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+ 141:sc= -5.4! (180deg=-4.34!) USER MOD Set 1.2: A 71 GLN : amide:sc= -2.68! K(o=-8.1!,f=-0.7) USER MOD Set 2.1: A 3 CYS SG : rot -100:sc= -12! USER MOD Set 2.2: A 16 CYS SG : rot 120:sc= -5.41! USER MOD Set 2.3: A 23 CYS SG : rot -85:sc= -11.5! 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= -21.5! USER MOD Set 2.6: A 62 THR OG1 : rot 57:sc= -1.22! USER MOD Set 2.7: A 65 CYS SG : rot 17:sc= -27! USER MOD Set 2.8: A 66 ASN : amide:sc= -11.2! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -43:sc= 0.211! USER MOD Set 3.2: A 59 CYS SG : rot 131:sc= -9.32! USER MOD Set 4.1: A 29 CYS SG : rot -144:sc= -3.94! USER MOD Set 4.2: A 33 CYS SG : rot -61:sc= 1.61! USER MOD Set 5.1: A 5 THR OG1 : rot -26:sc= 1.27! USER MOD Set 5.2: A 8 THR OG1 : rot 78:sc= -1.39 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 1 ILE N :NH3+ -111:sc= -0.193 (180deg=-0.446) USER MOD Single : A 4 HIS : no HD1:sc= -14.1! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -75:sc= -3.01 USER MOD Single : A 12 SER OG : rot 180:sc= -1.07 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 21 ASN : amide:sc= -5.65! K(o=-5.7!,f=-2) 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 144:sc= -1.35 (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+ -106:sc= 0.897 (180deg=-0.767) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 46:sc= 1.12 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.983 (180deg=-1.34) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.77) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 74:sc=-0.00845 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -37.6! C(o=-38!,f=-44!) USER MOD Single : B 1 HIS : no HD1:sc= -0.0982 X(o=-0.098,f=-0.42) USER MOD Single : B 1 HIS N :NH3+ -159:sc= -10.8! (180deg=-12.4!) USER MOD Single : B 3 TYR OH : rot 127:sc= 0.138 USER MOD Single : B 4 TYR OH : rot -110:sc= -0.457 USER MOD Single : B 6 SER OG : rot 120:sc= -0.117 USER MOD Single : B 7 SER OG : rot 62:sc= -7.24! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.957 6.522 12.228 1.00 0.00 N ATOM 2 CA ILE A 1 -6.567 6.667 10.917 1.00 0.00 C ATOM 3 C ILE A 1 -6.851 5.280 10.336 1.00 0.00 C ATOM 4 O ILE A 1 -6.755 4.275 11.040 1.00 0.00 O ATOM 5 CB ILE A 1 -5.698 7.545 10.015 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.307 6.935 9.830 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.629 8.977 10.546 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.592 7.552 8.628 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.623 6.845 12.958 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.720 5.523 12.392 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.090 7.095 12.273 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.524 7.182 10.997 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.164 7.588 9.030 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.714 7.094 10.731 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.394 5.857 9.692 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -5.005 9.580 9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.633 9.400 10.583 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.200 8.973 11.548 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.606 7.100 8.520 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.175 7.371 7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.484 8.626 8.781 1.00 0.00 H new ATOM 20 N VAL A 2 -7.197 5.269 9.058 1.00 0.00 N ATOM 21 CA VAL A 2 -7.496 4.022 8.374 1.00 0.00 C ATOM 22 C VAL A 2 -6.593 3.889 7.146 1.00 0.00 C ATOM 23 O VAL A 2 -6.131 4.889 6.598 1.00 0.00 O ATOM 24 CB VAL A 2 -8.986 3.958 8.031 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.426 2.517 7.766 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.831 4.597 9.134 1.00 0.00 C ATOM 0 H VAL A 2 -7.277 6.104 8.477 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.289 3.171 9.023 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.144 4.529 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.489 2.500 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.857 2.111 6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.246 1.912 8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.886 4.538 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.666 4.067 10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.545 5.642 9.252 1.00 0.00 H new ATOM 36 N CYS A 3 -6.368 2.645 6.748 1.00 0.00 N ATOM 37 CA CYS A 3 -5.529 2.369 5.594 1.00 0.00 C ATOM 38 C CYS A 3 -6.119 1.170 4.847 1.00 0.00 C ATOM 39 O CYS A 3 -6.734 0.297 5.456 1.00 0.00 O ATOM 40 CB CYS A 3 -4.073 2.129 6.000 1.00 0.00 C ATOM 41 SG CYS A 3 -3.669 3.106 7.493 1.00 0.00 S ATOM 0 H CYS A 3 -6.752 1.817 7.204 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.516 3.236 4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.911 1.069 6.195 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.408 2.408 5.182 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.024 4.180 7.147 1.00 0.00 H new ATOM 47 N HIS A 4 -5.909 1.169 3.539 1.00 0.00 N ATOM 48 CA HIS A 4 -6.413 0.093 2.702 1.00 0.00 C ATOM 49 C HIS A 4 -5.417 -1.069 2.706 1.00 0.00 C ATOM 50 O HIS A 4 -4.208 -0.854 2.759 1.00 0.00 O ATOM 51 CB HIS A 4 -6.725 0.602 1.293 1.00 0.00 C ATOM 52 CG HIS A 4 -7.368 1.968 1.261 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.610 2.226 1.816 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.927 3.147 0.738 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.894 3.505 1.627 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.850 4.075 0.959 1.00 0.00 N ATOM 0 H HIS A 4 -5.397 1.895 3.038 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.354 -0.279 3.108 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.801 0.633 0.716 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.385 -0.111 0.798 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.986 3.300 0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.794 4.009 1.946 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.789 5.053 0.676 1.00 0.00 H new ATOM 65 N THR A 5 -5.963 -2.275 2.650 1.00 0.00 N ATOM 66 CA THR A 5 -5.139 -3.470 2.646 1.00 0.00 C ATOM 67 C THR A 5 -5.205 -4.159 1.282 1.00 0.00 C ATOM 68 O THR A 5 -6.263 -4.637 0.873 1.00 0.00 O ATOM 69 CB THR A 5 -5.597 -4.364 3.801 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.620 -5.177 3.227 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.319 -3.579 4.898 1.00 0.00 C ATOM 0 H THR A 5 -6.967 -2.449 2.607 1.00 0.00 H new ATOM 0 HA THR A 5 -4.088 -3.226 2.801 1.00 0.00 H new ATOM 0 HB THR A 5 -4.734 -4.876 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.021 -4.709 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.623 -4.260 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.649 -2.822 5.305 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.201 -3.095 4.479 1.00 0.00 H new ATOM 79 N THR A 6 -4.060 -4.190 0.615 1.00 0.00 N ATOM 80 CA THR A 6 -3.974 -4.813 -0.695 1.00 0.00 C ATOM 81 C THR A 6 -3.300 -6.183 -0.592 1.00 0.00 C ATOM 82 O THR A 6 -3.416 -7.005 -1.500 1.00 0.00 O ATOM 83 CB THR A 6 -3.246 -3.848 -1.631 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.804 -2.800 -0.773 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.194 -3.151 -2.608 1.00 0.00 C ATOM 0 H THR A 6 -3.185 -3.794 0.957 1.00 0.00 H new ATOM 0 HA THR A 6 -4.965 -5.003 -1.107 1.00 0.00 H new ATOM 0 HB THR A 6 -2.484 -4.391 -2.189 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.565 -2.231 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.625 -2.477 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.697 -3.898 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.936 -2.580 -2.050 1.00 0.00 H new ATOM 93 N ALA A 7 -2.613 -6.386 0.523 1.00 0.00 N ATOM 94 CA ALA A 7 -1.922 -7.642 0.757 1.00 0.00 C ATOM 95 C ALA A 7 -2.902 -8.658 1.347 1.00 0.00 C ATOM 96 O ALA A 7 -3.000 -9.784 0.865 1.00 0.00 O ATOM 97 CB ALA A 7 -0.714 -7.397 1.666 1.00 0.00 C ATOM 0 H ALA A 7 -2.520 -5.702 1.274 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.547 -8.055 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.194 -8.339 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.035 -6.692 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.052 -6.985 2.617 1.00 0.00 H new ATOM 103 N THR A 8 -3.603 -8.220 2.385 1.00 0.00 N ATOM 104 CA THR A 8 -4.570 -9.078 3.047 1.00 0.00 C ATOM 105 C THR A 8 -5.823 -9.234 2.183 1.00 0.00 C ATOM 106 O THR A 8 -5.814 -9.969 1.197 1.00 0.00 O ATOM 107 CB THR A 8 -4.855 -8.488 4.430 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.726 -7.083 4.242 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.765 -8.830 5.448 1.00 0.00 C ATOM 0 H THR A 8 -3.520 -7.284 2.782 1.00 0.00 H new ATOM 0 HA THR A 8 -4.179 -10.086 3.182 1.00 0.00 H new ATOM 0 HB THR A 8 -5.816 -8.855 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.536 -6.734 3.815 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.016 -8.388 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.692 -9.912 5.553 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.809 -8.434 5.105 1.00 0.00 H new ATOM 117 N SER A 9 -6.872 -8.529 2.584 1.00 0.00 N ATOM 118 CA SER A 9 -8.130 -8.580 1.860 1.00 0.00 C ATOM 119 C SER A 9 -7.942 -8.025 0.446 1.00 0.00 C ATOM 120 O SER A 9 -6.819 -7.932 -0.045 1.00 0.00 O ATOM 121 CB SER A 9 -9.222 -7.801 2.596 1.00 0.00 C ATOM 122 OG SER A 9 -8.954 -7.699 3.992 1.00 0.00 O ATOM 0 H SER A 9 -6.875 -7.919 3.402 1.00 0.00 H new ATOM 0 HA SER A 9 -8.446 -9.621 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.306 -6.802 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.183 -8.293 2.446 1.00 0.00 H new ATOM 0 HG SER A 9 -9.672 -7.194 4.427 1.00 0.00 H new ATOM 128 N PRO A 10 -9.091 -7.657 -0.184 1.00 0.00 N ATOM 129 CA PRO A 10 -9.064 -7.113 -1.531 1.00 0.00 C ATOM 130 C PRO A 10 -8.563 -5.667 -1.528 1.00 0.00 C ATOM 131 O PRO A 10 -7.611 -5.334 -2.233 1.00 0.00 O ATOM 132 CB PRO A 10 -10.490 -7.246 -2.037 1.00 0.00 C ATOM 133 CG PRO A 10 -11.356 -7.429 -0.802 1.00 0.00 C ATOM 134 CD PRO A 10 -10.439 -7.752 0.367 1.00 0.00 C ATOM 0 HA PRO A 10 -8.372 -7.643 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.790 -6.360 -2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.587 -8.097 -2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.928 -6.524 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.076 -8.233 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.582 -7.050 1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.636 -8.749 0.762 1.00 0.00 H new ATOM 142 N ILE A 11 -9.226 -4.846 -0.727 1.00 0.00 N ATOM 143 CA ILE A 11 -8.861 -3.444 -0.623 1.00 0.00 C ATOM 144 C ILE A 11 -9.985 -2.679 0.078 1.00 0.00 C ATOM 145 O ILE A 11 -11.016 -2.389 -0.530 1.00 0.00 O ATOM 146 CB ILE A 11 -8.499 -2.882 -1.999 1.00 0.00 C ATOM 147 CG1 ILE A 11 -6.996 -2.606 -2.101 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.332 -1.640 -2.321 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.631 -2.060 -3.482 1.00 0.00 C ATOM 0 H ILE A 11 -10.015 -5.126 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.967 -3.327 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.740 -3.635 -2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.701 -1.890 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.440 -3.524 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.055 -1.261 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.390 -1.901 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.145 -0.872 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.558 -1.873 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.905 -2.788 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.170 -1.129 -3.659 1.00 0.00 H new ATOM 161 N SER A 12 -9.749 -2.373 1.344 1.00 0.00 N ATOM 162 CA SER A 12 -10.731 -1.647 2.133 1.00 0.00 C ATOM 163 C SER A 12 -10.036 -0.899 3.273 1.00 0.00 C ATOM 164 O SER A 12 -9.131 -1.435 3.911 1.00 0.00 O ATOM 165 CB SER A 12 -11.797 -2.592 2.691 1.00 0.00 C ATOM 166 OG SER A 12 -11.302 -3.379 3.772 1.00 0.00 O ATOM 0 H SER A 12 -8.893 -2.614 1.844 1.00 0.00 H new ATOM 0 HA SER A 12 -11.227 -0.927 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.655 -2.011 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.150 -3.249 1.896 1.00 0.00 H new ATOM 0 HG SER A 12 -12.013 -3.967 4.101 1.00 0.00 H new ATOM 172 N ALA A 13 -10.486 0.327 3.493 1.00 0.00 N ATOM 173 CA ALA A 13 -9.918 1.156 4.544 1.00 0.00 C ATOM 174 C ALA A 13 -10.434 0.674 5.902 1.00 0.00 C ATOM 175 O ALA A 13 -11.536 1.033 6.314 1.00 0.00 O ATOM 176 CB ALA A 13 -10.257 2.622 4.279 1.00 0.00 C ATOM 0 H ALA A 13 -11.237 0.767 2.962 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.831 1.071 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.831 3.242 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.843 2.923 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.340 2.748 4.264 1.00 0.00 H new ATOM 182 N VAL A 14 -9.613 -0.134 6.559 1.00 0.00 N ATOM 183 CA VAL A 14 -9.974 -0.669 7.861 1.00 0.00 C ATOM 184 C VAL A 14 -8.885 -0.306 8.874 1.00 0.00 C ATOM 185 O VAL A 14 -7.704 -0.543 8.631 1.00 0.00 O ATOM 186 CB VAL A 14 -10.219 -2.175 7.759 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.786 -2.546 6.386 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.939 -2.961 8.053 1.00 0.00 C ATOM 0 H VAL A 14 -8.700 -0.430 6.214 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.906 -0.226 8.212 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.959 -2.445 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.951 -3.622 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.732 -2.027 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.079 -2.253 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.142 -4.029 7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.168 -2.683 7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.594 -2.731 9.061 1.00 0.00 H new ATOM 198 N THR A 15 -9.324 0.258 9.989 1.00 0.00 N ATOM 199 CA THR A 15 -8.404 0.655 11.040 1.00 0.00 C ATOM 200 C THR A 15 -7.433 -0.484 11.355 1.00 0.00 C ATOM 201 O THR A 15 -7.813 -1.654 11.333 1.00 0.00 O ATOM 202 CB THR A 15 -9.229 1.101 12.248 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.279 1.880 11.683 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.473 2.088 13.141 1.00 0.00 C ATOM 0 H THR A 15 -10.306 0.450 10.187 1.00 0.00 H new ATOM 0 HA THR A 15 -7.783 1.494 10.726 1.00 0.00 H new ATOM 0 HB THR A 15 -9.516 0.228 12.833 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.864 2.208 12.398 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.103 2.373 13.984 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.562 1.619 13.512 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.215 2.976 12.564 1.00 0.00 H new ATOM 212 N CYS A 16 -6.196 -0.103 11.643 1.00 0.00 N ATOM 213 CA CYS A 16 -5.167 -1.078 11.961 1.00 0.00 C ATOM 214 C CYS A 16 -5.003 -1.123 13.482 1.00 0.00 C ATOM 215 O CYS A 16 -5.660 -0.376 14.203 1.00 0.00 O ATOM 216 CB CYS A 16 -3.848 -0.762 11.254 1.00 0.00 C ATOM 217 SG CYS A 16 -3.403 -2.127 10.120 1.00 0.00 S ATOM 0 H CYS A 16 -5.884 0.868 11.663 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.470 -2.061 11.599 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.939 0.170 10.696 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.057 -0.617 11.990 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.330 -1.674 8.904 1.00 0.00 H new ATOM 223 N PRO A 17 -4.098 -2.032 13.936 1.00 0.00 N ATOM 224 CA PRO A 17 -3.839 -2.184 15.357 1.00 0.00 C ATOM 225 C PRO A 17 -2.993 -1.025 15.888 1.00 0.00 C ATOM 226 O PRO A 17 -2.705 -0.077 15.158 1.00 0.00 O ATOM 227 CB PRO A 17 -3.148 -3.532 15.489 1.00 0.00 C ATOM 228 CG PRO A 17 -2.630 -3.873 14.101 1.00 0.00 C ATOM 229 CD PRO A 17 -3.301 -2.935 13.110 1.00 0.00 C ATOM 0 HA PRO A 17 -4.750 -2.157 15.955 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.331 -3.483 16.209 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.842 -4.293 15.845 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.547 -3.761 14.060 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.853 -4.911 13.855 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.564 -2.387 12.522 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.927 -3.484 12.406 1.00 0.00 H new ATOM 237 N PRO A 18 -2.608 -1.141 17.187 1.00 0.00 N ATOM 238 CA PRO A 18 -1.801 -0.114 17.824 1.00 0.00 C ATOM 239 C PRO A 18 -0.348 -0.188 17.350 1.00 0.00 C ATOM 240 O PRO A 18 0.336 -1.182 17.586 1.00 0.00 O ATOM 241 CB PRO A 18 -1.953 -0.362 19.315 1.00 0.00 C ATOM 242 CG PRO A 18 -2.459 -1.789 19.450 1.00 0.00 C ATOM 243 CD PRO A 18 -2.931 -2.249 18.081 1.00 0.00 C ATOM 0 HA PRO A 18 -2.124 0.895 17.568 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.002 -0.234 19.831 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.654 0.345 19.759 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.668 -2.441 19.820 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.275 -1.838 20.171 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.426 -3.165 17.775 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.000 -2.459 18.081 1.00 0.00 H new ATOM 251 N GLY A 19 0.081 0.879 16.692 1.00 0.00 N ATOM 252 CA GLY A 19 1.440 0.948 16.184 1.00 0.00 C ATOM 253 C GLY A 19 1.518 1.839 14.943 1.00 0.00 C ATOM 254 O GLY A 19 2.283 2.803 14.913 1.00 0.00 O ATOM 0 H GLY A 19 -0.489 1.703 16.499 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.102 1.338 16.958 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.792 -0.054 15.939 1.00 0.00 H new ATOM 258 N GLU A 20 0.716 1.487 13.949 1.00 0.00 N ATOM 259 CA GLU A 20 0.684 2.243 12.709 1.00 0.00 C ATOM 260 C GLU A 20 0.129 3.648 12.957 1.00 0.00 C ATOM 261 O GLU A 20 -1.074 3.819 13.139 1.00 0.00 O ATOM 262 CB GLU A 20 -0.132 1.512 11.641 1.00 0.00 C ATOM 263 CG GLU A 20 0.449 0.124 11.361 1.00 0.00 C ATOM 264 CD GLU A 20 -0.243 -0.943 12.213 1.00 0.00 C ATOM 265 OE1 GLU A 20 -0.537 -2.039 11.712 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.476 -0.600 13.433 1.00 0.00 O ATOM 0 H GLU A 20 0.083 0.688 13.977 1.00 0.00 H new ATOM 0 HA GLU A 20 1.705 2.337 12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.167 1.417 11.970 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.142 2.098 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.332 -0.117 10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.519 0.125 11.571 1.00 0.00 H new ATOM 274 N ASN A 21 1.035 4.614 12.957 1.00 0.00 N ATOM 275 CA ASN A 21 0.652 5.998 13.180 1.00 0.00 C ATOM 276 C ASN A 21 0.213 6.622 11.853 1.00 0.00 C ATOM 277 O ASN A 21 -0.054 7.822 11.786 1.00 0.00 O ATOM 278 CB ASN A 21 1.828 6.814 13.720 1.00 0.00 C ATOM 279 CG ASN A 21 2.554 6.059 14.836 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.702 6.321 15.151 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.821 5.109 15.410 1.00 0.00 N ATOM 0 H ASN A 21 2.033 4.466 12.806 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.160 6.010 13.907 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.525 7.033 12.911 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.468 7.771 14.098 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.215 4.547 16.164 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.865 4.943 15.096 1.00 0.00 H new ATOM 288 N LEU A 22 0.154 5.781 10.831 1.00 0.00 N ATOM 289 CA LEU A 22 -0.248 6.234 9.511 1.00 0.00 C ATOM 290 C LEU A 22 -0.383 5.028 8.580 1.00 0.00 C ATOM 291 O LEU A 22 -0.328 3.884 9.031 1.00 0.00 O ATOM 292 CB LEU A 22 0.720 7.302 8.995 1.00 0.00 C ATOM 293 CG LEU A 22 2.129 6.819 8.647 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.421 7.007 7.157 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.177 7.504 9.528 1.00 0.00 C ATOM 0 H LEU A 22 0.378 4.788 10.891 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.226 6.714 9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.285 7.760 8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.802 8.085 9.749 1.00 0.00 H new ATOM 0 HG LEU A 22 2.184 5.750 8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.429 6.656 6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.701 6.436 6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.341 8.063 6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.170 7.143 9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.130 8.583 9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.978 7.275 10.575 1.00 0.00 H new ATOM 307 N CYS A 23 -0.559 5.323 7.302 1.00 0.00 N ATOM 308 CA CYS A 23 -0.703 4.276 6.304 1.00 0.00 C ATOM 309 C CYS A 23 0.612 4.165 5.530 1.00 0.00 C ATOM 310 O CYS A 23 1.610 4.779 5.904 1.00 0.00 O ATOM 311 CB CYS A 23 -1.892 4.539 5.377 1.00 0.00 C ATOM 312 SG CYS A 23 -3.228 5.385 6.296 1.00 0.00 S ATOM 0 H CYS A 23 -0.605 6.273 6.933 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.913 3.327 6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.576 5.151 4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.260 3.598 4.968 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.958 4.502 6.911 1.00 0.00 H new ATOM 318 N TYR A 24 0.569 3.377 4.465 1.00 0.00 N ATOM 319 CA TYR A 24 1.746 3.178 3.635 1.00 0.00 C ATOM 320 C TYR A 24 1.376 2.496 2.315 1.00 0.00 C ATOM 321 O TYR A 24 0.264 1.995 2.162 1.00 0.00 O ATOM 322 CB TYR A 24 2.671 2.254 4.430 1.00 0.00 C ATOM 323 CG TYR A 24 2.265 0.779 4.387 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.751 -0.040 3.388 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.414 0.270 5.346 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.369 -1.428 3.347 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.032 -1.119 5.304 1.00 0.00 C ATOM 328 CZ TYR A 24 1.528 -1.898 4.307 1.00 0.00 C ATOM 329 OH TYR A 24 1.168 -3.209 4.269 1.00 0.00 O ATOM 0 H TYR A 24 -0.261 2.870 4.158 1.00 0.00 H new ATOM 0 HA TYR A 24 2.214 4.133 3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.685 2.352 4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.692 2.584 5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.417 0.360 2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.034 0.912 6.127 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.742 -2.081 2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.367 -1.531 6.048 1.00 0.00 H new ATOM 0 HH TYR A 24 0.565 -3.404 5.016 1.00 0.00 H new ATOM 339 N ARG A 25 2.331 2.503 1.396 1.00 0.00 N ATOM 340 CA ARG A 25 2.119 1.893 0.095 1.00 0.00 C ATOM 341 C ARG A 25 3.350 1.083 -0.319 1.00 0.00 C ATOM 342 O ARG A 25 4.331 1.643 -0.806 1.00 0.00 O ATOM 343 CB ARG A 25 1.834 2.952 -0.971 1.00 0.00 C ATOM 344 CG ARG A 25 1.047 4.125 -0.381 1.00 0.00 C ATOM 345 CD ARG A 25 1.191 5.375 -1.252 1.00 0.00 C ATOM 346 NE ARG A 25 -0.143 5.834 -1.701 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.360 6.535 -2.834 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.668 6.865 -3.643 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.593 6.894 -3.138 1.00 0.00 N ATOM 0 H ARG A 25 3.252 2.921 1.527 1.00 0.00 H new ATOM 0 HA ARG A 25 1.255 1.233 0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.773 3.313 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.270 2.506 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.006 3.855 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.404 4.337 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.687 6.166 -0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.819 5.157 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.948 5.606 -1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.618 6.585 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.495 7.395 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.365 6.641 -2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.774 7.424 -3.990 1.00 0.00 H new ATOM 363 N LYS A 26 3.259 -0.222 -0.108 1.00 0.00 N ATOM 364 CA LYS A 26 4.353 -1.114 -0.451 1.00 0.00 C ATOM 365 C LYS A 26 4.286 -1.446 -1.943 1.00 0.00 C ATOM 366 O LYS A 26 3.220 -1.363 -2.552 1.00 0.00 O ATOM 367 CB LYS A 26 4.345 -2.347 0.455 1.00 0.00 C ATOM 368 CG LYS A 26 5.613 -2.411 1.307 1.00 0.00 C ATOM 369 CD LYS A 26 5.525 -3.536 2.339 1.00 0.00 C ATOM 370 CE LYS A 26 5.236 -2.980 3.735 1.00 0.00 C ATOM 371 NZ LYS A 26 6.132 -3.600 4.736 1.00 0.00 N ATOM 0 H LYS A 26 2.444 -0.683 0.296 1.00 0.00 H new ATOM 0 HA LYS A 26 5.311 -0.626 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.469 -2.321 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.265 -3.248 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.479 -2.569 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.763 -1.458 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.740 -4.236 2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.461 -4.095 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.372 -1.898 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.196 -3.171 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.922 -3.211 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.983 -4.629 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.122 -3.396 4.490 1.00 0.00 H new ATOM 385 N MET A 27 5.434 -1.817 -2.487 1.00 0.00 N ATOM 386 CA MET A 27 5.519 -2.162 -3.896 1.00 0.00 C ATOM 387 C MET A 27 6.613 -3.204 -4.141 1.00 0.00 C ATOM 388 O MET A 27 7.594 -3.264 -3.400 1.00 0.00 O ATOM 389 CB MET A 27 5.819 -0.903 -4.713 1.00 0.00 C ATOM 390 CG MET A 27 4.590 -0.460 -5.508 1.00 0.00 C ATOM 391 SD MET A 27 4.677 1.292 -5.839 1.00 0.00 S ATOM 392 CE MET A 27 2.997 1.592 -6.364 1.00 0.00 C ATOM 0 H MET A 27 6.315 -1.887 -1.977 1.00 0.00 H new ATOM 0 HA MET A 27 4.564 -2.587 -4.205 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.135 -0.100 -4.047 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.647 -1.096 -5.395 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.534 -1.013 -6.445 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.683 -0.688 -4.948 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.676 2.573 -6.013 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.945 1.561 -7.452 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.343 0.826 -5.948 1.00 0.00 H new ATOM 402 N TRP A 28 6.408 -3.997 -5.182 1.00 0.00 N ATOM 403 CA TRP A 28 7.365 -5.033 -5.533 1.00 0.00 C ATOM 404 C TRP A 28 6.998 -5.566 -6.919 1.00 0.00 C ATOM 405 O TRP A 28 7.306 -4.937 -7.931 1.00 0.00 O ATOM 406 CB TRP A 28 7.405 -6.127 -4.464 1.00 0.00 C ATOM 407 CG TRP A 28 6.071 -6.345 -3.746 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.918 -6.783 -4.266 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.801 -6.118 -2.348 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.926 -6.854 -3.310 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.481 -6.437 -2.105 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.644 -5.658 -1.320 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.886 -6.330 -0.842 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.034 -5.557 -0.064 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.706 -5.874 0.196 1.00 0.00 C ATOM 0 H TRP A 28 5.594 -3.943 -5.794 1.00 0.00 H new ATOM 0 HA TRP A 28 8.376 -4.627 -5.572 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.713 -7.064 -4.929 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.166 -5.872 -3.726 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.781 -7.048 -5.304 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.963 -7.156 -3.459 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.680 -5.403 -1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.850 -6.586 -0.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.638 -5.208 0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.309 -5.769 1.195 1.00 0.00 H new ATOM 426 N CYS A 29 6.342 -6.716 -6.922 1.00 0.00 N ATOM 427 CA CYS A 29 5.929 -7.340 -8.167 1.00 0.00 C ATOM 428 C CYS A 29 5.120 -8.594 -7.831 1.00 0.00 C ATOM 429 O CYS A 29 5.633 -9.518 -7.202 1.00 0.00 O ATOM 430 CB CYS A 29 7.127 -7.658 -9.066 1.00 0.00 C ATOM 431 SG CYS A 29 7.073 -6.620 -10.571 1.00 0.00 S ATOM 0 H CYS A 29 6.086 -7.233 -6.081 1.00 0.00 H new ATOM 0 HA CYS A 29 5.306 -6.648 -8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.056 -7.480 -8.524 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.116 -8.713 -9.341 1.00 0.00 H new ATOM 0 HG CYS A 29 7.520 -7.301 -11.584 1.00 0.00 H new ATOM 437 N ASP A 30 3.868 -8.586 -8.266 1.00 0.00 N ATOM 438 CA ASP A 30 2.982 -9.711 -8.019 1.00 0.00 C ATOM 439 C ASP A 30 3.698 -11.010 -8.396 1.00 0.00 C ATOM 440 O ASP A 30 4.831 -10.983 -8.873 1.00 0.00 O ATOM 441 CB ASP A 30 1.712 -9.610 -8.865 1.00 0.00 C ATOM 442 CG ASP A 30 0.605 -10.596 -8.492 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.533 -11.073 -7.348 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.219 -10.877 -9.444 1.00 0.00 O ATOM 0 H ASP A 30 3.446 -7.818 -8.788 1.00 0.00 H new ATOM 0 HA ASP A 30 2.713 -9.702 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.318 -8.597 -8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.977 -9.764 -9.911 1.00 0.00 H new ATOM 450 N ALA A 31 3.007 -12.117 -8.165 1.00 0.00 N ATOM 451 CA ALA A 31 3.562 -13.425 -8.474 1.00 0.00 C ATOM 452 C ALA A 31 3.593 -13.616 -9.991 1.00 0.00 C ATOM 453 O ALA A 31 4.034 -14.653 -10.481 1.00 0.00 O ATOM 454 CB ALA A 31 2.747 -14.506 -7.765 1.00 0.00 C ATOM 0 H ALA A 31 2.068 -12.135 -7.768 1.00 0.00 H new ATOM 0 HA ALA A 31 4.587 -13.502 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.163 -15.486 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.784 -14.342 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.712 -14.462 -8.104 1.00 0.00 H new ATOM 460 N PHE A 32 3.114 -12.599 -10.693 1.00 0.00 N ATOM 461 CA PHE A 32 3.079 -12.643 -12.145 1.00 0.00 C ATOM 462 C PHE A 32 3.892 -11.496 -12.748 1.00 0.00 C ATOM 463 O PHE A 32 4.131 -11.466 -13.955 1.00 0.00 O ATOM 464 CB PHE A 32 1.615 -12.488 -12.562 1.00 0.00 C ATOM 465 CG PHE A 32 0.733 -13.684 -12.194 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.558 -14.022 -10.888 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.126 -14.407 -13.172 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.260 -15.130 -10.545 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.692 -15.516 -12.829 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.868 -15.854 -11.524 1.00 0.00 C ATOM 0 H PHE A 32 2.747 -11.740 -10.283 1.00 0.00 H new ATOM 0 HA PHE A 32 3.506 -13.581 -12.499 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.208 -11.592 -12.094 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.569 -12.334 -13.640 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.042 -13.447 -10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.266 -14.138 -14.209 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.400 -15.398 -9.508 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.175 -16.091 -13.605 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.491 -16.697 -11.264 1.00 0.00 H new ATOM 480 N CYS A 33 4.297 -10.579 -11.880 1.00 0.00 N ATOM 481 CA CYS A 33 5.077 -9.433 -12.313 1.00 0.00 C ATOM 482 C CYS A 33 4.593 -9.017 -13.703 1.00 0.00 C ATOM 483 O CYS A 33 5.358 -9.043 -14.665 1.00 0.00 O ATOM 484 CB CYS A 33 6.578 -9.732 -12.298 1.00 0.00 C ATOM 485 SG CYS A 33 7.473 -8.496 -13.306 1.00 0.00 S ATOM 0 H CYS A 33 4.099 -10.607 -10.880 1.00 0.00 H new ATOM 0 HA CYS A 33 4.930 -8.607 -11.617 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.950 -9.716 -11.274 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.762 -10.733 -12.688 1.00 0.00 H new ATOM 0 HG CYS A 33 7.061 -8.560 -14.537 1.00 0.00 H new ATOM 491 N SER A 34 3.322 -8.643 -13.764 1.00 0.00 N ATOM 492 CA SER A 34 2.726 -8.223 -15.021 1.00 0.00 C ATOM 493 C SER A 34 3.454 -6.990 -15.559 1.00 0.00 C ATOM 494 O SER A 34 4.347 -6.456 -14.903 1.00 0.00 O ATOM 495 CB SER A 34 1.234 -7.927 -14.851 1.00 0.00 C ATOM 496 OG SER A 34 0.507 -9.075 -14.424 1.00 0.00 O ATOM 0 H SER A 34 2.690 -8.622 -12.964 1.00 0.00 H new ATOM 0 HA SER A 34 2.828 -9.038 -15.737 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.104 -7.125 -14.124 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.825 -7.570 -15.796 1.00 0.00 H new ATOM 0 HG SER A 34 -0.440 -8.844 -14.326 1.00 0.00 H new ATOM 502 N SER A 35 3.047 -6.574 -16.750 1.00 0.00 N ATOM 503 CA SER A 35 3.650 -5.415 -17.384 1.00 0.00 C ATOM 504 C SER A 35 3.203 -4.138 -16.672 1.00 0.00 C ATOM 505 O SER A 35 3.638 -3.041 -17.023 1.00 0.00 O ATOM 506 CB SER A 35 3.288 -5.349 -18.869 1.00 0.00 C ATOM 507 OG SER A 35 3.655 -6.539 -19.562 1.00 0.00 O ATOM 0 H SER A 35 2.307 -7.020 -17.292 1.00 0.00 H new ATOM 0 HA SER A 35 4.733 -5.507 -17.306 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.216 -5.185 -18.974 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.787 -4.495 -19.326 1.00 0.00 H new ATOM 0 HG SER A 35 3.406 -6.458 -20.506 1.00 0.00 H new ATOM 513 N ARG A 36 2.340 -4.320 -15.683 1.00 0.00 N ATOM 514 CA ARG A 36 1.828 -3.194 -14.918 1.00 0.00 C ATOM 515 C ARG A 36 2.876 -2.720 -13.910 1.00 0.00 C ATOM 516 O ARG A 36 2.603 -1.839 -13.095 1.00 0.00 O ATOM 517 CB ARG A 36 0.548 -3.573 -14.173 1.00 0.00 C ATOM 518 CG ARG A 36 -0.379 -4.407 -15.060 1.00 0.00 C ATOM 519 CD ARG A 36 -0.935 -3.570 -16.213 1.00 0.00 C ATOM 520 NE ARG A 36 0.154 -3.210 -17.149 1.00 0.00 N ATOM 521 CZ ARG A 36 0.141 -2.120 -17.944 1.00 0.00 C ATOM 522 NH1 ARG A 36 -0.909 -1.270 -17.923 1.00 0.00 N ATOM 523 NH2 ARG A 36 1.167 -1.896 -18.743 1.00 0.00 N ATOM 0 H ARG A 36 1.982 -5.230 -15.393 1.00 0.00 H new ATOM 0 HA ARG A 36 1.602 -2.390 -15.618 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.800 -4.136 -13.274 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.031 -2.670 -13.849 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.166 -5.263 -15.457 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.201 -4.802 -14.463 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.708 -4.130 -16.740 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.405 -2.667 -15.824 1.00 0.00 H new ATOM 0 HE ARG A 36 0.966 -3.825 -17.196 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.699 -1.450 -17.303 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.912 -0.448 -18.527 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.956 -2.543 -18.754 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.171 -1.076 -19.350 1.00 0.00 H new ATOM 537 N GLY A 37 4.053 -3.322 -13.998 1.00 0.00 N ATOM 538 CA GLY A 37 5.143 -2.970 -13.104 1.00 0.00 C ATOM 539 C GLY A 37 5.072 -3.784 -11.809 1.00 0.00 C ATOM 540 O GLY A 37 5.047 -5.013 -11.844 1.00 0.00 O ATOM 0 H GLY A 37 4.276 -4.052 -14.675 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.097 -3.150 -13.599 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.099 -1.906 -12.872 1.00 0.00 H new ATOM 544 N LYS A 38 5.042 -3.065 -10.697 1.00 0.00 N ATOM 545 CA LYS A 38 4.975 -3.703 -9.395 1.00 0.00 C ATOM 546 C LYS A 38 3.524 -3.717 -8.911 1.00 0.00 C ATOM 547 O LYS A 38 2.608 -3.421 -9.677 1.00 0.00 O ATOM 548 CB LYS A 38 5.943 -3.030 -8.417 1.00 0.00 C ATOM 549 CG LYS A 38 7.146 -2.440 -9.156 1.00 0.00 C ATOM 550 CD LYS A 38 7.670 -3.413 -10.214 1.00 0.00 C ATOM 551 CE LYS A 38 9.199 -3.413 -10.250 1.00 0.00 C ATOM 552 NZ LYS A 38 9.748 -3.900 -8.965 1.00 0.00 N ATOM 0 H LYS A 38 5.063 -2.046 -10.672 1.00 0.00 H new ATOM 0 HA LYS A 38 5.298 -4.742 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.425 -2.242 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.285 -3.757 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.861 -1.501 -9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.938 -2.210 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.308 -4.418 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.280 -3.136 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.549 -4.046 -11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.564 -2.405 -10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.135 -3.099 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.992 -4.354 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.503 -4.591 -9.150 1.00 0.00 H new ATOM 566 N VAL A 39 3.360 -4.066 -7.643 1.00 0.00 N ATOM 567 CA VAL A 39 2.034 -4.123 -7.049 1.00 0.00 C ATOM 568 C VAL A 39 1.823 -2.893 -6.164 1.00 0.00 C ATOM 569 O VAL A 39 2.555 -1.909 -6.276 1.00 0.00 O ATOM 570 CB VAL A 39 1.857 -5.442 -6.294 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.378 -5.819 -6.189 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.664 -6.563 -6.950 1.00 0.00 C ATOM 0 H VAL A 39 4.122 -4.312 -7.011 1.00 0.00 H new ATOM 0 HA VAL A 39 1.266 -4.101 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 39 2.240 -5.303 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.280 -6.760 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.160 -5.036 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.041 -5.930 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.520 -7.489 -6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.327 -6.701 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.722 -6.299 -6.948 1.00 0.00 H new ATOM 582 N VAL A 40 0.819 -2.987 -5.305 1.00 0.00 N ATOM 583 CA VAL A 40 0.502 -1.894 -4.402 1.00 0.00 C ATOM 584 C VAL A 40 -0.172 -2.454 -3.147 1.00 0.00 C ATOM 585 O VAL A 40 -1.388 -2.350 -2.991 1.00 0.00 O ATOM 586 CB VAL A 40 -0.352 -0.850 -5.123 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.205 0.526 -4.470 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.003 -0.790 -6.612 1.00 0.00 C ATOM 0 H VAL A 40 0.214 -3.803 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 40 1.412 -1.386 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.395 -1.153 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.823 1.249 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.526 0.471 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.838 0.839 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.624 -0.040 -7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.047 -0.523 -6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.183 -1.764 -7.067 1.00 0.00 H new ATOM 598 N GLU A 41 0.648 -3.036 -2.284 1.00 0.00 N ATOM 599 CA GLU A 41 0.146 -3.614 -1.049 1.00 0.00 C ATOM 600 C GLU A 41 0.183 -2.575 0.075 1.00 0.00 C ATOM 601 O GLU A 41 0.971 -2.694 1.011 1.00 0.00 O ATOM 602 CB GLU A 41 0.941 -4.862 -0.665 1.00 0.00 C ATOM 603 CG GLU A 41 1.192 -5.749 -1.886 1.00 0.00 C ATOM 604 CD GLU A 41 0.866 -7.212 -1.578 1.00 0.00 C ATOM 605 OE1 GLU A 41 1.017 -7.653 -0.429 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.440 -7.899 -2.585 1.00 0.00 O ATOM 0 H GLU A 41 1.656 -3.120 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.889 -3.917 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.893 -4.569 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.397 -5.426 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.582 -5.405 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.234 -5.662 -2.195 1.00 0.00 H new ATOM 614 N LEU A 42 -0.683 -1.580 -0.055 1.00 0.00 N ATOM 615 CA LEU A 42 -0.761 -0.522 0.937 1.00 0.00 C ATOM 616 C LEU A 42 -1.279 -1.101 2.255 1.00 0.00 C ATOM 617 O LEU A 42 -1.523 -2.302 2.356 1.00 0.00 O ATOM 618 CB LEU A 42 -1.594 0.648 0.409 1.00 0.00 C ATOM 619 CG LEU A 42 -1.544 0.880 -1.102 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.781 0.294 -1.787 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.357 2.364 -1.423 1.00 0.00 C ATOM 0 H LEU A 42 -1.336 -1.485 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 42 0.230 -0.113 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.633 0.488 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.262 1.559 0.907 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.677 0.354 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.721 0.472 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.827 -0.779 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.677 0.771 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.325 2.501 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.189 2.933 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.423 2.716 -0.985 1.00 0.00 H new ATOM 633 N GLY A 43 -1.430 -0.219 3.233 1.00 0.00 N ATOM 634 CA GLY A 43 -1.914 -0.627 4.540 1.00 0.00 C ATOM 635 C GLY A 43 -1.528 0.394 5.611 1.00 0.00 C ATOM 636 O GLY A 43 -1.467 1.591 5.340 1.00 0.00 O ATOM 0 H GLY A 43 -1.225 0.776 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.998 -0.738 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.501 -1.602 4.797 1.00 0.00 H new ATOM 640 N CYS A 44 -1.277 -0.117 6.808 1.00 0.00 N ATOM 641 CA CYS A 44 -0.899 0.735 7.922 1.00 0.00 C ATOM 642 C CYS A 44 0.556 0.432 8.287 1.00 0.00 C ATOM 643 O CYS A 44 1.053 -0.661 8.018 1.00 0.00 O ATOM 644 CB CYS A 44 -1.836 0.554 9.118 1.00 0.00 C ATOM 645 SG CYS A 44 -3.572 0.463 8.542 1.00 0.00 S ATOM 0 H CYS A 44 -1.328 -1.111 7.030 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.989 1.781 7.629 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.576 -0.355 9.661 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.717 1.385 9.813 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.981 1.651 8.207 1.00 0.00 H new ATOM 651 N ALA A 45 1.198 1.418 8.896 1.00 0.00 N ATOM 652 CA ALA A 45 2.585 1.270 9.300 1.00 0.00 C ATOM 653 C ALA A 45 2.969 2.427 10.226 1.00 0.00 C ATOM 654 O ALA A 45 2.494 3.548 10.053 1.00 0.00 O ATOM 655 CB ALA A 45 3.476 1.197 8.058 1.00 0.00 C ATOM 0 H ALA A 45 0.783 2.323 9.119 1.00 0.00 H new ATOM 0 HA ALA A 45 2.725 0.343 9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.517 1.086 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.183 0.341 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.364 2.112 7.476 1.00 0.00 H new ATOM 661 N ALA A 46 3.825 2.114 11.189 1.00 0.00 N ATOM 662 CA ALA A 46 4.276 3.114 12.141 1.00 0.00 C ATOM 663 C ALA A 46 4.837 4.318 11.383 1.00 0.00 C ATOM 664 O ALA A 46 4.512 5.462 11.700 1.00 0.00 O ATOM 665 CB ALA A 46 5.306 2.489 13.086 1.00 0.00 C ATOM 0 H ALA A 46 4.217 1.183 11.330 1.00 0.00 H new ATOM 0 HA ALA A 46 3.444 3.467 12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.645 3.238 13.801 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.850 1.656 13.622 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.157 2.127 12.509 1.00 0.00 H new ATOM 671 N THR A 47 5.670 4.022 10.396 1.00 0.00 N ATOM 672 CA THR A 47 6.280 5.066 9.591 1.00 0.00 C ATOM 673 C THR A 47 6.783 4.491 8.265 1.00 0.00 C ATOM 674 O THR A 47 6.951 3.281 8.133 1.00 0.00 O ATOM 675 CB THR A 47 7.379 5.725 10.425 1.00 0.00 C ATOM 676 OG1 THR A 47 8.153 4.630 10.908 1.00 0.00 O ATOM 677 CG2 THR A 47 6.835 6.385 11.694 1.00 0.00 C ATOM 0 H THR A 47 5.937 3.073 10.136 1.00 0.00 H new ATOM 0 HA THR A 47 5.554 5.833 9.321 1.00 0.00 H new ATOM 0 HB THR A 47 7.895 6.471 9.820 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.890 4.968 11.458 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.656 6.838 12.249 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.113 7.155 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.348 5.633 12.315 1.00 0.00 H new ATOM 685 N CYS A 48 7.011 5.388 7.316 1.00 0.00 N ATOM 686 CA CYS A 48 7.493 4.986 6.007 1.00 0.00 C ATOM 687 C CYS A 48 8.427 3.789 6.186 1.00 0.00 C ATOM 688 O CYS A 48 9.605 3.957 6.499 1.00 0.00 O ATOM 689 CB CYS A 48 8.179 6.142 5.276 1.00 0.00 C ATOM 690 SG CYS A 48 7.757 7.730 6.083 1.00 0.00 S ATOM 0 H CYS A 48 6.870 6.392 7.429 1.00 0.00 H new ATOM 0 HA CYS A 48 6.650 4.697 5.380 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.259 5.997 5.282 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.866 6.160 4.232 1.00 0.00 H new ATOM 0 HG CYS A 48 6.490 7.746 6.373 1.00 0.00 H new ATOM 696 N PRO A 49 7.853 2.575 5.972 1.00 0.00 N ATOM 697 CA PRO A 49 8.623 1.348 6.106 1.00 0.00 C ATOM 698 C PRO A 49 9.558 1.155 4.911 1.00 0.00 C ATOM 699 O PRO A 49 10.348 0.213 4.884 1.00 0.00 O ATOM 700 CB PRO A 49 7.585 0.245 6.234 1.00 0.00 C ATOM 701 CG PRO A 49 6.287 0.830 5.702 1.00 0.00 C ATOM 702 CD PRO A 49 6.462 2.336 5.599 1.00 0.00 C ATOM 0 HA PRO A 49 9.283 1.357 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.879 -0.636 5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.475 -0.069 7.272 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.049 0.406 4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.458 0.587 6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.257 2.690 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.778 2.861 6.266 1.00 0.00 H new ATOM 710 N SER A 50 9.436 2.062 3.953 1.00 0.00 N ATOM 711 CA SER A 50 10.261 2.002 2.757 1.00 0.00 C ATOM 712 C SER A 50 11.564 1.258 3.057 1.00 0.00 C ATOM 713 O SER A 50 12.157 1.439 4.119 1.00 0.00 O ATOM 714 CB SER A 50 10.563 3.405 2.225 1.00 0.00 C ATOM 715 OG SER A 50 10.145 3.564 0.872 1.00 0.00 O ATOM 0 H SER A 50 8.779 2.842 3.980 1.00 0.00 H new ATOM 0 HA SER A 50 9.709 1.461 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.062 4.145 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.633 3.598 2.299 1.00 0.00 H new ATOM 0 HG SER A 50 9.240 3.204 0.765 1.00 0.00 H new ATOM 721 N LYS A 51 11.971 0.435 2.102 1.00 0.00 N ATOM 722 CA LYS A 51 13.194 -0.337 2.249 1.00 0.00 C ATOM 723 C LYS A 51 14.355 0.424 1.610 1.00 0.00 C ATOM 724 O LYS A 51 14.732 1.497 2.081 1.00 0.00 O ATOM 725 CB LYS A 51 13.004 -1.750 1.691 1.00 0.00 C ATOM 726 CG LYS A 51 12.430 -2.687 2.757 1.00 0.00 C ATOM 727 CD LYS A 51 13.547 -3.313 3.595 1.00 0.00 C ATOM 728 CE LYS A 51 14.180 -2.277 4.525 1.00 0.00 C ATOM 729 NZ LYS A 51 13.155 -1.667 5.398 1.00 0.00 N ATOM 0 H LYS A 51 11.476 0.286 1.223 1.00 0.00 H new ATOM 0 HA LYS A 51 13.439 -0.464 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.335 -1.719 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.960 -2.137 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.751 -2.133 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.845 -3.473 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.146 -4.138 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.309 -3.731 2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.950 -2.750 5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.671 -1.503 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.619 -1.082 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.522 -1.072 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.602 -2.417 5.861 1.00 0.00 H new ATOM 743 N LYS A 52 14.891 -0.157 0.548 1.00 0.00 N ATOM 744 CA LYS A 52 16.002 0.453 -0.160 1.00 0.00 C ATOM 745 C LYS A 52 16.038 -0.073 -1.597 1.00 0.00 C ATOM 746 O LYS A 52 16.069 0.708 -2.547 1.00 0.00 O ATOM 747 CB LYS A 52 17.309 0.238 0.606 1.00 0.00 C ATOM 748 CG LYS A 52 17.197 0.757 2.041 1.00 0.00 C ATOM 749 CD LYS A 52 16.859 -0.378 3.010 1.00 0.00 C ATOM 750 CE LYS A 52 16.722 0.147 4.441 1.00 0.00 C ATOM 751 NZ LYS A 52 17.125 -0.893 5.415 1.00 0.00 N ATOM 0 H LYS A 52 14.576 -1.046 0.160 1.00 0.00 H new ATOM 0 HA LYS A 52 15.868 1.533 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.557 -0.823 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.123 0.750 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.136 1.225 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.427 1.527 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.929 -0.858 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.638 -1.139 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.342 1.034 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.691 0.448 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.603 -0.757 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.910 -1.834 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.146 -0.820 5.599 1.00 0.00 H new ATOM 765 N PRO A 53 16.032 -1.428 -1.713 1.00 0.00 N ATOM 766 CA PRO A 53 16.063 -2.067 -3.017 1.00 0.00 C ATOM 767 C PRO A 53 14.701 -1.966 -3.710 1.00 0.00 C ATOM 768 O PRO A 53 14.313 -0.894 -4.171 1.00 0.00 O ATOM 769 CB PRO A 53 16.485 -3.501 -2.742 1.00 0.00 C ATOM 770 CG PRO A 53 16.224 -3.736 -1.264 1.00 0.00 C ATOM 771 CD PRO A 53 15.995 -2.383 -0.610 1.00 0.00 C ATOM 0 HA PRO A 53 16.758 -1.586 -3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.916 -4.200 -3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.538 -3.651 -2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.354 -4.378 -1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.071 -4.244 -0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.037 -2.351 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.766 -2.165 0.129 1.00 0.00 H new ATOM 779 N TYR A 54 14.014 -3.099 -3.759 1.00 0.00 N ATOM 780 CA TYR A 54 12.705 -3.151 -4.387 1.00 0.00 C ATOM 781 C TYR A 54 11.615 -2.678 -3.424 1.00 0.00 C ATOM 782 O TYR A 54 10.826 -1.796 -3.759 1.00 0.00 O ATOM 783 CB TYR A 54 12.462 -4.622 -4.730 1.00 0.00 C ATOM 784 CG TYR A 54 13.002 -5.603 -3.689 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.353 -5.877 -3.635 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.139 -6.212 -2.801 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.863 -6.801 -2.654 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.648 -7.134 -1.819 1.00 0.00 C ATOM 789 CZ TYR A 54 13.985 -7.383 -1.794 1.00 0.00 C ATOM 790 OH TYR A 54 14.465 -8.254 -0.868 1.00 0.00 O ATOM 0 H TYR A 54 14.339 -3.986 -3.375 1.00 0.00 H new ATOM 0 HA TYR A 54 12.674 -2.505 -5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.390 -4.785 -4.846 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.923 -4.840 -5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.029 -5.399 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.081 -5.997 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.918 -7.026 -2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.983 -7.617 -1.118 1.00 0.00 H new ATOM 0 HH TYR A 54 13.725 -8.591 -0.321 1.00 0.00 H new ATOM 800 N GLU A 55 11.605 -3.286 -2.246 1.00 0.00 N ATOM 801 CA GLU A 55 10.624 -2.939 -1.233 1.00 0.00 C ATOM 802 C GLU A 55 10.354 -1.432 -1.250 1.00 0.00 C ATOM 803 O GLU A 55 10.790 -0.711 -0.354 1.00 0.00 O ATOM 804 CB GLU A 55 11.082 -3.397 0.153 1.00 0.00 C ATOM 805 CG GLU A 55 10.643 -4.837 0.426 1.00 0.00 C ATOM 806 CD GLU A 55 10.878 -5.213 1.891 1.00 0.00 C ATOM 807 OE1 GLU A 55 10.094 -4.820 2.767 1.00 0.00 O ATOM 808 OE2 GLU A 55 11.919 -5.945 2.105 1.00 0.00 O ATOM 0 H GLU A 55 12.261 -4.017 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 55 9.694 -3.459 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.167 -3.324 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.667 -2.736 0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.587 -4.951 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.195 -5.518 -0.221 1.00 0.00 H new ATOM 816 N GLU A 56 9.638 -1.003 -2.278 1.00 0.00 N ATOM 817 CA GLU A 56 9.306 0.405 -2.423 1.00 0.00 C ATOM 818 C GLU A 56 8.013 0.725 -1.671 1.00 0.00 C ATOM 819 O GLU A 56 6.924 0.628 -2.232 1.00 0.00 O ATOM 820 CB GLU A 56 9.191 0.791 -3.900 1.00 0.00 C ATOM 821 CG GLU A 56 10.118 1.960 -4.234 1.00 0.00 C ATOM 822 CD GLU A 56 9.452 2.925 -5.216 1.00 0.00 C ATOM 823 OE1 GLU A 56 9.896 3.041 -6.369 1.00 0.00 O ATOM 824 OE2 GLU A 56 8.439 3.569 -4.746 1.00 0.00 O ATOM 0 H GLU A 56 9.278 -1.605 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 56 10.112 0.996 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.442 -0.067 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.161 1.062 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.383 2.491 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.046 1.582 -4.663 1.00 0.00 H new ATOM 832 N VAL A 57 8.178 1.101 -0.411 1.00 0.00 N ATOM 833 CA VAL A 57 7.038 1.435 0.425 1.00 0.00 C ATOM 834 C VAL A 57 6.856 2.955 0.446 1.00 0.00 C ATOM 835 O VAL A 57 7.796 3.700 0.177 1.00 0.00 O ATOM 836 CB VAL A 57 7.218 0.836 1.821 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.876 0.729 2.549 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.911 -0.526 1.746 1.00 0.00 C ATOM 0 H VAL A 57 9.084 1.182 0.051 1.00 0.00 H new ATOM 0 HA VAL A 57 6.125 1.002 0.016 1.00 0.00 H new ATOM 0 HB VAL A 57 7.857 1.507 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.032 0.300 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.436 1.721 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.203 0.089 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.027 -0.931 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.308 -1.209 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.892 -0.410 1.286 1.00 0.00 H new ATOM 848 N THR A 58 5.638 3.368 0.768 1.00 0.00 N ATOM 849 CA THR A 58 5.320 4.785 0.827 1.00 0.00 C ATOM 850 C THR A 58 4.689 5.133 2.176 1.00 0.00 C ATOM 851 O THR A 58 5.046 4.554 3.201 1.00 0.00 O ATOM 852 CB THR A 58 4.425 5.118 -0.367 1.00 0.00 C ATOM 853 OG1 THR A 58 4.914 4.283 -1.412 1.00 0.00 O ATOM 854 CG2 THR A 58 4.649 6.539 -0.889 1.00 0.00 C ATOM 0 H THR A 58 4.860 2.746 0.991 1.00 0.00 H new ATOM 0 HA THR A 58 6.220 5.396 0.757 1.00 0.00 H new ATOM 0 HB THR A 58 3.380 4.997 -0.081 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.643 3.356 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.989 6.724 -1.736 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.432 7.256 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.686 6.651 -1.206 1.00 0.00 H new ATOM 862 N CYS A 59 3.762 6.079 2.133 1.00 0.00 N ATOM 863 CA CYS A 59 3.077 6.512 3.340 1.00 0.00 C ATOM 864 C CYS A 59 1.700 7.049 2.945 1.00 0.00 C ATOM 865 O CYS A 59 1.405 7.197 1.760 1.00 0.00 O ATOM 866 CB CYS A 59 3.895 7.549 4.113 1.00 0.00 C ATOM 867 SG CYS A 59 5.136 6.711 5.165 1.00 0.00 S ATOM 0 H CYS A 59 3.469 6.558 1.281 1.00 0.00 H new ATOM 0 HA CYS A 59 2.955 5.665 4.016 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.393 8.224 3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.235 8.158 4.730 1.00 0.00 H new ATOM 0 HG CYS A 59 6.300 7.262 4.986 1.00 0.00 H new ATOM 873 N CYS A 60 0.894 7.325 3.960 1.00 0.00 N ATOM 874 CA CYS A 60 -0.444 7.842 3.733 1.00 0.00 C ATOM 875 C CYS A 60 -1.115 8.052 5.092 1.00 0.00 C ATOM 876 O CYS A 60 -1.373 7.092 5.816 1.00 0.00 O ATOM 877 CB CYS A 60 -1.262 6.917 2.830 1.00 0.00 C ATOM 878 SG CYS A 60 -2.936 6.677 3.532 1.00 0.00 S ATOM 0 H CYS A 60 1.142 7.200 4.941 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.384 8.795 3.207 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.336 7.344 1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.759 5.955 2.730 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.852 6.558 4.824 1.00 0.00 H new ATOM 884 N SER A 61 -1.376 9.315 5.398 1.00 0.00 N ATOM 885 CA SER A 61 -2.011 9.663 6.658 1.00 0.00 C ATOM 886 C SER A 61 -3.441 10.146 6.407 1.00 0.00 C ATOM 887 O SER A 61 -4.330 9.918 7.226 1.00 0.00 O ATOM 888 CB SER A 61 -1.212 10.734 7.400 1.00 0.00 C ATOM 889 OG SER A 61 -1.467 12.040 6.891 1.00 0.00 O ATOM 0 H SER A 61 -1.159 10.109 4.796 1.00 0.00 H new ATOM 0 HA SER A 61 -2.040 8.771 7.284 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.462 10.703 8.460 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.148 10.514 7.317 1.00 0.00 H new ATOM 0 HG SER A 61 -0.939 12.696 7.393 1.00 0.00 H new ATOM 895 N THR A 62 -3.618 10.806 5.271 1.00 0.00 N ATOM 896 CA THR A 62 -4.925 11.325 4.904 1.00 0.00 C ATOM 897 C THR A 62 -5.987 10.231 5.031 1.00 0.00 C ATOM 898 O THR A 62 -5.659 9.053 5.156 1.00 0.00 O ATOM 899 CB THR A 62 -4.821 11.909 3.494 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.453 11.723 3.140 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.007 13.428 3.474 1.00 0.00 C ATOM 0 H THR A 62 -2.879 10.993 4.593 1.00 0.00 H new ATOM 0 HA THR A 62 -5.240 12.120 5.579 1.00 0.00 H new ATOM 0 HB THR A 62 -5.569 11.443 2.853 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.223 10.773 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.924 13.791 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.991 13.679 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.239 13.897 4.089 1.00 0.00 H new ATOM 909 N ASP A 63 -7.240 10.663 4.995 1.00 0.00 N ATOM 910 CA ASP A 63 -8.353 9.735 5.106 1.00 0.00 C ATOM 911 C ASP A 63 -8.459 8.916 3.819 1.00 0.00 C ATOM 912 O ASP A 63 -8.929 9.415 2.797 1.00 0.00 O ATOM 913 CB ASP A 63 -9.675 10.482 5.302 1.00 0.00 C ATOM 914 CG ASP A 63 -10.105 10.664 6.759 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.494 11.436 7.513 1.00 0.00 O ATOM 916 OD2 ASP A 63 -11.128 9.965 7.117 1.00 0.00 O ATOM 0 H ASP A 63 -7.508 11.642 4.891 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.171 9.091 5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.592 11.465 4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.461 9.944 4.771 1.00 0.00 H new ATOM 922 N LYS A 64 -8.015 7.670 3.910 1.00 0.00 N ATOM 923 CA LYS A 64 -8.053 6.777 2.765 1.00 0.00 C ATOM 924 C LYS A 64 -7.129 7.316 1.671 1.00 0.00 C ATOM 925 O LYS A 64 -7.541 7.462 0.521 1.00 0.00 O ATOM 926 CB LYS A 64 -9.496 6.563 2.300 1.00 0.00 C ATOM 927 CG LYS A 64 -10.346 5.952 3.416 1.00 0.00 C ATOM 928 CD LYS A 64 -11.825 5.926 3.027 1.00 0.00 C ATOM 929 CE LYS A 64 -12.556 4.779 3.725 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.991 5.102 3.889 1.00 0.00 N ATOM 0 H LYS A 64 -7.627 7.259 4.759 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.680 5.790 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.927 7.515 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.508 5.908 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.004 4.939 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.217 6.528 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.291 6.875 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.918 5.817 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.447 3.864 3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.105 4.593 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.472 4.312 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.089 5.964 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.421 5.257 2.955 1.00 0.00 H new ATOM 944 N CYS A 65 -5.897 7.598 2.068 1.00 0.00 N ATOM 945 CA CYS A 65 -4.910 8.118 1.137 1.00 0.00 C ATOM 946 C CYS A 65 -4.005 6.965 0.702 1.00 0.00 C ATOM 947 O CYS A 65 -2.847 7.180 0.344 1.00 0.00 O ATOM 948 CB CYS A 65 -4.112 9.273 1.745 1.00 0.00 C ATOM 949 SG CYS A 65 -3.772 8.937 3.512 1.00 0.00 S ATOM 0 H CYS A 65 -5.559 7.476 3.023 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.413 8.532 0.263 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.175 9.403 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.670 10.204 1.644 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.954 7.673 3.756 1.00 0.00 H new ATOM 955 N ASN A 66 -4.565 5.765 0.748 1.00 0.00 N ATOM 956 CA ASN A 66 -3.822 4.576 0.364 1.00 0.00 C ATOM 957 C ASN A 66 -4.365 4.050 -0.966 1.00 0.00 C ATOM 958 O ASN A 66 -3.999 2.958 -1.401 1.00 0.00 O ATOM 959 CB ASN A 66 -3.975 3.470 1.408 1.00 0.00 C ATOM 960 CG ASN A 66 -2.622 3.105 2.023 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.397 1.996 2.477 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.737 4.097 2.008 1.00 0.00 N ATOM 0 H ASN A 66 -5.525 5.590 1.045 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.770 4.848 0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.658 3.797 2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.418 2.588 0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.803 3.953 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.992 5.002 1.612 1.00 0.00 H new ATOM 969 N PRO A 67 -5.251 4.870 -1.591 1.00 0.00 N ATOM 970 CA PRO A 67 -5.847 4.498 -2.864 1.00 0.00 C ATOM 971 C PRO A 67 -4.842 4.655 -4.007 1.00 0.00 C ATOM 972 O PRO A 67 -4.994 5.530 -4.856 1.00 0.00 O ATOM 973 CB PRO A 67 -7.059 5.403 -3.009 1.00 0.00 C ATOM 974 CG PRO A 67 -6.834 6.559 -2.049 1.00 0.00 C ATOM 975 CD PRO A 67 -5.706 6.169 -1.107 1.00 0.00 C ATOM 0 HA PRO A 67 -6.143 3.450 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.159 5.760 -4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.977 4.868 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.578 7.466 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.744 6.772 -1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.901 6.903 -1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.055 6.107 -0.076 1.00 0.00 H new ATOM 983 N HIS A 68 -3.837 3.790 -3.992 1.00 0.00 N ATOM 984 CA HIS A 68 -2.807 3.821 -5.017 1.00 0.00 C ATOM 985 C HIS A 68 -3.439 4.159 -6.368 1.00 0.00 C ATOM 986 O HIS A 68 -4.639 3.965 -6.563 1.00 0.00 O ATOM 987 CB HIS A 68 -2.024 2.508 -5.039 1.00 0.00 C ATOM 988 CG HIS A 68 -2.892 1.276 -5.138 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.735 0.329 -6.134 1.00 0.00 N ATOM 990 CD2 HIS A 68 -3.923 0.847 -4.355 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.639 -0.623 -5.950 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.374 -0.299 -4.849 1.00 0.00 N ATOM 0 H HIS A 68 -3.715 3.064 -3.286 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.083 4.603 -4.788 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.334 2.523 -5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.420 2.442 -4.134 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.042 0.358 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.307 1.354 -3.482 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.770 -1.501 -6.565 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.581 4.671 -7.291 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.044 5.035 -8.620 1.00 0.00 C ATOM 1003 C PRO A 69 -3.281 3.793 -9.479 1.00 0.00 C ATOM 1004 O PRO A 69 -2.332 3.176 -9.960 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.960 5.945 -9.177 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.723 5.684 -8.333 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.156 4.914 -7.096 1.00 0.00 C ATOM 0 HA PRO A 69 -4.007 5.546 -8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.769 5.727 -10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.260 6.991 -9.118 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.012 5.113 -8.900 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.248 6.624 -8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.605 3.979 -6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.973 5.488 -6.188 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.553 3.462 -9.647 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.927 2.303 -10.439 1.00 0.00 C ATOM 1017 C LYS A 70 -6.393 2.428 -10.856 1.00 0.00 C ATOM 1018 O LYS A 70 -6.755 2.075 -11.977 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.611 1.012 -9.682 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.767 1.298 -8.438 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.522 2.193 -7.456 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.006 1.821 -7.403 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.786 2.890 -6.741 1.00 0.00 N ATOM 0 H LYS A 70 -5.338 3.977 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.337 2.261 -11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.539 0.521 -9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.078 0.323 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.502 0.360 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.834 1.779 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.084 2.099 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.415 3.236 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.383 1.660 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.133 0.883 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.695 3.011 -7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.959 2.630 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.253 3.782 -6.777 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.198 2.932 -9.932 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.617 3.107 -10.190 1.00 0.00 C ATOM 1039 C GLN A 71 -8.830 4.083 -11.350 1.00 0.00 C ATOM 1040 O GLN A 71 -9.441 5.135 -11.177 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.349 3.583 -8.933 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.671 2.407 -8.009 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.287 2.895 -6.697 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.421 3.342 -6.641 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.480 2.786 -5.645 1.00 0.00 N ATOM 0 H GLN A 71 -6.894 3.225 -9.003 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.036 2.141 -10.471 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.734 4.309 -8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.271 4.092 -9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.361 1.726 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.761 1.844 -7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.542 2.403 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.800 3.085 -4.724 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.310 3.698 -12.506 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.435 4.525 -13.695 1.00 0.00 C ATOM 1056 C ARG A 72 -9.521 3.970 -14.617 1.00 0.00 C ATOM 1057 O ARG A 72 -10.474 4.671 -14.954 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.111 4.594 -14.459 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.348 4.549 -15.970 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.084 4.948 -16.736 1.00 0.00 C ATOM 1061 NE ARG A 72 -6.288 4.750 -18.187 1.00 0.00 N ATOM 1062 CZ ARG A 72 -5.419 5.159 -19.136 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.278 5.794 -18.793 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -5.704 4.931 -20.405 1.00 0.00 N ATOM 0 H ARG A 72 -7.801 2.825 -12.645 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.708 5.530 -13.373 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.583 5.511 -14.197 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.472 3.762 -14.162 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.654 3.545 -16.264 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.165 5.221 -16.234 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.840 5.991 -16.534 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.238 4.351 -16.395 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.138 4.275 -18.490 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.067 5.968 -17.810 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.627 6.100 -19.516 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.569 4.453 -20.655 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.059 5.233 -21.135 1.00 0.00 H new ATOM 1078 N PRO A 73 -9.335 2.681 -15.012 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.288 2.024 -15.889 1.00 0.00 C ATOM 1080 C PRO A 73 -11.562 1.644 -15.132 1.00 0.00 C ATOM 1081 O PRO A 73 -11.986 0.491 -15.160 1.00 0.00 O ATOM 1082 CB PRO A 73 -9.546 0.819 -16.443 1.00 0.00 C ATOM 1083 CG PRO A 73 -8.373 0.583 -15.504 1.00 0.00 C ATOM 1084 CD PRO A 73 -8.220 1.820 -14.634 1.00 0.00 C ATOM 0 HA PRO A 73 -10.631 2.671 -16.696 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.196 -0.055 -16.483 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.201 1.007 -17.460 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.548 -0.299 -14.887 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.460 0.399 -16.071 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.258 1.566 -13.575 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.263 2.312 -14.810 1.00 0.00 H new ATOM 1092 N GLY A 74 -12.137 2.639 -14.470 1.00 0.00 N ATOM 1093 CA GLY A 74 -13.354 2.425 -13.705 1.00 0.00 C ATOM 1094 C GLY A 74 -13.225 1.195 -12.804 1.00 0.00 C ATOM 1095 O GLY A 74 -13.919 1.085 -11.795 1.00 0.00 O ATOM 0 H GLY A 74 -11.782 3.595 -14.448 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.566 3.305 -13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.197 2.296 -14.384 1.00 0.00 H new TER 1099 GLY A 74 ATOM 1100 N HIS B 1 -7.190 -9.887 -11.125 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.372 -9.986 -9.686 1.00 0.00 C ATOM 1102 C HIS B 1 -6.090 -9.545 -8.977 1.00 0.00 C ATOM 1103 O HIS B 1 -5.271 -10.378 -8.592 1.00 0.00 O ATOM 1104 CB HIS B 1 -7.814 -11.396 -9.289 1.00 0.00 C ATOM 1105 CG HIS B 1 -7.767 -11.659 -7.803 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -8.460 -10.891 -6.884 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -7.103 -12.610 -7.088 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -8.217 -11.368 -5.672 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -7.375 -12.433 -5.800 1.00 0.00 N ATOM 0 H1 HIS B 1 -8.119 -9.834 -11.590 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.643 -9.031 -11.348 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.678 -10.724 -11.469 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.171 -9.316 -9.370 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -8.831 -11.560 -9.645 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.178 -12.121 -9.796 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -6.464 -13.378 -7.499 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -8.616 -10.981 -4.746 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -7.014 -13.000 -5.033 1.00 0.00 H new ATOM 1118 N ARG B 2 -5.957 -8.235 -8.825 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.788 -7.672 -8.169 1.00 0.00 C ATOM 1120 C ARG B 2 -4.935 -6.155 -8.032 1.00 0.00 C ATOM 1121 O ARG B 2 -5.809 -5.554 -8.655 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.513 -7.986 -8.954 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.703 -9.088 -8.266 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.456 -8.512 -7.592 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.021 -9.400 -6.491 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.783 -9.702 -5.417 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.025 -9.188 -5.291 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.294 -10.506 -4.490 1.00 0.00 N ATOM 0 H ARG B 2 -6.639 -7.547 -9.145 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.713 -8.123 -7.180 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.772 -8.298 -9.966 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.906 -7.085 -9.044 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.323 -9.590 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.410 -9.840 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.654 -8.405 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.669 -7.516 -7.204 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.088 -9.809 -6.546 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.395 -8.566 -6.010 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.593 -9.421 -4.477 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.354 -10.889 -4.591 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.856 -10.744 -3.673 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.068 -5.581 -7.212 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.091 -4.147 -6.984 1.00 0.00 C ATOM 1144 C TYR B 3 -2.796 -3.493 -7.473 1.00 0.00 C ATOM 1145 O TYR B 3 -2.176 -2.717 -6.748 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.201 -3.960 -5.469 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.464 -5.258 -4.701 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.412 -6.086 -4.366 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.752 -5.599 -4.344 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.659 -7.307 -3.644 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -5.998 -6.821 -3.621 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.940 -7.615 -3.306 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.174 -8.767 -2.624 1.00 0.00 O ATOM 0 H TYR B 3 -3.345 -6.083 -6.697 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.920 -3.687 -7.523 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.278 -3.512 -5.100 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.005 -3.255 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.404 -5.818 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.575 -4.951 -4.606 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.845 -7.964 -3.377 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.001 -7.100 -3.335 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.696 -8.570 -1.818 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.426 -3.833 -8.699 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.216 -3.289 -9.293 1.00 0.00 C ATOM 1165 C TYR B 4 -1.274 -1.762 -9.355 1.00 0.00 C ATOM 1166 O TYR B 4 -2.109 -1.141 -8.698 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.159 -3.844 -10.717 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.181 -5.007 -10.892 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.602 -6.304 -10.675 1.00 0.00 C ATOM 1170 CD2 TYR B 4 1.124 -4.761 -11.268 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.320 -7.398 -10.839 1.00 0.00 C ATOM 1172 CE2 TYR B 4 2.045 -5.854 -11.433 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.598 -7.120 -11.211 1.00 0.00 C ATOM 1174 OH TYR B 4 2.468 -8.153 -11.368 1.00 0.00 O ATOM 0 H TYR B 4 -2.942 -4.478 -9.297 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.342 -3.563 -8.702 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.156 -4.174 -11.008 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -0.878 -3.041 -11.398 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.623 -6.498 -10.382 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.454 -3.747 -11.439 1.00 0.00 H new ATOM 0 HE1 TYR B 4 0.003 -8.417 -10.670 1.00 0.00 H new ATOM 0 HE2 TYR B 4 3.069 -5.674 -11.727 1.00 0.00 H new ATOM 0 HH TYR B 4 3.135 -8.131 -10.650 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.378 -1.199 -10.153 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.317 0.243 -10.311 1.00 0.00 C ATOM 1186 C GLU B 5 -0.841 0.649 -11.690 1.00 0.00 C ATOM 1187 O GLU B 5 -0.274 1.527 -12.339 1.00 0.00 O ATOM 1188 CB GLU B 5 1.107 0.759 -10.092 1.00 0.00 C ATOM 1189 CG GLU B 5 1.940 0.627 -11.368 1.00 0.00 C ATOM 1190 CD GLU B 5 2.359 2.002 -11.893 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.791 2.860 -11.110 1.00 0.00 O ATOM 1192 OE2 GLU B 5 2.225 2.164 -13.167 1.00 0.00 O ATOM 0 H GLU B 5 0.312 -1.717 -10.697 1.00 0.00 H new ATOM 0 HA GLU B 5 -0.954 0.699 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU B 5 1.075 1.803 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.580 0.200 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.826 0.025 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.364 0.103 -12.130 1.00 0.00 H new ATOM 1200 N SER B 6 -1.917 -0.008 -12.095 1.00 0.00 N ATOM 1201 CA SER B 6 -2.525 0.274 -13.385 1.00 0.00 C ATOM 1202 C SER B 6 -4.017 -0.061 -13.345 1.00 0.00 C ATOM 1203 O SER B 6 -4.727 0.136 -14.330 1.00 0.00 O ATOM 1204 CB SER B 6 -1.835 -0.512 -14.502 1.00 0.00 C ATOM 1205 OG SER B 6 -1.582 0.297 -15.647 1.00 0.00 O ATOM 0 H SER B 6 -2.384 -0.735 -11.553 1.00 0.00 H new ATOM 0 HA SER B 6 -2.403 1.337 -13.595 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.894 -0.919 -14.131 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.459 -1.359 -14.787 1.00 0.00 H new ATOM 0 HG SER B 6 -0.618 0.323 -15.823 1.00 0.00 H new ATOM 1211 N SER B 7 -4.449 -0.559 -12.196 1.00 0.00 N ATOM 1212 CA SER B 7 -5.844 -0.922 -12.015 1.00 0.00 C ATOM 1213 C SER B 7 -6.096 -1.324 -10.560 1.00 0.00 C ATOM 1214 O SER B 7 -5.154 -1.583 -9.812 1.00 0.00 O ATOM 1215 CB SER B 7 -6.243 -2.061 -12.955 1.00 0.00 C ATOM 1216 OG SER B 7 -7.425 -2.726 -12.518 1.00 0.00 O ATOM 0 H SER B 7 -3.857 -0.720 -11.381 1.00 0.00 H new ATOM 0 HA SER B 7 -6.457 -0.054 -12.258 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.400 -1.665 -13.958 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.426 -2.780 -13.021 1.00 0.00 H new ATOM 0 HG SER B 7 -8.173 -2.093 -12.511 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.371 -1.362 -10.203 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.759 -1.727 -8.850 1.00 0.00 C ATOM 1224 C LEU B 8 -8.785 -2.859 -8.907 1.00 0.00 C ATOM 1225 O LEU B 8 -8.967 -3.588 -7.933 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.240 -0.496 -8.080 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.198 -0.601 -6.554 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.387 -1.408 -6.027 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.861 -1.174 -6.080 1.00 0.00 C ATOM 0 H LEU B 8 -8.149 -1.146 -10.826 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.900 -2.104 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.633 0.357 -8.383 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.265 -0.281 -8.382 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.282 0.404 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.333 -1.468 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.316 -0.919 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.359 -2.413 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.858 -1.238 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.721 -2.169 -6.502 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.050 -0.524 -6.408 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.433 -2.971 -10.057 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.438 -4.001 -10.253 1.00 0.00 C ATOM 1243 C GLU B 9 -9.775 -5.324 -10.644 1.00 0.00 C ATOM 1244 O GLU B 9 -8.783 -5.334 -11.371 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.466 -3.572 -11.304 1.00 0.00 C ATOM 1246 CG GLU B 9 -11.861 -2.107 -11.117 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.319 -1.841 -9.682 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -11.483 -1.602 -8.797 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.595 -1.889 -9.497 1.00 0.00 O ATOM 0 H GLU B 9 -9.281 -2.365 -10.863 1.00 0.00 H new ATOM 0 HA GLU B 9 -10.968 -4.147 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.053 -3.717 -12.302 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.351 -4.203 -11.231 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.014 -1.465 -11.357 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.661 -1.851 -11.811 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.365 -6.436 -10.130 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.841 -7.761 -10.417 1.00 0.00 C ATOM 1259 C PRO B 10 -10.191 -8.191 -11.842 1.00 0.00 C ATOM 1260 O PRO B 10 -10.427 -9.371 -12.098 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.452 -8.663 -9.356 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.650 -7.908 -8.805 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.541 -6.463 -9.265 1.00 0.00 C ATOM 0 HA PRO B 10 -8.753 -7.802 -10.377 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.756 -9.618 -9.784 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.732 -8.881 -8.567 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.579 -8.353 -9.161 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.668 -7.962 -7.716 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.436 -6.151 -9.804 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.426 -5.786 -8.419 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.213 -7.212 -12.734 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.531 -7.475 -14.128 1.00 0.00 C ATOM 1273 C TRP B 11 -9.506 -6.738 -14.992 1.00 0.00 C ATOM 1274 O TRP B 11 -9.080 -7.250 -16.026 1.00 0.00 O ATOM 1275 CB TRP B 11 -11.974 -7.081 -14.445 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.658 -7.992 -15.466 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.607 -9.329 -15.543 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.502 -7.577 -16.559 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.353 -9.805 -16.603 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -13.916 -8.704 -17.240 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -13.905 -6.291 -16.960 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -14.751 -8.659 -18.361 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -14.741 -6.262 -18.083 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.166 -7.388 -18.778 1.00 0.00 C ATOM 0 H TRP B 11 -10.016 -6.235 -12.519 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.467 -8.541 -14.344 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.553 -7.088 -13.522 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -11.986 -6.058 -14.821 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.052 -9.956 -14.861 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.470 -10.783 -16.869 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -13.594 -5.396 -16.442 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.059 -9.556 -18.877 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.079 -5.298 -18.433 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -15.814 -7.283 -19.636 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.141 -5.549 -14.537 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.174 -4.736 -15.257 1.00 0.00 C ATOM 1297 C TYR B 12 -6.764 -4.941 -14.702 1.00 0.00 C ATOM 1298 O TYR B 12 -5.784 -4.861 -15.441 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.593 -3.283 -15.030 1.00 0.00 C ATOM 1300 CG TYR B 12 -9.842 -2.865 -15.809 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.096 -3.104 -15.283 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -9.716 -2.251 -17.039 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.271 -2.712 -16.017 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -10.891 -1.858 -17.772 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.110 -2.108 -17.225 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.221 -1.739 -17.919 1.00 0.00 O ATOM 0 H TYR B 12 -9.497 -5.128 -13.679 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.156 -5.006 -16.313 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.773 -3.130 -13.966 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -7.767 -2.630 -15.311 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -11.196 -3.585 -14.321 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -8.735 -2.065 -17.452 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -13.258 -2.893 -15.617 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -10.806 -1.376 -18.735 1.00 0.00 H new ATOM 0 HH TYR B 12 -12.955 -1.318 -18.763 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.704 -5.207 -13.370 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.429 -5.424 -12.706 1.00 0.00 C ATOM 1318 C PRO B 13 -4.864 -6.805 -13.043 1.00 0.00 C ATOM 1319 O PRO B 13 -3.663 -6.949 -13.273 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.722 -5.247 -11.225 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.227 -5.400 -11.076 1.00 0.00 C ATOM 1322 CD PRO B 13 -7.844 -5.309 -12.463 1.00 0.00 C ATOM 0 HA PRO B 13 -4.660 -4.724 -13.033 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.193 -5.992 -10.631 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.393 -4.268 -10.876 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.470 -6.356 -10.612 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.628 -4.621 -10.428 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.450 -6.188 -12.685 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.498 -4.441 -12.549 1.00 0.00 H new ATOM 1330 N ASP B 14 -5.754 -7.786 -13.062 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.358 -9.150 -13.368 1.00 0.00 C ATOM 1332 C ASP B 14 -6.604 -9.980 -13.679 1.00 0.00 C ATOM 1333 O ASP B 14 -7.392 -9.622 -14.552 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.645 -9.795 -12.177 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.797 -11.315 -12.079 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.918 -11.840 -11.997 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -3.691 -11.976 -12.087 1.00 0.00 O ATOM 0 H ASP B 14 -6.748 -7.663 -12.870 1.00 0.00 H new ATOM 0 HA ASP B 14 -4.682 -9.122 -14.222 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.584 -9.554 -12.234 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.025 -9.347 -11.259 1.00 0.00 H new TER 1343 ASP B 14