS A 58 5.725 -21.085 18.028 1.00 24.14 H new ATOM 0 HZ2 LYS A 58 5.662 -20.379 16.485 1.00 24.14 H new ATOM 0 HZ3 LYS A 58 5.401 -19.426 17.866 1.00 24.14 H new ATOM 836 N GLY A 59 -1.191 -16.800 14.468 1.00 23.31 N ATOM 837 CA GLY A 59 -1.563 -15.580 13.777 1.00 21.21 C ATOM 838 C GLY A 59 -2.658 -15.805 12.752 1.00 24.54 C ATOM 839 O GLY A 59 -2.560 -16.705 11.918 1.00 23.30 O ATOM 0 H GLY A 59 -1.901 -17.167 15.102 1.00 23.31 H new ATOM 0 HA2 GLY A 59 -1.897 -14.841 14.505 1.00 21.21 H new ATOM 0 HA3 GLY A 59 -0.685 -15.165 13.282 1.00 21.21 H new ATOM 843 N ASP A 60 -3.703 -14.988 12.816 1.00 35.35 N ATOM 844 CA ASP A 60 -4.821 -15.104 11.887 1.00 43.25 C ATOM 845 C ASP A 60 -4.331 -15.084 10.442 1.00 13.05 C ATOM 846 O ASP A 60 -3.223 -14.639 10.143 1.00 31.14 O ATOM 847 CB ASP A 60 -5.820 -13.968 12.115 1.00 1.22 C ATOM 848 CG ASP A 60 -6.990 -14.391 12.981 1.00 74.20 C ATOM 849 OD1 ASP A 60 -6.776 -14.650 14.183 1.00 24.25 O ATOM 850 OD2 ASP A 60 -8.121 -14.462 12.455 1.00 22.12 O ATOM 0 H ASP A 60 -3.800 -14.238 13.501 1.00 35.35 H new ATOM 0 HA ASP A 60 -5.317 -16.057 12.071 1.00 43.25 H new ATOM 0 HB2 ASP A 60 -5.309 -13.128 12.585 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -6.192 -13.617 11.153 1.00 1.22 H new ATOM 854 N PRO A 61 -5.176 -15.578 9.525 1.00 22.23 N ATOM 855 CA PRO A 61 -4.850 -15.630 8.096 1.00 22.21 C ATOM 856 C PRO A 61 -4.814 -14.245 7.459 1.00 1.51 C ATOM 857 O PRO A 61 -4.244 -14.059 6.384 1.00 23.33 O ATOM 858 CB PRO A 61 -5.990 -16.461 7.503 1.00 31.22 C ATOM 859 CG PRO A 61 -7.127 -16.275 8.446 1.00 64.14 C ATOM 860 CD PRO A 61 -6.512 -16.125 9.810 1.00 12.23 C ATOM 0 HA PRO A 61 -3.860 -16.050 7.919 1.00 22.21 H new ATOM 0 HB2 PRO A 61 -6.248 -16.120 6.500 1.00 31.22 H new ATOM 0 HB3 PRO A 61 -5.712 -17.512 7.421 1.00 31.22 H new ATOM 0 HG2 PRO A 61 -7.713 -15.394 8.183 1.00 64.14 H new ATOM 0 HG3 PRO A 61 -7.804 -17.129 8.415 1.00 64.14 H new ATOM 0 HD2 PRO A 61 -7.094 -15.454 10.441 1.00 12.23 H new ATOM 0 HD3 PRO A 61 -6.452 -17.081 10.331 1.00 12.23 H new ATOM 865 N VAL A 62 -5.426 -13.274 8.130 1.00 3.31 N ATOM 866 CA VAL A 62 -5.463 -11.904 7.631 1.00 30.54 C ATOM 867 C VAL A 62 -4.088 -11.252 7.716 1.00 71.43 C ATOM 868 O VAL A 62 -3.722 -10.440 6.866 1.00 13.32 O ATOM 869 CB VAL A 62 -6.474 -11.048 8.415 1.00 42.41 C ATOM 870 CG1 VAL A 62 -7.882 -11.599 8.250 1.00 34.25 C ATOM 871 CG2 VAL A 62 -6.088 -10.979 9.885 1.00 75.41 C ATOM 0 H VAL A 62 -5.903 -13.411 9.021 1.00 3.31 H new ATOM 0 HA VAL A 62 -5.774 -11.955 6.588 1.00 30.54 H new ATOM 0 HB VAL A 62 -6.456 -10.036 8.011 1.00 42.41 H new ATOM 0 HG11 VAL A 62 -8.583 -10.981 8.811 1.00 34.25 H new ATOM 0 HG12 VAL A 62 -8.155 -11.590 7.195 1.00 34.25 H new ATOM 0 HG13 VAL A 62 -7.919 -12.622 8.626 1.00 34.25 H new ATOM 0 HG21 VAL A 62 -6.814 -10.370 10.424 1.00 75.41 H new ATOM 0 HG22 VAL A 62 -6.075 -11.985 10.305 1.00 75.41 H new ATOM 0 HG23 VAL A 62 -5.098 -10.533 9.981 1.00 75.41 H new ATOM 881 N GLU A 63 -3.329 -11.613 8.746 1.00 32.03 N ATOM 882 CA GLU A 63 -1.993 -11.062 8.941 1.00 35.14 C ATOM 883 C GLU A 63 -1.110 -11.335 7.727 1.00 63.23 C ATOM 884 O GLU A 63 -0.141 -10.617 7.479 1.00 24.31 O ATOM 885 CB GLU A 63 -1.351 -11.656 10.196 1.00 14.10 C ATOM 886 CG GLU A 63 -2.197 -11.494 11.448 1.00 61.43 C ATOM 887 CD GLU A 63 -1.422 -10.887 12.602 1.00 15.04 C ATOM 888 OE1 GLU A 63 -1.234 -9.653 12.607 1.00 32.21 O ATOM 889 OE2 GLU A 63 -1.004 -11.649 13.499 1.00 43.31 O ATOM 0 H GLU A 63 -3.616 -12.284 9.458 1.00 32.03 H new ATOM 0 HA GLU A 63 -2.087 -9.983 9.065 1.00 35.14 H new ATOM 0 HB2 GLU A 63 -1.162 -12.717 10.030 1.00 14.10 H new ATOM 0 HB3 GLU A 63 -0.383 -11.182 10.358 1.00 14.10 H new ATOM 0 HG2 GLU A 63 -3.057 -10.864 11.222 1.00 61.43 H new ATOM 0 HG3 GLU A 63 -2.585 -12.467 11.748 1.00 61.43 H new ATOM 894 N GLN A 64 -1.452 -12.375 6.974 1.00 13.03 N ATOM 895 CA GLN A 64 -0.690 -12.742 5.787 1.00 21.20 C ATOM 896 C GLN A 64 -1.376 -12.240 4.522 1.00 15.23 C ATOM 897 O GLN A 64 -0.815 -12.312 3.427 1.00 45.43 O ATOM 898 CB GLN A 64 -0.514 -14.260 5.718 1.00 32.44 C ATOM 899 CG GLN A 64 0.939 -14.707 5.749 1.00 52.42 C ATOM 900 CD GLN A 64 1.135 -16.096 5.175 1.00 21.14 C ATOM 901 OE1 GLN A 64 1.958 -16.301 4.282 1.00 44.32 O ATOM 902 NE2 GLN A 64 0.379 -17.060 5.686 1.00 34.51 N ATOM 0 H GLN A 64 -2.252 -12.978 7.165 1.00 13.03 H new ATOM 0 HA GLN A 64 0.291 -12.272 5.856 1.00 21.20 H new ATOM 0 HB2 GLN A 64 -1.044 -14.717 6.554 1.00 32.44 H new ATOM 0 HB3 GLN A 64 -0.980 -14.630 4.805 1.00 32.44 H new ATOM 0 HG2 GLN A 64 1.546 -13.997 5.187 1.00 52.42 H new ATOM 0 HG3 GLN A 64 1.299 -14.689 6.778 1.00 52.42 H new ATOM 0 HE21 GLN A 64 -0.290 -16.845 6.425 1.00 34.51 H new ATOM 0 HE22 GLN A 64 0.467 -18.015 5.340 1.00 34.51 H new ATOM 909 N LEU A 65 -2.594 -11.732 4.678 1.00 64.45 N ATOM 910 CA LEU A 65 -3.358 -11.217 3.547 1.00 73.14 C ATOM 911 C LEU A 65 -3.146 -9.716 3.384 1.00 60.15 C ATOM 912 O LEU A 65 -3.929 -9.035 2.721 1.00 51.11 O ATOM 913 CB LEU A 65 -4.847 -11.515 3.734 1.00 42.11 C ATOM 914 CG LEU A 65 -5.289 -12.946 3.426 1.00 54.14 C ATOM 915 CD1 LEU A 65 -6.740 -13.156 3.832 1.00 24.35 C ATOM 916 CD2 LEU A 65 -5.097 -13.257 1.949 1.00 52.14 C ATOM 0 H LEU A 65 -3.073 -11.666 5.576 1.00 64.45 H new ATOM 0 HA LEU A 65 -3.004 -11.715 2.645 1.00 73.14 H new ATOM 0 HB2 LEU A 65 -5.116 -11.287 4.765 1.00 42.11 H new ATOM 0 HB3 LEU A 65 -5.416 -10.836 3.099 1.00 42.11 H new ATOM 0 HG LEU A 65 -4.668 -13.630 4.005 1.00 54.14 H new ATOM 0 HD11 LEU A 65 -7.037 -14.180 3.605 1.00 24.35 H new ATOM 0 HD12 LEU A 65 -6.848 -12.975 4.901 1.00 24.35 H new ATOM 0 HD13 LEU A 65 -7.376 -12.463 3.281 1.00 24.35 H new ATOM 0 HD21 LEU A 65 -5.417 -14.279 1.748 1.00 52.14 H new ATOM 0 HD22 LEU A 65 -5.692 -12.567 1.351 1.00 52.14 H new ATOM 0 HD23 LEU A 65 -4.044 -13.148 1.688 1.00 52.14 H new ATOM 927 N VAL A 66 -2.080 -9.205 3.992 1.00 44.25 N ATOM 928 CA VAL A 66 -1.761 -7.784 3.912 1.00 32.10 C ATOM 929 C VAL A 66 -0.309 -7.568 3.500 1.00 54.03 C ATOM 930 O VAL A 66 0.613 -8.016 4.181 1.00 63.21 O ATOM 931 CB VAL A 66 -2.012 -7.076 5.257 1.00 33.01 C ATOM 932 CG1 VAL A 66 -1.654 -5.601 5.158 1.00 13.31 C ATOM 933 CG2 VAL A 66 -3.459 -7.255 5.691 1.00 44.15 C ATOM 0 H VAL A 66 -1.422 -9.754 4.546 1.00 44.25 H new ATOM 0 HA VAL A 66 -2.418 -7.355 3.155 1.00 32.10 H new ATOM 0 HB VAL A 66 -1.372 -7.531 6.013 1.00 33.01 H new ATOM 0 HG11 VAL A 66 -1.838 -5.117 6.117 1.00 13.31 H new ATOM 0 HG12 VAL A 66 -0.601 -5.499 4.896 1.00 13.31 H new ATOM 0 HG13 VAL A 66 -2.267 -5.129 4.390 1.00 13.31 H new ATOM 0 HG21 VAL A 66 -3.619 -6.749 6.643 1.00 44.15 H new ATOM 0 HG22 VAL A 66 -4.120 -6.828 4.937 1.00 44.15 H new ATOM 0 HG23 VAL A 66 -3.676 -8.317 5.804 1.00 44.15 H new ATOM 943 N ARG A 67 -0.114 -6.880 2.379 1.00 43.43 N ATOM 944 CA ARG A 67 1.226 -6.605 1.875 1.00 51.43 C ATOM 945 C ARG A 67 1.560 -5.121 1.998 1.00 54.01 C ATOM 946 O ARG A 67 0.921 -4.276 1.369 1.00 15.12 O ATOM 947 CB ARG A 67 1.345 -7.046 0.415 1.00 25.45 C ATOM 948 CG ARG A 67 1.711 -8.513 0.251 1.00 2.33 C ATOM 949 CD ARG A 67 3.115 -8.798 0.759 1.00 10.10 C ATOM 950 NE ARG A 67 3.105 -9.391 2.094 1.00 15.31 N ATOM 951 CZ ARG A 67 4.196 -9.826 2.713 1.00 44.31 C ATOM 952 NH1 ARG A 67 5.379 -9.733 2.123 1.00 15.02 N ATOM 953 NH2 ARG A 67 4.105 -10.354 3.927 1.00 10.41 N ATOM 0 H ARG A 67 -0.867 -6.503 1.803 1.00 43.43 H new ATOM 0 HA ARG A 67 1.937 -7.171 2.478 1.00 51.43 H new ATOM 0 HB2 ARG A 67 0.398 -6.857 -0.091 1.00 25.45 H new ATOM 0 HB3 ARG A 67 2.099 -6.434 -0.081 1.00 25.45 H new ATOM 0 HG2 ARG A 67 0.995 -9.130 0.793 1.00 2.33 H new ATOM 0 HG3 ARG A 67 1.640 -8.791 -0.801 1.00 2.33 H new ATOM 0 HD2 ARG A 67 3.621 -9.471 0.067 1.00 10.10 H new ATOM 0 HD3 ARG A 67 3.688 -7.871 0.778 1.00 10.10 H new ATOM 0 HE ARG A 67 2.211 -9.476 2.577 1.00 15.31 H new ATOM 0 HH11 ARG A 67 5.453 -9.326 1.191 1.00 15.02 H new ATOM 0 HH12 ARG A 67 6.215 -10.068 2.601 1.00 15.02 H new ATOM 0 HH21 ARG A 67 3.196 -10.426 4.385 1.00 10.41 H new ATOM 0 HH22 ARG A 67 4.944 -10.688 4.402 1.00 10.41 H new ATOM 964 N HIS A 68 2.563 -4.810 2.812 1.00 1.03 N ATOM 965 CA HIS A 68 2.981 -3.428 3.016 1.00 4.31 C ATOM 966 C HIS A 68 4.434 -3.231 2.592 1.00 11.12 C ATOM 967 O HIS A 68 5.328 -3.936 3.060 1.00 5.01 O ATOM 968 CB HIS A 68 2.809 -3.033 4.484 1.00 51.31 C ATOM 969 CG HIS A 68 3.645 -3.843 5.425 1.00 64.52 C ATOM 970 ND1 HIS A 68 4.916 -3.470 5.812 1.00 3.33 N ATOM 971 CD2 HIS A 68 3.388 -5.010 6.058 1.00 15.21 C ATOM 972 CE1 HIS A 68 5.404 -4.376 6.642 1.00 50.32 C ATOM 973 NE2 HIS A 68 4.496 -5.321 6.808 1.00 43.13 N ATOM 0 H HIS A 68 3.101 -5.496 3.341 1.00 1.03 H new ATOM 0 HA HIS A 68 2.350 -2.789 2.398 1.00 4.31 H new ATOM 0 HB2 HIS A 68 3.064 -1.980 4.600 1.00 51.31 H new ATOM 0 HB3 HIS A 68 1.760 -3.140 4.760 1.00 51.31 H new ATOM 0 HD1 HIS A 68 5.403 -2.627 5.506 1.00 3.33 H new ATOM 0 HD2 HIS A 68 2.480 -5.590 5.987 1.00 15.21 H new ATOM 0 HE1 HIS A 68 6.379 -4.348 7.105 1.00 50.32 H new ATOM 980 N PHE A 69 4.660 -2.270 1.703 1.00 4.31 N ATOM 981 CA PHE A 69 6.004 -1.982 1.215 1.00 65.13 C ATOM 982 C PHE A 69 6.302 -0.488 1.291 1.00 54.34 C ATOM 983 O PHE A 69 5.396 0.343 1.205 1.00 14.32 O ATOM 984 CB PHE A 69 6.162 -2.472 -0.226 1.00 10.20 C ATOM 985 CG PHE A 69 6.333 -3.960 -0.338 1.00 21.25 C ATOM 986 CD1 PHE A 69 7.277 -4.622 0.432 1.00 54.11 C ATOM 987 CD2 PHE A 69 5.551 -4.697 -1.212 1.00 30.15 C ATOM 988 CE1 PHE A 69 7.437 -5.991 0.331 1.00 45.01 C ATOM 989 CE2 PHE A 69 5.706 -6.067 -1.316 1.00 62.22 C ATOM 990 CZ PHE A 69 6.651 -6.714 -0.544 1.00 34.31 C ATOM 0 H PHE A 69 3.931 -1.678 1.306 1.00 4.31 H new ATOM 0 HA PHE A 69 6.715 -2.509 1.851 1.00 65.13 H new ATOM 0 HB2 PHE A 69 5.287 -2.171 -0.802 1.00 10.20 H new ATOM 0 HB3 PHE A 69 7.024 -1.980 -0.676 1.00 10.20 H new ATOM 0 HD1 PHE A 69 7.894 -4.062 1.118 1.00 54.11 H new ATOM 0 HD2 PHE A 69 4.812 -4.196 -1.819 1.00 30.15 H new ATOM 0 HE1 PHE A 69 8.176 -6.495 0.936 1.00 45.01 H new ATOM 0 HE2 PHE A 69 5.089 -6.631 -2.000 1.00 62.22 H new ATOM 0 HZ PHE A 69 6.775 -7.784 -0.625 1.00 34.31 H new ATOM 999 N LEU A 70 7.576 -0.152 1.453 1.00 4.22 N ATOM 1000 CA LEU A 70 7.995 1.243 1.541 1.00 25.02 C ATOM 1001 C LEU A 70 8.524 1.739 0.199 1.00 2.44 C ATOM 1002 O LEU A 70 9.423 1.135 -0.386 1.00 21.40 O ATOM 1003 CB LEU A 70 9.070 1.405 2.617 1.00 45.24 C ATOM 1004 CG LEU A 70 10.201 0.377 2.598 1.00 32.42 C ATOM 1005 CD1 LEU A 70 11.531 1.038 2.924 1.00 43.32 C ATOM 1006 CD2 LEU A 70 9.912 -0.753 3.575 1.00 33.30 C ATOM 0 H LEU A 70 8.338 -0.826 1.526 1.00 4.22 H new ATOM 0 HA LEU A 70 7.125 1.842 1.811 1.00 25.02 H new ATOM 0 HB2 LEU A 70 9.508 2.398 2.518 1.00 45.24 H new ATOM 0 HB3 LEU A 70 8.587 1.366 3.593 1.00 45.24 H new ATOM 0 HG LEU A 70 10.265 -0.044 1.595 1.00 32.42 H new ATOM 0 HD11 LEU A 70 12.323 0.290 2.905 1.00 43.32 H new ATOM 0 HD12 LEU A 70 11.744 1.811 2.185 1.00 43.32 H new ATOM 0 HD13 LEU A 70 11.480 1.488 3.915 1.00 43.32 H new ATOM 0 HD21 LEU A 70 10.728 -1.475 3.548 1.00 33.30 H new ATOM 0 HD22 LEU A 70 9.819 -0.348 4.583 1.00 33.30 H new ATOM 0 HD23 LEU A 70 8.981 -1.247 3.295 1.00 33.30 H new ATOM 1017 N ILE A 71 7.960 2.842 -0.281 1.00 21.31 N ATOM 1018 CA ILE A 71 8.377 3.420 -1.552 1.00 65.23 C ATOM 1019 C ILE A 71 9.283 4.628 -1.336 1.00 51.22 C ATOM 1020 O ILE A 71 9.008 5.479 -0.490 1.00 52.42 O ATOM 1021 CB ILE A 71 7.166 3.847 -2.401 1.00 52.34 C ATOM 1022 CG1 ILE A 71 6.082 2.767 -2.363 1.00 63.13 C ATOM 1023 CG2 ILE A 71 7.594 4.125 -3.834 1.00 55.44 C ATOM 1024 CD1 ILE A 71 4.902 3.125 -1.488 1.00 14.31 C ATOM 0 H ILE A 71 7.214 3.353 0.191 1.00 21.31 H new ATOM 0 HA ILE A 71 8.929 2.645 -2.084 1.00 65.23 H new ATOM 0 HB ILE A 71 6.753 4.765 -1.982 1.00 52.34 H new ATOM 0 HG12 ILE A 71 5.729 2.583 -3.378 1.00 63.13 H new ATOM 0 HG13 ILE A 71 6.521 1.836 -2.004 1.00 63.13 H new ATOM 0 HG21 ILE A 71 6.726 4.426 -4.421 1.00 55.44 H new ATOM 0 HG22 ILE A 71 8.334 4.925 -3.844 1.00 55.44 H new ATOM 0 HG23 ILE A 71 8.029 3.223 -4.265 1.00 55.44 H new ATOM 0 HD11 ILE A 71 4.174 2.314 -1.509 1.00 14.31 H new ATOM 0 HD12 ILE A 71 5.242 3.281 -0.464 1.00 14.31 H new ATOM 0 HD13 ILE A 71 4.438 4.039 -1.859 1.00 14.31 H new ATOM 1035 N GLU A 72 10.363 4.697 -2.108 1.00 5.21 N ATOM 1036 CA GLU A 72 11.308 5.803 -2.000 1.00 73.03 C ATOM 1037 C GLU A 72 11.322 6.633 -3.280 1.00 54.43 C ATOM 1038 O GLU A 72 11.398 6.093 -4.385 1.00 54.33 O ATOM 1039 CB GLU A 72 12.713 5.274 -1.708 1.00 23.43 C ATOM 1040 CG GLU A 72 12.997 5.085 -0.227 1.00 34.10 C ATOM 1041 CD GLU A 72 12.818 3.647 0.221 1.00 43.33 C ATOM 1042 OE1 GLU A 72 11.656 3.210 0.361 1.00 61.55 O ATOM 1043 OE2 GLU A 72 13.839 2.960 0.434 1.00 42.13 O ATOM 0 H GLU A 72 10.605 4.002 -2.814 1.00 5.21 H new ATOM 0 HA GLU A 72 10.989 6.442 -1.176 1.00 73.03 H new ATOM 0 HB2 GLU A 72 12.847 4.321 -2.219 1.00 23.43 H new ATOM 0 HB3 GLU A 72 13.446 5.965 -2.125 1.00 23.43 H new ATOM 0 HG2 GLU A 72 14.017 5.404 -0.012 1.00 34.10 H new ATOM 0 HG3 GLU A 72 12.333 5.728 0.352 1.00 34.10 H new ATOM 1048 N THR A 73 11.246 7.952 -3.125 1.00 2.43 N ATOM 1049 CA THR A 73 11.247 8.858 -4.266 1.00 31.32 C ATOM 1050 C THR A 73 12.484 9.749 -4.259 1.00 23.51 C ATOM 1051 O THR A 73 12.726 10.485 -3.304 1.00 61.12 O ATOM 1052 CB THR A 73 9.989 9.746 -4.279 1.00 71.25 C ATOM 1053 OG1 THR A 73 10.126 10.774 -5.268 1.00 34.40 O ATOM 1054 CG2 THR A 73 9.757 10.376 -2.915 1.00 41.02 C ATOM 0 H THR A 73 11.183 8.416 -2.219 1.00 2.43 H new ATOM 0 HA THR A 73 11.254 8.238 -5.162 1.00 31.32 H new ATOM 0 HB THR A 73 9.131 9.119 -4.522 1.00 71.25 H new ATOM 0 HG1 THR A 73 9.322 11.334 -5.272 1.00 34.40 H new ATOM 0 HG21 THR A 73 8.863 10.999 -2.949 1.00 41.02 H new ATOM 0 HG22 THR A 73 9.625 9.592 -2.170 1.00 41.02 H new ATOM 0 HG23 THR A 73 10.617 10.990 -2.647 1.00 41.02 H new ATOM 1062 N GLY A 74 13.266 9.676 -5.333 1.00 62.23 N ATOM 1063 CA GLY A 74 14.469 10.483 -5.430 1.00 33.43 C ATOM 1064 C GLY A 74 14.587 11.190 -6.766 1.00 12.11 C ATOM 1065 O GLY A 74 13.639 11.243 -7.550 1.00 13.43 O ATOM 0 H GLY A 74 13.088 9.073 -6.136 1.00 62.23 H new ATOM 0 HA2 GLY A 74 14.472 11.223 -4.629 1.00 33.43 H new ATOM 0 HA3 GLY A 74 15.342 9.848 -5.280 1.00 33.43 H new ATOM 1069 N PRO A 75 15.773 11.751 -7.041 1.00 3.54 N ATOM 1070 CA PRO A 75 16.039 12.471 -8.290 1.00 22.13 C ATOM 1071 C PRO A 75 16.092 11.538 -9.494 1.00 34.31 C ATOM 1072 O PRO A 75 16.170 11.988 -10.638 1.00 34.51 O ATOM 1073 CB PRO A 75 17.409 13.108 -8.047 1.00 41.32 C ATOM 1074 CG PRO A 75 18.058 12.238 -7.027 1.00 32.32 C ATOM 1075 CD PRO A 75 16.947 11.727 -6.151 1.00 61.31 C ATOM 0 HA PRO A 75 15.254 13.191 -8.521 1.00 22.13 H new ATOM 0 HB2 PRO A 75 17.996 13.147 -8.965 1.00 41.32 H new ATOM 0 HB3 PRO A 75 17.311 14.133 -7.688 1.00 41.32 H new ATOM 0 HG2 PRO A 75 18.592 11.414 -7.500 1.00 32.32 H new ATOM 0 HG3 PRO A 75 18.788 12.799 -6.444 1.00 32.32 H new ATOM 0 HD2 PRO A 75 17.154 10.721 -5.785 1.00 61.31 H new ATOM 0 HD3 PRO A 75 16.801 12.361 -5.276 1.00 61.31 H new ATOM 1080 N LYS A 76 16.048 10.236 -9.232 1.00 24.21 N ATOM 1081 CA LYS A 76 16.089 9.239 -10.295 1.00 73.11 C ATOM 1082 C LYS A 76 14.718 8.602 -10.496 1.00 34.02 C ATOM 1083 O LYS A 76 14.548 7.726 -11.343 1.00 60.34 O ATOM 1084 CB LYS A 76 17.123 8.159 -9.970 1.00 52.22 C ATOM 1085 CG LYS A 76 18.489 8.420 -10.581 1.00 35.43 C ATOM 1086 CD LYS A 76 18.777 7.465 -11.728 1.00 22.55 C ATOM 1087 CE LYS A 76 20.268 7.368 -12.010 1.00 65.43 C ATOM 1088 NZ LYS A 76 20.809 6.020 -11.680 1.00 71.32 N ATOM 0 H LYS A 76 15.984 9.846 -8.291 1.00 24.21 H new ATOM 0 HA LYS A 76 16.376 9.741 -11.219 1.00 73.11 H new ATOM 0 HB2 LYS A 76 17.227 8.082 -8.888 1.00 52.22 H new ATOM 0 HB3 LYS A 76 16.754 7.196 -10.324 1.00 52.22 H new ATOM 0 HG2 LYS A 76 18.538 9.448 -10.941 1.00 35.43 H new ATOM 0 HG3 LYS A 76 19.258 8.314 -9.816 1.00 35.43 H new ATOM 0 HD2 LYS A 76 18.386 6.477 -11.487 1.00 22.55 H new ATOM 0 HD3 LYS A 76 18.257 7.804 -12.624 1.00 22.55 H new ATOM 0 HE2 LYS A 76 20.454 7.586 -13.062 1.00 65.43 H new ATOM 0 HE3 LYS A 76 20.797 8.124 -11.430 1.00 65.43 H new ATOM 0 HZ1 LYS A 76 21.828 5.995 -11.886 1.00 71.32 H new ATOM 0 HZ2 LYS A 76 20.655 5.822 -10.671 1.00 71.32 H new ATOM 0 HZ3 LYS A 76 20.322 5.301 -12.252 1.00 71.32 H new ATOM 1098 N GLY A 77 13.742 9.047 -9.710 1.00 61.54 N ATOM 1099 CA GLY A 77 12.398 8.509 -9.819 1.00 61.24 C ATOM 1100 C GLY A 77 11.931 7.854 -8.535 1.00 13.04 C ATOM 1101 O GLY A 77 12.651 7.842 -7.537 1.00 42.23 O ATOM 0 H GLY A 77 13.858 9.770 -9.000 1.00 61.54 H new ATOM 0 HA2 GLY A 77 11.709 9.311 -10.086 1.00 61.24 H new ATOM 0 HA3 GLY A 77 12.366 7.779 -10.628 1.00 61.24 H new ATOM 1105 N VAL A 78 10.720 7.307 -8.559 1.00 14.43 N ATOM 1106 CA VAL A 78 10.156 6.645 -7.388 1.00 40.35 C ATOM 1107 C VAL A 78 10.045 5.142 -7.606 1.00 11.35 C ATOM 1108 O VAL A 78 9.473 4.687 -8.598 1.00 64.10 O ATOM 1109 CB VAL A 78 8.764 7.208 -7.042 1.00 41.13 C ATOM 1110 CG1 VAL A 78 7.805 7.015 -8.207 1.00 20.35 C ATOM 1111 CG2 VAL A 78 8.223 6.551 -5.780 1.00 74.15 C ATOM 0 H VAL A 78 10.110 7.309 -9.377 1.00 14.43 H new ATOM 0 HA VAL A 78 10.835 6.838 -6.557 1.00 40.35 H new ATOM 0 HB VAL A 78 8.859 8.278 -6.855 1.00 41.13 H new ATOM 0 HG11 VAL A 78 6.827 7.419 -7.944 1.00 20.35 H new ATOM 0 HG12 VAL A 78 8.189 7.536 -9.084 1.00 20.35 H new ATOM 0 HG13 VAL A 78 7.711 5.952 -8.429 1.00 20.35 H new ATOM 0 HG21 VAL A 78 7.239 6.960 -5.550 1.00 74.15 H new ATOM 0 HG22 VAL A 78 8.141 5.475 -5.936 1.00 74.15 H new ATOM 0 HG23 VAL A 78 8.901 6.746 -4.949 1.00 74.15 H new ATOM 1121 N LYS A 79 10.594 4.371 -6.672 1.00 55.34 N ATOM 1122 CA LYS A 79 10.555 2.916 -6.760 1.00 11.30 C ATOM 1123 C LYS A 79 9.964 2.311 -5.490 1.00 74.23 C ATOM 1124 O LYS A 79 10.189 2.812 -4.388 1.00 72.53 O ATOM 1125 CB LYS A 79 11.961 2.362 -6.996 1.00 3.32 C ATOM 1126 CG LYS A 79 12.841 2.391 -5.758 1.00 45.00 C ATOM 1127 CD LYS A 79 14.284 2.717 -6.107 1.00 34.41 C ATOM 1128 CE LYS A 79 15.144 1.464 -6.149 1.00 32.33 C ATOM 1129 NZ LYS A 79 16.598 1.786 -6.114 1.00 15.21 N ATOM 0 H LYS A 79 11.071 4.730 -5.845 1.00 55.34 H new ATOM 0 HA LYS A 79 9.918 2.643 -7.602 1.00 11.30 H new ATOM 0 HB2 LYS A 79 11.883 1.335 -7.352 1.00 3.32 H new ATOM 0 HB3 LYS A 79 12.442 2.938 -7.787 1.00 3.32 H new ATOM 0 HG2 LYS A 79 12.459 3.132 -5.056 1.00 45.00 H new ATOM 0 HG3 LYS A 79 12.797 1.424 -5.256 1.00 45.00 H new ATOM 0 HD2 LYS A 79 14.321 3.218 -7.075 1.00 34.41 H new ATOM 0 HD3 LYS A 79 14.689 3.413 -5.372 1.00 34.41 H new ATOM 0 HE2 LYS A 79 14.894 0.824 -5.303 1.00 32.33 H new ATOM 0 HE3 LYS A 79 14.919 0.900 -7.054 1.00 32.33 H new ATOM 0 HZ1 LYS A 79 17.150 0.905 -6.144 1.00 15.21 H new ATOM 0 HZ2 LYS A 79 16.843 2.376 -6.935 1.00 15.21 H new ATOM 0 HZ3 LYS A 79 16.818 2.302 -5.238 1.00 15.21 H new ATOM 1139 N ILE A 80 9.208 1.230 -5.653 1.00 21.22 N ATOM 1140 CA ILE A 80 8.587 0.554 -4.519 1.00 44.15 C ATOM 1141 C ILE A 80 9.452 -0.600 -4.027 1.00 22.33 C ATOM 1142 O ILE A 80 9.722 -1.548 -4.765 1.00 62.45 O ATOM 1143 CB ILE A 80 7.190 0.018 -4.880 1.00 60.10 C ATOM 1144 CG1 ILE A 80 6.343 1.123 -5.513 1.00 14.50 C ATOM 1145 CG2 ILE A 80 6.503 -0.544 -3.644 1.00 52.12 C ATOM 1146 CD1 ILE A 80 5.910 0.818 -6.929 1.00 52.04 C ATOM 0 H ILE A 80 9.011 0.804 -6.558 1.00 21.22 H new ATOM 0 HA ILE A 80 8.488 1.294 -3.725 1.00 44.15 H new ATOM 0 HB ILE A 80 7.302 -0.787 -5.606 1.00 60.10 H new ATOM 0 HG12 ILE A 80 5.458 1.288 -4.899 1.00 14.50 H new ATOM 0 HG13 ILE A 80 6.912 2.053 -5.508 1.00 14.50 H new ATOM 0 HG21 ILE A 80 5.516 -0.919 -3.915 1.00 52.12 H new ATOM 0 HG22 ILE A 80 7.101 -1.358 -3.234 1.00 52.12 H new ATOM 0 HG23 ILE A 80 6.399 0.242 -2.896 1.00 52.12 H new ATOM 0 HD11 ILE A 80 5.313 1.645 -7.313 1.00 52.04 H new ATOM 0 HD12 ILE A 80 6.790 0.683 -7.558 1.00 52.04 H new ATOM 0 HD13 ILE A 80 5.314 -0.094 -6.939 1.00 52.04 H new ATOM 1157 N LYS A 81 9.883 -0.517 -2.773 1.00 52.12 N ATOM 1158 CA LYS A 81 10.715 -1.556 -2.178 1.00 65.12 C ATOM 1159 C LYS A 81 9.958 -2.878 -2.096 1.00 23.22 C ATOM 1160 O LYS A 81 9.238 -3.132 -1.132 1.00 54.44 O ATOM 1161 CB LYS A 81 11.177 -1.132 -0.782 1.00 44.30 C ATOM 1162 CG LYS A 81 12.139 -2.113 -0.135 1.00 51.12 C ATOM 1163 CD LYS A 81 13.515 -2.049 -0.777 1.00 22.34 C ATOM 1164 CE LYS A 81 14.519 -1.353 0.128 1.00 24.42 C ATOM 1165 NZ LYS A 81 15.886 -1.345 -0.463 1.00 44.21 N ATOM 0 H LYS A 81 9.669 0.260 -2.148 1.00 52.12 H new ATOM 0 HA LYS A 81 11.588 -1.697 -2.815 1.00 65.12 H new ATOM 0 HB2 LYS A 81 11.657 -0.156 -0.848 1.00 44.30 H new ATOM 0 HB3 LYS A 81 10.304 -1.015 -0.140 1.00 44.30 H new ATOM 0 HG2 LYS A 81 12.222 -1.894 0.930 1.00 51.12 H new ATOM 0 HG3 LYS A 81 11.742 -3.124 -0.222 1.00 51.12 H new ATOM 0 HD2 LYS A 81 13.862 -3.058 -0.999 1.00 22.34 H new ATOM 0 HD3 LYS A 81 13.450 -1.518 -1.727 1.00 22.34 H new ATOM 0 HE2 LYS A 81 14.195 -0.328 0.309 1.00 24.42 H new ATOM 0 HE3 LYS A 81 14.545 -1.854 1.095 1.00 24.42 H new ATOM 0 HZ1 LYS A 81 16.541 -0.862 0.184 1.00 44.21 H new ATOM 0 HZ2 LYS A 81 16.205 -2.323 -0.612 1.00 44.21 H new ATOM 0 HZ3 LYS A 81 15.867 -0.844 -1.374 1.00 44.21 H new ATOM 1175 N GLY A 82 10.130 -3.717 -3.112 1.00 71.11 N ATOM 1176 CA GLY A 82 9.458 -5.003 -3.133 1.00 75.13 C ATOM 1177 C GLY A 82 10.125 -5.991 -4.070 1.00 70.43 C ATOM 1178 O GLY A 82 10.216 -7.181 -3.767 1.00 1.53 O ATOM 0 H GLY A 82 10.722 -3.530 -3.921 1.00 71.11 H new ATOM 0 HA2 GLY A 82 9.442 -5.417 -2.125 1.00 75.13 H new ATOM 0 HA3 GLY A 82 8.421 -4.862 -3.437 1.00 75.13 H new ATOM 1182 N CYS A 83 10.591 -5.498 -5.212 1.00 42.24 N ATOM 1183 CA CYS A 83 11.252 -6.346 -6.199 1.00 0.23 C ATOM 1184 C CYS A 83 12.463 -5.640 -6.799 1.00 52.32 C ATOM 1185 O CYS A 83 12.592 -4.418 -6.740 1.00 41.34 O ATOM 1186 CB CYS A 83 10.271 -6.735 -7.306 1.00 0.21 C ATOM 1187 SG CYS A 83 9.489 -8.347 -7.067 1.00 71.34 S ATOM 0 H CYS A 83 10.524 -4.516 -5.478 1.00 42.24 H new ATOM 0 HA CYS A 83 11.595 -7.249 -5.695 1.00 0.23 H new ATOM 0 HB2 CYS A 83 9.495 -5.973 -7.373 1.00 0.21 H new ATOM 0 HB3 CYS A 83 10.799 -6.737 -8.260 1.00 0.21 H new ATOM 0 HG CYS A 83 8.676 -8.585 -8.053 1.00 71.34 H new ATOM 1192 N PRO A 84 13.374 -6.427 -7.390 1.00 70.21 N ATOM 1193 CA PRO A 84 14.591 -5.900 -8.012 1.00 64.43 C ATOM 1194 C PRO A 84 14.298 -5.115 -9.287 1.00 24.34 C ATOM 1195 O PRO A 84 15.182 -4.459 -9.840 1.00 11.13 O ATOM 1196 CB PRO A 84 15.401 -7.159 -8.333 1.00 10.43 C ATOM 1197 CG PRO A 84 14.384 -8.239 -8.464 1.00 13.55 C ATOM 1198 CD PRO A 84 13.285 -7.894 -7.497 1.00 54.23 C ATOM 0 HA PRO A 84 15.110 -5.198 -7.359 1.00 64.43 H new ATOM 0 HB2 PRO A 84 15.972 -7.039 -9.254 1.00 10.43 H new ATOM 0 HB3 PRO A 84 16.116 -7.382 -7.541 1.00 10.43 H new ATOM 0 HG2 PRO A 84 14.003 -8.294 -9.484 1.00 13.55 H new ATOM 0 HG3 PRO A 84 14.816 -9.212 -8.232 1.00 13.55 H new ATOM 0 HD2 PRO A 84 12.310 -8.212 -7.866 1.00 54.23 H new ATOM 0 HD3 PRO A 84 13.433 -8.377 -6.531 1.00 54.23 H new ATOM 1203 N SER A 85 13.054 -5.187 -9.748 1.00 25.44 N ATOM 1204 CA SER A 85 12.646 -4.487 -10.959 1.00 42.11 C ATOM 1205 C SER A 85 13.035 -3.013 -10.891 1.00 74.02 C ATOM 1206 O SER A 85 13.873 -2.546 -11.661 1.00 24.01 O ATOM 1207 CB SER A 85 11.136 -4.618 -11.165 1.00 33.42 C ATOM 1208 OG SER A 85 10.774 -4.300 -12.498 1.00 21.14 O ATOM 0 H SER A 85 12.311 -5.724 -9.301 1.00 25.44 H new ATOM 0 HA SER A 85 13.162 -4.943 -11.804 1.00 42.11 H new ATOM 0 HB2 SER A 85 10.821 -5.635 -10.932 1.00 33.42 H new ATOM 0 HB3 SER A 85 10.613 -3.956 -10.475 1.00 33.42 H new ATOM 0 HG SER A 85 9.804 -4.393 -12.605 1.00 21.14 H new ATOM 1213 N GLU A 86 12.419 -2.287 -9.965 1.00 11.31 N ATOM 1214 CA GLU A 86 12.699 -0.865 -9.796 1.00 75.30 C ATOM 1215 C GLU A 86 12.577 -0.126 -11.126 1.00 11.24 C ATOM 1216 O GLU A 86 13.558 0.365 -11.684 1.00 73.13 O ATOM 1217 CB GLU A 86 14.101 -0.664 -9.215 1.00 35.34 C ATOM 1218 CG GLU A 86 14.421 -1.602 -8.063 1.00 42.11 C ATOM 1219 CD GLU A 86 15.819 -1.392 -7.513 1.00 34.20 C ATOM 1220 OE1 GLU A 86 16.762 -1.263 -8.321 1.00 11.32 O ATOM 1221 OE2 GLU A 86 15.969 -1.358 -6.273 1.00 74.01 O ATOM 0 H GLU A 86 11.722 -2.659 -9.320 1.00 11.31 H new ATOM 0 HA GLU A 86 11.964 -0.455 -9.103 1.00 75.30 H new ATOM 0 HB2 GLU A 86 14.837 -0.808 -10.006 1.00 35.34 H new ATOM 0 HB3 GLU A 86 14.199 0.366 -8.872 1.00 35.34 H new ATOM 0 HG2 GLU A 86 13.694 -1.453 -7.265 1.00 42.11 H new ATOM 0 HG3 GLU A 86 14.318 -2.634 -8.399 1.00 42.11 H new ATOM 1226 N PRO A 87 11.344 -0.044 -11.647 1.00 1.55 N ATOM 1227 CA PRO A 87 11.062 0.633 -12.915 1.00 21.51 C ATOM 1228 C PRO A 87 11.226 2.145 -12.813 1.00 62.24 C ATOM 1229 O PRO A 87 11.249 2.846 -13.826 1.00 24.03 O ATOM 1230 CB PRO A 87 9.602 0.270 -13.195 1.00 1.01 C ATOM 1231 CG PRO A 87 9.017 -0.009 -11.854 1.00 4.42 C ATOM 1232 CD PRO A 87 10.128 -0.607 -11.035 1.00 50.41 C ATOM 0 HA PRO A 87 11.749 0.325 -13.703 1.00 21.51 H new ATOM 0 HB2 PRO A 87 9.079 1.087 -13.693 1.00 1.01 H new ATOM 0 HB3 PRO A 87 9.529 -0.600 -13.848 1.00 1.01 H new ATOM 0 HG2 PRO A 87 8.641 0.905 -11.394 1.00 4.42 H new ATOM 0 HG3 PRO A 87 8.175 -0.697 -11.931 1.00 4.42 H new ATOM 0 HD2 PRO A 87 10.044 -0.334 -9.983 1.00 50.41 H new ATOM 0 HD3 PRO A 87 10.121 -1.696 -11.083 1.00 50.41 H new ATOM 1237 N TYR A 88 11.339 2.642 -11.588 1.00 3.24 N ATOM 1238 CA TYR A 88 11.499 4.073 -11.353 1.00 35.34 C ATOM 1239 C TYR A 88 10.419 4.867 -12.081 1.00 73.42 C ATOM 1240 O TYR A 88 10.637 5.364 -13.187 1.00 40.41 O ATOM 1241 CB TYR A 88 12.884 4.534 -11.811 1.00 54.41 C ATOM 1242 CG TYR A 88 14.004 3.626 -11.361 1.00 1.14 C ATOM 1243 CD1 TYR A 88 14.256 3.419 -10.010 1.00 64.32 C ATOM 1244 CD2 TYR A 88 14.811 2.974 -12.285 1.00 22.33 C ATOM 1245 CE1 TYR A 88 15.281 2.591 -9.593 1.00 11.45 C ATOM 1246 CE2 TYR A 88 15.837 2.142 -11.876 1.00 74.04 C ATOM 1247 CZ TYR A 88 16.067 1.954 -10.530 1.00 22.14 C ATOM 1248 OH TYR A 88 17.088 1.127 -10.120 1.00 43.50 O ATOM 0 H TYR A 88 11.323 2.075 -10.740 1.00 3.24 H new ATOM 0 HA TYR A 88 11.399 4.254 -10.283 1.00 35.34 H new ATOM 0 HB2 TYR A 88 12.895 4.598 -12.899 1.00 54.41 H new ATOM 0 HB3 TYR A 88 13.067 5.539 -11.431 1.00 54.41 H new ATOM 0 HD1 TYR A 88 13.640 3.914 -9.273 1.00 64.32 H new ATOM 0 HD2 TYR A 88 14.634 3.119 -13.340 1.00 22.33 H new ATOM 0 HE1 TYR A 88 15.465 2.444 -8.539 1.00 11.45 H new ATOM 0 HE2 TYR A 88 16.455 1.642 -12.607 1.00 74.04 H new ATOM 0 HH TYR A 88 16.727 0.424 -9.540 1.00 43.50 H new ATOM 1257 N PHE A 89 9.254 4.983 -11.454 1.00 0.53 N ATOM 1258 CA PHE A 89 8.138 5.716 -12.040 1.00 41.00 C ATOM 1259 C PHE A 89 8.250 7.208 -11.739 1.00 74.54 C ATOM 1260 O PHE A 89 9.240 7.665 -11.170 1.00 45.45 O ATOM 1261 CB PHE A 89 6.809 5.176 -11.509 1.00 43.12 C ATOM 1262 CG PHE A 89 6.528 3.761 -11.925 1.00 73.00 C ATOM 1263 CD1 PHE A 89 6.400 3.430 -13.265 1.00 51.34 C ATOM 1264 CD2 PHE A 89 6.392 2.759 -10.977 1.00 4.40 C ATOM 1265 CE1 PHE A 89 6.140 2.129 -13.650 1.00 45.12 C ATOM 1266 CE2 PHE A 89 6.133 1.456 -11.356 1.00 23.45 C ATOM 1267 CZ PHE A 89 6.009 1.140 -12.695 1.00 12.50 C ATOM 0 H PHE A 89 9.058 4.578 -10.539 1.00 0.53 H new ATOM 0 HA PHE A 89 8.172 5.577 -13.121 1.00 41.00 H new ATOM 0 HB2 PHE A 89 6.812 5.232 -10.420 1.00 43.12 H new ATOM 0 HB3 PHE A 89 6.000 5.817 -11.859 1.00 43.12 H new ATOM 0 HD1 PHE A 89 6.505 4.198 -14.017 1.00 51.34 H new ATOM 0 HD2 PHE A 89 6.490 3.000 -9.929 1.00 4.40 H new ATOM 0 HE1 PHE A 89 6.039 1.885 -14.697 1.00 45.12 H new ATOM 0 HE2 PHE A 89 6.028 0.686 -10.607 1.00 23.45 H new ATOM 0 HZ PHE A 89 5.810 0.122 -12.994 1.00 12.50 H new ATOM 1276 N GLY A 90 7.227 7.963 -12.129 1.00 72.02 N ATOM 1277 CA GLY A 90 7.230 9.395 -11.895 1.00 50.42 C ATOM 1278 C GLY A 90 7.055 9.743 -10.430 1.00 25.14 C ATOM 1279 O GLY A 90 7.980 10.244 -9.790 1.00 40.10 O ATOM 0 H GLY A 90 6.396 7.608 -12.603 1.00 72.02 H new ATOM 0 HA2 GLY A 90 8.168 9.817 -12.256 1.00 50.42 H new ATOM 0 HA3 GLY A 90 6.429 9.856 -12.473 1.00 50.42 H new ATOM 1283 N SER A 91 5.866 9.477 -9.897 1.00 62.50 N ATOM 1284 CA SER A 91 5.572 9.771 -8.500 1.00 62.41 C ATOM 1285 C SER A 91 4.682 8.690 -7.894 1.00 51.50 C ATOM 1286 O SER A 91 4.260 7.759 -8.581 1.00 53.32 O ATOM 1287 CB SER A 91 4.894 11.136 -8.375 1.00 40.32 C ATOM 1288 OG SER A 91 5.646 12.006 -7.548 1.00 64.35 O ATOM 0 H SER A 91 5.091 9.059 -10.412 1.00 62.50 H new ATOM 0 HA SER A 91 6.514 9.791 -7.952 1.00 62.41 H new ATOM 0 HB2 SER A 91 4.778 11.580 -9.364 1.00 40.32 H new ATOM 0 HB3 SER A 91 3.893 11.012 -7.962 1.00 40.32 H new ATOM 0 HG SER A 91 5.192 12.872 -7.486 1.00 64.35 H new ATOM 1293 N LEU A 92 4.399 8.821 -6.603 1.00 2.20 N ATOM 1294 CA LEU A 92 3.559 7.856 -5.902 1.00 2.34 C ATOM 1295 C LEU A 92 2.241 7.645 -6.640 1.00 54.10 C ATOM 1296 O LEU A 92 1.711 6.534 -6.680 1.00 44.44 O ATOM 1297 CB LEU A 92 3.285 8.331 -4.474 1.00 25.02 C ATOM 1298 CG LEU A 92 4.345 7.966 -3.431 1.00 54.24 C ATOM 1299 CD1 LEU A 92 5.112 9.204 -2.996 1.00 65.32 C ATOM 1300 CD2 LEU A 92 3.700 7.286 -2.233 1.00 11.32 C ATOM 0 H LEU A 92 4.739 9.586 -6.020 1.00 2.20 H new ATOM 0 HA LEU A 92 4.092 6.906 -5.867 1.00 2.34 H new ATOM 0 HB2 LEU A 92 3.175 9.415 -4.488 1.00 25.02 H new ATOM 0 HB3 LEU A 92 2.329 7.918 -4.152 1.00 25.02 H new ATOM 0 HG LEU A 92 5.050 7.268 -3.883 1.00 54.24 H new ATOM 0 HD11 LEU A 92 5.861 8.926 -2.255 1.00 65.32 H new ATOM 0 HD12 LEU A 92 5.605 9.649 -3.860 1.00 65.32 H new ATOM 0 HD13 LEU A 92 4.421 9.926 -2.561 1.00 65.32 H new ATOM 0 HD21 LEU A 92 4.467 7.033 -1.501 1.00 11.32 H new ATOM 0 HD22 LEU A 92 2.974 7.960 -1.779 1.00 11.32 H new ATOM 0 HD23 LEU A 92 3.196 6.376 -2.559 1.00 11.32 H new ATOM 1311 N SER A 93 1.718 8.718 -7.225 1.00 54.30 N ATOM 1312 CA SER A 93 0.460 8.651 -7.961 1.00 50.15 C ATOM 1313 C SER A 93 0.630 7.860 -9.255 1.00 41.32 C ATOM 1314 O SER A 93 -0.280 7.154 -9.688 1.00 4.32 O ATOM 1315 CB SER A 93 -0.048 10.060 -8.273 1.00 40.12 C ATOM 1316 OG SER A 93 -0.706 10.625 -7.152 1.00 61.53 O ATOM 0 H SER A 93 2.145 9.644 -7.204 1.00 54.30 H new ATOM 0 HA SER A 93 -0.272 8.139 -7.336 1.00 50.15 H new ATOM 0 HB2 SER A 93 0.788 10.695 -8.566 1.00 40.12 H new ATOM 0 HB3 SER A 93 -0.733 10.024 -9.120 1.00 40.12 H new ATOM 0 HG SER A 93 -1.020 11.526 -7.377 1.00 61.53 H new ATOM 1321 N ALA A 94 1.802 7.986 -9.869 1.00 5.43 N ATOM 1322 CA ALA A 94 2.094 7.282 -11.111 1.00 52.44 C ATOM 1323 C ALA A 94 2.159 5.775 -10.887 1.00 41.33 C ATOM 1324 O ALA A 94 1.592 4.999 -11.656 1.00 12.35 O ATOM 1325 CB ALA A 94 3.399 7.786 -11.709 1.00 63.01 C ATOM 0 H ALA A 94 2.565 8.570 -9.526 1.00 5.43 H new ATOM 0 HA ALA A 94 1.284 7.483 -11.812 1.00 52.44 H new ATOM 0 HB1 ALA A 94 3.605 7.251 -12.636 1.00 63.01 H new ATOM 0 HB2 ALA A 94 3.316 8.853 -11.916 1.00 63.01 H new ATOM 0 HB3 ALA A 94 4.212 7.615 -11.004 1.00 63.01 H new ATOM 1331 N LEU A 95 2.855 5.369 -9.831 1.00 70.41 N ATOM 1332 CA LEU A 95 2.995 3.954 -9.506 1.00 25.33 C ATOM 1333 C LEU A 95 1.687 3.388 -8.963 1.00 51.01 C ATOM 1334 O LEU A 95 1.385 2.209 -9.147 1.00 0.24 O ATOM 1335 CB LEU A 95 4.115 3.754 -8.483 1.00 53.42 C ATOM 1336 CG LEU A 95 4.011 4.585 -7.203 1.00 73.24 C ATOM 1337 CD1 LEU A 95 3.102 3.901 -6.194 1.00 33.34 C ATOM 1338 CD2 LEU A 95 5.390 4.820 -6.606 1.00 65.44 C ATOM 0 H LEU A 95 3.331 5.999 -9.185 1.00 70.41 H new ATOM 0 HA LEU A 95 3.248 3.419 -10.422 1.00 25.33 H new ATOM 0 HB2 LEU A 95 4.144 2.700 -8.207 1.00 53.42 H new ATOM 0 HB3 LEU A 95 5.065 3.983 -8.965 1.00 53.42 H new ATOM 0 HG LEU A 95 3.576 5.552 -7.456 1.00 73.24 H new ATOM 0 HD11 LEU A 95 3.041 4.507 -5.290 1.00 33.34 H new ATOM 0 HD12 LEU A 95 2.106 3.785 -6.622 1.00 33.34 H new ATOM 0 HD13 LEU A 95 3.507 2.920 -5.946 1.00 33.34 H new ATOM 0 HD21 LEU A 95 5.296 5.413 -5.696 1.00 65.44 H new ATOM 0 HD22 LEU A 95 5.852 3.862 -6.369 1.00 65.44 H new ATOM 0 HD23 LEU A 95 6.011 5.354 -7.325 1.00 65.44 H new ATOM 1349 N VAL A 96 0.913 4.237 -8.294 1.00 71.45 N ATOM 1350 CA VAL A 96 -0.365 3.823 -7.727 1.00 71.01 C ATOM 1351 C VAL A 96 -1.390 3.551 -8.822 1.00 72.43 C ATOM 1352 O VAL A 96 -2.137 2.574 -8.760 1.00 12.30 O ATOM 1353 CB VAL A 96 -0.925 4.889 -6.768 1.00 50.25 C ATOM 1354 CG1 VAL A 96 -2.441 4.783 -6.677 1.00 63.51 C ATOM 1355 CG2 VAL A 96 -0.290 4.754 -5.393 1.00 41.24 C ATOM 0 H VAL A 96 1.149 5.216 -8.131 1.00 71.45 H new ATOM 0 HA VAL A 96 -0.181 2.904 -7.170 1.00 71.01 H new ATOM 0 HB VAL A 96 -0.677 5.874 -7.163 1.00 50.25 H new ATOM 0 HG11 VAL A 96 -2.819 5.544 -5.995 1.00 63.51 H new ATOM 0 HG12 VAL A 96 -2.876 4.933 -7.665 1.00 63.51 H new ATOM 0 HG13 VAL A 96 -2.715 3.795 -6.306 1.00 63.51 H new ATOM 0 HG21 VAL A 96 -0.697 5.515 -4.728 1.00 41.24 H new ATOM 0 HG22 VAL A 96 -0.506 3.765 -4.988 1.00 41.24 H new ATOM 0 HG23 VAL A 96 0.789 4.884 -5.476 1.00 41.24 H new ATOM 1365 N SER A 97 -1.419 4.420 -9.828 1.00 42.41 N ATOM 1366 CA SER A 97 -2.355 4.276 -10.936 1.00 50.52 C ATOM 1367 C SER A 97 -1.954 3.114 -11.838 1.00 31.03 C ATOM 1368 O SER A 97 -2.805 2.365 -12.319 1.00 43.14 O ATOM 1369 CB SER A 97 -2.418 5.570 -11.750 1.00 70.02 C ATOM 1370 OG SER A 97 -3.247 6.531 -11.119 1.00 74.10 O ATOM 0 H SER A 97 -0.805 5.231 -9.898 1.00 42.41 H new ATOM 0 HA SER A 97 -3.341 4.068 -10.521 1.00 50.52 H new ATOM 0 HB2 SER A 97 -1.414 5.976 -11.872 1.00 70.02 H new ATOM 0 HB3 SER A 97 -2.799 5.357 -12.749 1.00 70.02 H new ATOM 0 HG SER A 97 -3.269 7.349 -11.658 1.00 74.10 H new ATOM 1375 N GLN A 98 -0.652 2.969 -12.062 1.00 62.30 N ATOM 1376 CA GLN A 98 -0.137 1.897 -12.907 1.00 1.44 C ATOM 1377 C GLN A 98 -0.264 0.547 -12.210 1.00 21.45 C ATOM 1378 O GLN A 98 -0.414 -0.488 -12.861 1.00 73.00 O ATOM 1379 CB GLN A 98 1.325 2.163 -13.270 1.00 2.32 C ATOM 1380 CG GLN A 98 1.518 2.667 -14.690 1.00 11.01 C ATOM 1381 CD GLN A 98 0.881 1.758 -15.723 1.00 52.24 C ATOM 1382 OE1 GLN A 98 -0.007 2.173 -16.468 1.00 54.45 O ATOM 1383 NE2 GLN A 98 1.331 0.510 -15.773 1.00 63.22 N ATOM 0 H GLN A 98 0.065 3.580 -11.671 1.00 62.30 H new ATOM 0 HA GLN A 98 -0.731 1.870 -13.821 1.00 1.44 H new ATOM 0 HB2 GLN A 98 1.736 2.895 -12.575 1.00 2.32 H new ATOM 0 HB3 GLN A 98 1.896 1.244 -13.139 1.00 2.32 H new ATOM 0 HG2 GLN A 98 1.091 3.666 -14.778 1.00 11.01 H new ATOM 0 HG3 GLN A 98 2.584 2.756 -14.898 1.00 11.01 H new ATOM 0 HE21 GLN A 98 2.069 0.208 -15.137 1.00 63.22 H new ATOM 0 HE22 GLN A 98 0.939 -0.147 -16.448 1.00 63.22 H new ATOM 1390 N HIS A 99 -0.199 0.563 -10.883 1.00 15.33 N ATOM 1391 CA HIS A 99 -0.307 -0.662 -10.097 1.00 30.11 C ATOM 1392 C HIS A 99 -1.634 -1.365 -10.366 1.00 73.31 C ATOM 1393 O HIS A 99 -1.779 -2.560 -10.108 1.00 44.40 O ATOM 1394 CB HIS A 99 -0.175 -0.349 -8.606 1.00 15.04 C ATOM 1395 CG HIS A 99 1.221 -0.497 -8.085 1.00 24.42 C ATOM 1396 ND1 HIS A 99 1.531 -0.458 -6.742 1.00 0.05 N ATOM 1397 CD2 HIS A 99 2.393 -0.686 -8.735 1.00 22.03 C ATOM 1398 CE1 HIS A 99 2.834 -0.616 -6.589 1.00 44.54 C ATOM 1399 NE2 HIS A 99 3.380 -0.757 -7.783 1.00 5.40 N ATOM 0 H HIS A 99 -0.072 1.410 -10.329 1.00 15.33 H new ATOM 0 HA HIS A 99 0.503 -1.328 -10.394 1.00 30.11 H new ATOM 0 HB2 HIS A 99 -0.515 0.671 -8.426 1.00 15.04 H new ATOM 0 HB3 HIS A 99 -0.836 -1.010 -8.044 1.00 15.04 H new ATOM 0 HD1 HIS A 99 0.860 -0.328 -5.985 1.00 0.05 H new ATOM 0 HD2 HIS A 99 2.527 -0.766 -9.804 1.00 22.03 H new ATOM 0 HE1 HIS A 99 3.363 -0.628 -5.647 1.00 44.54 H new ATOM 1406 N SER A 100 -2.601 -0.616 -10.887 1.00 1.31 N ATOM 1407 CA SER A 100 -3.917 -1.166 -11.186 1.00 54.34 C ATOM 1408 C SER A 100 -3.957 -1.743 -12.598 1.00 11.43 C ATOM 1409 O SER A 100 -5.011 -2.157 -13.082 1.00 44.11 O ATOM 1410 CB SER A 100 -4.992 -0.087 -11.034 1.00 60.41 C ATOM 1411 OG SER A 100 -5.317 0.489 -12.288 1.00 33.01 O ATOM 0 H SER A 100 -2.497 0.374 -11.111 1.00 1.31 H new ATOM 0 HA SER A 100 -4.116 -1.970 -10.477 1.00 54.34 H new ATOM 0 HB2 SER A 100 -5.886 -0.521 -10.587 1.00 60.41 H new ATOM 0 HB3 SER A 100 -4.640 0.689 -10.354 1.00 60.41 H new ATOM 0 HG SER A 100 -4.645 1.163 -12.523 1.00 33.01 H new ATOM 1416 N ILE A 101 -2.800 -1.768 -13.252 1.00 12.34 N ATOM 1417 CA ILE A 101 -2.702 -2.296 -14.608 1.00 2.32 C ATOM 1418 C ILE A 101 -1.538 -3.273 -14.733 1.00 74.35 C ATOM 1419 O ILE A 101 -1.642 -4.293 -15.413 1.00 21.55 O ATOM 1420 CB ILE A 101 -2.524 -1.167 -15.640 1.00 4.33 C ATOM 1421 CG1 ILE A 101 -3.655 -0.144 -15.509 1.00 75.30 C ATOM 1422 CG2 ILE A 101 -2.478 -1.739 -17.048 1.00 14.43 C ATOM 1423 CD1 ILE A 101 -3.450 1.093 -16.354 1.00 54.43 C ATOM 0 H ILE A 101 -1.919 -1.429 -12.866 1.00 12.34 H new ATOM 0 HA ILE A 101 -3.636 -2.819 -14.812 1.00 2.32 H new ATOM 0 HB ILE A 101 -1.578 -0.661 -15.445 1.00 4.33 H new ATOM 0 HG12 ILE A 101 -4.596 -0.616 -15.792 1.00 75.30 H new ATOM 0 HG13 ILE A 101 -3.748 0.151 -14.464 1.00 75.30 H new ATOM 0 HG21 ILE A 101 -2.352 -0.929 -17.766 1.00 14.43 H new ATOM 0 HG22 ILE A 101 -1.641 -2.432 -17.132 1.00 14.43 H new ATOM 0 HG23 ILE A 101 -3.408 -2.267 -17.257 1.00 14.43 H new ATOM 0 HD11 ILE A 101 -4.289 1.774 -16.212 1.00 54.43 H new ATOM 0 HD12 ILE A 101 -2.526 1.588 -16.056 1.00 54.43 H new ATOM 0 HD13 ILE A 101 -3.387 0.810 -17.405 1.00 54.43 H new ATOM 1434 N SER A 102 -0.430 -2.953 -14.072 1.00 51.32 N ATOM 1435 CA SER A 102 0.755 -3.802 -14.112 1.00 5.11 C ATOM 1436 C SER A 102 1.487 -3.775 -12.773 1.00 10.13 C ATOM 1437 O SER A 102 2.471 -3.058 -12.588 1.00 73.13 O ATOM 1438 CB SER A 102 1.697 -3.348 -15.229 1.00 42.41 C ATOM 1439 OG SER A 102 1.004 -3.220 -16.459 1.00 42.31 O ATOM 0 H SER A 102 -0.328 -2.113 -13.503 1.00 51.32 H new ATOM 0 HA SER A 102 0.433 -4.824 -14.311 1.00 5.11 H new ATOM 0 HB2 SER A 102 2.150 -2.393 -14.962 1.00 42.41 H new ATOM 0 HB3 SER A 102 2.509 -4.066 -15.339 1.00 42.41 H new ATOM 0 HG SER A 102 1.627 -2.927 -17.157 1.00 42.31 H new ATOM 1444 N PRO A 103 0.996 -4.577 -11.815 1.00 65.45 N ATOM 1445 CA PRO A 103 1.588 -4.664 -10.477 1.00 42.12 C ATOM 1446 C PRO A 103 2.950 -5.349 -10.489 1.00 61.51 C ATOM 1447 O PRO A 103 3.120 -6.403 -11.102 1.00 25.13 O ATOM 1448 CB PRO A 103 0.575 -5.503 -9.696 1.00 34.44 C ATOM 1449 CG PRO A 103 -0.123 -6.316 -10.732 1.00 51.40 C ATOM 1450 CD PRO A 103 -0.172 -5.459 -11.966 1.00 51.14 C ATOM 0 HA PRO A 103 1.769 -3.679 -10.047 1.00 42.12 H new ATOM 0 HB2 PRO A 103 1.070 -6.138 -8.961 1.00 34.44 H new ATOM 0 HB3 PRO A 103 -0.126 -4.871 -9.150 1.00 34.44 H new ATOM 0 HG2 PRO A 103 0.412 -7.246 -10.924 1.00 51.40 H new ATOM 0 HG3 PRO A 103 -1.127 -6.587 -10.405 1.00 51.40 H new ATOM 0 HD2 PRO A 103 -0.108 -6.058 -12.874 1.00 51.14 H new ATOM 0 HD3 PRO A 103 -1.100 -4.890 -12.024 1.00 51.14 H new ATOM 1455 N ILE A 104 3.918 -4.743 -9.809 1.00 13.01 N ATOM 1456 CA ILE A 104 5.265 -5.296 -9.740 1.00 62.45 C ATOM 1457 C ILE A 104 5.431 -6.188 -8.514 1.00 72.53 C ATOM 1458 O ILE A 104 5.491 -7.412 -8.628 1.00 74.52 O ATOM 1459 CB ILE A 104 6.329 -4.183 -9.700 1.00 70.43 C ATOM 1460 CG1 ILE A 104 6.220 -3.298 -10.943 1.00 61.51 C ATOM 1461 CG2 ILE A 104 7.722 -4.786 -9.592 1.00 72.20 C ATOM 1462 CD1 ILE A 104 6.544 -4.023 -12.231 1.00 73.42 C ATOM 0 H ILE A 104 3.794 -3.869 -9.298 1.00 13.01 H new ATOM 0 HA ILE A 104 5.408 -5.892 -10.641 1.00 62.45 H new ATOM 0 HB ILE A 104 6.153 -3.564 -8.820 1.00 70.43 H new ATOM 0 HG12 ILE A 104 5.209 -2.897 -11.006 1.00 61.51 H new ATOM 0 HG13 ILE A 104 6.894 -2.448 -10.834 1.00 61.51 H new ATOM 0 HG21 ILE A 104 8.463 -3.987 -9.565 1.00 72.20 H new ATOM 0 HG22 ILE A 104 7.793 -5.378 -8.679 1.00 72.20 H new ATOM 0 HG23 ILE A 104 7.909 -5.426 -10.454 1.00 72.20 H new ATOM 0 HD11 ILE A 104 6.446 -3.335 -13.070 1.00 73.42 H new ATOM 0 HD12 ILE A 104 7.565 -4.401 -12.189 1.00 73.42 H new ATOM 0 HD13 ILE A 104 5.854 -4.856 -12.363 1.00 73.42 H new ATOM 1473 N SER A 105 5.505 -5.566 -7.342 1.00 50.32 N ATOM 1474 CA SER A 105 5.666 -6.302 -6.095 1.00 30.15 C ATOM 1475 C SER A 105 4.314 -6.555 -5.433 1.00 61.42 C ATOM 1476 O SER A 105 4.193 -6.519 -4.209 1.00 11.14 O ATOM 1477 CB SER A 105 6.579 -5.532 -5.138 1.00 34.23 C ATOM 1478 OG SER A 105 5.941 -4.362 -4.656 1.00 62.55 O ATOM 0 H SER A 105 5.456 -4.553 -7.230 1.00 50.32 H new ATOM 0 HA SER A 105 6.122 -7.264 -6.327 1.00 30.15 H new ATOM 0 HB2 SER A 105 6.854 -6.172 -4.299 1.00 34.23 H new ATOM 0 HB3 SER A 105 7.503 -5.262 -5.650 1.00 34.23 H new ATOM 0 HG SER A 105 5.832 -4.425 -3.684 1.00 62.55 H new ATOM 1483 N LEU A 106 3.301 -6.808 -6.254 1.00 15.04 N ATOM 1484 CA LEU A 106 1.957 -7.067 -5.750 1.00 14.30 C ATOM 1485 C LEU A 106 1.383 -8.343 -6.359 1.00 12.15 C ATOM 1486 O LEU A 106 1.759 -8.761 -7.454 1.00 65.51 O ATOM 1487 CB LEU A 106 1.038 -5.884 -6.060 1.00 4.01 C ATOM 1488 CG LEU A 106 1.692 -4.502 -6.033 1.00 31.44 C ATOM 1489 CD1 LEU A 106 0.728 -3.445 -6.551 1.00 4.11 C ATOM 1490 CD2 LEU A 106 2.157 -4.159 -4.625 1.00 33.31 C ATOM 0 H LEU A 106 3.384 -6.839 -7.270 1.00 15.04 H new ATOM 0 HA LEU A 106 2.020 -7.198 -4.670 1.00 14.30 H new ATOM 0 HB2 LEU A 106 0.601 -6.038 -7.047 1.00 4.01 H new ATOM 0 HB3 LEU A 106 0.217 -5.890 -5.343 1.00 4.01 H new ATOM 0 HG LEU A 106 2.564 -4.521 -6.687 1.00 31.44 H new ATOM 0 HD11 LEU A 106 1.211 -2.468 -6.524 1.00 4.11 H new ATOM 0 HD12 LEU A 106 0.445 -3.682 -7.577 1.00 4.11 H new ATOM 0 HD13 LEU A 106 -0.163 -3.427 -5.924 1.00 4.11 H new ATOM 0 HD21 LEU A 106 2.620 -3.172 -4.625 1.00 33.31 H new ATOM 0 HD22 LEU A 106 1.302 -4.159 -3.949 1.00 33.31 H new ATOM 0 HD23 LEU A 106 2.883 -4.900 -4.291 1.00 33.31 H new ATOM 1501 N PRO A 107 0.448 -8.977 -5.635 1.00 62.34 N ATOM 1502 CA PRO A 107 -0.199 -10.212 -6.085 1.00 32.25 C ATOM 1503 C PRO A 107 -1.133 -9.980 -7.268 1.00 51.32 C ATOM 1504 O PRO A 107 -1.275 -10.840 -8.138 1.00 33.35 O ATOM 1505 CB PRO A 107 -0.993 -10.665 -4.857 1.00 45.21 C ATOM 1506 CG PRO A 107 -1.246 -9.414 -4.088 1.00 11.10 C ATOM 1507 CD PRO A 107 -0.049 -8.536 -4.321 1.00 64.23 C ATOM 0 HA PRO A 107 0.526 -10.947 -6.436 1.00 32.25 H new ATOM 0 HB2 PRO A 107 -1.926 -11.148 -5.145 1.00 45.21 H new ATOM 0 HB3 PRO A 107 -0.430 -11.387 -4.265 1.00 45.21 H new ATOM 0 HG2 PRO A 107 -2.160 -8.926 -4.427 1.00 11.10 H new ATOM 0 HG3 PRO A 107 -1.373 -9.627 -3.027 1.00 11.10 H new ATOM 0 HD2 PRO A 107 -0.320 -7.480 -4.328 1.00 64.23 H new ATOM 0 HD3 PRO A 107 0.703 -8.667 -3.543 1.00 64.23 H new ATOM 1512 N CYS A 108 -1.768 -8.814 -7.294 1.00 41.11 N ATOM 1513 CA CYS A 108 -2.689 -8.468 -8.370 1.00 54.41 C ATOM 1514 C CYS A 108 -2.765 -6.957 -8.557 1.00 41.43 C ATOM 1515 O CYS A 108 -2.100 -6.199 -7.848 1.00 53.04 O ATOM 1516 CB CYS A 108 -4.082 -9.028 -8.077 1.00 4.31 C ATOM 1517 SG CYS A 108 -4.717 -10.136 -9.357 1.00 12.01 S ATOM 0 H CYS A 108 -1.662 -8.092 -6.582 1.00 41.11 H new ATOM 0 HA CYS A 108 -2.313 -8.911 -9.292 1.00 54.41 H new ATOM 0 HB2 CYS A 108 -4.054 -9.564 -7.129 1.00 4.31 H new ATOM 0 HB3 CYS A 108 -4.777 -8.197 -7.953 1.00 4.31 H new ATOM 0 HG CYS A 108 -5.898 -10.559 -9.018 1.00 12.01 H new ATOM 1522 N CYS A 109 -3.576 -6.523 -9.516 1.00 12.05 N ATOM 1523 CA CYS A 109 -3.737 -5.101 -9.798 1.00 35.25 C ATOM 1524 C CYS A 109 -4.485 -4.404 -8.667 1.00 50.31 C ATOM 1525 O CYS A 109 -5.522 -4.884 -8.205 1.00 41.42 O ATOM 1526 CB CYS A 109 -4.483 -4.904 -11.118 1.00 72.23 C ATOM 1527 SG CYS A 109 -3.857 -5.916 -12.479 1.00 42.33 S ATOM 0 H CYS A 109 -4.133 -7.136 -10.112 1.00 12.05 H new ATOM 0 HA CYS A 109 -2.745 -4.657 -9.880 1.00 35.25 H new ATOM 0 HB2 CYS A 109 -5.538 -5.133 -10.964 1.00 72.23 H new ATOM 0 HB3 CYS A 109 -4.423 -3.854 -11.403 1.00 72.23 H new ATOM 0 HG CYS A 109 -4.553 -5.680 -13.551 1.00 42.33 H new ATOM 1532 N LEU A 110 -3.953 -3.271 -8.224 1.00 1.50 N ATOM 1533 CA LEU A 110 -4.570 -2.507 -7.144 1.00 44.23 C ATOM 1534 C LEU A 110 -5.978 -2.063 -7.527 1.00 11.12 C ATOM 1535 O LEU A 110 -6.248 -1.757 -8.688 1.00 54.22 O ATOM 1536 CB LEU A 110 -3.713 -1.286 -6.803 1.00 61.22 C ATOM 1537 CG LEU A 110 -4.164 -0.466 -5.593 1.00 34.54 C ATOM 1538 CD1 LEU A 110 -2.968 -0.067 -4.743 1.00 30.24 C ATOM 1539 CD2 LEU A 110 -4.936 0.765 -6.042 1.00 54.30 C ATOM 0 H LEU A 110 -3.096 -2.860 -8.595 1.00 1.50 H new ATOM 0 HA LEU A 110 -4.638 -3.152 -6.268 1.00 44.23 H new ATOM 0 HB2 LEU A 110 -2.691 -1.622 -6.629 1.00 61.22 H new ATOM 0 HB3 LEU A 110 -3.689 -0.630 -7.673 1.00 61.22 H new ATOM 0 HG LEU A 110 -4.825 -1.084 -4.985 1.00 34.54 H new ATOM 0 HD11 LEU A 110 -3.308 0.516 -3.887 1.00 30.24 H new ATOM 0 HD12 LEU A 110 -2.456 -0.963 -4.392 1.00 30.24 H new ATOM 0 HD13 LEU A 110 -2.281 0.533 -5.340 1.00 30.24 H new ATOM 0 HD21 LEU A 110 -5.249 1.337 -5.168 1.00 54.30 H new ATOM 0 HD22 LEU A 110 -4.298 1.385 -6.672 1.00 54.30 H new ATOM 0 HD23 LEU A 110 -5.815 0.457 -6.608 1.00 54.30 H new ATOM 1550 N ARG A 111 -6.869 -2.027 -6.542 1.00 33.32 N ATOM 1551 CA ARG A 111 -8.250 -1.620 -6.775 1.00 32.31 C ATOM 1552 C ARG A 111 -8.459 -0.160 -6.384 1.00 31.32 C ATOM 1553 O ARG A 111 -8.157 0.240 -5.260 1.00 3.21 O ATOM 1554 CB ARG A 111 -9.208 -2.514 -5.986 1.00 54.34 C ATOM 1555 CG ARG A 111 -9.954 -3.518 -6.848 1.00 54.34 C ATOM 1556 CD ARG A 111 -9.021 -4.589 -7.390 1.00 34.03 C ATOM 1557 NE ARG A 111 -9.574 -5.253 -8.568 1.00 1.22 N ATOM 1558 CZ ARG A 111 -10.586 -6.112 -8.518 1.00 11.11 C ATOM 1559 NH1 ARG A 111 -11.152 -6.410 -7.357 1.00 11.20 N ATOM 1560 NH2 ARG A 111 -11.035 -6.676 -9.633 1.00 64.51 N ATOM 0 H ARG A 111 -6.660 -2.275 -5.575 1.00 33.32 H new ATOM 0 HA ARG A 111 -8.460 -1.727 -7.839 1.00 32.31 H new ATOM 0 HB2 ARG A 111 -8.645 -3.051 -5.223 1.00 54.34 H new ATOM 0 HB3 ARG A 111 -9.932 -1.886 -5.466 1.00 54.34 H new ATOM 0 HG2 ARG A 111 -10.745 -3.986 -6.262 1.00 54.34 H new ATOM 0 HG3 ARG A 111 -10.436 -3.000 -7.677 1.00 54.34 H new ATOM 0 HD2 ARG A 111 -8.062 -4.139 -7.645 1.00 34.03 H new ATOM 0 HD3 ARG A 111 -8.829 -5.329 -6.613 1.00 34.03 H new ATOM 0 HE ARG A 111 -9.161 -5.046 -9.477 1.00 1.22 H new ATOM 0 HH11 ARG A 111 -10.811 -5.979 -6.498 1.00 11.20 H new ATOM 0 HH12 ARG A 111 -11.929 -7.070 -7.323 1.00 11.20 H new ATOM 0 HH21 ARG A 111 -10.603 -6.450 -10.529 1.00 64.51 H new ATOM 0 HH22 ARG A 111 -11.812 -7.336 -9.594 1.00 64.51 H new ATOM 1571 N ILE A 112 -8.977 0.629 -7.318 1.00 70.51 N ATOM 1572 CA ILE A 112 -9.227 2.043 -7.071 1.00 45.42 C ATOM 1573 C ILE A 112 -10.721 2.349 -7.084 1.00 5.35 C ATOM 1574 O ILE A 112 -11.252 2.938 -8.026 1.00 22.43 O ATOM 1575 CB ILE A 112 -8.524 2.931 -8.115 1.00 74.32 C ATOM 1576 CG1 ILE A 112 -7.025 2.623 -8.152 1.00 52.01 C ATOM 1577 CG2 ILE A 112 -8.761 4.402 -7.806 1.00 32.33 C ATOM 1578 CD1 ILE A 112 -6.510 2.297 -9.537 1.00 12.14 C ATOM 0 H ILE A 112 -9.232 0.313 -8.254 1.00 70.51 H new ATOM 0 HA ILE A 112 -8.821 2.266 -6.084 1.00 45.42 H new ATOM 0 HB ILE A 112 -8.945 2.714 -9.097 1.00 74.32 H new ATOM 0 HG12 ILE A 112 -6.476 3.480 -7.761 1.00 52.01 H new ATOM 0 HG13 ILE A 112 -6.818 1.783 -7.489 1.00 52.01 H new ATOM 0 HG21 ILE A 112 -8.258 5.016 -8.553 1.00 32.33 H new ATOM 0 HG22 ILE A 112 -9.831 4.610 -7.826 1.00 32.33 H new ATOM 0 HG23 ILE A 112 -8.364 4.635 -6.818 1.00 32.33 H new ATOM 0 HD11 ILE A 112 -5.441 2.089 -9.488 1.00 12.14 H new ATOM 0 HD12 ILE A 112 -7.032 1.422 -9.923 1.00 12.14 H new ATOM 0 HD13 ILE A 112 -6.685 3.145 -10.199 1.00 12.14 H new ATOM 1589 N PRO A 113 -11.417 1.940 -6.013 1.00 43.13 N ATOM 1590 CA PRO A 113 -12.860 2.161 -5.876 1.00 40.20 C ATOM 1591 C PRO A 113 -13.204 3.631 -5.661 1.00 62.23 C ATOM 1592 O PRO A 113 -13.343 4.087 -4.526 1.00 22.04 O ATOM 1593 CB PRO A 113 -13.228 1.339 -4.638 1.00 43.42 C ATOM 1594 CG PRO A 113 -11.968 1.259 -3.848 1.00 45.10 C ATOM 1595 CD PRO A 113 -10.850 1.232 -4.853 1.00 61.10 C ATOM 0 HA PRO A 113 -13.404 1.871 -6.775 1.00 40.20 H new ATOM 0 HB2 PRO A 113 -14.023 1.818 -4.067 1.00 43.42 H new ATOM 0 HB3 PRO A 113 -13.586 0.347 -4.914 1.00 43.42 H new ATOM 0 HG2 PRO A 113 -11.871 2.115 -3.180 1.00 45.10 H new ATOM 0 HG3 PRO A 113 -11.954 0.365 -3.225 1.00 45.10 H new ATOM 0 HD2 PRO A 113 -9.958 1.731 -4.475 1.00 61.10 H new ATOM 0 HD3 PRO A 113 -10.562 0.212 -5.106 1.00 61.10 H new ATOM 1600 N SER A 114 -13.341 4.368 -6.758 1.00 65.55 N ATOM 1601 CA SER A 114 -13.665 5.788 -6.689 1.00 62.45 C ATOM 1602 C SER A 114 -15.114 5.995 -6.260 1.00 30.05 C ATOM 1603 O SER A 114 -15.486 7.066 -5.781 1.00 41.05 O ATOM 1604 CB SER A 114 -13.422 6.455 -8.046 1.00 11.52 C ATOM 1605 OG SER A 114 -12.910 5.526 -8.985 1.00 61.44 O ATOM 0 H SER A 114 -13.233 4.006 -7.705 1.00 65.55 H new ATOM 0 HA SER A 114 -13.015 6.248 -5.944 1.00 62.45 H new ATOM 0 HB2 SER A 114 -14.355 6.878 -8.419 1.00 11.52 H new ATOM 0 HB3 SER A 114 -12.722 7.282 -7.928 1.00 11.52 H new ATOM 0 HG SER A 114 -12.765 5.975 -9.844 1.00 61.44 H new ATOM 1610 N LYS A 115 -15.928 4.960 -6.435 1.00 14.04 N ATOM 1611 CA LYS A 115 -17.337 5.024 -6.065 1.00 35.22 C ATOM 1612 C LYS A 115 -17.785 3.726 -5.399 1.00 62.35 C ATOM 1613 O LYS A 115 -17.049 3.137 -4.607 1.00 50.53 O ATOM 1614 CB LYS A 115 -18.198 5.299 -7.300 1.00 3.11 C ATOM 1615 CG LYS A 115 -18.994 6.590 -7.212 1.00 2.33 C ATOM 1616 CD LYS A 115 -20.185 6.576 -8.154 1.00 53.00 C ATOM 1617 CE LYS A 115 -19.790 7.006 -9.558 1.00 43.34 C ATOM 1618 NZ LYS A 115 -20.790 6.574 -10.573 1.00 53.13 N ATOM 0 H LYS A 115 -15.636 4.066 -6.831 1.00 14.04 H new ATOM 0 HA LYS A 115 -17.463 5.839 -5.353 1.00 35.22 H new ATOM 0 HB2 LYS A 115 -17.555 5.338 -8.179 1.00 3.11 H new ATOM 0 HB3 LYS A 115 -18.887 4.467 -7.445 1.00 3.11 H new ATOM 0 HG2 LYS A 115 -19.340 6.736 -6.189 1.00 2.33 H new ATOM 0 HG3 LYS A 115 -18.348 7.434 -7.453 1.00 2.33 H new ATOM 0 HD2 LYS A 115 -20.613 5.574 -8.186 1.00 53.00 H new ATOM 0 HD3 LYS A 115 -20.960 7.242 -7.773 1.00 53.00 H new ATOM 0 HE2 LYS A 115 -19.686 8.091 -9.590 1.00 43.34 H new ATOM 0 HE3 LYS A 115 -18.816 6.585 -9.806 1.00 43.34 H new ATOM 0 HZ1 LYS A 115 -20.484 6.886 -11.517 1.00 53.13 H new ATOM 0 HZ2 LYS A 115 -20.871 5.537 -10.561 1.00 53.13 H new ATOM 0 HZ3 LYS A 115 -21.714 6.996 -10.351 1.00 53.13 H new TER 1628 LYS A 115