USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 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: B 44 THR OG1 : rot 144:sc= 1.07 USER MOD Set 1.2: B 47 SER OG : rot -64:sc= 0.458! USER MOD Set 2.1: A 44 THR OG1 : rot 143:sc= 1.23 USER MOD Set 2.2: A 47 SER OG : rot -81:sc= 0.276! USER MOD Single : A 1 ALA N :NH3+ -122:sc= -1.03 (180deg=-3.49!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -31:sc= -0.186 USER MOD Single : A 14 SER OG : rot -77:sc= 1.56 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.184! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -2.47 (180deg=-2.47) USER MOD Single : A 23 ASN : amide:sc=-0.00483 X(o=-0.0048,f=-0.0048) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 43:sc= -0.733 USER MOD Single : A 32 SER OG : rot -130:sc= -0.0487 USER MOD Single : A 33 SER OG : rot 180:sc= -0.162 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 43 GLN : amide:sc= -1.74! C(o=-1.7!,f=-4.1!) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 0.974 (180deg=0.301) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.59 K(o=-1.6,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.6) USER MOD Single : B 1 ALA N :NH3+ -117:sc= -1.05 (180deg=-3.45!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot -30:sc= -0.0955 USER MOD Single : B 14 SER OG : rot -88:sc= 1.52 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.0781! USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= -2.71 (180deg=-2.71) USER MOD Single : B 23 ASN : amide:sc=-0.00593 X(o=-0.0059,f=-0.0059) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 27:sc= -1.04 USER MOD Single : B 32 SER OG : rot -130:sc= -0.0498 USER MOD Single : B 33 SER OG : rot 180:sc= -0.157 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 43 GLN : amide:sc= -1.75! C(o=-1.8!,f=-4!) USER MOD Single : B 45 LYS NZ :NH3+ -170:sc= 1.11 (180deg=0.302) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.0047) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.015 17.194 -13.040 1.00 3.98 N ATOM 2 CA ALA A 1 -9.365 15.923 -12.615 1.00 3.41 C ATOM 3 C ALA A 1 -9.154 15.933 -11.094 1.00 2.89 C ATOM 4 O ALA A 1 -8.028 15.981 -10.637 1.00 2.91 O ATOM 5 CB ALA A 1 -8.009 15.793 -13.313 1.00 3.83 C ATOM 0 H1 ALA A 1 -10.909 16.981 -13.526 1.00 3.98 H new ATOM 0 H2 ALA A 1 -10.207 17.782 -12.204 1.00 3.98 H new ATOM 0 H3 ALA A 1 -9.383 17.708 -13.687 1.00 3.98 H new ATOM 0 HA ALA A 1 -10.003 15.081 -12.886 1.00 3.41 H new ATOM 0 HB1 ALA A 1 -7.529 14.864 -13.005 1.00 3.83 H new ATOM 0 HB2 ALA A 1 -8.155 15.785 -14.393 1.00 3.83 H new ATOM 0 HB3 ALA A 1 -7.376 16.637 -13.038 1.00 3.83 H new ATOM 13 N PRO A 2 -10.236 15.890 -10.343 1.00 2.53 N ATOM 14 CA PRO A 2 -10.152 15.897 -8.870 1.00 2.14 C ATOM 15 C PRO A 2 -9.430 14.630 -8.388 1.00 1.85 C ATOM 16 O PRO A 2 -9.370 13.636 -9.084 1.00 1.89 O ATOM 17 CB PRO A 2 -11.623 15.932 -8.386 1.00 1.96 C ATOM 18 CG PRO A 2 -12.532 15.876 -9.649 1.00 2.21 C ATOM 19 CD PRO A 2 -11.610 15.832 -10.889 1.00 2.60 C ATOM 0 HA PRO A 2 -9.589 16.744 -8.479 1.00 2.14 H new ATOM 0 HB2 PRO A 2 -11.830 15.089 -7.727 1.00 1.96 H new ATOM 0 HB3 PRO A 2 -11.817 16.839 -7.814 1.00 1.96 H new ATOM 0 HG2 PRO A 2 -13.175 14.996 -9.619 1.00 2.21 H new ATOM 0 HG3 PRO A 2 -13.186 16.747 -9.689 1.00 2.21 H new ATOM 0 HD2 PRO A 2 -11.768 14.921 -11.467 1.00 2.60 H new ATOM 0 HD3 PRO A 2 -11.806 16.671 -11.557 1.00 2.60 H new ATOM 27 N MET A 3 -8.883 14.661 -7.203 1.00 1.69 N ATOM 28 CA MET A 3 -8.170 13.461 -6.681 1.00 1.53 C ATOM 29 C MET A 3 -9.192 12.451 -6.153 1.00 1.17 C ATOM 30 O MET A 3 -10.311 12.796 -5.834 1.00 0.99 O ATOM 31 CB MET A 3 -7.233 13.879 -5.547 1.00 1.63 C ATOM 32 CG MET A 3 -6.447 15.123 -5.966 1.00 2.15 C ATOM 33 SD MET A 3 -5.176 15.480 -4.727 1.00 2.54 S ATOM 34 CE MET A 3 -4.296 16.752 -5.666 1.00 3.59 C ATOM 0 H MET A 3 -8.899 15.464 -6.575 1.00 1.69 H new ATOM 0 HA MET A 3 -7.589 13.005 -7.483 1.00 1.53 H new ATOM 0 HB2 MET A 3 -7.807 14.086 -4.644 1.00 1.63 H new ATOM 0 HB3 MET A 3 -6.547 13.066 -5.309 1.00 1.63 H new ATOM 0 HG2 MET A 3 -5.985 14.963 -6.940 1.00 2.15 H new ATOM 0 HG3 MET A 3 -7.120 15.974 -6.068 1.00 2.15 H new ATOM 0 HE1 MET A 3 -3.455 17.121 -5.079 1.00 3.59 H new ATOM 0 HE2 MET A 3 -3.928 16.326 -6.599 1.00 3.59 H new ATOM 0 HE3 MET A 3 -4.974 17.576 -5.886 1.00 3.59 H new ATOM 44 N GLY A 4 -8.815 11.205 -6.059 1.00 1.14 N ATOM 45 CA GLY A 4 -9.766 10.176 -5.552 1.00 0.89 C ATOM 46 C GLY A 4 -10.302 10.606 -4.186 1.00 0.62 C ATOM 47 O GLY A 4 -10.003 11.680 -3.704 1.00 0.70 O ATOM 0 H GLY A 4 -7.890 10.856 -6.311 1.00 1.14 H new ATOM 0 HA2 GLY A 4 -10.590 10.049 -6.254 1.00 0.89 H new ATOM 0 HA3 GLY A 4 -9.265 9.211 -5.471 1.00 0.89 H new ATOM 51 N SER A 5 -11.094 9.777 -3.556 1.00 0.44 N ATOM 52 CA SER A 5 -11.648 10.145 -2.220 1.00 0.30 C ATOM 53 C SER A 5 -10.652 9.738 -1.120 1.00 0.27 C ATOM 54 O SER A 5 -10.114 10.573 -0.420 1.00 0.30 O ATOM 55 CB SER A 5 -13.004 9.445 -2.020 1.00 0.49 C ATOM 56 OG SER A 5 -13.989 10.423 -1.713 1.00 1.52 O ATOM 0 H SER A 5 -11.380 8.864 -3.908 1.00 0.44 H new ATOM 0 HA SER A 5 -11.801 11.223 -2.164 1.00 0.30 H new ATOM 0 HB2 SER A 5 -13.283 8.900 -2.922 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.935 8.714 -1.214 1.00 0.49 H new ATOM 0 HG SER A 5 -14.856 9.985 -1.586 1.00 1.52 H new ATOM 62 N ASP A 6 -10.401 8.464 -0.965 1.00 0.24 N ATOM 63 CA ASP A 6 -9.438 8.013 0.086 1.00 0.23 C ATOM 64 C ASP A 6 -8.903 6.616 -0.269 1.00 0.21 C ATOM 65 O ASP A 6 -9.228 5.652 0.397 1.00 0.20 O ATOM 66 CB ASP A 6 -10.149 7.953 1.448 1.00 0.25 C ATOM 67 CG ASP A 6 -9.109 7.939 2.571 1.00 1.26 C ATOM 68 OD1 ASP A 6 -7.934 7.825 2.262 1.00 2.03 O ATOM 69 OD2 ASP A 6 -9.505 8.042 3.721 1.00 2.00 O ATOM 0 H ASP A 6 -10.820 7.717 -1.519 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.609 8.719 0.139 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.811 8.812 1.562 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -10.772 7.061 1.505 1.00 0.25 H new ATOM 74 N PRO A 7 -8.103 6.534 -1.311 1.00 0.22 N ATOM 75 CA PRO A 7 -7.539 5.242 -1.748 1.00 0.22 C ATOM 76 C PRO A 7 -6.597 4.680 -0.658 1.00 0.20 C ATOM 77 O PRO A 7 -6.240 5.389 0.262 1.00 0.20 O ATOM 78 CB PRO A 7 -6.768 5.567 -3.052 1.00 0.25 C ATOM 79 CG PRO A 7 -6.882 7.101 -3.295 1.00 0.27 C ATOM 80 CD PRO A 7 -7.706 7.699 -2.132 1.00 0.26 C ATOM 0 HA PRO A 7 -8.302 4.482 -1.916 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.723 5.270 -2.963 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.187 5.014 -3.893 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.893 7.556 -3.337 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.366 7.302 -4.250 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -7.115 8.408 -1.552 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.578 8.238 -2.502 1.00 0.26 H new ATOM 88 N PRO A 8 -6.214 3.424 -0.793 1.00 0.21 N ATOM 89 CA PRO A 8 -5.310 2.776 0.182 1.00 0.22 C ATOM 90 C PRO A 8 -3.945 3.485 0.187 1.00 0.22 C ATOM 91 O PRO A 8 -3.822 4.622 -0.222 1.00 0.22 O ATOM 92 CB PRO A 8 -5.181 1.313 -0.311 1.00 0.24 C ATOM 93 CG PRO A 8 -5.886 1.228 -1.696 1.00 0.26 C ATOM 94 CD PRO A 8 -6.645 2.554 -1.911 1.00 0.24 C ATOM 0 HA PRO A 8 -5.687 2.824 1.204 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.133 1.027 -0.395 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.643 0.626 0.398 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -5.155 1.071 -2.489 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.574 0.383 -1.725 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.399 2.998 -2.875 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.724 2.399 -1.898 1.00 0.24 H new ATOM 102 N THR A 9 -2.922 2.813 0.649 1.00 0.23 N ATOM 103 CA THR A 9 -1.567 3.438 0.682 1.00 0.24 C ATOM 104 C THR A 9 -0.498 2.346 0.694 1.00 0.24 C ATOM 105 O THR A 9 -0.507 1.459 1.523 1.00 0.25 O ATOM 106 CB THR A 9 -1.431 4.293 1.942 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.586 5.107 2.087 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.189 5.178 1.829 1.00 0.29 C ATOM 0 H THR A 9 -2.967 1.858 1.005 1.00 0.23 H new ATOM 0 HA THR A 9 -1.437 4.064 -0.201 1.00 0.24 H new ATOM 0 HB THR A 9 -1.333 3.645 2.813 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.947 5.323 1.202 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.093 5.787 2.728 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.696 4.551 1.720 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.283 5.828 0.959 1.00 0.29 H new ATOM 116 N ALA A 10 0.424 2.408 -0.224 1.00 0.23 N ATOM 117 CA ALA A 10 1.500 1.382 -0.278 1.00 0.23 C ATOM 118 C ALA A 10 2.430 1.546 0.925 1.00 0.22 C ATOM 119 O ALA A 10 3.484 2.143 0.826 1.00 0.27 O ATOM 120 CB ALA A 10 2.300 1.563 -1.566 1.00 0.23 C ATOM 0 H ALA A 10 0.479 3.129 -0.943 1.00 0.23 H new ATOM 0 HA ALA A 10 1.056 0.387 -0.256 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.090 0.814 -1.612 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.639 1.446 -2.425 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.743 2.559 -1.582 1.00 0.23 H new ATOM 126 N CYS A 11 2.050 1.012 2.059 1.00 0.25 N ATOM 127 CA CYS A 11 2.906 1.119 3.283 1.00 0.25 C ATOM 128 C CYS A 11 3.499 -0.257 3.591 1.00 0.25 C ATOM 129 O CYS A 11 2.837 -1.269 3.470 1.00 0.26 O ATOM 130 CB CYS A 11 2.048 1.582 4.463 1.00 0.25 C ATOM 131 SG CYS A 11 1.129 3.070 3.992 1.00 0.33 S ATOM 0 H CYS A 11 1.176 0.502 2.191 1.00 0.25 H new ATOM 0 HA CYS A 11 3.707 1.839 3.116 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.357 0.792 4.756 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.680 1.790 5.327 1.00 0.25 H new ATOM 136 N CYS A 12 4.743 -0.306 3.981 1.00 0.24 N ATOM 137 CA CYS A 12 5.373 -1.622 4.287 1.00 0.24 C ATOM 138 C CYS A 12 4.854 -2.141 5.628 1.00 0.24 C ATOM 139 O CYS A 12 4.595 -1.382 6.541 1.00 0.27 O ATOM 140 CB CYS A 12 6.892 -1.459 4.359 1.00 0.24 C ATOM 141 SG CYS A 12 7.531 -1.009 2.726 1.00 0.24 S ATOM 0 H CYS A 12 5.349 0.505 4.101 1.00 0.24 H new ATOM 0 HA CYS A 12 5.120 -2.333 3.500 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.152 -0.690 5.087 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.352 -2.387 4.698 1.00 0.24 H new ATOM 146 N PHE A 13 4.708 -3.437 5.753 1.00 0.25 N ATOM 147 CA PHE A 13 4.214 -4.031 7.033 1.00 0.27 C ATOM 148 C PHE A 13 5.400 -4.649 7.777 1.00 0.24 C ATOM 149 O PHE A 13 5.344 -4.901 8.964 1.00 0.26 O ATOM 150 CB PHE A 13 3.189 -5.122 6.722 1.00 0.30 C ATOM 151 CG PHE A 13 3.861 -6.230 5.948 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.128 -6.066 4.575 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.225 -7.424 6.599 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.758 -7.095 3.854 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.856 -8.454 5.878 1.00 0.37 C ATOM 156 CZ PHE A 13 5.123 -8.291 4.504 1.00 0.37 C ATOM 0 H PHE A 13 4.912 -4.114 5.017 1.00 0.25 H new ATOM 0 HA PHE A 13 3.748 -3.260 7.647 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.765 -5.514 7.647 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.363 -4.707 6.144 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.849 -5.150 4.076 1.00 0.31 H new ATOM 0 HD2 PHE A 13 4.020 -7.549 7.652 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.963 -6.969 2.801 1.00 0.34 H new ATOM 0 HE2 PHE A 13 5.136 -9.370 6.378 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.607 -9.082 3.950 1.00 0.37 H new ATOM 166 N SER A 14 6.474 -4.894 7.078 1.00 0.21 N ATOM 167 CA SER A 14 7.675 -5.493 7.722 1.00 0.20 C ATOM 168 C SER A 14 8.908 -5.150 6.887 1.00 0.18 C ATOM 169 O SER A 14 8.949 -4.138 6.216 1.00 0.17 O ATOM 170 CB SER A 14 7.513 -7.012 7.794 1.00 0.20 C ATOM 171 OG SER A 14 7.475 -7.543 6.476 1.00 0.25 O ATOM 0 H SER A 14 6.571 -4.703 6.081 1.00 0.21 H new ATOM 0 HA SER A 14 7.790 -5.096 8.731 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.340 -7.451 8.352 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.597 -7.267 8.328 1.00 0.20 H new ATOM 0 HG SER A 14 6.590 -7.385 6.085 1.00 0.25 H new ATOM 177 N TYR A 15 9.916 -5.979 6.919 1.00 0.19 N ATOM 178 CA TYR A 15 11.145 -5.690 6.120 1.00 0.20 C ATOM 179 C TYR A 15 11.869 -6.999 5.805 1.00 0.24 C ATOM 180 O TYR A 15 11.637 -8.015 6.430 1.00 0.29 O ATOM 181 CB TYR A 15 12.077 -4.772 6.923 1.00 0.22 C ATOM 182 CG TYR A 15 11.266 -3.719 7.638 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.985 -2.495 7.002 1.00 0.21 C ATOM 184 CD2 TYR A 15 10.792 -3.960 8.943 1.00 0.25 C ATOM 185 CE1 TYR A 15 10.230 -1.512 7.671 1.00 0.23 C ATOM 186 CE2 TYR A 15 10.036 -2.977 9.610 1.00 0.28 C ATOM 187 CZ TYR A 15 9.756 -1.753 8.974 1.00 0.27 C ATOM 188 OH TYR A 15 9.014 -0.790 9.628 1.00 0.32 O ATOM 0 H TYR A 15 9.943 -6.842 7.462 1.00 0.19 H new ATOM 0 HA TYR A 15 10.863 -5.197 5.190 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.646 -5.358 7.645 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.798 -4.298 6.257 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.348 -2.310 6.002 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.009 -4.899 9.432 1.00 0.25 H new ATOM 0 HE1 TYR A 15 10.015 -0.573 7.184 1.00 0.23 H new ATOM 0 HE2 TYR A 15 9.671 -3.162 10.609 1.00 0.28 H new ATOM 0 HH TYR A 15 8.765 -1.117 10.517 1.00 0.32 H new ATOM 198 N THR A 16 12.750 -6.979 4.843 1.00 0.22 N ATOM 199 CA THR A 16 13.492 -8.224 4.497 1.00 0.28 C ATOM 200 C THR A 16 14.245 -8.712 5.737 1.00 0.32 C ATOM 201 O THR A 16 14.009 -8.250 6.835 1.00 0.38 O ATOM 202 CB THR A 16 14.474 -7.936 3.352 1.00 0.28 C ATOM 203 OG1 THR A 16 15.393 -9.011 3.228 1.00 0.39 O ATOM 204 CG2 THR A 16 15.237 -6.640 3.629 1.00 0.27 C ATOM 0 H THR A 16 12.987 -6.159 4.284 1.00 0.22 H new ATOM 0 HA THR A 16 12.796 -8.997 4.171 1.00 0.28 H new ATOM 0 HB THR A 16 13.913 -7.828 2.423 1.00 0.28 H new ATOM 0 HG1 THR A 16 16.017 -8.825 2.496 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.931 -6.444 2.811 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.532 -5.813 3.712 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.793 -6.737 4.561 1.00 0.27 H new ATOM 212 N ALA A 17 15.145 -9.644 5.572 1.00 0.36 N ATOM 213 CA ALA A 17 15.919 -10.173 6.736 1.00 0.42 C ATOM 214 C ALA A 17 17.380 -10.319 6.322 1.00 0.45 C ATOM 215 O ALA A 17 18.183 -10.912 7.015 1.00 0.63 O ATOM 216 CB ALA A 17 15.362 -11.540 7.134 1.00 0.50 C ATOM 0 H ALA A 17 15.380 -10.066 4.674 1.00 0.36 H new ATOM 0 HA ALA A 17 15.838 -9.491 7.583 1.00 0.42 H new ATOM 0 HB1 ALA A 17 15.924 -11.929 7.983 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.312 -11.439 7.410 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.452 -12.228 6.293 1.00 0.50 H new ATOM 222 N ARG A 18 17.727 -9.771 5.188 1.00 0.47 N ATOM 223 CA ARG A 18 19.131 -9.856 4.695 1.00 0.48 C ATOM 224 C ARG A 18 19.499 -8.529 4.028 1.00 0.41 C ATOM 225 O ARG A 18 18.796 -8.043 3.165 1.00 0.37 O ATOM 226 CB ARG A 18 19.240 -10.993 3.674 1.00 0.53 C ATOM 227 CG ARG A 18 19.344 -12.335 4.406 1.00 0.70 C ATOM 228 CD ARG A 18 19.037 -13.473 3.434 1.00 1.15 C ATOM 229 NE ARG A 18 19.478 -14.767 4.025 1.00 1.96 N ATOM 230 CZ ARG A 18 19.043 -15.892 3.527 1.00 2.64 C ATOM 231 NH1 ARG A 18 18.218 -15.882 2.516 1.00 2.84 N ATOM 232 NH2 ARG A 18 19.433 -17.028 4.038 1.00 3.63 N ATOM 0 H ARG A 18 17.089 -9.262 4.576 1.00 0.47 H new ATOM 0 HA ARG A 18 19.809 -10.052 5.525 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.369 -10.991 3.019 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.115 -10.844 3.041 1.00 0.53 H new ATOM 0 HG2 ARG A 18 20.344 -12.458 4.821 1.00 0.70 H new ATOM 0 HG3 ARG A 18 18.646 -12.360 5.243 1.00 0.70 H new ATOM 0 HD2 ARG A 18 17.969 -13.504 3.221 1.00 1.15 H new ATOM 0 HD3 ARG A 18 19.546 -13.302 2.486 1.00 1.15 H new ATOM 0 HE ARG A 18 20.119 -14.774 4.818 1.00 1.96 H new ATOM 0 HH11 ARG A 18 17.913 -14.995 2.115 1.00 2.84 H new ATOM 0 HH12 ARG A 18 17.878 -16.761 2.127 1.00 2.84 H new ATOM 0 HH21 ARG A 18 20.079 -17.037 4.828 1.00 3.63 H new ATOM 0 HH22 ARG A 18 19.092 -17.907 3.648 1.00 3.63 H new ATOM 246 N LYS A 19 20.592 -7.938 4.420 1.00 0.40 N ATOM 247 CA LYS A 19 20.994 -6.644 3.805 1.00 0.35 C ATOM 248 C LYS A 19 21.268 -6.867 2.314 1.00 0.31 C ATOM 249 O LYS A 19 22.000 -7.757 1.930 1.00 0.33 O ATOM 250 CB LYS A 19 22.252 -6.119 4.514 1.00 0.38 C ATOM 251 CG LYS A 19 22.925 -5.021 3.668 1.00 0.40 C ATOM 252 CD LYS A 19 23.819 -4.118 4.547 1.00 0.62 C ATOM 253 CE LYS A 19 25.237 -4.701 4.662 1.00 0.97 C ATOM 254 NZ LYS A 19 25.187 -6.187 4.593 1.00 1.79 N ATOM 0 H LYS A 19 21.223 -8.294 5.138 1.00 0.40 H new ATOM 0 HA LYS A 19 20.198 -5.907 3.913 1.00 0.35 H new ATOM 0 HB2 LYS A 19 21.986 -5.721 5.493 1.00 0.38 H new ATOM 0 HB3 LYS A 19 22.951 -6.938 4.682 1.00 0.38 H new ATOM 0 HG2 LYS A 19 23.525 -5.479 2.882 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.163 -4.417 3.176 1.00 0.40 H new ATOM 0 HD2 LYS A 19 23.866 -3.117 4.118 1.00 0.62 H new ATOM 0 HD3 LYS A 19 23.380 -4.019 5.540 1.00 0.62 H new ATOM 0 HE2 LYS A 19 25.864 -4.313 3.859 1.00 0.97 H new ATOM 0 HE3 LYS A 19 25.692 -4.388 5.602 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 26.150 -6.571 4.672 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 24.604 -6.551 5.374 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 24.771 -6.479 3.685 1.00 1.79 H new ATOM 268 N LEU A 20 20.669 -6.069 1.472 1.00 0.27 N ATOM 269 CA LEU A 20 20.874 -6.237 0.007 1.00 0.27 C ATOM 270 C LEU A 20 22.283 -5.737 -0.393 1.00 0.27 C ATOM 271 O LEU A 20 22.561 -4.567 -0.225 1.00 0.27 O ATOM 272 CB LEU A 20 19.840 -5.391 -0.740 1.00 0.24 C ATOM 273 CG LEU A 20 18.449 -5.598 -0.138 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.411 -4.944 -1.049 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.142 -7.096 -0.016 1.00 0.27 C ATOM 0 H LEU A 20 20.045 -5.307 1.737 1.00 0.27 H new ATOM 0 HA LEU A 20 20.770 -7.292 -0.247 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.114 -4.337 -0.685 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.831 -5.664 -1.795 1.00 0.24 H new ATOM 0 HG LEU A 20 18.416 -5.148 0.854 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.416 -5.087 -0.628 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.620 -3.878 -1.132 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.455 -5.401 -2.038 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.149 -7.230 0.414 1.00 0.27 H new ATOM 0 HD22 LEU A 20 18.175 -7.556 -1.004 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.883 -7.568 0.629 1.00 0.27 H new ATOM 287 N PRO A 21 23.140 -6.596 -0.929 1.00 0.31 N ATOM 288 CA PRO A 21 24.482 -6.149 -1.346 1.00 0.34 C ATOM 289 C PRO A 21 24.349 -4.995 -2.343 1.00 0.30 C ATOM 290 O PRO A 21 23.420 -4.947 -3.123 1.00 0.29 O ATOM 291 CB PRO A 21 25.127 -7.384 -2.017 1.00 0.39 C ATOM 292 CG PRO A 21 24.186 -8.593 -1.755 1.00 0.42 C ATOM 293 CD PRO A 21 22.875 -8.037 -1.159 1.00 0.35 C ATOM 0 HA PRO A 21 25.084 -5.788 -0.512 1.00 0.34 H new ATOM 0 HB2 PRO A 21 25.252 -7.219 -3.087 1.00 0.39 H new ATOM 0 HB3 PRO A 21 26.119 -7.572 -1.605 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.988 -9.133 -2.681 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.651 -9.299 -1.067 1.00 0.42 H new ATOM 0 HD2 PRO A 21 22.038 -8.180 -1.843 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.617 -8.544 -0.229 1.00 0.35 H new ATOM 301 N ARG A 22 25.275 -4.078 -2.340 1.00 0.31 N ATOM 302 CA ARG A 22 25.198 -2.953 -3.311 1.00 0.30 C ATOM 303 C ARG A 22 24.984 -3.539 -4.713 1.00 0.31 C ATOM 304 O ARG A 22 24.311 -2.969 -5.548 1.00 0.31 O ATOM 305 CB ARG A 22 26.510 -2.149 -3.258 1.00 0.33 C ATOM 306 CG ARG A 22 26.260 -0.686 -3.654 1.00 0.69 C ATOM 307 CD ARG A 22 25.719 -0.607 -5.090 1.00 1.24 C ATOM 308 NE ARG A 22 26.096 0.706 -5.684 1.00 1.34 N ATOM 309 CZ ARG A 22 26.012 0.887 -6.974 1.00 2.07 C ATOM 310 NH1 ARG A 22 25.594 -0.081 -7.743 1.00 2.89 N ATOM 311 NH2 ARG A 22 26.346 2.036 -7.495 1.00 2.44 N ATOM 0 H ARG A 22 26.078 -4.059 -1.711 1.00 0.31 H new ATOM 0 HA ARG A 22 24.371 -2.287 -3.066 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.930 -2.193 -2.253 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.244 -2.594 -3.930 1.00 0.33 H new ATOM 0 HG2 ARG A 22 25.548 -0.232 -2.965 1.00 0.69 H new ATOM 0 HG3 ARG A 22 27.187 -0.117 -3.575 1.00 0.69 H new ATOM 0 HD2 ARG A 22 26.126 -1.421 -5.690 1.00 1.24 H new ATOM 0 HD3 ARG A 22 24.635 -0.722 -5.090 1.00 1.24 H new ATOM 0 HE ARG A 22 26.420 1.464 -5.083 1.00 1.34 H new ATOM 0 HH11 ARG A 22 25.333 -0.979 -7.336 1.00 2.89 H new ATOM 0 HH12 ARG A 22 25.528 0.061 -8.751 1.00 2.89 H new ATOM 0 HH21 ARG A 22 26.673 2.793 -6.894 1.00 2.44 H new ATOM 0 HH22 ARG A 22 26.280 2.177 -8.503 1.00 2.44 H new ATOM 325 N ASN A 23 25.554 -4.689 -4.965 1.00 0.34 N ATOM 326 CA ASN A 23 25.392 -5.335 -6.299 1.00 0.37 C ATOM 327 C ASN A 23 23.969 -5.884 -6.440 1.00 0.37 C ATOM 328 O ASN A 23 23.690 -6.686 -7.309 1.00 0.40 O ATOM 329 CB ASN A 23 26.395 -6.483 -6.432 1.00 0.42 C ATOM 330 CG ASN A 23 27.807 -5.964 -6.156 1.00 1.47 C ATOM 331 OD1 ASN A 23 28.335 -5.171 -6.911 1.00 2.16 O ATOM 332 ND2 ASN A 23 28.447 -6.381 -5.097 1.00 2.38 N ATOM 0 H ASN A 23 26.127 -5.209 -4.301 1.00 0.34 H new ATOM 0 HA ASN A 23 25.572 -4.597 -7.081 1.00 0.37 H new ATOM 0 HB2 ASN A 23 26.146 -7.280 -5.731 1.00 0.42 H new ATOM 0 HB3 ASN A 23 26.343 -6.911 -7.433 1.00 0.42 H new ATOM 0 HD21 ASN A 23 29.389 -6.041 -4.904 1.00 2.38 H new ATOM 0 HD22 ASN A 23 28.005 -7.046 -4.463 1.00 2.38 H new ATOM 339 N PHE A 24 23.070 -5.466 -5.587 1.00 0.33 N ATOM 340 CA PHE A 24 21.661 -5.968 -5.659 1.00 0.33 C ATOM 341 C PHE A 24 20.704 -4.801 -5.396 1.00 0.30 C ATOM 342 O PHE A 24 19.605 -4.982 -4.912 1.00 0.28 O ATOM 343 CB PHE A 24 21.464 -7.055 -4.586 1.00 0.33 C ATOM 344 CG PHE A 24 20.284 -7.942 -4.930 1.00 0.35 C ATOM 345 CD1 PHE A 24 20.293 -8.700 -6.119 1.00 0.39 C ATOM 346 CD2 PHE A 24 19.181 -8.025 -4.054 1.00 0.35 C ATOM 347 CE1 PHE A 24 19.204 -9.534 -6.429 1.00 0.41 C ATOM 348 CE2 PHE A 24 18.092 -8.859 -4.368 1.00 0.37 C ATOM 349 CZ PHE A 24 18.104 -9.614 -5.555 1.00 0.41 C ATOM 0 H PHE A 24 23.250 -4.796 -4.840 1.00 0.33 H new ATOM 0 HA PHE A 24 21.459 -6.388 -6.644 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.367 -7.659 -4.504 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.303 -6.588 -3.614 1.00 0.33 H new ATOM 0 HD1 PHE A 24 21.136 -8.640 -6.791 1.00 0.39 H new ATOM 0 HD2 PHE A 24 19.173 -7.448 -3.141 1.00 0.35 H new ATOM 0 HE1 PHE A 24 19.212 -10.114 -7.340 1.00 0.41 H new ATOM 0 HE2 PHE A 24 17.247 -8.919 -3.698 1.00 0.37 H new ATOM 0 HZ PHE A 24 17.269 -10.255 -5.796 1.00 0.41 H new ATOM 359 N VAL A 25 21.122 -3.604 -5.712 1.00 0.30 N ATOM 360 CA VAL A 25 20.252 -2.412 -5.484 1.00 0.28 C ATOM 361 C VAL A 25 20.569 -1.352 -6.541 1.00 0.30 C ATOM 362 O VAL A 25 21.423 -0.508 -6.351 1.00 0.31 O ATOM 363 CB VAL A 25 20.533 -1.837 -4.092 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.589 -0.666 -3.817 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.310 -2.919 -3.032 1.00 0.23 C ATOM 0 H VAL A 25 22.034 -3.399 -6.121 1.00 0.30 H new ATOM 0 HA VAL A 25 19.204 -2.703 -5.554 1.00 0.28 H new ATOM 0 HB VAL A 25 21.566 -1.492 -4.052 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.792 -0.260 -2.826 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.744 0.110 -4.566 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.557 -1.013 -3.862 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.511 -2.507 -2.043 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.278 -3.266 -3.078 1.00 0.23 H new ATOM 0 HG23 VAL A 25 20.983 -3.756 -3.219 1.00 0.23 H new ATOM 375 N VAL A 26 19.891 -1.390 -7.656 1.00 0.33 N ATOM 376 CA VAL A 26 20.154 -0.390 -8.729 1.00 0.36 C ATOM 377 C VAL A 26 19.363 0.886 -8.452 1.00 0.35 C ATOM 378 O VAL A 26 19.587 1.911 -9.067 1.00 0.37 O ATOM 379 CB VAL A 26 19.726 -0.974 -10.075 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.619 -2.165 -10.421 1.00 0.78 C ATOM 381 CG2 VAL A 26 18.269 -1.440 -9.995 1.00 0.61 C ATOM 0 H VAL A 26 19.164 -2.073 -7.870 1.00 0.33 H new ATOM 0 HA VAL A 26 21.218 -0.153 -8.752 1.00 0.36 H new ATOM 0 HB VAL A 26 19.821 -0.209 -10.846 1.00 0.41 H new ATOM 0 HG11 VAL A 26 20.314 -2.582 -11.381 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.657 -1.836 -10.481 1.00 0.78 H new ATOM 0 HG13 VAL A 26 20.524 -2.928 -9.648 1.00 0.78 H new ATOM 0 HG21 VAL A 26 17.967 -1.856 -10.956 1.00 0.61 H new ATOM 0 HG22 VAL A 26 18.173 -2.203 -9.223 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.629 -0.593 -9.749 1.00 0.61 H new ATOM 391 N ASP A 27 18.440 0.840 -7.534 1.00 0.32 N ATOM 392 CA ASP A 27 17.642 2.060 -7.232 1.00 0.31 C ATOM 393 C ASP A 27 16.813 1.822 -5.974 1.00 0.27 C ATOM 394 O ASP A 27 16.964 0.822 -5.301 1.00 0.25 O ATOM 395 CB ASP A 27 16.710 2.364 -8.407 1.00 0.34 C ATOM 396 CG ASP A 27 16.143 3.777 -8.257 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.853 4.716 -8.578 1.00 1.09 O ATOM 398 OD2 ASP A 27 15.009 3.896 -7.823 1.00 1.13 O ATOM 0 H ASP A 27 18.204 0.015 -6.982 1.00 0.32 H new ATOM 0 HA ASP A 27 18.312 2.905 -7.073 1.00 0.31 H new ATOM 0 HB2 ASP A 27 17.253 2.277 -9.348 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.899 1.637 -8.439 1.00 0.34 H new ATOM 403 N TYR A 28 15.935 2.730 -5.650 1.00 0.26 N ATOM 404 CA TYR A 28 15.099 2.545 -4.433 1.00 0.23 C ATOM 405 C TYR A 28 13.812 3.355 -4.553 1.00 0.25 C ATOM 406 O TYR A 28 13.534 3.971 -5.562 1.00 0.29 O ATOM 407 CB TYR A 28 15.879 2.979 -3.187 1.00 0.19 C ATOM 408 CG TYR A 28 15.988 4.490 -3.116 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.685 5.197 -4.117 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.405 5.189 -2.040 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.796 6.597 -4.041 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.517 6.588 -1.962 1.00 0.22 C ATOM 413 CZ TYR A 28 16.213 7.294 -2.963 1.00 0.25 C ATOM 414 OH TYR A 28 16.324 8.668 -2.888 1.00 0.28 O ATOM 0 H TYR A 28 15.761 3.588 -6.173 1.00 0.26 H new ATOM 0 HA TYR A 28 14.844 1.490 -4.339 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.382 2.604 -2.293 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.876 2.539 -3.206 1.00 0.19 H new ATOM 0 HD1 TYR A 28 17.134 4.664 -4.942 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.871 4.648 -1.273 1.00 0.19 H new ATOM 0 HE1 TYR A 28 17.328 7.139 -4.809 1.00 0.26 H new ATOM 0 HE2 TYR A 28 15.070 7.121 -1.136 1.00 0.22 H new ATOM 0 HH TYR A 28 15.865 8.990 -2.084 1.00 0.28 H new ATOM 424 N TYR A 29 13.020 3.334 -3.525 1.00 0.23 N ATOM 425 CA TYR A 29 11.733 4.072 -3.547 1.00 0.25 C ATOM 426 C TYR A 29 11.253 4.255 -2.101 1.00 0.22 C ATOM 427 O TYR A 29 11.335 3.350 -1.299 1.00 0.23 O ATOM 428 CB TYR A 29 10.729 3.246 -4.371 1.00 0.29 C ATOM 429 CG TYR A 29 9.312 3.666 -4.069 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.840 4.910 -4.520 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.465 2.810 -3.339 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.517 5.305 -4.239 1.00 0.39 C ATOM 433 CE2 TYR A 29 7.142 3.203 -3.059 1.00 0.38 C ATOM 434 CZ TYR A 29 6.669 4.451 -3.508 1.00 0.36 C ATOM 435 OH TYR A 29 5.372 4.836 -3.234 1.00 0.39 O ATOM 0 H TYR A 29 13.212 2.831 -2.659 1.00 0.23 H new ATOM 0 HA TYR A 29 11.838 5.057 -4.001 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.932 3.374 -5.434 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.854 2.186 -4.148 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.491 5.563 -5.082 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.829 1.854 -2.994 1.00 0.35 H new ATOM 0 HE1 TYR A 29 7.154 6.262 -4.584 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.490 2.548 -2.500 1.00 0.38 H new ATOM 0 HH TYR A 29 4.923 4.131 -2.722 1.00 0.39 H new ATOM 445 N GLU A 30 10.759 5.414 -1.750 1.00 0.22 N ATOM 446 CA GLU A 30 10.284 5.631 -0.345 1.00 0.20 C ATOM 447 C GLU A 30 8.777 5.368 -0.268 1.00 0.21 C ATOM 448 O GLU A 30 8.067 5.463 -1.249 1.00 0.24 O ATOM 449 CB GLU A 30 10.578 7.074 0.075 1.00 0.22 C ATOM 450 CG GLU A 30 12.059 7.217 0.436 1.00 0.25 C ATOM 451 CD GLU A 30 12.340 8.654 0.881 1.00 0.69 C ATOM 452 OE1 GLU A 30 11.876 9.025 1.947 1.00 1.35 O ATOM 453 OE2 GLU A 30 13.015 9.360 0.150 1.00 1.43 O ATOM 0 H GLU A 30 10.663 6.218 -2.370 1.00 0.22 H new ATOM 0 HA GLU A 30 10.804 4.946 0.325 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.324 7.757 -0.735 1.00 0.22 H new ATOM 0 HB3 GLU A 30 9.958 7.348 0.929 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.319 6.521 1.234 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.680 6.963 -0.423 1.00 0.25 H new ATOM 460 N THR A 31 8.288 5.026 0.894 1.00 0.19 N ATOM 461 CA THR A 31 6.829 4.741 1.048 1.00 0.21 C ATOM 462 C THR A 31 6.025 6.041 1.015 1.00 0.25 C ATOM 463 O THR A 31 6.515 7.086 0.636 1.00 0.27 O ATOM 464 CB THR A 31 6.594 4.046 2.389 1.00 0.20 C ATOM 465 OG1 THR A 31 7.282 4.760 3.400 1.00 0.21 O ATOM 466 CG2 THR A 31 7.114 2.610 2.313 1.00 0.20 C ATOM 0 H THR A 31 8.838 4.931 1.748 1.00 0.19 H new ATOM 0 HA THR A 31 6.505 4.101 0.227 1.00 0.21 H new ATOM 0 HB THR A 31 5.529 4.024 2.621 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.153 5.722 3.266 1.00 0.21 H new ATOM 0 HG21 THR A 31 6.948 2.112 3.268 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.585 2.072 1.526 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.181 2.621 2.090 1.00 0.20 H new ATOM 474 N SER A 32 4.785 5.971 1.419 1.00 0.27 N ATOM 475 CA SER A 32 3.917 7.181 1.427 1.00 0.31 C ATOM 476 C SER A 32 4.136 7.965 2.719 1.00 0.33 C ATOM 477 O SER A 32 5.239 8.085 3.212 1.00 0.33 O ATOM 478 CB SER A 32 2.457 6.744 1.347 1.00 0.33 C ATOM 479 OG SER A 32 2.285 5.881 0.230 1.00 1.27 O ATOM 0 H SER A 32 4.333 5.117 1.747 1.00 0.27 H new ATOM 0 HA SER A 32 4.166 7.814 0.575 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.168 6.232 2.265 1.00 0.33 H new ATOM 0 HB3 SER A 32 1.809 7.615 1.251 1.00 0.33 H new ATOM 0 HG SER A 32 1.523 6.186 -0.305 1.00 1.27 H new ATOM 485 N SER A 33 3.080 8.501 3.265 1.00 0.36 N ATOM 486 CA SER A 33 3.192 9.289 4.530 1.00 0.40 C ATOM 487 C SER A 33 1.924 9.087 5.352 1.00 0.40 C ATOM 488 O SER A 33 1.957 9.022 6.565 1.00 0.42 O ATOM 489 CB SER A 33 3.327 10.768 4.184 1.00 0.46 C ATOM 490 OG SER A 33 2.038 11.304 3.912 1.00 0.48 O ATOM 0 H SER A 33 2.135 8.428 2.888 1.00 0.36 H new ATOM 0 HA SER A 33 4.062 8.959 5.098 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.791 11.306 5.011 1.00 0.46 H new ATOM 0 HB3 SER A 33 3.976 10.893 3.318 1.00 0.46 H new ATOM 0 HG SER A 33 2.119 12.255 3.691 1.00 0.48 H new ATOM 496 N LEU A 34 0.805 8.998 4.685 1.00 0.39 N ATOM 497 CA LEU A 34 -0.500 8.806 5.388 1.00 0.39 C ATOM 498 C LEU A 34 -0.338 7.821 6.547 1.00 0.37 C ATOM 499 O LEU A 34 -0.638 8.126 7.684 1.00 0.40 O ATOM 500 CB LEU A 34 -1.531 8.245 4.405 1.00 0.36 C ATOM 501 CG LEU A 34 -1.438 8.977 3.067 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.590 8.528 2.166 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.526 10.489 3.302 1.00 0.45 C ATOM 0 H LEU A 34 0.737 9.051 3.669 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.834 9.769 5.775 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.360 7.179 4.257 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.534 8.353 4.818 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.488 8.744 2.587 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.528 9.048 1.210 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.524 7.453 2.000 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.540 8.763 2.646 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.460 11.010 2.347 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.476 10.728 3.781 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.705 10.806 3.946 1.00 0.45 H new ATOM 515 N CYS A 35 0.130 6.642 6.262 1.00 0.33 N ATOM 516 CA CYS A 35 0.308 5.635 7.343 1.00 0.34 C ATOM 517 C CYS A 35 1.452 6.078 8.258 1.00 0.39 C ATOM 518 O CYS A 35 2.521 6.431 7.810 1.00 0.38 O ATOM 519 CB CYS A 35 0.621 4.268 6.723 1.00 0.32 C ATOM 520 SG CYS A 35 1.736 4.474 5.313 1.00 0.39 S ATOM 0 H CYS A 35 0.397 6.331 5.328 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.607 5.553 7.929 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.079 3.617 7.468 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.302 3.785 6.401 1.00 0.32 H new ATOM 525 N SER A 36 1.219 6.087 9.541 1.00 0.44 N ATOM 526 CA SER A 36 2.275 6.522 10.501 1.00 0.51 C ATOM 527 C SER A 36 3.460 5.542 10.511 1.00 0.51 C ATOM 528 O SER A 36 4.091 5.354 11.532 1.00 0.58 O ATOM 529 CB SER A 36 1.673 6.594 11.905 1.00 0.59 C ATOM 530 OG SER A 36 1.403 5.278 12.368 1.00 1.41 O ATOM 0 H SER A 36 0.336 5.810 9.970 1.00 0.44 H new ATOM 0 HA SER A 36 2.642 7.500 10.189 1.00 0.51 H new ATOM 0 HB2 SER A 36 2.363 7.096 12.584 1.00 0.59 H new ATOM 0 HB3 SER A 36 0.755 7.182 11.890 1.00 0.59 H new ATOM 0 HG SER A 36 1.019 5.320 13.268 1.00 1.41 H new ATOM 536 N GLN A 37 3.779 4.909 9.409 1.00 0.45 N ATOM 537 CA GLN A 37 4.932 3.953 9.426 1.00 0.47 C ATOM 538 C GLN A 37 5.564 3.816 8.031 1.00 0.36 C ATOM 539 O GLN A 37 5.534 2.748 7.457 1.00 0.35 O ATOM 540 CB GLN A 37 4.435 2.580 9.890 1.00 0.55 C ATOM 541 CG GLN A 37 3.149 2.219 9.144 1.00 0.78 C ATOM 542 CD GLN A 37 2.706 0.809 9.541 1.00 0.79 C ATOM 543 OE1 GLN A 37 3.086 0.310 10.582 1.00 1.24 O ATOM 544 NE2 GLN A 37 1.912 0.142 8.750 1.00 1.47 N ATOM 0 H GLN A 37 3.302 5.009 8.513 1.00 0.45 H new ATOM 0 HA GLN A 37 5.689 4.338 10.109 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.199 1.824 9.705 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.252 2.592 10.965 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.365 2.938 9.381 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.314 2.270 8.068 1.00 0.78 H new ATOM 0 HE21 GLN A 37 1.593 0.561 7.876 1.00 1.47 H new ATOM 0 HE22 GLN A 37 1.610 -0.798 9.005 1.00 1.47 H new ATOM 553 N PRO A 38 6.144 4.887 7.531 1.00 0.34 N ATOM 554 CA PRO A 38 6.809 4.858 6.213 1.00 0.26 C ATOM 555 C PRO A 38 8.066 3.978 6.309 1.00 0.25 C ATOM 556 O PRO A 38 8.412 3.481 7.361 1.00 0.27 O ATOM 557 CB PRO A 38 7.181 6.333 5.927 1.00 0.33 C ATOM 558 CG PRO A 38 6.884 7.146 7.222 1.00 0.43 C ATOM 559 CD PRO A 38 6.181 6.196 8.218 1.00 0.43 C ATOM 0 HA PRO A 38 6.184 4.446 5.421 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.233 6.418 5.653 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.601 6.720 5.089 1.00 0.33 H new ATOM 0 HG2 PRO A 38 7.808 7.535 7.650 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.250 8.004 6.999 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.728 6.134 9.158 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.177 6.546 8.456 1.00 0.43 H new ATOM 567 N ALA A 39 8.748 3.797 5.218 1.00 0.23 N ATOM 568 CA ALA A 39 9.980 2.970 5.219 1.00 0.22 C ATOM 569 C ALA A 39 10.682 3.168 3.880 1.00 0.19 C ATOM 570 O ALA A 39 10.116 3.726 2.959 1.00 0.22 O ATOM 571 CB ALA A 39 9.611 1.494 5.391 1.00 0.23 C ATOM 0 H ALA A 39 8.500 4.193 4.312 1.00 0.23 H new ATOM 0 HA ALA A 39 10.634 3.266 6.039 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.518 0.890 5.391 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.084 1.358 6.336 1.00 0.23 H new ATOM 0 HB3 ALA A 39 8.967 1.182 4.569 1.00 0.23 H new ATOM 577 N VAL A 40 11.894 2.703 3.743 1.00 0.15 N ATOM 578 CA VAL A 40 12.604 2.854 2.437 1.00 0.13 C ATOM 579 C VAL A 40 12.437 1.545 1.670 1.00 0.13 C ATOM 580 O VAL A 40 12.414 0.476 2.247 1.00 0.18 O ATOM 581 CB VAL A 40 14.094 3.144 2.678 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.891 2.892 1.393 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.256 4.608 3.087 1.00 0.16 C ATOM 0 H VAL A 40 12.423 2.227 4.474 1.00 0.15 H new ATOM 0 HA VAL A 40 12.189 3.685 1.867 1.00 0.13 H new ATOM 0 HB VAL A 40 14.466 2.489 3.466 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.946 3.100 1.572 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.773 1.852 1.090 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.522 3.545 0.602 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.310 4.823 3.260 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.880 5.252 2.292 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.693 4.795 4.001 1.00 0.16 H new ATOM 593 N VAL A 41 12.298 1.630 0.377 1.00 0.15 N ATOM 594 CA VAL A 41 12.103 0.405 -0.459 1.00 0.16 C ATOM 595 C VAL A 41 13.246 0.295 -1.469 1.00 0.16 C ATOM 596 O VAL A 41 13.394 1.120 -2.344 1.00 0.18 O ATOM 597 CB VAL A 41 10.762 0.523 -1.189 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.321 -0.839 -1.717 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.704 1.046 -0.210 1.00 0.23 C ATOM 0 H VAL A 41 12.311 2.506 -0.146 1.00 0.15 H new ATOM 0 HA VAL A 41 12.101 -0.487 0.167 1.00 0.16 H new ATOM 0 HB VAL A 41 10.875 1.209 -2.028 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.366 -0.737 -2.233 1.00 0.25 H new ATOM 0 HG12 VAL A 41 11.070 -1.220 -2.411 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.211 -1.534 -0.884 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.746 1.133 -0.722 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.607 0.353 0.626 1.00 0.23 H new ATOM 0 HG23 VAL A 41 10.006 2.025 0.163 1.00 0.23 H new ATOM 609 N PHE A 42 14.065 -0.716 -1.350 1.00 0.15 N ATOM 610 CA PHE A 42 15.207 -0.864 -2.298 1.00 0.17 C ATOM 611 C PHE A 42 14.767 -1.651 -3.531 1.00 0.21 C ATOM 612 O PHE A 42 14.142 -2.688 -3.434 1.00 0.23 O ATOM 613 CB PHE A 42 16.353 -1.621 -1.614 1.00 0.16 C ATOM 614 CG PHE A 42 17.084 -0.705 -0.655 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.763 0.431 -1.141 1.00 0.14 C ATOM 616 CD2 PHE A 42 17.097 -0.994 0.723 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.451 1.276 -0.249 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.787 -0.151 1.612 1.00 0.14 C ATOM 619 CZ PHE A 42 18.463 0.985 1.127 1.00 0.14 C ATOM 0 H PHE A 42 13.993 -1.444 -0.639 1.00 0.15 H new ATOM 0 HA PHE A 42 15.542 0.129 -2.597 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.959 -2.483 -1.076 1.00 0.16 H new ATOM 0 HB3 PHE A 42 17.046 -2.002 -2.364 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.755 0.653 -2.198 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.577 -1.863 1.097 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.969 2.147 -0.621 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.799 -0.375 2.668 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.991 1.633 1.811 1.00 0.14 H new ATOM 629 N GLN A 43 15.122 -1.174 -4.693 1.00 0.24 N ATOM 630 CA GLN A 43 14.769 -1.890 -5.951 1.00 0.28 C ATOM 631 C GLN A 43 15.981 -2.743 -6.339 1.00 0.30 C ATOM 632 O GLN A 43 17.077 -2.231 -6.477 1.00 0.30 O ATOM 633 CB GLN A 43 14.461 -0.858 -7.038 1.00 0.32 C ATOM 634 CG GLN A 43 13.191 -0.090 -6.666 1.00 0.32 C ATOM 635 CD GLN A 43 12.932 1.002 -7.706 1.00 0.58 C ATOM 636 OE1 GLN A 43 13.489 2.078 -7.626 1.00 1.29 O ATOM 637 NE2 GLN A 43 12.103 0.767 -8.687 1.00 1.31 N ATOM 0 H GLN A 43 15.647 -0.310 -4.825 1.00 0.24 H new ATOM 0 HA GLN A 43 13.892 -2.525 -5.824 1.00 0.28 H new ATOM 0 HB2 GLN A 43 15.298 -0.168 -7.147 1.00 0.32 H new ATOM 0 HB3 GLN A 43 14.330 -1.355 -7.999 1.00 0.32 H new ATOM 0 HG2 GLN A 43 12.342 -0.772 -6.619 1.00 0.32 H new ATOM 0 HG3 GLN A 43 13.298 0.354 -5.676 1.00 0.32 H new ATOM 0 HE21 GLN A 43 11.635 -0.137 -8.754 1.00 1.31 H new ATOM 0 HE22 GLN A 43 11.923 1.487 -9.386 1.00 1.31 H new ATOM 646 N THR A 44 15.818 -4.049 -6.463 1.00 0.32 N ATOM 647 CA THR A 44 17.010 -4.918 -6.775 1.00 0.34 C ATOM 648 C THR A 44 17.085 -5.280 -8.257 1.00 0.39 C ATOM 649 O THR A 44 16.547 -4.607 -9.112 1.00 0.41 O ATOM 650 CB THR A 44 16.917 -6.207 -5.961 1.00 0.34 C ATOM 651 OG1 THR A 44 16.050 -7.114 -6.621 1.00 0.38 O ATOM 652 CG2 THR A 44 16.363 -5.883 -4.574 1.00 0.29 C ATOM 0 H THR A 44 14.930 -4.541 -6.364 1.00 0.32 H new ATOM 0 HA THR A 44 17.907 -4.354 -6.518 1.00 0.34 H new ATOM 0 HB THR A 44 17.905 -6.657 -5.863 1.00 0.34 H new ATOM 0 HG1 THR A 44 16.391 -8.027 -6.518 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.294 -6.799 -3.987 1.00 0.29 H new ATOM 0 HG22 THR A 44 17.027 -5.180 -4.072 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.372 -5.439 -4.672 1.00 0.29 H new ATOM 660 N LYS A 45 17.785 -6.353 -8.553 1.00 0.43 N ATOM 661 CA LYS A 45 17.958 -6.807 -9.966 1.00 0.48 C ATOM 662 C LYS A 45 17.227 -8.137 -10.187 1.00 0.51 C ATOM 663 O LYS A 45 16.857 -8.466 -11.296 1.00 0.56 O ATOM 664 CB LYS A 45 19.454 -7.019 -10.243 1.00 0.50 C ATOM 665 CG LYS A 45 20.267 -5.853 -9.674 1.00 0.46 C ATOM 666 CD LYS A 45 21.754 -6.096 -9.956 1.00 0.49 C ATOM 667 CE LYS A 45 22.558 -4.834 -9.632 1.00 0.54 C ATOM 668 NZ LYS A 45 23.999 -5.186 -9.496 1.00 1.55 N ATOM 0 H LYS A 45 18.250 -6.940 -7.860 1.00 0.43 H new ATOM 0 HA LYS A 45 17.547 -6.051 -10.635 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.785 -7.956 -9.795 1.00 0.50 H new ATOM 0 HB3 LYS A 45 19.625 -7.101 -11.316 1.00 0.50 H new ATOM 0 HG2 LYS A 45 19.947 -4.915 -10.127 1.00 0.46 H new ATOM 0 HG3 LYS A 45 20.097 -5.764 -8.601 1.00 0.46 H new ATOM 0 HD2 LYS A 45 22.115 -6.932 -9.357 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.895 -6.369 -11.002 1.00 0.49 H new ATOM 0 HE2 LYS A 45 22.426 -4.093 -10.421 1.00 0.54 H new ATOM 0 HE3 LYS A 45 22.193 -4.385 -8.708 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 24.505 -4.404 -9.034 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 24.093 -6.047 -8.920 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 24.406 -5.353 -10.438 1.00 1.55 H new ATOM 682 N ARG A 46 17.029 -8.913 -9.141 1.00 0.50 N ATOM 683 CA ARG A 46 16.335 -10.237 -9.289 1.00 0.54 C ATOM 684 C ARG A 46 15.095 -10.244 -8.392 1.00 0.49 C ATOM 685 O ARG A 46 14.827 -11.180 -7.673 1.00 0.48 O ATOM 686 CB ARG A 46 17.307 -11.363 -8.878 1.00 0.59 C ATOM 687 CG ARG A 46 16.897 -12.724 -9.494 1.00 0.72 C ATOM 688 CD ARG A 46 15.798 -13.417 -8.669 1.00 0.92 C ATOM 689 NE ARG A 46 15.882 -14.888 -8.889 1.00 1.48 N ATOM 690 CZ ARG A 46 15.257 -15.705 -8.087 1.00 2.13 C ATOM 691 NH1 ARG A 46 14.553 -15.234 -7.095 1.00 2.62 N ATOM 692 NH2 ARG A 46 15.337 -16.994 -8.277 1.00 2.82 N ATOM 0 H ARG A 46 17.319 -8.685 -8.190 1.00 0.50 H new ATOM 0 HA ARG A 46 16.029 -10.397 -10.323 1.00 0.54 H new ATOM 0 HB2 ARG A 46 18.317 -11.107 -9.199 1.00 0.59 H new ATOM 0 HB3 ARG A 46 17.329 -11.447 -7.791 1.00 0.59 H new ATOM 0 HG2 ARG A 46 16.543 -12.570 -10.513 1.00 0.72 H new ATOM 0 HG3 ARG A 46 17.770 -13.373 -9.554 1.00 0.72 H new ATOM 0 HD2 ARG A 46 15.920 -13.187 -7.611 1.00 0.92 H new ATOM 0 HD3 ARG A 46 14.816 -13.048 -8.964 1.00 0.92 H new ATOM 0 HE ARG A 46 16.429 -15.257 -9.667 1.00 1.48 H new ATOM 0 HH11 ARG A 46 14.491 -14.227 -6.946 1.00 2.62 H new ATOM 0 HH12 ARG A 46 14.064 -15.873 -6.468 1.00 2.62 H new ATOM 0 HH21 ARG A 46 15.888 -17.362 -9.052 1.00 2.82 H new ATOM 0 HH22 ARG A 46 14.848 -17.633 -7.650 1.00 2.82 H new ATOM 706 N SER A 47 14.332 -9.194 -8.441 1.00 0.46 N ATOM 707 CA SER A 47 13.102 -9.117 -7.625 1.00 0.42 C ATOM 708 C SER A 47 12.311 -7.910 -8.108 1.00 0.42 C ATOM 709 O SER A 47 11.987 -7.792 -9.273 1.00 0.46 O ATOM 710 CB SER A 47 13.451 -8.976 -6.136 1.00 0.38 C ATOM 711 OG SER A 47 13.928 -7.664 -5.879 1.00 1.07 O ATOM 0 H SER A 47 14.514 -8.375 -9.021 1.00 0.46 H new ATOM 0 HA SER A 47 12.512 -10.027 -7.734 1.00 0.42 H new ATOM 0 HB2 SER A 47 12.571 -9.180 -5.525 1.00 0.38 H new ATOM 0 HB3 SER A 47 14.208 -9.710 -5.859 1.00 0.38 H new ATOM 0 HG SER A 47 14.874 -7.605 -6.128 1.00 1.07 H new ATOM 717 N LYS A 48 12.023 -7.004 -7.237 1.00 0.38 N ATOM 718 CA LYS A 48 11.282 -5.785 -7.643 1.00 0.40 C ATOM 719 C LYS A 48 11.484 -4.727 -6.566 1.00 0.35 C ATOM 720 O LYS A 48 12.323 -3.862 -6.691 1.00 0.34 O ATOM 721 CB LYS A 48 9.773 -6.080 -7.853 1.00 0.44 C ATOM 722 CG LYS A 48 9.307 -7.268 -6.997 1.00 1.11 C ATOM 723 CD LYS A 48 7.845 -7.595 -7.334 1.00 1.38 C ATOM 724 CE LYS A 48 6.944 -6.391 -7.020 1.00 2.13 C ATOM 725 NZ LYS A 48 5.555 -6.868 -6.770 1.00 2.73 N ATOM 0 H LYS A 48 12.269 -7.051 -6.248 1.00 0.38 H new ATOM 0 HA LYS A 48 11.666 -5.427 -8.598 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.189 -5.195 -7.598 1.00 0.44 H new ATOM 0 HB3 LYS A 48 9.586 -6.293 -8.905 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.938 -8.136 -7.185 1.00 1.11 H new ATOM 0 HG3 LYS A 48 9.403 -7.028 -5.938 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.758 -7.858 -8.388 1.00 1.38 H new ATOM 0 HD3 LYS A 48 7.518 -8.462 -6.761 1.00 1.38 H new ATOM 0 HE2 LYS A 48 7.321 -5.858 -6.147 1.00 2.13 H new ATOM 0 HE3 LYS A 48 6.955 -5.687 -7.852 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 4.942 -6.055 -6.557 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 5.199 -7.358 -7.615 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 5.553 -7.524 -5.963 1.00 2.73 H new ATOM 739 N GLN A 49 10.721 -4.802 -5.505 1.00 0.33 N ATOM 740 CA GLN A 49 10.839 -3.813 -4.393 1.00 0.30 C ATOM 741 C GLN A 49 11.023 -4.561 -3.063 1.00 0.25 C ATOM 742 O GLN A 49 10.466 -5.621 -2.845 1.00 0.26 O ATOM 743 CB GLN A 49 9.548 -2.977 -4.348 1.00 0.35 C ATOM 744 CG GLN A 49 9.682 -1.751 -5.259 1.00 0.82 C ATOM 745 CD GLN A 49 8.381 -0.946 -5.230 1.00 0.89 C ATOM 746 OE1 GLN A 49 8.359 0.208 -5.607 1.00 1.53 O ATOM 747 NE2 GLN A 49 7.287 -1.511 -4.794 1.00 1.52 N ATOM 0 H GLN A 49 10.010 -5.519 -5.361 1.00 0.33 H new ATOM 0 HA GLN A 49 11.698 -3.161 -4.554 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.701 -3.585 -4.666 1.00 0.35 H new ATOM 0 HB3 GLN A 49 9.347 -2.659 -3.325 1.00 0.35 H new ATOM 0 HG2 GLN A 49 10.514 -1.129 -4.929 1.00 0.82 H new ATOM 0 HG3 GLN A 49 9.904 -2.065 -6.279 1.00 0.82 H new ATOM 0 HE21 GLN A 49 7.305 -2.480 -4.477 1.00 1.52 H new ATOM 0 HE22 GLN A 49 6.415 -0.983 -4.770 1.00 1.52 H new ATOM 756 N VAL A 50 11.800 -4.004 -2.168 1.00 0.23 N ATOM 757 CA VAL A 50 12.028 -4.656 -0.842 1.00 0.19 C ATOM 758 C VAL A 50 12.028 -3.584 0.242 1.00 0.16 C ATOM 759 O VAL A 50 12.795 -2.647 0.195 1.00 0.15 O ATOM 760 CB VAL A 50 13.378 -5.374 -0.847 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.498 -6.243 0.407 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.480 -6.249 -2.099 1.00 0.31 C ATOM 0 H VAL A 50 12.290 -3.119 -2.300 1.00 0.23 H new ATOM 0 HA VAL A 50 11.237 -5.381 -0.648 1.00 0.19 H new ATOM 0 HB VAL A 50 14.185 -4.641 -0.852 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.460 -6.755 0.404 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.425 -5.614 1.294 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.695 -6.980 0.417 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.441 -6.763 -2.106 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.675 -6.984 -2.095 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.396 -5.624 -2.988 1.00 0.31 H new ATOM 772 N CYS A 51 11.175 -3.715 1.218 1.00 0.16 N ATOM 773 CA CYS A 51 11.119 -2.697 2.300 1.00 0.15 C ATOM 774 C CYS A 51 12.342 -2.839 3.203 1.00 0.14 C ATOM 775 O CYS A 51 12.895 -3.911 3.353 1.00 0.16 O ATOM 776 CB CYS A 51 9.848 -2.913 3.120 1.00 0.17 C ATOM 777 SG CYS A 51 8.401 -2.703 2.054 1.00 0.21 S ATOM 0 H CYS A 51 10.513 -4.485 1.312 1.00 0.16 H new ATOM 0 HA CYS A 51 11.112 -1.698 1.865 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.849 -3.912 3.557 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.810 -2.203 3.947 1.00 0.17 H new ATOM 782 N ALA A 52 12.777 -1.759 3.800 1.00 0.12 N ATOM 783 CA ALA A 52 13.977 -1.815 4.690 1.00 0.13 C ATOM 784 C ALA A 52 13.768 -0.888 5.889 1.00 0.15 C ATOM 785 O ALA A 52 13.294 0.225 5.754 1.00 0.15 O ATOM 786 CB ALA A 52 15.209 -1.356 3.910 1.00 0.11 C ATOM 0 H ALA A 52 12.351 -0.837 3.709 1.00 0.12 H new ATOM 0 HA ALA A 52 14.121 -2.838 5.039 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.085 -1.396 4.557 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.361 -2.011 3.052 1.00 0.11 H new ATOM 0 HB3 ALA A 52 15.060 -0.333 3.564 1.00 0.11 H new ATOM 792 N ASP A 53 14.120 -1.342 7.062 1.00 0.18 N ATOM 793 CA ASP A 53 13.948 -0.498 8.279 1.00 0.22 C ATOM 794 C ASP A 53 14.937 0.695 8.228 1.00 0.21 C ATOM 795 O ASP A 53 16.131 0.467 8.237 1.00 0.22 O ATOM 796 CB ASP A 53 14.264 -1.348 9.513 1.00 0.27 C ATOM 797 CG ASP A 53 13.561 -2.700 9.395 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.756 -3.361 8.388 1.00 2.10 O ATOM 799 OD2 ASP A 53 12.838 -3.052 10.313 1.00 2.17 O ATOM 0 H ASP A 53 14.521 -2.265 7.230 1.00 0.18 H new ATOM 0 HA ASP A 53 12.925 -0.123 8.325 1.00 0.22 H new ATOM 0 HB2 ASP A 53 15.341 -1.493 9.602 1.00 0.27 H new ATOM 0 HB3 ASP A 53 13.936 -0.833 10.416 1.00 0.27 H new ATOM 804 N PRO A 54 14.454 1.932 8.177 1.00 0.22 N ATOM 805 CA PRO A 54 15.367 3.096 8.130 1.00 0.24 C ATOM 806 C PRO A 54 16.228 3.151 9.402 1.00 0.28 C ATOM 807 O PRO A 54 17.120 3.966 9.525 1.00 0.30 O ATOM 808 CB PRO A 54 14.442 4.333 8.040 1.00 0.27 C ATOM 809 CG PRO A 54 12.972 3.824 8.066 1.00 0.27 C ATOM 810 CD PRO A 54 13.012 2.283 8.158 1.00 0.24 C ATOM 0 HA PRO A 54 16.056 3.045 7.287 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.627 5.011 8.873 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.638 4.892 7.125 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.436 4.244 8.917 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.442 4.140 7.168 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.509 1.929 9.058 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.506 1.824 7.308 1.00 0.24 H new ATOM 818 N SER A 55 15.952 2.305 10.352 1.00 0.31 N ATOM 819 CA SER A 55 16.737 2.324 11.620 1.00 0.36 C ATOM 820 C SER A 55 18.108 1.674 11.405 1.00 0.36 C ATOM 821 O SER A 55 19.027 1.885 12.172 1.00 0.40 O ATOM 822 CB SER A 55 15.975 1.553 12.697 1.00 0.40 C ATOM 823 OG SER A 55 16.196 0.161 12.523 1.00 1.42 O ATOM 0 H SER A 55 15.217 1.600 10.307 1.00 0.31 H new ATOM 0 HA SER A 55 16.880 3.358 11.934 1.00 0.36 H new ATOM 0 HB2 SER A 55 16.307 1.865 13.687 1.00 0.40 H new ATOM 0 HB3 SER A 55 14.910 1.774 12.634 1.00 0.40 H new ATOM 0 HG SER A 55 15.710 -0.336 13.214 1.00 1.42 H new ATOM 829 N GLU A 56 18.259 0.888 10.375 1.00 0.33 N ATOM 830 CA GLU A 56 19.578 0.236 10.127 1.00 0.34 C ATOM 831 C GLU A 56 20.508 1.228 9.417 1.00 0.33 C ATOM 832 O GLU A 56 20.222 1.715 8.341 1.00 0.29 O ATOM 833 CB GLU A 56 19.378 -1.010 9.260 1.00 0.31 C ATOM 834 CG GLU A 56 18.895 -2.175 10.129 1.00 0.35 C ATOM 835 CD GLU A 56 18.578 -3.379 9.239 1.00 1.30 C ATOM 836 OE1 GLU A 56 17.523 -3.376 8.626 1.00 2.01 O ATOM 837 OE2 GLU A 56 19.397 -4.282 9.186 1.00 2.08 O ATOM 0 H GLU A 56 17.530 0.669 9.696 1.00 0.33 H new ATOM 0 HA GLU A 56 20.027 -0.060 11.075 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.651 -0.805 8.474 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.313 -1.275 8.767 1.00 0.31 H new ATOM 0 HG2 GLU A 56 19.660 -2.440 10.858 1.00 0.35 H new ATOM 0 HG3 GLU A 56 18.008 -1.881 10.690 1.00 0.35 H new ATOM 844 N SER A 57 21.612 1.538 10.033 1.00 0.37 N ATOM 845 CA SER A 57 22.576 2.510 9.441 1.00 0.38 C ATOM 846 C SER A 57 22.904 2.166 7.984 1.00 0.35 C ATOM 847 O SER A 57 23.031 3.044 7.154 1.00 0.34 O ATOM 848 CB SER A 57 23.866 2.499 10.260 1.00 0.44 C ATOM 849 OG SER A 57 23.606 3.035 11.551 1.00 1.37 O ATOM 0 H SER A 57 21.893 1.154 10.935 1.00 0.37 H new ATOM 0 HA SER A 57 22.115 3.498 9.461 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.247 1.482 10.346 1.00 0.44 H new ATOM 0 HB3 SER A 57 24.635 3.086 9.758 1.00 0.44 H new ATOM 0 HG SER A 57 24.431 3.028 12.080 1.00 1.37 H new ATOM 855 N TRP A 58 23.072 0.913 7.659 1.00 0.34 N ATOM 856 CA TRP A 58 23.422 0.570 6.252 1.00 0.32 C ATOM 857 C TRP A 58 22.317 1.049 5.314 1.00 0.27 C ATOM 858 O TRP A 58 22.560 1.381 4.173 1.00 0.27 O ATOM 859 CB TRP A 58 23.669 -0.940 6.106 1.00 0.34 C ATOM 860 CG TRP A 58 22.388 -1.708 6.058 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.892 -2.440 7.080 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.456 -1.873 4.946 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.715 -3.039 6.676 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.397 -2.718 5.374 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.419 -1.373 3.623 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.338 -3.059 4.521 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.354 -1.714 2.760 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.315 -2.554 3.211 1.00 0.26 C ATOM 0 H TRP A 58 22.984 0.122 8.297 1.00 0.34 H new ATOM 0 HA TRP A 58 24.347 1.078 5.980 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.241 -1.129 5.197 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.273 -1.292 6.942 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.344 -2.540 8.056 1.00 0.32 H new ATOM 0 HE1 TRP A 58 20.149 -3.646 7.270 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.210 -0.727 3.271 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.546 -3.705 4.869 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.335 -1.330 1.751 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.501 -2.809 2.548 1.00 0.26 H new ATOM 879 N VAL A 59 21.108 1.117 5.789 1.00 0.24 N ATOM 880 CA VAL A 59 20.009 1.604 4.916 1.00 0.20 C ATOM 881 C VAL A 59 20.241 3.082 4.629 1.00 0.22 C ATOM 882 O VAL A 59 20.170 3.526 3.501 1.00 0.21 O ATOM 883 CB VAL A 59 18.672 1.414 5.630 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.536 1.973 4.769 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.457 -0.078 5.873 1.00 0.19 C ATOM 0 H VAL A 59 20.834 0.859 6.737 1.00 0.24 H new ATOM 0 HA VAL A 59 19.991 1.045 3.981 1.00 0.20 H new ATOM 0 HB VAL A 59 18.680 1.947 6.581 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.586 1.834 5.285 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.701 3.036 4.594 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.511 1.448 3.814 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.506 -0.230 6.383 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.446 -0.604 4.918 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.266 -0.466 6.492 1.00 0.19 H new ATOM 895 N GLN A 60 20.535 3.843 5.641 1.00 0.25 N ATOM 896 CA GLN A 60 20.793 5.294 5.424 1.00 0.28 C ATOM 897 C GLN A 60 22.051 5.460 4.567 1.00 0.30 C ATOM 898 O GLN A 60 22.131 6.331 3.722 1.00 0.31 O ATOM 899 CB GLN A 60 20.997 5.985 6.773 1.00 0.33 C ATOM 900 CG GLN A 60 19.766 5.763 7.653 1.00 1.25 C ATOM 901 CD GLN A 60 20.028 6.331 9.049 1.00 1.65 C ATOM 902 OE1 GLN A 60 20.477 7.451 9.187 1.00 2.33 O ATOM 903 NE2 GLN A 60 19.765 5.600 10.098 1.00 2.14 N ATOM 0 H GLN A 60 20.608 3.527 6.608 1.00 0.25 H new ATOM 0 HA GLN A 60 19.942 5.745 4.914 1.00 0.28 H new ATOM 0 HB2 GLN A 60 21.885 5.589 7.266 1.00 0.33 H new ATOM 0 HB3 GLN A 60 21.164 7.052 6.625 1.00 0.33 H new ATOM 0 HG2 GLN A 60 18.896 6.247 7.209 1.00 1.25 H new ATOM 0 HG3 GLN A 60 19.540 4.699 7.718 1.00 1.25 H new ATOM 0 HE21 GLN A 60 19.388 4.659 9.983 1.00 2.14 H new ATOM 0 HE22 GLN A 60 19.937 5.969 11.033 1.00 2.14 H new ATOM 912 N GLU A 61 23.036 4.631 4.781 1.00 0.31 N ATOM 913 CA GLU A 61 24.296 4.735 3.988 1.00 0.33 C ATOM 914 C GLU A 61 24.017 4.423 2.515 1.00 0.31 C ATOM 915 O GLU A 61 24.430 5.142 1.628 1.00 0.32 O ATOM 916 CB GLU A 61 25.324 3.740 4.531 1.00 0.35 C ATOM 917 CG GLU A 61 26.710 4.084 3.981 1.00 0.40 C ATOM 918 CD GLU A 61 27.751 3.146 4.596 1.00 1.29 C ATOM 919 OE1 GLU A 61 27.571 1.944 4.490 1.00 1.99 O ATOM 920 OE2 GLU A 61 28.709 3.645 5.162 1.00 2.03 O ATOM 0 H GLU A 61 23.023 3.883 5.474 1.00 0.31 H new ATOM 0 HA GLU A 61 24.686 5.750 4.071 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.336 3.772 5.620 1.00 0.35 H new ATOM 0 HB3 GLU A 61 25.049 2.725 4.244 1.00 0.35 H new ATOM 0 HG2 GLU A 61 26.716 3.989 2.895 1.00 0.40 H new ATOM 0 HG3 GLU A 61 26.957 5.120 4.212 1.00 0.40 H new ATOM 927 N TYR A 62 23.321 3.353 2.249 1.00 0.28 N ATOM 928 CA TYR A 62 23.018 2.991 0.834 1.00 0.28 C ATOM 929 C TYR A 62 22.191 4.106 0.188 1.00 0.28 C ATOM 930 O TYR A 62 22.341 4.402 -0.980 1.00 0.30 O ATOM 931 CB TYR A 62 22.230 1.669 0.795 1.00 0.25 C ATOM 932 CG TYR A 62 23.174 0.480 0.882 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.169 0.420 1.882 1.00 0.29 C ATOM 934 CD2 TYR A 62 23.050 -0.577 -0.044 1.00 0.27 C ATOM 935 CE1 TYR A 62 25.032 -0.690 1.952 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.915 -1.686 0.028 1.00 0.29 C ATOM 937 CZ TYR A 62 24.905 -1.742 1.026 1.00 0.31 C ATOM 938 OH TYR A 62 25.751 -2.829 1.096 1.00 0.34 O ATOM 0 H TYR A 62 22.948 2.713 2.950 1.00 0.28 H new ATOM 0 HA TYR A 62 23.950 2.868 0.283 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.520 1.638 1.622 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.649 1.613 -0.126 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.268 1.226 2.594 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.290 -0.536 -0.810 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.793 -0.734 2.717 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.818 -2.493 -0.683 1.00 0.29 H new ATOM 0 HH TYR A 62 25.527 -3.464 0.384 1.00 0.34 H new ATOM 948 N VAL A 63 21.330 4.735 0.938 1.00 0.27 N ATOM 949 CA VAL A 63 20.515 5.834 0.362 1.00 0.28 C ATOM 950 C VAL A 63 21.453 6.973 -0.011 1.00 0.32 C ATOM 951 O VAL A 63 21.323 7.590 -1.048 1.00 0.34 O ATOM 952 CB VAL A 63 19.498 6.312 1.402 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.830 7.605 0.925 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.430 5.233 1.599 1.00 0.25 C ATOM 0 H VAL A 63 21.157 4.534 1.923 1.00 0.27 H new ATOM 0 HA VAL A 63 19.977 5.490 -0.521 1.00 0.28 H new ATOM 0 HB VAL A 63 20.012 6.501 2.345 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.108 7.938 1.671 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.588 8.376 0.784 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.318 7.423 -0.020 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.704 5.570 2.339 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.923 5.046 0.652 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.901 4.314 1.946 1.00 0.25 H new ATOM 964 N TYR A 64 22.403 7.245 0.833 1.00 0.34 N ATOM 965 CA TYR A 64 23.363 8.336 0.543 1.00 0.38 C ATOM 966 C TYR A 64 24.155 7.985 -0.714 1.00 0.38 C ATOM 967 O TYR A 64 24.372 8.807 -1.580 1.00 0.41 O ATOM 968 CB TYR A 64 24.322 8.494 1.727 1.00 0.41 C ATOM 969 CG TYR A 64 24.997 9.847 1.664 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.258 11.015 1.936 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.364 9.941 1.334 1.00 0.49 C ATOM 972 CE1 TYR A 64 24.884 12.274 1.878 1.00 0.52 C ATOM 973 CE2 TYR A 64 26.989 11.201 1.276 1.00 0.54 C ATOM 974 CZ TYR A 64 26.249 12.368 1.548 1.00 0.55 C ATOM 975 OH TYR A 64 26.863 13.602 1.491 1.00 0.60 O ATOM 0 H TYR A 64 22.556 6.756 1.715 1.00 0.34 H new ATOM 0 HA TYR A 64 22.825 9.271 0.386 1.00 0.38 H new ATOM 0 HB2 TYR A 64 23.776 8.393 2.665 1.00 0.41 H new ATOM 0 HB3 TYR A 64 25.071 7.703 1.708 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.210 10.944 2.189 1.00 0.48 H new ATOM 0 HD2 TYR A 64 26.932 9.046 1.126 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.317 13.169 2.087 1.00 0.52 H new ATOM 0 HE2 TYR A 64 28.036 11.273 1.023 1.00 0.54 H new ATOM 0 HH TYR A 64 27.806 13.487 1.250 1.00 0.60 H new ATOM 985 N ASP A 65 24.586 6.762 -0.811 1.00 0.36 N ATOM 986 CA ASP A 65 25.370 6.332 -2.003 1.00 0.37 C ATOM 987 C ASP A 65 24.515 6.500 -3.262 1.00 0.37 C ATOM 988 O ASP A 65 25.009 6.823 -4.324 1.00 0.40 O ATOM 989 CB ASP A 65 25.763 4.861 -1.838 1.00 0.35 C ATOM 990 CG ASP A 65 26.971 4.749 -0.904 1.00 0.39 C ATOM 991 OD1 ASP A 65 27.157 5.645 -0.097 1.00 1.15 O ATOM 992 OD2 ASP A 65 27.689 3.769 -1.011 1.00 1.11 O ATOM 0 H ASP A 65 24.429 6.035 -0.113 1.00 0.36 H new ATOM 0 HA ASP A 65 26.268 6.942 -2.096 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.925 4.294 -1.433 1.00 0.35 H new ATOM 0 HB3 ASP A 65 26.001 4.427 -2.809 1.00 0.35 H new ATOM 997 N LEU A 66 23.237 6.284 -3.147 1.00 0.33 N ATOM 998 CA LEU A 66 22.340 6.429 -4.326 1.00 0.34 C ATOM 999 C LEU A 66 22.191 7.912 -4.673 1.00 0.39 C ATOM 1000 O LEU A 66 22.008 8.278 -5.817 1.00 0.42 O ATOM 1001 CB LEU A 66 20.972 5.826 -3.979 1.00 0.31 C ATOM 1002 CG LEU A 66 21.010 4.291 -4.136 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.900 3.655 -3.297 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.790 3.900 -5.607 1.00 0.30 C ATOM 0 H LEU A 66 22.771 6.011 -2.282 1.00 0.33 H new ATOM 0 HA LEU A 66 22.760 5.908 -5.187 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.700 6.088 -2.956 1.00 0.31 H new ATOM 0 HB3 LEU A 66 20.206 6.246 -4.630 1.00 0.31 H new ATOM 0 HG LEU A 66 21.985 3.937 -3.802 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.932 2.572 -3.412 1.00 0.24 H new ATOM 0 HD12 LEU A 66 20.044 3.913 -2.248 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.932 4.027 -3.632 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.819 2.815 -5.703 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.819 4.268 -5.940 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.575 4.340 -6.222 1.00 0.30 H new ATOM 1016 N GLU A 67 22.277 8.768 -3.695 1.00 0.40 N ATOM 1017 CA GLU A 67 22.151 10.229 -3.970 1.00 0.45 C ATOM 1018 C GLU A 67 23.423 10.715 -4.662 1.00 0.50 C ATOM 1019 O GLU A 67 23.404 11.649 -5.439 1.00 0.55 O ATOM 1020 CB GLU A 67 21.975 10.983 -2.652 1.00 0.46 C ATOM 1021 CG GLU A 67 20.588 10.697 -2.084 1.00 0.44 C ATOM 1022 CD GLU A 67 20.331 11.605 -0.879 1.00 1.13 C ATOM 1023 OE1 GLU A 67 20.771 12.742 -0.914 1.00 1.81 O ATOM 1024 OE2 GLU A 67 19.699 11.146 0.059 1.00 1.88 O ATOM 0 H GLU A 67 22.429 8.521 -2.717 1.00 0.40 H new ATOM 0 HA GLU A 67 21.287 10.410 -4.609 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.741 10.677 -1.940 1.00 0.46 H new ATOM 0 HB3 GLU A 67 22.100 12.054 -2.814 1.00 0.46 H new ATOM 0 HG2 GLU A 67 19.829 10.866 -2.848 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.514 9.651 -1.787 1.00 0.44 H new ATOM 1031 N LEU A 68 24.527 10.083 -4.384 1.00 0.49 N ATOM 1032 CA LEU A 68 25.808 10.498 -5.024 1.00 0.54 C ATOM 1033 C LEU A 68 25.851 9.978 -6.461 1.00 0.56 C ATOM 1034 O LEU A 68 25.211 10.511 -7.345 1.00 0.62 O ATOM 1035 CB LEU A 68 26.985 9.923 -4.243 1.00 0.55 C ATOM 1036 CG LEU A 68 26.991 10.483 -2.817 1.00 0.55 C ATOM 1037 CD1 LEU A 68 28.124 9.820 -2.041 1.00 0.56 C ATOM 1038 CD2 LEU A 68 27.204 12.011 -2.838 1.00 0.61 C ATOM 0 H LEU A 68 24.599 9.295 -3.740 1.00 0.49 H new ATOM 0 HA LEU A 68 25.873 11.586 -5.026 1.00 0.54 H new ATOM 0 HB2 LEU A 68 26.917 8.835 -4.215 1.00 0.55 H new ATOM 0 HB3 LEU A 68 27.921 10.171 -4.744 1.00 0.55 H new ATOM 0 HG LEU A 68 26.033 10.275 -2.341 1.00 0.55 H new ATOM 0 HD11 LEU A 68 28.143 10.208 -1.022 1.00 0.56 H new ATOM 0 HD12 LEU A 68 27.966 8.742 -2.016 1.00 0.56 H new ATOM 0 HD13 LEU A 68 29.074 10.036 -2.529 1.00 0.56 H new ATOM 0 HD21 LEU A 68 27.206 12.392 -1.817 1.00 0.61 H new ATOM 0 HD22 LEU A 68 28.159 12.239 -3.312 1.00 0.61 H new ATOM 0 HD23 LEU A 68 26.398 12.483 -3.400 1.00 0.61 H new ATOM 1050 N ASN A 69 26.604 8.936 -6.704 1.00 0.61 N ATOM 1051 CA ASN A 69 26.693 8.377 -8.084 1.00 0.64 C ATOM 1052 C ASN A 69 25.596 7.327 -8.281 1.00 0.70 C ATOM 1053 O ASN A 69 25.559 6.732 -9.346 1.00 1.15 O ATOM 1054 CB ASN A 69 28.062 7.722 -8.279 1.00 0.82 C ATOM 1055 CG ASN A 69 28.292 6.681 -7.180 1.00 1.67 C ATOM 1056 OD1 ASN A 69 27.818 5.566 -7.276 1.00 2.45 O ATOM 1057 ND2 ASN A 69 29.004 7.000 -6.135 1.00 2.41 N ATOM 1058 OXT ASN A 69 24.814 7.137 -7.365 1.00 1.44 O ATOM 0 H ASN A 69 27.162 8.448 -6.003 1.00 0.61 H new ATOM 0 HA ASN A 69 26.564 9.179 -8.810 1.00 0.64 H new ATOM 0 HB2 ASN A 69 28.114 7.249 -9.259 1.00 0.82 H new ATOM 0 HB3 ASN A 69 28.846 8.478 -8.248 1.00 0.82 H new ATOM 0 HD21 ASN A 69 29.163 6.314 -5.398 1.00 2.41 H new ATOM 0 HD22 ASN A 69 29.402 7.936 -6.055 1.00 2.41 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 9.945 -17.319 -12.769 1.00 3.98 N ATOM 1067 CA ALA B 1 9.294 -16.042 -12.364 1.00 3.41 C ATOM 1068 C ALA B 1 9.078 -16.031 -10.843 1.00 2.89 C ATOM 1069 O ALA B 1 7.951 -16.073 -10.389 1.00 2.91 O ATOM 1070 CB ALA B 1 7.939 -15.922 -13.067 1.00 3.83 C ATOM 0 H1 ALA B 1 10.879 -17.118 -13.179 1.00 3.98 H new ATOM 0 H2 ALA B 1 10.057 -17.931 -11.936 1.00 3.98 H new ATOM 0 H3 ALA B 1 9.354 -17.801 -13.475 1.00 3.98 H new ATOM 0 HA ALA B 1 9.933 -15.205 -12.645 1.00 3.41 H new ATOM 0 HB1 ALA B 1 7.458 -14.989 -12.774 1.00 3.83 H new ATOM 0 HB2 ALA B 1 8.087 -15.930 -14.147 1.00 3.83 H new ATOM 0 HB3 ALA B 1 7.305 -16.762 -12.782 1.00 3.83 H new ATOM 1078 N PRO B 2 10.158 -15.976 -10.090 1.00 2.53 N ATOM 1079 CA PRO B 2 10.069 -15.963 -8.617 1.00 2.14 C ATOM 1080 C PRO B 2 9.346 -14.689 -8.155 1.00 1.85 C ATOM 1081 O PRO B 2 9.288 -13.706 -8.865 1.00 1.89 O ATOM 1082 CB PRO B 2 11.539 -15.992 -8.128 1.00 1.96 C ATOM 1083 CG PRO B 2 12.452 -15.954 -9.390 1.00 2.21 C ATOM 1084 CD PRO B 2 11.534 -15.927 -10.633 1.00 2.60 C ATOM 0 HA PRO B 2 9.504 -16.805 -8.216 1.00 2.14 H new ATOM 0 HB2 PRO B 2 11.745 -15.140 -7.480 1.00 1.96 H new ATOM 0 HB3 PRO B 2 11.731 -16.891 -7.543 1.00 1.96 H new ATOM 0 HG2 PRO B 2 13.095 -15.074 -9.370 1.00 2.21 H new ATOM 0 HG3 PRO B 2 13.105 -16.826 -9.416 1.00 2.21 H new ATOM 0 HD2 PRO B 2 11.694 -15.025 -11.223 1.00 2.60 H new ATOM 0 HD3 PRO B 2 11.731 -16.776 -11.288 1.00 2.60 H new ATOM 1092 N MET B 3 8.796 -14.704 -6.972 1.00 1.69 N ATOM 1093 CA MET B 3 8.082 -13.497 -6.468 1.00 1.53 C ATOM 1094 C MET B 3 9.102 -12.480 -5.952 1.00 1.17 C ATOM 1095 O MET B 3 10.222 -12.820 -5.625 1.00 0.99 O ATOM 1096 CB MET B 3 7.142 -13.899 -5.331 1.00 1.63 C ATOM 1097 CG MET B 3 6.357 -15.148 -5.735 1.00 2.15 C ATOM 1098 SD MET B 3 5.084 -15.489 -4.495 1.00 2.54 S ATOM 1099 CE MET B 3 4.206 -16.773 -5.419 1.00 3.59 C ATOM 0 H MET B 3 8.810 -15.499 -6.333 1.00 1.69 H new ATOM 0 HA MET B 3 7.503 -13.052 -7.277 1.00 1.53 H new ATOM 0 HB2 MET B 3 7.714 -14.094 -4.424 1.00 1.63 H new ATOM 0 HB3 MET B 3 6.456 -13.082 -5.106 1.00 1.63 H new ATOM 0 HG2 MET B 3 5.897 -15.001 -6.712 1.00 2.15 H new ATOM 0 HG3 MET B 3 7.030 -16.001 -5.824 1.00 2.15 H new ATOM 0 HE1 MET B 3 3.364 -17.134 -4.829 1.00 3.59 H new ATOM 0 HE2 MET B 3 3.840 -16.359 -6.359 1.00 3.59 H new ATOM 0 HE3 MET B 3 4.885 -17.600 -5.627 1.00 3.59 H new ATOM 1109 N GLY B 4 8.725 -11.232 -5.877 1.00 1.14 N ATOM 1110 CA GLY B 4 9.675 -10.196 -5.381 1.00 0.89 C ATOM 1111 C GLY B 4 10.207 -10.607 -4.008 1.00 0.62 C ATOM 1112 O GLY B 4 9.908 -11.674 -3.511 1.00 0.70 O ATOM 0 H GLY B 4 7.802 -10.886 -6.137 1.00 1.14 H new ATOM 0 HA2 GLY B 4 10.501 -10.079 -6.083 1.00 0.89 H new ATOM 0 HA3 GLY B 4 9.174 -9.230 -5.314 1.00 0.89 H new ATOM 1116 N SER B 5 10.998 -9.770 -3.388 1.00 0.44 N ATOM 1117 CA SER B 5 11.548 -10.118 -2.045 1.00 0.30 C ATOM 1118 C SER B 5 10.548 -9.696 -0.953 1.00 0.27 C ATOM 1119 O SER B 5 10.008 -10.521 -0.244 1.00 0.30 O ATOM 1120 CB SER B 5 12.902 -9.415 -1.851 1.00 0.49 C ATOM 1121 OG SER B 5 13.887 -10.389 -1.528 1.00 1.52 O ATOM 0 H SER B 5 11.286 -8.862 -3.753 1.00 0.44 H new ATOM 0 HA SER B 5 11.702 -11.195 -1.973 1.00 0.30 H new ATOM 0 HB2 SER B 5 13.183 -8.882 -2.759 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.831 -8.673 -1.055 1.00 0.49 H new ATOM 0 HG SER B 5 14.754 -9.949 -1.404 1.00 1.52 H new ATOM 1127 N ASP B 6 10.298 -8.420 -0.818 1.00 0.24 N ATOM 1128 CA ASP B 6 9.331 -7.955 0.225 1.00 0.23 C ATOM 1129 C ASP B 6 8.797 -6.563 -0.151 1.00 0.21 C ATOM 1130 O ASP B 6 9.121 -5.590 0.502 1.00 0.20 O ATOM 1131 CB ASP B 6 10.038 -7.876 1.588 1.00 0.25 C ATOM 1132 CG ASP B 6 8.995 -7.846 2.708 1.00 1.26 C ATOM 1133 OD1 ASP B 6 7.822 -7.735 2.395 1.00 2.03 O ATOM 1134 OD2 ASP B 6 9.388 -7.932 3.860 1.00 2.00 O ATOM 0 H ASP B 6 10.719 -7.681 -1.381 1.00 0.24 H new ATOM 0 HA ASP B 6 8.502 -8.660 0.285 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.699 -8.733 1.716 1.00 0.25 H new ATOM 0 HB3 ASP B 6 10.661 -6.983 1.634 1.00 0.25 H new ATOM 1139 N PRO B 7 8.000 -6.496 -1.197 1.00 0.22 N ATOM 1140 CA PRO B 7 7.436 -5.210 -1.653 1.00 0.22 C ATOM 1141 C PRO B 7 6.492 -4.632 -0.574 1.00 0.20 C ATOM 1142 O PRO B 7 6.133 -5.328 0.355 1.00 0.20 O ATOM 1143 CB PRO B 7 6.669 -5.553 -2.954 1.00 0.25 C ATOM 1144 CG PRO B 7 6.785 -7.090 -3.176 1.00 0.27 C ATOM 1145 CD PRO B 7 7.604 -7.671 -2.002 1.00 0.26 C ATOM 0 HA PRO B 7 8.199 -4.452 -1.829 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.624 -5.256 -2.872 1.00 0.25 H new ATOM 0 HB3 PRO B 7 7.089 -5.011 -3.801 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.796 -7.547 -3.216 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.274 -7.304 -4.127 1.00 0.27 H new ATOM 0 HD2 PRO B 7 7.010 -8.371 -1.414 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.477 -8.217 -2.361 1.00 0.26 H new ATOM 1153 N PRO B 8 6.110 -3.378 -0.728 1.00 0.21 N ATOM 1154 CA PRO B 8 5.203 -2.717 0.235 1.00 0.22 C ATOM 1155 C PRO B 8 3.839 -3.424 0.247 1.00 0.22 C ATOM 1156 O PRO B 8 3.716 -4.567 -0.147 1.00 0.22 O ATOM 1157 CB PRO B 8 5.075 -1.261 -0.278 1.00 0.24 C ATOM 1158 CG PRO B 8 5.784 -1.194 -1.662 1.00 0.26 C ATOM 1159 CD PRO B 8 6.544 -2.525 -1.856 1.00 0.24 C ATOM 0 HA PRO B 8 5.578 -2.751 1.258 1.00 0.22 H new ATOM 0 HB2 PRO B 8 4.027 -0.976 -0.369 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.535 -0.565 0.423 1.00 0.24 H new ATOM 0 HG2 PRO B 8 5.056 -1.048 -2.460 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.472 -0.350 -1.700 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.300 -2.983 -2.815 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.623 -2.370 -1.842 1.00 0.24 H new ATOM 1167 N THR B 9 2.813 -2.747 0.696 1.00 0.23 N ATOM 1168 CA THR B 9 1.459 -3.371 0.734 1.00 0.24 C ATOM 1169 C THR B 9 0.390 -2.280 0.728 1.00 0.24 C ATOM 1170 O THR B 9 0.397 -1.380 1.545 1.00 0.25 O ATOM 1171 CB THR B 9 1.319 -4.208 2.006 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.474 -5.020 2.165 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.078 -5.096 1.902 1.00 0.29 C ATOM 0 H THR B 9 2.856 -1.787 1.038 1.00 0.23 H new ATOM 0 HA THR B 9 1.332 -4.009 -0.141 1.00 0.24 H new ATOM 0 HB THR B 9 1.217 -3.547 2.867 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.847 -5.235 1.284 1.00 0.26 H new ATOM 0 HG21 THR B 9 -0.020 -5.692 2.809 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.807 -4.472 1.780 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.176 -5.758 1.042 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.530 -2.355 -0.191 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.607 -1.329 -0.262 1.00 0.23 C ATOM 1183 C ALA B 10 -2.540 -1.477 0.940 1.00 0.22 C ATOM 1184 O ALA B 10 -3.593 -2.075 0.847 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.403 -1.529 -1.549 1.00 0.23 C ATOM 0 H ALA B 10 -0.583 -3.086 -0.900 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.163 -0.333 -0.252 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.194 -0.781 -1.608 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.739 -1.424 -2.407 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.845 -2.525 -1.552 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.164 -0.926 2.068 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.023 -1.015 3.290 1.00 0.25 C ATOM 1193 C CYS B 11 -3.617 0.365 3.577 1.00 0.25 C ATOM 1194 O CYS B 11 -2.954 1.375 3.444 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.169 -1.463 4.478 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.249 -2.957 4.032 1.00 0.34 S ATOM 0 H CYS B 11 -1.291 -0.414 2.195 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.825 -1.736 3.131 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.478 -0.669 4.763 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.804 -1.658 5.342 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.862 0.421 3.963 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.491 1.741 4.248 1.00 0.24 C ATOM 1203 C CYS B 12 -4.976 2.279 5.583 1.00 0.24 C ATOM 1204 O CYS B 12 -4.720 1.533 6.508 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.012 1.584 4.316 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.644 1.107 2.690 1.00 0.24 S ATOM 0 H CYS B 12 -5.469 -0.388 4.093 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.234 2.439 3.451 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.277 0.829 5.056 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.471 2.520 4.636 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.831 3.574 5.692 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.340 4.187 6.965 1.00 0.27 C ATOM 1213 C PHE B 13 -5.527 4.815 7.697 1.00 0.24 C ATOM 1214 O PHE B 13 -5.474 5.085 8.880 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.314 5.274 6.641 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.983 6.370 5.849 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.246 6.186 4.478 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.350 7.573 6.483 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.874 7.206 3.740 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.978 8.593 5.745 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.242 8.410 4.373 1.00 0.37 C ATOM 0 H PHE B 13 -5.033 4.240 4.947 1.00 0.25 H new ATOM 0 HA PHE B 13 -3.876 3.425 7.591 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.893 5.679 7.561 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.486 4.851 6.071 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -3.966 5.262 3.993 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.149 7.712 7.535 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -5.074 7.066 2.688 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.258 9.516 6.230 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.726 9.192 3.807 1.00 0.37 H new ATOM 1231 N SER B 14 -6.600 5.050 6.991 1.00 0.21 N ATOM 1232 CA SER B 14 -7.803 5.658 7.623 1.00 0.20 C ATOM 1233 C SER B 14 -9.033 5.303 6.789 1.00 0.18 C ATOM 1234 O SER B 14 -9.071 4.282 6.131 1.00 0.17 O ATOM 1235 CB SER B 14 -7.640 7.179 7.674 1.00 0.20 C ATOM 1236 OG SER B 14 -7.598 7.691 6.349 1.00 0.25 O ATOM 0 H SER B 14 -6.694 4.845 5.996 1.00 0.21 H new ATOM 0 HA SER B 14 -7.922 5.276 8.637 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.468 7.627 8.223 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.726 7.441 8.207 1.00 0.20 H new ATOM 0 HG SER B 14 -6.673 7.688 6.026 1.00 0.25 H new ATOM 1242 N TYR B 15 -10.041 6.132 6.806 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.267 5.832 6.008 1.00 0.20 C ATOM 1244 C TYR B 15 -11.991 7.136 5.673 1.00 0.24 C ATOM 1245 O TYR B 15 -11.762 8.160 6.284 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.202 4.924 6.820 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.393 3.881 7.553 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -11.108 2.649 6.936 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -10.923 4.142 8.855 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.354 1.676 7.622 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.169 3.170 9.540 1.00 0.28 C ATOM 1252 CZ TYR B 15 -9.884 1.937 8.923 1.00 0.27 C ATOM 1253 OH TYR B 15 -9.145 0.984 9.594 1.00 0.32 O ATOM 0 H TYR B 15 -10.070 7.003 7.336 1.00 0.19 H new ATOM 0 HA TYR B 15 -10.981 5.326 5.086 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.775 5.519 7.531 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.920 4.441 6.158 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.467 2.449 5.937 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.141 5.088 9.328 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -10.137 0.730 7.149 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -9.809 3.370 10.538 1.00 0.28 H new ATOM 0 HH TYR B 15 -8.898 1.325 10.479 1.00 0.32 H new ATOM 1263 N THR B 16 -12.869 7.103 4.709 1.00 0.22 N ATOM 1264 CA THR B 16 -13.609 8.342 4.343 1.00 0.28 C ATOM 1265 C THR B 16 -14.366 8.848 5.574 1.00 0.32 C ATOM 1266 O THR B 16 -14.134 8.402 6.680 1.00 0.38 O ATOM 1267 CB THR B 16 -14.589 8.039 3.199 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.508 9.112 3.059 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.354 6.747 3.492 1.00 0.27 C ATOM 0 H THR B 16 -13.105 6.275 4.161 1.00 0.22 H new ATOM 0 HA THR B 16 -12.911 9.110 4.008 1.00 0.28 H new ATOM 0 HB THR B 16 -14.026 7.919 2.273 1.00 0.28 H new ATOM 0 HG1 THR B 16 -16.130 8.916 2.328 1.00 0.39 H new ATOM 0 HG21 THR B 16 -16.046 6.541 2.676 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.650 5.921 3.588 1.00 0.27 H new ATOM 0 HG23 THR B 16 -15.912 6.858 4.422 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.266 9.778 5.394 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.044 10.322 6.548 1.00 0.42 C ATOM 1279 C ALA B 17 -17.504 10.463 6.127 1.00 0.45 C ATOM 1280 O ALA B 17 -18.308 11.066 6.810 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.487 11.695 6.927 1.00 0.50 C ATOM 0 H ALA B 17 -15.498 10.188 4.489 1.00 0.36 H new ATOM 0 HA ALA B 17 -15.967 9.652 7.404 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.051 12.097 7.769 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.438 11.598 7.207 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.574 12.371 6.076 1.00 0.50 H new ATOM 1287 N ARG B 18 -17.847 9.900 5.000 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.251 9.977 4.502 1.00 0.48 C ATOM 1289 C ARG B 18 -19.616 8.641 3.853 1.00 0.41 C ATOM 1290 O ARG B 18 -18.911 8.142 2.999 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.355 11.100 3.464 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.461 12.453 4.178 1.00 0.70 C ATOM 1293 CD ARG B 18 -19.152 13.576 3.190 1.00 1.15 C ATOM 1294 NE ARG B 18 -19.594 14.879 3.762 1.00 1.96 N ATOM 1295 CZ ARG B 18 -19.158 15.996 3.249 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -18.329 15.972 2.241 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -19.550 17.138 3.744 1.00 3.63 N ATOM 0 H ARG B 18 -17.207 9.384 4.396 1.00 0.47 H new ATOM 0 HA ARG B 18 -19.933 10.184 5.327 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.481 11.089 2.813 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.227 10.943 2.830 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -20.462 12.582 4.590 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -18.765 12.490 5.016 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -18.083 13.604 2.978 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -19.660 13.392 2.243 1.00 1.15 H new ATOM 0 HE ARG B 18 -20.237 14.897 4.554 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -18.022 15.079 1.854 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -17.988 16.846 1.840 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -20.197 17.157 4.532 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -19.209 18.012 3.343 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.710 8.056 4.250 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.111 6.753 3.651 1.00 0.35 C ATOM 1313 C LYS B 19 -21.380 6.955 2.157 1.00 0.31 C ATOM 1314 O LYS B 19 -22.111 7.840 1.759 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.370 6.239 4.365 1.00 0.38 C ATOM 1316 CG LYS B 19 -23.041 5.128 3.533 1.00 0.40 C ATOM 1317 CD LYS B 19 -23.937 4.237 4.422 1.00 0.62 C ATOM 1318 CE LYS B 19 -25.356 4.822 4.525 1.00 0.97 C ATOM 1319 NZ LYS B 19 -25.306 6.307 4.435 1.00 1.79 N ATOM 0 H LYS B 19 -21.343 8.422 4.961 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.316 6.017 3.770 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.106 5.856 5.351 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.070 7.060 4.519 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.639 5.574 2.739 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.277 4.517 3.052 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -23.983 3.230 4.007 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -23.500 4.152 5.417 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -25.981 4.423 3.726 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -25.813 4.522 5.468 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -26.270 6.692 4.506 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -24.725 6.683 5.212 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -24.888 6.586 3.524 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.779 6.146 1.329 1.00 0.27 N ATOM 1334 CA LEU B 20 -20.980 6.292 -0.140 1.00 0.27 C ATOM 1335 C LEU B 20 -22.388 5.789 -0.536 1.00 0.27 C ATOM 1336 O LEU B 20 -22.666 4.620 -0.353 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.944 5.437 -0.872 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.554 5.652 -0.269 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.514 4.986 -1.168 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.248 7.152 -0.167 1.00 0.27 C ATOM 0 H LEU B 20 -20.156 5.388 1.607 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.875 7.343 -0.409 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.218 4.384 -0.804 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.932 5.696 -1.931 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.523 5.215 0.729 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.520 5.134 -0.746 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.723 3.919 -1.238 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.556 5.429 -2.163 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.257 7.293 0.263 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.279 7.598 -1.161 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -18.991 7.633 0.469 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.244 6.639 -1.086 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.584 6.186 -1.502 1.00 0.34 C ATOM 1354 C PRO B 21 -24.448 5.019 -2.481 1.00 0.30 C ATOM 1355 O PRO B 21 -23.518 4.959 -3.259 1.00 0.29 O ATOM 1356 CB PRO B 21 -25.226 7.412 -2.191 1.00 0.39 C ATOM 1357 CG PRO B 21 -24.287 8.624 -1.943 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.978 8.076 -1.336 1.00 0.35 C ATOM 0 HA PRO B 21 -25.190 5.835 -0.666 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.348 7.233 -3.259 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -26.219 7.605 -1.785 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -24.086 9.151 -2.876 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.754 9.339 -1.266 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -22.140 8.209 -2.020 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.722 8.597 -0.413 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.374 4.102 -2.468 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.294 2.962 -3.423 1.00 0.30 C ATOM 1368 C ARG B 22 -25.076 3.530 -4.832 1.00 0.31 C ATOM 1369 O ARG B 22 -24.402 2.947 -5.657 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.608 2.160 -3.362 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.356 0.692 -3.737 1.00 0.69 C ATOM 1372 CD ARG B 22 -25.812 0.593 -5.170 1.00 1.24 C ATOM 1373 NE ARG B 22 -26.186 -0.729 -5.747 1.00 1.34 N ATOM 1374 CZ ARG B 22 -26.099 -0.928 -7.033 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -25.679 0.028 -7.815 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -26.431 -2.085 -7.539 1.00 2.44 N ATOM 0 H ARG B 22 -26.179 4.092 -1.841 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.468 2.298 -3.167 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -27.031 2.219 -2.359 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.340 2.596 -4.043 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -25.645 0.248 -3.040 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -27.282 0.124 -3.653 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -26.218 1.398 -5.782 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -24.728 0.709 -5.169 1.00 1.24 H new ATOM 0 HE ARG B 22 -26.510 -1.479 -5.136 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -25.418 0.932 -7.421 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -25.611 -0.128 -8.821 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -26.759 -2.834 -6.928 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -26.363 -2.240 -8.545 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.646 4.676 -5.102 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.481 5.302 -6.444 1.00 0.37 C ATOM 1392 C ASN B 23 -24.058 5.849 -6.590 1.00 0.37 C ATOM 1393 O ASN B 23 -23.776 6.639 -7.468 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.484 6.449 -6.597 1.00 0.42 C ATOM 1395 CG ASN B 23 -27.896 5.933 -6.317 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -28.421 5.131 -7.062 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -28.539 6.365 -5.266 1.00 2.38 N ATOM 0 H ASN B 23 -26.221 5.206 -4.447 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.660 4.552 -7.215 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -26.237 7.256 -5.908 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -26.429 6.862 -7.604 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -29.482 6.029 -5.071 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -28.098 7.039 -4.640 1.00 2.38 H new ATOM 1404 N PHE B 24 -23.161 5.443 -5.728 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.750 5.945 -5.803 1.00 0.33 C ATOM 1406 C PHE B 24 -20.795 4.781 -5.521 1.00 0.30 C ATOM 1407 O PHE B 24 -19.697 4.970 -5.037 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.557 7.045 -4.744 1.00 0.33 C ATOM 1409 CG PHE B 24 -20.376 7.928 -5.098 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -20.382 8.670 -6.298 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -19.275 8.023 -4.221 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -19.291 9.499 -6.617 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -18.185 8.853 -4.543 1.00 0.37 C ATOM 1414 CZ PHE B 24 -18.193 9.591 -5.740 1.00 0.41 C ATOM 0 H PHE B 24 -23.343 4.783 -4.972 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.544 6.353 -6.793 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.461 7.650 -4.672 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.398 6.591 -3.766 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -21.224 8.602 -6.971 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -19.269 7.458 -3.301 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -19.296 10.066 -7.536 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.343 8.923 -3.871 1.00 0.37 H new ATOM 0 HZ PHE B 24 -17.357 10.228 -5.987 1.00 0.41 H new ATOM 1424 N VAL B 25 -21.212 3.579 -5.821 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.343 2.391 -5.574 1.00 0.28 C ATOM 1426 C VAL B 25 -20.657 1.315 -6.617 1.00 0.30 C ATOM 1427 O VAL B 25 -21.511 0.475 -6.418 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.628 1.836 -4.175 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.685 0.669 -3.881 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.408 2.933 -3.131 1.00 0.23 C ATOM 0 H VAL B 25 -22.123 3.368 -6.229 1.00 0.30 H new ATOM 0 HA VAL B 25 -19.295 2.681 -5.646 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.661 1.491 -4.133 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.891 0.277 -2.885 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.839 -0.118 -4.620 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.652 1.015 -3.929 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.612 2.535 -2.137 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.376 3.279 -3.179 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -21.080 3.767 -3.333 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.976 1.338 -7.731 1.00 0.33 N ATOM 1441 CA VAL B 26 -20.236 0.324 -8.790 1.00 0.36 C ATOM 1442 C VAL B 26 -19.446 -0.949 -8.493 1.00 0.35 C ATOM 1443 O VAL B 26 -19.667 -1.981 -9.094 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.803 0.889 -10.144 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.696 2.074 -10.508 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -18.347 1.356 -10.065 1.00 0.61 C ATOM 0 H VAL B 26 -19.249 2.018 -7.953 1.00 0.33 H new ATOM 0 HA VAL B 26 -21.300 0.087 -8.812 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.894 0.114 -10.905 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -20.389 2.478 -11.473 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.733 1.744 -10.566 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.604 2.847 -9.745 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -18.041 1.758 -11.031 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -18.254 2.130 -9.304 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.708 0.512 -9.804 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.524 -0.890 -7.573 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.729 -2.105 -7.251 1.00 0.31 C ATOM 1458 C ASP B 27 -16.902 -1.849 -5.995 1.00 0.27 C ATOM 1459 O ASP B 27 -17.055 -0.840 -5.335 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.793 -2.425 -8.420 1.00 0.34 C ATOM 1461 CG ASP B 27 -16.227 -3.837 -8.248 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.935 -4.779 -8.558 1.00 1.09 O ATOM 1463 OD2 ASP B 27 -15.094 -3.949 -7.809 1.00 1.13 O ATOM 0 H ASP B 27 -18.288 -0.057 -7.033 1.00 0.32 H new ATOM 0 HA ASP B 27 -18.400 -2.947 -7.081 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -17.334 -2.351 -9.364 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.981 -1.699 -8.460 1.00 0.34 H new ATOM 1468 N TYR B 28 -16.025 -2.754 -5.655 1.00 0.26 N ATOM 1469 CA TYR B 28 -15.193 -2.551 -4.439 1.00 0.23 C ATOM 1470 C TYR B 28 -13.905 -3.362 -4.544 1.00 0.25 C ATOM 1471 O TYR B 28 -13.625 -3.992 -5.543 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.977 -2.967 -3.189 1.00 0.19 C ATOM 1473 CG TYR B 28 -16.086 -4.477 -3.097 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.780 -5.198 -4.090 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.506 -5.160 -2.009 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.891 -6.597 -3.994 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.618 -6.558 -1.913 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.310 -7.279 -2.905 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.422 -8.651 -2.812 1.00 0.28 O ATOM 0 H TYR B 28 -15.850 -3.620 -6.165 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.938 -1.494 -4.359 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.482 -2.579 -2.299 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.974 -2.527 -3.217 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -17.226 -4.677 -4.924 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.975 -4.608 -1.248 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.422 -7.149 -4.755 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -15.173 -7.079 -1.078 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.965 -8.962 -2.003 1.00 0.28 H new ATOM 1489 N TYR B 29 -13.117 -3.327 -3.513 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.830 -4.065 -3.523 1.00 0.25 C ATOM 1491 C TYR B 29 -11.353 -4.227 -2.073 1.00 0.22 C ATOM 1492 O TYR B 29 -11.437 -3.311 -1.283 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.824 -3.250 -4.355 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.407 -3.667 -4.043 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.934 -4.916 -4.476 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.561 -2.800 -3.323 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.612 -5.308 -4.186 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.240 -3.189 -3.034 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.765 -4.444 -3.464 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.470 -4.825 -3.181 1.00 0.39 O ATOM 0 H TYR B 29 -13.311 -2.813 -2.654 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.934 -5.056 -3.965 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -11.024 -3.392 -5.417 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.949 -2.187 -4.147 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.583 -5.576 -5.031 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.926 -1.838 -2.994 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -7.248 -6.270 -4.517 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.590 -2.526 -2.483 1.00 0.38 H new ATOM 0 HH TYR B 29 -5.022 -4.113 -2.678 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.861 -5.381 -1.704 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.390 -5.579 -0.295 1.00 0.20 C ATOM 1512 C GLU B 30 -8.882 -5.315 -0.217 1.00 0.21 C ATOM 1513 O GLU B 30 -8.169 -5.423 -1.195 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.685 -7.016 0.144 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.167 -7.154 0.503 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.449 -8.584 0.968 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -11.987 -8.939 2.041 1.00 1.35 O ATOM 1518 OE2 GLU B 30 -13.121 -9.300 0.245 1.00 1.43 O ATOM 0 H GLU B 30 -10.764 -6.194 -2.313 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.912 -4.885 0.364 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.429 -7.710 -0.656 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -10.067 -7.278 1.003 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.429 -6.446 1.290 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.785 -6.913 -0.362 1.00 0.25 H new ATOM 1525 N THR B 31 -8.397 -4.957 0.941 1.00 0.19 N ATOM 1526 CA THR B 31 -6.939 -4.671 1.095 1.00 0.21 C ATOM 1527 C THR B 31 -6.133 -5.970 1.083 1.00 0.25 C ATOM 1528 O THR B 31 -6.621 -7.020 0.715 1.00 0.27 O ATOM 1529 CB THR B 31 -6.709 -3.957 2.427 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.396 -4.656 3.447 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.232 -2.523 2.326 1.00 0.20 C ATOM 0 H THR B 31 -8.949 -4.849 1.792 1.00 0.19 H new ATOM 0 HA THR B 31 -6.613 -4.044 0.265 1.00 0.21 H new ATOM 0 HB THR B 31 -5.645 -3.931 2.662 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.484 -5.599 3.195 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.070 -2.009 3.274 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.701 -1.997 1.533 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.298 -2.540 2.100 1.00 0.20 H new ATOM 1539 N SER B 32 -4.895 -5.894 1.489 1.00 0.27 N ATOM 1540 CA SER B 32 -4.027 -7.103 1.516 1.00 0.31 C ATOM 1541 C SER B 32 -4.249 -7.869 2.819 1.00 0.33 C ATOM 1542 O SER B 32 -5.354 -7.982 3.312 1.00 0.33 O ATOM 1543 CB SER B 32 -2.567 -6.666 1.435 1.00 0.33 C ATOM 1544 OG SER B 32 -2.391 -5.821 0.307 1.00 1.27 O ATOM 0 H SER B 32 -4.444 -5.036 1.806 1.00 0.27 H new ATOM 0 HA SER B 32 -4.273 -7.748 0.672 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.282 -6.140 2.346 1.00 0.33 H new ATOM 0 HB3 SER B 32 -1.918 -7.538 1.355 1.00 0.33 H new ATOM 0 HG SER B 32 -1.626 -6.134 -0.220 1.00 1.27 H new ATOM 1550 N SER B 33 -3.196 -8.397 3.375 1.00 0.36 N ATOM 1551 CA SER B 33 -3.312 -9.167 4.650 1.00 0.40 C ATOM 1552 C SER B 33 -2.045 -8.954 5.473 1.00 0.40 C ATOM 1553 O SER B 33 -2.082 -8.872 6.685 1.00 0.42 O ATOM 1554 CB SER B 33 -3.445 -10.651 4.325 1.00 0.46 C ATOM 1555 OG SER B 33 -2.157 -11.191 4.065 1.00 0.48 O ATOM 0 H SER B 33 -2.250 -8.329 3.000 1.00 0.36 H new ATOM 0 HA SER B 33 -4.184 -8.829 5.210 1.00 0.40 H new ATOM 0 HB2 SER B 33 -3.911 -11.177 5.158 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.092 -10.789 3.458 1.00 0.46 H new ATOM 0 HG SER B 33 -2.238 -12.145 3.857 1.00 0.48 H new ATOM 1561 N LEU B 34 -0.924 -8.875 4.808 1.00 0.39 N ATOM 1562 CA LEU B 34 0.378 -8.672 5.513 1.00 0.39 C ATOM 1563 C LEU B 34 0.214 -7.672 6.656 1.00 0.37 C ATOM 1564 O LEU B 34 0.510 -7.961 7.799 1.00 0.40 O ATOM 1565 CB LEU B 34 1.411 -8.125 4.525 1.00 0.36 C ATOM 1566 CG LEU B 34 1.323 -8.877 3.196 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.477 -8.441 2.292 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.411 -10.385 3.453 1.00 0.45 C ATOM 0 H LEU B 34 -0.853 -8.943 3.793 1.00 0.39 H new ATOM 0 HA LEU B 34 0.710 -9.629 5.916 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.240 -7.061 4.361 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.413 -8.226 4.942 1.00 0.36 H new ATOM 0 HG LEU B 34 0.374 -8.651 2.710 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.418 -8.975 1.344 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.411 -7.368 2.109 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.426 -8.669 2.778 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.348 -10.920 2.505 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.359 -10.617 3.938 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.588 -10.693 4.098 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.255 -6.496 6.354 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.434 -5.474 7.420 1.00 0.34 C ATOM 1582 C CYS B 35 -1.582 -5.905 8.339 1.00 0.39 C ATOM 1583 O CYS B 35 -2.649 -6.265 7.893 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.747 -4.116 6.781 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.860 -4.342 5.372 1.00 0.40 S ATOM 0 H CYS B 35 -0.522 -6.198 5.416 1.00 0.33 H new ATOM 0 HA CYS B 35 0.481 -5.383 8.006 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.206 -3.455 7.516 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.176 -3.637 6.454 1.00 0.32 H new ATOM 1590 N SER B 36 -1.352 -5.896 9.622 1.00 0.44 N ATOM 1591 CA SER B 36 -2.409 -6.317 10.587 1.00 0.51 C ATOM 1592 C SER B 36 -3.594 -5.338 10.580 1.00 0.51 C ATOM 1593 O SER B 36 -4.227 -5.135 11.597 1.00 0.58 O ATOM 1594 CB SER B 36 -1.811 -6.370 11.992 1.00 0.59 C ATOM 1595 OG SER B 36 -1.543 -5.047 12.438 1.00 1.41 O ATOM 0 H SER B 36 -0.470 -5.613 10.048 1.00 0.44 H new ATOM 0 HA SER B 36 -2.775 -7.300 10.289 1.00 0.51 H new ATOM 0 HB2 SER B 36 -2.502 -6.864 12.675 1.00 0.59 H new ATOM 0 HB3 SER B 36 -0.893 -6.958 11.987 1.00 0.59 H new ATOM 0 HG SER B 36 -1.161 -5.077 13.340 1.00 1.41 H new ATOM 1601 N GLN B 37 -3.913 -4.721 9.469 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.066 -3.765 9.472 1.00 0.47 C ATOM 1603 C GLN B 37 -5.694 -3.648 8.073 1.00 0.36 C ATOM 1604 O GLN B 37 -5.664 -2.587 7.487 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.570 -2.387 9.917 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.282 -2.034 9.168 1.00 0.78 C ATOM 1607 CD GLN B 37 -2.841 -0.620 9.545 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -3.223 -0.106 10.578 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -2.044 0.036 8.746 1.00 1.48 N ATOM 0 H GLN B 37 -3.436 -4.834 8.575 1.00 0.45 H new ATOM 0 HA GLN B 37 -5.825 -4.139 10.159 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.334 -1.634 9.721 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.389 -2.385 10.992 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.497 -2.749 9.416 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.445 -2.100 8.092 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -1.723 -0.395 7.879 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -1.742 0.980 8.989 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.270 -4.725 7.583 1.00 0.34 N ATOM 1619 CA PRO B 38 -6.931 -4.713 6.262 1.00 0.26 C ATOM 1620 C PRO B 38 -8.185 -3.828 6.340 1.00 0.25 C ATOM 1621 O PRO B 38 -8.525 -3.302 7.381 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.306 -6.190 5.996 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.012 -6.988 7.301 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.308 -6.026 8.286 1.00 0.43 C ATOM 0 HA PRO B 38 -6.302 -4.314 5.466 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.358 -6.276 5.723 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.727 -6.589 5.163 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -7.937 -7.370 7.733 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.379 -7.850 7.089 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -6.855 -5.952 9.226 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.304 -6.374 8.529 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.869 -3.669 5.247 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.098 -2.839 5.232 1.00 0.22 C ATOM 1634 C ALA B 39 -10.798 -3.057 3.894 1.00 0.19 C ATOM 1635 O ALA B 39 -10.231 -3.628 2.984 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.725 -1.362 5.380 1.00 0.23 C ATOM 0 H ALA B 39 -8.624 -4.086 4.349 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.754 -3.120 6.056 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.630 -0.755 5.369 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.200 -1.212 6.323 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.079 -1.065 4.554 1.00 0.23 H new ATOM 1642 N VAL B 40 -12.010 -2.592 3.748 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.716 -2.762 2.442 1.00 0.13 C ATOM 1644 C VAL B 40 -12.547 -1.465 1.657 1.00 0.13 C ATOM 1645 O VAL B 40 -12.527 -0.387 2.219 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.207 -3.049 2.684 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -15.001 -2.816 1.393 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.370 -4.508 3.112 1.00 0.16 C ATOM 0 H VAL B 40 -12.540 -2.105 4.471 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.299 -3.601 1.884 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.581 -2.383 3.462 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.056 -3.021 1.573 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.882 -1.780 1.075 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.630 -3.480 0.613 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.425 -4.720 3.286 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -13.993 -5.162 2.326 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.809 -4.683 4.030 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.405 -1.570 0.366 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.208 -0.355 -0.488 1.00 0.16 C ATOM 1660 C VAL B 41 -13.348 -0.260 -1.502 1.00 0.16 C ATOM 1661 O VAL B 41 -13.495 -1.097 -2.365 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.865 -0.483 -1.211 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.422 0.872 -1.758 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.811 -0.993 -0.223 1.00 0.23 C ATOM 0 H VAL B 41 -12.416 -2.453 -0.144 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.208 0.547 0.125 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.975 -1.181 -2.041 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.465 0.763 -2.269 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.169 1.242 -2.461 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.315 1.579 -0.935 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.851 -1.087 -0.731 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.717 -0.289 0.604 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.114 -1.967 0.162 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.167 0.753 -1.399 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.306 0.888 -2.352 1.00 0.17 C ATOM 1676 C PHE B 42 -14.864 1.658 -3.595 1.00 0.21 C ATOM 1677 O PHE B 42 -14.239 2.696 -3.511 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.455 1.653 -1.682 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.188 0.752 -0.713 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.866 -0.390 -1.184 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.206 1.060 0.661 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.556 -1.222 -0.284 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.898 0.230 1.560 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.573 -0.913 1.089 1.00 0.14 C ATOM 0 H PHE B 42 -14.097 1.491 -0.698 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.639 -0.110 -2.639 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -16.064 2.523 -1.155 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -17.146 2.023 -2.440 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.856 -0.627 -2.238 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.688 1.935 1.024 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -19.073 -2.098 -0.647 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.912 0.469 2.613 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.103 -1.551 1.780 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.216 1.164 -4.751 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.858 1.862 -6.018 1.00 0.28 C ATOM 1696 C GLN B 43 -16.069 2.710 -6.422 1.00 0.30 C ATOM 1697 O GLN B 43 -17.165 2.196 -6.556 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.548 0.815 -7.090 1.00 0.32 C ATOM 1699 CG GLN B 43 -13.278 0.053 -6.704 1.00 0.32 C ATOM 1700 CD GLN B 43 -13.016 -1.053 -7.727 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -13.575 -2.129 -7.634 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -12.186 -0.833 -8.709 1.00 1.31 N ATOM 0 H GLN B 43 -15.741 0.298 -4.872 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.981 2.497 -5.897 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -15.384 0.123 -7.191 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -14.416 1.298 -8.058 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.429 0.736 -6.665 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.387 -0.377 -5.708 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -11.717 0.069 -8.788 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -12.006 -1.563 -9.398 1.00 1.31 H new ATOM 1711 N THR B 44 -15.907 4.014 -6.564 1.00 0.32 N ATOM 1712 CA THR B 44 -17.097 4.879 -6.891 1.00 0.34 C ATOM 1713 C THR B 44 -17.168 5.221 -8.378 1.00 0.39 C ATOM 1714 O THR B 44 -16.627 4.535 -9.222 1.00 0.41 O ATOM 1715 CB THR B 44 -17.007 6.179 -6.095 1.00 0.34 C ATOM 1716 OG1 THR B 44 -16.137 7.076 -6.766 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.455 5.874 -4.703 1.00 0.29 C ATOM 0 H THR B 44 -15.019 4.508 -6.470 1.00 0.32 H new ATOM 0 HA THR B 44 -17.994 4.318 -6.628 1.00 0.34 H new ATOM 0 HB THR B 44 -17.995 6.631 -6.005 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.469 7.992 -6.663 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.388 6.798 -4.128 1.00 0.29 H new ATOM 0 HG22 THR B 44 -17.119 5.177 -4.193 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.464 5.430 -4.794 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.868 6.288 -8.691 1.00 0.43 N ATOM 1726 CA LYS B 45 -18.037 6.723 -10.111 1.00 0.48 C ATOM 1727 C LYS B 45 -17.305 8.050 -10.348 1.00 0.51 C ATOM 1728 O LYS B 45 -16.932 8.363 -11.462 1.00 0.56 O ATOM 1729 CB LYS B 45 -19.531 6.930 -10.395 1.00 0.50 C ATOM 1730 CG LYS B 45 -20.347 5.773 -9.812 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.832 6.011 -10.101 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.637 4.754 -9.762 1.00 0.54 C ATOM 1733 NZ LYS B 45 -24.079 5.109 -9.636 1.00 1.55 N ATOM 0 H LYS B 45 -18.336 6.884 -8.008 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.624 5.959 -10.769 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.863 7.873 -9.962 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.698 6.997 -11.470 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -20.026 4.828 -10.250 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -20.180 5.699 -8.737 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -22.195 6.855 -9.514 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.970 6.270 -11.151 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -22.503 4.002 -10.540 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -22.276 4.318 -8.831 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -24.602 4.301 -9.243 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -24.181 5.928 -9.004 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -24.461 5.346 -10.574 1.00 1.55 H new ATOM 1747 N ARG B 46 -17.110 8.840 -9.314 1.00 0.50 N ATOM 1748 CA ARG B 46 -16.415 10.162 -9.478 1.00 0.54 C ATOM 1749 C ARG B 46 -15.178 10.181 -8.577 1.00 0.49 C ATOM 1750 O ARG B 46 -14.911 11.128 -7.872 1.00 0.48 O ATOM 1751 CB ARG B 46 -17.388 11.293 -9.086 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.976 12.645 -9.719 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.880 13.350 -8.901 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.963 14.818 -9.142 1.00 1.48 N ATOM 1755 CZ ARG B 46 -15.340 15.646 -8.349 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -14.638 15.190 -7.349 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -15.419 16.932 -8.558 1.00 2.82 N ATOM 0 H ARG B 46 -17.403 8.625 -8.361 1.00 0.50 H new ATOM 0 HA ARG B 46 -16.105 10.308 -10.513 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -18.397 11.033 -9.407 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -17.414 11.392 -8.001 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.619 12.477 -10.735 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -17.849 13.293 -9.791 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -16.005 13.135 -7.840 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.897 12.976 -9.188 1.00 0.92 H new ATOM 0 HE ARG B 46 -16.507 15.176 -9.927 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -14.575 14.185 -7.186 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -14.151 15.838 -6.730 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -15.967 17.289 -9.341 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -14.932 17.580 -7.939 1.00 2.82 H new ATOM 1771 N SER B 47 -14.415 9.130 -8.610 1.00 0.46 N ATOM 1772 CA SER B 47 -13.187 9.066 -7.790 1.00 0.42 C ATOM 1773 C SER B 47 -12.395 7.852 -8.253 1.00 0.42 C ATOM 1774 O SER B 47 -12.067 7.718 -9.416 1.00 0.46 O ATOM 1775 CB SER B 47 -13.540 8.946 -6.300 1.00 0.38 C ATOM 1776 OG SER B 47 -14.017 7.637 -6.025 1.00 1.07 O ATOM 0 H SER B 47 -14.595 8.303 -9.179 1.00 0.46 H new ATOM 0 HA SER B 47 -12.597 9.975 -7.911 1.00 0.42 H new ATOM 0 HB2 SER B 47 -12.662 9.159 -5.690 1.00 0.38 H new ATOM 0 HB3 SER B 47 -14.298 9.683 -6.036 1.00 0.38 H new ATOM 0 HG SER B 47 -14.855 7.485 -6.510 1.00 1.07 H new ATOM 1782 N LYS B 48 -12.109 6.958 -7.368 1.00 0.38 N ATOM 1783 CA LYS B 48 -11.366 5.733 -7.756 1.00 0.40 C ATOM 1784 C LYS B 48 -11.571 4.691 -6.664 1.00 0.35 C ATOM 1785 O LYS B 48 -12.410 3.824 -6.779 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.857 6.025 -7.965 1.00 0.44 C ATOM 1787 CG LYS B 48 -9.394 7.226 -7.125 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.930 7.547 -7.463 1.00 1.38 C ATOM 1789 CE LYS B 48 -7.030 6.348 -7.129 1.00 2.13 C ATOM 1790 NZ LYS B 48 -5.641 6.828 -6.881 1.00 2.73 N ATOM 0 H LYS B 48 -12.358 7.018 -6.381 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.747 5.361 -8.707 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.274 5.144 -7.695 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -9.666 6.222 -9.020 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -10.025 8.092 -7.328 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.493 7.002 -6.063 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.840 7.794 -8.521 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -7.604 8.423 -6.902 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -7.410 5.828 -6.250 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -7.038 5.632 -7.951 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -5.029 6.018 -6.655 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -5.282 7.306 -7.732 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -5.642 7.495 -6.083 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.811 4.781 -5.602 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.933 3.808 -4.476 1.00 0.30 C ATOM 1806 C GLN B 49 -11.121 4.574 -3.158 1.00 0.25 C ATOM 1807 O GLN B 49 -10.563 5.638 -2.953 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.642 2.972 -4.417 1.00 0.35 C ATOM 1809 CG GLN B 49 -9.774 1.734 -5.311 1.00 0.82 C ATOM 1810 CD GLN B 49 -8.472 0.929 -5.267 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -8.450 -0.230 -5.627 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -7.380 1.500 -4.836 1.00 1.52 N ATOM 0 H GLN B 49 -10.100 5.500 -5.466 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.792 3.155 -4.629 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -8.794 3.575 -4.741 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -9.443 2.668 -3.389 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -10.607 1.117 -4.974 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -9.994 2.034 -6.336 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -7.399 2.474 -4.534 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -6.508 0.972 -4.802 1.00 1.52 H new ATOM 1821 N VAL B 50 -11.900 4.030 -2.258 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.132 4.700 -0.942 1.00 0.19 C ATOM 1823 C VAL B 50 -12.135 3.643 0.157 1.00 0.16 C ATOM 1824 O VAL B 50 -12.902 2.706 0.120 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.482 5.418 -0.961 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.605 6.305 0.281 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.580 6.275 -2.225 1.00 0.31 C ATOM 0 H VAL B 50 -12.389 3.143 -2.379 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.342 5.428 -0.756 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.289 4.686 -0.958 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.567 6.817 0.268 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.534 5.688 1.177 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.802 7.042 0.283 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.541 6.789 -2.243 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.775 7.010 -2.229 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.493 5.637 -3.105 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.286 3.788 1.133 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.232 2.786 2.230 1.00 0.15 C ATOM 1839 C CYS B 51 -12.458 2.941 3.128 1.00 0.14 C ATOM 1840 O CYS B 51 -13.012 4.014 3.261 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.963 3.014 3.049 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.514 2.788 1.988 1.00 0.21 S ATOM 0 H CYS B 51 -10.625 4.560 1.218 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.223 1.780 1.810 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.965 4.019 3.471 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.927 2.317 3.886 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.894 1.869 3.738 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.096 1.939 4.624 1.00 0.13 C ATOM 1849 C ALA B 52 -13.891 1.027 5.838 1.00 0.15 C ATOM 1850 O ALA B 52 -13.416 -0.087 5.719 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.327 1.467 3.847 1.00 0.11 C ATOM 0 H ALA B 52 -12.468 0.945 3.661 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.240 2.967 4.957 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.205 1.517 4.491 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.477 2.108 2.978 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.177 0.439 3.517 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.246 1.497 7.002 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.077 0.672 8.232 1.00 0.22 C ATOM 1859 C ASP B 53 -15.066 -0.523 8.194 1.00 0.21 C ATOM 1860 O ASP B 53 -16.259 -0.295 8.197 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.397 1.538 9.453 1.00 0.27 C ATOM 1862 CG ASP B 53 -13.693 2.890 9.318 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -13.887 3.536 8.303 1.00 2.10 O ATOM 1864 OD2 ASP B 53 -12.973 3.254 10.233 1.00 2.17 O ATOM 0 H ASP B 53 -14.648 2.422 7.155 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.054 0.300 8.287 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -15.474 1.684 9.537 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -14.071 1.036 10.364 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.583 -1.761 8.162 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.496 -2.925 8.129 1.00 0.24 C ATOM 1871 C PRO B 54 -16.359 -2.962 9.399 1.00 0.28 C ATOM 1872 O PRO B 54 -17.251 -3.775 9.531 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.569 -4.162 8.059 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.099 -3.653 8.082 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.141 -2.111 8.152 1.00 0.24 C ATOM 0 HA PRO B 54 -16.184 -2.886 7.284 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.756 -4.828 8.901 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.762 -4.734 7.151 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.566 -4.061 8.941 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.566 -3.982 7.190 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.640 -1.744 9.048 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.633 -1.664 7.297 1.00 0.24 H new ATOM 1883 N SER B 55 -16.087 -2.102 10.338 1.00 0.31 N ATOM 1884 CA SER B 55 -16.875 -2.104 11.603 1.00 0.36 C ATOM 1885 C SER B 55 -18.245 -1.457 11.376 1.00 0.36 C ATOM 1886 O SER B 55 -19.166 -1.657 12.143 1.00 0.40 O ATOM 1887 CB SER B 55 -16.116 -1.319 12.673 1.00 0.40 C ATOM 1888 OG SER B 55 -16.337 0.073 12.479 1.00 1.42 O ATOM 0 H SER B 55 -15.352 -1.396 10.286 1.00 0.31 H new ATOM 0 HA SER B 55 -17.019 -3.134 11.929 1.00 0.36 H new ATOM 0 HB2 SER B 55 -16.452 -1.617 13.666 1.00 0.40 H new ATOM 0 HB3 SER B 55 -15.050 -1.541 12.616 1.00 0.40 H new ATOM 0 HG SER B 55 -15.853 0.580 13.164 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.394 -0.685 10.334 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.713 -0.037 10.074 1.00 0.33 C ATOM 1896 C GLU B 56 -20.641 -1.039 9.376 1.00 0.33 C ATOM 1897 O GLU B 56 -20.351 -1.541 8.308 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.510 1.196 9.191 1.00 0.31 C ATOM 1899 CG GLU B 56 -19.029 2.374 10.044 1.00 0.35 C ATOM 1900 CD GLU B 56 -18.710 3.565 9.138 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -17.653 3.553 8.529 1.00 2.01 O ATOM 1902 OE2 GLU B 56 -19.528 4.468 9.071 1.00 2.08 O ATOM 0 H GLU B 56 -17.664 -0.475 9.654 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.165 0.272 11.016 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.781 0.979 8.410 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.444 1.454 8.692 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -19.796 2.650 10.768 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.143 2.088 10.611 1.00 0.35 H new ATOM 1909 N SER B 57 -21.745 -1.341 9.993 1.00 0.37 N ATOM 1910 CA SER B 57 -22.707 -2.320 9.412 1.00 0.38 C ATOM 1911 C SER B 57 -23.033 -1.997 7.949 1.00 0.35 C ATOM 1912 O SER B 57 -23.158 -2.887 7.132 1.00 0.34 O ATOM 1913 CB SER B 57 -24.000 -2.298 10.228 1.00 0.44 C ATOM 1914 OG SER B 57 -23.745 -2.815 11.527 1.00 1.37 O ATOM 0 H SER B 57 -22.028 -0.946 10.890 1.00 0.37 H new ATOM 0 HA SER B 57 -22.245 -3.307 9.446 1.00 0.38 H new ATOM 0 HB2 SER B 57 -24.382 -1.280 10.298 1.00 0.44 H new ATOM 0 HB3 SER B 57 -24.767 -2.893 9.732 1.00 0.44 H new ATOM 0 HG SER B 57 -24.572 -2.801 12.053 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.199 -0.748 7.606 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.546 -0.426 6.193 1.00 0.32 C ATOM 1922 C TRP B 58 -22.437 -0.917 5.266 1.00 0.27 C ATOM 1923 O TRP B 58 -22.678 -1.266 4.130 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.792 1.082 6.026 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.510 1.851 5.970 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -22.019 2.596 6.984 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.576 1.999 4.859 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.840 3.189 6.574 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.518 2.850 5.278 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.535 1.480 3.543 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.457 3.179 4.424 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.467 1.809 2.678 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.431 2.656 3.121 1.00 0.26 C ATOM 0 H TRP B 58 -23.111 0.052 8.233 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.470 -0.938 5.925 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.362 1.259 5.114 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.398 1.446 6.856 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.474 2.710 7.957 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.276 3.804 7.161 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.324 0.829 3.198 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.665 3.830 4.765 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.444 1.410 1.675 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.616 2.903 2.457 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.230 -0.979 5.745 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.128 -1.478 4.881 1.00 0.20 C ATOM 1946 C VAL B 59 -20.360 -2.960 4.615 1.00 0.22 C ATOM 1947 O VAL B 59 -20.286 -3.420 3.494 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.794 -1.279 5.597 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.654 -1.849 4.747 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.579 0.218 5.819 1.00 0.19 C ATOM 0 H VAL B 59 -20.959 -0.708 6.690 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.106 -0.932 3.938 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.806 -1.799 6.555 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.706 -1.703 5.265 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.819 -2.914 4.585 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.625 -1.336 3.786 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.629 0.377 6.330 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.564 0.730 4.857 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.390 0.616 6.429 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.657 -3.707 5.637 1.00 0.25 N ATOM 1961 CA GLN B 60 -20.914 -5.160 5.439 1.00 0.28 C ATOM 1962 C GLN B 60 -22.170 -5.339 4.581 1.00 0.30 C ATOM 1963 O GLN B 60 -22.247 -6.222 3.749 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.122 -5.833 6.798 1.00 0.33 C ATOM 1965 CG GLN B 60 -19.893 -5.599 7.678 1.00 1.25 C ATOM 1966 CD GLN B 60 -20.159 -6.146 9.081 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -20.609 -7.265 9.234 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -19.899 -5.401 10.121 1.00 2.14 N ATOM 0 H GLN B 60 -20.733 -3.377 6.599 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.061 -5.617 4.937 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -22.011 -5.430 7.283 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -21.288 -6.902 6.664 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -19.022 -6.090 7.243 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -19.666 -4.534 7.728 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -19.521 -4.462 9.994 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -20.073 -5.758 11.060 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.156 -4.507 4.781 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.413 -4.622 3.986 1.00 0.33 C ATOM 1979 C GLU B 61 -24.130 -4.330 2.510 1.00 0.31 C ATOM 1980 O GLU B 61 -24.541 -5.063 1.632 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.443 -3.619 4.513 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.827 -3.971 3.964 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.870 -3.024 4.562 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -27.690 -1.823 4.439 1.00 1.99 O ATOM 1985 OE2 GLU B 61 -28.830 -3.515 5.133 1.00 2.03 O ATOM 0 H GLU B 61 -23.145 -3.749 5.464 1.00 0.31 H new ATOM 0 HA GLU B 61 -24.803 -5.635 4.082 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.458 -3.636 5.603 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.168 -2.608 4.213 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -26.829 -3.892 2.877 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -27.075 -5.004 4.209 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.433 -3.265 2.231 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.126 -2.923 0.811 1.00 0.28 C ATOM 1994 C TYR B 62 -22.298 -4.046 0.184 1.00 0.28 C ATOM 1995 O TYR B 62 -22.445 -4.359 -0.981 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.340 -1.601 0.756 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.284 -0.412 0.824 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.280 -0.337 1.820 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.156 0.633 -0.117 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.144 0.774 1.872 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -24.021 1.742 -0.062 1.00 0.29 C ATOM 2002 CZ TYR B 62 -25.014 1.813 0.931 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.861 2.901 0.983 1.00 0.34 O ATOM 0 H TYR B 62 -23.062 -2.615 2.924 1.00 0.28 H new ATOM 0 HA TYR B 62 -24.056 -2.808 0.255 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.633 -1.558 1.584 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.757 -1.557 -0.164 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.380 -1.132 2.544 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.393 0.581 -0.880 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.907 0.829 2.634 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.922 2.540 -0.783 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.635 3.526 0.263 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.440 -4.665 0.945 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.622 -5.772 0.387 1.00 0.28 C ATOM 2015 C VAL B 63 -21.559 -6.915 0.027 1.00 0.32 C ATOM 2016 O VAL B 63 -21.427 -7.548 -1.000 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.608 -6.235 1.436 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.939 -7.535 0.979 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.540 -5.153 1.620 1.00 0.25 C ATOM 0 H VAL B 63 -21.271 -4.451 1.928 1.00 0.27 H new ATOM 0 HA VAL B 63 -20.080 -5.440 -0.499 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.124 -6.410 2.380 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.219 -7.858 1.731 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.697 -8.307 0.847 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.425 -7.366 0.033 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.816 -5.480 2.367 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -18.031 -4.980 0.672 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -19.012 -4.229 1.952 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.513 -7.176 0.873 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.471 -8.272 0.595 1.00 0.38 C ATOM 2031 C TYR B 64 -24.259 -7.937 -0.669 1.00 0.39 C ATOM 2032 O TYR B 64 -24.474 -8.771 -1.525 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.434 -8.412 1.779 1.00 0.41 C ATOM 2034 CG TYR B 64 -25.109 -9.766 1.733 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.369 -10.930 2.023 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.474 -9.865 1.399 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -24.995 -12.191 1.982 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -27.100 -11.125 1.358 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.360 -12.288 1.649 1.00 0.55 C ATOM 2040 OH TYR B 64 -26.974 -13.524 1.607 1.00 0.60 O ATOM 0 H TYR B 64 -22.669 -6.674 1.747 1.00 0.34 H new ATOM 0 HA TYR B 64 -22.933 -9.209 0.452 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -23.891 -8.298 2.717 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.183 -7.621 1.746 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.322 -10.855 2.277 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -27.041 -8.973 1.174 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.429 -13.083 2.206 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -28.147 -11.200 1.104 1.00 0.54 H new ATOM 0 HH TYR B 64 -27.916 -13.413 1.362 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.690 -6.716 -0.785 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.471 -6.304 -1.985 1.00 0.37 C ATOM 2052 C ASP B 65 -24.612 -6.489 -3.239 1.00 0.37 C ATOM 2053 O ASP B 65 -25.103 -6.827 -4.298 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.864 -4.830 -1.841 1.00 0.35 C ATOM 2055 CG ASP B 65 -27.074 -4.704 -0.912 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -27.262 -5.589 -0.094 1.00 1.15 O ATOM 2057 OD2 ASP B 65 -27.792 -3.726 -1.035 1.00 1.11 O ATOM 0 H ASP B 65 -24.535 -5.979 -0.097 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.369 -6.916 -2.072 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -25.026 -4.258 -1.442 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -26.099 -4.410 -2.819 1.00 0.35 H new ATOM 2062 N LEU B 66 -23.335 -6.271 -3.123 1.00 0.33 N ATOM 2063 CA LEU B 66 -22.434 -6.432 -4.298 1.00 0.34 C ATOM 2064 C LEU B 66 -22.284 -7.921 -4.623 1.00 0.39 C ATOM 2065 O LEU B 66 -22.097 -8.302 -5.761 1.00 0.42 O ATOM 2066 CB LEU B 66 -21.067 -5.826 -3.954 1.00 0.31 C ATOM 2067 CG LEU B 66 -21.105 -4.291 -4.134 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.997 -3.644 -3.302 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.881 -3.922 -5.611 1.00 0.30 C ATOM 0 H LEU B 66 -22.872 -5.986 -2.260 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.851 -5.923 -5.167 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.799 -6.073 -2.927 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -20.298 -6.256 -4.596 1.00 0.31 H new ATOM 0 HG LEU B 66 -22.081 -3.931 -3.808 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -20.028 -2.562 -3.433 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -20.143 -3.887 -2.250 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -19.028 -4.021 -3.630 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.910 -2.838 -5.724 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.910 -4.295 -5.936 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.664 -4.371 -6.221 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.373 -8.763 -3.634 1.00 0.40 N ATOM 2082 CA GLU B 67 -22.246 -10.227 -3.888 1.00 0.45 C ATOM 2083 C GLU B 67 -23.516 -10.724 -4.576 1.00 0.50 C ATOM 2084 O GLU B 67 -23.495 -11.668 -5.340 1.00 0.55 O ATOM 2085 CB GLU B 67 -22.074 -10.963 -2.558 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.689 -10.669 -1.990 1.00 0.44 C ATOM 2087 CD GLU B 67 -20.435 -11.560 -0.772 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -20.875 -12.697 -0.793 1.00 1.81 O ATOM 2089 OE2 GLU B 67 -19.806 -11.088 0.161 1.00 1.88 O ATOM 0 H GLU B 67 -22.528 -8.503 -2.660 1.00 0.40 H new ATOM 0 HA GLU B 67 -21.380 -10.416 -4.523 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.843 -10.647 -1.853 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -22.198 -12.036 -2.705 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -19.928 -10.848 -2.749 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.616 -9.619 -1.707 1.00 0.44 H new ATOM 2096 N LEU B 68 -24.621 -10.087 -4.310 1.00 0.49 N ATOM 2097 CA LEU B 68 -25.900 -10.512 -4.948 1.00 0.54 C ATOM 2098 C LEU B 68 -25.940 -10.011 -6.393 1.00 0.56 C ATOM 2099 O LEU B 68 -25.297 -10.557 -7.267 1.00 0.62 O ATOM 2100 CB LEU B 68 -27.080 -9.925 -4.179 1.00 0.55 C ATOM 2101 CG LEU B 68 -27.089 -10.465 -2.745 1.00 0.55 C ATOM 2102 CD1 LEU B 68 -28.224 -9.791 -1.982 1.00 0.56 C ATOM 2103 CD2 LEU B 68 -27.302 -11.993 -2.746 1.00 0.61 C ATOM 0 H LEU B 68 -24.695 -9.290 -3.678 1.00 0.49 H new ATOM 0 HA LEU B 68 -25.964 -11.600 -4.934 1.00 0.54 H new ATOM 0 HB2 LEU B 68 -27.012 -8.837 -4.167 1.00 0.55 H new ATOM 0 HB3 LEU B 68 -28.014 -10.181 -4.679 1.00 0.55 H new ATOM 0 HG LEU B 68 -26.132 -10.251 -2.269 1.00 0.55 H new ATOM 0 HD11 LEU B 68 -28.246 -10.164 -0.958 1.00 0.56 H new ATOM 0 HD12 LEU B 68 -28.066 -8.713 -1.972 1.00 0.56 H new ATOM 0 HD13 LEU B 68 -29.173 -10.014 -2.469 1.00 0.56 H new ATOM 0 HD21 LEU B 68 -27.306 -12.361 -1.720 1.00 0.61 H new ATOM 0 HD22 LEU B 68 -28.256 -12.227 -3.219 1.00 0.61 H new ATOM 0 HD23 LEU B 68 -26.495 -12.472 -3.300 1.00 0.61 H new ATOM 2115 N ASN B 69 -26.692 -8.973 -6.651 1.00 0.61 N ATOM 2116 CA ASN B 69 -26.776 -8.433 -8.039 1.00 0.64 C ATOM 2117 C ASN B 69 -25.680 -7.387 -8.249 1.00 0.70 C ATOM 2118 O ASN B 69 -25.640 -6.806 -9.321 1.00 1.15 O ATOM 2119 CB ASN B 69 -28.146 -7.781 -8.248 1.00 0.82 C ATOM 2120 CG ASN B 69 -28.378 -6.725 -7.165 1.00 1.67 C ATOM 2121 OD1 ASN B 69 -27.905 -5.612 -7.274 1.00 2.45 O ATOM 2122 ND2 ASN B 69 -29.094 -7.030 -6.117 1.00 2.41 N ATOM 2123 OXT ASN B 69 -24.900 -7.184 -7.334 1.00 1.44 O ATOM 0 H ASN B 69 -27.252 -8.476 -5.959 1.00 0.61 H new ATOM 0 HA ASN B 69 -26.644 -9.246 -8.753 1.00 0.64 H new ATOM 0 HB2 ASN B 69 -28.195 -7.322 -9.235 1.00 0.82 H new ATOM 0 HB3 ASN B 69 -28.930 -8.537 -8.208 1.00 0.82 H new ATOM 0 HD21 ASN B 69 -29.256 -6.333 -5.390 1.00 2.41 H new ATOM 0 HD22 ASN B 69 -29.491 -7.965 -6.025 1.00 2.41 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.725 1.662 5.620 1.00 0.36 O HETATM 2134 O HOH A 202 4.130 5.597 6.211 1.00 0.70 O HETATM 2137 O HOH B 301 -6.324 -1.374 5.488 1.00 0.35 O HETATM 2140 O HOH B 302 -4.253 -5.456 6.280 1.00 1.65 O