USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 1 ILE N :NH3+ 135:sc= 0.0295 (180deg=-0.199) USER MOD Set 1.2: A 12 SER OG : rot -110:sc= -1.21 USER MOD Single : A 4 HIS : no HE2:sc= -8.36! C(o=-8.4!,f=-8!) USER MOD Single : A 5 THR OG1 : rot 120:sc= -3.56! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 47:sc= 0.102 USER MOD Single : A 15 THR OG1 : rot 17:sc= -1.99 USER MOD Single : A 21 ASN : amide:sc= -4.34! C(o=-4.3!,f=-1.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 139:sc= 0.96 (180deg=0.137) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.278 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.144 (180deg=-0.511) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -149:sc= -0.171 (180deg=-0.68) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -14:sc= 0.662 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.282 (180deg=-1.08) USER MOD Single : A 66 ASN : amide:sc= -5.5! C(o=-5.5!,f=-16!) USER MOD Single : A 68 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-4.6!) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.0155 (180deg=-0.175) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -3.442 12.133 1.852 1.00 0.00 N ATOM 2 CA ILE A 1 -3.058 10.727 1.568 1.00 0.00 C ATOM 3 C ILE A 1 -2.855 9.947 2.865 1.00 0.00 C ATOM 4 O ILE A 1 -2.658 10.536 3.927 1.00 0.00 O ATOM 5 CB ILE A 1 -1.769 10.660 0.723 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.461 9.215 0.328 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.599 11.271 1.482 1.00 0.00 C ATOM 8 CD1 ILE A 1 -0.594 9.099 -0.905 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.893 12.773 1.243 1.00 0.00 H new ATOM 0 H2 ILE A 1 -4.457 12.261 1.663 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.245 12.352 2.850 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.873 10.276 1.002 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.924 11.238 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.964 8.717 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -2.398 8.686 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 1 0.301 11.214 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.818 12.314 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.441 10.722 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -0.416 8.047 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.099 9.568 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 1 0.358 9.599 -0.728 1.00 0.00 H new ATOM 22 N VAL A 2 -2.915 8.622 2.774 1.00 0.00 N ATOM 23 CA VAL A 2 -2.748 7.774 3.951 1.00 0.00 C ATOM 24 C VAL A 2 -2.236 6.386 3.557 1.00 0.00 C ATOM 25 O VAL A 2 -1.975 6.129 2.381 1.00 0.00 O ATOM 26 CB VAL A 2 -4.083 7.659 4.728 1.00 0.00 C ATOM 27 CG1 VAL A 2 -4.933 6.498 4.230 1.00 0.00 C ATOM 28 CG2 VAL A 2 -3.839 7.540 6.222 1.00 0.00 C ATOM 0 H VAL A 2 -3.077 8.114 1.904 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.005 8.237 4.601 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.639 8.578 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.860 6.454 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.164 6.643 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.384 5.565 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.794 7.461 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.242 6.651 6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.306 8.423 6.575 1.00 0.00 H new ATOM 38 N CYS A 3 -2.099 5.493 4.542 1.00 0.00 N ATOM 39 CA CYS A 3 -1.626 4.130 4.283 1.00 0.00 C ATOM 40 C CYS A 3 -2.321 3.564 3.053 1.00 0.00 C ATOM 41 O CYS A 3 -1.695 3.298 2.027 1.00 0.00 O ATOM 42 CB CYS A 3 -1.902 3.225 5.488 1.00 0.00 C ATOM 43 SG CYS A 3 -0.892 3.590 6.961 1.00 0.00 S ATOM 0 H CYS A 3 -2.308 5.688 5.521 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.551 4.167 4.109 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.955 3.311 5.756 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.731 2.189 5.194 1.00 0.00 H new ATOM 48 N HIS A 4 -3.629 3.410 3.171 1.00 0.00 N ATOM 49 CA HIS A 4 -4.458 2.907 2.088 1.00 0.00 C ATOM 50 C HIS A 4 -5.463 3.987 1.702 1.00 0.00 C ATOM 51 O HIS A 4 -5.122 5.168 1.721 1.00 0.00 O ATOM 52 CB HIS A 4 -5.150 1.610 2.516 1.00 0.00 C ATOM 53 CG HIS A 4 -4.551 1.032 3.749 1.00 0.00 C ATOM 54 ND1 HIS A 4 -4.631 1.667 4.957 1.00 0.00 N ATOM 55 CD2 HIS A 4 -3.825 -0.087 3.953 1.00 0.00 C ATOM 56 CE1 HIS A 4 -3.982 0.969 5.865 1.00 0.00 C ATOM 57 NE2 HIS A 4 -3.480 -0.107 5.284 1.00 0.00 N ATOM 0 H HIS A 4 -4.147 3.630 4.022 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.847 2.673 1.216 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.209 1.805 2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -5.085 0.882 1.707 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.119 2.546 5.128 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.564 -0.827 3.211 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.877 1.231 6.908 1.00 0.00 H new ATOM 66 N THR A 5 -6.692 3.612 1.356 1.00 0.00 N ATOM 67 CA THR A 5 -7.696 4.597 0.982 1.00 0.00 C ATOM 68 C THR A 5 -8.971 3.919 0.485 1.00 0.00 C ATOM 69 O THR A 5 -8.926 3.044 -0.380 1.00 0.00 O ATOM 70 CB THR A 5 -7.119 5.548 -0.076 1.00 0.00 C ATOM 71 OG1 THR A 5 -7.210 6.890 0.362 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.797 5.464 -1.430 1.00 0.00 C ATOM 0 H THR A 5 -7.012 2.644 1.328 1.00 0.00 H new ATOM 0 HA THR A 5 -7.964 5.180 1.863 1.00 0.00 H new ATOM 0 HB THR A 5 -6.084 5.229 -0.200 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.312 7.280 0.410 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.327 6.169 -2.116 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.698 4.453 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.853 5.710 -1.324 1.00 0.00 H new ATOM 80 N THR A 6 -10.106 4.331 1.041 1.00 0.00 N ATOM 81 CA THR A 6 -11.393 3.765 0.658 1.00 0.00 C ATOM 82 C THR A 6 -11.795 4.218 -0.743 1.00 0.00 C ATOM 83 O THR A 6 -12.571 3.545 -1.421 1.00 0.00 O ATOM 84 CB THR A 6 -12.471 4.170 1.666 1.00 0.00 C ATOM 85 OG1 THR A 6 -11.888 4.561 2.896 1.00 0.00 O ATOM 86 CG2 THR A 6 -13.462 3.065 1.959 1.00 0.00 C ATOM 0 H THR A 6 -10.160 5.055 1.758 1.00 0.00 H new ATOM 0 HA THR A 6 -11.296 2.679 0.654 1.00 0.00 H new ATOM 0 HB THR A 6 -13.003 5.000 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.594 4.818 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 6 -14.198 3.419 2.681 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.967 2.775 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.936 2.204 2.370 1.00 0.00 H new ATOM 94 N ALA A 7 -11.269 5.365 -1.171 1.00 0.00 N ATOM 95 CA ALA A 7 -11.583 5.903 -2.491 1.00 0.00 C ATOM 96 C ALA A 7 -13.092 5.990 -2.704 1.00 0.00 C ATOM 97 O ALA A 7 -13.734 5.006 -3.072 1.00 0.00 O ATOM 98 CB ALA A 7 -10.942 5.050 -3.575 1.00 0.00 C ATOM 0 H ALA A 7 -10.626 5.937 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.176 6.912 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.185 5.463 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.860 5.044 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.321 4.030 -3.507 1.00 0.00 H new ATOM 104 N THR A 8 -13.654 7.171 -2.468 1.00 0.00 N ATOM 105 CA THR A 8 -15.089 7.377 -2.633 1.00 0.00 C ATOM 106 C THR A 8 -15.449 8.855 -2.516 1.00 0.00 C ATOM 107 O THR A 8 -16.260 9.370 -3.286 1.00 0.00 O ATOM 108 CB THR A 8 -15.859 6.571 -1.587 1.00 0.00 C ATOM 109 OG1 THR A 8 -17.257 6.694 -1.788 1.00 0.00 O ATOM 110 CG2 THR A 8 -15.558 6.995 -0.166 1.00 0.00 C ATOM 0 H THR A 8 -13.140 7.998 -2.163 1.00 0.00 H new ATOM 0 HA THR A 8 -15.367 7.035 -3.630 1.00 0.00 H new ATOM 0 HB THR A 8 -15.532 5.539 -1.717 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.732 6.170 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.137 6.384 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.495 6.864 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.825 8.044 -0.035 1.00 0.00 H new ATOM 118 N SER A 9 -14.841 9.531 -1.548 1.00 0.00 N ATOM 119 CA SER A 9 -15.096 10.951 -1.329 1.00 0.00 C ATOM 120 C SER A 9 -13.969 11.585 -0.517 1.00 0.00 C ATOM 121 O SER A 9 -13.254 12.455 -1.014 1.00 0.00 O ATOM 122 CB SER A 9 -16.439 11.148 -0.623 1.00 0.00 C ATOM 123 OG SER A 9 -17.435 11.581 -1.533 1.00 0.00 O ATOM 0 H SER A 9 -14.168 9.119 -0.902 1.00 0.00 H new ATOM 0 HA SER A 9 -15.136 11.445 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.749 10.213 -0.157 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.329 11.881 0.176 1.00 0.00 H new ATOM 0 HG SER A 9 -17.407 11.023 -2.338 1.00 0.00 H new ATOM 129 N PRO A 10 -13.789 11.160 0.748 1.00 0.00 N ATOM 130 CA PRO A 10 -12.735 11.701 1.609 1.00 0.00 C ATOM 131 C PRO A 10 -11.361 11.158 1.235 1.00 0.00 C ATOM 132 O PRO A 10 -10.397 11.913 1.112 1.00 0.00 O ATOM 133 CB PRO A 10 -13.140 11.224 3.003 1.00 0.00 C ATOM 134 CG PRO A 10 -13.897 9.962 2.766 1.00 0.00 C ATOM 135 CD PRO A 10 -14.589 10.126 1.437 1.00 0.00 C ATOM 0 HA PRO A 10 -12.648 12.784 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.266 11.050 3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.756 11.966 3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.226 9.103 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.621 9.788 3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.604 9.192 0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.626 10.439 1.562 1.00 0.00 H new ATOM 143 N ILE A 11 -11.283 9.843 1.049 1.00 0.00 N ATOM 144 CA ILE A 11 -10.032 9.190 0.682 1.00 0.00 C ATOM 145 C ILE A 11 -8.960 9.413 1.741 1.00 0.00 C ATOM 146 O ILE A 11 -8.684 10.547 2.134 1.00 0.00 O ATOM 147 CB ILE A 11 -9.509 9.697 -0.674 1.00 0.00 C ATOM 148 CG1 ILE A 11 -10.640 9.729 -1.705 1.00 0.00 C ATOM 149 CG2 ILE A 11 -8.364 8.823 -1.161 1.00 0.00 C ATOM 150 CD1 ILE A 11 -11.109 11.126 -2.043 1.00 0.00 C ATOM 0 H ILE A 11 -12.075 9.208 1.147 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.246 8.124 0.606 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.135 10.712 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.303 9.237 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.484 9.153 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.005 9.195 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.551 8.850 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.713 7.797 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.911 11.072 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.477 11.615 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.278 11.700 -2.453 1.00 0.00 H new ATOM 162 N SER A 12 -8.351 8.326 2.197 1.00 0.00 N ATOM 163 CA SER A 12 -7.302 8.408 3.207 1.00 0.00 C ATOM 164 C SER A 12 -7.808 9.092 4.478 1.00 0.00 C ATOM 165 O SER A 12 -8.838 9.765 4.467 1.00 0.00 O ATOM 166 CB SER A 12 -6.093 9.163 2.642 1.00 0.00 C ATOM 167 OG SER A 12 -5.687 10.218 3.499 1.00 0.00 O ATOM 0 H SER A 12 -8.564 7.379 1.885 1.00 0.00 H new ATOM 0 HA SER A 12 -7.002 7.394 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.264 8.469 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.342 9.567 1.661 1.00 0.00 H new ATOM 0 HG SER A 12 -5.894 11.079 3.079 1.00 0.00 H new ATOM 173 N ALA A 13 -7.067 8.914 5.569 1.00 0.00 N ATOM 174 CA ALA A 13 -7.424 9.513 6.849 1.00 0.00 C ATOM 175 C ALA A 13 -6.189 10.048 7.573 1.00 0.00 C ATOM 176 O ALA A 13 -6.184 10.176 8.799 1.00 0.00 O ATOM 177 CB ALA A 13 -8.148 8.497 7.721 1.00 0.00 C ATOM 0 H ALA A 13 -6.213 8.357 5.590 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.090 10.353 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.409 8.956 8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.056 8.166 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.498 7.640 7.897 1.00 0.00 H new ATOM 183 N VAL A 14 -5.145 10.364 6.808 1.00 0.00 N ATOM 184 CA VAL A 14 -3.903 10.890 7.373 1.00 0.00 C ATOM 185 C VAL A 14 -3.149 9.820 8.158 1.00 0.00 C ATOM 186 O VAL A 14 -3.752 9.022 8.875 1.00 0.00 O ATOM 187 CB VAL A 14 -4.169 12.095 8.297 1.00 0.00 C ATOM 188 CG1 VAL A 14 -2.861 12.762 8.695 1.00 0.00 C ATOM 189 CG2 VAL A 14 -5.103 13.091 7.623 1.00 0.00 C ATOM 0 H VAL A 14 -5.135 10.265 5.793 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.292 11.213 6.531 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.656 11.734 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.069 13.610 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.232 12.044 9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.343 13.110 7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.279 13.934 8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.648 13.448 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.051 12.604 7.396 1.00 0.00 H new ATOM 199 N THR A 15 -1.824 9.808 8.015 1.00 0.00 N ATOM 200 CA THR A 15 -0.985 8.835 8.710 1.00 0.00 C ATOM 201 C THR A 15 0.371 9.433 9.079 1.00 0.00 C ATOM 202 O THR A 15 0.639 9.721 10.245 1.00 0.00 O ATOM 203 CB THR A 15 -0.777 7.594 7.844 1.00 0.00 C ATOM 204 OG1 THR A 15 -0.808 7.935 6.466 1.00 0.00 O ATOM 205 CG2 THR A 15 -1.811 6.514 8.094 1.00 0.00 C ATOM 0 H THR A 15 -1.310 10.461 7.424 1.00 0.00 H new ATOM 0 HA THR A 15 -1.500 8.554 9.628 1.00 0.00 H new ATOM 0 HB THR A 15 0.200 7.198 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.686 8.902 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.608 5.660 7.448 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.764 6.200 9.137 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.805 6.905 7.877 1.00 0.00 H new ATOM 213 N CYS A 16 1.229 9.603 8.076 1.00 0.00 N ATOM 214 CA CYS A 16 2.567 10.149 8.288 1.00 0.00 C ATOM 215 C CYS A 16 2.630 11.636 7.917 1.00 0.00 C ATOM 216 O CYS A 16 1.631 12.221 7.501 1.00 0.00 O ATOM 217 CB CYS A 16 3.585 9.350 7.468 1.00 0.00 C ATOM 218 SG CYS A 16 4.813 8.454 8.475 1.00 0.00 S ATOM 0 H CYS A 16 1.020 9.370 7.105 1.00 0.00 H new ATOM 0 HA CYS A 16 2.809 10.064 9.347 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.051 8.634 6.844 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.109 10.030 6.796 1.00 0.00 H new ATOM 223 N PRO A 17 3.813 12.268 8.074 1.00 0.00 N ATOM 224 CA PRO A 17 4.004 13.693 7.762 1.00 0.00 C ATOM 225 C PRO A 17 3.471 14.079 6.381 1.00 0.00 C ATOM 226 O PRO A 17 3.361 13.237 5.492 1.00 0.00 O ATOM 227 CB PRO A 17 5.523 13.861 7.812 1.00 0.00 C ATOM 228 CG PRO A 17 5.980 12.818 8.770 1.00 0.00 C ATOM 229 CD PRO A 17 5.056 11.647 8.576 1.00 0.00 C ATOM 0 HA PRO A 17 3.460 14.333 8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.971 13.720 6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.801 14.859 8.149 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.015 12.536 8.576 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.937 13.184 9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.462 10.929 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.888 11.110 9.509 1.00 0.00 H new ATOM 237 N PRO A 18 3.131 15.368 6.191 1.00 0.00 N ATOM 238 CA PRO A 18 2.600 15.877 4.918 1.00 0.00 C ATOM 239 C PRO A 18 3.428 15.456 3.706 1.00 0.00 C ATOM 240 O PRO A 18 4.397 14.705 3.828 1.00 0.00 O ATOM 241 CB PRO A 18 2.659 17.394 5.098 1.00 0.00 C ATOM 242 CG PRO A 18 2.534 17.601 6.567 1.00 0.00 C ATOM 243 CD PRO A 18 3.231 16.432 7.210 1.00 0.00 C ATOM 0 HA PRO A 18 1.603 15.485 4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.595 17.803 4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.852 17.889 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.992 18.543 6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.487 17.645 6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.269 16.665 7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.749 16.141 8.143 1.00 0.00 H new ATOM 251 N GLY A 19 3.030 15.944 2.532 1.00 0.00 N ATOM 252 CA GLY A 19 3.730 15.612 1.303 1.00 0.00 C ATOM 253 C GLY A 19 2.966 14.600 0.472 1.00 0.00 C ATOM 254 O GLY A 19 1.926 14.103 0.902 1.00 0.00 O ATOM 0 H GLY A 19 2.231 16.566 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.886 16.518 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.716 15.214 1.543 1.00 0.00 H new ATOM 258 N GLU A 20 3.480 14.284 -0.717 1.00 0.00 N ATOM 259 CA GLU A 20 2.827 13.313 -1.594 1.00 0.00 C ATOM 260 C GLU A 20 2.461 12.057 -0.804 1.00 0.00 C ATOM 261 O GLU A 20 1.372 11.971 -0.237 1.00 0.00 O ATOM 262 CB GLU A 20 3.740 12.957 -2.771 1.00 0.00 C ATOM 263 CG GLU A 20 3.783 14.020 -3.854 1.00 0.00 C ATOM 264 CD GLU A 20 4.733 13.664 -4.981 1.00 0.00 C ATOM 265 OE1 GLU A 20 5.716 12.939 -4.720 1.00 0.00 O ATOM 266 OE2 GLU A 20 4.495 14.110 -6.123 1.00 0.00 O ATOM 0 H GLU A 20 4.340 14.683 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 20 1.914 13.757 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.750 12.790 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.403 12.018 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.781 14.162 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.086 14.970 -3.414 1.00 0.00 H new ATOM 273 N ASN A 21 3.378 11.098 -0.746 1.00 0.00 N ATOM 274 CA ASN A 21 3.142 9.872 0.002 1.00 0.00 C ATOM 275 C ASN A 21 3.298 10.132 1.498 1.00 0.00 C ATOM 276 O ASN A 21 4.190 10.864 1.925 1.00 0.00 O ATOM 277 CB ASN A 21 4.091 8.744 -0.439 1.00 0.00 C ATOM 278 CG ASN A 21 5.399 9.240 -1.034 1.00 0.00 C ATOM 279 OD1 ASN A 21 5.886 8.699 -2.027 1.00 0.00 O ATOM 280 ND2 ASN A 21 5.975 10.271 -0.428 1.00 0.00 N ATOM 0 H ASN A 21 4.287 11.146 -1.206 1.00 0.00 H new ATOM 0 HA ASN A 21 2.122 9.548 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.311 8.110 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.582 8.120 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.855 10.644 -0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.537 10.690 0.393 1.00 0.00 H new ATOM 287 N LEU A 22 2.428 9.514 2.284 1.00 0.00 N ATOM 288 CA LEU A 22 2.453 9.647 3.733 1.00 0.00 C ATOM 289 C LEU A 22 2.749 8.286 4.325 1.00 0.00 C ATOM 290 O LEU A 22 3.832 8.036 4.854 1.00 0.00 O ATOM 291 CB LEU A 22 1.104 10.163 4.246 1.00 0.00 C ATOM 292 CG LEU A 22 1.048 11.661 4.542 1.00 0.00 C ATOM 293 CD1 LEU A 22 1.439 12.470 3.313 1.00 0.00 C ATOM 294 CD2 LEU A 22 -0.340 12.055 5.024 1.00 0.00 C ATOM 0 H LEU A 22 1.686 8.907 1.935 1.00 0.00 H new ATOM 0 HA LEU A 22 3.221 10.362 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.338 9.926 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.848 9.620 5.156 1.00 0.00 H new ATOM 0 HG LEU A 22 1.764 11.881 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.392 13.533 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.454 12.209 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.751 12.247 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.363 13.125 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.074 11.818 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.579 11.505 5.934 1.00 0.00 H new ATOM 306 N CYS A 23 1.785 7.393 4.167 1.00 0.00 N ATOM 307 CA CYS A 23 1.928 6.026 4.612 1.00 0.00 C ATOM 308 C CYS A 23 1.805 5.125 3.406 1.00 0.00 C ATOM 309 O CYS A 23 0.749 5.032 2.781 1.00 0.00 O ATOM 310 CB CYS A 23 0.888 5.663 5.657 1.00 0.00 C ATOM 311 SG CYS A 23 0.966 3.932 6.220 1.00 0.00 S ATOM 0 H CYS A 23 0.888 7.599 3.728 1.00 0.00 H new ATOM 0 HA CYS A 23 2.903 5.901 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.011 6.319 6.519 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.104 5.856 5.248 1.00 0.00 H new ATOM 316 N TYR A 24 2.904 4.507 3.059 1.00 0.00 N ATOM 317 CA TYR A 24 2.950 3.647 1.897 1.00 0.00 C ATOM 318 C TYR A 24 2.533 2.229 2.220 1.00 0.00 C ATOM 319 O TYR A 24 2.542 1.799 3.374 1.00 0.00 O ATOM 320 CB TYR A 24 4.354 3.662 1.290 1.00 0.00 C ATOM 321 CG TYR A 24 5.377 2.907 2.108 1.00 0.00 C ATOM 322 CD1 TYR A 24 5.434 1.521 2.066 1.00 0.00 C ATOM 323 CD2 TYR A 24 6.285 3.575 2.917 1.00 0.00 C ATOM 324 CE1 TYR A 24 6.367 0.820 2.805 1.00 0.00 C ATOM 325 CE2 TYR A 24 7.222 2.882 3.663 1.00 0.00 C ATOM 326 CZ TYR A 24 7.259 1.504 3.602 1.00 0.00 C ATOM 327 OH TYR A 24 8.191 0.810 4.339 1.00 0.00 O ATOM 0 H TYR A 24 3.786 4.582 3.566 1.00 0.00 H new ATOM 0 HA TYR A 24 2.236 4.036 1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.312 3.232 0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.681 4.696 1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.736 0.980 1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.260 4.654 2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.397 -0.259 2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.921 3.417 4.290 1.00 0.00 H new ATOM 0 HH TYR A 24 8.744 1.441 4.845 1.00 0.00 H new ATOM 337 N ARG A 25 2.186 1.509 1.172 1.00 0.00 N ATOM 338 CA ARG A 25 1.778 0.124 1.289 1.00 0.00 C ATOM 339 C ARG A 25 2.915 -0.752 0.768 1.00 0.00 C ATOM 340 O ARG A 25 3.720 -0.291 -0.036 1.00 0.00 O ATOM 341 CB ARG A 25 0.488 -0.119 0.484 1.00 0.00 C ATOM 342 CG ARG A 25 -0.725 0.693 0.960 1.00 0.00 C ATOM 343 CD ARG A 25 -1.583 -0.071 1.963 1.00 0.00 C ATOM 344 NE ARG A 25 -1.591 -1.521 1.734 1.00 0.00 N ATOM 345 CZ ARG A 25 -2.683 -2.245 1.470 1.00 0.00 C ATOM 346 NH1 ARG A 25 -3.860 -1.663 1.296 1.00 0.00 N ATOM 347 NH2 ARG A 25 -2.590 -3.562 1.361 1.00 0.00 N ATOM 0 H ARG A 25 2.179 1.867 0.217 1.00 0.00 H new ATOM 0 HA ARG A 25 1.570 -0.123 2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.679 0.117 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.240 -1.179 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.380 1.622 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.335 0.967 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.217 0.129 2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.606 0.303 1.915 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.698 -2.012 1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.942 -0.649 1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.684 -2.229 1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.687 -4.021 1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.422 -4.117 1.160 1.00 0.00 H new ATOM 361 N LYS A 26 2.995 -1.997 1.225 1.00 0.00 N ATOM 362 CA LYS A 26 4.059 -2.900 0.783 1.00 0.00 C ATOM 363 C LYS A 26 3.593 -4.346 0.799 1.00 0.00 C ATOM 364 O LYS A 26 2.698 -4.706 1.558 1.00 0.00 O ATOM 365 CB LYS A 26 5.304 -2.743 1.661 1.00 0.00 C ATOM 366 CG LYS A 26 4.998 -2.602 3.143 1.00 0.00 C ATOM 367 CD LYS A 26 5.979 -3.392 3.995 1.00 0.00 C ATOM 368 CE LYS A 26 5.479 -3.546 5.424 1.00 0.00 C ATOM 369 NZ LYS A 26 6.582 -3.422 6.416 1.00 0.00 N ATOM 0 H LYS A 26 2.343 -2.404 1.896 1.00 0.00 H new ATOM 0 HA LYS A 26 4.314 -2.631 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.952 -3.607 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.862 -1.867 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.036 -1.550 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.983 -2.948 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.134 -4.377 3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.946 -2.889 3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.722 -2.789 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.997 -4.517 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.255 -2.864 7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.868 -4.369 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.394 -2.946 5.974 1.00 0.00 H new ATOM 383 N MET A 27 4.189 -5.176 -0.055 1.00 0.00 N ATOM 384 CA MET A 27 3.804 -6.587 -0.120 1.00 0.00 C ATOM 385 C MET A 27 4.958 -7.509 0.297 1.00 0.00 C ATOM 386 O MET A 27 5.922 -7.074 0.921 1.00 0.00 O ATOM 387 CB MET A 27 3.341 -6.929 -1.539 1.00 0.00 C ATOM 388 CG MET A 27 4.462 -6.959 -2.567 1.00 0.00 C ATOM 389 SD MET A 27 4.069 -7.994 -3.990 1.00 0.00 S ATOM 390 CE MET A 27 3.031 -6.884 -4.938 1.00 0.00 C ATOM 0 H MET A 27 4.929 -4.904 -0.702 1.00 0.00 H new ATOM 0 HA MET A 27 2.985 -6.748 0.582 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.849 -7.902 -1.525 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.595 -6.199 -1.852 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.666 -5.943 -2.906 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.373 -7.327 -2.095 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.706 -7.381 -5.852 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.159 -6.607 -4.346 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.596 -5.987 -5.194 1.00 0.00 H new ATOM 400 N TRP A 28 4.843 -8.788 -0.058 1.00 0.00 N ATOM 401 CA TRP A 28 5.867 -9.783 0.261 1.00 0.00 C ATOM 402 C TRP A 28 6.184 -9.835 1.754 1.00 0.00 C ATOM 403 O TRP A 28 7.219 -10.372 2.152 1.00 0.00 O ATOM 404 CB TRP A 28 7.146 -9.494 -0.524 1.00 0.00 C ATOM 405 CG TRP A 28 8.120 -10.631 -0.504 1.00 0.00 C ATOM 406 CD1 TRP A 28 9.399 -10.607 -0.027 1.00 0.00 C ATOM 407 CD2 TRP A 28 7.891 -11.962 -0.979 1.00 0.00 C ATOM 408 NE1 TRP A 28 9.980 -11.843 -0.177 1.00 0.00 N ATOM 409 CE2 TRP A 28 9.075 -12.692 -0.760 1.00 0.00 C ATOM 410 CE3 TRP A 28 6.801 -12.608 -1.570 1.00 0.00 C ATOM 411 CZ2 TRP A 28 9.198 -14.034 -1.109 1.00 0.00 C ATOM 412 CZ3 TRP A 28 6.925 -13.941 -1.915 1.00 0.00 C ATOM 413 CH2 TRP A 28 8.115 -14.641 -1.685 1.00 0.00 C ATOM 0 H TRP A 28 4.044 -9.162 -0.571 1.00 0.00 H new ATOM 0 HA TRP A 28 5.466 -10.755 -0.025 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.886 -9.265 -1.557 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.625 -8.606 -0.111 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.883 -9.743 0.405 1.00 0.00 H new ATOM 0 HE1 TRP A 28 10.930 -12.089 0.100 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.879 -12.076 -1.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 10.115 -14.577 -0.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.089 -14.451 -2.370 1.00 0.00 H new ATOM 0 HH2 TRP A 28 8.180 -15.681 -1.968 1.00 0.00 H new ATOM 424 N CYS A 29 5.295 -9.289 2.581 1.00 0.00 N ATOM 425 CA CYS A 29 5.495 -9.291 4.030 1.00 0.00 C ATOM 426 C CYS A 29 6.915 -8.867 4.402 1.00 0.00 C ATOM 427 O CYS A 29 7.686 -8.424 3.549 1.00 0.00 O ATOM 428 CB CYS A 29 5.191 -10.677 4.601 1.00 0.00 C ATOM 429 SG CYS A 29 3.528 -10.824 5.332 1.00 0.00 S ATOM 0 H CYS A 29 4.432 -8.841 2.275 1.00 0.00 H new ATOM 0 HA CYS A 29 4.807 -8.565 4.463 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.296 -11.417 3.808 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.934 -10.917 5.361 1.00 0.00 H new ATOM 434 N ASP A 30 7.253 -9.003 5.680 1.00 0.00 N ATOM 435 CA ASP A 30 8.578 -8.633 6.163 1.00 0.00 C ATOM 436 C ASP A 30 9.480 -9.858 6.266 1.00 0.00 C ATOM 437 O ASP A 30 10.626 -9.837 5.819 1.00 0.00 O ATOM 438 CB ASP A 30 8.472 -7.945 7.526 1.00 0.00 C ATOM 439 CG ASP A 30 8.076 -6.486 7.406 1.00 0.00 C ATOM 440 OD1 ASP A 30 7.002 -6.208 6.832 1.00 0.00 O ATOM 441 OD2 ASP A 30 8.839 -5.622 7.887 1.00 0.00 O ATOM 0 H ASP A 30 6.628 -9.367 6.399 1.00 0.00 H new ATOM 0 HA ASP A 30 9.019 -7.939 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.738 -8.469 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.429 -8.018 8.043 1.00 0.00 H new ATOM 446 N ALA A 31 8.954 -10.926 6.856 1.00 0.00 N ATOM 447 CA ALA A 31 9.711 -12.161 7.017 1.00 0.00 C ATOM 448 C ALA A 31 8.836 -13.271 7.590 1.00 0.00 C ATOM 449 O ALA A 31 8.749 -14.361 7.023 1.00 0.00 O ATOM 450 CB ALA A 31 10.920 -11.925 7.909 1.00 0.00 C ATOM 0 H ALA A 31 8.006 -10.961 7.231 1.00 0.00 H new ATOM 0 HA ALA A 31 10.056 -12.478 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.477 -12.855 8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.563 -11.169 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.588 -11.581 8.888 1.00 0.00 H new ATOM 456 N PHE A 32 8.189 -12.987 8.714 1.00 0.00 N ATOM 457 CA PHE A 32 7.320 -13.962 9.364 1.00 0.00 C ATOM 458 C PHE A 32 5.963 -14.030 8.669 1.00 0.00 C ATOM 459 O PHE A 32 4.985 -13.450 9.140 1.00 0.00 O ATOM 460 CB PHE A 32 7.132 -13.602 10.839 1.00 0.00 C ATOM 461 CG PHE A 32 6.793 -14.781 11.706 1.00 0.00 C ATOM 462 CD1 PHE A 32 5.488 -15.240 11.795 1.00 0.00 C ATOM 463 CD2 PHE A 32 7.780 -15.431 12.431 1.00 0.00 C ATOM 464 CE1 PHE A 32 5.173 -16.324 12.592 1.00 0.00 C ATOM 465 CE2 PHE A 32 7.470 -16.516 13.230 1.00 0.00 C ATOM 466 CZ PHE A 32 6.166 -16.964 13.310 1.00 0.00 C ATOM 0 H PHE A 32 8.249 -12.089 9.195 1.00 0.00 H new ATOM 0 HA PHE A 32 7.794 -14.941 9.292 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.046 -13.139 11.211 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.340 -12.858 10.925 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.709 -14.745 11.235 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.802 -15.086 12.371 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.152 -16.671 12.654 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.247 -17.013 13.791 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.923 -17.813 13.932 1.00 0.00 H new ATOM 476 N CYS A 33 5.913 -14.740 7.547 1.00 0.00 N ATOM 477 CA CYS A 33 4.676 -14.882 6.786 1.00 0.00 C ATOM 478 C CYS A 33 4.702 -16.143 5.929 1.00 0.00 C ATOM 479 O CYS A 33 4.127 -17.166 6.300 1.00 0.00 O ATOM 480 CB CYS A 33 4.453 -13.653 5.904 1.00 0.00 C ATOM 481 SG CYS A 33 3.759 -12.219 6.787 1.00 0.00 S ATOM 0 H CYS A 33 6.714 -15.226 7.144 1.00 0.00 H new ATOM 0 HA CYS A 33 3.852 -14.967 7.494 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.403 -13.364 5.455 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.783 -13.922 5.087 1.00 0.00 H new ATOM 486 N SER A 34 5.367 -16.065 4.778 1.00 0.00 N ATOM 487 CA SER A 34 5.457 -17.203 3.868 1.00 0.00 C ATOM 488 C SER A 34 4.083 -17.824 3.642 1.00 0.00 C ATOM 489 O SER A 34 3.963 -19.026 3.397 1.00 0.00 O ATOM 490 CB SER A 34 6.422 -18.253 4.423 1.00 0.00 C ATOM 491 OG SER A 34 7.734 -18.052 3.929 1.00 0.00 O ATOM 0 H SER A 34 5.850 -15.227 4.455 1.00 0.00 H new ATOM 0 HA SER A 34 5.836 -16.844 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.429 -18.205 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.076 -19.250 4.150 1.00 0.00 H new ATOM 0 HG SER A 34 8.331 -18.735 4.300 1.00 0.00 H new ATOM 497 N SER A 35 3.048 -16.996 3.733 1.00 0.00 N ATOM 498 CA SER A 35 1.679 -17.456 3.549 1.00 0.00 C ATOM 499 C SER A 35 1.122 -16.995 2.206 1.00 0.00 C ATOM 500 O SER A 35 1.690 -16.119 1.554 1.00 0.00 O ATOM 501 CB SER A 35 0.795 -16.938 4.686 1.00 0.00 C ATOM 502 OG SER A 35 -0.574 -17.213 4.436 1.00 0.00 O ATOM 0 H SER A 35 3.133 -16.000 3.934 1.00 0.00 H new ATOM 0 HA SER A 35 1.682 -18.546 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.096 -17.402 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.938 -15.864 4.801 1.00 0.00 H new ATOM 0 HG SER A 35 -1.117 -16.873 5.178 1.00 0.00 H new ATOM 508 N ARG A 36 0.007 -17.594 1.797 1.00 0.00 N ATOM 509 CA ARG A 36 -0.629 -17.249 0.531 1.00 0.00 C ATOM 510 C ARG A 36 -1.164 -15.821 0.562 1.00 0.00 C ATOM 511 O ARG A 36 -2.345 -15.595 0.824 1.00 0.00 O ATOM 512 CB ARG A 36 -1.767 -18.225 0.228 1.00 0.00 C ATOM 513 CG ARG A 36 -2.238 -18.182 -1.218 1.00 0.00 C ATOM 514 CD ARG A 36 -1.093 -18.432 -2.186 1.00 0.00 C ATOM 515 NE ARG A 36 -1.462 -19.368 -3.245 1.00 0.00 N ATOM 516 CZ ARG A 36 -0.585 -19.948 -4.063 1.00 0.00 C ATOM 517 NH1 ARG A 36 0.711 -19.688 -3.947 1.00 0.00 N ATOM 518 NH2 ARG A 36 -1.005 -20.790 -4.997 1.00 0.00 N ATOM 0 H ARG A 36 -0.475 -18.322 2.325 1.00 0.00 H new ATOM 0 HA ARG A 36 0.122 -17.319 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.439 -19.237 0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.610 -18.002 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.015 -18.931 -1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.686 -17.211 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.782 -17.487 -2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.236 -18.824 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.450 -19.591 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.039 -19.042 -3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.379 -20.134 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.000 -20.994 -5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.333 -21.234 -5.623 1.00 0.00 H new ATOM 532 N GLY A 37 -0.287 -14.859 0.293 1.00 0.00 N ATOM 533 CA GLY A 37 -0.694 -13.466 0.295 1.00 0.00 C ATOM 534 C GLY A 37 0.441 -12.528 -0.068 1.00 0.00 C ATOM 535 O GLY A 37 1.381 -12.351 0.707 1.00 0.00 O ATOM 0 H GLY A 37 0.696 -15.019 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.513 -13.329 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.076 -13.204 1.282 1.00 0.00 H new ATOM 539 N LYS A 38 0.352 -11.921 -1.249 1.00 0.00 N ATOM 540 CA LYS A 38 1.377 -10.992 -1.710 1.00 0.00 C ATOM 541 C LYS A 38 1.008 -9.557 -1.343 1.00 0.00 C ATOM 542 O LYS A 38 0.954 -8.677 -2.201 1.00 0.00 O ATOM 543 CB LYS A 38 1.567 -11.114 -3.224 1.00 0.00 C ATOM 544 CG LYS A 38 0.264 -11.086 -4.007 1.00 0.00 C ATOM 545 CD LYS A 38 -0.172 -12.485 -4.413 1.00 0.00 C ATOM 546 CE LYS A 38 0.814 -13.118 -5.381 1.00 0.00 C ATOM 547 NZ LYS A 38 1.232 -12.169 -6.449 1.00 0.00 N ATOM 0 H LYS A 38 -0.419 -12.056 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 38 2.314 -11.247 -1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.205 -10.300 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.092 -12.044 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.515 -10.622 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.386 -10.469 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.264 -13.110 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.158 -12.440 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.693 -13.458 -4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.361 -13.999 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.677 -12.696 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.399 -11.660 -6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.913 -11.486 -6.060 1.00 0.00 H new ATOM 561 N VAL A 39 0.748 -9.336 -0.059 1.00 0.00 N ATOM 562 CA VAL A 39 0.375 -8.018 0.440 1.00 0.00 C ATOM 563 C VAL A 39 0.676 -7.906 1.930 1.00 0.00 C ATOM 564 O VAL A 39 0.362 -8.812 2.701 1.00 0.00 O ATOM 565 CB VAL A 39 -1.127 -7.749 0.218 1.00 0.00 C ATOM 566 CG1 VAL A 39 -1.518 -6.368 0.724 1.00 0.00 C ATOM 567 CG2 VAL A 39 -1.488 -7.912 -1.252 1.00 0.00 C ATOM 0 H VAL A 39 0.789 -10.059 0.660 1.00 0.00 H new ATOM 0 HA VAL A 39 0.959 -7.282 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.691 -8.484 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.582 -6.206 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.306 -6.298 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.946 -5.609 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.552 -7.718 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.911 -7.206 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.260 -8.929 -1.572 1.00 0.00 H new ATOM 577 N VAL A 40 1.276 -6.792 2.341 1.00 0.00 N ATOM 578 CA VAL A 40 1.593 -6.595 3.751 1.00 0.00 C ATOM 579 C VAL A 40 1.214 -5.194 4.255 1.00 0.00 C ATOM 580 O VAL A 40 1.133 -4.966 5.462 1.00 0.00 O ATOM 581 CB VAL A 40 3.077 -6.891 4.068 1.00 0.00 C ATOM 582 CG1 VAL A 40 4.004 -5.826 3.503 1.00 0.00 C ATOM 583 CG2 VAL A 40 3.278 -7.038 5.570 1.00 0.00 C ATOM 0 H VAL A 40 1.549 -6.023 1.728 1.00 0.00 H new ATOM 0 HA VAL A 40 0.980 -7.319 4.287 1.00 0.00 H new ATOM 0 HB VAL A 40 3.335 -7.832 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.036 -6.074 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.890 -5.782 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.751 -4.857 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.328 -7.246 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.986 -6.114 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.665 -7.860 5.940 1.00 0.00 H new ATOM 593 N GLU A 41 0.966 -4.270 3.328 1.00 0.00 N ATOM 594 CA GLU A 41 0.576 -2.900 3.671 1.00 0.00 C ATOM 595 C GLU A 41 1.477 -2.279 4.738 1.00 0.00 C ATOM 596 O GLU A 41 2.432 -2.896 5.209 1.00 0.00 O ATOM 597 CB GLU A 41 -0.886 -2.864 4.130 1.00 0.00 C ATOM 598 CG GLU A 41 -1.126 -3.499 5.490 1.00 0.00 C ATOM 599 CD GLU A 41 -2.481 -3.141 6.071 1.00 0.00 C ATOM 600 OE1 GLU A 41 -3.442 -2.996 5.287 1.00 0.00 O ATOM 601 OE2 GLU A 41 -2.580 -3.006 7.308 1.00 0.00 O ATOM 0 H GLU A 41 1.029 -4.446 2.325 1.00 0.00 H new ATOM 0 HA GLU A 41 0.692 -2.302 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.220 -1.827 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.501 -3.375 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.049 -4.582 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.344 -3.180 6.179 1.00 0.00 H new ATOM 608 N LEU A 42 1.151 -1.038 5.107 1.00 0.00 N ATOM 609 CA LEU A 42 1.900 -0.289 6.113 1.00 0.00 C ATOM 610 C LEU A 42 3.242 0.193 5.571 1.00 0.00 C ATOM 611 O LEU A 42 3.942 -0.544 4.881 1.00 0.00 O ATOM 612 CB LEU A 42 2.112 -1.137 7.372 1.00 0.00 C ATOM 613 CG LEU A 42 1.781 -0.435 8.690 1.00 0.00 C ATOM 614 CD1 LEU A 42 2.813 0.640 8.997 1.00 0.00 C ATOM 615 CD2 LEU A 42 0.383 0.165 8.639 1.00 0.00 C ATOM 0 H LEU A 42 0.360 -0.526 4.716 1.00 0.00 H new ATOM 0 HA LEU A 42 1.309 0.589 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.500 -2.036 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.152 -1.461 7.402 1.00 0.00 H new ATOM 0 HG LEU A 42 1.808 -1.175 9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.561 1.128 9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.800 0.184 9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.819 1.378 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.165 0.660 9.585 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.328 0.891 7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.347 -0.626 8.467 1.00 0.00 H new ATOM 627 N GLY A 43 3.593 1.438 5.889 1.00 0.00 N ATOM 628 CA GLY A 43 4.851 1.992 5.422 1.00 0.00 C ATOM 629 C GLY A 43 5.257 3.262 6.154 1.00 0.00 C ATOM 630 O GLY A 43 6.278 3.286 6.842 1.00 0.00 O ATOM 0 H GLY A 43 3.030 2.069 6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.636 1.245 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.773 2.204 4.356 1.00 0.00 H new ATOM 634 N CYS A 44 4.464 4.320 6.002 1.00 0.00 N ATOM 635 CA CYS A 44 4.759 5.595 6.651 1.00 0.00 C ATOM 636 C CYS A 44 6.114 6.128 6.211 1.00 0.00 C ATOM 637 O CYS A 44 7.040 6.265 7.011 1.00 0.00 O ATOM 638 CB CYS A 44 4.735 5.433 8.159 1.00 0.00 C ATOM 639 SG CYS A 44 3.844 6.758 9.038 1.00 0.00 S ATOM 0 H CYS A 44 3.615 4.320 5.437 1.00 0.00 H new ATOM 0 HA CYS A 44 3.993 6.311 6.354 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.274 4.476 8.403 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.761 5.395 8.526 1.00 0.00 H new ATOM 644 N ALA A 45 6.216 6.423 4.932 1.00 0.00 N ATOM 645 CA ALA A 45 7.461 6.943 4.369 1.00 0.00 C ATOM 646 C ALA A 45 7.216 7.759 3.114 1.00 0.00 C ATOM 647 O ALA A 45 6.400 7.397 2.268 1.00 0.00 O ATOM 648 CB ALA A 45 8.429 5.807 4.076 1.00 0.00 C ATOM 0 H ALA A 45 5.458 6.315 4.258 1.00 0.00 H new ATOM 0 HA ALA A 45 7.903 7.605 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.350 6.213 3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.654 5.274 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.977 5.120 3.361 1.00 0.00 H new ATOM 654 N ALA A 46 7.948 8.861 2.996 1.00 0.00 N ATOM 655 CA ALA A 46 7.831 9.730 1.839 1.00 0.00 C ATOM 656 C ALA A 46 8.800 9.309 0.763 1.00 0.00 C ATOM 657 O ALA A 46 9.524 10.132 0.202 1.00 0.00 O ATOM 658 CB ALA A 46 8.049 11.184 2.231 1.00 0.00 C ATOM 0 H ALA A 46 8.628 9.171 3.690 1.00 0.00 H new ATOM 0 HA ALA A 46 6.820 9.639 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.957 11.817 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.302 11.478 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.045 11.300 2.658 1.00 0.00 H new ATOM 664 N THR A 47 8.823 8.012 0.487 1.00 0.00 N ATOM 665 CA THR A 47 9.730 7.486 -0.515 1.00 0.00 C ATOM 666 C THR A 47 9.517 5.988 -0.742 1.00 0.00 C ATOM 667 O THR A 47 8.771 5.340 -0.009 1.00 0.00 O ATOM 668 CB THR A 47 11.150 7.801 -0.058 1.00 0.00 C ATOM 669 OG1 THR A 47 11.953 8.219 -1.149 1.00 0.00 O ATOM 670 CG2 THR A 47 11.859 6.651 0.630 1.00 0.00 C ATOM 0 H THR A 47 8.231 7.315 0.938 1.00 0.00 H new ATOM 0 HA THR A 47 9.539 7.955 -1.480 1.00 0.00 H new ATOM 0 HB THR A 47 11.028 8.599 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.859 8.417 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.862 6.964 0.921 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.299 6.357 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.927 5.804 -0.053 1.00 0.00 H new ATOM 678 N CYS A 48 10.166 5.451 -1.773 1.00 0.00 N ATOM 679 CA CYS A 48 10.033 4.034 -2.111 1.00 0.00 C ATOM 680 C CYS A 48 11.378 3.311 -2.027 1.00 0.00 C ATOM 681 O CYS A 48 12.154 3.320 -2.983 1.00 0.00 O ATOM 682 CB CYS A 48 9.447 3.867 -3.521 1.00 0.00 C ATOM 683 SG CYS A 48 9.040 5.432 -4.368 1.00 0.00 S ATOM 0 H CYS A 48 10.789 5.974 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 48 9.355 3.588 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.159 3.313 -4.133 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.544 3.260 -3.455 1.00 0.00 H new ATOM 688 N PRO A 49 11.670 2.669 -0.882 1.00 0.00 N ATOM 689 CA PRO A 49 12.919 1.940 -0.681 1.00 0.00 C ATOM 690 C PRO A 49 12.839 0.492 -1.164 1.00 0.00 C ATOM 691 O PRO A 49 11.787 -0.141 -1.090 1.00 0.00 O ATOM 692 CB PRO A 49 13.082 1.988 0.834 1.00 0.00 C ATOM 693 CG PRO A 49 11.685 1.955 1.361 1.00 0.00 C ATOM 694 CD PRO A 49 10.807 2.603 0.314 1.00 0.00 C ATOM 0 HA PRO A 49 13.749 2.372 -1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.664 1.141 1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.604 2.892 1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.368 0.930 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.616 2.490 2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.909 2.015 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.479 3.595 0.626 1.00 0.00 H new ATOM 702 N SER A 50 13.966 -0.027 -1.648 1.00 0.00 N ATOM 703 CA SER A 50 14.040 -1.403 -2.135 1.00 0.00 C ATOM 704 C SER A 50 13.171 -1.610 -3.385 1.00 0.00 C ATOM 705 O SER A 50 13.493 -1.094 -4.452 1.00 0.00 O ATOM 706 CB SER A 50 13.645 -2.379 -1.021 1.00 0.00 C ATOM 707 OG SER A 50 14.554 -2.309 0.064 1.00 0.00 O ATOM 0 H SER A 50 14.844 0.488 -1.713 1.00 0.00 H new ATOM 0 HA SER A 50 15.071 -1.604 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.638 -2.149 -0.672 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.621 -3.395 -1.415 1.00 0.00 H new ATOM 0 HG SER A 50 14.279 -2.940 0.762 1.00 0.00 H new ATOM 713 N LYS A 51 12.080 -2.374 -3.249 1.00 0.00 N ATOM 714 CA LYS A 51 11.172 -2.660 -4.366 1.00 0.00 C ATOM 715 C LYS A 51 11.929 -2.934 -5.669 1.00 0.00 C ATOM 716 O LYS A 51 12.000 -2.082 -6.553 1.00 0.00 O ATOM 717 CB LYS A 51 10.163 -1.519 -4.555 1.00 0.00 C ATOM 718 CG LYS A 51 10.775 -0.201 -5.010 1.00 0.00 C ATOM 719 CD LYS A 51 10.032 0.378 -6.205 1.00 0.00 C ATOM 720 CE LYS A 51 8.564 0.625 -5.889 1.00 0.00 C ATOM 721 NZ LYS A 51 7.708 0.500 -7.100 1.00 0.00 N ATOM 0 H LYS A 51 11.803 -2.808 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 51 10.627 -3.569 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.416 -1.829 -5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.639 -1.355 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.755 0.514 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.822 -0.356 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.502 1.314 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.112 -0.306 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.230 -0.086 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.447 1.621 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.716 0.675 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.010 1.196 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.800 -0.459 -7.493 1.00 0.00 H new ATOM 735 N LYS A 52 12.480 -4.143 -5.781 1.00 0.00 N ATOM 736 CA LYS A 52 13.219 -4.550 -6.975 1.00 0.00 C ATOM 737 C LYS A 52 13.302 -6.077 -7.060 1.00 0.00 C ATOM 738 O LYS A 52 12.689 -6.686 -7.935 1.00 0.00 O ATOM 739 CB LYS A 52 14.634 -3.937 -7.024 1.00 0.00 C ATOM 740 CG LYS A 52 15.070 -3.195 -5.761 1.00 0.00 C ATOM 741 CD LYS A 52 15.516 -1.775 -6.077 1.00 0.00 C ATOM 742 CE LYS A 52 16.809 -1.759 -6.876 1.00 0.00 C ATOM 743 NZ LYS A 52 17.818 -2.702 -6.318 1.00 0.00 N ATOM 0 H LYS A 52 12.428 -4.859 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 52 12.669 -4.171 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.350 -4.734 -7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.684 -3.247 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.245 -3.169 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.886 -3.736 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.734 -1.264 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.655 -1.221 -5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.599 -2.024 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.220 -0.749 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.774 -2.331 -6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.669 -2.804 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.717 -3.630 -6.777 1.00 0.00 H new ATOM 757 N PRO A 53 14.057 -6.724 -6.147 1.00 0.00 N ATOM 758 CA PRO A 53 14.194 -8.185 -6.139 1.00 0.00 C ATOM 759 C PRO A 53 12.879 -8.877 -5.800 1.00 0.00 C ATOM 760 O PRO A 53 12.386 -9.708 -6.565 1.00 0.00 O ATOM 761 CB PRO A 53 15.239 -8.448 -5.050 1.00 0.00 C ATOM 762 CG PRO A 53 15.195 -7.246 -4.171 1.00 0.00 C ATOM 763 CD PRO A 53 14.823 -6.090 -5.060 1.00 0.00 C ATOM 0 HA PRO A 53 14.482 -8.574 -7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.006 -9.354 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.231 -8.585 -5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.464 -7.374 -3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.161 -7.076 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 53 14.226 -5.350 -4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.706 -5.575 -5.439 1.00 0.00 H new ATOM 771 N TYR A 54 12.301 -8.512 -4.661 1.00 0.00 N ATOM 772 CA TYR A 54 11.025 -9.080 -4.230 1.00 0.00 C ATOM 773 C TYR A 54 9.881 -8.292 -4.858 1.00 0.00 C ATOM 774 O TYR A 54 8.801 -8.826 -5.108 1.00 0.00 O ATOM 775 CB TYR A 54 10.895 -9.071 -2.699 1.00 0.00 C ATOM 776 CG TYR A 54 12.159 -8.666 -1.970 1.00 0.00 C ATOM 777 CD1 TYR A 54 13.263 -9.508 -1.930 1.00 0.00 C ATOM 778 CD2 TYR A 54 12.247 -7.438 -1.325 1.00 0.00 C ATOM 779 CE1 TYR A 54 14.418 -9.139 -1.268 1.00 0.00 C ATOM 780 CE2 TYR A 54 13.399 -7.062 -0.663 1.00 0.00 C ATOM 781 CZ TYR A 54 14.482 -7.915 -0.637 1.00 0.00 C ATOM 782 OH TYR A 54 15.631 -7.544 0.022 1.00 0.00 O ATOM 0 H TYR A 54 12.695 -7.825 -4.018 1.00 0.00 H new ATOM 0 HA TYR A 54 10.982 -10.118 -4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.093 -8.389 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.599 -10.066 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.218 -10.467 -2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.401 -6.767 -1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.267 -9.806 -1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.452 -6.104 -0.168 1.00 0.00 H new ATOM 0 HH TYR A 54 15.511 -6.653 0.411 1.00 0.00 H new ATOM 792 N GLU A 55 10.149 -7.018 -5.125 1.00 0.00 N ATOM 793 CA GLU A 55 9.181 -6.125 -5.746 1.00 0.00 C ATOM 794 C GLU A 55 7.993 -5.826 -4.839 1.00 0.00 C ATOM 795 O GLU A 55 6.839 -6.010 -5.230 1.00 0.00 O ATOM 796 CB GLU A 55 8.699 -6.703 -7.074 1.00 0.00 C ATOM 797 CG GLU A 55 9.590 -6.327 -8.245 1.00 0.00 C ATOM 798 CD GLU A 55 8.858 -6.348 -9.573 1.00 0.00 C ATOM 799 OE1 GLU A 55 7.758 -5.761 -9.653 1.00 0.00 O ATOM 800 OE2 GLU A 55 9.384 -6.950 -10.531 1.00 0.00 O ATOM 0 H GLU A 55 11.045 -6.577 -4.916 1.00 0.00 H new ATOM 0 HA GLU A 55 9.692 -5.179 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.652 -7.789 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.685 -6.353 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.001 -5.331 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.433 -7.016 -8.290 1.00 0.00 H new ATOM 807 N GLU A 56 8.276 -5.325 -3.641 1.00 0.00 N ATOM 808 CA GLU A 56 7.229 -4.955 -2.705 1.00 0.00 C ATOM 809 C GLU A 56 6.400 -3.836 -3.321 1.00 0.00 C ATOM 810 O GLU A 56 6.445 -3.629 -4.532 1.00 0.00 O ATOM 811 CB GLU A 56 7.857 -4.493 -1.386 1.00 0.00 C ATOM 812 CG GLU A 56 7.596 -5.431 -0.223 1.00 0.00 C ATOM 813 CD GLU A 56 8.717 -5.421 0.798 1.00 0.00 C ATOM 814 OE1 GLU A 56 9.083 -4.324 1.269 1.00 0.00 O ATOM 815 OE2 GLU A 56 9.230 -6.512 1.126 1.00 0.00 O ATOM 0 H GLU A 56 9.224 -5.167 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 56 6.587 -5.811 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.933 -4.390 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.471 -3.504 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.663 -5.148 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.463 -6.445 -0.601 1.00 0.00 H new ATOM 822 N VAL A 57 5.659 -3.099 -2.507 1.00 0.00 N ATOM 823 CA VAL A 57 4.865 -2.005 -3.035 1.00 0.00 C ATOM 824 C VAL A 57 5.603 -0.681 -2.866 1.00 0.00 C ATOM 825 O VAL A 57 6.173 -0.150 -3.819 1.00 0.00 O ATOM 826 CB VAL A 57 3.480 -1.915 -2.378 1.00 0.00 C ATOM 827 CG1 VAL A 57 2.684 -0.744 -2.939 1.00 0.00 C ATOM 828 CG2 VAL A 57 2.728 -3.215 -2.564 1.00 0.00 C ATOM 0 H VAL A 57 5.592 -3.236 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 57 4.713 -2.208 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 57 3.617 -1.742 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.707 -0.703 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.221 0.185 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.553 -0.875 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.748 -3.139 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.605 -3.415 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.289 -4.029 -2.104 1.00 0.00 H new ATOM 838 N THR A 58 5.603 -0.171 -1.641 1.00 0.00 N ATOM 839 CA THR A 58 6.282 1.079 -1.313 1.00 0.00 C ATOM 840 C THR A 58 5.793 2.249 -2.166 1.00 0.00 C ATOM 841 O THR A 58 5.475 2.095 -3.345 1.00 0.00 O ATOM 842 CB THR A 58 7.795 0.920 -1.472 1.00 0.00 C ATOM 843 OG1 THR A 58 8.162 0.952 -2.839 1.00 0.00 O ATOM 844 CG2 THR A 58 8.329 -0.366 -0.879 1.00 0.00 C ATOM 0 H THR A 58 5.134 -0.609 -0.848 1.00 0.00 H new ATOM 0 HA THR A 58 6.043 1.307 -0.274 1.00 0.00 H new ATOM 0 HB THR A 58 8.232 1.757 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.362 0.845 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.408 -0.414 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.107 -0.394 0.188 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.857 -1.217 -1.370 1.00 0.00 H new ATOM 852 N CYS A 59 5.769 3.427 -1.552 1.00 0.00 N ATOM 853 CA CYS A 59 5.359 4.656 -2.224 1.00 0.00 C ATOM 854 C CYS A 59 3.880 4.666 -2.588 1.00 0.00 C ATOM 855 O CYS A 59 3.260 3.620 -2.775 1.00 0.00 O ATOM 856 CB CYS A 59 6.201 4.888 -3.480 1.00 0.00 C ATOM 857 SG CYS A 59 7.486 6.165 -3.292 1.00 0.00 S ATOM 0 H CYS A 59 6.033 3.557 -0.575 1.00 0.00 H new ATOM 0 HA CYS A 59 5.524 5.466 -1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.676 3.949 -3.764 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.540 5.171 -4.300 1.00 0.00 H new ATOM 862 N CYS A 60 3.338 5.877 -2.694 1.00 0.00 N ATOM 863 CA CYS A 60 1.940 6.086 -3.035 1.00 0.00 C ATOM 864 C CYS A 60 1.815 6.973 -4.270 1.00 0.00 C ATOM 865 O CYS A 60 2.047 8.179 -4.207 1.00 0.00 O ATOM 866 CB CYS A 60 1.210 6.740 -1.862 1.00 0.00 C ATOM 867 SG CYS A 60 1.035 5.681 -0.386 1.00 0.00 S ATOM 0 H CYS A 60 3.860 6.740 -2.545 1.00 0.00 H new ATOM 0 HA CYS A 60 1.490 5.117 -3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.744 7.647 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.217 7.044 -2.194 1.00 0.00 H new ATOM 872 N SER A 61 1.445 6.367 -5.391 1.00 0.00 N ATOM 873 CA SER A 61 1.286 7.100 -6.645 1.00 0.00 C ATOM 874 C SER A 61 0.401 8.333 -6.457 1.00 0.00 C ATOM 875 O SER A 61 0.541 9.326 -7.173 1.00 0.00 O ATOM 876 CB SER A 61 0.685 6.188 -7.716 1.00 0.00 C ATOM 877 OG SER A 61 1.260 6.444 -8.987 1.00 0.00 O ATOM 0 H SER A 61 1.249 5.368 -5.460 1.00 0.00 H new ATOM 0 HA SER A 61 2.273 7.434 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.848 5.145 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.393 6.340 -7.764 1.00 0.00 H new ATOM 0 HG SER A 61 0.860 5.847 -9.653 1.00 0.00 H new ATOM 883 N THR A 62 -0.508 8.265 -5.487 1.00 0.00 N ATOM 884 CA THR A 62 -1.413 9.375 -5.203 1.00 0.00 C ATOM 885 C THR A 62 -2.320 9.047 -4.020 1.00 0.00 C ATOM 886 O THR A 62 -2.375 9.790 -3.040 1.00 0.00 O ATOM 887 CB THR A 62 -2.258 9.706 -6.435 1.00 0.00 C ATOM 888 OG1 THR A 62 -3.357 10.530 -6.085 1.00 0.00 O ATOM 889 CG2 THR A 62 -2.810 8.481 -7.135 1.00 0.00 C ATOM 0 H THR A 62 -0.637 7.452 -4.884 1.00 0.00 H new ATOM 0 HA THR A 62 -0.809 10.245 -4.945 1.00 0.00 H new ATOM 0 HB THR A 62 -1.579 10.219 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.884 10.731 -6.887 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.399 8.790 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.986 7.848 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.443 7.922 -6.446 1.00 0.00 H new ATOM 897 N ASP A 63 -3.025 7.925 -4.119 1.00 0.00 N ATOM 898 CA ASP A 63 -3.927 7.486 -3.059 1.00 0.00 C ATOM 899 C ASP A 63 -3.891 5.968 -2.927 1.00 0.00 C ATOM 900 O ASP A 63 -3.111 5.302 -3.605 1.00 0.00 O ATOM 901 CB ASP A 63 -5.356 7.955 -3.342 1.00 0.00 C ATOM 902 CG ASP A 63 -5.420 9.423 -3.712 1.00 0.00 C ATOM 903 OD1 ASP A 63 -4.945 10.257 -2.912 1.00 0.00 O ATOM 904 OD2 ASP A 63 -5.943 9.739 -4.800 1.00 0.00 O ATOM 0 H ASP A 63 -2.989 7.301 -4.925 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.594 7.929 -2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.777 7.360 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.975 7.778 -2.462 1.00 0.00 H new ATOM 909 N LYS A 64 -4.739 5.435 -2.048 1.00 0.00 N ATOM 910 CA LYS A 64 -4.814 3.986 -1.806 1.00 0.00 C ATOM 911 C LYS A 64 -3.455 3.420 -1.526 1.00 0.00 C ATOM 912 O LYS A 64 -3.143 3.113 -0.379 1.00 0.00 O ATOM 913 CB LYS A 64 -5.461 3.241 -2.984 1.00 0.00 C ATOM 914 CG LYS A 64 -6.182 4.134 -3.986 1.00 0.00 C ATOM 915 CD LYS A 64 -6.585 3.362 -5.232 1.00 0.00 C ATOM 916 CE LYS A 64 -8.002 2.823 -5.122 1.00 0.00 C ATOM 917 NZ LYS A 64 -8.119 1.784 -4.062 1.00 0.00 N ATOM 0 H LYS A 64 -5.389 5.985 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.446 3.842 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.688 2.680 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.171 2.514 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.069 4.563 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.535 4.965 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.509 4.012 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.892 2.536 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.687 3.643 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.305 2.400 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.941 1.178 -4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.256 1.204 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.242 2.244 -3.137 1.00 0.00 H new ATOM 931 N CYS A 65 -2.638 3.278 -2.550 1.00 0.00 N ATOM 932 CA CYS A 65 -1.315 2.745 -2.348 1.00 0.00 C ATOM 933 C CYS A 65 -1.366 1.211 -2.328 1.00 0.00 C ATOM 934 O CYS A 65 -0.546 0.564 -2.979 1.00 0.00 O ATOM 935 CB CYS A 65 -0.757 3.332 -1.049 1.00 0.00 C ATOM 936 SG CYS A 65 1.002 3.781 -1.109 1.00 0.00 S ATOM 0 H CYS A 65 -2.866 3.521 -3.514 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.650 3.024 -3.165 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.335 4.219 -0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.906 2.609 -0.247 1.00 0.00 H new ATOM 941 N ASN A 66 -2.343 0.637 -1.590 1.00 0.00 N ATOM 942 CA ASN A 66 -2.524 -0.826 -1.500 1.00 0.00 C ATOM 943 C ASN A 66 -1.860 -1.578 -2.664 1.00 0.00 C ATOM 944 O ASN A 66 -1.905 -1.130 -3.810 1.00 0.00 O ATOM 945 CB ASN A 66 -4.020 -1.189 -1.481 1.00 0.00 C ATOM 946 CG ASN A 66 -4.902 -0.139 -0.820 1.00 0.00 C ATOM 947 OD1 ASN A 66 -4.672 1.061 -0.951 1.00 0.00 O ATOM 948 ND2 ASN A 66 -5.927 -0.595 -0.110 1.00 0.00 N ATOM 0 H ASN A 66 -3.021 1.170 -1.046 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.043 -1.132 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.360 -1.342 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.147 -2.137 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.559 0.059 0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.083 -1.600 -0.026 1.00 0.00 H new ATOM 955 N PRO A 67 -1.237 -2.741 -2.383 1.00 0.00 N ATOM 956 CA PRO A 67 -0.563 -3.555 -3.407 1.00 0.00 C ATOM 957 C PRO A 67 -1.508 -4.093 -4.475 1.00 0.00 C ATOM 958 O PRO A 67 -1.135 -4.195 -5.643 1.00 0.00 O ATOM 959 CB PRO A 67 0.035 -4.722 -2.608 1.00 0.00 C ATOM 960 CG PRO A 67 0.056 -4.254 -1.195 1.00 0.00 C ATOM 961 CD PRO A 67 -1.136 -3.357 -1.051 1.00 0.00 C ATOM 0 HA PRO A 67 0.168 -2.960 -3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.568 -5.624 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.038 -4.966 -2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.001 -5.094 -0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.979 -3.718 -0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.035 -3.916 -0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.990 -2.611 -0.270 1.00 0.00 H new ATOM 969 N HIS A 68 -2.720 -4.463 -4.075 1.00 0.00 N ATOM 970 CA HIS A 68 -3.690 -5.015 -5.016 1.00 0.00 C ATOM 971 C HIS A 68 -4.780 -4.006 -5.374 1.00 0.00 C ATOM 972 O HIS A 68 -5.914 -4.115 -4.908 1.00 0.00 O ATOM 973 CB HIS A 68 -4.325 -6.285 -4.443 1.00 0.00 C ATOM 974 CG HIS A 68 -4.945 -6.093 -3.091 1.00 0.00 C ATOM 975 ND1 HIS A 68 -5.146 -4.853 -2.520 1.00 0.00 N ATOM 976 CD2 HIS A 68 -5.416 -6.996 -2.199 1.00 0.00 C ATOM 977 CE1 HIS A 68 -5.712 -5.003 -1.336 1.00 0.00 C ATOM 978 NE2 HIS A 68 -5.887 -6.293 -1.117 1.00 0.00 N ATOM 0 H HIS A 68 -3.053 -4.392 -3.114 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.149 -5.259 -5.931 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.087 -6.643 -5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.564 -7.063 -4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.421 -8.070 -2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.985 -4.205 -0.661 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.304 -6.701 -0.280 1.00 0.00 H new ATOM 987 N PRO A 69 -4.458 -3.012 -6.224 1.00 0.00 N ATOM 988 CA PRO A 69 -5.426 -1.999 -6.652 1.00 0.00 C ATOM 989 C PRO A 69 -6.441 -2.569 -7.637 1.00 0.00 C ATOM 990 O PRO A 69 -7.586 -2.122 -7.696 1.00 0.00 O ATOM 991 CB PRO A 69 -4.553 -0.948 -7.336 1.00 0.00 C ATOM 992 CG PRO A 69 -3.385 -1.715 -7.849 1.00 0.00 C ATOM 993 CD PRO A 69 -3.135 -2.807 -6.844 1.00 0.00 C ATOM 0 HA PRO A 69 -6.013 -1.608 -5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.089 -0.452 -8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.243 -0.172 -6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.594 -2.131 -8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -2.511 -1.072 -7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.770 -3.716 -7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.388 -2.512 -6.108 1.00 0.00 H new ATOM 1001 N LYS A 70 -6.006 -3.562 -8.408 1.00 0.00 N ATOM 1002 CA LYS A 70 -6.867 -4.205 -9.394 1.00 0.00 C ATOM 1003 C LYS A 70 -7.676 -5.330 -8.754 1.00 0.00 C ATOM 1004 O LYS A 70 -8.905 -5.341 -8.823 1.00 0.00 O ATOM 1005 CB LYS A 70 -6.029 -4.758 -10.549 1.00 0.00 C ATOM 1006 CG LYS A 70 -6.857 -5.380 -11.662 1.00 0.00 C ATOM 1007 CD LYS A 70 -6.011 -6.278 -12.550 1.00 0.00 C ATOM 1008 CE LYS A 70 -5.425 -7.446 -11.771 1.00 0.00 C ATOM 1009 NZ LYS A 70 -3.957 -7.301 -11.570 1.00 0.00 N ATOM 0 H LYS A 70 -5.059 -3.939 -8.368 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.559 -3.457 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.424 -3.953 -10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.339 -5.507 -10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.673 -5.959 -11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.309 -4.592 -12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.620 -6.657 -13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.204 -5.695 -12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.918 -7.519 -10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.628 -8.375 -12.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.657 -7.889 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.457 -7.607 -12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.730 -6.305 -11.374 1.00 0.00 H new ATOM 1023 N GLN A 71 -6.973 -6.275 -8.132 1.00 0.00 N ATOM 1024 CA GLN A 71 -7.612 -7.412 -7.472 1.00 0.00 C ATOM 1025 C GLN A 71 -8.710 -8.018 -8.343 1.00 0.00 C ATOM 1026 O GLN A 71 -9.701 -8.543 -7.834 1.00 0.00 O ATOM 1027 CB GLN A 71 -8.193 -6.985 -6.122 1.00 0.00 C ATOM 1028 CG GLN A 71 -9.333 -5.986 -6.235 1.00 0.00 C ATOM 1029 CD GLN A 71 -10.019 -5.730 -4.908 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -9.903 -4.647 -4.334 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -10.739 -6.730 -4.412 1.00 0.00 N ATOM 0 H GLN A 71 -5.955 -6.275 -8.071 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.849 -8.173 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.548 -7.870 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.399 -6.549 -5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.949 -5.045 -6.628 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.065 -6.356 -6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.808 -7.611 -4.922 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.223 -6.617 -3.521 1.00 0.00 H new ATOM 1040 N ARG A 72 -8.527 -7.942 -9.657 1.00 0.00 N ATOM 1041 CA ARG A 72 -9.500 -8.481 -10.600 1.00 0.00 C ATOM 1042 C ARG A 72 -9.026 -8.287 -12.041 1.00 0.00 C ATOM 1043 O ARG A 72 -9.058 -7.173 -12.565 1.00 0.00 O ATOM 1044 CB ARG A 72 -10.861 -7.807 -10.401 1.00 0.00 C ATOM 1045 CG ARG A 72 -11.905 -8.211 -11.433 1.00 0.00 C ATOM 1046 CD ARG A 72 -12.194 -9.703 -11.386 1.00 0.00 C ATOM 1047 NE ARG A 72 -13.310 -10.016 -10.497 1.00 0.00 N ATOM 1048 CZ ARG A 72 -14.580 -9.724 -10.768 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -14.897 -9.103 -11.897 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -15.533 -10.049 -9.908 1.00 0.00 N ATOM 0 H ARG A 72 -7.712 -7.511 -10.094 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.601 -9.550 -10.411 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.234 -8.050 -9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.729 -6.726 -10.436 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.826 -7.656 -11.255 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.556 -7.939 -12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.419 -10.061 -12.391 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.303 -10.235 -11.051 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.104 -10.486 -9.616 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.166 -8.848 -12.561 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.872 -8.881 -12.101 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.294 -10.523 -9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.506 -9.825 -10.116 1.00 0.00 H new ATOM 1064 N PRO A 73 -8.577 -9.369 -12.705 1.00 0.00 N ATOM 1065 CA PRO A 73 -8.100 -9.299 -14.089 1.00 0.00 C ATOM 1066 C PRO A 73 -9.227 -9.014 -15.077 1.00 0.00 C ATOM 1067 O PRO A 73 -10.404 -9.171 -14.753 1.00 0.00 O ATOM 1068 CB PRO A 73 -7.513 -10.691 -14.337 1.00 0.00 C ATOM 1069 CG PRO A 73 -8.227 -11.578 -13.378 1.00 0.00 C ATOM 1070 CD PRO A 73 -8.502 -10.739 -12.163 1.00 0.00 C ATOM 0 HA PRO A 73 -7.384 -8.489 -14.231 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.673 -11.011 -15.367 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.437 -10.704 -14.163 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.154 -11.954 -13.810 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.619 -12.446 -13.123 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.433 -11.030 -11.676 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.710 -10.835 -11.421 1.00 0.00 H new ATOM 1078 N GLY A 74 -8.859 -8.595 -16.283 1.00 0.00 N ATOM 1079 CA GLY A 74 -9.851 -8.295 -17.299 1.00 0.00 C ATOM 1080 C GLY A 74 -9.226 -7.852 -18.607 1.00 0.00 C ATOM 1081 O GLY A 74 -8.026 -7.505 -18.606 1.00 0.00 O ATOM 1082 OXT GLY A 74 -9.937 -7.852 -19.635 1.00 0.00 O ATOM 0 H GLY A 74 -7.891 -8.458 -16.575 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.465 -9.178 -17.474 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.515 -7.512 -16.934 1.00 0.00 H new TER 1086 GLY A 74