USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=38 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+ -111:sc= -8.45! (180deg=-4.71!) USER MOD Set 1.2: A 71 GLN : amide:sc= -5.72! K(o=-14!,f=-0.6) USER MOD Set 2.1: A 3 CYS SG : rot -101:sc= -12.2! USER MOD Set 2.2: A 16 CYS SG : rot 121:sc= -5.38! USER MOD Set 2.3: A 23 CYS SG : rot -87:sc= -12.4! USER MOD Set 2.4: A 44 CYS SG : rot -75:sc= -13.3! USER MOD Set 2.5: A 60 CYS SG : rot -40:sc= -20.9! USER MOD Set 2.6: A 62 THR OG1 : rot 54:sc= -1.54! USER MOD Set 2.7: A 65 CYS SG : rot 17:sc= -27.1! USER MOD Set 2.8: A 66 ASN : amide:sc= -11! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -50:sc= -0.0178! USER MOD Set 3.2: A 59 CYS SG : rot 129:sc= -9.25! USER MOD Set 4.1: A 29 CYS SG : rot -144:sc= -3.92! USER MOD Set 4.2: A 33 CYS SG : rot -46:sc= 1.47! USER MOD Set 5.1: A 5 THR OG1 : rot -26:sc= 1.47 USER MOD Set 5.2: A 8 THR OG1 : rot 79:sc= -1.63 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 1 ILE N :NH3+ -116:sc= -0.18 (180deg=-0.424) USER MOD Single : A 4 HIS : no HD1:sc= -13.2! C(o=-13!,f=-11!) USER MOD Single : A 6 THR OG1 : rot -74:sc= -2.13 USER MOD Single : A 12 SER OG : rot 180:sc= -0.7 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 21 ASN : amide:sc= -5.17! K(o=-5.2!,f=-1.8) 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 138:sc= -1.16 (180deg=-1.7!) 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 38 LYS NZ :NH3+ -110:sc= 0.885 (180deg=-0.466) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 50:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -1.04 (180deg=-1.45) USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.845) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 74:sc= -0.273 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= -32.4! C(o=-32!,f=-38!) USER MOD Single : B 1 HIS : no HD1:sc= -1.76! X(o=-1.8!,f=-1.4) USER MOD Single : B 1 HIS N :NH3+ 167:sc= -14.3! (180deg=-15.2!) USER MOD Single : B 3 TYR OH : rot 136:sc= 0.766 USER MOD Single : B 4 TYR OH : rot 56:sc= -0.623 USER MOD Single : B 6 SER OG : rot -20:sc= 0.271 USER MOD Single : B 7 SER OG : rot 60:sc= -7! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.913 6.378 12.417 1.00 0.00 N ATOM 2 CA ILE A 1 -6.520 6.548 11.109 1.00 0.00 C ATOM 3 C ILE A 1 -6.823 5.173 10.509 1.00 0.00 C ATOM 4 O ILE A 1 -6.739 4.160 11.198 1.00 0.00 O ATOM 5 CB ILE A 1 -5.639 7.427 10.219 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.257 6.800 10.024 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.549 8.851 10.772 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.541 7.415 8.821 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.539 6.778 13.145 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.768 5.365 12.603 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.997 6.869 12.441 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.470 7.075 11.196 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.105 7.492 9.236 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.657 6.946 10.922 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.359 5.724 9.880 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.917 9.455 10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.547 9.288 10.816 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.119 8.826 11.773 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.561 6.952 8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.131 7.246 7.921 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.419 8.487 8.979 1.00 0.00 H new ATOM 20 N VAL A 2 -7.167 5.185 9.229 1.00 0.00 N ATOM 21 CA VAL A 2 -7.483 3.952 8.528 1.00 0.00 C ATOM 22 C VAL A 2 -6.584 3.825 7.298 1.00 0.00 C ATOM 23 O VAL A 2 -6.118 4.828 6.758 1.00 0.00 O ATOM 24 CB VAL A 2 -8.974 3.910 8.187 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.437 2.475 7.928 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.807 4.566 9.290 1.00 0.00 C ATOM 0 H VAL A 2 -7.234 6.029 8.660 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.286 3.090 9.165 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.125 4.480 7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.500 2.473 7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.876 2.057 7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.265 1.871 8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.863 4.523 9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.648 4.036 10.229 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.504 5.607 9.405 1.00 0.00 H new ATOM 36 N CYS A 3 -6.366 2.584 6.887 1.00 0.00 N ATOM 37 CA CYS A 3 -5.531 2.315 5.730 1.00 0.00 C ATOM 38 C CYS A 3 -6.111 1.107 4.990 1.00 0.00 C ATOM 39 O CYS A 3 -6.715 0.229 5.604 1.00 0.00 O ATOM 40 CB CYS A 3 -4.069 2.091 6.126 1.00 0.00 C ATOM 41 SG CYS A 3 -3.667 3.078 7.613 1.00 0.00 S ATOM 0 H CYS A 3 -6.754 1.754 7.335 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.532 3.182 5.069 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.895 1.033 6.323 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.413 2.374 5.303 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.015 4.146 7.262 1.00 0.00 H new ATOM 47 N HIS A 4 -5.908 1.104 3.680 1.00 0.00 N ATOM 48 CA HIS A 4 -6.404 0.020 2.849 1.00 0.00 C ATOM 49 C HIS A 4 -5.403 -1.137 2.863 1.00 0.00 C ATOM 50 O HIS A 4 -4.195 -0.917 2.930 1.00 0.00 O ATOM 51 CB HIS A 4 -6.716 0.517 1.436 1.00 0.00 C ATOM 52 CG HIS A 4 -7.384 1.871 1.395 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.629 2.110 1.951 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.967 3.054 0.859 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.937 3.383 1.753 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.906 3.967 1.076 1.00 0.00 N ATOM 0 H HIS A 4 -5.407 1.835 3.174 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.344 -0.353 3.256 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.789 0.563 0.865 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.360 -0.210 0.940 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.032 3.220 0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.845 3.873 2.072 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.864 4.944 0.785 1.00 0.00 H new ATOM 65 N THR A 5 -5.944 -2.345 2.799 1.00 0.00 N ATOM 66 CA THR A 5 -5.113 -3.538 2.804 1.00 0.00 C ATOM 67 C THR A 5 -5.203 -4.257 1.455 1.00 0.00 C ATOM 68 O THR A 5 -6.265 -4.755 1.085 1.00 0.00 O ATOM 69 CB THR A 5 -5.541 -4.408 3.987 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.592 -5.215 3.461 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.214 -3.598 5.097 1.00 0.00 C ATOM 0 H THR A 5 -6.947 -2.524 2.743 1.00 0.00 H new ATOM 0 HA THR A 5 -4.060 -3.286 2.932 1.00 0.00 H new ATOM 0 HB THR A 5 -4.670 -4.924 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.019 -4.748 2.713 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.498 -4.264 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.520 -2.844 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.104 -3.108 4.702 1.00 0.00 H new ATOM 79 N THR A 6 -4.077 -4.287 0.760 1.00 0.00 N ATOM 80 CA THR A 6 -4.016 -4.937 -0.538 1.00 0.00 C ATOM 81 C THR A 6 -3.372 -6.318 -0.415 1.00 0.00 C ATOM 82 O THR A 6 -3.613 -7.196 -1.241 1.00 0.00 O ATOM 83 CB THR A 6 -3.274 -4.005 -1.499 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.870 -2.911 -0.679 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.204 -3.370 -2.534 1.00 0.00 C ATOM 0 H THR A 6 -3.199 -3.872 1.071 1.00 0.00 H new ATOM 0 HA THR A 6 -5.015 -5.114 -0.938 1.00 0.00 H new ATOM 0 HB THR A 6 -2.488 -4.562 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.648 -2.352 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.627 -2.718 -3.190 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.679 -4.153 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.970 -2.785 -2.025 1.00 0.00 H new ATOM 93 N ALA A 7 -2.566 -6.469 0.626 1.00 0.00 N ATOM 94 CA ALA A 7 -1.886 -7.729 0.869 1.00 0.00 C ATOM 95 C ALA A 7 -2.872 -8.728 1.479 1.00 0.00 C ATOM 96 O ALA A 7 -2.996 -9.854 1.000 1.00 0.00 O ATOM 97 CB ALA A 7 -0.670 -7.489 1.768 1.00 0.00 C ATOM 0 H ALA A 7 -2.369 -5.739 1.311 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.522 -8.154 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.160 -8.435 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.014 -6.796 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.997 -7.065 2.717 1.00 0.00 H new ATOM 103 N THR A 8 -3.550 -8.278 2.525 1.00 0.00 N ATOM 104 CA THR A 8 -4.521 -9.119 3.204 1.00 0.00 C ATOM 105 C THR A 8 -5.779 -9.279 2.348 1.00 0.00 C ATOM 106 O THR A 8 -5.773 -10.015 1.363 1.00 0.00 O ATOM 107 CB THR A 8 -4.796 -8.506 4.579 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.687 -7.102 4.362 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.689 -8.813 5.589 1.00 0.00 C ATOM 0 H THR A 8 -3.446 -7.343 2.918 1.00 0.00 H new ATOM 0 HA THR A 8 -4.136 -10.128 3.352 1.00 0.00 H new ATOM 0 HB THR A 8 -5.747 -8.879 4.958 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.513 -6.769 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.934 -8.355 6.547 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.600 -9.892 5.715 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.743 -8.411 5.226 1.00 0.00 H new ATOM 117 N SER A 9 -6.827 -8.578 2.757 1.00 0.00 N ATOM 118 CA SER A 9 -8.089 -8.635 2.039 1.00 0.00 C ATOM 119 C SER A 9 -7.911 -8.087 0.622 1.00 0.00 C ATOM 120 O SER A 9 -6.789 -8.004 0.120 1.00 0.00 O ATOM 121 CB SER A 9 -9.178 -7.851 2.776 1.00 0.00 C ATOM 122 OG SER A 9 -8.903 -7.743 4.171 1.00 0.00 O ATOM 0 H SER A 9 -6.828 -7.969 3.575 1.00 0.00 H new ATOM 0 HA SER A 9 -8.402 -9.677 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.263 -6.854 2.344 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.140 -8.343 2.633 1.00 0.00 H new ATOM 0 HG SER A 9 -9.619 -7.235 4.607 1.00 0.00 H new ATOM 128 N PRO A 10 -9.061 -7.719 -0.002 1.00 0.00 N ATOM 129 CA PRO A 10 -9.043 -7.182 -1.353 1.00 0.00 C ATOM 130 C PRO A 10 -8.535 -5.738 -1.361 1.00 0.00 C ATOM 131 O PRO A 10 -7.583 -5.417 -2.070 1.00 0.00 O ATOM 132 CB PRO A 10 -10.474 -7.311 -1.847 1.00 0.00 C ATOM 133 CG PRO A 10 -11.331 -7.481 -0.603 1.00 0.00 C ATOM 134 CD PRO A 10 -10.406 -7.803 0.559 1.00 0.00 C ATOM 0 HA PRO A 10 -8.360 -7.719 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.774 -6.427 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.581 -8.166 -2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.895 -6.571 -0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.057 -8.281 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.538 -7.096 1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.606 -8.796 0.961 1.00 0.00 H new ATOM 142 N ILE A 11 -9.193 -4.909 -0.566 1.00 0.00 N ATOM 143 CA ILE A 11 -8.821 -3.506 -0.474 1.00 0.00 C ATOM 144 C ILE A 11 -9.940 -2.732 0.223 1.00 0.00 C ATOM 145 O ILE A 11 -10.944 -2.388 -0.399 1.00 0.00 O ATOM 146 CB ILE A 11 -8.460 -2.957 -1.855 1.00 0.00 C ATOM 147 CG1 ILE A 11 -6.965 -2.640 -1.945 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.324 -1.744 -2.206 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.612 -2.044 -3.310 1.00 0.00 C ATOM 0 H ILE A 11 -9.982 -5.181 0.021 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.925 -3.387 0.135 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.672 -3.729 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.690 -1.940 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.386 -3.549 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.047 -1.373 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.375 -2.034 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.167 -0.959 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.544 -1.828 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.866 -2.757 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.174 -1.122 -3.461 1.00 0.00 H new ATOM 161 N SER A 12 -9.729 -2.476 1.506 1.00 0.00 N ATOM 162 CA SER A 12 -10.708 -1.747 2.295 1.00 0.00 C ATOM 163 C SER A 12 -10.008 -0.985 3.422 1.00 0.00 C ATOM 164 O SER A 12 -9.079 -1.501 4.042 1.00 0.00 O ATOM 165 CB SER A 12 -11.765 -2.692 2.869 1.00 0.00 C ATOM 166 OG SER A 12 -11.253 -3.481 3.938 1.00 0.00 O ATOM 0 H SER A 12 -8.894 -2.760 2.019 1.00 0.00 H new ATOM 0 HA SER A 12 -11.213 -1.035 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.616 -2.111 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.133 -3.347 2.079 1.00 0.00 H new ATOM 0 HG SER A 12 -11.959 -4.069 4.278 1.00 0.00 H new ATOM 172 N ALA A 13 -10.482 0.230 3.656 1.00 0.00 N ATOM 173 CA ALA A 13 -9.914 1.067 4.698 1.00 0.00 C ATOM 174 C ALA A 13 -10.422 0.593 6.062 1.00 0.00 C ATOM 175 O ALA A 13 -11.541 0.913 6.457 1.00 0.00 O ATOM 176 CB ALA A 13 -10.262 2.532 4.424 1.00 0.00 C ATOM 0 H ALA A 13 -11.253 0.655 3.141 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.827 0.986 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.835 3.160 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.854 2.828 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.345 2.653 4.412 1.00 0.00 H new ATOM 182 N VAL A 14 -9.574 -0.164 6.742 1.00 0.00 N ATOM 183 CA VAL A 14 -9.922 -0.686 8.053 1.00 0.00 C ATOM 184 C VAL A 14 -8.818 -0.328 9.049 1.00 0.00 C ATOM 185 O VAL A 14 -7.642 -0.588 8.800 1.00 0.00 O ATOM 186 CB VAL A 14 -10.182 -2.190 7.964 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.733 -2.572 6.589 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.915 -2.986 8.287 1.00 0.00 C ATOM 0 H VAL A 14 -8.647 -0.429 6.410 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.845 -0.231 8.413 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.936 -2.443 8.709 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.909 -3.647 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.671 -2.045 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.012 -2.296 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.128 -4.053 8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.130 -2.725 7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.584 -2.748 9.298 1.00 0.00 H new ATOM 198 N THR A 15 -9.235 0.265 10.159 1.00 0.00 N ATOM 199 CA THR A 15 -8.297 0.661 11.195 1.00 0.00 C ATOM 200 C THR A 15 -7.329 -0.483 11.506 1.00 0.00 C ATOM 201 O THR A 15 -7.718 -1.650 11.491 1.00 0.00 O ATOM 202 CB THR A 15 -9.103 1.122 12.411 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.157 1.902 11.853 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.329 2.114 13.284 1.00 0.00 C ATOM 0 H THR A 15 -10.211 0.481 10.363 1.00 0.00 H new ATOM 0 HA THR A 15 -7.673 1.492 10.866 1.00 0.00 H new ATOM 0 HB THR A 15 -9.387 0.256 13.008 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.730 2.240 12.573 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.945 2.410 14.133 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.415 1.644 13.646 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.075 2.996 12.695 1.00 0.00 H new ATOM 212 N CYS A 16 -6.089 -0.109 11.777 1.00 0.00 N ATOM 213 CA CYS A 16 -5.062 -1.089 12.090 1.00 0.00 C ATOM 214 C CYS A 16 -4.886 -1.132 13.609 1.00 0.00 C ATOM 215 O CYS A 16 -5.531 -0.376 14.334 1.00 0.00 O ATOM 216 CB CYS A 16 -3.747 -0.779 11.372 1.00 0.00 C ATOM 217 SG CYS A 16 -3.311 -2.157 10.249 1.00 0.00 S ATOM 0 H CYS A 16 -5.771 0.860 11.787 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.372 -2.071 11.733 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.841 0.147 10.805 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.951 -0.627 12.101 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.224 -1.713 9.030 1.00 0.00 H new ATOM 223 N PRO A 17 -3.986 -2.048 14.058 1.00 0.00 N ATOM 224 CA PRO A 17 -3.717 -2.199 15.477 1.00 0.00 C ATOM 225 C PRO A 17 -2.856 -1.046 15.998 1.00 0.00 C ATOM 226 O PRO A 17 -2.568 -0.102 15.266 1.00 0.00 O ATOM 227 CB PRO A 17 -3.038 -3.553 15.606 1.00 0.00 C ATOM 228 CG PRO A 17 -2.535 -3.901 14.215 1.00 0.00 C ATOM 229 CD PRO A 17 -3.204 -2.960 13.228 1.00 0.00 C ATOM 0 HA PRO A 17 -4.622 -2.162 16.083 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.215 -3.511 16.320 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.736 -4.307 15.969 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.451 -3.799 14.165 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.769 -4.938 13.973 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.467 -2.421 12.633 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.840 -3.505 12.530 1.00 0.00 H new ATOM 237 N PRO A 18 -2.458 -1.167 17.293 1.00 0.00 N ATOM 238 CA PRO A 18 -1.636 -0.146 17.920 1.00 0.00 C ATOM 239 C PRO A 18 -0.189 -0.232 17.432 1.00 0.00 C ATOM 240 O PRO A 18 0.494 -1.227 17.672 1.00 0.00 O ATOM 241 CB PRO A 18 -1.774 -0.394 19.415 1.00 0.00 C ATOM 242 CG PRO A 18 -2.290 -1.816 19.556 1.00 0.00 C ATOM 243 CD PRO A 18 -2.780 -2.271 18.191 1.00 0.00 C ATOM 0 HA PRO A 18 -1.954 0.865 17.666 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.816 -0.274 19.921 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.464 0.318 19.867 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.500 -2.475 19.917 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.099 -1.858 20.286 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.286 -3.191 17.880 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.851 -2.473 18.202 1.00 0.00 H new ATOM 251 N GLY A 19 0.237 0.826 16.758 1.00 0.00 N ATOM 252 CA GLY A 19 1.592 0.883 16.232 1.00 0.00 C ATOM 253 C GLY A 19 1.664 1.784 14.999 1.00 0.00 C ATOM 254 O GLY A 19 2.431 2.745 14.971 1.00 0.00 O ATOM 0 H GLY A 19 -0.331 1.651 16.564 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.269 1.257 17.000 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.928 -0.121 15.973 1.00 0.00 H new ATOM 258 N GLU A 20 0.854 1.440 14.007 1.00 0.00 N ATOM 259 CA GLU A 20 0.817 2.206 12.772 1.00 0.00 C ATOM 260 C GLU A 20 0.244 3.600 13.030 1.00 0.00 C ATOM 261 O GLU A 20 -0.962 3.754 13.221 1.00 0.00 O ATOM 262 CB GLU A 20 0.014 1.472 11.696 1.00 0.00 C ATOM 263 CG GLU A 20 0.622 0.101 11.398 1.00 0.00 C ATOM 264 CD GLU A 20 0.085 -0.959 12.363 1.00 0.00 C ATOM 265 OE1 GLU A 20 -0.977 -0.759 12.974 1.00 0.00 O ATOM 266 OE2 GLU A 20 0.811 -2.019 12.469 1.00 0.00 O ATOM 0 H GLU A 20 0.219 0.642 14.034 1.00 0.00 H new ATOM 0 HA GLU A 20 1.837 2.317 12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.018 1.352 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.010 2.069 10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.393 -0.187 10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.708 0.155 11.479 1.00 0.00 H new ATOM 274 N ASN A 21 1.134 4.582 13.026 1.00 0.00 N ATOM 275 CA ASN A 21 0.731 5.958 13.258 1.00 0.00 C ATOM 276 C ASN A 21 0.272 6.580 11.937 1.00 0.00 C ATOM 277 O ASN A 21 -0.011 7.776 11.874 1.00 0.00 O ATOM 278 CB ASN A 21 1.896 6.792 13.792 1.00 0.00 C ATOM 279 CG ASN A 21 2.644 6.043 14.898 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.791 6.324 15.209 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.932 5.078 15.473 1.00 0.00 N ATOM 0 H ASN A 21 2.133 4.451 12.866 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.075 5.953 13.992 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.582 7.027 12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.522 7.740 14.178 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.341 4.520 16.223 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.977 4.896 15.164 1.00 0.00 H new ATOM 288 N LEU A 22 0.212 5.741 10.913 1.00 0.00 N ATOM 289 CA LEU A 22 -0.208 6.192 9.598 1.00 0.00 C ATOM 290 C LEU A 22 -0.342 4.985 8.668 1.00 0.00 C ATOM 291 O LEU A 22 -0.270 3.841 9.115 1.00 0.00 O ATOM 292 CB LEU A 22 0.746 7.270 9.073 1.00 0.00 C ATOM 293 CG LEU A 22 2.157 6.801 8.716 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.434 6.990 7.223 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.203 7.498 9.587 1.00 0.00 C ATOM 0 H LEU A 22 0.448 4.750 10.968 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.189 6.664 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.300 7.722 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.825 8.055 9.825 1.00 0.00 H new ATOM 0 HG LEU A 22 2.227 5.733 8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.444 6.649 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.715 6.411 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.340 8.045 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.198 7.146 9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.144 8.576 9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.014 7.269 10.636 1.00 0.00 H new ATOM 307 N CYS A 23 -0.536 5.281 7.391 1.00 0.00 N ATOM 308 CA CYS A 23 -0.681 4.233 6.393 1.00 0.00 C ATOM 309 C CYS A 23 0.624 4.138 5.603 1.00 0.00 C ATOM 310 O CYS A 23 1.625 4.753 5.971 1.00 0.00 O ATOM 311 CB CYS A 23 -1.884 4.485 5.482 1.00 0.00 C ATOM 312 SG CYS A 23 -3.212 5.326 6.416 1.00 0.00 S ATOM 0 H CYS A 23 -0.596 6.231 7.024 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.874 3.280 6.886 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.584 5.096 4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.252 3.540 5.082 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.962 4.438 6.998 1.00 0.00 H new ATOM 318 N TYR A 24 0.575 3.362 4.531 1.00 0.00 N ATOM 319 CA TYR A 24 1.741 3.177 3.684 1.00 0.00 C ATOM 320 C TYR A 24 1.361 2.501 2.365 1.00 0.00 C ATOM 321 O TYR A 24 0.252 1.989 2.223 1.00 0.00 O ATOM 322 CB TYR A 24 2.685 2.258 4.462 1.00 0.00 C ATOM 323 CG TYR A 24 2.290 0.779 4.417 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.777 -0.034 3.415 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.448 0.262 5.380 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.406 -1.425 3.373 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.076 -1.129 5.338 1.00 0.00 C ATOM 328 CZ TYR A 24 1.573 -1.904 4.337 1.00 0.00 C ATOM 329 OH TYR A 24 1.223 -3.217 4.298 1.00 0.00 O ATOM 0 H TYR A 24 -0.256 2.853 4.229 1.00 0.00 H new ATOM 0 HA TYR A 24 2.196 4.138 3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.693 2.367 4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.718 2.584 5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.436 0.372 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.068 0.900 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.780 -2.073 2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.417 -1.547 6.085 1.00 0.00 H new ATOM 0 HH TYR A 24 0.625 -3.419 5.048 1.00 0.00 H new ATOM 339 N ARG A 25 2.304 2.520 1.434 1.00 0.00 N ATOM 340 CA ARG A 25 2.081 1.917 0.132 1.00 0.00 C ATOM 341 C ARG A 25 3.314 1.120 -0.301 1.00 0.00 C ATOM 342 O ARG A 25 4.280 1.691 -0.806 1.00 0.00 O ATOM 343 CB ARG A 25 1.773 2.980 -0.924 1.00 0.00 C ATOM 344 CG ARG A 25 0.965 4.133 -0.322 1.00 0.00 C ATOM 345 CD ARG A 25 1.085 5.393 -1.181 1.00 0.00 C ATOM 346 NE ARG A 25 -0.257 5.843 -1.609 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.495 6.551 -2.733 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.521 6.899 -3.552 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.735 6.902 -3.021 1.00 0.00 N ATOM 0 H ARG A 25 3.224 2.944 1.556 1.00 0.00 H new ATOM 0 HA ARG A 25 1.223 1.250 0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.704 3.363 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.216 2.531 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.083 3.843 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.319 4.342 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.579 6.183 -0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.705 5.190 -2.054 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.053 5.603 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.477 6.627 -3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.332 7.434 -4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.498 6.638 -2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.930 7.437 -3.867 1.00 0.00 H new ATOM 363 N LYS A 26 3.240 -0.185 -0.089 1.00 0.00 N ATOM 364 CA LYS A 26 4.339 -1.065 -0.450 1.00 0.00 C ATOM 365 C LYS A 26 4.250 -1.399 -1.941 1.00 0.00 C ATOM 366 O LYS A 26 3.173 -1.339 -2.531 1.00 0.00 O ATOM 367 CB LYS A 26 4.357 -2.299 0.455 1.00 0.00 C ATOM 368 CG LYS A 26 5.641 -2.349 1.286 1.00 0.00 C ATOM 369 CD LYS A 26 5.581 -3.474 2.322 1.00 0.00 C ATOM 370 CE LYS A 26 5.294 -2.919 3.718 1.00 0.00 C ATOM 371 NZ LYS A 26 6.201 -3.530 4.714 1.00 0.00 N ATOM 0 H LYS A 26 2.436 -0.655 0.328 1.00 0.00 H new ATOM 0 HA LYS A 26 5.295 -0.566 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.491 -2.282 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.277 -3.201 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.498 -2.500 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.790 -1.394 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.806 -4.188 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.526 -4.017 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.420 -1.836 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.258 -3.119 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.993 -3.143 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.061 -4.561 4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.187 -3.317 4.462 1.00 0.00 H new ATOM 385 N MET A 27 5.397 -1.741 -2.507 1.00 0.00 N ATOM 386 CA MET A 27 5.463 -2.083 -3.918 1.00 0.00 C ATOM 387 C MET A 27 6.575 -3.099 -4.185 1.00 0.00 C ATOM 388 O MET A 27 7.590 -3.112 -3.489 1.00 0.00 O ATOM 389 CB MET A 27 5.720 -0.817 -4.739 1.00 0.00 C ATOM 390 CG MET A 27 4.471 -0.408 -5.521 1.00 0.00 C ATOM 391 SD MET A 27 4.502 1.346 -5.849 1.00 0.00 S ATOM 392 CE MET A 27 2.805 1.601 -6.338 1.00 0.00 C ATOM 0 H MET A 27 6.289 -1.789 -2.014 1.00 0.00 H new ATOM 0 HA MET A 27 4.512 -2.529 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.021 -0.005 -4.077 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.546 -0.988 -5.429 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.422 -0.961 -6.459 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.577 -0.664 -4.953 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.431 2.521 -5.889 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.747 1.677 -7.424 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.199 0.760 -6.000 1.00 0.00 H new ATOM 402 N TRP A 28 6.347 -3.926 -5.194 1.00 0.00 N ATOM 403 CA TRP A 28 7.317 -4.944 -5.561 1.00 0.00 C ATOM 404 C TRP A 28 6.943 -5.475 -6.946 1.00 0.00 C ATOM 405 O TRP A 28 7.229 -4.836 -7.958 1.00 0.00 O ATOM 406 CB TRP A 28 7.388 -6.043 -4.498 1.00 0.00 C ATOM 407 CG TRP A 28 6.069 -6.280 -3.760 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.912 -6.734 -4.262 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.816 -6.055 -2.358 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.938 -6.818 -3.290 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.505 -6.393 -2.093 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.669 -5.583 -1.344 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.928 -6.293 -0.822 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.078 -5.489 -0.078 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.758 -5.825 0.203 1.00 0.00 C ATOM 0 H TRP A 28 5.505 -3.912 -5.769 1.00 0.00 H new ATOM 0 HA TRP A 28 8.321 -4.521 -5.609 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.700 -6.974 -4.972 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.158 -5.782 -3.771 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.762 -7.000 -5.298 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.977 -7.134 -3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.699 -5.314 -1.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.898 -6.562 -0.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.690 -5.131 0.737 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.375 -5.725 1.208 1.00 0.00 H new ATOM 426 N CYS A 29 6.311 -6.640 -6.948 1.00 0.00 N ATOM 427 CA CYS A 29 5.895 -7.264 -8.193 1.00 0.00 C ATOM 428 C CYS A 29 5.129 -8.544 -7.854 1.00 0.00 C ATOM 429 O CYS A 29 5.678 -9.456 -7.239 1.00 0.00 O ATOM 430 CB CYS A 29 7.086 -7.538 -9.112 1.00 0.00 C ATOM 431 SG CYS A 29 6.965 -6.505 -10.618 1.00 0.00 S ATOM 0 H CYS A 29 6.077 -7.168 -6.107 1.00 0.00 H new ATOM 0 HA CYS A 29 5.243 -6.586 -8.744 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.017 -7.324 -8.588 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.110 -8.593 -9.385 1.00 0.00 H new ATOM 0 HG CYS A 29 7.406 -7.176 -11.641 1.00 0.00 H new ATOM 437 N ASP A 30 3.873 -8.571 -8.272 1.00 0.00 N ATOM 438 CA ASP A 30 3.025 -9.725 -8.022 1.00 0.00 C ATOM 439 C ASP A 30 3.776 -10.999 -8.413 1.00 0.00 C ATOM 440 O ASP A 30 4.891 -10.933 -8.929 1.00 0.00 O ATOM 441 CB ASP A 30 1.744 -9.659 -8.855 1.00 0.00 C ATOM 442 CG ASP A 30 0.640 -10.628 -8.424 1.00 0.00 C ATOM 443 OD1 ASP A 30 -0.459 -10.640 -8.997 1.00 0.00 O ATOM 444 OD2 ASP A 30 0.951 -11.405 -7.442 1.00 0.00 O ATOM 0 H ASP A 30 3.421 -7.812 -8.782 1.00 0.00 H new ATOM 0 HA ASP A 30 2.767 -9.729 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.352 -8.643 -8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.995 -9.859 -9.897 1.00 0.00 H new ATOM 450 N ALA A 31 3.138 -12.129 -8.152 1.00 0.00 N ATOM 451 CA ALA A 31 3.730 -13.417 -8.467 1.00 0.00 C ATOM 452 C ALA A 31 3.751 -13.604 -9.987 1.00 0.00 C ATOM 453 O ALA A 31 4.250 -14.613 -10.485 1.00 0.00 O ATOM 454 CB ALA A 31 2.957 -14.526 -7.755 1.00 0.00 C ATOM 0 H ALA A 31 2.213 -12.179 -7.724 1.00 0.00 H new ATOM 0 HA ALA A 31 4.760 -13.462 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.403 -15.491 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.997 -14.364 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.918 -14.515 -8.085 1.00 0.00 H new ATOM 460 N PHE A 32 3.204 -12.618 -10.680 1.00 0.00 N ATOM 461 CA PHE A 32 3.152 -12.661 -12.132 1.00 0.00 C ATOM 462 C PHE A 32 3.944 -11.503 -12.743 1.00 0.00 C ATOM 463 O PHE A 32 4.214 -11.496 -13.943 1.00 0.00 O ATOM 464 CB PHE A 32 1.682 -12.524 -12.531 1.00 0.00 C ATOM 465 CG PHE A 32 0.803 -13.691 -12.077 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.650 -13.953 -10.751 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.175 -14.469 -13.001 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.166 -15.036 -10.331 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.642 -15.552 -12.580 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.795 -15.813 -11.253 1.00 0.00 C ATOM 0 H PHE A 32 2.792 -11.783 -10.263 1.00 0.00 H new ATOM 0 HA PHE A 32 3.586 -13.593 -12.493 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.287 -11.599 -12.110 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.617 -12.434 -13.615 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.149 -13.337 -10.018 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.298 -14.263 -14.054 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.287 -15.243 -9.278 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.142 -16.168 -13.313 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.416 -16.637 -10.932 1.00 0.00 H new ATOM 480 N CYS A 33 4.294 -10.551 -11.890 1.00 0.00 N ATOM 481 CA CYS A 33 5.049 -9.391 -12.332 1.00 0.00 C ATOM 482 C CYS A 33 4.532 -8.979 -13.712 1.00 0.00 C ATOM 483 O CYS A 33 5.288 -8.966 -14.682 1.00 0.00 O ATOM 484 CB CYS A 33 6.553 -9.667 -12.344 1.00 0.00 C ATOM 485 SG CYS A 33 7.412 -8.410 -13.360 1.00 0.00 S ATOM 0 H CYS A 33 4.069 -10.560 -10.895 1.00 0.00 H new ATOM 0 HA CYS A 33 4.903 -8.569 -11.631 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.942 -9.651 -11.326 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.745 -10.663 -12.744 1.00 0.00 H new ATOM 0 HG CYS A 33 6.772 -8.246 -14.480 1.00 0.00 H new ATOM 491 N SER A 34 3.249 -8.652 -13.755 1.00 0.00 N ATOM 492 CA SER A 34 2.623 -8.241 -15.000 1.00 0.00 C ATOM 493 C SER A 34 3.331 -7.005 -15.558 1.00 0.00 C ATOM 494 O SER A 34 4.234 -6.462 -14.923 1.00 0.00 O ATOM 495 CB SER A 34 1.134 -7.955 -14.799 1.00 0.00 C ATOM 496 OG SER A 34 0.415 -9.119 -14.402 1.00 0.00 O ATOM 0 H SER A 34 2.626 -8.663 -12.948 1.00 0.00 H new ATOM 0 HA SER A 34 2.715 -9.058 -15.716 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.013 -7.179 -14.043 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.711 -7.566 -15.726 1.00 0.00 H new ATOM 0 HG SER A 34 -0.531 -8.894 -14.282 1.00 0.00 H new ATOM 502 N SER A 35 2.894 -6.596 -16.740 1.00 0.00 N ATOM 503 CA SER A 35 3.475 -5.434 -17.391 1.00 0.00 C ATOM 504 C SER A 35 3.000 -4.154 -16.700 1.00 0.00 C ATOM 505 O SER A 35 3.392 -3.054 -17.085 1.00 0.00 O ATOM 506 CB SER A 35 3.115 -5.397 -18.878 1.00 0.00 C ATOM 507 OG SER A 35 3.480 -6.602 -19.546 1.00 0.00 O ATOM 0 H SER A 35 2.145 -7.048 -17.264 1.00 0.00 H new ATOM 0 HA SER A 35 4.560 -5.504 -17.308 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.043 -5.232 -18.987 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.617 -4.553 -19.352 1.00 0.00 H new ATOM 0 HG SER A 35 3.232 -6.540 -20.492 1.00 0.00 H new ATOM 513 N ARG A 36 2.165 -4.341 -15.688 1.00 0.00 N ATOM 514 CA ARG A 36 1.633 -3.216 -14.938 1.00 0.00 C ATOM 515 C ARG A 36 2.668 -2.710 -13.933 1.00 0.00 C ATOM 516 O ARG A 36 2.378 -1.829 -13.128 1.00 0.00 O ATOM 517 CB ARG A 36 0.355 -3.607 -14.192 1.00 0.00 C ATOM 518 CG ARG A 36 -0.541 -4.488 -15.063 1.00 0.00 C ATOM 519 CD ARG A 36 -1.398 -3.637 -16.004 1.00 0.00 C ATOM 520 NE ARG A 36 -0.586 -2.539 -16.572 1.00 0.00 N ATOM 521 CZ ARG A 36 0.139 -2.641 -17.706 1.00 0.00 C ATOM 522 NH1 ARG A 36 0.160 -3.795 -18.405 1.00 0.00 N ATOM 523 NH2 ARG A 36 0.827 -1.593 -18.122 1.00 0.00 N ATOM 0 H ARG A 36 1.844 -5.255 -15.370 1.00 0.00 H new ATOM 0 HA ARG A 36 1.397 -2.425 -15.650 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.613 -4.138 -13.276 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.188 -2.709 -13.898 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.073 -5.174 -15.646 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.185 -5.097 -14.429 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.798 -4.257 -16.806 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.251 -3.227 -15.462 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.573 -1.648 -16.075 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.375 -4.599 -18.078 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.711 -3.863 -19.261 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.805 -0.724 -17.588 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.380 -1.653 -18.977 1.00 0.00 H new ATOM 537 N GLY A 37 3.858 -3.291 -14.014 1.00 0.00 N ATOM 538 CA GLY A 37 4.938 -2.912 -13.121 1.00 0.00 C ATOM 539 C GLY A 37 4.892 -3.726 -11.826 1.00 0.00 C ATOM 540 O GLY A 37 4.873 -4.955 -11.862 1.00 0.00 O ATOM 0 H GLY A 37 4.096 -4.021 -14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.896 -3.066 -13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.867 -1.849 -12.889 1.00 0.00 H new ATOM 544 N LYS A 38 4.874 -3.007 -10.713 1.00 0.00 N ATOM 545 CA LYS A 38 4.831 -3.648 -9.409 1.00 0.00 C ATOM 546 C LYS A 38 3.384 -3.689 -8.913 1.00 0.00 C ATOM 547 O LYS A 38 2.457 -3.410 -9.671 1.00 0.00 O ATOM 548 CB LYS A 38 5.794 -2.958 -8.441 1.00 0.00 C ATOM 549 CG LYS A 38 6.972 -2.333 -9.191 1.00 0.00 C ATOM 550 CD LYS A 38 7.511 -3.287 -10.260 1.00 0.00 C ATOM 551 CE LYS A 38 9.036 -3.223 -10.333 1.00 0.00 C ATOM 552 NZ LYS A 38 9.639 -3.767 -9.095 1.00 0.00 N ATOM 0 H LYS A 38 4.888 -1.987 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 38 5.173 -4.680 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.263 -2.187 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.164 -3.681 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.657 -1.400 -9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.766 -2.085 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.197 -4.306 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.086 -3.029 -11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.389 -3.789 -11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.356 -2.191 -10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.069 -2.993 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.902 -4.226 -8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.370 -4.464 -9.342 1.00 0.00 H new ATOM 566 N VAL A 39 3.237 -4.036 -7.644 1.00 0.00 N ATOM 567 CA VAL A 39 1.919 -4.117 -7.037 1.00 0.00 C ATOM 568 C VAL A 39 1.695 -2.892 -6.148 1.00 0.00 C ATOM 569 O VAL A 39 2.392 -1.887 -6.283 1.00 0.00 O ATOM 570 CB VAL A 39 1.769 -5.439 -6.283 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.298 -5.843 -6.170 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.592 -6.545 -6.946 1.00 0.00 C ATOM 0 H VAL A 39 4.009 -4.265 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 39 1.145 -4.108 -7.804 1.00 0.00 H new ATOM 0 HB VAL A 39 2.154 -5.294 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.220 -6.786 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.251 -5.070 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.125 -5.961 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.467 -7.474 -6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.251 -6.687 -7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.645 -6.263 -6.950 1.00 0.00 H new ATOM 582 N VAL A 40 0.722 -3.017 -5.257 1.00 0.00 N ATOM 583 CA VAL A 40 0.399 -1.932 -4.346 1.00 0.00 C ATOM 584 C VAL A 40 -0.232 -2.510 -3.076 1.00 0.00 C ATOM 585 O VAL A 40 -1.448 -2.452 -2.903 1.00 0.00 O ATOM 586 CB VAL A 40 -0.497 -0.909 -5.046 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.360 0.472 -4.402 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.191 -0.848 -6.543 1.00 0.00 C ATOM 0 H VAL A 40 0.147 -3.852 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 40 1.303 -1.401 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.531 -1.232 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.008 1.180 -4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.649 0.414 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.675 0.806 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.841 -0.113 -7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.850 -0.560 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.363 -1.827 -6.990 1.00 0.00 H new ATOM 598 N GLU A 41 0.623 -3.053 -2.224 1.00 0.00 N ATOM 599 CA GLU A 41 0.164 -3.641 -0.976 1.00 0.00 C ATOM 600 C GLU A 41 0.199 -2.601 0.145 1.00 0.00 C ATOM 601 O GLU A 41 0.995 -2.711 1.076 1.00 0.00 O ATOM 602 CB GLU A 41 1.000 -4.870 -0.609 1.00 0.00 C ATOM 603 CG GLU A 41 1.305 -5.714 -1.848 1.00 0.00 C ATOM 604 CD GLU A 41 1.111 -7.204 -1.558 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.829 -7.581 -0.410 1.00 0.00 O ATOM 606 OE2 GLU A 41 1.261 -7.982 -2.576 1.00 0.00 O ATOM 0 H GLU A 41 1.631 -3.099 -2.372 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.867 -3.969 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.932 -4.554 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.464 -5.473 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.653 -5.412 -2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.330 -5.533 -2.172 1.00 0.00 H new ATOM 614 N LEU A 42 -0.676 -1.613 0.020 1.00 0.00 N ATOM 615 CA LEU A 42 -0.755 -0.554 1.010 1.00 0.00 C ATOM 616 C LEU A 42 -1.240 -1.138 2.339 1.00 0.00 C ATOM 617 O LEU A 42 -1.439 -2.346 2.453 1.00 0.00 O ATOM 618 CB LEU A 42 -1.620 0.599 0.495 1.00 0.00 C ATOM 619 CG LEU A 42 -1.612 0.817 -1.019 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.882 0.257 -1.662 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.403 2.296 -1.359 1.00 0.00 C ATOM 0 H LEU A 42 -1.336 -1.525 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 42 0.232 -0.127 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.648 0.426 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.289 1.519 0.977 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.770 0.266 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.850 0.426 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.949 -0.813 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.754 0.759 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.401 2.424 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.210 2.887 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.449 2.631 -0.953 1.00 0.00 H new ATOM 633 N GLY A 43 -1.415 -0.255 3.310 1.00 0.00 N ATOM 634 CA GLY A 43 -1.871 -0.668 4.626 1.00 0.00 C ATOM 635 C GLY A 43 -1.474 0.356 5.691 1.00 0.00 C ATOM 636 O GLY A 43 -1.413 1.554 5.415 1.00 0.00 O ATOM 0 H GLY A 43 -1.249 0.747 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.954 -0.788 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.444 -1.640 4.874 1.00 0.00 H new ATOM 640 N CYS A 44 -1.213 -0.152 6.886 1.00 0.00 N ATOM 641 CA CYS A 44 -0.824 0.703 7.995 1.00 0.00 C ATOM 642 C CYS A 44 0.637 0.407 8.341 1.00 0.00 C ATOM 643 O CYS A 44 1.131 -0.687 8.074 1.00 0.00 O ATOM 644 CB CYS A 44 -1.744 0.520 9.202 1.00 0.00 C ATOM 645 SG CYS A 44 -3.489 0.436 8.654 1.00 0.00 S ATOM 0 H CYS A 44 -1.263 -1.146 7.111 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.923 1.748 7.702 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.478 -0.392 9.737 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.613 1.348 9.898 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.902 1.627 8.337 1.00 0.00 H new ATOM 651 N ALA A 45 1.286 1.401 8.929 1.00 0.00 N ATOM 652 CA ALA A 45 2.681 1.261 9.312 1.00 0.00 C ATOM 653 C ALA A 45 3.070 2.418 10.235 1.00 0.00 C ATOM 654 O ALA A 45 2.600 3.541 10.061 1.00 0.00 O ATOM 655 CB ALA A 45 3.552 1.197 8.057 1.00 0.00 C ATOM 0 H ALA A 45 0.872 2.307 9.150 1.00 0.00 H new ATOM 0 HA ALA A 45 2.837 0.333 9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.598 1.092 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.255 0.341 7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.425 2.112 7.479 1.00 0.00 H new ATOM 661 N ALA A 46 3.924 2.103 11.198 1.00 0.00 N ATOM 662 CA ALA A 46 4.382 3.103 12.149 1.00 0.00 C ATOM 663 C ALA A 46 4.915 4.318 11.387 1.00 0.00 C ATOM 664 O ALA A 46 4.579 5.456 11.714 1.00 0.00 O ATOM 665 CB ALA A 46 5.433 2.485 13.073 1.00 0.00 C ATOM 0 H ALA A 46 4.311 1.170 11.340 1.00 0.00 H new ATOM 0 HA ALA A 46 3.558 3.443 12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.776 3.235 13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.995 1.645 13.612 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.278 2.134 12.480 1.00 0.00 H new ATOM 671 N THR A 47 5.737 4.035 10.387 1.00 0.00 N ATOM 672 CA THR A 47 6.320 5.091 9.577 1.00 0.00 C ATOM 673 C THR A 47 6.811 4.530 8.242 1.00 0.00 C ATOM 674 O THR A 47 6.971 3.320 8.094 1.00 0.00 O ATOM 675 CB THR A 47 7.425 5.760 10.397 1.00 0.00 C ATOM 676 OG1 THR A 47 8.225 4.673 10.854 1.00 0.00 O ATOM 677 CG2 THR A 47 6.896 6.398 11.683 1.00 0.00 C ATOM 0 H THR A 47 6.013 3.090 10.119 1.00 0.00 H new ATOM 0 HA THR A 47 5.579 5.849 9.323 1.00 0.00 H new ATOM 0 HB THR A 47 7.917 6.520 9.790 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.967 5.017 11.393 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.721 6.858 12.227 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.156 7.159 11.434 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.434 5.632 12.306 1.00 0.00 H new ATOM 685 N CYS A 48 7.034 5.436 7.301 1.00 0.00 N ATOM 686 CA CYS A 48 7.502 5.047 5.982 1.00 0.00 C ATOM 687 C CYS A 48 8.456 3.863 6.141 1.00 0.00 C ATOM 688 O CYS A 48 9.635 4.044 6.441 1.00 0.00 O ATOM 689 CB CYS A 48 8.161 6.215 5.248 1.00 0.00 C ATOM 690 SG CYS A 48 7.732 7.794 6.070 1.00 0.00 S ATOM 0 H CYS A 48 6.899 6.439 7.426 1.00 0.00 H new ATOM 0 HA CYS A 48 6.653 4.749 5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.243 6.084 5.236 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.831 6.235 4.209 1.00 0.00 H new ATOM 0 HG CYS A 48 6.446 7.855 6.248 1.00 0.00 H new ATOM 696 N PRO A 49 7.897 2.640 5.928 1.00 0.00 N ATOM 697 CA PRO A 49 8.685 1.425 6.046 1.00 0.00 C ATOM 698 C PRO A 49 9.609 1.252 4.837 1.00 0.00 C ATOM 699 O PRO A 49 10.415 0.324 4.796 1.00 0.00 O ATOM 700 CB PRO A 49 7.665 0.307 6.180 1.00 0.00 C ATOM 701 CG PRO A 49 6.352 0.875 5.668 1.00 0.00 C ATOM 702 CD PRO A 49 6.505 2.384 5.572 1.00 0.00 C ATOM 0 HA PRO A 49 9.355 1.439 6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.965 -0.566 5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.573 -0.015 7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.107 0.453 4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.535 0.616 6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.281 2.741 4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.822 2.895 6.251 1.00 0.00 H new ATOM 710 N SER A 50 9.459 2.160 3.884 1.00 0.00 N ATOM 711 CA SER A 50 10.268 2.119 2.678 1.00 0.00 C ATOM 712 C SER A 50 11.585 1.390 2.957 1.00 0.00 C ATOM 713 O SER A 50 12.191 1.579 4.009 1.00 0.00 O ATOM 714 CB SER A 50 10.544 3.529 2.152 1.00 0.00 C ATOM 715 OG SER A 50 10.121 3.685 0.800 1.00 0.00 O ATOM 0 H SER A 50 8.789 2.928 3.923 1.00 0.00 H new ATOM 0 HA SER A 50 9.714 1.576 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.030 4.257 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.611 3.741 2.225 1.00 0.00 H new ATOM 0 HG SER A 50 9.203 3.357 0.705 1.00 0.00 H new ATOM 721 N LYS A 51 11.987 0.574 1.993 1.00 0.00 N ATOM 722 CA LYS A 51 13.220 -0.184 2.122 1.00 0.00 C ATOM 723 C LYS A 51 14.362 0.594 1.465 1.00 0.00 C ATOM 724 O LYS A 51 14.730 1.672 1.928 1.00 0.00 O ATOM 725 CB LYS A 51 13.040 -1.599 1.565 1.00 0.00 C ATOM 726 CG LYS A 51 12.496 -2.544 2.639 1.00 0.00 C ATOM 727 CD LYS A 51 13.633 -3.157 3.458 1.00 0.00 C ATOM 728 CE LYS A 51 14.270 -2.114 4.378 1.00 0.00 C ATOM 729 NZ LYS A 51 13.248 -1.513 5.265 1.00 0.00 N ATOM 0 H LYS A 51 11.481 0.421 1.120 1.00 0.00 H new ATOM 0 HA LYS A 51 13.482 -0.310 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.357 -1.576 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.995 -1.973 1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.820 -2.000 3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.913 -3.336 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.251 -3.987 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.389 -3.566 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.053 -2.579 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.745 -1.336 3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.716 -0.936 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.611 -0.912 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.698 -2.268 5.722 1.00 0.00 H new ATOM 743 N LYS A 52 14.892 0.016 0.397 1.00 0.00 N ATOM 744 CA LYS A 52 15.985 0.641 -0.328 1.00 0.00 C ATOM 745 C LYS A 52 16.003 0.119 -1.765 1.00 0.00 C ATOM 746 O LYS A 52 16.011 0.903 -2.714 1.00 0.00 O ATOM 747 CB LYS A 52 17.306 0.438 0.417 1.00 0.00 C ATOM 748 CG LYS A 52 17.213 0.957 1.854 1.00 0.00 C ATOM 749 CD LYS A 52 16.901 -0.178 2.828 1.00 0.00 C ATOM 750 CE LYS A 52 16.775 0.348 4.260 1.00 0.00 C ATOM 751 NZ LYS A 52 17.195 -0.688 5.230 1.00 0.00 N ATOM 0 H LYS A 52 14.585 -0.879 0.016 1.00 0.00 H new ATOM 0 HA LYS A 52 15.838 1.720 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.563 -0.621 0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.107 0.957 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.153 1.433 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.437 1.720 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.974 -0.670 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.689 -0.930 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.390 1.240 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.744 0.642 4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.669 -0.565 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.998 -1.631 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.214 -0.597 5.416 1.00 0.00 H new ATOM 765 N PRO A 53 16.009 -1.235 -1.886 1.00 0.00 N ATOM 766 CA PRO A 53 16.026 -1.871 -3.192 1.00 0.00 C ATOM 767 C PRO A 53 14.653 -1.782 -3.863 1.00 0.00 C ATOM 768 O PRO A 53 14.249 -0.715 -4.319 1.00 0.00 O ATOM 769 CB PRO A 53 16.467 -3.301 -2.928 1.00 0.00 C ATOM 770 CG PRO A 53 16.231 -3.543 -1.445 1.00 0.00 C ATOM 771 CD PRO A 53 16.000 -2.194 -0.784 1.00 0.00 C ATOM 0 HA PRO A 53 16.706 -1.382 -3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.896 -4.004 -3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.517 -3.439 -3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.369 -4.193 -1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.089 -4.045 -0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.051 -2.173 -0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.781 -1.970 -0.058 1.00 0.00 H new ATOM 779 N TYR A 54 13.975 -2.919 -3.900 1.00 0.00 N ATOM 780 CA TYR A 54 12.656 -2.984 -4.508 1.00 0.00 C ATOM 781 C TYR A 54 11.576 -2.530 -3.523 1.00 0.00 C ATOM 782 O TYR A 54 10.769 -1.657 -3.841 1.00 0.00 O ATOM 783 CB TYR A 54 12.424 -4.455 -4.855 1.00 0.00 C ATOM 784 CG TYR A 54 12.990 -5.436 -3.826 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.345 -5.701 -3.797 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.146 -6.055 -2.927 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.877 -6.623 -2.829 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.679 -6.977 -1.957 1.00 0.00 C ATOM 789 CZ TYR A 54 14.018 -7.216 -1.957 1.00 0.00 C ATOM 790 OH TYR A 54 14.521 -8.087 -1.041 1.00 0.00 O ATOM 0 H TYR A 54 14.313 -3.803 -3.519 1.00 0.00 H new ATOM 0 HA TYR A 54 12.604 -2.334 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.353 -4.629 -4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.874 -4.664 -5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.005 -5.216 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.086 -5.848 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.935 -6.839 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.030 -7.467 -1.246 1.00 0.00 H new ATOM 0 HH TYR A 54 13.793 -8.433 -0.484 1.00 0.00 H new ATOM 800 N GLU A 55 11.596 -3.141 -2.348 1.00 0.00 N ATOM 801 CA GLU A 55 10.628 -2.811 -1.315 1.00 0.00 C ATOM 802 C GLU A 55 10.337 -1.309 -1.323 1.00 0.00 C ATOM 803 O GLU A 55 10.760 -0.585 -0.422 1.00 0.00 O ATOM 804 CB GLU A 55 11.117 -3.267 0.060 1.00 0.00 C ATOM 805 CG GLU A 55 10.694 -4.711 0.340 1.00 0.00 C ATOM 806 CD GLU A 55 10.957 -5.086 1.801 1.00 0.00 C ATOM 807 OE1 GLU A 55 10.203 -4.671 2.693 1.00 0.00 O ATOM 808 OE2 GLU A 55 11.988 -5.836 1.993 1.00 0.00 O ATOM 0 H GLU A 55 12.268 -3.863 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 55 9.701 -3.343 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.203 -3.186 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.713 -2.610 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.635 -4.834 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.240 -5.388 -0.317 1.00 0.00 H new ATOM 816 N GLU A 56 9.616 -0.883 -2.350 1.00 0.00 N ATOM 817 CA GLU A 56 9.263 0.521 -2.486 1.00 0.00 C ATOM 818 C GLU A 56 7.975 0.821 -1.717 1.00 0.00 C ATOM 819 O GLU A 56 6.880 0.712 -2.266 1.00 0.00 O ATOM 820 CB GLU A 56 9.125 0.910 -3.960 1.00 0.00 C ATOM 821 CG GLU A 56 10.026 2.099 -4.299 1.00 0.00 C ATOM 822 CD GLU A 56 9.404 2.963 -5.397 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.879 2.427 -6.386 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.478 4.235 -5.199 1.00 0.00 O ATOM 0 H GLU A 56 9.267 -1.485 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 56 10.066 1.121 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.386 0.060 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.087 1.162 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.190 2.702 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.002 1.739 -4.624 1.00 0.00 H new ATOM 832 N VAL A 57 8.151 1.195 -0.458 1.00 0.00 N ATOM 833 CA VAL A 57 7.016 1.513 0.393 1.00 0.00 C ATOM 834 C VAL A 57 6.815 3.029 0.422 1.00 0.00 C ATOM 835 O VAL A 57 7.741 3.787 0.140 1.00 0.00 O ATOM 836 CB VAL A 57 7.220 0.910 1.784 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.888 0.779 2.526 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.933 -0.441 1.697 1.00 0.00 C ATOM 0 H VAL A 57 9.061 1.285 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 57 6.103 1.072 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 57 7.855 1.589 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.062 0.348 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.434 1.764 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.218 0.132 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.065 -0.848 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.334 -1.131 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.908 -0.308 1.228 1.00 0.00 H new ATOM 848 N THR A 58 5.599 3.426 0.769 1.00 0.00 N ATOM 849 CA THR A 58 5.264 4.838 0.840 1.00 0.00 C ATOM 850 C THR A 58 4.645 5.173 2.197 1.00 0.00 C ATOM 851 O THR A 58 5.016 4.587 3.214 1.00 0.00 O ATOM 852 CB THR A 58 4.350 5.167 -0.342 1.00 0.00 C ATOM 853 OG1 THR A 58 4.817 4.320 -1.389 1.00 0.00 O ATOM 854 CG2 THR A 58 4.575 6.581 -0.881 1.00 0.00 C ATOM 0 H THR A 58 4.834 2.794 1.004 1.00 0.00 H new ATOM 0 HA THR A 58 6.156 5.460 0.763 1.00 0.00 H new ATOM 0 HB THR A 58 3.310 5.055 -0.037 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.536 3.398 -1.213 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.901 6.763 -1.718 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.377 7.307 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.607 6.682 -1.217 1.00 0.00 H new ATOM 862 N CYS A 59 3.712 6.113 2.172 1.00 0.00 N ATOM 863 CA CYS A 59 3.038 6.533 3.388 1.00 0.00 C ATOM 864 C CYS A 59 1.650 7.055 3.013 1.00 0.00 C ATOM 865 O CYS A 59 1.336 7.201 1.833 1.00 0.00 O ATOM 866 CB CYS A 59 3.852 7.578 4.154 1.00 0.00 C ATOM 867 SG CYS A 59 5.109 6.750 5.196 1.00 0.00 S ATOM 0 H CYS A 59 3.407 6.596 1.327 1.00 0.00 H new ATOM 0 HA CYS A 59 2.935 5.682 4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.338 8.257 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.191 8.181 4.777 1.00 0.00 H new ATOM 0 HG CYS A 59 6.276 7.276 4.969 1.00 0.00 H new ATOM 873 N CYS A 60 0.855 7.319 4.039 1.00 0.00 N ATOM 874 CA CYS A 60 -0.493 7.820 3.832 1.00 0.00 C ATOM 875 C CYS A 60 -1.148 8.017 5.200 1.00 0.00 C ATOM 876 O CYS A 60 -1.378 7.052 5.928 1.00 0.00 O ATOM 877 CB CYS A 60 -1.312 6.889 2.936 1.00 0.00 C ATOM 878 SG CYS A 60 -2.968 6.613 3.668 1.00 0.00 S ATOM 0 H CYS A 60 1.119 7.195 5.017 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.451 8.776 3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.413 7.324 1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.795 5.937 2.817 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.855 6.471 4.955 1.00 0.00 H new ATOM 884 N SER A 61 -1.430 9.274 5.511 1.00 0.00 N ATOM 885 CA SER A 61 -2.054 9.610 6.780 1.00 0.00 C ATOM 886 C SER A 61 -3.496 10.067 6.549 1.00 0.00 C ATOM 887 O SER A 61 -4.374 9.796 7.366 1.00 0.00 O ATOM 888 CB SER A 61 -1.264 10.697 7.511 1.00 0.00 C ATOM 889 OG SER A 61 -1.640 12.006 7.091 1.00 0.00 O ATOM 0 H SER A 61 -1.238 10.072 4.906 1.00 0.00 H new ATOM 0 HA SER A 61 -2.058 8.718 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.424 10.601 8.585 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.198 10.552 7.334 1.00 0.00 H new ATOM 0 HG SER A 61 -1.114 12.671 7.582 1.00 0.00 H new ATOM 895 N THR A 62 -3.694 10.752 5.434 1.00 0.00 N ATOM 896 CA THR A 62 -5.014 11.250 5.085 1.00 0.00 C ATOM 897 C THR A 62 -6.056 10.139 5.225 1.00 0.00 C ATOM 898 O THR A 62 -5.707 8.964 5.333 1.00 0.00 O ATOM 899 CB THR A 62 -4.941 11.840 3.676 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.581 11.657 3.292 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.129 13.359 3.665 1.00 0.00 C ATOM 0 H THR A 62 -2.962 10.975 4.759 1.00 0.00 H new ATOM 0 HA THR A 62 -5.331 12.039 5.766 1.00 0.00 H new ATOM 0 HB THR A 62 -5.703 11.375 3.050 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.337 10.713 3.393 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.068 13.726 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.105 13.608 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.348 13.827 4.265 1.00 0.00 H new ATOM 909 N ASP A 63 -7.317 10.549 5.219 1.00 0.00 N ATOM 910 CA ASP A 63 -8.413 9.602 5.346 1.00 0.00 C ATOM 911 C ASP A 63 -8.539 8.799 4.049 1.00 0.00 C ATOM 912 O ASP A 63 -9.055 9.302 3.051 1.00 0.00 O ATOM 913 CB ASP A 63 -9.740 10.325 5.584 1.00 0.00 C ATOM 914 CG ASP A 63 -10.124 10.503 7.054 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.546 9.549 7.724 1.00 0.00 O ATOM 916 OD2 ASP A 63 -9.972 11.698 7.516 1.00 0.00 O ATOM 0 H ASP A 63 -7.604 11.524 5.128 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.200 8.950 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.690 11.308 5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.533 9.772 5.081 1.00 0.00 H new ATOM 922 N LYS A 64 -8.058 7.566 4.105 1.00 0.00 N ATOM 923 CA LYS A 64 -8.110 6.689 2.949 1.00 0.00 C ATOM 924 C LYS A 64 -7.202 7.245 1.851 1.00 0.00 C ATOM 925 O LYS A 64 -7.622 7.387 0.703 1.00 0.00 O ATOM 926 CB LYS A 64 -9.558 6.480 2.500 1.00 0.00 C ATOM 927 CG LYS A 64 -10.387 5.829 3.608 1.00 0.00 C ATOM 928 CD LYS A 64 -11.868 5.776 3.227 1.00 0.00 C ATOM 929 CE LYS A 64 -12.618 4.753 4.083 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.966 5.256 4.429 1.00 0.00 N ATOM 0 H LYS A 64 -7.630 7.154 4.934 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.733 5.699 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.999 7.438 2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.579 5.853 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.020 4.820 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.266 6.390 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.316 6.761 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.967 5.516 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.703 3.810 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.055 4.549 4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.461 4.550 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.879 6.144 4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.507 5.428 3.557 1.00 0.00 H new ATOM 944 N CYS A 65 -5.972 7.547 2.242 1.00 0.00 N ATOM 945 CA CYS A 65 -5.000 8.085 1.306 1.00 0.00 C ATOM 946 C CYS A 65 -4.088 6.943 0.850 1.00 0.00 C ATOM 947 O CYS A 65 -2.936 7.172 0.485 1.00 0.00 O ATOM 948 CB CYS A 65 -4.205 9.240 1.918 1.00 0.00 C ATOM 949 SG CYS A 65 -3.841 8.888 3.676 1.00 0.00 S ATOM 0 H CYS A 65 -5.627 7.429 3.195 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.516 8.503 0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.275 9.384 1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.772 10.167 1.834 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.005 7.619 3.908 1.00 0.00 H new ATOM 955 N ASN A 66 -4.639 5.739 0.886 1.00 0.00 N ATOM 956 CA ASN A 66 -3.890 4.561 0.482 1.00 0.00 C ATOM 957 C ASN A 66 -4.445 4.040 -0.846 1.00 0.00 C ATOM 958 O ASN A 66 -4.104 2.939 -1.275 1.00 0.00 O ATOM 959 CB ASN A 66 -4.018 3.444 1.519 1.00 0.00 C ATOM 960 CG ASN A 66 -2.655 3.089 2.114 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.411 1.979 2.557 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.782 4.092 2.101 1.00 0.00 N ATOM 0 H ASN A 66 -5.595 5.553 1.189 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.842 4.844 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.695 3.757 2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.457 2.561 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.844 3.956 2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.051 4.997 1.715 1.00 0.00 H new ATOM 969 N PRO A 67 -5.312 4.878 -1.475 1.00 0.00 N ATOM 970 CA PRO A 67 -5.917 4.514 -2.745 1.00 0.00 C ATOM 971 C PRO A 67 -4.909 4.642 -3.888 1.00 0.00 C ATOM 972 O PRO A 67 -5.028 5.532 -4.728 1.00 0.00 O ATOM 973 CB PRO A 67 -7.109 5.445 -2.895 1.00 0.00 C ATOM 974 CG PRO A 67 -6.857 6.600 -1.939 1.00 0.00 C ATOM 975 CD PRO A 67 -5.738 6.189 -0.995 1.00 0.00 C ATOM 0 HA PRO A 67 -6.237 3.473 -2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.201 5.800 -3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.039 4.932 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.580 7.498 -2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.762 6.836 -1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.917 6.905 -1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.088 6.139 0.036 1.00 0.00 H new ATOM 983 N HIS A 68 -3.940 3.738 -3.885 1.00 0.00 N ATOM 984 CA HIS A 68 -2.912 3.739 -4.912 1.00 0.00 C ATOM 985 C HIS A 68 -3.532 4.125 -6.257 1.00 0.00 C ATOM 986 O HIS A 68 -4.735 3.967 -6.460 1.00 0.00 O ATOM 987 CB HIS A 68 -2.187 2.392 -4.957 1.00 0.00 C ATOM 988 CG HIS A 68 -3.111 1.200 -5.003 1.00 0.00 C ATOM 989 ND1 HIS A 68 -3.052 0.244 -6.003 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.117 0.817 -4.163 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.985 -0.668 -5.765 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.643 -0.310 -4.626 1.00 0.00 N ATOM 0 H HIS A 68 -3.845 3.000 -3.187 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.154 4.485 -4.673 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.537 2.369 -5.832 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.544 2.307 -4.081 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.402 0.242 -6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.431 1.342 -3.273 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.188 -1.541 -6.368 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.657 4.636 -7.166 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.106 5.046 -8.486 1.00 0.00 C ATOM 1003 C PRO A 69 -3.375 3.829 -9.375 1.00 0.00 C ATOM 1004 O PRO A 69 -2.442 3.210 -9.884 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.997 5.938 -9.019 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.770 5.625 -8.180 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.226 4.837 -6.961 1.00 0.00 C ATOM 0 HA PRO A 69 -4.054 5.584 -8.461 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.809 5.739 -10.074 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.269 6.990 -8.936 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.049 5.048 -8.759 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.271 6.545 -7.875 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.699 3.886 -6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.031 5.385 -6.039 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.654 3.524 -9.536 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.056 2.393 -10.355 1.00 0.00 C ATOM 1017 C LYS A 70 -6.540 2.522 -10.700 1.00 0.00 C ATOM 1018 O LYS A 70 -6.947 2.232 -11.825 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.698 1.076 -9.662 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.826 1.325 -8.430 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.553 2.201 -7.409 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.023 1.792 -7.288 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.793 2.838 -6.576 1.00 0.00 N ATOM 0 H LYS A 70 -5.425 4.040 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.508 2.390 -11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.610 0.556 -9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.171 0.425 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.558 0.373 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.896 1.807 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.066 2.115 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.486 3.247 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.445 1.632 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.101 0.846 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.086 2.480 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.199 3.682 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.636 3.087 -7.132 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.310 2.957 -9.714 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.741 3.127 -9.900 1.00 0.00 C ATOM 1039 C GLN A 71 -9.016 4.010 -11.119 1.00 0.00 C ATOM 1040 O GLN A 71 -9.281 5.202 -10.980 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.392 3.711 -8.644 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.716 2.609 -7.633 1.00 0.00 C ATOM 1043 CD GLN A 71 -9.992 3.198 -6.248 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -10.957 3.913 -6.030 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.093 2.861 -5.328 1.00 0.00 N ATOM 0 H GLN A 71 -6.970 3.197 -8.783 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.183 2.147 -10.077 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.723 4.442 -8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.305 4.240 -8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.585 2.044 -7.971 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.883 1.908 -7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.309 2.259 -5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.188 3.205 -4.372 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.944 3.388 -12.287 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.181 4.102 -13.530 1.00 0.00 C ATOM 1056 C ARG A 72 -9.364 3.113 -14.684 1.00 0.00 C ATOM 1057 O ARG A 72 -8.594 2.163 -14.819 1.00 0.00 O ATOM 1058 CB ARG A 72 -8.022 5.045 -13.855 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.948 5.328 -15.357 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.898 4.442 -16.031 1.00 0.00 C ATOM 1061 NE ARG A 72 -5.918 5.281 -16.756 1.00 0.00 N ATOM 1062 CZ ARG A 72 -4.887 5.920 -16.165 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.693 5.824 -14.834 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -4.072 6.644 -16.911 1.00 0.00 N ATOM 0 H ARG A 72 -8.725 2.398 -12.399 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.089 4.692 -13.404 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.147 5.981 -13.311 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.084 4.603 -13.518 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.923 5.153 -15.812 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.703 6.377 -15.521 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.387 3.836 -15.283 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.382 3.753 -16.723 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.029 5.383 -17.765 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.328 5.265 -14.265 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.911 6.311 -14.396 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.227 6.713 -17.917 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.287 7.134 -16.481 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.413 3.377 -15.507 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.706 2.521 -16.644 1.00 0.00 C ATOM 1080 C PRO A 73 -9.709 2.760 -17.781 1.00 0.00 C ATOM 1081 O PRO A 73 -9.649 3.855 -18.339 1.00 0.00 O ATOM 1082 CB PRO A 73 -12.138 2.857 -17.030 1.00 0.00 C ATOM 1083 CG PRO A 73 -12.435 4.205 -16.398 1.00 0.00 C ATOM 1084 CD PRO A 73 -11.345 4.493 -15.377 1.00 0.00 C ATOM 0 HA PRO A 73 -10.609 1.461 -16.409 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.250 2.900 -18.113 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.829 2.095 -16.668 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.461 4.985 -17.158 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.414 4.194 -15.918 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.854 5.445 -15.579 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.753 4.553 -14.368 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.953 1.717 -18.090 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.962 1.799 -19.149 1.00 0.00 C ATOM 1094 C GLY A 74 -7.162 0.499 -19.255 1.00 0.00 C ATOM 1095 O GLY A 74 -6.254 0.390 -20.077 1.00 0.00 O ATOM 0 H GLY A 74 -9.007 0.811 -17.625 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.456 2.004 -20.099 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.286 2.631 -18.955 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.236 -10.377 -10.824 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.606 -9.994 -9.472 1.00 0.00 C ATOM 1102 C HIS B 1 -6.359 -9.542 -8.707 1.00 0.00 C ATOM 1103 O HIS B 1 -5.679 -10.358 -8.086 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.353 -11.128 -8.770 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.246 -11.097 -7.264 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -9.148 -10.418 -6.462 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -7.336 -11.666 -6.423 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -8.786 -10.579 -5.198 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -7.663 -11.351 -5.175 1.00 0.00 N ATOM 0 H1 HIS B 1 -8.026 -10.885 -11.269 1.00 0.00 H new ATOM 0 H2 HIS B 1 -7.016 -9.525 -11.378 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.400 -10.995 -10.793 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.295 -9.150 -9.506 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.406 -11.083 -9.050 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.967 -12.081 -9.131 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -6.492 -12.270 -6.721 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -9.292 -10.170 -4.336 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -7.157 -11.639 -4.337 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.099 -8.245 -8.777 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.945 -7.676 -8.099 1.00 0.00 C ATOM 1120 C ARG B 2 -5.121 -6.165 -7.931 1.00 0.00 C ATOM 1121 O ARG B 2 -6.063 -5.583 -8.465 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.658 -7.951 -8.878 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.874 -9.105 -8.252 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.575 -8.605 -7.615 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.179 -9.499 -6.504 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.939 -9.737 -5.414 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.145 -9.145 -5.279 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.485 -10.554 -4.483 1.00 0.00 N ATOM 0 H ARG B 2 -6.666 -7.572 -9.292 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.869 -8.147 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.900 -8.190 -9.914 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -3.040 -7.053 -8.894 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.487 -9.598 -7.497 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.646 -9.850 -9.014 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.784 -8.569 -8.364 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.710 -7.589 -7.245 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.274 -9.965 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.487 -8.513 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.714 -9.329 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.572 -10.995 -4.593 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.047 -10.744 -3.653 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.198 -5.575 -7.187 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.238 -4.143 -6.942 1.00 0.00 C ATOM 1144 C TYR B 3 -2.999 -3.454 -7.515 1.00 0.00 C ATOM 1145 O TYR B 3 -2.429 -2.567 -6.882 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.244 -3.976 -5.422 1.00 0.00 C ATOM 1147 CG TYR B 3 -3.676 -5.175 -4.661 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -2.327 -5.233 -4.372 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -4.511 -6.199 -4.265 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -1.793 -6.364 -3.657 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -3.977 -7.329 -3.550 1.00 0.00 C ATOM 1152 CZ TYR B 3 -2.644 -7.355 -3.280 1.00 0.00 C ATOM 1153 OH TYR B 3 -2.139 -8.422 -2.604 1.00 0.00 O ATOM 0 H TYR B 3 -3.418 -6.062 -6.746 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.113 -3.697 -7.415 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.668 -3.088 -5.162 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.267 -3.800 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -1.673 -4.431 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.566 -6.153 -4.491 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -0.740 -6.423 -3.426 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -4.620 -8.138 -3.235 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.726 -8.639 -1.850 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.615 -3.888 -8.707 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.454 -3.324 -9.372 1.00 0.00 C ATOM 1165 C TYR B 4 -1.596 -1.809 -9.534 1.00 0.00 C ATOM 1166 O TYR B 4 -2.636 -1.240 -9.203 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.406 -3.970 -10.758 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.381 -5.098 -10.884 1.00 0.00 C ATOM 1169 CD1 TYR B 4 0.922 -4.809 -11.239 1.00 0.00 C ATOM 1170 CD2 TYR B 4 -0.757 -6.403 -10.643 1.00 0.00 C ATOM 1171 CE1 TYR B 4 1.888 -5.870 -11.358 1.00 0.00 C ATOM 1172 CE2 TYR B 4 0.210 -7.464 -10.762 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.483 -7.145 -11.113 1.00 0.00 C ATOM 1174 OH TYR B 4 2.397 -8.149 -11.225 1.00 0.00 O ATOM 0 H TYR B 4 -3.089 -4.625 -9.229 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.551 -3.512 -8.791 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.394 -4.362 -10.999 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.179 -3.202 -11.498 1.00 0.00 H new ATOM 0 HD1 TYR B 4 1.216 -3.787 -11.427 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -1.776 -6.629 -10.365 1.00 0.00 H new ATOM 0 HE1 TYR B 4 2.910 -5.658 -11.635 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -0.071 -8.490 -10.576 1.00 0.00 H new ATOM 0 HH TYR B 4 3.162 -7.961 -10.642 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.536 -1.198 -10.040 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.529 0.241 -10.249 1.00 0.00 C ATOM 1186 C GLU B 5 -1.078 0.578 -11.638 1.00 0.00 C ATOM 1187 O GLU B 5 -0.556 1.461 -12.316 1.00 0.00 O ATOM 1188 CB GLU B 5 0.876 0.815 -10.059 1.00 0.00 C ATOM 1189 CG GLU B 5 1.705 0.670 -11.338 1.00 0.00 C ATOM 1190 CD GLU B 5 2.134 2.038 -11.872 1.00 0.00 C ATOM 1191 OE1 GLU B 5 3.259 2.184 -12.371 1.00 0.00 O ATOM 1192 OE2 GLU B 5 1.249 2.970 -11.756 1.00 0.00 O ATOM 0 H GLU B 5 0.325 -1.672 -10.312 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.177 0.701 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.809 1.867 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.375 0.301 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.587 0.061 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.122 0.146 -12.096 1.00 0.00 H new ATOM 1200 N SER B 6 -2.121 -0.143 -12.017 1.00 0.00 N ATOM 1201 CA SER B 6 -2.746 0.068 -13.312 1.00 0.00 C ATOM 1202 C SER B 6 -4.261 -0.108 -13.199 1.00 0.00 C ATOM 1203 O SER B 6 -5.002 0.243 -14.115 1.00 0.00 O ATOM 1204 CB SER B 6 -2.178 -0.890 -14.361 1.00 0.00 C ATOM 1205 OG SER B 6 -2.843 -0.766 -15.615 1.00 0.00 O ATOM 0 H SER B 6 -2.550 -0.875 -11.450 1.00 0.00 H new ATOM 0 HA SER B 6 -2.528 1.087 -13.633 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.114 -0.692 -14.494 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.269 -1.915 -14.002 1.00 0.00 H new ATOM 0 HG SER B 6 -3.716 -0.342 -15.482 1.00 0.00 H new ATOM 1211 N SER B 7 -4.677 -0.651 -12.064 1.00 0.00 N ATOM 1212 CA SER B 7 -6.092 -0.879 -11.817 1.00 0.00 C ATOM 1213 C SER B 7 -6.310 -1.286 -10.359 1.00 0.00 C ATOM 1214 O SER B 7 -5.351 -1.546 -9.633 1.00 0.00 O ATOM 1215 CB SER B 7 -6.648 -1.950 -12.757 1.00 0.00 C ATOM 1216 OG SER B 7 -8.019 -2.231 -12.492 1.00 0.00 O ATOM 0 H SER B 7 -4.060 -0.940 -11.305 1.00 0.00 H new ATOM 0 HA SER B 7 -6.628 0.050 -12.011 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.539 -1.619 -13.790 1.00 0.00 H new ATOM 0 HB3 SER B 7 -6.063 -2.864 -12.652 1.00 0.00 H new ATOM 0 HG SER B 7 -8.549 -1.415 -12.608 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.576 -1.330 -9.973 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.933 -1.701 -8.614 1.00 0.00 C ATOM 1224 C LEU B 8 -8.940 -2.853 -8.652 1.00 0.00 C ATOM 1225 O LEU B 8 -9.023 -3.640 -7.711 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.426 -0.479 -7.837 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.682 -0.693 -6.343 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -10.154 -1.015 -6.080 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -7.750 -1.766 -5.776 1.00 0.00 C ATOM 0 H LEU B 8 -8.368 -1.115 -10.578 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.057 -2.061 -8.075 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.692 0.319 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.350 -0.129 -8.297 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.458 0.237 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -10.309 -1.162 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.775 -0.188 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.429 -1.924 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.952 -1.899 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.919 -2.708 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.714 -1.457 -5.912 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.677 -2.916 -9.750 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.674 -3.959 -9.924 1.00 0.00 C ATOM 1243 C GLU B 9 -10.012 -5.254 -10.397 1.00 0.00 C ATOM 1244 O GLU B 9 -9.048 -5.219 -11.160 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.769 -3.515 -10.896 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.299 -2.127 -10.529 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.463 -2.228 -9.540 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -14.114 -3.280 -9.455 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.680 -1.165 -8.844 1.00 0.00 O ATOM 0 H GLU B 9 -9.604 -2.262 -10.529 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.145 -4.147 -8.959 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.374 -3.500 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.587 -4.236 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.497 -1.531 -10.093 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.627 -1.609 -11.430 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.571 -6.395 -9.914 1.00 0.00 N ATOM 1258 CA PRO B 10 -10.045 -7.700 -10.280 1.00 0.00 C ATOM 1259 C PRO B 10 -10.443 -8.069 -11.711 1.00 0.00 C ATOM 1260 O PRO B 10 -10.544 -9.249 -12.045 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.607 -8.657 -9.241 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.790 -7.941 -8.612 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.714 -6.475 -9.009 1.00 0.00 C ATOM 0 HA PRO B 10 -8.955 -7.730 -10.280 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.918 -9.595 -9.701 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.856 -8.904 -8.491 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.727 -8.381 -8.953 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.766 -8.044 -7.527 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.631 -6.150 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.575 -5.835 -8.137 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.658 -7.040 -12.516 1.00 0.00 N ATOM 1272 CA TRP B 11 -11.043 -7.241 -13.902 1.00 0.00 C ATOM 1273 C TRP B 11 -10.051 -6.481 -14.785 1.00 0.00 C ATOM 1274 O TRP B 11 -9.680 -6.955 -15.857 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.495 -6.819 -14.135 1.00 0.00 C ATOM 1276 CG TRP B 11 -13.222 -7.647 -15.197 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.159 -8.970 -15.397 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -14.129 -7.148 -16.203 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.956 -9.361 -16.454 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.566 -8.219 -16.959 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.568 -5.840 -16.464 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.462 -8.087 -18.027 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -15.464 -5.725 -17.535 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.912 -6.791 -18.307 1.00 0.00 C ATOM 0 H TRP B 11 -10.573 -6.063 -12.235 1.00 0.00 H new ATOM 0 HA TRP B 11 -11.002 -8.298 -14.163 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -13.040 -6.895 -13.194 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.515 -5.770 -14.431 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.560 -9.646 -14.805 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -14.075 -10.313 -16.801 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -14.241 -4.989 -15.885 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.789 -8.940 -18.604 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.832 -4.739 -17.778 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -16.604 -6.620 -19.119 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.648 -5.317 -14.299 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.705 -4.487 -15.030 1.00 0.00 C ATOM 1297 C TYR B 12 -7.273 -4.736 -14.556 1.00 0.00 C ATOM 1298 O TYR B 12 -6.337 -4.707 -15.356 1.00 0.00 O ATOM 1299 CB TYR B 12 -9.088 -3.039 -14.717 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.236 -2.499 -15.574 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.434 -3.181 -15.630 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.073 -1.330 -16.289 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.513 -2.674 -16.435 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.152 -0.822 -17.095 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.319 -1.519 -17.129 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.339 -1.039 -17.889 1.00 0.00 O ATOM 0 H TYR B 12 -9.957 -4.928 -13.408 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.744 -4.710 -16.096 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.368 -2.967 -13.666 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.213 -2.404 -14.858 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -11.562 -4.095 -15.070 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -9.135 -0.796 -16.244 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -13.456 -3.198 -16.488 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -11.037 0.092 -17.660 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.058 -0.208 -18.326 1.00 0.00 H new ATOM 1316 N PRO B 13 -7.141 -4.984 -13.226 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.838 -5.239 -12.637 1.00 0.00 C ATOM 1318 C PRO B 13 -5.347 -6.646 -12.981 1.00 0.00 C ATOM 1319 O PRO B 13 -4.158 -6.850 -13.224 1.00 0.00 O ATOM 1320 CB PRO B 13 -6.033 -5.026 -11.144 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.530 -5.117 -10.902 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.226 -5.026 -12.250 1.00 0.00 C ATOM 0 HA PRO B 13 -5.064 -4.575 -13.023 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.498 -5.781 -10.569 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.646 -4.055 -10.834 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.780 -6.055 -10.406 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.860 -4.311 -10.247 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.877 -5.884 -12.418 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.851 -4.135 -12.314 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.285 -7.581 -12.990 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.962 -8.964 -13.300 1.00 0.00 C ATOM 1332 C ASP B 14 -7.252 -9.788 -13.336 1.00 0.00 C ATOM 1333 O ASP B 14 -8.348 -9.232 -13.338 1.00 0.00 O ATOM 1334 CB ASP B 14 -5.044 -9.567 -12.236 1.00 0.00 C ATOM 1335 CG ASP B 14 -5.038 -11.096 -12.180 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.138 -11.695 -11.099 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.920 -11.682 -13.323 1.00 0.00 O ATOM 0 H ASP B 14 -7.270 -7.408 -12.788 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.456 -8.985 -14.265 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -4.026 -9.221 -12.417 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.342 -9.184 -11.260 1.00 0.00 H new