USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ 133:sc= -3.51! (180deg=-3.99!) USER MOD Set 1.2: A 71 GLN : amide:sc= -2.14! K(o=-5.6!,f=-0.55) USER MOD Set 2.1: A 3 CYS SG : rot -100:sc= -12.2! USER MOD Set 2.2: A 16 CYS SG : rot 115:sc= -5.36! USER MOD Set 2.3: A 23 CYS SG : rot -87:sc= -12.2! USER MOD Set 2.4: A 44 CYS SG : rot -75:sc= -12.6! USER MOD Set 2.5: A 60 CYS SG : rot -44:sc= -21.6! USER MOD Set 2.6: A 62 THR OG1 : rot 55:sc= -1.75! USER MOD Set 2.7: A 65 CYS SG : rot 17:sc= -26.7! USER MOD Set 2.8: A 66 ASN : amide:sc= -11.3! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -43:sc= 0.291! USER MOD Set 3.2: A 59 CYS SG : rot 132:sc= -8.99! USER MOD Set 4.1: A 29 CYS SG : rot -135:sc= -3.62! USER MOD Set 4.2: A 33 CYS SG : rot -47:sc= 1.5! USER MOD Set 4.3: A 38 LYS NZ :NH3+ -125:sc= 1.22 (180deg=-0.239) USER MOD Set 5.1: A 5 THR OG1 : rot -27:sc= 1.25 USER MOD Set 5.2: A 8 THR OG1 : rot 79:sc= -1.44 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 1 ILE N :NH3+ -123:sc= -0.184 (180deg=-0.529) USER MOD Single : A 4 HIS : no HD1:sc= -13.9! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -75:sc= -2.9 USER MOD Single : A 12 SER OG : rot 180:sc= -0.795 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 21 ASN : amide:sc= -5.66! K(o=-5.7!,f=-1.9) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 145:sc= -1.31 (180deg=-1.62!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 48:sc= 1.16 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -1.02 (180deg=-1.38) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 73:sc= -0.208 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -37.6! C(o=-38!,f=-44!) USER MOD Single : B 1 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.048) USER MOD Single : B 1 HIS N :NH3+ -161:sc= -12! (180deg=-13!) USER MOD Single : B 3 TYR OH : rot 56:sc= 0.153 USER MOD Single : B 4 TYR OH : rot -114:sc= -0.369 USER MOD Single : B 6 SER OG : rot -16:sc= -0.34 USER MOD Single : B 7 SER OG : rot 67:sc= -10.6! USER MOD Single : B 12 TYR OH : rot 130:sc= -1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -6.040 6.531 12.321 1.00 0.00 N ATOM 2 CA ILE A 1 -6.600 6.682 10.990 1.00 0.00 C ATOM 3 C ILE A 1 -6.895 5.299 10.404 1.00 0.00 C ATOM 4 O ILE A 1 -6.858 4.299 11.119 1.00 0.00 O ATOM 5 CB ILE A 1 -5.680 7.535 10.115 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.311 6.873 9.948 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.564 8.958 10.665 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.546 7.481 8.770 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.626 7.051 13.005 1.00 0.00 H new ATOM 0 H2 ILE A 1 -6.021 5.523 12.577 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.072 6.911 12.335 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.548 7.219 11.035 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.125 7.608 9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.731 6.993 10.863 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.438 5.802 9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.904 9.543 10.024 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.551 9.420 10.689 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.154 8.926 11.675 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.577 6.992 8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.117 7.338 7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.399 8.547 8.943 1.00 0.00 H new ATOM 20 N VAL A 2 -7.179 5.287 9.111 1.00 0.00 N ATOM 21 CA VAL A 2 -7.481 4.043 8.422 1.00 0.00 C ATOM 22 C VAL A 2 -6.575 3.912 7.195 1.00 0.00 C ATOM 23 O VAL A 2 -6.091 4.913 6.667 1.00 0.00 O ATOM 24 CB VAL A 2 -8.970 3.985 8.074 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.403 2.551 7.759 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.819 4.580 9.200 1.00 0.00 C ATOM 0 H VAL A 2 -7.207 6.119 8.521 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.279 3.189 9.069 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.130 4.587 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.465 2.537 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.831 2.176 6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.222 1.917 8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.873 4.527 8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.652 4.017 10.118 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.537 5.621 9.357 1.00 0.00 H new ATOM 36 N CYS A 3 -6.373 2.671 6.779 1.00 0.00 N ATOM 37 CA CYS A 3 -5.533 2.396 5.625 1.00 0.00 C ATOM 38 C CYS A 3 -6.120 1.196 4.880 1.00 0.00 C ATOM 39 O CYS A 3 -6.726 0.317 5.490 1.00 0.00 O ATOM 40 CB CYS A 3 -4.076 2.162 6.029 1.00 0.00 C ATOM 41 SG CYS A 3 -3.670 3.151 7.513 1.00 0.00 S ATOM 0 H CYS A 3 -6.776 1.844 7.220 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.522 3.263 4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.912 1.104 6.231 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.414 2.436 5.207 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.037 4.229 7.156 1.00 0.00 H new ATOM 47 N HIS A 4 -5.919 1.197 3.570 1.00 0.00 N ATOM 48 CA HIS A 4 -6.419 0.119 2.734 1.00 0.00 C ATOM 49 C HIS A 4 -5.424 -1.043 2.744 1.00 0.00 C ATOM 50 O HIS A 4 -4.216 -0.829 2.821 1.00 0.00 O ATOM 51 CB HIS A 4 -6.729 0.623 1.324 1.00 0.00 C ATOM 52 CG HIS A 4 -7.373 1.989 1.287 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.621 2.244 1.831 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.931 3.170 0.768 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.906 3.523 1.641 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.858 4.095 0.981 1.00 0.00 N ATOM 0 H HIS A 4 -5.416 1.928 3.067 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.361 -0.252 3.139 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.804 0.653 0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.388 -0.091 0.831 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.986 3.326 0.268 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.810 4.025 1.954 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.797 5.073 0.698 1.00 0.00 H new ATOM 65 N THR A 5 -5.969 -2.248 2.663 1.00 0.00 N ATOM 66 CA THR A 5 -5.144 -3.445 2.662 1.00 0.00 C ATOM 67 C THR A 5 -5.212 -4.137 1.300 1.00 0.00 C ATOM 68 O THR A 5 -6.272 -4.610 0.893 1.00 0.00 O ATOM 69 CB THR A 5 -5.601 -4.333 3.821 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.633 -5.136 3.256 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.305 -3.543 4.924 1.00 0.00 C ATOM 0 H THR A 5 -6.972 -2.421 2.598 1.00 0.00 H new ATOM 0 HA THR A 5 -4.092 -3.203 2.815 1.00 0.00 H new ATOM 0 HB THR A 5 -4.739 -4.852 4.241 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.053 -4.654 2.513 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.608 -4.222 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.624 -2.793 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.186 -3.050 4.513 1.00 0.00 H new ATOM 79 N THR A 6 -4.069 -4.176 0.634 1.00 0.00 N ATOM 80 CA THR A 6 -3.985 -4.803 -0.675 1.00 0.00 C ATOM 81 C THR A 6 -3.311 -6.172 -0.567 1.00 0.00 C ATOM 82 O THR A 6 -3.427 -6.998 -1.472 1.00 0.00 O ATOM 83 CB THR A 6 -3.257 -3.840 -1.615 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.820 -2.785 -0.762 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.207 -3.154 -2.599 1.00 0.00 C ATOM 0 H THR A 6 -3.192 -3.784 0.976 1.00 0.00 H new ATOM 0 HA THR A 6 -4.976 -4.994 -1.087 1.00 0.00 H new ATOM 0 HB THR A 6 -2.490 -4.383 -2.168 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.583 -2.217 -0.527 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.640 -2.481 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.705 -3.907 -3.210 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.954 -2.584 -2.046 1.00 0.00 H new ATOM 93 N ALA A 7 -2.621 -6.371 0.546 1.00 0.00 N ATOM 94 CA ALA A 7 -1.929 -7.626 0.784 1.00 0.00 C ATOM 95 C ALA A 7 -2.908 -8.640 1.379 1.00 0.00 C ATOM 96 O ALA A 7 -3.001 -9.771 0.904 1.00 0.00 O ATOM 97 CB ALA A 7 -0.721 -7.380 1.691 1.00 0.00 C ATOM 0 H ALA A 7 -2.526 -5.684 1.294 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.555 -8.040 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.202 -8.322 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.042 -6.677 1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.058 -6.966 2.641 1.00 0.00 H new ATOM 103 N THR A 8 -3.613 -8.198 2.409 1.00 0.00 N ATOM 104 CA THR A 8 -4.583 -9.053 3.075 1.00 0.00 C ATOM 105 C THR A 8 -5.835 -9.211 2.211 1.00 0.00 C ATOM 106 O THR A 8 -5.828 -9.953 1.230 1.00 0.00 O ATOM 107 CB THR A 8 -4.867 -8.458 4.455 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.732 -7.053 4.263 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.780 -8.802 5.476 1.00 0.00 C ATOM 0 H THR A 8 -3.533 -7.259 2.800 1.00 0.00 H new ATOM 0 HA THR A 8 -4.193 -10.061 3.214 1.00 0.00 H new ATOM 0 HB THR A 8 -5.830 -8.820 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.544 -6.701 3.842 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.030 -8.355 6.438 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.712 -9.884 5.585 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.822 -8.411 5.133 1.00 0.00 H new ATOM 117 N SER A 9 -6.881 -8.502 2.607 1.00 0.00 N ATOM 118 CA SER A 9 -8.140 -8.556 1.883 1.00 0.00 C ATOM 119 C SER A 9 -7.953 -7.999 0.469 1.00 0.00 C ATOM 120 O SER A 9 -6.829 -7.910 -0.022 1.00 0.00 O ATOM 121 CB SER A 9 -9.232 -7.778 2.619 1.00 0.00 C ATOM 122 OG SER A 9 -8.965 -7.673 4.014 1.00 0.00 O ATOM 0 H SER A 9 -6.883 -7.887 3.420 1.00 0.00 H new ATOM 0 HA SER A 9 -8.454 -9.598 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.317 -6.780 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.192 -8.272 2.470 1.00 0.00 H new ATOM 0 HG SER A 9 -9.684 -7.168 4.448 1.00 0.00 H new ATOM 128 N PRO A 10 -9.101 -7.633 -0.160 1.00 0.00 N ATOM 129 CA PRO A 10 -9.075 -7.087 -1.506 1.00 0.00 C ATOM 130 C PRO A 10 -8.572 -5.643 -1.504 1.00 0.00 C ATOM 131 O PRO A 10 -7.620 -5.311 -2.208 1.00 0.00 O ATOM 132 CB PRO A 10 -10.504 -7.218 -2.012 1.00 0.00 C ATOM 133 CG PRO A 10 -11.368 -7.399 -0.775 1.00 0.00 C ATOM 134 CD PRO A 10 -10.449 -7.724 0.393 1.00 0.00 C ATOM 0 HA PRO A 10 -8.384 -7.618 -2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.803 -6.332 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.603 -8.069 -2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.938 -6.492 -0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.090 -8.202 -0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.588 -7.021 1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.648 -8.720 0.789 1.00 0.00 H new ATOM 142 N ILE A 11 -9.236 -4.820 -0.704 1.00 0.00 N ATOM 143 CA ILE A 11 -8.868 -3.418 -0.601 1.00 0.00 C ATOM 144 C ILE A 11 -9.990 -2.652 0.102 1.00 0.00 C ATOM 145 O ILE A 11 -11.020 -2.357 -0.502 1.00 0.00 O ATOM 146 CB ILE A 11 -8.509 -2.855 -1.978 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.006 -2.595 -2.088 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.332 -1.604 -2.290 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.644 -2.051 -3.471 1.00 0.00 C ATOM 0 H ILE A 11 -10.026 -5.098 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.971 -3.303 0.008 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.762 -3.602 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.699 -1.883 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.459 -3.519 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.057 -1.224 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.393 -1.855 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.133 -0.841 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.570 -1.875 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.930 -2.776 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.174 -1.114 -3.644 1.00 0.00 H new ATOM 161 N SER A 12 -9.752 -2.351 1.371 1.00 0.00 N ATOM 162 CA SER A 12 -10.731 -1.624 2.163 1.00 0.00 C ATOM 163 C SER A 12 -10.031 -0.870 3.295 1.00 0.00 C ATOM 164 O SER A 12 -9.110 -1.396 3.920 1.00 0.00 O ATOM 165 CB SER A 12 -11.790 -2.571 2.733 1.00 0.00 C ATOM 166 OG SER A 12 -11.282 -3.357 3.808 1.00 0.00 O ATOM 0 H SER A 12 -8.897 -2.597 1.870 1.00 0.00 H new ATOM 0 HA SER A 12 -11.234 -0.908 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.645 -1.991 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.151 -3.229 1.942 1.00 0.00 H new ATOM 0 HG SER A 12 -11.989 -3.946 4.145 1.00 0.00 H new ATOM 172 N ALA A 13 -10.494 0.351 3.525 1.00 0.00 N ATOM 173 CA ALA A 13 -9.923 1.182 4.570 1.00 0.00 C ATOM 174 C ALA A 13 -10.434 0.708 5.931 1.00 0.00 C ATOM 175 O ALA A 13 -11.553 1.037 6.326 1.00 0.00 O ATOM 176 CB ALA A 13 -10.264 2.649 4.298 1.00 0.00 C ATOM 0 H ALA A 13 -11.258 0.784 3.005 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.837 1.095 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.836 3.274 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.853 2.945 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.347 2.775 4.285 1.00 0.00 H new ATOM 182 N VAL A 14 -9.594 -0.057 6.611 1.00 0.00 N ATOM 183 CA VAL A 14 -9.947 -0.581 7.919 1.00 0.00 C ATOM 184 C VAL A 14 -8.838 -0.242 8.916 1.00 0.00 C ATOM 185 O VAL A 14 -7.668 -0.532 8.672 1.00 0.00 O ATOM 186 CB VAL A 14 -10.226 -2.083 7.823 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.780 -2.452 6.446 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.971 -2.895 8.144 1.00 0.00 C ATOM 0 H VAL A 14 -8.668 -0.327 6.280 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.864 -0.116 8.282 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.984 -2.330 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.969 -3.525 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.711 -1.912 6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.055 -2.182 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.197 -3.959 8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.182 -2.640 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.638 -2.666 9.156 1.00 0.00 H new ATOM 198 N THR A 15 -9.245 0.369 10.019 1.00 0.00 N ATOM 199 CA THR A 15 -8.300 0.752 11.055 1.00 0.00 C ATOM 200 C THR A 15 -7.362 -0.413 11.379 1.00 0.00 C ATOM 201 O THR A 15 -7.783 -1.569 11.384 1.00 0.00 O ATOM 202 CB THR A 15 -9.097 1.245 12.263 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.094 2.093 11.700 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.281 2.175 13.163 1.00 0.00 C ATOM 0 H THR A 15 -10.216 0.608 10.218 1.00 0.00 H new ATOM 0 HA THR A 15 -7.654 1.564 10.721 1.00 0.00 H new ATOM 0 HB THR A 15 -9.442 0.389 12.843 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.658 2.455 12.415 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.894 2.496 14.005 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.404 1.645 13.534 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.963 3.047 12.592 1.00 0.00 H new ATOM 212 N CYS A 16 -6.110 -0.068 11.640 1.00 0.00 N ATOM 213 CA CYS A 16 -5.110 -1.072 11.963 1.00 0.00 C ATOM 214 C CYS A 16 -4.959 -1.126 13.484 1.00 0.00 C ATOM 215 O CYS A 16 -5.612 -0.372 14.204 1.00 0.00 O ATOM 216 CB CYS A 16 -3.777 -0.786 11.266 1.00 0.00 C ATOM 217 SG CYS A 16 -3.362 -2.156 10.126 1.00 0.00 S ATOM 0 H CYS A 16 -5.765 0.892 11.635 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.435 -2.046 11.596 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.840 0.152 10.714 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.987 -0.667 12.008 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.363 -1.717 8.902 1.00 0.00 H new ATOM 223 N PRO A 17 -4.070 -2.048 13.942 1.00 0.00 N ATOM 224 CA PRO A 17 -3.823 -2.210 15.364 1.00 0.00 C ATOM 225 C PRO A 17 -2.968 -1.065 15.908 1.00 0.00 C ATOM 226 O PRO A 17 -2.671 -0.112 15.189 1.00 0.00 O ATOM 227 CB PRO A 17 -3.153 -3.568 15.496 1.00 0.00 C ATOM 228 CG PRO A 17 -2.628 -3.909 14.110 1.00 0.00 C ATOM 229 CD PRO A 17 -3.278 -2.957 13.118 1.00 0.00 C ATOM 0 HA PRO A 17 -4.738 -2.174 15.955 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.342 -3.535 16.224 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.861 -4.321 15.842 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.543 -3.811 14.078 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.862 -4.943 13.857 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.529 -2.416 12.539 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.905 -3.494 12.406 1.00 0.00 H new ATOM 237 N PRO A 18 -2.582 -1.200 17.204 1.00 0.00 N ATOM 238 CA PRO A 18 -1.765 -0.188 17.852 1.00 0.00 C ATOM 239 C PRO A 18 -0.312 -0.269 17.376 1.00 0.00 C ATOM 240 O PRO A 18 0.372 -1.260 17.626 1.00 0.00 O ATOM 241 CB PRO A 18 -1.918 -0.453 19.340 1.00 0.00 C ATOM 242 CG PRO A 18 -2.435 -1.877 19.460 1.00 0.00 C ATOM 243 CD PRO A 18 -2.914 -2.315 18.086 1.00 0.00 C ATOM 0 HA PRO A 18 -2.079 0.827 17.607 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.965 -0.339 19.857 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.613 0.254 19.793 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.648 -2.540 19.819 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.249 -1.928 20.183 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.419 -3.232 17.768 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.986 -2.515 18.085 1.00 0.00 H new ATOM 251 N GLY A 19 0.114 0.787 16.700 1.00 0.00 N ATOM 252 CA GLY A 19 1.473 0.848 16.187 1.00 0.00 C ATOM 253 C GLY A 19 1.553 1.750 14.954 1.00 0.00 C ATOM 254 O GLY A 19 2.327 2.706 14.928 1.00 0.00 O ATOM 0 H GLY A 19 -0.457 1.607 16.495 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.141 1.224 16.961 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.814 -0.155 15.931 1.00 0.00 H new ATOM 258 N GLU A 20 0.743 1.414 13.960 1.00 0.00 N ATOM 259 CA GLU A 20 0.713 2.181 12.728 1.00 0.00 C ATOM 260 C GLU A 20 0.153 3.582 12.987 1.00 0.00 C ATOM 261 O GLU A 20 -1.054 3.749 13.159 1.00 0.00 O ATOM 262 CB GLU A 20 -0.098 1.458 11.650 1.00 0.00 C ATOM 263 CG GLU A 20 0.492 0.077 11.355 1.00 0.00 C ATOM 264 CD GLU A 20 -0.110 -0.985 12.278 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.027 -2.188 12.012 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.740 -0.521 13.305 1.00 0.00 O ATOM 0 H GLU A 20 0.103 0.620 13.984 1.00 0.00 H new ATOM 0 HA GLU A 20 1.735 2.281 12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.133 1.353 11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.111 2.055 10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.301 -0.189 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.574 0.105 11.484 1.00 0.00 H new ATOM 274 N ASN A 21 1.055 4.552 13.005 1.00 0.00 N ATOM 275 CA ASN A 21 0.667 5.931 13.240 1.00 0.00 C ATOM 276 C ASN A 21 0.222 6.564 11.921 1.00 0.00 C ATOM 277 O ASN A 21 -0.057 7.761 11.865 1.00 0.00 O ATOM 278 CB ASN A 21 1.838 6.749 13.785 1.00 0.00 C ATOM 279 CG ASN A 21 2.564 5.992 14.901 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.703 6.274 15.238 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.844 5.019 15.450 1.00 0.00 N ATOM 0 H ASN A 21 2.055 4.409 12.860 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.143 5.932 13.969 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.536 6.973 12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.474 7.703 14.165 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.239 4.454 16.202 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.896 4.837 15.119 1.00 0.00 H new ATOM 288 N LEU A 22 0.170 5.732 10.891 1.00 0.00 N ATOM 289 CA LEU A 22 -0.237 6.196 9.574 1.00 0.00 C ATOM 290 C LEU A 22 -0.374 4.995 8.637 1.00 0.00 C ATOM 291 O LEU A 22 -0.313 3.848 9.076 1.00 0.00 O ATOM 292 CB LEU A 22 0.728 7.268 9.064 1.00 0.00 C ATOM 293 CG LEU A 22 2.138 6.790 8.712 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.428 6.990 7.223 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.184 7.470 9.597 1.00 0.00 C ATOM 0 H LEU A 22 0.403 4.740 10.941 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.214 6.676 9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.291 7.730 8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.809 8.046 9.823 1.00 0.00 H new ATOM 0 HG LEU A 22 2.196 5.720 8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.436 6.642 6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.709 6.422 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.346 8.048 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.178 7.113 9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.135 8.549 9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.986 7.233 10.642 1.00 0.00 H new ATOM 307 N CYS A 23 -0.557 5.300 7.360 1.00 0.00 N ATOM 308 CA CYS A 23 -0.705 4.260 6.356 1.00 0.00 C ATOM 309 C CYS A 23 0.613 4.144 5.588 1.00 0.00 C ATOM 310 O CYS A 23 1.619 4.735 5.980 1.00 0.00 O ATOM 311 CB CYS A 23 -1.886 4.537 5.424 1.00 0.00 C ATOM 312 SG CYS A 23 -3.214 5.403 6.337 1.00 0.00 S ATOM 0 H CYS A 23 -0.606 6.252 6.998 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.926 3.310 6.842 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.559 5.143 4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.265 3.600 5.016 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.983 4.530 6.917 1.00 0.00 H new ATOM 318 N TYR A 24 0.567 3.378 4.507 1.00 0.00 N ATOM 319 CA TYR A 24 1.745 3.177 3.681 1.00 0.00 C ATOM 320 C TYR A 24 1.377 2.499 2.359 1.00 0.00 C ATOM 321 O TYR A 24 0.268 1.991 2.205 1.00 0.00 O ATOM 322 CB TYR A 24 2.665 2.250 4.477 1.00 0.00 C ATOM 323 CG TYR A 24 2.257 0.776 4.428 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.743 -0.041 3.428 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.404 0.265 5.385 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.359 -1.428 3.382 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.021 -1.123 5.339 1.00 0.00 C ATOM 328 CZ TYR A 24 1.516 -1.901 4.340 1.00 0.00 C ATOM 329 OH TYR A 24 1.154 -3.211 4.296 1.00 0.00 O ATOM 0 H TYR A 24 -0.268 2.889 4.185 1.00 0.00 H new ATOM 0 HA TYR A 24 2.216 4.131 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.681 2.348 4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.682 2.577 5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.411 0.360 2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.024 0.905 6.168 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.732 -2.078 2.605 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.355 -1.537 6.082 1.00 0.00 H new ATOM 0 HH TYR A 24 0.550 -3.409 5.042 1.00 0.00 H new ATOM 339 N ARG A 25 2.330 2.515 1.439 1.00 0.00 N ATOM 340 CA ARG A 25 2.122 1.908 0.135 1.00 0.00 C ATOM 341 C ARG A 25 3.353 1.098 -0.277 1.00 0.00 C ATOM 342 O ARG A 25 4.337 1.659 -0.754 1.00 0.00 O ATOM 343 CB ARG A 25 1.839 2.972 -0.928 1.00 0.00 C ATOM 344 CG ARG A 25 1.047 4.140 -0.337 1.00 0.00 C ATOM 345 CD ARG A 25 1.186 5.391 -1.208 1.00 0.00 C ATOM 346 NE ARG A 25 -0.149 5.842 -1.662 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.365 6.544 -2.794 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.665 6.882 -3.599 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.600 6.895 -3.103 1.00 0.00 N ATOM 0 H ARG A 25 3.248 2.939 1.571 1.00 0.00 H new ATOM 0 HA ARG A 25 1.258 1.247 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.779 3.337 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.280 2.529 -1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.005 3.866 -0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.403 4.353 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.675 6.185 -0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.819 5.176 -2.069 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.956 5.608 -1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.616 6.607 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.492 7.413 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.373 6.635 -2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.781 7.426 -3.955 1.00 0.00 H new ATOM 363 N LYS A 26 3.256 -0.207 -0.078 1.00 0.00 N ATOM 364 CA LYS A 26 4.350 -1.100 -0.423 1.00 0.00 C ATOM 365 C LYS A 26 4.281 -1.431 -1.916 1.00 0.00 C ATOM 366 O LYS A 26 3.216 -1.344 -2.526 1.00 0.00 O ATOM 367 CB LYS A 26 4.342 -2.333 0.482 1.00 0.00 C ATOM 368 CG LYS A 26 5.614 -2.401 1.328 1.00 0.00 C ATOM 369 CD LYS A 26 5.529 -3.530 2.358 1.00 0.00 C ATOM 370 CE LYS A 26 5.235 -2.976 3.753 1.00 0.00 C ATOM 371 NZ LYS A 26 6.128 -3.599 4.756 1.00 0.00 N ATOM 0 H LYS A 26 2.437 -0.669 0.318 1.00 0.00 H new ATOM 0 HA LYS A 26 5.309 -0.612 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.469 -2.304 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.257 -3.234 -0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.477 -2.558 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.767 -1.450 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.747 -4.233 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.467 -4.085 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.371 -1.895 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.194 -3.167 4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.916 -3.212 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.978 -4.628 4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.118 -3.395 4.513 1.00 0.00 H new ATOM 385 N MET A 27 5.429 -1.808 -2.460 1.00 0.00 N ATOM 386 CA MET A 27 5.512 -2.153 -3.868 1.00 0.00 C ATOM 387 C MET A 27 6.600 -3.200 -4.114 1.00 0.00 C ATOM 388 O MET A 27 7.573 -3.277 -3.364 1.00 0.00 O ATOM 389 CB MET A 27 5.818 -0.896 -4.685 1.00 0.00 C ATOM 390 CG MET A 27 4.594 -0.448 -5.484 1.00 0.00 C ATOM 391 SD MET A 27 4.686 1.305 -5.811 1.00 0.00 S ATOM 392 CE MET A 27 3.007 1.611 -6.334 1.00 0.00 C ATOM 0 H MET A 27 6.309 -1.882 -1.950 1.00 0.00 H new ATOM 0 HA MET A 27 4.555 -2.573 -4.176 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.135 -0.094 -4.019 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.648 -1.093 -5.364 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.541 -0.999 -6.423 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.684 -0.675 -4.929 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.695 2.599 -5.996 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.951 1.565 -7.422 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.349 0.856 -5.904 1.00 0.00 H new ATOM 402 N TRP A 28 6.398 -3.981 -5.165 1.00 0.00 N ATOM 403 CA TRP A 28 7.351 -5.020 -5.518 1.00 0.00 C ATOM 404 C TRP A 28 6.977 -5.554 -6.902 1.00 0.00 C ATOM 405 O TRP A 28 7.275 -4.922 -7.915 1.00 0.00 O ATOM 406 CB TRP A 28 7.391 -6.113 -4.448 1.00 0.00 C ATOM 407 CG TRP A 28 6.057 -6.332 -3.732 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.903 -6.769 -4.255 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.784 -6.109 -2.333 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.909 -6.841 -3.299 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.464 -6.428 -2.093 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.626 -5.652 -1.304 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.867 -6.323 -0.831 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.015 -5.552 -0.047 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.686 -5.870 0.209 1.00 0.00 C ATOM 0 H TRP A 28 5.589 -3.915 -5.783 1.00 0.00 H new ATOM 0 HA TRP A 28 8.363 -4.617 -5.561 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.701 -7.050 -4.911 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.150 -5.856 -3.709 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.767 -7.032 -5.294 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.946 -7.142 -3.450 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.663 -5.398 -1.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.830 -6.578 -0.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.617 -5.204 0.779 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.287 -5.768 1.207 1.00 0.00 H new ATOM 426 N CYS A 29 6.331 -6.710 -6.902 1.00 0.00 N ATOM 427 CA CYS A 29 5.914 -7.336 -8.145 1.00 0.00 C ATOM 428 C CYS A 29 5.086 -8.576 -7.805 1.00 0.00 C ATOM 429 O CYS A 29 5.575 -9.492 -7.145 1.00 0.00 O ATOM 430 CB CYS A 29 7.111 -7.675 -9.036 1.00 0.00 C ATOM 431 SG CYS A 29 7.068 -6.657 -10.556 1.00 0.00 S ATOM 0 H CYS A 29 6.086 -7.230 -6.060 1.00 0.00 H new ATOM 0 HA CYS A 29 5.303 -6.639 -8.719 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.040 -7.496 -8.495 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.093 -8.733 -9.297 1.00 0.00 H new ATOM 0 HG CYS A 29 7.323 -7.406 -11.587 1.00 0.00 H new ATOM 437 N ASP A 30 3.846 -8.566 -8.270 1.00 0.00 N ATOM 438 CA ASP A 30 2.945 -9.678 -8.023 1.00 0.00 C ATOM 439 C ASP A 30 3.652 -10.990 -8.373 1.00 0.00 C ATOM 440 O ASP A 30 4.796 -10.980 -8.822 1.00 0.00 O ATOM 441 CB ASP A 30 1.689 -9.573 -8.889 1.00 0.00 C ATOM 442 CG ASP A 30 0.575 -10.562 -8.538 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.500 -11.063 -7.407 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.250 -10.818 -9.498 1.00 0.00 O ATOM 0 H ASP A 30 3.444 -7.805 -8.817 1.00 0.00 H new ATOM 0 HA ASP A 30 2.661 -9.653 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.294 -8.560 -8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.971 -9.722 -9.931 1.00 0.00 H new ATOM 450 N ALA A 31 2.941 -12.085 -8.152 1.00 0.00 N ATOM 451 CA ALA A 31 3.487 -13.401 -8.437 1.00 0.00 C ATOM 452 C ALA A 31 3.548 -13.606 -9.952 1.00 0.00 C ATOM 453 O ALA A 31 3.998 -14.650 -10.425 1.00 0.00 O ATOM 454 CB ALA A 31 2.640 -14.468 -7.739 1.00 0.00 C ATOM 0 H ALA A 31 1.992 -12.088 -7.779 1.00 0.00 H new ATOM 0 HA ALA A 31 4.503 -13.486 -8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.050 -15.455 -7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.652 -14.296 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.614 -14.414 -8.104 1.00 0.00 H new ATOM 460 N PHE A 32 3.087 -12.594 -10.673 1.00 0.00 N ATOM 461 CA PHE A 32 3.083 -12.650 -12.124 1.00 0.00 C ATOM 462 C PHE A 32 3.962 -11.547 -12.718 1.00 0.00 C ATOM 463 O PHE A 32 4.285 -11.577 -13.905 1.00 0.00 O ATOM 464 CB PHE A 32 1.638 -12.433 -12.577 1.00 0.00 C ATOM 465 CG PHE A 32 0.708 -13.609 -12.273 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.532 -14.024 -10.991 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.058 -14.240 -13.288 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.332 -15.117 -10.710 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.806 -15.332 -13.008 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.982 -15.747 -11.724 1.00 0.00 C ATOM 0 H PHE A 32 2.714 -11.731 -10.278 1.00 0.00 H new ATOM 0 HA PHE A 32 3.475 -13.610 -12.460 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.246 -11.539 -12.092 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.629 -12.244 -13.650 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.049 -13.523 -10.186 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.199 -13.911 -14.307 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.472 -15.447 -9.691 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.323 -15.833 -13.813 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.639 -16.577 -11.511 1.00 0.00 H new ATOM 480 N CYS A 33 4.324 -10.599 -11.865 1.00 0.00 N ATOM 481 CA CYS A 33 5.158 -9.489 -12.290 1.00 0.00 C ATOM 482 C CYS A 33 4.763 -9.109 -13.719 1.00 0.00 C ATOM 483 O CYS A 33 5.583 -9.176 -14.633 1.00 0.00 O ATOM 484 CB CYS A 33 6.647 -9.825 -12.181 1.00 0.00 C ATOM 485 SG CYS A 33 7.626 -8.679 -13.221 1.00 0.00 S ATOM 0 H CYS A 33 4.054 -10.578 -10.882 1.00 0.00 H new ATOM 0 HA CYS A 33 4.995 -8.637 -11.630 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.970 -9.752 -11.142 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.820 -10.854 -12.497 1.00 0.00 H new ATOM 0 HG CYS A 33 7.078 -8.584 -14.396 1.00 0.00 H new ATOM 491 N SER A 34 3.504 -8.722 -13.868 1.00 0.00 N ATOM 492 CA SER A 34 2.990 -8.333 -15.170 1.00 0.00 C ATOM 493 C SER A 34 3.657 -7.035 -15.630 1.00 0.00 C ATOM 494 O SER A 34 4.441 -6.440 -14.891 1.00 0.00 O ATOM 495 CB SER A 34 1.470 -8.164 -15.132 1.00 0.00 C ATOM 496 OG SER A 34 0.805 -9.385 -14.821 1.00 0.00 O ATOM 0 H SER A 34 2.825 -8.670 -13.108 1.00 0.00 H new ATOM 0 HA SER A 34 3.224 -9.125 -15.881 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.208 -7.409 -14.391 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.122 -7.797 -16.098 1.00 0.00 H new ATOM 0 HG SER A 34 -0.163 -9.235 -14.805 1.00 0.00 H new ATOM 502 N SER A 35 3.322 -6.635 -16.847 1.00 0.00 N ATOM 503 CA SER A 35 3.879 -5.418 -17.414 1.00 0.00 C ATOM 504 C SER A 35 3.361 -4.199 -16.650 1.00 0.00 C ATOM 505 O SER A 35 3.805 -3.078 -16.889 1.00 0.00 O ATOM 506 CB SER A 35 3.537 -5.296 -18.901 1.00 0.00 C ATOM 507 OG SER A 35 3.872 -6.479 -19.623 1.00 0.00 O ATOM 0 H SER A 35 2.672 -7.131 -17.457 1.00 0.00 H new ATOM 0 HA SER A 35 4.964 -5.464 -17.320 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.472 -5.092 -19.013 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.071 -4.447 -19.328 1.00 0.00 H new ATOM 0 HG SER A 35 3.637 -6.363 -20.567 1.00 0.00 H new ATOM 513 N ARG A 36 2.429 -4.459 -15.745 1.00 0.00 N ATOM 514 CA ARG A 36 1.845 -3.397 -14.944 1.00 0.00 C ATOM 515 C ARG A 36 2.862 -2.882 -13.924 1.00 0.00 C ATOM 516 O ARG A 36 2.542 -2.025 -13.100 1.00 0.00 O ATOM 517 CB ARG A 36 0.596 -3.885 -14.207 1.00 0.00 C ATOM 518 CG ARG A 36 -0.346 -4.626 -15.158 1.00 0.00 C ATOM 519 CD ARG A 36 -0.992 -3.662 -16.155 1.00 0.00 C ATOM 520 NE ARG A 36 -2.319 -3.234 -15.658 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.310 -2.772 -16.449 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.131 -2.673 -17.784 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.456 -2.419 -15.899 1.00 0.00 N ATOM 0 H ARG A 36 2.064 -5.391 -15.549 1.00 0.00 H new ATOM 0 HA ARG A 36 1.561 -2.590 -15.620 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.886 -4.545 -13.389 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.076 -3.036 -13.763 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.207 -5.395 -15.697 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.121 -5.134 -14.584 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.351 -2.792 -16.300 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.097 -4.146 -17.126 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.495 -3.292 -14.655 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.242 -2.948 -18.201 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.885 -2.323 -18.375 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.583 -2.497 -14.890 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.215 -2.068 -16.483 1.00 0.00 H new ATOM 537 N GLY A 37 4.067 -3.425 -14.011 1.00 0.00 N ATOM 538 CA GLY A 37 5.133 -3.032 -13.105 1.00 0.00 C ATOM 539 C GLY A 37 5.064 -3.826 -11.799 1.00 0.00 C ATOM 540 O GLY A 37 5.042 -5.056 -11.817 1.00 0.00 O ATOM 0 H GLY A 37 4.329 -4.134 -14.695 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.099 -3.194 -13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.058 -1.966 -12.891 1.00 0.00 H new ATOM 544 N LYS A 38 5.032 -3.090 -10.698 1.00 0.00 N ATOM 545 CA LYS A 38 4.967 -3.712 -9.385 1.00 0.00 C ATOM 546 C LYS A 38 3.515 -3.727 -8.905 1.00 0.00 C ATOM 547 O LYS A 38 2.597 -3.454 -9.679 1.00 0.00 O ATOM 548 CB LYS A 38 5.927 -3.018 -8.417 1.00 0.00 C ATOM 549 CG LYS A 38 7.130 -2.436 -9.160 1.00 0.00 C ATOM 550 CD LYS A 38 7.659 -3.421 -10.205 1.00 0.00 C ATOM 551 CE LYS A 38 9.188 -3.436 -10.223 1.00 0.00 C ATOM 552 NZ LYS A 38 9.711 -4.288 -9.131 1.00 0.00 N ATOM 0 H LYS A 38 5.050 -2.070 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 38 5.297 -4.750 -9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.403 -2.223 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.269 -3.730 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.845 -1.503 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.920 -2.196 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.285 -4.422 -9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.283 -3.147 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.543 -3.808 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.569 -2.421 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.372 -3.737 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.921 -4.620 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.208 -5.106 -9.537 1.00 0.00 H new ATOM 566 N VAL A 39 3.349 -4.049 -7.630 1.00 0.00 N ATOM 567 CA VAL A 39 2.023 -4.104 -7.038 1.00 0.00 C ATOM 568 C VAL A 39 1.814 -2.874 -6.152 1.00 0.00 C ATOM 569 O VAL A 39 2.543 -1.891 -6.268 1.00 0.00 O ATOM 570 CB VAL A 39 1.842 -5.422 -6.284 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.361 -5.796 -6.181 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.646 -6.547 -6.941 1.00 0.00 C ATOM 0 H VAL A 39 4.111 -4.274 -6.991 1.00 0.00 H new ATOM 0 HA VAL A 39 1.257 -4.080 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 39 2.225 -5.283 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.260 -6.737 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.176 -5.012 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.057 -5.906 -7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.499 -7.472 -6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.308 -6.684 -7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.704 -6.287 -6.939 1.00 0.00 H new ATOM 582 N VAL A 40 0.814 -2.970 -5.288 1.00 0.00 N ATOM 583 CA VAL A 40 0.498 -1.878 -4.385 1.00 0.00 C ATOM 584 C VAL A 40 -0.177 -2.437 -3.131 1.00 0.00 C ATOM 585 O VAL A 40 -1.393 -2.336 -2.979 1.00 0.00 O ATOM 586 CB VAL A 40 -0.353 -0.831 -5.106 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.208 0.542 -4.444 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.003 -0.764 -6.592 1.00 0.00 C ATOM 0 H VAL A 40 0.212 -3.788 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 40 1.409 -1.372 -4.065 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.397 -1.134 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.823 1.269 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.533 0.481 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.836 0.855 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.616 -0.012 -7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.054 -0.496 -6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.174 -1.736 -7.053 1.00 0.00 H new ATOM 598 N GLU A 41 0.641 -3.017 -2.265 1.00 0.00 N ATOM 599 CA GLU A 41 0.138 -3.594 -1.030 1.00 0.00 C ATOM 600 C GLU A 41 0.177 -2.556 0.095 1.00 0.00 C ATOM 601 O GLU A 41 0.972 -2.675 1.026 1.00 0.00 O ATOM 602 CB GLU A 41 0.929 -4.846 -0.648 1.00 0.00 C ATOM 603 CG GLU A 41 1.177 -5.732 -1.871 1.00 0.00 C ATOM 604 CD GLU A 41 0.844 -7.193 -1.567 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.982 -7.635 -0.416 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.426 -7.879 -2.577 1.00 0.00 O ATOM 0 H GLU A 41 1.649 -3.100 -2.394 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.898 -3.893 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.882 -4.557 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.383 -5.409 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.570 -5.383 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.219 -5.649 -2.179 1.00 0.00 H new ATOM 614 N LEU A 42 -0.691 -1.563 -0.029 1.00 0.00 N ATOM 615 CA LEU A 42 -0.766 -0.506 0.966 1.00 0.00 C ATOM 616 C LEU A 42 -1.283 -1.086 2.282 1.00 0.00 C ATOM 617 O LEU A 42 -1.524 -2.288 2.383 1.00 0.00 O ATOM 618 CB LEU A 42 -1.597 0.665 0.440 1.00 0.00 C ATOM 619 CG LEU A 42 -1.544 0.902 -1.070 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.781 0.324 -1.759 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.354 2.387 -1.386 1.00 0.00 C ATOM 0 H LEU A 42 -1.348 -1.468 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 42 0.225 -0.099 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.636 0.504 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.265 1.574 0.942 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.677 0.375 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.718 0.506 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.832 -0.749 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.676 0.803 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.320 2.528 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.186 2.956 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.420 2.736 -0.945 1.00 0.00 H new ATOM 633 N GLY A 43 -1.439 -0.206 3.260 1.00 0.00 N ATOM 634 CA GLY A 43 -1.924 -0.616 4.568 1.00 0.00 C ATOM 635 C GLY A 43 -1.528 0.400 5.641 1.00 0.00 C ATOM 636 O GLY A 43 -1.449 1.597 5.371 1.00 0.00 O ATOM 0 H GLY A 43 -1.238 0.790 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.009 -0.719 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.517 -1.595 4.821 1.00 0.00 H new ATOM 640 N CYS A 44 -1.292 -0.116 6.838 1.00 0.00 N ATOM 641 CA CYS A 44 -0.907 0.731 7.956 1.00 0.00 C ATOM 642 C CYS A 44 0.545 0.413 8.322 1.00 0.00 C ATOM 643 O CYS A 44 1.023 -0.691 8.072 1.00 0.00 O ATOM 644 CB CYS A 44 -1.848 0.556 9.149 1.00 0.00 C ATOM 645 SG CYS A 44 -3.583 0.473 8.571 1.00 0.00 S ATOM 0 H CYS A 44 -1.360 -1.109 7.059 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.986 1.779 7.666 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.593 -0.354 9.693 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.727 1.387 9.843 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.987 1.663 8.238 1.00 0.00 H new ATOM 651 N ALA A 45 1.204 1.401 8.909 1.00 0.00 N ATOM 652 CA ALA A 45 2.589 1.242 9.312 1.00 0.00 C ATOM 653 C ALA A 45 2.980 2.387 10.247 1.00 0.00 C ATOM 654 O ALA A 45 2.511 3.513 10.084 1.00 0.00 O ATOM 655 CB ALA A 45 3.479 1.176 8.068 1.00 0.00 C ATOM 0 H ALA A 45 0.803 2.316 9.115 1.00 0.00 H new ATOM 0 HA ALA A 45 2.723 0.309 9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.519 1.057 8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.181 0.328 7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.371 2.097 7.494 1.00 0.00 H new ATOM 661 N ALA A 46 3.834 2.061 11.206 1.00 0.00 N ATOM 662 CA ALA A 46 4.293 3.049 12.168 1.00 0.00 C ATOM 663 C ALA A 46 4.850 4.262 11.420 1.00 0.00 C ATOM 664 O ALA A 46 4.518 5.402 11.744 1.00 0.00 O ATOM 665 CB ALA A 46 5.327 2.414 13.100 1.00 0.00 C ATOM 0 H ALA A 46 4.220 1.126 11.338 1.00 0.00 H new ATOM 0 HA ALA A 46 3.465 3.394 12.787 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.671 3.156 13.821 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.874 1.576 13.629 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.174 2.057 12.514 1.00 0.00 H new ATOM 671 N THR A 47 5.685 3.977 10.433 1.00 0.00 N ATOM 672 CA THR A 47 6.291 5.031 9.636 1.00 0.00 C ATOM 673 C THR A 47 6.801 4.469 8.307 1.00 0.00 C ATOM 674 O THR A 47 6.986 3.261 8.170 1.00 0.00 O ATOM 675 CB THR A 47 7.386 5.689 10.478 1.00 0.00 C ATOM 676 OG1 THR A 47 8.169 4.596 10.948 1.00 0.00 O ATOM 677 CG2 THR A 47 6.837 6.329 11.756 1.00 0.00 C ATOM 0 H THR A 47 5.957 3.031 10.166 1.00 0.00 H new ATOM 0 HA THR A 47 5.561 5.796 9.370 1.00 0.00 H new ATOM 0 HB THR A 47 7.895 6.446 9.881 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.903 4.934 11.502 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.655 6.782 12.317 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.108 7.096 11.495 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.357 5.566 12.368 1.00 0.00 H new ATOM 685 N CYS A 48 7.014 5.373 7.363 1.00 0.00 N ATOM 686 CA CYS A 48 7.498 4.983 6.050 1.00 0.00 C ATOM 687 C CYS A 48 8.436 3.785 6.220 1.00 0.00 C ATOM 688 O CYS A 48 9.613 3.954 6.534 1.00 0.00 O ATOM 689 CB CYS A 48 8.186 6.147 5.331 1.00 0.00 C ATOM 690 SG CYS A 48 7.763 7.726 6.153 1.00 0.00 S ATOM 0 H CYS A 48 6.860 6.374 7.481 1.00 0.00 H new ATOM 0 HA CYS A 48 6.656 4.699 5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.266 6.002 5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.874 6.176 4.287 1.00 0.00 H new ATOM 0 HG CYS A 48 6.496 7.738 6.443 1.00 0.00 H new ATOM 696 N PRO A 49 7.863 2.572 6.000 1.00 0.00 N ATOM 697 CA PRO A 49 8.634 1.346 6.125 1.00 0.00 C ATOM 698 C PRO A 49 9.568 1.161 4.928 1.00 0.00 C ATOM 699 O PRO A 49 10.362 0.223 4.896 1.00 0.00 O ATOM 700 CB PRO A 49 7.597 0.241 6.248 1.00 0.00 C ATOM 701 CG PRO A 49 6.298 0.828 5.721 1.00 0.00 C ATOM 702 CD PRO A 49 6.472 2.335 5.627 1.00 0.00 C ATOM 0 HA PRO A 49 9.296 1.351 6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.891 -0.636 5.672 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.489 -0.079 7.284 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.059 0.410 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.470 0.580 6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.266 2.695 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.788 2.855 6.298 1.00 0.00 H new ATOM 710 N SER A 50 9.441 2.070 3.973 1.00 0.00 N ATOM 711 CA SER A 50 10.264 2.019 2.777 1.00 0.00 C ATOM 712 C SER A 50 11.568 1.276 3.071 1.00 0.00 C ATOM 713 O SER A 50 12.168 1.462 4.129 1.00 0.00 O ATOM 714 CB SER A 50 10.560 3.425 2.251 1.00 0.00 C ATOM 715 OG SER A 50 10.144 3.586 0.897 1.00 0.00 O ATOM 0 H SER A 50 8.780 2.846 4.003 1.00 0.00 H new ATOM 0 HA SER A 50 9.713 1.481 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.053 4.160 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.629 3.624 2.328 1.00 0.00 H new ATOM 0 HG SER A 50 9.229 3.251 0.794 1.00 0.00 H new ATOM 721 N LYS A 51 11.970 0.450 2.116 1.00 0.00 N ATOM 722 CA LYS A 51 13.193 -0.322 2.259 1.00 0.00 C ATOM 723 C LYS A 51 14.353 0.446 1.621 1.00 0.00 C ATOM 724 O LYS A 51 14.728 1.517 2.093 1.00 0.00 O ATOM 725 CB LYS A 51 13.006 -1.732 1.698 1.00 0.00 C ATOM 726 CG LYS A 51 12.434 -2.675 2.760 1.00 0.00 C ATOM 727 CD LYS A 51 13.551 -3.298 3.598 1.00 0.00 C ATOM 728 CE LYS A 51 14.184 -2.260 4.528 1.00 0.00 C ATOM 729 NZ LYS A 51 13.157 -1.647 5.398 1.00 0.00 N ATOM 0 H LYS A 51 11.470 0.298 1.240 1.00 0.00 H new ATOM 0 HA LYS A 51 13.439 -0.454 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.337 -1.699 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.963 -2.116 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.751 -2.127 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.854 -3.462 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.151 -4.123 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.314 -3.716 2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.952 -2.732 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.677 -1.487 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.620 -1.061 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.525 -1.053 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.602 -2.395 5.861 1.00 0.00 H new ATOM 743 N LYS A 52 14.889 -0.135 0.556 1.00 0.00 N ATOM 744 CA LYS A 52 15.999 0.481 -0.152 1.00 0.00 C ATOM 745 C LYS A 52 16.034 -0.043 -1.588 1.00 0.00 C ATOM 746 O LYS A 52 16.065 0.738 -2.538 1.00 0.00 O ATOM 747 CB LYS A 52 17.306 0.267 0.614 1.00 0.00 C ATOM 748 CG LYS A 52 17.191 0.784 2.049 1.00 0.00 C ATOM 749 CD LYS A 52 16.859 -0.354 3.016 1.00 0.00 C ATOM 750 CE LYS A 52 16.737 0.163 4.451 1.00 0.00 C ATOM 751 NZ LYS A 52 17.591 -0.629 5.363 1.00 0.00 N ATOM 0 H LYS A 52 14.575 -1.024 0.167 1.00 0.00 H new ATOM 0 HA LYS A 52 15.864 1.561 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.556 -0.794 0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.120 0.781 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.128 1.256 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.417 1.549 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.925 -0.830 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.636 -1.117 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.028 1.213 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.698 0.107 4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.496 -0.264 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.295 -1.626 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.583 -0.555 5.061 1.00 0.00 H new ATOM 765 N PRO A 53 16.029 -1.397 -1.707 1.00 0.00 N ATOM 766 CA PRO A 53 16.061 -2.036 -3.012 1.00 0.00 C ATOM 767 C PRO A 53 14.700 -1.935 -3.704 1.00 0.00 C ATOM 768 O PRO A 53 14.315 -0.865 -4.171 1.00 0.00 O ATOM 769 CB PRO A 53 16.484 -3.469 -2.739 1.00 0.00 C ATOM 770 CG PRO A 53 16.224 -3.707 -1.261 1.00 0.00 C ATOM 771 CD PRO A 53 15.993 -2.355 -0.604 1.00 0.00 C ATOM 0 HA PRO A 53 16.757 -1.555 -3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.915 -4.168 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.537 -3.618 -2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.355 -4.351 -1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.072 -4.215 -0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.035 -2.325 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.764 -2.137 0.135 1.00 0.00 H new ATOM 779 N TYR A 54 14.010 -3.065 -3.747 1.00 0.00 N ATOM 780 CA TYR A 54 12.700 -3.120 -4.375 1.00 0.00 C ATOM 781 C TYR A 54 11.611 -2.649 -3.410 1.00 0.00 C ATOM 782 O TYR A 54 10.823 -1.764 -3.741 1.00 0.00 O ATOM 783 CB TYR A 54 12.459 -4.590 -4.723 1.00 0.00 C ATOM 784 CG TYR A 54 12.998 -5.572 -3.681 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.347 -5.852 -3.629 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.132 -6.178 -2.792 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.854 -6.775 -2.648 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.639 -7.101 -1.810 1.00 0.00 C ATOM 789 CZ TYR A 54 13.975 -7.355 -1.787 1.00 0.00 C ATOM 790 OH TYR A 54 14.454 -8.229 -0.860 1.00 0.00 O ATOM 0 H TYR A 54 14.333 -3.950 -3.357 1.00 0.00 H new ATOM 0 HA TYR A 54 12.667 -2.474 -5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.388 -4.754 -4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.923 -4.806 -5.685 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.024 -5.378 -4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.075 -5.960 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.909 -7.002 -2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.974 -7.581 -1.108 1.00 0.00 H new ATOM 0 HH TYR A 54 13.713 -8.564 -0.313 1.00 0.00 H new ATOM 800 N GLU A 55 11.599 -3.263 -2.236 1.00 0.00 N ATOM 801 CA GLU A 55 10.618 -2.919 -1.221 1.00 0.00 C ATOM 802 C GLU A 55 10.344 -1.414 -1.236 1.00 0.00 C ATOM 803 O GLU A 55 10.775 -0.692 -0.340 1.00 0.00 O ATOM 804 CB GLU A 55 11.078 -3.379 0.165 1.00 0.00 C ATOM 805 CG GLU A 55 10.630 -4.815 0.442 1.00 0.00 C ATOM 806 CD GLU A 55 10.852 -5.182 1.911 1.00 0.00 C ATOM 807 OE1 GLU A 55 10.022 -4.840 2.768 1.00 0.00 O ATOM 808 OE2 GLU A 55 11.929 -5.850 2.151 1.00 0.00 O ATOM 0 H GLU A 55 12.253 -3.997 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 55 9.689 -3.440 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.164 -3.314 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.671 -2.714 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.575 -4.926 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.184 -5.503 -0.197 1.00 0.00 H new ATOM 816 N GLU A 56 9.626 -0.987 -2.265 1.00 0.00 N ATOM 817 CA GLU A 56 9.289 0.420 -2.409 1.00 0.00 C ATOM 818 C GLU A 56 8.000 0.736 -1.649 1.00 0.00 C ATOM 819 O GLU A 56 6.907 0.635 -2.204 1.00 0.00 O ATOM 820 CB GLU A 56 9.163 0.805 -3.885 1.00 0.00 C ATOM 821 CG GLU A 56 10.096 1.967 -4.230 1.00 0.00 C ATOM 822 CD GLU A 56 9.499 2.840 -5.333 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.582 2.402 -6.044 1.00 0.00 O ATOM 824 OE2 GLU A 56 10.018 4.017 -5.440 1.00 0.00 O ATOM 0 H GLU A 56 9.269 -1.590 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 56 10.096 1.013 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.401 -0.055 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.132 1.084 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.275 2.571 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.062 1.579 -4.552 1.00 0.00 H new ATOM 832 N VAL A 57 8.171 1.114 -0.391 1.00 0.00 N ATOM 833 CA VAL A 57 7.035 1.446 0.452 1.00 0.00 C ATOM 834 C VAL A 57 6.850 2.965 0.477 1.00 0.00 C ATOM 835 O VAL A 57 7.787 3.712 0.198 1.00 0.00 O ATOM 836 CB VAL A 57 7.223 0.844 1.846 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.884 0.727 2.578 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.924 -0.513 1.768 1.00 0.00 C ATOM 0 H VAL A 57 9.079 1.198 0.065 1.00 0.00 H new ATOM 0 HA VAL A 57 6.120 1.013 0.047 1.00 0.00 H new ATOM 0 HB VAL A 57 7.861 1.518 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.046 0.296 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.439 1.716 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.213 0.085 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.045 -0.918 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.324 -1.199 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.904 -0.390 1.306 1.00 0.00 H new ATOM 848 N THR A 58 5.638 3.376 0.814 1.00 0.00 N ATOM 849 CA THR A 58 5.318 4.792 0.879 1.00 0.00 C ATOM 850 C THR A 58 4.684 5.136 2.228 1.00 0.00 C ATOM 851 O THR A 58 5.032 4.543 3.248 1.00 0.00 O ATOM 852 CB THR A 58 4.423 5.130 -0.315 1.00 0.00 C ATOM 853 OG1 THR A 58 4.896 4.278 -1.356 1.00 0.00 O ATOM 854 CG2 THR A 58 4.669 6.543 -0.850 1.00 0.00 C ATOM 0 H THR A 58 4.864 2.753 1.045 1.00 0.00 H new ATOM 0 HA THR A 58 6.218 5.403 0.813 1.00 0.00 H new ATOM 0 HB THR A 58 3.377 5.028 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.624 3.355 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.009 6.732 -1.696 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.468 7.270 -0.063 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.706 6.635 -1.172 1.00 0.00 H new ATOM 862 N CYS A 59 3.768 6.092 2.191 1.00 0.00 N ATOM 863 CA CYS A 59 3.085 6.522 3.397 1.00 0.00 C ATOM 864 C CYS A 59 1.709 7.061 3.004 1.00 0.00 C ATOM 865 O CYS A 59 1.413 7.214 1.820 1.00 0.00 O ATOM 866 CB CYS A 59 3.903 7.556 4.173 1.00 0.00 C ATOM 867 SG CYS A 59 5.141 6.714 5.225 1.00 0.00 S ATOM 0 H CYS A 59 3.483 6.581 1.343 1.00 0.00 H new ATOM 0 HA CYS A 59 2.963 5.674 4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.403 8.232 3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.243 8.165 4.791 1.00 0.00 H new ATOM 0 HG CYS A 59 6.301 7.278 5.066 1.00 0.00 H new ATOM 873 N CYS A 60 0.903 7.335 4.019 1.00 0.00 N ATOM 874 CA CYS A 60 -0.436 7.854 3.794 1.00 0.00 C ATOM 875 C CYS A 60 -1.106 8.063 5.154 1.00 0.00 C ATOM 876 O CYS A 60 -1.348 7.103 5.884 1.00 0.00 O ATOM 877 CB CYS A 60 -1.257 6.930 2.890 1.00 0.00 C ATOM 878 SG CYS A 60 -2.923 6.679 3.602 1.00 0.00 S ATOM 0 H CYS A 60 1.151 7.207 5.000 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.375 8.808 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.340 7.363 1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.751 5.971 2.780 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.820 6.454 4.878 1.00 0.00 H new ATOM 884 N SER A 61 -1.384 9.323 5.453 1.00 0.00 N ATOM 885 CA SER A 61 -2.020 9.669 6.712 1.00 0.00 C ATOM 886 C SER A 61 -3.453 10.143 6.461 1.00 0.00 C ATOM 887 O SER A 61 -4.343 9.898 7.275 1.00 0.00 O ATOM 888 CB SER A 61 -1.226 10.748 7.451 1.00 0.00 C ATOM 889 OG SER A 61 -1.557 12.060 6.997 1.00 0.00 O ATOM 0 H SER A 61 -1.181 10.116 4.845 1.00 0.00 H new ATOM 0 HA SER A 61 -2.043 8.778 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.422 10.674 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.159 10.574 7.310 1.00 0.00 H new ATOM 0 HG SER A 61 -1.031 12.721 7.494 1.00 0.00 H new ATOM 895 N THR A 62 -3.633 10.813 5.332 1.00 0.00 N ATOM 896 CA THR A 62 -4.942 11.324 4.965 1.00 0.00 C ATOM 897 C THR A 62 -6.000 10.227 5.101 1.00 0.00 C ATOM 898 O THR A 62 -5.666 9.049 5.228 1.00 0.00 O ATOM 899 CB THR A 62 -4.845 11.902 3.552 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.483 11.699 3.188 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.015 13.422 3.528 1.00 0.00 C ATOM 0 H THR A 62 -2.893 11.014 4.659 1.00 0.00 H new ATOM 0 HA THR A 62 -5.258 12.122 5.637 1.00 0.00 H new ATOM 0 HB THR A 62 -5.604 11.443 2.919 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.257 10.750 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.938 13.781 2.502 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.993 13.685 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.236 13.885 4.134 1.00 0.00 H new ATOM 909 N ASP A 63 -7.254 10.650 5.070 1.00 0.00 N ATOM 910 CA ASP A 63 -8.363 9.718 5.189 1.00 0.00 C ATOM 911 C ASP A 63 -8.480 8.905 3.898 1.00 0.00 C ATOM 912 O ASP A 63 -8.989 9.398 2.893 1.00 0.00 O ATOM 913 CB ASP A 63 -9.686 10.458 5.402 1.00 0.00 C ATOM 914 CG ASP A 63 -10.101 10.632 6.865 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.838 9.804 7.420 1.00 0.00 O ATOM 916 OD2 ASP A 63 -9.630 11.683 7.445 1.00 0.00 O ATOM 0 H ASP A 63 -7.528 11.627 4.964 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.169 9.072 6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.612 11.443 4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.475 9.919 4.878 1.00 0.00 H new ATOM 922 N LYS A 64 -7.999 7.672 3.968 1.00 0.00 N ATOM 923 CA LYS A 64 -8.044 6.785 2.818 1.00 0.00 C ATOM 924 C LYS A 64 -7.119 7.328 1.727 1.00 0.00 C ATOM 925 O LYS A 64 -7.531 7.472 0.576 1.00 0.00 O ATOM 926 CB LYS A 64 -9.487 6.578 2.356 1.00 0.00 C ATOM 927 CG LYS A 64 -10.334 5.951 3.466 1.00 0.00 C ATOM 928 CD LYS A 64 -11.812 5.914 3.073 1.00 0.00 C ATOM 929 CE LYS A 64 -12.568 4.858 3.881 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.935 5.328 4.198 1.00 0.00 N ATOM 0 H LYS A 64 -7.576 7.267 4.803 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.676 5.794 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.919 7.534 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.502 5.936 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.983 4.939 3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.213 6.521 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.261 6.894 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.904 5.697 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.619 3.927 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.028 4.642 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.434 4.599 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.880 6.204 4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.453 5.511 3.315 1.00 0.00 H new ATOM 944 N CYS A 65 -5.888 7.614 2.126 1.00 0.00 N ATOM 945 CA CYS A 65 -4.903 8.137 1.193 1.00 0.00 C ATOM 946 C CYS A 65 -3.998 6.985 0.753 1.00 0.00 C ATOM 947 O CYS A 65 -2.840 7.200 0.400 1.00 0.00 O ATOM 948 CB CYS A 65 -4.103 9.289 1.807 1.00 0.00 C ATOM 949 SG CYS A 65 -3.764 8.946 3.572 1.00 0.00 S ATOM 0 H CYS A 65 -5.550 7.494 3.081 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.407 8.553 0.321 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.165 9.420 1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.659 10.221 1.710 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.946 7.681 3.811 1.00 0.00 H new ATOM 955 N ASN A 66 -4.561 5.786 0.788 1.00 0.00 N ATOM 956 CA ASN A 66 -3.820 4.599 0.397 1.00 0.00 C ATOM 957 C ASN A 66 -4.366 4.077 -0.933 1.00 0.00 C ATOM 958 O ASN A 66 -4.012 2.982 -1.367 1.00 0.00 O ATOM 959 CB ASN A 66 -3.970 3.488 1.438 1.00 0.00 C ATOM 960 CG ASN A 66 -2.617 3.128 2.056 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.387 2.020 2.509 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.738 4.126 2.050 1.00 0.00 N ATOM 0 H ASN A 66 -5.522 5.611 1.081 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.768 4.872 0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.657 3.809 2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.407 2.605 0.972 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.806 3.987 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.996 5.030 1.654 1.00 0.00 H new ATOM 969 N PRO A 67 -5.242 4.907 -1.560 1.00 0.00 N ATOM 970 CA PRO A 67 -5.840 4.542 -2.833 1.00 0.00 C ATOM 971 C PRO A 67 -4.831 4.686 -3.974 1.00 0.00 C ATOM 972 O PRO A 67 -4.973 5.564 -4.824 1.00 0.00 O ATOM 973 CB PRO A 67 -7.041 5.460 -2.981 1.00 0.00 C ATOM 974 CG PRO A 67 -6.806 6.613 -2.019 1.00 0.00 C ATOM 975 CD PRO A 67 -5.683 6.212 -1.076 1.00 0.00 C ATOM 0 HA PRO A 67 -6.148 3.497 -2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.134 5.819 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.966 4.935 -2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.541 7.518 -2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.714 6.834 -1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.870 6.938 -1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.033 6.155 -0.045 1.00 0.00 H new ATOM 983 N HIS A 68 -3.835 3.813 -3.956 1.00 0.00 N ATOM 984 CA HIS A 68 -2.803 3.833 -4.980 1.00 0.00 C ATOM 985 C HIS A 68 -3.431 4.162 -6.334 1.00 0.00 C ATOM 986 O HIS A 68 -4.630 3.968 -6.532 1.00 0.00 O ATOM 987 CB HIS A 68 -2.024 2.516 -4.991 1.00 0.00 C ATOM 988 CG HIS A 68 -2.896 1.287 -5.096 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.739 0.341 -6.093 1.00 0.00 N ATOM 990 CD2 HIS A 68 -3.932 0.861 -4.318 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.646 -0.608 -5.914 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.385 -0.284 -4.815 1.00 0.00 N ATOM 0 H HIS A 68 -3.720 3.087 -3.249 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.077 4.615 -4.756 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.326 2.526 -5.828 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.429 2.450 -4.080 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.044 0.369 -6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.318 1.368 -3.446 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.777 -1.485 -6.531 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.572 4.668 -7.259 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.029 5.026 -8.591 1.00 0.00 C ATOM 1003 C PRO A 69 -3.266 3.778 -9.444 1.00 0.00 C ATOM 1004 O PRO A 69 -2.315 3.154 -9.912 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.944 5.931 -9.150 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.709 5.674 -8.303 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.146 4.913 -7.062 1.00 0.00 C ATOM 0 HA PRO A 69 -3.991 5.539 -8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.751 5.707 -10.199 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.243 6.978 -9.097 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.026 5.098 -8.865 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.233 6.615 -8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.595 3.979 -6.956 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.965 5.494 -6.157 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.538 3.451 -9.618 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.910 2.288 -10.406 1.00 0.00 C ATOM 1017 C LYS A 70 -6.365 2.430 -10.859 1.00 0.00 C ATOM 1018 O LYS A 70 -6.707 2.066 -11.983 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.632 1.002 -9.627 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.793 1.287 -8.378 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.548 2.197 -7.407 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.041 1.864 -7.393 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.807 2.940 -6.725 1.00 0.00 N ATOM 0 H LYS A 70 -5.324 3.971 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.299 2.226 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.574 0.537 -9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.109 0.291 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.542 0.349 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.853 1.757 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.137 2.085 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.407 3.239 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.400 1.734 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.204 0.919 -6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.634 3.188 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.125 2.611 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.201 3.777 -6.610 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.182 2.960 -9.960 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.592 3.152 -10.254 1.00 0.00 C ATOM 1039 C GLN A 71 -8.762 4.124 -11.424 1.00 0.00 C ATOM 1040 O GLN A 71 -9.389 5.172 -11.280 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.346 3.647 -9.017 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.717 2.481 -8.099 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.392 2.982 -6.820 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.527 3.431 -6.823 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.633 2.882 -5.733 1.00 0.00 N ATOM 0 H GLN A 71 -6.895 3.262 -9.029 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.019 2.191 -10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.729 4.362 -8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.249 4.175 -9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.386 1.799 -8.624 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.821 1.915 -7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.691 2.496 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.992 3.191 -4.830 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.193 3.739 -12.557 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.273 4.562 -13.752 1.00 0.00 C ATOM 1056 C ARG A 72 -9.393 4.061 -14.668 1.00 0.00 C ATOM 1057 O ARG A 72 -10.226 4.845 -15.122 1.00 0.00 O ATOM 1058 CB ARG A 72 -6.952 4.549 -14.520 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.166 4.924 -15.988 1.00 0.00 C ATOM 1060 CD ARG A 72 -7.113 3.685 -16.884 1.00 0.00 C ATOM 1061 NE ARG A 72 -7.622 4.014 -18.234 1.00 0.00 N ATOM 1062 CZ ARG A 72 -6.940 4.743 -19.143 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -5.713 5.225 -18.853 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -7.491 4.978 -20.320 1.00 0.00 N ATOM 0 H ARG A 72 -7.675 2.868 -12.673 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.486 5.583 -13.437 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.254 5.248 -14.061 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.500 3.559 -14.456 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.130 5.420 -16.104 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.402 5.636 -16.300 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.089 3.319 -16.952 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.709 2.884 -16.447 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.546 3.668 -18.494 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.294 5.039 -17.942 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.204 5.775 -19.545 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.419 4.610 -20.531 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.989 5.527 -21.018 1.00 0.00 H new ATOM 1078 N PRO A 73 -9.375 2.725 -14.918 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.379 2.109 -15.771 1.00 0.00 C ATOM 1080 C PRO A 73 -11.720 1.991 -15.043 1.00 0.00 C ATOM 1081 O PRO A 73 -11.770 2.033 -13.815 1.00 0.00 O ATOM 1082 CB PRO A 73 -9.792 0.762 -16.159 1.00 0.00 C ATOM 1083 CG PRO A 73 -8.699 0.475 -15.142 1.00 0.00 C ATOM 1084 CD PRO A 73 -8.405 1.766 -14.397 1.00 0.00 C ATOM 0 HA PRO A 73 -10.599 2.703 -16.658 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.555 -0.016 -16.142 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.387 0.789 -17.171 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.018 -0.302 -14.448 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.801 0.109 -15.640 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.516 1.636 -13.321 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.383 2.101 -14.574 1.00 0.00 H new ATOM 1092 N GLY A 74 -12.774 1.848 -15.832 1.00 0.00 N ATOM 1093 CA GLY A 74 -14.112 1.723 -15.280 1.00 0.00 C ATOM 1094 C GLY A 74 -14.390 0.285 -14.838 1.00 0.00 C ATOM 1095 O GLY A 74 -15.538 -0.078 -14.580 1.00 0.00 O ATOM 0 H GLY A 74 -12.729 1.816 -16.850 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.223 2.396 -14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.847 2.027 -16.026 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.130 -9.893 -11.248 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.310 -9.963 -9.807 1.00 0.00 C ATOM 1102 C HIS B 1 -6.025 -9.519 -9.107 1.00 0.00 C ATOM 1103 O HIS B 1 -5.148 -10.337 -8.833 1.00 0.00 O ATOM 1104 CB HIS B 1 -7.764 -11.362 -9.383 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.553 -11.388 -8.097 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -9.826 -11.927 -8.007 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -8.238 -10.938 -6.848 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -10.247 -11.800 -6.758 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -9.261 -11.186 -6.041 1.00 0.00 N ATOM 0 H1 HIS B 1 -8.060 -9.876 -11.714 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.606 -9.028 -11.491 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.595 -10.724 -11.572 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.103 -9.280 -9.503 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -8.372 -11.792 -10.179 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -6.887 -11.999 -9.272 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -7.312 -10.460 -6.564 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -11.203 -12.125 -6.374 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -9.304 -10.956 -5.048 1.00 0.00 H new ATOM 1118 N ARG B 2 -5.955 -8.224 -8.836 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.791 -7.660 -8.173 1.00 0.00 C ATOM 1120 C ARG B 2 -4.934 -6.143 -8.045 1.00 0.00 C ATOM 1121 O ARG B 2 -5.789 -5.541 -8.694 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.508 -7.982 -8.944 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.712 -9.088 -8.247 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.459 -8.521 -7.578 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.023 -9.415 -6.481 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.777 -9.708 -5.399 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.011 -9.180 -5.262 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.289 -10.519 -4.479 1.00 0.00 N ATOM 0 H ARG B 2 -6.685 -7.549 -9.063 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.727 -8.106 -7.181 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.757 -8.293 -9.959 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.895 -7.085 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.338 -9.577 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.428 -9.850 -8.973 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.660 -8.416 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.665 -7.525 -7.187 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.096 -9.836 -6.546 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.381 -8.555 -5.978 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.574 -9.406 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.355 -10.914 -4.591 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.845 -10.750 -3.656 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.085 -5.568 -7.207 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.107 -4.131 -6.986 1.00 0.00 C ATOM 1144 C TYR B 3 -2.810 -3.482 -7.472 1.00 0.00 C ATOM 1145 O TYR B 3 -2.183 -2.717 -6.741 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.226 -3.938 -5.474 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.490 -5.233 -4.700 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.440 -6.061 -4.361 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.779 -5.571 -4.343 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.687 -7.277 -3.634 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.027 -6.789 -3.615 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.970 -7.582 -3.297 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.204 -8.732 -2.609 1.00 0.00 O ATOM 0 H TYR B 3 -3.377 -6.071 -6.672 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.931 -3.671 -7.531 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.307 -3.486 -5.102 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.033 -3.234 -5.270 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.431 -5.796 -4.642 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.601 -4.923 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.873 -7.933 -3.362 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.031 -7.066 -3.328 1.00 0.00 H new ATOM 0 HH TYR B 3 -4.668 -8.737 -1.789 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.444 -3.813 -8.702 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.231 -3.271 -9.293 1.00 0.00 C ATOM 1165 C TYR B 4 -1.282 -1.742 -9.346 1.00 0.00 C ATOM 1166 O TYR B 4 -2.114 -1.123 -8.686 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.177 -3.818 -10.720 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.209 -4.987 -10.903 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.636 -6.281 -10.679 1.00 0.00 C ATOM 1170 CD2 TYR B 4 1.094 -4.749 -11.292 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.276 -7.381 -10.850 1.00 0.00 C ATOM 1172 CE2 TYR B 4 2.007 -5.850 -11.463 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.553 -7.110 -11.234 1.00 0.00 C ATOM 1174 OH TYR B 4 2.415 -8.150 -11.397 1.00 0.00 O ATOM 0 H TYR B 4 -2.965 -4.449 -9.305 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.358 -3.553 -8.704 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.177 -4.139 -11.013 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -0.890 -3.013 -11.396 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.655 -6.468 -10.375 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.429 -3.737 -11.468 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.045 -8.398 -10.678 1.00 0.00 H new ATOM 0 HE2 TYR B 4 3.029 -5.678 -11.766 1.00 0.00 H new ATOM 0 HH TYR B 4 3.125 -8.095 -10.724 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.382 -1.181 -10.138 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.313 0.264 -10.286 1.00 0.00 C ATOM 1186 C GLU B 5 -0.847 0.683 -11.658 1.00 0.00 C ATOM 1187 O GLU B 5 -0.313 1.598 -12.282 1.00 0.00 O ATOM 1188 CB GLU B 5 1.116 0.769 -10.077 1.00 0.00 C ATOM 1189 CG GLU B 5 1.979 0.499 -11.310 1.00 0.00 C ATOM 1190 CD GLU B 5 2.849 1.713 -11.646 1.00 0.00 C ATOM 1191 OE1 GLU B 5 4.083 1.635 -11.557 1.00 0.00 O ATOM 1192 OE2 GLU B 5 2.199 2.765 -12.013 1.00 0.00 O ATOM 0 H GLU B 5 0.306 -1.699 -10.684 1.00 0.00 H new ATOM 0 HA GLU B 5 -0.940 0.719 -9.519 1.00 0.00 H new ATOM 0 HB2 GLU B 5 1.100 1.838 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.555 0.280 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.613 -0.369 -11.132 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.340 0.258 -12.160 1.00 0.00 H new ATOM 1200 N SER B 6 -1.894 -0.007 -12.084 1.00 0.00 N ATOM 1201 CA SER B 6 -2.506 0.282 -13.371 1.00 0.00 C ATOM 1202 C SER B 6 -3.983 -0.116 -13.350 1.00 0.00 C ATOM 1203 O SER B 6 -4.660 -0.061 -14.374 1.00 0.00 O ATOM 1204 CB SER B 6 -1.778 -0.444 -14.503 1.00 0.00 C ATOM 1205 OG SER B 6 -2.427 -0.262 -15.759 1.00 0.00 O ATOM 0 H SER B 6 -2.334 -0.765 -11.562 1.00 0.00 H new ATOM 0 HA SER B 6 -2.427 1.354 -13.553 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.753 -0.078 -14.568 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.723 -1.508 -14.274 1.00 0.00 H new ATOM 0 HG SER B 6 -3.335 0.076 -15.612 1.00 0.00 H new ATOM 1211 N SER B 7 -4.439 -0.511 -12.169 1.00 0.00 N ATOM 1212 CA SER B 7 -5.824 -0.920 -12.000 1.00 0.00 C ATOM 1213 C SER B 7 -6.081 -1.305 -10.542 1.00 0.00 C ATOM 1214 O SER B 7 -5.143 -1.561 -9.789 1.00 0.00 O ATOM 1215 CB SER B 7 -6.169 -2.086 -12.927 1.00 0.00 C ATOM 1216 OG SER B 7 -7.169 -2.935 -12.367 1.00 0.00 O ATOM 0 H SER B 7 -3.874 -0.556 -11.321 1.00 0.00 H new ATOM 0 HA SER B 7 -6.465 -0.079 -12.265 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.517 -1.698 -13.884 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.270 -2.668 -13.128 1.00 0.00 H new ATOM 0 HG SER B 7 -8.018 -2.448 -12.311 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.358 -1.335 -10.188 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.751 -1.685 -8.834 1.00 0.00 C ATOM 1224 C LEU B 8 -8.769 -2.826 -8.882 1.00 0.00 C ATOM 1225 O LEU B 8 -8.921 -3.568 -7.912 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.247 -0.447 -8.084 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.229 -0.537 -6.555 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.429 -1.336 -6.041 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.903 -1.110 -6.055 1.00 0.00 C ATOM 0 H LEU B 8 -8.133 -1.123 -10.816 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.893 -2.048 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.637 0.405 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.268 -0.237 -8.404 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.315 0.472 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.394 -1.386 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.352 -0.847 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.397 -2.345 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.917 -1.163 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.761 -2.110 -6.465 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.084 -0.466 -6.376 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.442 -2.928 -10.019 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.442 -3.965 -10.204 1.00 0.00 C ATOM 1243 C GLU B 9 -9.776 -5.276 -10.626 1.00 0.00 C ATOM 1244 O GLU B 9 -8.803 -5.269 -11.379 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.496 -3.532 -11.226 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.093 -2.173 -10.856 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.600 -2.283 -10.616 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -14.258 -3.160 -11.196 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -14.085 -1.417 -9.793 1.00 0.00 O ATOM 0 H GLU B 9 -9.314 -2.310 -10.820 1.00 0.00 H new ATOM 0 HA GLU B 9 -10.949 -4.128 -9.253 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.046 -3.478 -12.217 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.288 -4.279 -11.276 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.605 -1.790 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -11.900 -1.457 -11.655 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.340 -6.400 -10.109 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.811 -7.717 -10.423 1.00 0.00 C ATOM 1259 C PRO B 10 -10.194 -8.136 -11.844 1.00 0.00 C ATOM 1260 O PRO B 10 -10.473 -9.308 -12.095 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.384 -8.636 -9.357 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.575 -7.899 -8.766 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.492 -6.448 -9.214 1.00 0.00 C ATOM 0 HA PRO B 10 -8.721 -7.747 -10.411 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.689 -9.590 -9.787 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.641 -8.855 -8.590 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.509 -8.350 -9.102 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.563 -7.964 -7.678 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.404 -6.139 -9.726 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.361 -5.778 -8.364 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.195 -7.157 -12.736 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.540 -7.410 -14.125 1.00 0.00 C ATOM 1273 C TRP B 11 -9.539 -6.658 -15.005 1.00 0.00 C ATOM 1274 O TRP B 11 -9.140 -7.152 -16.057 1.00 0.00 O ATOM 1275 CB TRP B 11 -11.993 -7.025 -14.408 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.736 -8.015 -15.307 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.359 -9.146 -14.950 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -12.910 -7.916 -16.737 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.919 -9.781 -16.040 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -13.637 -9.008 -17.161 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -12.466 -6.935 -17.640 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -13.986 -9.225 -18.499 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -12.822 -7.165 -18.974 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -13.554 -8.261 -19.418 1.00 0.00 C ATOM 0 H TRP B 11 -9.962 -6.187 -12.524 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.472 -8.474 -14.352 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.526 -6.939 -13.461 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.013 -6.040 -14.875 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -13.416 -9.515 -13.936 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -14.443 -10.656 -16.026 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -11.895 -6.072 -17.329 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -14.557 -10.089 -18.806 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -12.506 -6.441 -19.710 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -13.788 -8.368 -20.467 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.166 -5.475 -14.541 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.219 -4.650 -15.273 1.00 0.00 C ATOM 1297 C TYR B 12 -6.800 -4.828 -14.731 1.00 0.00 C ATOM 1298 O TYR B 12 -5.828 -4.710 -15.475 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.661 -3.201 -15.047 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.165 -2.975 -15.212 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -10.864 -3.670 -16.178 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.822 -2.079 -14.395 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.281 -3.459 -16.332 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -12.237 -1.866 -14.550 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.896 -2.567 -15.511 1.00 0.00 C ATOM 1306 OH TYR B 12 -14.235 -2.366 -15.657 1.00 0.00 O ATOM 0 H TYR B 12 -9.502 -5.068 -13.668 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.206 -4.925 -16.328 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.366 -2.895 -14.043 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.128 -2.556 -15.746 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -10.349 -4.371 -16.818 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -10.274 -1.537 -13.638 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -12.841 -3.997 -17.082 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -12.763 -1.166 -13.918 1.00 0.00 H new ATOM 0 HH TYR B 12 -14.674 -2.440 -14.784 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.725 -5.117 -13.404 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.440 -5.315 -12.753 1.00 0.00 C ATOM 1318 C PRO B 13 -4.843 -6.673 -13.119 1.00 0.00 C ATOM 1319 O PRO B 13 -3.651 -6.775 -13.409 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.727 -5.172 -11.267 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.227 -5.363 -11.112 1.00 0.00 C ATOM 1322 CD PRO B 13 -7.855 -5.265 -12.493 1.00 0.00 C ATOM 0 HA PRO B 13 -4.690 -4.591 -13.072 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.177 -5.915 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.418 -4.192 -10.902 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.444 -6.332 -10.662 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.642 -4.604 -10.449 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.438 -6.156 -12.727 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.532 -4.414 -12.561 1.00 0.00 H new ATOM 1330 N ASP B 14 -5.697 -7.686 -13.093 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.269 -9.036 -13.418 1.00 0.00 C ATOM 1332 C ASP B 14 -6.492 -9.884 -13.772 1.00 0.00 C ATOM 1333 O ASP B 14 -7.555 -9.348 -14.078 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.565 -9.693 -12.228 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.680 -11.217 -12.170 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.132 -11.785 -11.165 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.277 -11.834 -13.228 1.00 0.00 O ATOM 0 H ASP B 14 -6.684 -7.599 -12.852 1.00 0.00 H new ATOM 0 HA ASP B 14 -4.577 -8.977 -14.258 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.509 -9.424 -12.256 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -4.975 -9.277 -11.308 1.00 0.00 H new