USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 567 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 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 SER OG : rot 87:sc= 0.756 USER MOD Set 2.1: A 5 THR OG1 : rot -100:sc= -3.71! USER MOD Set 2.2: A 8 THR OG1 : rot -90:sc= 2.11 USER MOD Single : A 1 ILE N :NH3+ -154:sc= -1.33 (180deg=-2.33!) USER MOD Single : A 4 HIS : no HD1:sc= -13.5! C(o=-13!,f=-15!) USER MOD Single : A 6 THR OG1 : rot 52:sc= -5.85! USER MOD Single : A 9 SER OG : rot 180:sc= -0.994 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 21 ASN : amide:sc= -9.08! C(o=-9.1!,f=-6.2!) 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 178:sc= 0 (180deg=-0.00497) USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= -0.141 (180deg=-0.986) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.105) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 65:sc= -1.39! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -9.62! C(o=-9.6!,f=-12!) USER MOD Single : A 68 HIS : no HD1:sc= -8.6! C(o=-8.6!,f=-7.6!) USER MOD Single : A 70 LYS NZ :NH3+ -130:sc= -2.21! (180deg=-3.8!) USER MOD Single : A 71 GLN : amide:sc= -11.3! C(o=-11!,f=-9.2!) USER MOD Single : B 3 TYR OH : rot 35:sc= -5.15! USER MOD Single : B 4 TYR OH : rot 50:sc= -1.4 USER MOD Single : B 6 SER OG : rot -129:sc= -0.0964 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 8.649 15.005 0.608 1.00 0.00 N ATOM 2 CA ILE A 1 7.276 14.784 0.071 1.00 0.00 C ATOM 3 C ILE A 1 6.444 13.965 1.063 1.00 0.00 C ATOM 4 O ILE A 1 6.831 13.763 2.197 1.00 0.00 O ATOM 5 CB ILE A 1 7.479 14.002 -1.226 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.972 12.591 -0.897 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.517 14.713 -2.096 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.955 11.736 -2.166 1.00 0.00 C ATOM 0 H1 ILE A 1 9.047 15.873 0.197 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.606 15.100 1.643 1.00 0.00 H new ATOM 0 H3 ILE A 1 9.253 14.196 0.360 1.00 0.00 H new ATOM 0 HA ILE A 1 6.743 15.720 -0.095 1.00 0.00 H new ATOM 0 HB ILE A 1 6.534 13.943 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.981 12.633 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.337 12.141 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.661 14.154 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 1 8.168 15.719 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 1 9.463 14.773 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.306 10.731 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.938 11.684 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.608 12.183 -2.915 1.00 0.00 H new ATOM 22 N VAL A 2 5.303 13.492 0.641 1.00 0.00 N ATOM 23 CA VAL A 2 4.443 12.685 1.554 1.00 0.00 C ATOM 24 C VAL A 2 4.051 11.373 0.877 1.00 0.00 C ATOM 25 O VAL A 2 4.092 11.249 -0.331 1.00 0.00 O ATOM 26 CB VAL A 2 3.202 13.540 1.788 1.00 0.00 C ATOM 27 CG1 VAL A 2 2.404 12.988 2.968 1.00 0.00 C ATOM 28 CG2 VAL A 2 3.624 14.978 2.087 1.00 0.00 C ATOM 0 H VAL A 2 4.928 13.630 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 2 4.952 12.434 2.485 1.00 0.00 H new ATOM 0 HB VAL A 2 2.579 13.519 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.519 13.604 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.099 11.964 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.024 13.002 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.738 15.590 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.251 14.995 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.185 15.376 1.241 1.00 0.00 H new ATOM 38 N CYS A 3 3.681 10.391 1.645 1.00 0.00 N ATOM 39 CA CYS A 3 3.296 9.085 1.047 1.00 0.00 C ATOM 40 C CYS A 3 2.047 8.532 1.734 1.00 0.00 C ATOM 41 O CYS A 3 1.735 8.901 2.846 1.00 0.00 O ATOM 42 CB CYS A 3 4.481 8.171 1.322 1.00 0.00 C ATOM 43 SG CYS A 3 6.035 9.053 1.019 1.00 0.00 S ATOM 0 H CYS A 3 3.628 10.435 2.663 1.00 0.00 H new ATOM 0 HA CYS A 3 3.069 9.172 -0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.448 7.821 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.425 7.289 0.684 1.00 0.00 H new ATOM 48 N HIS A 4 1.345 7.629 1.098 1.00 0.00 N ATOM 49 CA HIS A 4 0.134 7.053 1.752 1.00 0.00 C ATOM 50 C HIS A 4 0.498 5.775 2.482 1.00 0.00 C ATOM 51 O HIS A 4 1.408 5.069 2.097 1.00 0.00 O ATOM 52 CB HIS A 4 -0.847 6.704 0.652 1.00 0.00 C ATOM 53 CG HIS A 4 -1.076 7.867 -0.269 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.414 9.122 0.197 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.045 7.970 -1.632 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.566 9.926 -0.871 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.351 9.273 -2.015 1.00 0.00 N ATOM 0 H HIS A 4 1.555 7.270 0.167 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.286 7.767 2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.469 5.856 0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.795 6.395 1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.817 7.161 -2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.830 10.972 -0.810 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.400 9.647 -2.963 1.00 0.00 H new ATOM 65 N THR A 5 -0.223 5.441 3.506 1.00 0.00 N ATOM 66 CA THR A 5 0.078 4.182 4.209 1.00 0.00 C ATOM 67 C THR A 5 -1.133 3.270 4.110 1.00 0.00 C ATOM 68 O THR A 5 -2.122 3.413 4.800 1.00 0.00 O ATOM 69 CB THR A 5 0.381 4.530 5.659 1.00 0.00 C ATOM 70 OG1 THR A 5 -0.769 4.307 6.447 1.00 0.00 O ATOM 71 CG2 THR A 5 0.834 5.986 5.798 1.00 0.00 C ATOM 0 H THR A 5 -1.001 5.983 3.882 1.00 0.00 H new ATOM 0 HA THR A 5 0.933 3.667 3.771 1.00 0.00 H new ATOM 0 HB THR A 5 1.194 3.891 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.223 5.160 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.043 6.204 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.736 6.144 5.208 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.046 6.648 5.440 1.00 0.00 H new ATOM 79 N THR A 6 -1.048 2.343 3.232 1.00 0.00 N ATOM 80 CA THR A 6 -2.163 1.383 3.033 1.00 0.00 C ATOM 81 C THR A 6 -2.092 0.296 4.101 1.00 0.00 C ATOM 82 O THR A 6 -2.981 -0.514 4.242 1.00 0.00 O ATOM 83 CB THR A 6 -1.913 0.787 1.652 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.544 0.946 1.325 1.00 0.00 O ATOM 85 CG2 THR A 6 -2.772 1.512 0.620 1.00 0.00 C ATOM 0 H THR A 6 -0.242 2.196 2.625 1.00 0.00 H new ATOM 0 HA THR A 6 -3.145 1.850 3.106 1.00 0.00 H new ATOM 0 HB THR A 6 -2.172 -0.272 1.654 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.009 0.597 2.054 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.593 1.085 -0.367 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.825 1.399 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.513 2.571 0.610 1.00 0.00 H new ATOM 93 N ALA A 7 -1.029 0.266 4.848 1.00 0.00 N ATOM 94 CA ALA A 7 -0.896 -0.773 5.897 1.00 0.00 C ATOM 95 C ALA A 7 -1.446 -0.266 7.235 1.00 0.00 C ATOM 96 O ALA A 7 -1.223 -0.861 8.271 1.00 0.00 O ATOM 97 CB ALA A 7 0.603 -1.056 5.972 1.00 0.00 C ATOM 0 H ALA A 7 -0.247 0.917 4.777 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.464 -1.675 5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.792 -1.818 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.955 -1.411 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.133 -0.141 6.238 1.00 0.00 H new ATOM 103 N THR A 8 -2.169 0.825 7.225 1.00 0.00 N ATOM 104 CA THR A 8 -2.732 1.353 8.503 1.00 0.00 C ATOM 105 C THR A 8 -4.223 1.013 8.621 1.00 0.00 C ATOM 106 O THR A 8 -4.598 0.031 9.229 1.00 0.00 O ATOM 107 CB THR A 8 -2.535 2.869 8.439 1.00 0.00 C ATOM 108 OG1 THR A 8 -2.868 3.338 7.140 1.00 0.00 O ATOM 109 CG2 THR A 8 -1.078 3.209 8.753 1.00 0.00 C ATOM 0 H THR A 8 -2.392 1.370 6.392 1.00 0.00 H new ATOM 0 HA THR A 8 -2.239 0.914 9.371 1.00 0.00 H new ATOM 0 HB THR A 8 -3.183 3.350 9.172 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.070 3.321 6.571 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.938 4.289 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.829 2.853 9.753 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.427 2.728 8.023 1.00 0.00 H new ATOM 117 N SER A 9 -5.074 1.823 8.050 1.00 0.00 N ATOM 118 CA SER A 9 -6.539 1.552 8.138 1.00 0.00 C ATOM 119 C SER A 9 -7.323 2.502 7.218 1.00 0.00 C ATOM 120 O SER A 9 -8.029 2.070 6.328 1.00 0.00 O ATOM 121 CB SER A 9 -6.899 1.808 9.601 1.00 0.00 C ATOM 122 OG SER A 9 -8.159 2.463 9.667 1.00 0.00 O ATOM 0 H SER A 9 -4.819 2.660 7.527 1.00 0.00 H new ATOM 0 HA SER A 9 -6.787 0.538 7.824 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.937 0.866 10.148 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.132 2.421 10.074 1.00 0.00 H new ATOM 0 HG SER A 9 -8.394 2.627 10.604 1.00 0.00 H new ATOM 128 N PRO A 10 -7.185 3.774 7.485 1.00 0.00 N ATOM 129 CA PRO A 10 -7.900 4.818 6.694 1.00 0.00 C ATOM 130 C PRO A 10 -7.271 5.040 5.323 1.00 0.00 C ATOM 131 O PRO A 10 -7.947 5.269 4.339 1.00 0.00 O ATOM 132 CB PRO A 10 -7.693 6.076 7.520 1.00 0.00 C ATOM 133 CG PRO A 10 -6.440 5.838 8.295 1.00 0.00 C ATOM 134 CD PRO A 10 -6.363 4.361 8.552 1.00 0.00 C ATOM 0 HA PRO A 10 -8.939 4.541 6.517 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.599 6.954 6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.539 6.254 8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.569 6.179 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.454 6.393 9.233 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.335 4.001 8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.748 4.107 9.539 1.00 0.00 H new ATOM 142 N ILE A 11 -5.976 5.033 5.281 1.00 0.00 N ATOM 143 CA ILE A 11 -5.237 5.303 4.020 1.00 0.00 C ATOM 144 C ILE A 11 -5.224 6.804 3.759 1.00 0.00 C ATOM 145 O ILE A 11 -6.231 7.421 3.477 1.00 0.00 O ATOM 146 CB ILE A 11 -5.951 4.502 2.930 1.00 0.00 C ATOM 147 CG1 ILE A 11 -4.911 3.591 2.244 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.631 5.432 1.907 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.197 3.454 0.735 1.00 0.00 C ATOM 0 H ILE A 11 -5.380 4.847 6.088 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.192 4.997 4.059 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.740 3.896 3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.912 4.001 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.924 2.606 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.130 4.832 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.365 6.057 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.880 6.066 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.448 2.806 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.187 3.021 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.159 4.438 0.267 1.00 0.00 H new ATOM 161 N SER A 12 -4.074 7.383 3.872 1.00 0.00 N ATOM 162 CA SER A 12 -3.932 8.844 3.658 1.00 0.00 C ATOM 163 C SER A 12 -2.453 9.162 3.506 1.00 0.00 C ATOM 164 O SER A 12 -1.608 8.347 3.828 1.00 0.00 O ATOM 165 CB SER A 12 -4.502 9.495 4.918 1.00 0.00 C ATOM 166 OG SER A 12 -4.210 8.675 6.042 1.00 0.00 O ATOM 0 H SER A 12 -3.207 6.900 4.108 1.00 0.00 H new ATOM 0 HA SER A 12 -4.449 9.203 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.072 10.487 5.055 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.580 9.626 4.818 1.00 0.00 H new ATOM 0 HG SER A 12 -4.572 9.090 6.853 1.00 0.00 H new ATOM 172 N ALA A 13 -2.122 10.317 3.005 1.00 0.00 N ATOM 173 CA ALA A 13 -0.684 10.639 2.820 1.00 0.00 C ATOM 174 C ALA A 13 -0.130 11.468 3.963 1.00 0.00 C ATOM 175 O ALA A 13 -0.484 12.615 4.147 1.00 0.00 O ATOM 176 CB ALA A 13 -0.604 11.444 1.533 1.00 0.00 C ATOM 0 H ALA A 13 -2.777 11.044 2.719 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.096 9.722 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.433 11.715 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.985 10.846 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.203 12.349 1.632 1.00 0.00 H new ATOM 182 N VAL A 14 0.779 10.912 4.698 1.00 0.00 N ATOM 183 CA VAL A 14 1.404 11.686 5.789 1.00 0.00 C ATOM 184 C VAL A 14 2.888 11.806 5.492 1.00 0.00 C ATOM 185 O VAL A 14 3.506 10.908 4.948 1.00 0.00 O ATOM 186 CB VAL A 14 1.168 10.906 7.089 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.208 10.253 7.050 1.00 0.00 C ATOM 188 CG2 VAL A 14 2.248 9.833 7.263 1.00 0.00 C ATOM 0 H VAL A 14 1.116 9.955 4.590 1.00 0.00 H new ATOM 0 HA VAL A 14 0.984 12.687 5.881 1.00 0.00 H new ATOM 0 HB VAL A 14 1.217 11.595 7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.374 9.699 7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.973 11.022 6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.262 9.570 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.071 9.285 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.214 9.142 6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.229 10.307 7.304 1.00 0.00 H new ATOM 198 N THR A 15 3.458 12.901 5.839 1.00 0.00 N ATOM 199 CA THR A 15 4.908 13.082 5.588 1.00 0.00 C ATOM 200 C THR A 15 5.687 11.937 6.239 1.00 0.00 C ATOM 201 O THR A 15 5.186 11.253 7.110 1.00 0.00 O ATOM 202 CB THR A 15 5.258 14.400 6.257 1.00 0.00 C ATOM 203 OG1 THR A 15 4.274 15.373 5.934 1.00 0.00 O ATOM 204 CG2 THR A 15 6.625 14.863 5.762 1.00 0.00 C ATOM 0 H THR A 15 2.990 13.688 6.288 1.00 0.00 H new ATOM 0 HA THR A 15 5.153 13.085 4.526 1.00 0.00 H new ATOM 0 HB THR A 15 5.287 14.269 7.339 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.499 16.223 6.367 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.883 15.809 6.238 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.376 14.114 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.594 14.998 4.681 1.00 0.00 H new ATOM 212 N CYS A 16 6.905 11.721 5.832 1.00 0.00 N ATOM 213 CA CYS A 16 7.700 10.618 6.444 1.00 0.00 C ATOM 214 C CYS A 16 9.081 11.124 6.876 1.00 0.00 C ATOM 215 O CYS A 16 9.413 12.275 6.670 1.00 0.00 O ATOM 216 CB CYS A 16 7.815 9.560 5.347 1.00 0.00 C ATOM 217 SG CYS A 16 6.757 8.153 5.773 1.00 0.00 S ATOM 0 H CYS A 16 7.384 12.255 5.107 1.00 0.00 H new ATOM 0 HA CYS A 16 7.230 10.217 7.342 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.515 9.979 4.386 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.850 9.235 5.244 1.00 0.00 H new ATOM 222 N PRO A 17 9.834 10.242 7.480 1.00 0.00 N ATOM 223 CA PRO A 17 11.192 10.597 7.972 1.00 0.00 C ATOM 224 C PRO A 17 12.157 10.840 6.807 1.00 0.00 C ATOM 225 O PRO A 17 11.813 10.638 5.659 1.00 0.00 O ATOM 226 CB PRO A 17 11.609 9.370 8.781 1.00 0.00 C ATOM 227 CG PRO A 17 10.802 8.247 8.216 1.00 0.00 C ATOM 228 CD PRO A 17 9.498 8.841 7.757 1.00 0.00 C ATOM 0 HA PRO A 17 11.203 11.517 8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.677 9.177 8.684 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.405 9.508 9.843 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.326 7.774 7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.633 7.476 8.967 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.119 8.337 6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.728 8.758 8.524 1.00 0.00 H new ATOM 236 N PRO A 18 13.340 11.274 7.154 1.00 0.00 N ATOM 237 CA PRO A 18 14.383 11.561 6.137 1.00 0.00 C ATOM 238 C PRO A 18 14.925 10.265 5.532 1.00 0.00 C ATOM 239 O PRO A 18 15.288 10.219 4.373 1.00 0.00 O ATOM 240 CB PRO A 18 15.467 12.286 6.930 1.00 0.00 C ATOM 241 CG PRO A 18 15.280 11.833 8.342 1.00 0.00 C ATOM 242 CD PRO A 18 13.814 11.537 8.518 1.00 0.00 C ATOM 0 HA PRO A 18 14.008 12.147 5.298 1.00 0.00 H new ATOM 0 HB2 PRO A 18 16.461 12.033 6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.362 13.368 6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 18 15.880 10.946 8.545 1.00 0.00 H new ATOM 0 HG3 PRO A 18 15.605 12.604 9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 18 13.656 10.677 9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.288 12.379 8.968 1.00 0.00 H new ATOM 250 N GLY A 19 14.981 9.212 6.303 1.00 0.00 N ATOM 251 CA GLY A 19 15.496 7.921 5.761 1.00 0.00 C ATOM 252 C GLY A 19 14.902 7.700 4.378 1.00 0.00 C ATOM 253 O GLY A 19 15.611 7.575 3.399 1.00 0.00 O ATOM 0 H GLY A 19 14.693 9.190 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.584 7.942 5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.226 7.099 6.424 1.00 0.00 H new ATOM 257 N GLU A 20 13.603 7.669 4.282 1.00 0.00 N ATOM 258 CA GLU A 20 12.976 7.480 2.963 1.00 0.00 C ATOM 259 C GLU A 20 13.248 8.719 2.107 1.00 0.00 C ATOM 260 O GLU A 20 13.103 9.838 2.557 1.00 0.00 O ATOM 261 CB GLU A 20 11.475 7.347 3.256 1.00 0.00 C ATOM 262 CG GLU A 20 10.680 8.023 2.138 1.00 0.00 C ATOM 263 CD GLU A 20 10.503 9.508 2.459 1.00 0.00 C ATOM 264 OE1 GLU A 20 10.375 9.831 3.629 1.00 0.00 O ATOM 265 OE2 GLU A 20 10.499 10.299 1.530 1.00 0.00 O ATOM 0 H GLU A 20 12.956 7.767 5.064 1.00 0.00 H new ATOM 0 HA GLU A 20 13.358 6.612 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.199 6.295 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.238 7.807 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.199 7.906 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.706 7.545 2.031 1.00 0.00 H new ATOM 272 N ASN A 21 13.612 8.531 0.877 1.00 0.00 N ATOM 273 CA ASN A 21 13.858 9.692 0.000 1.00 0.00 C ATOM 274 C ASN A 21 12.596 9.923 -0.832 1.00 0.00 C ATOM 275 O ASN A 21 12.375 10.985 -1.379 1.00 0.00 O ATOM 276 CB ASN A 21 15.040 9.282 -0.875 1.00 0.00 C ATOM 277 CG ASN A 21 16.107 8.562 -0.033 1.00 0.00 C ATOM 278 OD1 ASN A 21 16.937 7.858 -0.573 1.00 0.00 O ATOM 279 ND2 ASN A 21 16.129 8.702 1.272 1.00 0.00 N ATOM 0 H ASN A 21 13.750 7.619 0.442 1.00 0.00 H new ATOM 0 HA ASN A 21 14.080 10.616 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.697 8.627 -1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.474 10.163 -1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.839 8.222 1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.436 9.291 1.733 1.00 0.00 H new ATOM 286 N LEU A 22 11.757 8.920 -0.907 1.00 0.00 N ATOM 287 CA LEU A 22 10.488 9.040 -1.671 1.00 0.00 C ATOM 288 C LEU A 22 9.461 8.051 -1.124 1.00 0.00 C ATOM 289 O LEU A 22 9.677 7.404 -0.124 1.00 0.00 O ATOM 290 CB LEU A 22 10.840 8.665 -3.105 1.00 0.00 C ATOM 291 CG LEU A 22 11.442 7.258 -3.144 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.526 6.329 -3.950 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.815 7.317 -3.814 1.00 0.00 C ATOM 0 H LEU A 22 11.904 8.013 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 22 10.064 10.042 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.948 8.705 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.549 9.385 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 22 11.542 6.877 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.956 5.328 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.543 6.289 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.427 6.709 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.248 6.317 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.708 7.697 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.469 7.979 -3.246 1.00 0.00 H new ATOM 305 N CYS A 23 8.356 7.916 -1.789 1.00 0.00 N ATOM 306 CA CYS A 23 7.322 6.956 -1.332 1.00 0.00 C ATOM 307 C CYS A 23 7.456 5.672 -2.142 1.00 0.00 C ATOM 308 O CYS A 23 8.315 5.559 -2.991 1.00 0.00 O ATOM 309 CB CYS A 23 5.999 7.643 -1.633 1.00 0.00 C ATOM 310 SG CYS A 23 6.038 9.328 -0.978 1.00 0.00 S ATOM 0 H CYS A 23 8.122 8.433 -2.636 1.00 0.00 H new ATOM 0 HA CYS A 23 7.408 6.695 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.823 7.663 -2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.176 7.085 -1.185 1.00 0.00 H new ATOM 315 N TYR A 24 6.624 4.704 -1.913 1.00 0.00 N ATOM 316 CA TYR A 24 6.758 3.461 -2.704 1.00 0.00 C ATOM 317 C TYR A 24 5.462 2.680 -2.736 1.00 0.00 C ATOM 318 O TYR A 24 4.488 3.039 -2.120 1.00 0.00 O ATOM 319 CB TYR A 24 7.855 2.651 -2.022 1.00 0.00 C ATOM 320 CG TYR A 24 7.319 2.031 -0.760 1.00 0.00 C ATOM 321 CD1 TYR A 24 7.378 2.737 0.440 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.771 0.749 -0.795 1.00 0.00 C ATOM 323 CE1 TYR A 24 6.889 2.157 1.618 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.278 0.167 0.379 1.00 0.00 C ATOM 325 CZ TYR A 24 6.338 0.871 1.586 1.00 0.00 C ATOM 326 OH TYR A 24 5.855 0.298 2.745 1.00 0.00 O ATOM 0 H TYR A 24 5.870 4.718 -1.226 1.00 0.00 H new ATOM 0 HA TYR A 24 7.004 3.685 -3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.218 1.874 -2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.704 3.294 -1.790 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.800 3.731 0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.727 0.205 -1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.937 2.702 2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.852 -0.825 0.353 1.00 0.00 H new ATOM 0 HH TYR A 24 5.506 -0.596 2.547 1.00 0.00 H new ATOM 336 N ARG A 25 5.450 1.612 -3.464 1.00 0.00 N ATOM 337 CA ARG A 25 4.208 0.799 -3.551 1.00 0.00 C ATOM 338 C ARG A 25 4.527 -0.687 -3.364 1.00 0.00 C ATOM 339 O ARG A 25 5.129 -1.304 -4.217 1.00 0.00 O ATOM 340 CB ARG A 25 3.682 1.046 -4.967 1.00 0.00 C ATOM 341 CG ARG A 25 3.767 2.539 -5.299 1.00 0.00 C ATOM 342 CD ARG A 25 3.408 2.758 -6.771 1.00 0.00 C ATOM 343 NE ARG A 25 1.950 2.469 -6.859 1.00 0.00 N ATOM 344 CZ ARG A 25 1.202 3.139 -7.693 1.00 0.00 C ATOM 345 NH1 ARG A 25 1.297 4.439 -7.754 1.00 0.00 N ATOM 346 NH2 ARG A 25 0.360 2.509 -8.465 1.00 0.00 N ATOM 0 H ARG A 25 6.241 1.262 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 25 3.485 1.070 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.264 0.470 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.650 0.705 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.087 3.103 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.773 2.910 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.628 3.779 -7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.981 2.096 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 25 1.536 1.748 -6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.956 4.931 -7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.713 4.963 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.286 1.493 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.224 3.033 -9.117 1.00 0.00 H new ATOM 360 N LYS A 26 4.111 -1.285 -2.279 1.00 0.00 N ATOM 361 CA LYS A 26 4.396 -2.731 -2.108 1.00 0.00 C ATOM 362 C LYS A 26 3.161 -3.526 -2.474 1.00 0.00 C ATOM 363 O LYS A 26 2.063 -3.010 -2.516 1.00 0.00 O ATOM 364 CB LYS A 26 4.732 -2.946 -0.631 1.00 0.00 C ATOM 365 CG LYS A 26 6.198 -3.360 -0.500 1.00 0.00 C ATOM 366 CD LYS A 26 6.676 -3.113 0.933 1.00 0.00 C ATOM 367 CE LYS A 26 7.827 -2.106 0.922 1.00 0.00 C ATOM 368 NZ LYS A 26 9.019 -2.882 1.364 1.00 0.00 N ATOM 0 H LYS A 26 3.596 -0.841 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 26 5.220 -3.054 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.549 -2.031 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.086 -3.715 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.313 -4.413 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.810 -2.793 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.854 -2.735 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.003 -4.050 1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.975 -1.686 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.628 -1.271 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.852 -2.259 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.851 -3.264 2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.188 -3.666 0.702 1.00 0.00 H new ATOM 382 N MET A 27 3.327 -4.777 -2.724 1.00 0.00 N ATOM 383 CA MET A 27 2.159 -5.612 -3.066 1.00 0.00 C ATOM 384 C MET A 27 2.465 -7.042 -2.739 1.00 0.00 C ATOM 385 O MET A 27 3.484 -7.585 -3.118 1.00 0.00 O ATOM 386 CB MET A 27 1.920 -5.415 -4.563 1.00 0.00 C ATOM 387 CG MET A 27 0.522 -4.838 -4.786 1.00 0.00 C ATOM 388 SD MET A 27 0.644 -3.324 -5.771 1.00 0.00 S ATOM 389 CE MET A 27 0.931 -4.120 -7.371 1.00 0.00 C ATOM 0 H MET A 27 4.223 -5.264 -2.707 1.00 0.00 H new ATOM 0 HA MET A 27 1.267 -5.336 -2.503 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.672 -4.743 -4.977 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.020 -6.366 -5.086 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.107 -5.567 -5.297 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.048 -4.624 -3.828 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.003 -3.359 -8.148 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.860 -4.689 -7.333 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.103 -4.792 -7.597 1.00 0.00 H new ATOM 399 N TRP A 28 1.603 -7.651 -2.002 1.00 0.00 N ATOM 400 CA TRP A 28 1.866 -9.035 -1.613 1.00 0.00 C ATOM 401 C TRP A 28 0.601 -9.770 -1.240 1.00 0.00 C ATOM 402 O TRP A 28 -0.490 -9.279 -1.335 1.00 0.00 O ATOM 403 CB TRP A 28 2.748 -8.913 -0.396 1.00 0.00 C ATOM 404 CG TRP A 28 2.192 -7.904 0.556 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.895 -7.770 0.931 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.925 -6.890 1.261 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.806 -6.717 1.835 1.00 0.00 N ATOM 408 CE2 TRP A 28 2.039 -6.147 2.064 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.271 -6.559 1.266 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.486 -5.095 2.858 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.742 -5.500 2.061 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.847 -4.767 2.858 1.00 0.00 C ATOM 0 H TRP A 28 0.732 -7.250 -1.655 1.00 0.00 H new ATOM 0 HA TRP A 28 2.316 -9.597 -2.432 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.831 -9.881 0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.754 -8.622 -0.697 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.072 -8.378 0.586 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.061 -6.406 2.273 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.963 -7.119 0.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.790 -4.538 3.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.793 -5.250 2.059 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.208 -3.953 3.469 1.00 0.00 H new ATOM 423 N CYS A 29 0.770 -10.956 -0.806 1.00 0.00 N ATOM 424 CA CYS A 29 -0.405 -11.781 -0.409 1.00 0.00 C ATOM 425 C CYS A 29 -0.601 -11.725 1.110 1.00 0.00 C ATOM 426 O CYS A 29 0.266 -12.107 1.871 1.00 0.00 O ATOM 427 CB CYS A 29 -0.060 -13.197 -0.861 1.00 0.00 C ATOM 428 SG CYS A 29 -1.581 -14.101 -1.235 1.00 0.00 S ATOM 0 H CYS A 29 1.676 -11.413 -0.701 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.334 -11.428 -0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.581 -13.162 -1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.499 -13.713 -0.080 1.00 0.00 H new ATOM 433 N ASP A 30 -1.731 -11.245 1.556 1.00 0.00 N ATOM 434 CA ASP A 30 -1.979 -11.156 3.025 1.00 0.00 C ATOM 435 C ASP A 30 -2.835 -12.336 3.501 1.00 0.00 C ATOM 436 O ASP A 30 -2.325 -13.376 3.866 1.00 0.00 O ATOM 437 CB ASP A 30 -2.728 -9.835 3.217 1.00 0.00 C ATOM 438 CG ASP A 30 -3.381 -9.813 4.601 1.00 0.00 C ATOM 439 OD1 ASP A 30 -2.651 -9.816 5.579 1.00 0.00 O ATOM 440 OD2 ASP A 30 -4.599 -9.792 4.659 1.00 0.00 O ATOM 0 H ASP A 30 -2.493 -10.911 0.967 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.054 -11.192 3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.039 -8.996 3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.487 -9.720 2.443 1.00 0.00 H new ATOM 445 N ALA A 31 -4.133 -12.179 3.508 1.00 0.00 N ATOM 446 CA ALA A 31 -5.015 -13.292 3.971 1.00 0.00 C ATOM 447 C ALA A 31 -5.949 -13.745 2.843 1.00 0.00 C ATOM 448 O ALA A 31 -5.980 -14.903 2.479 1.00 0.00 O ATOM 449 CB ALA A 31 -5.820 -12.702 5.129 1.00 0.00 C ATOM 0 H ALA A 31 -4.619 -11.332 3.214 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.443 -14.169 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.495 -13.460 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.140 -12.374 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.400 -11.851 4.772 1.00 0.00 H new ATOM 455 N PHE A 32 -6.711 -12.842 2.287 1.00 0.00 N ATOM 456 CA PHE A 32 -7.640 -13.227 1.185 1.00 0.00 C ATOM 457 C PHE A 32 -7.019 -12.867 -0.166 1.00 0.00 C ATOM 458 O PHE A 32 -7.679 -12.857 -1.185 1.00 0.00 O ATOM 459 CB PHE A 32 -8.909 -12.410 1.428 1.00 0.00 C ATOM 460 CG PHE A 32 -10.015 -13.327 1.892 1.00 0.00 C ATOM 461 CD1 PHE A 32 -10.693 -14.128 0.966 1.00 0.00 C ATOM 462 CD2 PHE A 32 -10.361 -13.377 3.247 1.00 0.00 C ATOM 463 CE1 PHE A 32 -11.717 -14.980 1.395 1.00 0.00 C ATOM 464 CE2 PHE A 32 -11.386 -14.229 3.677 1.00 0.00 C ATOM 465 CZ PHE A 32 -12.064 -15.030 2.751 1.00 0.00 C ATOM 0 H PHE A 32 -6.731 -11.856 2.547 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.847 -14.297 1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.721 -11.641 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.206 -11.898 0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.426 -14.089 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.838 -12.759 3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.240 -15.599 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.653 -14.268 4.723 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.855 -15.687 3.082 1.00 0.00 H new ATOM 475 N CYS A 33 -5.751 -12.571 -0.171 1.00 0.00 N ATOM 476 CA CYS A 33 -5.064 -12.207 -1.444 1.00 0.00 C ATOM 477 C CYS A 33 -5.082 -13.384 -2.423 1.00 0.00 C ATOM 478 O CYS A 33 -5.056 -13.205 -3.624 1.00 0.00 O ATOM 479 CB CYS A 33 -3.629 -11.884 -1.032 1.00 0.00 C ATOM 480 SG CYS A 33 -2.965 -13.245 -0.040 1.00 0.00 S ATOM 0 H CYS A 33 -5.155 -12.565 0.657 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.551 -11.372 -1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.011 -11.730 -1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.604 -10.957 -0.460 1.00 0.00 H new ATOM 485 N SER A 34 -5.117 -14.585 -1.919 1.00 0.00 N ATOM 486 CA SER A 34 -5.127 -15.775 -2.821 1.00 0.00 C ATOM 487 C SER A 34 -6.460 -15.878 -3.571 1.00 0.00 C ATOM 488 O SER A 34 -6.654 -16.756 -4.388 1.00 0.00 O ATOM 489 CB SER A 34 -4.944 -16.973 -1.891 1.00 0.00 C ATOM 490 OG SER A 34 -6.220 -17.471 -1.511 1.00 0.00 O ATOM 0 H SER A 34 -5.139 -14.797 -0.921 1.00 0.00 H new ATOM 0 HA SER A 34 -4.347 -15.718 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.371 -17.753 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.378 -16.679 -1.007 1.00 0.00 H new ATOM 0 HG SER A 34 -6.107 -18.241 -0.915 1.00 0.00 H new ATOM 496 N SER A 35 -7.380 -14.992 -3.304 1.00 0.00 N ATOM 497 CA SER A 35 -8.694 -15.049 -4.007 1.00 0.00 C ATOM 498 C SER A 35 -8.751 -14.000 -5.122 1.00 0.00 C ATOM 499 O SER A 35 -9.318 -14.227 -6.172 1.00 0.00 O ATOM 500 CB SER A 35 -9.731 -14.741 -2.928 1.00 0.00 C ATOM 501 OG SER A 35 -9.221 -15.132 -1.660 1.00 0.00 O ATOM 0 H SER A 35 -7.280 -14.232 -2.631 1.00 0.00 H new ATOM 0 HA SER A 35 -8.867 -16.017 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.965 -13.676 -2.926 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.660 -15.271 -3.138 1.00 0.00 H new ATOM 0 HG SER A 35 -8.694 -14.399 -1.279 1.00 0.00 H new ATOM 507 N ARG A 36 -8.172 -12.851 -4.901 1.00 0.00 N ATOM 508 CA ARG A 36 -8.198 -11.788 -5.948 1.00 0.00 C ATOM 509 C ARG A 36 -6.772 -11.427 -6.376 1.00 0.00 C ATOM 510 O ARG A 36 -6.498 -11.206 -7.538 1.00 0.00 O ATOM 511 CB ARG A 36 -8.869 -10.589 -5.275 1.00 0.00 C ATOM 512 CG ARG A 36 -10.317 -10.940 -4.928 1.00 0.00 C ATOM 513 CD ARG A 36 -11.203 -10.735 -6.160 1.00 0.00 C ATOM 514 NE ARG A 36 -12.461 -11.472 -5.856 1.00 0.00 N ATOM 515 CZ ARG A 36 -13.538 -10.814 -5.523 1.00 0.00 C ATOM 516 NH1 ARG A 36 -13.814 -9.677 -6.102 1.00 0.00 N ATOM 517 NH2 ARG A 36 -14.339 -11.292 -4.610 1.00 0.00 N ATOM 0 H ARG A 36 -7.682 -12.602 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.728 -12.107 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.324 -10.314 -4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.843 -9.725 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.380 -11.974 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.667 -10.314 -4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.398 -9.677 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.725 -11.124 -7.059 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.481 -12.490 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.188 -9.303 -6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.656 -9.163 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.123 -12.180 -4.157 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.181 -10.778 -4.350 1.00 0.00 H new ATOM 531 N GLY A 37 -5.866 -11.363 -5.441 1.00 0.00 N ATOM 532 CA GLY A 37 -4.459 -11.013 -5.782 1.00 0.00 C ATOM 533 C GLY A 37 -3.744 -10.558 -4.512 1.00 0.00 C ATOM 534 O GLY A 37 -4.161 -10.868 -3.417 1.00 0.00 O ATOM 0 H GLY A 37 -6.040 -11.539 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.950 -11.875 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.438 -10.222 -6.531 1.00 0.00 H new ATOM 538 N LYS A 38 -2.686 -9.808 -4.637 1.00 0.00 N ATOM 539 CA LYS A 38 -1.977 -9.328 -3.428 1.00 0.00 C ATOM 540 C LYS A 38 -2.568 -7.970 -3.036 1.00 0.00 C ATOM 541 O LYS A 38 -3.183 -7.303 -3.844 1.00 0.00 O ATOM 542 CB LYS A 38 -0.509 -9.207 -3.858 1.00 0.00 C ATOM 543 CG LYS A 38 0.146 -10.589 -3.846 1.00 0.00 C ATOM 544 CD LYS A 38 0.273 -11.109 -5.279 1.00 0.00 C ATOM 545 CE LYS A 38 1.750 -11.146 -5.680 1.00 0.00 C ATOM 546 NZ LYS A 38 2.363 -12.170 -4.790 1.00 0.00 N ATOM 0 H LYS A 38 -2.284 -9.509 -5.526 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.072 -9.987 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.447 -8.773 -4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.023 -8.535 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.130 -10.532 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.450 -11.280 -3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.160 -12.106 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.284 -10.467 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.868 -11.414 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.221 -10.172 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.095 -12.692 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.793 -11.702 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.630 -12.833 -4.467 1.00 0.00 H new ATOM 560 N VAL A 39 -2.401 -7.549 -1.817 1.00 0.00 N ATOM 561 CA VAL A 39 -2.969 -6.237 -1.413 1.00 0.00 C ATOM 562 C VAL A 39 -2.227 -5.128 -2.162 1.00 0.00 C ATOM 563 O VAL A 39 -1.849 -5.279 -3.307 1.00 0.00 O ATOM 564 CB VAL A 39 -2.710 -6.121 0.104 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.707 -5.145 0.731 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.867 -7.484 0.786 1.00 0.00 C ATOM 0 H VAL A 39 -1.899 -8.053 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.032 -6.152 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.691 -5.760 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.517 -5.069 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.593 -4.163 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.722 -5.507 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.680 -7.380 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.880 -7.855 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.153 -8.189 0.360 1.00 0.00 H new ATOM 576 N VAL A 40 -2.001 -4.030 -1.514 1.00 0.00 N ATOM 577 CA VAL A 40 -1.272 -2.900 -2.135 1.00 0.00 C ATOM 578 C VAL A 40 -0.859 -1.999 -0.995 1.00 0.00 C ATOM 579 O VAL A 40 -1.610 -1.155 -0.547 1.00 0.00 O ATOM 580 CB VAL A 40 -2.264 -2.203 -3.054 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.732 -0.813 -3.387 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.412 -3.005 -4.347 1.00 0.00 C ATOM 0 H VAL A 40 -2.299 -3.863 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.394 -3.194 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.233 -2.126 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.435 -0.303 -4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.614 -0.239 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.767 -0.903 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.123 -2.506 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.445 -3.076 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.774 -4.006 -4.115 1.00 0.00 H new ATOM 592 N GLU A 41 0.296 -2.225 -0.470 1.00 0.00 N ATOM 593 CA GLU A 41 0.717 -1.441 0.705 1.00 0.00 C ATOM 594 C GLU A 41 1.829 -0.439 0.377 1.00 0.00 C ATOM 595 O GLU A 41 2.992 -0.673 0.638 1.00 0.00 O ATOM 596 CB GLU A 41 1.182 -2.504 1.689 1.00 0.00 C ATOM 597 CG GLU A 41 0.099 -3.581 1.803 1.00 0.00 C ATOM 598 CD GLU A 41 -0.370 -3.682 3.256 1.00 0.00 C ATOM 599 OE1 GLU A 41 -0.626 -2.647 3.849 1.00 0.00 O ATOM 600 OE2 GLU A 41 -0.466 -4.794 3.750 1.00 0.00 O ATOM 0 H GLU A 41 0.968 -2.917 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.087 -0.819 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.119 -2.946 1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.373 -2.057 2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.742 -3.336 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.490 -4.542 1.468 1.00 0.00 H new ATOM 607 N LEU A 42 1.468 0.690 -0.174 1.00 0.00 N ATOM 608 CA LEU A 42 2.483 1.731 -0.496 1.00 0.00 C ATOM 609 C LEU A 42 2.921 2.434 0.791 1.00 0.00 C ATOM 610 O LEU A 42 2.447 2.128 1.867 1.00 0.00 O ATOM 611 CB LEU A 42 1.764 2.735 -1.404 1.00 0.00 C ATOM 612 CG LEU A 42 0.832 2.015 -2.376 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.611 2.178 -1.905 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.980 2.643 -3.760 1.00 0.00 C ATOM 0 H LEU A 42 0.508 0.935 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 42 3.367 1.306 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.192 3.437 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.497 3.319 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 42 1.087 0.956 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.280 1.665 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.720 1.748 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.866 3.237 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.318 2.136 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.716 3.699 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.012 2.543 -4.097 1.00 0.00 H new ATOM 626 N GLY A 43 3.807 3.387 0.690 1.00 0.00 N ATOM 627 CA GLY A 43 4.249 4.118 1.921 1.00 0.00 C ATOM 628 C GLY A 43 5.550 4.887 1.650 1.00 0.00 C ATOM 629 O GLY A 43 5.691 5.542 0.640 1.00 0.00 O ATOM 0 H GLY A 43 4.243 3.692 -0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.470 4.810 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.400 3.411 2.737 1.00 0.00 H new ATOM 633 N CYS A 44 6.495 4.833 2.554 1.00 0.00 N ATOM 634 CA CYS A 44 7.770 5.575 2.349 1.00 0.00 C ATOM 635 C CYS A 44 8.950 4.605 2.230 1.00 0.00 C ATOM 636 O CYS A 44 8.888 3.476 2.674 1.00 0.00 O ATOM 637 CB CYS A 44 7.932 6.420 3.606 1.00 0.00 C ATOM 638 SG CYS A 44 6.376 7.251 4.007 1.00 0.00 S ATOM 0 H CYS A 44 6.436 4.306 3.425 1.00 0.00 H new ATOM 0 HA CYS A 44 7.749 6.170 1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.241 5.789 4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.719 7.159 3.457 1.00 0.00 H new ATOM 643 N ALA A 45 10.029 5.046 1.643 1.00 0.00 N ATOM 644 CA ALA A 45 11.218 4.172 1.501 1.00 0.00 C ATOM 645 C ALA A 45 12.401 4.990 0.984 1.00 0.00 C ATOM 646 O ALA A 45 12.241 5.895 0.189 1.00 0.00 O ATOM 647 CB ALA A 45 10.813 3.097 0.493 1.00 0.00 C ATOM 0 H ALA A 45 10.134 5.983 1.254 1.00 0.00 H new ATOM 0 HA ALA A 45 11.526 3.729 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.646 2.412 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.955 2.544 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.548 3.567 -0.454 1.00 0.00 H new ATOM 653 N ALA A 46 13.587 4.685 1.429 1.00 0.00 N ATOM 654 CA ALA A 46 14.771 5.456 0.962 1.00 0.00 C ATOM 655 C ALA A 46 14.811 5.487 -0.568 1.00 0.00 C ATOM 656 O ALA A 46 15.110 6.496 -1.173 1.00 0.00 O ATOM 657 CB ALA A 46 15.980 4.704 1.518 1.00 0.00 C ATOM 0 H ALA A 46 13.787 3.938 2.094 1.00 0.00 H new ATOM 0 HA ALA A 46 14.749 6.492 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.895 5.213 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.923 4.677 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.985 3.686 1.129 1.00 0.00 H new ATOM 663 N THR A 47 14.510 4.386 -1.197 1.00 0.00 N ATOM 664 CA THR A 47 14.527 4.347 -2.686 1.00 0.00 C ATOM 665 C THR A 47 13.907 3.037 -3.171 1.00 0.00 C ATOM 666 O THR A 47 13.771 2.095 -2.417 1.00 0.00 O ATOM 667 CB THR A 47 16.005 4.419 -3.072 1.00 0.00 C ATOM 668 OG1 THR A 47 16.121 4.463 -4.487 1.00 0.00 O ATOM 669 CG2 THR A 47 16.736 3.187 -2.537 1.00 0.00 C ATOM 0 H THR A 47 14.252 3.509 -0.744 1.00 0.00 H new ATOM 0 HA THR A 47 13.956 5.161 -3.133 1.00 0.00 H new ATOM 0 HB THR A 47 16.449 5.317 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.068 4.511 -4.736 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.789 3.240 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.647 3.154 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.294 2.287 -2.965 1.00 0.00 H new ATOM 677 N CYS A 48 13.531 2.969 -4.420 1.00 0.00 N ATOM 678 CA CYS A 48 12.920 1.712 -4.943 1.00 0.00 C ATOM 679 C CYS A 48 13.675 0.495 -4.397 1.00 0.00 C ATOM 680 O CYS A 48 14.737 0.156 -4.880 1.00 0.00 O ATOM 681 CB CYS A 48 13.068 1.797 -6.464 1.00 0.00 C ATOM 682 SG CYS A 48 12.298 3.320 -7.075 1.00 0.00 S ATOM 0 H CYS A 48 13.620 3.726 -5.098 1.00 0.00 H new ATOM 0 HA CYS A 48 11.878 1.604 -4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.123 1.778 -6.737 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.602 0.930 -6.932 1.00 0.00 H new ATOM 687 N PRO A 49 13.099 -0.115 -3.397 1.00 0.00 N ATOM 688 CA PRO A 49 13.727 -1.300 -2.767 1.00 0.00 C ATOM 689 C PRO A 49 13.549 -2.538 -3.650 1.00 0.00 C ATOM 690 O PRO A 49 14.233 -3.529 -3.491 1.00 0.00 O ATOM 691 CB PRO A 49 12.970 -1.449 -1.451 1.00 0.00 C ATOM 692 CG PRO A 49 11.642 -0.794 -1.679 1.00 0.00 C ATOM 693 CD PRO A 49 11.822 0.237 -2.767 1.00 0.00 C ATOM 0 HA PRO A 49 14.802 -1.190 -2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.849 -2.499 -1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.508 -0.972 -0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.896 -1.533 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.284 -0.325 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.003 0.204 -3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.846 1.247 -2.357 1.00 0.00 H new ATOM 701 N SER A 50 12.640 -2.488 -4.584 1.00 0.00 N ATOM 702 CA SER A 50 12.426 -3.660 -5.480 1.00 0.00 C ATOM 703 C SER A 50 11.926 -4.864 -4.677 1.00 0.00 C ATOM 704 O SER A 50 11.146 -4.729 -3.754 1.00 0.00 O ATOM 705 CB SER A 50 13.800 -3.953 -6.082 1.00 0.00 C ATOM 706 OG SER A 50 13.645 -4.341 -7.441 1.00 0.00 O ATOM 0 H SER A 50 12.036 -1.687 -4.766 1.00 0.00 H new ATOM 0 HA SER A 50 11.677 -3.459 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.435 -3.070 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.295 -4.745 -5.520 1.00 0.00 H new ATOM 0 HG SER A 50 14.525 -4.528 -7.830 1.00 0.00 H new ATOM 712 N LYS A 51 12.368 -6.042 -5.024 1.00 0.00 N ATOM 713 CA LYS A 51 11.918 -7.258 -4.285 1.00 0.00 C ATOM 714 C LYS A 51 13.114 -8.162 -3.975 1.00 0.00 C ATOM 715 O LYS A 51 13.853 -8.552 -4.856 1.00 0.00 O ATOM 716 CB LYS A 51 10.951 -7.962 -5.238 1.00 0.00 C ATOM 717 CG LYS A 51 11.544 -7.981 -6.649 1.00 0.00 C ATOM 718 CD LYS A 51 10.522 -8.567 -7.626 1.00 0.00 C ATOM 719 CE LYS A 51 10.573 -7.792 -8.944 1.00 0.00 C ATOM 720 NZ LYS A 51 11.870 -8.176 -9.566 1.00 0.00 N ATOM 0 H LYS A 51 13.022 -6.216 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 51 11.449 -7.012 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.765 -8.980 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.990 -7.447 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.816 -6.971 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.458 -8.575 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.735 -9.621 -7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.521 -8.512 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.734 -8.053 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.521 -6.717 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.871 -7.897 -10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.648 -7.694 -9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.999 -9.205 -9.493 1.00 0.00 H new ATOM 734 N LYS A 52 13.314 -8.498 -2.728 1.00 0.00 N ATOM 735 CA LYS A 52 14.467 -9.375 -2.374 1.00 0.00 C ATOM 736 C LYS A 52 14.023 -10.840 -2.256 1.00 0.00 C ATOM 737 O LYS A 52 14.486 -11.680 -3.000 1.00 0.00 O ATOM 738 CB LYS A 52 14.978 -8.849 -1.033 1.00 0.00 C ATOM 739 CG LYS A 52 16.366 -8.234 -1.223 1.00 0.00 C ATOM 740 CD LYS A 52 16.824 -7.590 0.086 1.00 0.00 C ATOM 741 CE LYS A 52 17.461 -6.230 -0.208 1.00 0.00 C ATOM 742 NZ LYS A 52 16.600 -5.241 0.498 1.00 0.00 N ATOM 0 H LYS A 52 12.732 -8.205 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 52 15.244 -9.352 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.289 -8.103 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.024 -9.660 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.076 -9.002 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.339 -7.488 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.976 -7.468 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.541 -8.238 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.488 -6.189 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.493 -6.032 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.973 -4.283 0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.630 -5.299 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.595 -5.450 1.517 1.00 0.00 H new ATOM 756 N PRO A 53 13.141 -11.109 -1.322 1.00 0.00 N ATOM 757 CA PRO A 53 12.657 -12.495 -1.129 1.00 0.00 C ATOM 758 C PRO A 53 11.633 -12.865 -2.207 1.00 0.00 C ATOM 759 O PRO A 53 11.973 -13.387 -3.250 1.00 0.00 O ATOM 760 CB PRO A 53 12.004 -12.460 0.248 1.00 0.00 C ATOM 761 CG PRO A 53 11.606 -11.033 0.461 1.00 0.00 C ATOM 762 CD PRO A 53 12.520 -10.172 -0.374 1.00 0.00 C ATOM 0 HA PRO A 53 13.453 -13.237 -1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.138 -13.120 0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.697 -12.795 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.566 -10.879 0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.687 -10.767 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.965 -9.391 -0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.270 -9.675 0.242 1.00 0.00 H new ATOM 770 N TYR A 54 10.379 -12.608 -1.954 1.00 0.00 N ATOM 771 CA TYR A 54 9.321 -12.953 -2.953 1.00 0.00 C ATOM 772 C TYR A 54 8.257 -11.851 -3.011 1.00 0.00 C ATOM 773 O TYR A 54 7.278 -11.962 -3.721 1.00 0.00 O ATOM 774 CB TYR A 54 8.696 -14.273 -2.464 1.00 0.00 C ATOM 775 CG TYR A 54 8.852 -14.400 -0.964 1.00 0.00 C ATOM 776 CD1 TYR A 54 8.395 -13.377 -0.126 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.472 -15.529 -0.417 1.00 0.00 C ATOM 778 CE1 TYR A 54 8.556 -13.483 1.259 1.00 0.00 C ATOM 779 CE2 TYR A 54 9.630 -15.637 0.969 1.00 0.00 C ATOM 780 CZ TYR A 54 9.173 -14.614 1.808 1.00 0.00 C ATOM 781 OH TYR A 54 9.332 -14.719 3.174 1.00 0.00 O ATOM 0 H TYR A 54 10.038 -12.173 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 54 9.736 -13.051 -3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.640 -14.305 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.176 -15.117 -2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.918 -12.505 -0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.828 -16.317 -1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.204 -12.692 1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.105 -16.510 1.392 1.00 0.00 H new ATOM 0 HH TYR A 54 9.777 -15.566 3.387 1.00 0.00 H new ATOM 791 N GLU A 55 8.438 -10.790 -2.273 1.00 0.00 N ATOM 792 CA GLU A 55 7.432 -9.689 -2.295 1.00 0.00 C ATOM 793 C GLU A 55 7.768 -8.697 -3.410 1.00 0.00 C ATOM 794 O GLU A 55 8.864 -8.688 -3.934 1.00 0.00 O ATOM 795 CB GLU A 55 7.545 -9.018 -0.925 1.00 0.00 C ATOM 796 CG GLU A 55 6.896 -9.909 0.137 1.00 0.00 C ATOM 797 CD GLU A 55 7.641 -9.745 1.463 1.00 0.00 C ATOM 798 OE1 GLU A 55 8.825 -9.454 1.422 1.00 0.00 O ATOM 799 OE2 GLU A 55 7.015 -9.914 2.496 1.00 0.00 O ATOM 0 H GLU A 55 9.237 -10.638 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 55 6.422 -10.053 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.593 -8.845 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.057 -8.043 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.847 -9.640 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.923 -10.951 -0.181 1.00 0.00 H new ATOM 806 N GLU A 56 6.837 -7.863 -3.779 1.00 0.00 N ATOM 807 CA GLU A 56 7.110 -6.875 -4.861 1.00 0.00 C ATOM 808 C GLU A 56 6.975 -5.449 -4.322 1.00 0.00 C ATOM 809 O GLU A 56 6.187 -5.183 -3.436 1.00 0.00 O ATOM 810 CB GLU A 56 6.048 -7.149 -5.926 1.00 0.00 C ATOM 811 CG GLU A 56 6.665 -7.965 -7.064 1.00 0.00 C ATOM 812 CD GLU A 56 6.565 -9.456 -6.737 1.00 0.00 C ATOM 813 OE1 GLU A 56 5.766 -9.803 -5.882 1.00 0.00 O ATOM 814 OE2 GLU A 56 7.288 -10.226 -7.348 1.00 0.00 O ATOM 0 H GLU A 56 5.900 -7.822 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 56 8.120 -6.969 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.210 -7.691 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.653 -6.209 -6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.148 -7.752 -8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.708 -7.682 -7.204 1.00 0.00 H new ATOM 821 N VAL A 57 7.738 -4.531 -4.848 1.00 0.00 N ATOM 822 CA VAL A 57 7.650 -3.124 -4.361 1.00 0.00 C ATOM 823 C VAL A 57 7.823 -2.147 -5.529 1.00 0.00 C ATOM 824 O VAL A 57 8.308 -2.504 -6.585 1.00 0.00 O ATOM 825 CB VAL A 57 8.798 -2.979 -3.362 1.00 0.00 C ATOM 826 CG1 VAL A 57 8.655 -1.655 -2.610 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.754 -4.137 -2.362 1.00 0.00 C ATOM 0 H VAL A 57 8.417 -4.693 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 57 6.685 -2.903 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 57 9.748 -2.995 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.473 -1.551 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.685 -0.828 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.705 -1.641 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.572 -4.034 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.804 -4.121 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.854 -5.082 -2.895 1.00 0.00 H new ATOM 837 N THR A 58 7.432 -0.914 -5.346 1.00 0.00 N ATOM 838 CA THR A 58 7.574 0.090 -6.438 1.00 0.00 C ATOM 839 C THR A 58 7.980 1.437 -5.842 1.00 0.00 C ATOM 840 O THR A 58 8.453 1.509 -4.726 1.00 0.00 O ATOM 841 CB THR A 58 6.189 0.180 -7.084 1.00 0.00 C ATOM 842 OG1 THR A 58 5.416 -0.950 -6.703 1.00 0.00 O ATOM 843 CG2 THR A 58 6.333 0.210 -8.606 1.00 0.00 C ATOM 0 H THR A 58 7.019 -0.559 -4.484 1.00 0.00 H new ATOM 0 HA THR A 58 8.337 -0.187 -7.166 1.00 0.00 H new ATOM 0 HB THR A 58 5.692 1.091 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.259 -0.928 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.346 0.274 -9.064 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.925 1.077 -8.898 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.831 -0.700 -8.942 1.00 0.00 H new ATOM 851 N CYS A 59 7.790 2.508 -6.561 1.00 0.00 N ATOM 852 CA CYS A 59 8.161 3.838 -6.004 1.00 0.00 C ATOM 853 C CYS A 59 7.102 4.879 -6.313 1.00 0.00 C ATOM 854 O CYS A 59 6.141 4.634 -7.016 1.00 0.00 O ATOM 855 CB CYS A 59 9.442 4.253 -6.703 1.00 0.00 C ATOM 856 SG CYS A 59 10.870 3.746 -5.712 1.00 0.00 S ATOM 0 H CYS A 59 7.397 2.521 -7.502 1.00 0.00 H new ATOM 0 HA CYS A 59 8.268 3.769 -4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.493 3.796 -7.691 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.454 5.333 -6.850 1.00 0.00 H new ATOM 861 N CYS A 60 7.306 6.055 -5.812 1.00 0.00 N ATOM 862 CA CYS A 60 6.358 7.162 -6.086 1.00 0.00 C ATOM 863 C CYS A 60 6.946 8.470 -5.545 1.00 0.00 C ATOM 864 O CYS A 60 7.190 8.609 -4.367 1.00 0.00 O ATOM 865 CB CYS A 60 5.042 6.738 -5.396 1.00 0.00 C ATOM 866 SG CYS A 60 4.250 8.106 -4.489 1.00 0.00 S ATOM 0 H CYS A 60 8.097 6.302 -5.217 1.00 0.00 H new ATOM 0 HA CYS A 60 6.174 7.342 -7.145 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.350 6.356 -6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.246 5.920 -4.705 1.00 0.00 H new ATOM 871 N SER A 61 7.190 9.427 -6.404 1.00 0.00 N ATOM 872 CA SER A 61 7.783 10.713 -5.932 1.00 0.00 C ATOM 873 C SER A 61 6.842 11.898 -6.194 1.00 0.00 C ATOM 874 O SER A 61 7.040 12.975 -5.669 1.00 0.00 O ATOM 875 CB SER A 61 9.066 10.870 -6.746 1.00 0.00 C ATOM 876 OG SER A 61 8.799 11.665 -7.894 1.00 0.00 O ATOM 0 H SER A 61 7.005 9.374 -7.406 1.00 0.00 H new ATOM 0 HA SER A 61 7.962 10.699 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.841 11.337 -6.138 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.442 9.892 -7.046 1.00 0.00 H new ATOM 0 HG SER A 61 9.621 11.769 -8.418 1.00 0.00 H new ATOM 882 N THR A 62 5.827 11.724 -7.000 1.00 0.00 N ATOM 883 CA THR A 62 4.904 12.865 -7.274 1.00 0.00 C ATOM 884 C THR A 62 3.994 13.113 -6.068 1.00 0.00 C ATOM 885 O THR A 62 3.960 12.338 -5.133 1.00 0.00 O ATOM 886 CB THR A 62 4.081 12.437 -8.492 1.00 0.00 C ATOM 887 OG1 THR A 62 4.790 11.443 -9.219 1.00 0.00 O ATOM 888 CG2 THR A 62 3.834 13.648 -9.393 1.00 0.00 C ATOM 0 H THR A 62 5.599 10.851 -7.476 1.00 0.00 H new ATOM 0 HA THR A 62 5.445 13.793 -7.459 1.00 0.00 H new ATOM 0 HB THR A 62 3.126 12.031 -8.159 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.262 11.168 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.248 13.343 -10.260 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.289 14.410 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.789 14.055 -9.725 1.00 0.00 H new ATOM 896 N ASP A 63 3.255 14.189 -6.078 1.00 0.00 N ATOM 897 CA ASP A 63 2.351 14.477 -4.928 1.00 0.00 C ATOM 898 C ASP A 63 1.366 13.321 -4.739 1.00 0.00 C ATOM 899 O ASP A 63 0.626 12.971 -5.637 1.00 0.00 O ATOM 900 CB ASP A 63 1.610 15.757 -5.315 1.00 0.00 C ATOM 901 CG ASP A 63 2.071 16.906 -4.416 1.00 0.00 C ATOM 902 OD1 ASP A 63 3.085 16.746 -3.757 1.00 0.00 O ATOM 903 OD2 ASP A 63 1.402 17.926 -4.403 1.00 0.00 O ATOM 0 H ASP A 63 3.238 14.879 -6.829 1.00 0.00 H new ATOM 0 HA ASP A 63 2.894 14.593 -3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.803 15.999 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.534 15.612 -5.214 1.00 0.00 H new ATOM 908 N LYS A 64 1.350 12.722 -3.580 1.00 0.00 N ATOM 909 CA LYS A 64 0.412 11.588 -3.345 1.00 0.00 C ATOM 910 C LYS A 64 0.408 10.641 -4.550 1.00 0.00 C ATOM 911 O LYS A 64 -0.628 10.335 -5.104 1.00 0.00 O ATOM 912 CB LYS A 64 -0.962 12.238 -3.175 1.00 0.00 C ATOM 913 CG LYS A 64 -0.916 13.240 -2.021 1.00 0.00 C ATOM 914 CD LYS A 64 -2.343 13.594 -1.596 1.00 0.00 C ATOM 915 CE LYS A 64 -2.302 14.464 -0.337 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.456 15.395 -0.477 1.00 0.00 N ATOM 0 H LYS A 64 1.944 12.968 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 64 0.696 10.995 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.253 12.742 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.715 11.475 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.369 12.816 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.383 14.140 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.852 14.125 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.912 12.685 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.390 13.858 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.361 15.009 -0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.496 16.025 0.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.341 15.963 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.338 14.848 -0.537 1.00 0.00 H new ATOM 930 N CYS A 65 1.557 10.165 -4.952 1.00 0.00 N ATOM 931 CA CYS A 65 1.602 9.220 -6.113 1.00 0.00 C ATOM 932 C CYS A 65 1.517 7.776 -5.614 1.00 0.00 C ATOM 933 O CYS A 65 1.840 6.842 -6.320 1.00 0.00 O ATOM 934 CB CYS A 65 2.921 9.463 -6.865 1.00 0.00 C ATOM 935 SG CYS A 65 4.304 9.698 -5.724 1.00 0.00 S ATOM 0 H CYS A 65 2.460 10.386 -4.533 1.00 0.00 H new ATOM 0 HA CYS A 65 0.758 9.389 -6.782 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.128 8.617 -7.520 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.821 10.342 -7.502 1.00 0.00 H new ATOM 940 N ASN A 66 1.083 7.590 -4.396 1.00 0.00 N ATOM 941 CA ASN A 66 0.974 6.214 -3.839 1.00 0.00 C ATOM 942 C ASN A 66 -0.471 5.651 -3.855 1.00 0.00 C ATOM 943 O ASN A 66 -0.714 4.632 -3.241 1.00 0.00 O ATOM 944 CB ASN A 66 1.448 6.369 -2.392 1.00 0.00 C ATOM 945 CG ASN A 66 2.742 5.587 -2.172 1.00 0.00 C ATOM 946 OD1 ASN A 66 3.000 5.118 -1.082 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.576 5.433 -3.161 1.00 0.00 N ATOM 0 H ASN A 66 0.799 8.336 -3.762 1.00 0.00 H new ATOM 0 HA ASN A 66 1.556 5.511 -4.434 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.609 7.423 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.678 6.010 -1.709 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.445 4.919 -3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.360 5.827 -4.077 1.00 0.00 H new ATOM 954 N PRO A 67 -1.400 6.312 -4.517 1.00 0.00 N ATOM 955 CA PRO A 67 -2.789 5.810 -4.525 1.00 0.00 C ATOM 956 C PRO A 67 -2.941 4.705 -5.563 1.00 0.00 C ATOM 957 O PRO A 67 -3.337 4.946 -6.686 1.00 0.00 O ATOM 958 CB PRO A 67 -3.616 7.031 -4.906 1.00 0.00 C ATOM 959 CG PRO A 67 -2.685 7.921 -5.668 1.00 0.00 C ATOM 960 CD PRO A 67 -1.270 7.541 -5.303 1.00 0.00 C ATOM 0 HA PRO A 67 -3.096 5.381 -3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.475 6.749 -5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.004 7.535 -4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.844 7.810 -6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.873 8.967 -5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.663 7.378 -6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.786 8.329 -4.727 1.00 0.00 H new ATOM 968 N HIS A 68 -2.628 3.494 -5.197 1.00 0.00 N ATOM 969 CA HIS A 68 -2.757 2.375 -6.165 1.00 0.00 C ATOM 970 C HIS A 68 -4.066 2.516 -6.940 1.00 0.00 C ATOM 971 O HIS A 68 -5.013 3.104 -6.456 1.00 0.00 O ATOM 972 CB HIS A 68 -2.741 1.108 -5.311 1.00 0.00 C ATOM 973 CG HIS A 68 -3.904 1.106 -4.363 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.870 0.108 -4.379 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.259 1.960 -3.349 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.752 0.385 -3.406 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.429 1.503 -2.745 1.00 0.00 N ATOM 0 H HIS A 68 -2.289 3.233 -4.271 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.957 2.358 -6.906 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.784 0.228 -5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.807 1.049 -4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.716 2.849 -3.063 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.618 -0.221 -3.183 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.931 1.929 -1.966 1.00 0.00 H new ATOM 985 N PRO A 69 -4.065 1.994 -8.131 1.00 0.00 N ATOM 986 CA PRO A 69 -5.250 2.083 -9.001 1.00 0.00 C ATOM 987 C PRO A 69 -6.210 0.934 -8.707 1.00 0.00 C ATOM 988 O PRO A 69 -6.189 -0.085 -9.370 1.00 0.00 O ATOM 989 CB PRO A 69 -4.660 1.960 -10.401 1.00 0.00 C ATOM 990 CG PRO A 69 -3.362 1.219 -10.235 1.00 0.00 C ATOM 991 CD PRO A 69 -2.971 1.267 -8.774 1.00 0.00 C ATOM 0 HA PRO A 69 -5.826 2.998 -8.863 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.336 1.421 -11.064 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.496 2.942 -10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.470 0.186 -10.566 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -2.585 1.671 -10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.861 0.265 -8.359 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.018 1.777 -8.634 1.00 0.00 H new ATOM 999 N LYS A 70 -7.050 1.076 -7.718 1.00 0.00 N ATOM 1000 CA LYS A 70 -7.990 -0.032 -7.408 1.00 0.00 C ATOM 1001 C LYS A 70 -9.301 0.480 -6.814 1.00 0.00 C ATOM 1002 O LYS A 70 -9.899 -0.159 -5.971 1.00 0.00 O ATOM 1003 CB LYS A 70 -7.253 -0.906 -6.401 1.00 0.00 C ATOM 1004 CG LYS A 70 -7.111 -2.311 -6.977 1.00 0.00 C ATOM 1005 CD LYS A 70 -8.474 -2.789 -7.487 1.00 0.00 C ATOM 1006 CE LYS A 70 -8.516 -2.727 -9.020 1.00 0.00 C ATOM 1007 NZ LYS A 70 -9.665 -1.829 -9.350 1.00 0.00 N ATOM 0 H LYS A 70 -7.124 1.899 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.267 -0.576 -8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.271 -0.486 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.800 -0.938 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.385 -2.311 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.736 -2.993 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.659 -3.810 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.266 -2.168 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.582 -2.335 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.657 -3.719 -9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.277 -2.292 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.213 -1.635 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.306 -0.934 -9.740 1.00 0.00 H new ATOM 1021 N GLN A 71 -9.763 1.612 -7.250 1.00 0.00 N ATOM 1022 CA GLN A 71 -11.040 2.141 -6.715 1.00 0.00 C ATOM 1023 C GLN A 71 -12.216 1.562 -7.504 1.00 0.00 C ATOM 1024 O GLN A 71 -13.048 2.284 -8.016 1.00 0.00 O ATOM 1025 CB GLN A 71 -10.937 3.647 -6.912 1.00 0.00 C ATOM 1026 CG GLN A 71 -10.957 4.325 -5.551 1.00 0.00 C ATOM 1027 CD GLN A 71 -9.719 5.204 -5.406 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -9.152 5.644 -6.386 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -9.272 5.481 -4.216 1.00 0.00 N ATOM 0 H GLN A 71 -9.311 2.195 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.207 1.877 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.018 3.896 -7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.766 4.005 -7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.859 4.928 -5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.980 3.576 -4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.748 5.111 -3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.445 6.068 -4.106 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.649 -3.235 2.261 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.165 -3.288 2.112 1.00 0.00 C ATOM 1106 C ARG B 2 -8.707 -2.465 0.915 1.00 0.00 C ATOM 1107 O ARG B 2 -9.445 -2.237 -0.023 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.830 -4.765 1.851 1.00 0.00 C ATOM 1109 CG ARG B 2 -8.286 -5.404 3.132 1.00 0.00 C ATOM 1110 CD ARG B 2 -6.757 -5.428 3.087 1.00 0.00 C ATOM 1111 NE ARG B 2 -6.379 -6.778 3.590 1.00 0.00 N ATOM 1112 CZ ARG B 2 -5.803 -6.903 4.755 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -4.573 -6.500 4.922 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -6.458 -7.430 5.754 1.00 0.00 N ATOM 0 HA ARG B 2 -8.672 -2.889 2.999 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.721 -5.297 1.518 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.093 -4.845 1.052 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.625 -4.842 4.002 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.672 -6.418 3.237 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.389 -5.267 2.074 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.331 -4.641 3.710 1.00 0.00 H new ATOM 0 HE ARG B 2 -6.570 -7.605 3.024 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.061 -6.087 4.142 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.123 -6.598 5.832 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.420 -7.744 5.624 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -6.008 -7.528 6.664 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.465 -2.085 0.913 1.00 0.00 N ATOM 1129 CA TYR B 3 -6.912 -1.353 -0.255 1.00 0.00 C ATOM 1130 C TYR B 3 -6.211 -2.416 -1.068 1.00 0.00 C ATOM 1131 O TYR B 3 -5.058 -2.304 -1.433 1.00 0.00 O ATOM 1132 CB TYR B 3 -5.901 -0.320 0.270 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.071 -0.124 1.755 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -6.975 0.827 2.242 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -5.327 -0.905 2.643 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -7.133 0.995 3.621 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -5.484 -0.736 4.020 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.385 0.212 4.508 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.537 0.372 5.863 1.00 0.00 O ATOM 0 H TYR B 3 -6.805 -2.250 1.673 1.00 0.00 H new ATOM 0 HA TYR B 3 -7.662 -0.827 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.886 -0.654 0.055 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.041 0.630 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -7.549 1.430 1.554 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -4.631 -1.639 2.265 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -7.830 1.727 4.001 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -4.909 -1.338 4.707 1.00 0.00 H new ATOM 0 HH TYR B 3 -7.472 0.585 6.064 1.00 0.00 H new ATOM 1149 N TYR B 4 -6.915 -3.487 -1.296 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.328 -4.629 -2.024 1.00 0.00 C ATOM 1151 C TYR B 4 -6.052 -4.269 -3.466 1.00 0.00 C ATOM 1152 O TYR B 4 -6.163 -3.136 -3.890 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.402 -5.717 -1.979 1.00 0.00 C ATOM 1154 CG TYR B 4 -6.910 -6.915 -1.204 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.185 -6.738 -0.022 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.191 -8.206 -1.667 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -5.738 -7.853 0.698 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.747 -9.320 -0.947 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.020 -9.144 0.236 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.582 -10.243 0.946 1.00 0.00 O ATOM 0 H TYR B 4 -7.883 -3.616 -1.003 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.382 -4.939 -1.579 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.307 -5.324 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.667 -6.016 -2.993 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -5.970 -5.742 0.336 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.751 -8.342 -2.581 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.176 -7.717 1.610 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.965 -10.316 -1.304 1.00 0.00 H new ATOM 0 HH TYR B 4 -5.833 -10.145 1.888 1.00 0.00 H new ATOM 1170 N GLU B 5 -5.704 -5.255 -4.212 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.415 -5.045 -5.659 1.00 0.00 C ATOM 1172 C GLU B 5 -6.686 -5.288 -6.479 1.00 0.00 C ATOM 1173 O GLU B 5 -6.717 -5.077 -7.675 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.335 -6.070 -6.001 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.268 -6.262 -7.519 1.00 0.00 C ATOM 1176 CD GLU B 5 -3.854 -4.948 -8.185 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -4.701 -4.078 -8.311 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -2.698 -4.834 -8.557 1.00 0.00 O ATOM 0 H GLU B 5 -5.602 -6.217 -3.888 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.084 -4.030 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.369 -5.734 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.554 -7.020 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -3.553 -7.047 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.238 -6.584 -7.898 1.00 0.00 H new ATOM 1185 N SER B 6 -7.739 -5.716 -5.836 1.00 0.00 N ATOM 1186 CA SER B 6 -9.018 -5.959 -6.562 1.00 0.00 C ATOM 1187 C SER B 6 -10.128 -5.101 -5.945 1.00 0.00 C ATOM 1188 O SER B 6 -11.300 -5.340 -6.158 1.00 0.00 O ATOM 1189 CB SER B 6 -9.313 -7.445 -6.363 1.00 0.00 C ATOM 1190 OG SER B 6 -9.293 -8.101 -7.624 1.00 0.00 O ATOM 0 H SER B 6 -7.768 -5.908 -4.835 1.00 0.00 H new ATOM 0 HA SER B 6 -8.957 -5.700 -7.619 1.00 0.00 H new ATOM 0 HB2 SER B 6 -8.572 -7.889 -5.698 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.286 -7.574 -5.888 1.00 0.00 H new ATOM 0 HG SER B 6 -10.111 -8.630 -7.731 1.00 0.00 H new ATOM 1196 N SER B 7 -9.760 -4.100 -5.178 1.00 0.00 N ATOM 1197 CA SER B 7 -10.783 -3.220 -4.532 1.00 0.00 C ATOM 1198 C SER B 7 -10.113 -2.334 -3.474 1.00 0.00 C ATOM 1199 O SER B 7 -9.348 -2.808 -2.657 1.00 0.00 O ATOM 1200 CB SER B 7 -11.779 -4.178 -3.863 1.00 0.00 C ATOM 1201 OG SER B 7 -11.724 -4.012 -2.451 1.00 0.00 O ATOM 0 H SER B 7 -8.791 -3.856 -4.972 1.00 0.00 H new ATOM 0 HA SER B 7 -11.272 -2.562 -5.251 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.788 -3.980 -4.224 1.00 0.00 H new ATOM 0 HB3 SER B 7 -11.542 -5.208 -4.128 1.00 0.00 H new ATOM 0 HG SER B 7 -12.361 -4.623 -2.025 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.394 -1.056 -3.466 1.00 0.00 N ATOM 1208 CA LEU B 8 -9.762 -0.177 -2.437 1.00 0.00 C ATOM 1209 C LEU B 8 -10.819 0.654 -1.700 1.00 0.00 C ATOM 1210 O LEU B 8 -10.568 1.180 -0.635 1.00 0.00 O ATOM 1211 CB LEU B 8 -8.762 0.706 -3.197 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.391 2.041 -3.597 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -9.429 2.974 -2.384 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.537 2.676 -4.693 1.00 0.00 C ATOM 0 H LEU B 8 -11.024 -0.588 -4.117 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.256 -0.757 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.886 0.887 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -8.416 0.183 -4.089 1.00 0.00 H new ATOM 0 HG LEU B 8 -10.406 1.878 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.878 3.925 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.022 2.517 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -8.414 3.145 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -8.974 3.630 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.527 2.841 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.500 2.011 -5.556 1.00 0.00 H new