USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 35 SER OG : rot 173:sc= -1.27 USER MOD Set 1.2: B 191 LYS NZ :NH3+ 158:sc= -0.0787 (180deg=-1.39!) USER MOD Set 2.1: A 34 SER OG : rot 167:sc= 0 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 157:sc= -3.33! (180deg=-4.56!) USER MOD Set 2.3: B 187 TYR OH : rot 30:sc= -0.279 USER MOD Single : A 1 ILE N :NH3+ 144:sc=-0.00384 (180deg=-0.199) USER MOD Single : A 4 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-7.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.121 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.00319 X(o=0.0032,f=0) 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 -125:sc= -3.39 (180deg=-7.92!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.162 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 61 SER OG : rot 56:sc= 1.18 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.36! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -11.1! C(o=-11!,f=-18!) USER MOD Single : A 68 HIS : no HE2:sc= -13.3! C(o=-13!,f=-17!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 183 THR OG1 : rot 180:sc= 0 USER MOD Single : B 185 SER OG : rot 1:sc= 1.08 USER MOD Single : B 194 TYR OH : rot -150:sc= 0.593! USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.961 13.819 -6.216 1.00 1.84 N ATOM 2 CA ILE A 1 -0.240 12.549 -5.946 1.00 1.28 C ATOM 3 C ILE A 1 -1.112 11.578 -5.156 1.00 1.18 C ATOM 4 O ILE A 1 -1.950 11.991 -4.356 1.00 1.52 O ATOM 5 CB ILE A 1 1.068 12.801 -5.170 1.00 1.23 C ATOM 6 CG1 ILE A 1 1.837 11.491 -4.977 1.00 1.40 C ATOM 7 CG2 ILE A 1 0.775 13.454 -3.826 1.00 1.76 C ATOM 8 CD1 ILE A 1 3.325 11.624 -5.206 1.00 1.67 C ATOM 0 H1 ILE A 1 -0.292 14.614 -6.171 1.00 1.84 H new ATOM 0 H2 ILE A 1 -1.390 13.780 -7.163 1.00 1.84 H new ATOM 0 H3 ILE A 1 -1.707 13.953 -5.504 1.00 1.84 H new ATOM 0 HA ILE A 1 0.000 12.109 -6.914 1.00 1.28 H new ATOM 0 HB ILE A 1 1.689 13.481 -5.753 1.00 1.23 H new ATOM 0 HG12 ILE A 1 1.665 11.124 -3.965 1.00 1.40 H new ATOM 0 HG13 ILE A 1 1.438 10.741 -5.660 1.00 1.40 H new ATOM 0 HG21 ILE A 1 1.710 13.624 -3.293 1.00 1.76 H new ATOM 0 HG22 ILE A 1 0.270 14.407 -3.987 1.00 1.76 H new ATOM 0 HG23 ILE A 1 0.134 12.799 -3.235 1.00 1.76 H new ATOM 0 HD11 ILE A 1 3.805 10.657 -5.052 1.00 1.67 H new ATOM 0 HD12 ILE A 1 3.507 11.961 -6.226 1.00 1.67 H new ATOM 0 HD13 ILE A 1 3.738 12.350 -4.505 1.00 1.67 H new ATOM 22 N VAL A 2 -0.902 10.287 -5.380 1.00 0.91 N ATOM 23 CA VAL A 2 -1.656 9.250 -4.685 1.00 0.84 C ATOM 24 C VAL A 2 -0.704 8.271 -4.020 1.00 0.73 C ATOM 25 O VAL A 2 0.471 8.205 -4.381 1.00 0.75 O ATOM 26 CB VAL A 2 -2.583 8.479 -5.647 1.00 0.97 C ATOM 27 CG1 VAL A 2 -3.595 7.653 -4.867 1.00 1.37 C ATOM 28 CG2 VAL A 2 -3.286 9.435 -6.600 1.00 1.66 C ATOM 0 H VAL A 2 -0.212 9.931 -6.041 1.00 0.91 H new ATOM 0 HA VAL A 2 -2.272 9.742 -3.933 1.00 0.84 H new ATOM 0 HB VAL A 2 -1.972 7.799 -6.240 1.00 0.97 H new ATOM 0 HG11 VAL A 2 -4.240 7.116 -5.563 1.00 1.37 H new ATOM 0 HG12 VAL A 2 -3.070 6.938 -4.233 1.00 1.37 H new ATOM 0 HG13 VAL A 2 -4.201 8.312 -4.245 1.00 1.37 H new ATOM 0 HG21 VAL A 2 -3.935 8.870 -7.269 1.00 1.66 H new ATOM 0 HG22 VAL A 2 -3.884 10.144 -6.028 1.00 1.66 H new ATOM 0 HG23 VAL A 2 -2.543 9.976 -7.186 1.00 1.66 H new ATOM 38 N CYS A 3 -1.193 7.510 -3.044 1.00 0.75 N ATOM 39 CA CYS A 3 -0.338 6.554 -2.360 1.00 0.76 C ATOM 40 C CYS A 3 -1.101 5.700 -1.357 1.00 0.74 C ATOM 41 O CYS A 3 -1.866 6.204 -0.530 1.00 0.79 O ATOM 42 CB CYS A 3 0.811 7.285 -1.667 1.00 0.86 C ATOM 43 SG CYS A 3 2.455 6.779 -2.260 1.00 1.18 S ATOM 0 H CYS A 3 -2.159 7.537 -2.716 1.00 0.75 H new ATOM 0 HA CYS A 3 0.059 5.877 -3.116 1.00 0.76 H new ATOM 0 HB2 CYS A 3 0.693 8.358 -1.819 1.00 0.86 H new ATOM 0 HB3 CYS A 3 0.750 7.107 -0.593 1.00 0.86 H new ATOM 48 N HIS A 4 -0.863 4.400 -1.435 1.00 1.00 N ATOM 49 CA HIS A 4 -1.492 3.450 -0.538 1.00 1.15 C ATOM 50 C HIS A 4 -1.070 3.751 0.903 1.00 1.39 C ATOM 51 O HIS A 4 -0.328 4.707 1.134 1.00 1.83 O ATOM 52 CB HIS A 4 -1.117 2.032 -0.960 1.00 1.50 C ATOM 53 CG HIS A 4 -1.738 1.643 -2.265 1.00 1.65 C ATOM 54 ND1 HIS A 4 -2.975 1.042 -2.356 1.00 2.53 N ATOM 55 CD2 HIS A 4 -1.300 1.793 -3.538 1.00 1.60 C ATOM 56 CE1 HIS A 4 -3.269 0.833 -3.626 1.00 3.06 C ATOM 57 NE2 HIS A 4 -2.272 1.280 -4.364 1.00 2.46 N ATOM 0 H HIS A 4 -0.233 3.978 -2.117 1.00 1.00 H new ATOM 0 HA HIS A 4 -2.577 3.538 -0.590 1.00 1.15 H new ATOM 0 HB2 HIS A 4 -0.033 1.954 -1.039 1.00 1.50 H new ATOM 0 HB3 HIS A 4 -1.432 1.330 -0.187 1.00 1.50 H new ATOM 0 HD2 HIS A 4 -0.363 2.233 -3.846 1.00 1.60 H new ATOM 0 HE1 HIS A 4 -4.173 0.374 -3.998 1.00 3.06 H new ATOM 0 HE2 HIS A 4 -2.229 1.250 -5.383 1.00 2.46 H new ATOM 66 N THR A 5 -1.547 2.977 1.877 1.00 1.34 N ATOM 67 CA THR A 5 -1.192 3.252 3.271 1.00 1.76 C ATOM 68 C THR A 5 -1.117 2.001 4.141 1.00 1.62 C ATOM 69 O THR A 5 -1.462 0.899 3.717 1.00 2.15 O ATOM 70 CB THR A 5 -2.201 4.216 3.893 1.00 2.22 C ATOM 71 OG1 THR A 5 -1.699 4.754 5.103 1.00 2.90 O ATOM 72 CG2 THR A 5 -3.535 3.563 4.196 1.00 2.13 C ATOM 0 H THR A 5 -2.163 2.176 1.736 1.00 1.34 H new ATOM 0 HA THR A 5 -0.195 3.692 3.241 1.00 1.76 H new ATOM 0 HB THR A 5 -2.356 4.999 3.150 1.00 2.22 H new ATOM 0 HG1 THR A 5 -2.358 5.370 5.485 1.00 2.90 H new ATOM 0 HG21 THR A 5 -4.209 4.298 4.636 1.00 2.13 H new ATOM 0 HG22 THR A 5 -3.970 3.179 3.273 1.00 2.13 H new ATOM 0 HG23 THR A 5 -3.387 2.741 4.897 1.00 2.13 H new ATOM 80 N THR A 6 -0.671 2.228 5.380 1.00 1.66 N ATOM 81 CA THR A 6 -0.525 1.194 6.410 1.00 2.10 C ATOM 82 C THR A 6 -0.556 -0.231 5.857 1.00 1.68 C ATOM 83 O THR A 6 0.495 -0.830 5.638 1.00 2.39 O ATOM 84 CB THR A 6 -1.601 1.370 7.490 1.00 2.95 C ATOM 85 OG1 THR A 6 -1.831 0.153 8.186 1.00 3.66 O ATOM 86 CG2 THR A 6 -2.931 1.862 6.951 1.00 3.19 C ATOM 0 H THR A 6 -0.395 3.156 5.702 1.00 1.66 H new ATOM 0 HA THR A 6 0.465 1.330 6.845 1.00 2.10 H new ATOM 0 HB THR A 6 -1.204 2.132 8.160 1.00 2.95 H new ATOM 0 HG1 THR A 6 -2.519 0.292 8.870 1.00 3.66 H new ATOM 0 HG21 THR A 6 -3.641 1.962 7.772 1.00 3.19 H new ATOM 0 HG22 THR A 6 -2.793 2.830 6.470 1.00 3.19 H new ATOM 0 HG23 THR A 6 -3.316 1.147 6.224 1.00 3.19 H new ATOM 94 N ALA A 7 -1.761 -0.774 5.651 1.00 1.08 N ATOM 95 CA ALA A 7 -1.916 -2.148 5.148 1.00 1.16 C ATOM 96 C ALA A 7 -3.289 -2.718 5.484 1.00 1.13 C ATOM 97 O ALA A 7 -3.429 -3.922 5.703 1.00 1.34 O ATOM 98 CB ALA A 7 -0.832 -3.058 5.723 1.00 1.59 C ATOM 0 H ALA A 7 -2.641 -0.288 5.823 1.00 1.08 H new ATOM 0 HA ALA A 7 -1.817 -2.107 4.063 1.00 1.16 H new ATOM 0 HB1 ALA A 7 -0.964 -4.069 5.339 1.00 1.59 H new ATOM 0 HB2 ALA A 7 0.149 -2.684 5.431 1.00 1.59 H new ATOM 0 HB3 ALA A 7 -0.906 -3.070 6.810 1.00 1.59 H new ATOM 104 N THR A 8 -4.309 -1.868 5.509 1.00 1.25 N ATOM 105 CA THR A 8 -5.654 -2.332 5.803 1.00 1.44 C ATOM 106 C THR A 8 -6.067 -3.379 4.776 1.00 1.50 C ATOM 107 O THR A 8 -5.755 -3.247 3.594 1.00 2.19 O ATOM 108 CB THR A 8 -6.642 -1.165 5.796 1.00 1.67 C ATOM 109 OG1 THR A 8 -6.771 -0.621 4.495 1.00 2.24 O ATOM 110 CG2 THR A 8 -6.243 -0.041 6.728 1.00 2.08 C ATOM 0 H THR A 8 -4.230 -0.867 5.331 1.00 1.25 H new ATOM 0 HA THR A 8 -5.664 -2.778 6.797 1.00 1.44 H new ATOM 0 HB THR A 8 -7.587 -1.585 6.141 1.00 1.67 H new ATOM 0 HG1 THR A 8 -7.409 0.123 4.513 1.00 2.24 H new ATOM 0 HG21 THR A 8 -6.985 0.756 6.676 1.00 2.08 H new ATOM 0 HG22 THR A 8 -6.186 -0.418 7.749 1.00 2.08 H new ATOM 0 HG23 THR A 8 -5.270 0.350 6.431 1.00 2.08 H new ATOM 118 N SER A 9 -6.753 -4.425 5.229 1.00 1.21 N ATOM 119 CA SER A 9 -7.187 -5.497 4.335 1.00 1.26 C ATOM 120 C SER A 9 -7.739 -4.931 3.028 1.00 1.26 C ATOM 121 O SER A 9 -7.326 -5.348 1.946 1.00 1.68 O ATOM 122 CB SER A 9 -8.210 -6.393 5.030 1.00 1.48 C ATOM 123 OG SER A 9 -8.990 -7.111 4.091 1.00 1.90 O ATOM 0 H SER A 9 -7.020 -4.554 6.205 1.00 1.21 H new ATOM 0 HA SER A 9 -6.319 -6.108 4.086 1.00 1.26 H new ATOM 0 HB2 SER A 9 -7.695 -7.093 5.689 1.00 1.48 H new ATOM 0 HB3 SER A 9 -8.862 -5.785 5.658 1.00 1.48 H new ATOM 0 HG SER A 9 -9.634 -7.677 4.565 1.00 1.90 H new ATOM 129 N PRO A 10 -8.650 -3.949 3.102 1.00 1.28 N ATOM 130 CA PRO A 10 -9.212 -3.311 1.919 1.00 1.45 C ATOM 131 C PRO A 10 -8.336 -2.163 1.436 1.00 1.28 C ATOM 132 O PRO A 10 -8.833 -1.118 1.015 1.00 1.62 O ATOM 133 CB PRO A 10 -10.531 -2.769 2.419 1.00 1.78 C ATOM 134 CG PRO A 10 -10.305 -2.460 3.864 1.00 2.09 C ATOM 135 CD PRO A 10 -9.189 -3.361 4.341 1.00 1.74 C ATOM 0 HA PRO A 10 -9.302 -3.998 1.078 1.00 1.45 H new ATOM 0 HB2 PRO A 10 -10.825 -1.876 1.867 1.00 1.78 H new ATOM 0 HB3 PRO A 10 -11.330 -3.499 2.293 1.00 1.78 H new ATOM 0 HG2 PRO A 10 -10.037 -1.412 3.997 1.00 2.09 H new ATOM 0 HG3 PRO A 10 -11.213 -2.633 4.442 1.00 2.09 H new ATOM 0 HD2 PRO A 10 -8.426 -2.800 4.881 1.00 1.74 H new ATOM 0 HD3 PRO A 10 -9.559 -4.130 5.019 1.00 1.74 H new ATOM 143 N ILE A 11 -7.031 -2.373 1.532 1.00 1.07 N ATOM 144 CA ILE A 11 -6.020 -1.384 1.145 1.00 1.06 C ATOM 145 C ILE A 11 -6.525 -0.406 0.077 1.00 1.20 C ATOM 146 O ILE A 11 -7.250 -0.786 -0.843 1.00 1.48 O ATOM 147 CB ILE A 11 -4.725 -2.077 0.659 1.00 1.22 C ATOM 148 CG1 ILE A 11 -3.743 -2.220 1.823 1.00 1.28 C ATOM 149 CG2 ILE A 11 -4.074 -1.308 -0.484 1.00 1.71 C ATOM 150 CD1 ILE A 11 -3.278 -3.638 2.048 1.00 1.20 C ATOM 0 H ILE A 11 -6.634 -3.244 1.884 1.00 1.07 H new ATOM 0 HA ILE A 11 -5.802 -0.802 2.041 1.00 1.06 H new ATOM 0 HB ILE A 11 -4.992 -3.065 0.285 1.00 1.22 H new ATOM 0 HG12 ILE A 11 -2.876 -1.587 1.636 1.00 1.28 H new ATOM 0 HG13 ILE A 11 -4.215 -1.852 2.734 1.00 1.28 H new ATOM 0 HG21 ILE A 11 -3.167 -1.824 -0.800 1.00 1.71 H new ATOM 0 HG22 ILE A 11 -4.767 -1.247 -1.323 1.00 1.71 H new ATOM 0 HG23 ILE A 11 -3.821 -0.302 -0.148 1.00 1.71 H new ATOM 0 HD11 ILE A 11 -2.584 -3.664 2.888 1.00 1.20 H new ATOM 0 HD12 ILE A 11 -4.137 -4.272 2.267 1.00 1.20 H new ATOM 0 HD13 ILE A 11 -2.776 -4.003 1.152 1.00 1.20 H new ATOM 162 N SER A 12 -6.121 0.854 0.215 1.00 1.20 N ATOM 163 CA SER A 12 -6.510 1.905 -0.719 1.00 1.43 C ATOM 164 C SER A 12 -5.740 3.189 -0.423 1.00 1.63 C ATOM 165 O SER A 12 -4.907 3.626 -1.220 1.00 2.44 O ATOM 166 CB SER A 12 -8.015 2.164 -0.635 1.00 1.77 C ATOM 167 OG SER A 12 -8.440 2.279 0.712 1.00 2.15 O ATOM 0 H SER A 12 -5.518 1.173 0.973 1.00 1.20 H new ATOM 0 HA SER A 12 -6.268 1.575 -1.729 1.00 1.43 H new ATOM 0 HB2 SER A 12 -8.260 3.078 -1.176 1.00 1.77 H new ATOM 0 HB3 SER A 12 -8.554 1.351 -1.121 1.00 1.77 H new ATOM 0 HG SER A 12 -9.405 2.446 0.737 1.00 2.15 H new ATOM 173 N ALA A 13 -6.013 3.781 0.738 1.00 1.65 N ATOM 174 CA ALA A 13 -5.338 5.005 1.161 1.00 2.14 C ATOM 175 C ALA A 13 -5.650 6.183 0.240 1.00 1.82 C ATOM 176 O ALA A 13 -6.685 6.205 -0.426 1.00 2.37 O ATOM 177 CB ALA A 13 -3.843 4.772 1.237 1.00 2.97 C ATOM 0 H ALA A 13 -6.700 3.430 1.405 1.00 1.65 H new ATOM 0 HA ALA A 13 -5.714 5.264 2.151 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -3.347 5.690 1.553 1.00 2.97 H new ATOM 0 HB2 ALA A 13 -3.634 3.980 1.957 1.00 2.97 H new ATOM 0 HB3 ALA A 13 -3.470 4.478 0.256 1.00 2.97 H new ATOM 183 N VAL A 14 -4.749 7.171 0.217 1.00 1.28 N ATOM 184 CA VAL A 14 -4.934 8.363 -0.613 1.00 1.35 C ATOM 185 C VAL A 14 -3.595 9.067 -0.882 1.00 1.06 C ATOM 186 O VAL A 14 -2.545 8.426 -0.907 1.00 1.09 O ATOM 187 CB VAL A 14 -5.924 9.367 0.037 1.00 2.08 C ATOM 188 CG1 VAL A 14 -6.808 10.000 -1.026 1.00 2.82 C ATOM 189 CG2 VAL A 14 -6.776 8.699 1.108 1.00 2.60 C ATOM 0 H VAL A 14 -3.887 7.168 0.763 1.00 1.28 H new ATOM 0 HA VAL A 14 -5.355 8.023 -1.559 1.00 1.35 H new ATOM 0 HB VAL A 14 -5.337 10.148 0.521 1.00 2.08 H new ATOM 0 HG11 VAL A 14 -7.497 10.702 -0.556 1.00 2.82 H new ATOM 0 HG12 VAL A 14 -6.186 10.530 -1.748 1.00 2.82 H new ATOM 0 HG13 VAL A 14 -7.375 9.222 -1.538 1.00 2.82 H new ATOM 0 HG21 VAL A 14 -7.457 9.432 1.541 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -7.352 7.888 0.662 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -6.130 8.298 1.889 1.00 2.60 H new ATOM 199 N THR A 15 -3.638 10.385 -1.096 1.00 1.36 N ATOM 200 CA THR A 15 -2.436 11.172 -1.375 1.00 1.37 C ATOM 201 C THR A 15 -1.322 10.899 -0.363 1.00 1.15 C ATOM 202 O THR A 15 -1.464 10.066 0.531 1.00 1.63 O ATOM 203 CB THR A 15 -2.778 12.663 -1.356 1.00 1.93 C ATOM 204 OG1 THR A 15 -3.528 12.990 -0.199 1.00 2.45 O ATOM 205 CG2 THR A 15 -3.578 13.112 -2.558 1.00 2.47 C ATOM 0 H THR A 15 -4.499 10.931 -1.081 1.00 1.36 H new ATOM 0 HA THR A 15 -2.075 10.877 -2.360 1.00 1.37 H new ATOM 0 HB THR A 15 -1.817 13.177 -1.367 1.00 1.93 H new ATOM 0 HG1 THR A 15 -3.736 13.948 -0.204 1.00 2.45 H new ATOM 0 HG21 THR A 15 -3.785 14.179 -2.479 1.00 2.47 H new ATOM 0 HG22 THR A 15 -3.008 12.919 -3.467 1.00 2.47 H new ATOM 0 HG23 THR A 15 -4.518 12.562 -2.596 1.00 2.47 H new ATOM 213 N CYS A 16 -0.217 11.629 -0.515 1.00 1.00 N ATOM 214 CA CYS A 16 0.932 11.497 0.380 1.00 0.91 C ATOM 215 C CYS A 16 1.349 12.868 0.920 1.00 1.05 C ATOM 216 O CYS A 16 2.438 13.351 0.611 1.00 1.59 O ATOM 217 CB CYS A 16 2.121 10.870 -0.360 1.00 1.11 C ATOM 218 SG CYS A 16 2.407 9.118 0.033 1.00 1.82 S ATOM 0 H CYS A 16 -0.094 12.321 -1.254 1.00 1.00 H new ATOM 0 HA CYS A 16 0.640 10.852 1.209 1.00 0.91 H new ATOM 0 HB2 CYS A 16 1.958 10.968 -1.433 1.00 1.11 H new ATOM 0 HB3 CYS A 16 3.022 11.436 -0.121 1.00 1.11 H new ATOM 223 N PRO A 17 0.489 13.545 1.708 1.00 1.33 N ATOM 224 CA PRO A 17 0.787 14.867 2.235 1.00 1.72 C ATOM 225 C PRO A 17 1.215 14.927 3.710 1.00 1.75 C ATOM 226 O PRO A 17 0.827 15.850 4.428 1.00 2.05 O ATOM 227 CB PRO A 17 -0.560 15.553 2.050 1.00 2.51 C ATOM 228 CG PRO A 17 -1.575 14.463 2.279 1.00 2.77 C ATOM 229 CD PRO A 17 -0.858 13.135 2.108 1.00 2.00 C ATOM 0 HA PRO A 17 1.646 15.311 1.731 1.00 1.72 H new ATOM 0 HB2 PRO A 17 -0.689 16.371 2.759 1.00 2.51 H new ATOM 0 HB3 PRO A 17 -0.654 15.979 1.051 1.00 2.51 H new ATOM 0 HG2 PRO A 17 -2.005 14.542 3.278 1.00 2.77 H new ATOM 0 HG3 PRO A 17 -2.398 14.549 1.570 1.00 2.77 H new ATOM 0 HD2 PRO A 17 -0.848 12.558 3.033 1.00 2.00 H new ATOM 0 HD3 PRO A 17 -1.334 12.513 1.350 1.00 2.00 H new ATOM 237 N PRO A 18 2.032 13.975 4.185 1.00 2.25 N ATOM 238 CA PRO A 18 2.519 13.948 5.556 1.00 2.90 C ATOM 239 C PRO A 18 3.926 14.532 5.663 1.00 2.81 C ATOM 240 O PRO A 18 4.595 14.387 6.687 1.00 3.40 O ATOM 241 CB PRO A 18 2.564 12.451 5.815 1.00 3.70 C ATOM 242 CG PRO A 18 3.043 11.889 4.514 1.00 3.66 C ATOM 243 CD PRO A 18 2.568 12.840 3.433 1.00 2.83 C ATOM 0 HA PRO A 18 1.909 14.526 6.250 1.00 2.90 H new ATOM 0 HB2 PRO A 18 3.241 12.205 6.633 1.00 3.70 H new ATOM 0 HB3 PRO A 18 1.583 12.060 6.085 1.00 3.70 H new ATOM 0 HG2 PRO A 18 4.130 11.803 4.505 1.00 3.66 H new ATOM 0 HG3 PRO A 18 2.643 10.888 4.353 1.00 3.66 H new ATOM 0 HD2 PRO A 18 3.385 13.143 2.778 1.00 2.83 H new ATOM 0 HD3 PRO A 18 1.807 12.382 2.802 1.00 2.83 H new ATOM 251 N GLY A 19 4.382 15.157 4.580 1.00 2.46 N ATOM 252 CA GLY A 19 5.720 15.716 4.545 1.00 2.58 C ATOM 253 C GLY A 19 6.704 14.735 3.935 1.00 1.98 C ATOM 254 O GLY A 19 7.905 14.794 4.198 1.00 2.27 O ATOM 0 H GLY A 19 3.844 15.286 3.723 1.00 2.46 H new ATOM 0 HA2 GLY A 19 5.717 16.640 3.967 1.00 2.58 H new ATOM 0 HA3 GLY A 19 6.037 15.973 5.556 1.00 2.58 H new ATOM 258 N GLU A 20 6.174 13.813 3.133 1.00 1.91 N ATOM 259 CA GLU A 20 6.974 12.783 2.487 1.00 1.74 C ATOM 260 C GLU A 20 6.952 12.933 0.965 1.00 1.36 C ATOM 261 O GLU A 20 6.500 13.954 0.446 1.00 2.07 O ATOM 262 CB GLU A 20 6.438 11.416 2.898 1.00 2.62 C ATOM 263 CG GLU A 20 6.556 11.163 4.391 1.00 3.53 C ATOM 264 CD GLU A 20 5.716 9.994 4.862 1.00 4.03 C ATOM 265 OE1 GLU A 20 4.701 9.687 4.202 1.00 4.12 O ATOM 266 OE2 GLU A 20 6.070 9.389 5.896 1.00 4.69 O ATOM 0 H GLU A 20 5.179 13.762 2.915 1.00 1.91 H new ATOM 0 HA GLU A 20 8.011 12.886 2.806 1.00 1.74 H new ATOM 0 HB2 GLU A 20 5.392 11.337 2.602 1.00 2.62 H new ATOM 0 HB3 GLU A 20 6.981 10.640 2.358 1.00 2.62 H new ATOM 0 HG2 GLU A 20 7.600 10.977 4.641 1.00 3.53 H new ATOM 0 HG3 GLU A 20 6.255 12.061 4.931 1.00 3.53 H new ATOM 273 N ASN A 21 7.450 11.921 0.246 1.00 1.08 N ATOM 274 CA ASN A 21 7.480 11.986 -1.214 1.00 1.79 C ATOM 275 C ASN A 21 7.602 10.606 -1.875 1.00 1.57 C ATOM 276 O ASN A 21 7.985 10.516 -3.042 1.00 2.07 O ATOM 277 CB ASN A 21 8.636 12.878 -1.668 1.00 2.76 C ATOM 278 CG ASN A 21 8.214 13.873 -2.727 1.00 3.80 C ATOM 279 OD1 ASN A 21 8.375 13.630 -3.924 1.00 4.47 O ATOM 280 ND2 ASN A 21 7.672 15.002 -2.294 1.00 4.30 N ATOM 0 H ASN A 21 7.831 11.063 0.645 1.00 1.08 H new ATOM 0 HA ASN A 21 6.526 12.407 -1.531 1.00 1.79 H new ATOM 0 HB2 ASN A 21 9.037 13.415 -0.808 1.00 2.76 H new ATOM 0 HB3 ASN A 21 9.441 12.255 -2.058 1.00 2.76 H new ATOM 0 HD21 ASN A 21 7.369 15.711 -2.962 1.00 4.30 H new ATOM 0 HD22 ASN A 21 7.558 15.162 -1.293 1.00 4.30 H new ATOM 287 N LEU A 22 7.263 9.537 -1.157 1.00 1.06 N ATOM 288 CA LEU A 22 7.333 8.192 -1.736 1.00 0.90 C ATOM 289 C LEU A 22 6.382 7.226 -1.043 1.00 0.77 C ATOM 290 O LEU A 22 5.573 7.618 -0.205 1.00 0.92 O ATOM 291 CB LEU A 22 8.758 7.612 -1.699 1.00 1.01 C ATOM 292 CG LEU A 22 9.799 8.397 -0.901 1.00 0.89 C ATOM 293 CD1 LEU A 22 10.105 7.691 0.410 1.00 1.70 C ATOM 294 CD2 LEU A 22 11.067 8.555 -1.721 1.00 1.13 C ATOM 0 H LEU A 22 6.942 9.571 -0.189 1.00 1.06 H new ATOM 0 HA LEU A 22 7.031 8.304 -2.777 1.00 0.90 H new ATOM 0 HB2 LEU A 22 8.704 6.604 -1.288 1.00 1.01 H new ATOM 0 HB3 LEU A 22 9.114 7.520 -2.725 1.00 1.01 H new ATOM 0 HG LEU A 22 9.397 9.385 -0.675 1.00 0.89 H new ATOM 0 HD11 LEU A 22 10.848 8.263 0.966 1.00 1.70 H new ATOM 0 HD12 LEU A 22 9.193 7.610 1.001 1.00 1.70 H new ATOM 0 HD13 LEU A 22 10.494 6.694 0.204 1.00 1.70 H new ATOM 0 HD21 LEU A 22 11.804 9.115 -1.146 1.00 1.13 H new ATOM 0 HD22 LEU A 22 11.468 7.571 -1.964 1.00 1.13 H new ATOM 0 HD23 LEU A 22 10.840 9.092 -2.642 1.00 1.13 H new ATOM 306 N CYS A 23 6.492 5.955 -1.413 1.00 0.69 N ATOM 307 CA CYS A 23 5.652 4.908 -0.850 1.00 0.71 C ATOM 308 C CYS A 23 6.463 3.637 -0.627 1.00 0.76 C ATOM 309 O CYS A 23 7.113 3.142 -1.549 1.00 0.99 O ATOM 310 CB CYS A 23 4.493 4.613 -1.797 1.00 0.84 C ATOM 311 SG CYS A 23 2.868 5.125 -1.167 1.00 1.02 S ATOM 0 H CYS A 23 7.162 5.624 -2.107 1.00 0.69 H new ATOM 0 HA CYS A 23 5.263 5.251 0.109 1.00 0.71 H new ATOM 0 HB2 CYS A 23 4.677 5.116 -2.746 1.00 0.84 H new ATOM 0 HB3 CYS A 23 4.470 3.543 -2.003 1.00 0.84 H new ATOM 316 N TYR A 24 6.434 3.107 0.594 1.00 0.74 N ATOM 317 CA TYR A 24 7.183 1.904 0.898 1.00 0.84 C ATOM 318 C TYR A 24 6.265 0.751 1.287 1.00 0.86 C ATOM 319 O TYR A 24 5.062 0.927 1.471 1.00 1.23 O ATOM 320 CB TYR A 24 8.163 2.175 2.036 1.00 1.01 C ATOM 321 CG TYR A 24 7.490 2.427 3.368 1.00 1.03 C ATOM 322 CD1 TYR A 24 7.059 1.373 4.161 1.00 1.57 C ATOM 323 CD2 TYR A 24 7.289 3.722 3.830 1.00 1.62 C ATOM 324 CE1 TYR A 24 6.443 1.600 5.377 1.00 1.68 C ATOM 325 CE2 TYR A 24 6.673 3.957 5.045 1.00 1.74 C ATOM 326 CZ TYR A 24 6.254 2.894 5.815 1.00 1.34 C ATOM 327 OH TYR A 24 5.640 3.124 7.026 1.00 1.57 O ATOM 0 H TYR A 24 5.904 3.491 1.377 1.00 0.74 H new ATOM 0 HA TYR A 24 7.726 1.618 -0.003 1.00 0.84 H new ATOM 0 HB2 TYR A 24 8.837 1.324 2.134 1.00 1.01 H new ATOM 0 HB3 TYR A 24 8.776 3.039 1.779 1.00 1.01 H new ATOM 0 HD1 TYR A 24 7.207 0.358 3.822 1.00 1.57 H new ATOM 0 HD2 TYR A 24 7.619 4.558 3.231 1.00 1.62 H new ATOM 0 HE1 TYR A 24 6.111 0.768 5.981 1.00 1.68 H new ATOM 0 HE2 TYR A 24 6.521 4.969 5.389 1.00 1.74 H new ATOM 0 HH TYR A 24 5.585 4.089 7.187 1.00 1.57 H new ATOM 337 N ARG A 25 6.860 -0.426 1.424 1.00 0.81 N ATOM 338 CA ARG A 25 6.127 -1.626 1.810 1.00 0.85 C ATOM 339 C ARG A 25 7.019 -2.549 2.633 1.00 0.85 C ATOM 340 O ARG A 25 7.628 -3.477 2.101 1.00 1.02 O ATOM 341 CB ARG A 25 5.613 -2.361 0.568 1.00 0.99 C ATOM 342 CG ARG A 25 6.639 -2.468 -0.552 1.00 1.29 C ATOM 343 CD ARG A 25 6.018 -2.193 -1.912 1.00 1.64 C ATOM 344 NE ARG A 25 6.004 -3.384 -2.760 1.00 1.83 N ATOM 345 CZ ARG A 25 7.053 -3.805 -3.466 1.00 2.23 C ATOM 346 NH1 ARG A 25 8.204 -3.147 -3.416 1.00 2.63 N ATOM 347 NH2 ARG A 25 6.948 -4.890 -4.220 1.00 2.91 N ATOM 0 H ARG A 25 7.857 -0.577 1.272 1.00 0.81 H new ATOM 0 HA ARG A 25 5.273 -1.328 2.418 1.00 0.85 H new ATOM 0 HB2 ARG A 25 5.297 -3.364 0.856 1.00 0.99 H new ATOM 0 HB3 ARG A 25 4.730 -1.845 0.191 1.00 0.99 H new ATOM 0 HG2 ARG A 25 7.449 -1.761 -0.372 1.00 1.29 H new ATOM 0 HG3 ARG A 25 7.079 -3.465 -0.548 1.00 1.29 H new ATOM 0 HD2 ARG A 25 4.998 -1.831 -1.778 1.00 1.64 H new ATOM 0 HD3 ARG A 25 6.575 -1.400 -2.411 1.00 1.64 H new ATOM 0 HE ARG A 25 5.141 -3.924 -2.814 1.00 1.83 H new ATOM 0 HH11 ARG A 25 8.290 -2.313 -2.835 1.00 2.63 H new ATOM 0 HH12 ARG A 25 9.003 -3.475 -3.959 1.00 2.63 H new ATOM 0 HH21 ARG A 25 6.066 -5.401 -4.259 1.00 2.91 H new ATOM 0 HH22 ARG A 25 7.749 -5.214 -4.761 1.00 2.91 H new ATOM 361 N LYS A 26 7.100 -2.284 3.936 1.00 0.83 N ATOM 362 CA LYS A 26 7.929 -3.091 4.829 1.00 0.89 C ATOM 363 C LYS A 26 7.421 -4.527 4.880 1.00 0.86 C ATOM 364 O LYS A 26 6.291 -4.766 5.294 1.00 1.06 O ATOM 365 CB LYS A 26 7.938 -2.489 6.235 1.00 1.09 C ATOM 366 CG LYS A 26 8.848 -3.222 7.206 1.00 1.23 C ATOM 367 CD LYS A 26 9.486 -2.266 8.202 1.00 1.40 C ATOM 368 CE LYS A 26 10.902 -2.691 8.555 1.00 1.63 C ATOM 369 NZ LYS A 26 10.926 -3.983 9.294 1.00 2.19 N ATOM 0 H LYS A 26 6.604 -1.520 4.395 1.00 0.83 H new ATOM 0 HA LYS A 26 8.947 -3.095 4.440 1.00 0.89 H new ATOM 0 HB2 LYS A 26 8.252 -1.447 6.173 1.00 1.09 H new ATOM 0 HB3 LYS A 26 6.922 -2.493 6.629 1.00 1.09 H new ATOM 0 HG2 LYS A 26 8.275 -3.979 7.742 1.00 1.23 H new ATOM 0 HG3 LYS A 26 9.627 -3.745 6.652 1.00 1.23 H new ATOM 0 HD2 LYS A 26 9.501 -1.260 7.783 1.00 1.40 H new ATOM 0 HD3 LYS A 26 8.881 -2.226 9.108 1.00 1.40 H new ATOM 0 HE2 LYS A 26 11.491 -2.784 7.643 1.00 1.63 H new ATOM 0 HE3 LYS A 26 11.373 -1.917 9.161 1.00 1.63 H new ATOM 0 HZ1 LYS A 26 11.910 -4.238 9.516 1.00 2.19 H new ATOM 0 HZ2 LYS A 26 10.385 -3.888 10.177 1.00 2.19 H new ATOM 0 HZ3 LYS A 26 10.500 -4.727 8.706 1.00 2.19 H new ATOM 383 N MET A 27 8.255 -5.477 4.461 1.00 0.79 N ATOM 384 CA MET A 27 7.853 -6.893 4.463 1.00 0.85 C ATOM 385 C MET A 27 8.883 -7.754 5.184 1.00 0.79 C ATOM 386 O MET A 27 9.992 -7.297 5.459 1.00 0.84 O ATOM 387 CB MET A 27 7.661 -7.409 3.030 1.00 1.03 C ATOM 388 CG MET A 27 7.554 -6.315 1.977 1.00 1.28 C ATOM 389 SD MET A 27 7.687 -6.957 0.297 1.00 1.66 S ATOM 390 CE MET A 27 6.535 -5.892 -0.566 1.00 2.08 C ATOM 0 H MET A 27 9.200 -5.302 4.120 1.00 0.79 H new ATOM 0 HA MET A 27 6.904 -6.963 4.995 1.00 0.85 H new ATOM 0 HB2 MET A 27 8.497 -8.060 2.776 1.00 1.03 H new ATOM 0 HB3 MET A 27 6.759 -8.020 2.995 1.00 1.03 H new ATOM 0 HG2 MET A 27 6.601 -5.798 2.090 1.00 1.28 H new ATOM 0 HG3 MET A 27 8.339 -5.577 2.144 1.00 1.28 H new ATOM 0 HE1 MET A 27 5.796 -6.501 -1.087 1.00 2.08 H new ATOM 0 HE2 MET A 27 6.031 -5.245 0.151 1.00 2.08 H new ATOM 0 HE3 MET A 27 7.076 -5.281 -1.289 1.00 2.08 H new ATOM 400 N TRP A 28 8.527 -9.012 5.488 1.00 0.77 N ATOM 401 CA TRP A 28 9.478 -9.901 6.174 1.00 0.81 C ATOM 402 C TRP A 28 10.368 -10.591 5.168 1.00 0.98 C ATOM 403 O TRP A 28 11.433 -10.091 4.807 1.00 1.57 O ATOM 404 CB TRP A 28 8.794 -10.967 7.045 1.00 1.07 C ATOM 405 CG TRP A 28 8.005 -10.443 8.198 1.00 0.86 C ATOM 406 CD1 TRP A 28 7.212 -11.183 9.022 1.00 0.88 C ATOM 407 CD2 TRP A 28 7.888 -9.087 8.639 1.00 0.85 C ATOM 408 NE1 TRP A 28 6.596 -10.375 9.935 1.00 0.89 N ATOM 409 CE2 TRP A 28 6.997 -9.086 9.722 1.00 0.89 C ATOM 410 CE3 TRP A 28 8.442 -7.871 8.228 1.00 1.00 C ATOM 411 CZ2 TRP A 28 6.642 -7.932 10.387 1.00 1.07 C ATOM 412 CZ3 TRP A 28 8.089 -6.716 8.903 1.00 1.15 C ATOM 413 CH2 TRP A 28 7.191 -6.755 9.970 1.00 1.19 C ATOM 0 H TRP A 28 7.619 -9.427 5.278 1.00 0.77 H new ATOM 0 HA TRP A 28 10.064 -9.263 6.835 1.00 0.81 H new ATOM 0 HB2 TRP A 28 8.132 -11.558 6.412 1.00 1.07 H new ATOM 0 HB3 TRP A 28 9.558 -11.644 7.427 1.00 1.07 H new ATOM 0 HD1 TRP A 28 7.088 -12.254 8.962 1.00 0.88 H new ATOM 0 HE1 TRP A 28 5.944 -10.683 10.657 1.00 0.89 H new ATOM 0 HE3 TRP A 28 9.133 -7.834 7.399 1.00 1.00 H new ATOM 0 HZ2 TRP A 28 5.949 -7.959 11.215 1.00 1.07 H new ATOM 0 HZ3 TRP A 28 8.515 -5.771 8.600 1.00 1.15 H new ATOM 0 HH2 TRP A 28 6.926 -5.838 10.474 1.00 1.19 H new ATOM 424 N CYS A 29 9.919 -11.743 4.730 1.00 1.10 N ATOM 425 CA CYS A 29 10.657 -12.528 3.767 1.00 1.39 C ATOM 426 C CYS A 29 10.902 -11.710 2.507 1.00 1.62 C ATOM 427 O CYS A 29 11.951 -11.828 1.873 1.00 2.20 O ATOM 428 CB CYS A 29 9.911 -13.819 3.427 1.00 1.50 C ATOM 429 SG CYS A 29 10.800 -15.351 3.843 1.00 1.87 S ATOM 0 H CYS A 29 9.038 -12.161 5.028 1.00 1.10 H new ATOM 0 HA CYS A 29 11.617 -12.799 4.207 1.00 1.39 H new ATOM 0 HB2 CYS A 29 8.955 -13.817 3.951 1.00 1.50 H new ATOM 0 HB3 CYS A 29 9.690 -13.823 2.360 1.00 1.50 H new ATOM 434 N ASP A 30 9.923 -10.872 2.154 1.00 1.38 N ATOM 435 CA ASP A 30 10.029 -10.023 0.973 1.00 1.74 C ATOM 436 C ASP A 30 10.605 -10.801 -0.209 1.00 1.96 C ATOM 437 O ASP A 30 11.300 -10.245 -1.060 1.00 2.52 O ATOM 438 CB ASP A 30 10.889 -8.805 1.298 1.00 2.08 C ATOM 439 CG ASP A 30 10.768 -7.713 0.252 1.00 2.33 C ATOM 440 OD1 ASP A 30 10.219 -7.989 -0.836 1.00 2.64 O ATOM 441 OD2 ASP A 30 11.226 -6.582 0.520 1.00 2.75 O ATOM 0 H ASP A 30 9.050 -10.766 2.671 1.00 1.38 H new ATOM 0 HA ASP A 30 9.033 -9.686 0.687 1.00 1.74 H new ATOM 0 HB2 ASP A 30 10.597 -8.407 2.270 1.00 2.08 H new ATOM 0 HB3 ASP A 30 11.932 -9.112 1.379 1.00 2.08 H new ATOM 446 N ALA A 31 10.302 -12.096 -0.244 1.00 2.10 N ATOM 447 CA ALA A 31 10.772 -12.977 -1.304 1.00 2.46 C ATOM 448 C ALA A 31 9.957 -14.268 -1.329 1.00 2.26 C ATOM 449 O ALA A 31 10.510 -15.366 -1.381 1.00 2.66 O ATOM 450 CB ALA A 31 12.252 -13.282 -1.121 1.00 2.98 C ATOM 0 H ALA A 31 9.727 -12.560 0.459 1.00 2.10 H new ATOM 0 HA ALA A 31 10.639 -12.470 -2.260 1.00 2.46 H new ATOM 0 HB1 ALA A 31 12.589 -13.942 -1.921 1.00 2.98 H new ATOM 0 HB2 ALA A 31 12.822 -12.353 -1.152 1.00 2.98 H new ATOM 0 HB3 ALA A 31 12.407 -13.770 -0.159 1.00 2.98 H new ATOM 456 N PHE A 32 8.638 -14.117 -1.291 1.00 2.11 N ATOM 457 CA PHE A 32 7.727 -15.256 -1.309 1.00 2.17 C ATOM 458 C PHE A 32 7.989 -16.200 -0.133 1.00 1.75 C ATOM 459 O PHE A 32 9.017 -16.875 -0.086 1.00 2.16 O ATOM 460 CB PHE A 32 7.863 -16.014 -2.629 1.00 2.77 C ATOM 461 CG PHE A 32 6.720 -15.782 -3.576 1.00 3.17 C ATOM 462 CD1 PHE A 32 6.618 -14.593 -4.282 1.00 3.74 C ATOM 463 CD2 PHE A 32 5.747 -16.752 -3.762 1.00 3.67 C ATOM 464 CE1 PHE A 32 5.570 -14.376 -5.154 1.00 4.54 C ATOM 465 CE2 PHE A 32 4.696 -16.540 -4.633 1.00 4.50 C ATOM 466 CZ PHE A 32 4.606 -15.352 -5.330 1.00 4.85 C ATOM 0 H PHE A 32 8.173 -13.210 -1.247 1.00 2.11 H new ATOM 0 HA PHE A 32 6.710 -14.875 -1.214 1.00 2.17 H new ATOM 0 HB2 PHE A 32 8.792 -15.717 -3.115 1.00 2.77 H new ATOM 0 HB3 PHE A 32 7.940 -17.081 -2.420 1.00 2.77 H new ATOM 0 HD1 PHE A 32 7.368 -13.827 -4.148 1.00 3.74 H new ATOM 0 HD2 PHE A 32 5.811 -17.684 -3.220 1.00 3.67 H new ATOM 0 HE1 PHE A 32 5.503 -13.445 -5.698 1.00 4.54 H new ATOM 0 HE2 PHE A 32 3.945 -17.304 -4.769 1.00 4.50 H new ATOM 0 HZ PHE A 32 3.785 -15.185 -6.011 1.00 4.85 H new ATOM 476 N CYS A 33 7.045 -16.249 0.806 1.00 1.44 N ATOM 477 CA CYS A 33 7.169 -17.120 1.974 1.00 1.44 C ATOM 478 C CYS A 33 5.802 -17.395 2.608 1.00 1.67 C ATOM 479 O CYS A 33 5.709 -17.642 3.810 1.00 2.41 O ATOM 480 CB CYS A 33 8.104 -16.501 3.021 1.00 1.66 C ATOM 481 SG CYS A 33 9.882 -16.757 2.695 1.00 1.93 S ATOM 0 H CYS A 33 6.188 -15.697 0.781 1.00 1.44 H new ATOM 0 HA CYS A 33 7.593 -18.064 1.631 1.00 1.44 H new ATOM 0 HB2 CYS A 33 7.908 -15.430 3.076 1.00 1.66 H new ATOM 0 HB3 CYS A 33 7.863 -16.920 3.998 1.00 1.66 H new ATOM 486 N SER A 34 4.742 -17.357 1.798 1.00 1.74 N ATOM 487 CA SER A 34 3.390 -17.609 2.302 1.00 2.21 C ATOM 488 C SER A 34 2.348 -17.533 1.182 1.00 2.07 C ATOM 489 O SER A 34 2.693 -17.537 0.000 1.00 2.39 O ATOM 490 CB SER A 34 3.042 -16.611 3.409 1.00 2.92 C ATOM 491 OG SER A 34 2.633 -17.280 4.591 1.00 3.47 O ATOM 0 H SER A 34 4.792 -17.156 0.799 1.00 1.74 H new ATOM 0 HA SER A 34 3.372 -18.620 2.709 1.00 2.21 H new ATOM 0 HB2 SER A 34 3.908 -15.985 3.623 1.00 2.92 H new ATOM 0 HB3 SER A 34 2.246 -15.949 3.069 1.00 2.92 H new ATOM 0 HG SER A 34 2.619 -16.646 5.338 1.00 3.47 H new ATOM 497 N SER A 35 1.072 -17.473 1.568 1.00 2.23 N ATOM 498 CA SER A 35 -0.026 -17.405 0.604 1.00 2.38 C ATOM 499 C SER A 35 -0.222 -15.978 0.093 1.00 2.12 C ATOM 500 O SER A 35 0.222 -15.645 -1.006 1.00 2.53 O ATOM 501 CB SER A 35 -1.322 -17.918 1.237 1.00 2.81 C ATOM 502 OG SER A 35 -1.699 -17.124 2.346 1.00 3.24 O ATOM 0 H SER A 35 0.774 -17.470 2.544 1.00 2.23 H new ATOM 0 HA SER A 35 0.232 -18.039 -0.244 1.00 2.38 H new ATOM 0 HB2 SER A 35 -2.120 -17.912 0.494 1.00 2.81 H new ATOM 0 HB3 SER A 35 -1.190 -18.952 1.555 1.00 2.81 H new ATOM 0 HG SER A 35 -2.584 -17.402 2.661 1.00 3.24 H new ATOM 508 N ARG A 36 -0.885 -15.139 0.899 1.00 2.05 N ATOM 509 CA ARG A 36 -1.135 -13.736 0.535 1.00 2.00 C ATOM 510 C ARG A 36 0.044 -13.177 -0.250 1.00 2.04 C ATOM 511 O ARG A 36 -0.111 -12.567 -1.307 1.00 2.72 O ATOM 512 CB ARG A 36 -1.330 -12.886 1.813 1.00 2.08 C ATOM 513 CG ARG A 36 -2.544 -11.946 1.812 1.00 1.74 C ATOM 514 CD ARG A 36 -3.721 -12.563 1.056 1.00 2.68 C ATOM 515 NE ARG A 36 -3.653 -12.291 -0.378 1.00 3.20 N ATOM 516 CZ ARG A 36 -4.309 -12.992 -1.299 1.00 3.94 C ATOM 517 NH1 ARG A 36 -5.087 -14.006 -0.942 1.00 4.27 N ATOM 518 NH2 ARG A 36 -4.189 -12.677 -2.582 1.00 4.76 N ATOM 0 H ARG A 36 -1.259 -15.407 1.809 1.00 2.05 H new ATOM 0 HA ARG A 36 -2.035 -13.695 -0.079 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -1.417 -13.560 2.665 1.00 2.08 H new ATOM 0 HB3 ARG A 36 -0.432 -12.289 1.970 1.00 2.08 H new ATOM 0 HG2 ARG A 36 -2.841 -11.730 2.838 1.00 1.74 H new ATOM 0 HG3 ARG A 36 -2.271 -10.996 1.352 1.00 1.74 H new ATOM 0 HD2 ARG A 36 -3.733 -13.640 1.221 1.00 2.68 H new ATOM 0 HD3 ARG A 36 -4.655 -12.169 1.456 1.00 2.68 H new ATOM 0 HE ARG A 36 -3.067 -11.517 -0.692 1.00 3.20 H new ATOM 0 HH11 ARG A 36 -5.185 -14.252 0.043 1.00 4.27 H new ATOM 0 HH12 ARG A 36 -5.587 -14.540 -1.653 1.00 4.27 H new ATOM 0 HH21 ARG A 36 -3.594 -11.897 -2.862 1.00 4.76 H new ATOM 0 HH22 ARG A 36 -4.692 -13.214 -3.288 1.00 4.76 H new ATOM 532 N GLY A 37 1.214 -13.386 0.318 1.00 1.75 N ATOM 533 CA GLY A 37 2.452 -12.911 -0.251 1.00 2.21 C ATOM 534 C GLY A 37 3.440 -12.701 0.864 1.00 1.79 C ATOM 535 O GLY A 37 3.911 -13.670 1.458 1.00 2.20 O ATOM 0 H GLY A 37 1.330 -13.895 1.194 1.00 1.75 H new ATOM 0 HA2 GLY A 37 2.840 -13.633 -0.970 1.00 2.21 H new ATOM 0 HA3 GLY A 37 2.287 -11.979 -0.792 1.00 2.21 H new ATOM 539 N LYS A 38 3.709 -11.447 1.205 1.00 1.40 N ATOM 540 CA LYS A 38 4.598 -11.152 2.320 1.00 1.39 C ATOM 541 C LYS A 38 3.914 -10.235 3.304 1.00 1.23 C ATOM 542 O LYS A 38 3.259 -9.273 2.915 1.00 1.86 O ATOM 543 CB LYS A 38 5.916 -10.493 1.899 1.00 1.66 C ATOM 544 CG LYS A 38 6.673 -11.211 0.805 1.00 2.44 C ATOM 545 CD LYS A 38 6.630 -12.716 0.977 1.00 3.26 C ATOM 546 CE LYS A 38 7.415 -13.166 2.189 1.00 4.06 C ATOM 547 NZ LYS A 38 6.539 -13.432 3.364 1.00 4.85 N ATOM 0 H LYS A 38 3.329 -10.627 0.732 1.00 1.40 H new ATOM 0 HA LYS A 38 4.833 -12.117 2.769 1.00 1.39 H new ATOM 0 HB2 LYS A 38 5.706 -9.476 1.567 1.00 1.66 H new ATOM 0 HB3 LYS A 38 6.561 -10.415 2.774 1.00 1.66 H new ATOM 0 HG2 LYS A 38 6.250 -10.945 -0.163 1.00 2.44 H new ATOM 0 HG3 LYS A 38 7.710 -10.876 0.802 1.00 2.44 H new ATOM 0 HD2 LYS A 38 5.594 -13.041 1.074 1.00 3.26 H new ATOM 0 HD3 LYS A 38 7.033 -13.195 0.085 1.00 3.26 H new ATOM 0 HE2 LYS A 38 7.973 -14.070 1.943 1.00 4.06 H new ATOM 0 HE3 LYS A 38 8.146 -12.401 2.450 1.00 4.06 H new ATOM 0 HZ1 LYS A 38 7.021 -14.083 4.016 1.00 4.85 H new ATOM 0 HZ2 LYS A 38 6.335 -12.538 3.855 1.00 4.85 H new ATOM 0 HZ3 LYS A 38 5.648 -13.861 3.043 1.00 4.85 H new ATOM 561 N VAL A 39 4.111 -10.530 4.576 1.00 0.90 N ATOM 562 CA VAL A 39 3.566 -9.727 5.666 1.00 0.75 C ATOM 563 C VAL A 39 3.318 -8.289 5.225 1.00 0.80 C ATOM 564 O VAL A 39 2.230 -7.744 5.407 1.00 1.62 O ATOM 565 CB VAL A 39 4.548 -9.723 6.860 1.00 0.73 C ATOM 566 CG1 VAL A 39 5.948 -10.062 6.412 1.00 0.77 C ATOM 567 CG2 VAL A 39 4.544 -8.393 7.597 1.00 0.82 C ATOM 0 H VAL A 39 4.655 -11.335 4.888 1.00 0.90 H new ATOM 0 HA VAL A 39 2.616 -10.171 5.962 1.00 0.75 H new ATOM 0 HB VAL A 39 4.204 -10.491 7.553 1.00 0.73 H new ATOM 0 HG11 VAL A 39 6.618 -10.052 7.272 1.00 0.77 H new ATOM 0 HG12 VAL A 39 5.955 -11.053 5.958 1.00 0.77 H new ATOM 0 HG13 VAL A 39 6.284 -9.326 5.682 1.00 0.77 H new ATOM 0 HG21 VAL A 39 5.248 -8.435 8.428 1.00 0.82 H new ATOM 0 HG22 VAL A 39 4.838 -7.597 6.913 1.00 0.82 H new ATOM 0 HG23 VAL A 39 3.543 -8.192 7.979 1.00 0.82 H new ATOM 577 N VAL A 40 4.358 -7.696 4.654 1.00 1.00 N ATOM 578 CA VAL A 40 4.323 -6.322 4.177 1.00 0.94 C ATOM 579 C VAL A 40 3.742 -5.370 5.212 1.00 0.99 C ATOM 580 O VAL A 40 3.232 -5.779 6.254 1.00 1.40 O ATOM 581 CB VAL A 40 3.545 -6.168 2.858 1.00 1.03 C ATOM 582 CG1 VAL A 40 4.197 -6.995 1.767 1.00 1.25 C ATOM 583 CG2 VAL A 40 2.084 -6.546 3.033 1.00 1.31 C ATOM 0 H VAL A 40 5.255 -8.159 4.508 1.00 1.00 H new ATOM 0 HA VAL A 40 5.365 -6.058 3.995 1.00 0.94 H new ATOM 0 HB VAL A 40 3.576 -5.119 2.562 1.00 1.03 H new ATOM 0 HG11 VAL A 40 3.638 -6.878 0.839 1.00 1.25 H new ATOM 0 HG12 VAL A 40 5.223 -6.657 1.618 1.00 1.25 H new ATOM 0 HG13 VAL A 40 4.200 -8.045 2.059 1.00 1.25 H new ATOM 0 HG21 VAL A 40 1.561 -6.427 2.084 1.00 1.31 H new ATOM 0 HG22 VAL A 40 2.013 -7.584 3.358 1.00 1.31 H new ATOM 0 HG23 VAL A 40 1.628 -5.899 3.782 1.00 1.31 H new ATOM 593 N GLU A 41 3.849 -4.091 4.908 1.00 1.12 N ATOM 594 CA GLU A 41 3.366 -3.039 5.780 1.00 1.31 C ATOM 595 C GLU A 41 3.428 -1.710 5.053 1.00 1.09 C ATOM 596 O GLU A 41 4.329 -0.897 5.275 1.00 1.20 O ATOM 597 CB GLU A 41 4.192 -2.965 7.057 1.00 1.75 C ATOM 598 CG GLU A 41 3.533 -3.638 8.251 1.00 2.24 C ATOM 599 CD GLU A 41 2.831 -2.649 9.161 1.00 2.85 C ATOM 600 OE1 GLU A 41 1.908 -1.954 8.686 1.00 3.41 O ATOM 601 OE2 GLU A 41 3.202 -2.570 10.352 1.00 3.33 O ATOM 0 H GLU A 41 4.275 -3.751 4.046 1.00 1.12 H new ATOM 0 HA GLU A 41 2.335 -3.263 6.053 1.00 1.31 H new ATOM 0 HB2 GLU A 41 5.162 -3.429 6.879 1.00 1.75 H new ATOM 0 HB3 GLU A 41 4.379 -1.919 7.298 1.00 1.75 H new ATOM 0 HG2 GLU A 41 2.813 -4.375 7.896 1.00 2.24 H new ATOM 0 HG3 GLU A 41 4.288 -4.179 8.821 1.00 2.24 H new ATOM 608 N LEU A 42 2.466 -1.515 4.174 1.00 1.16 N ATOM 609 CA LEU A 42 2.365 -0.299 3.378 1.00 1.39 C ATOM 610 C LEU A 42 2.592 0.949 4.231 1.00 1.07 C ATOM 611 O LEU A 42 2.500 0.899 5.457 1.00 1.33 O ATOM 612 CB LEU A 42 0.985 -0.231 2.724 1.00 2.10 C ATOM 613 CG LEU A 42 0.976 -0.408 1.211 1.00 2.81 C ATOM 614 CD1 LEU A 42 -0.384 -0.895 0.735 1.00 3.51 C ATOM 615 CD2 LEU A 42 1.340 0.898 0.537 1.00 3.51 C ATOM 0 H LEU A 42 1.728 -2.194 3.988 1.00 1.16 H new ATOM 0 HA LEU A 42 3.140 -0.329 2.612 1.00 1.39 H new ATOM 0 HB2 LEU A 42 0.352 -0.999 3.168 1.00 2.10 H new ATOM 0 HB3 LEU A 42 0.534 0.732 2.964 1.00 2.10 H new ATOM 0 HG LEU A 42 1.717 -1.161 0.942 1.00 2.81 H new ATOM 0 HD11 LEU A 42 -0.369 -1.015 -0.348 1.00 3.51 H new ATOM 0 HD12 LEU A 42 -0.612 -1.853 1.203 1.00 3.51 H new ATOM 0 HD13 LEU A 42 -1.147 -0.167 1.009 1.00 3.51 H new ATOM 0 HD21 LEU A 42 1.332 0.764 -0.545 1.00 3.51 H new ATOM 0 HD22 LEU A 42 0.616 1.664 0.813 1.00 3.51 H new ATOM 0 HD23 LEU A 42 2.335 1.207 0.856 1.00 3.51 H new ATOM 627 N GLY A 43 2.886 2.067 3.572 1.00 0.94 N ATOM 628 CA GLY A 43 3.117 3.309 4.282 1.00 1.07 C ATOM 629 C GLY A 43 3.913 4.302 3.460 1.00 0.96 C ATOM 630 O GLY A 43 4.840 3.930 2.742 1.00 1.16 O ATOM 0 H GLY A 43 2.968 2.133 2.557 1.00 0.94 H new ATOM 0 HA2 GLY A 43 2.159 3.752 4.555 1.00 1.07 H new ATOM 0 HA3 GLY A 43 3.649 3.101 5.211 1.00 1.07 H new ATOM 634 N CYS A 44 3.542 5.570 3.566 1.00 0.84 N ATOM 635 CA CYS A 44 4.215 6.639 2.834 1.00 0.76 C ATOM 636 C CYS A 44 5.442 7.127 3.611 1.00 0.86 C ATOM 637 O CYS A 44 5.377 7.311 4.825 1.00 1.07 O ATOM 638 CB CYS A 44 3.227 7.790 2.597 1.00 0.81 C ATOM 639 SG CYS A 44 3.817 9.113 1.494 1.00 1.35 S ATOM 0 H CYS A 44 2.773 5.887 4.156 1.00 0.84 H new ATOM 0 HA CYS A 44 4.557 6.260 1.871 1.00 0.76 H new ATOM 0 HB2 CYS A 44 2.308 7.377 2.182 1.00 0.81 H new ATOM 0 HB3 CYS A 44 2.971 8.231 3.561 1.00 0.81 H new ATOM 644 N ALA A 45 6.558 7.319 2.908 1.00 0.87 N ATOM 645 CA ALA A 45 7.800 7.775 3.541 1.00 1.04 C ATOM 646 C ALA A 45 8.446 8.908 2.750 1.00 1.05 C ATOM 647 O ALA A 45 8.136 9.112 1.576 1.00 1.16 O ATOM 648 CB ALA A 45 8.777 6.619 3.692 1.00 1.21 C ATOM 0 H ALA A 45 6.630 7.167 1.902 1.00 0.87 H new ATOM 0 HA ALA A 45 7.545 8.156 4.530 1.00 1.04 H new ATOM 0 HB1 ALA A 45 9.693 6.976 4.163 1.00 1.21 H new ATOM 0 HB2 ALA A 45 8.329 5.842 4.312 1.00 1.21 H new ATOM 0 HB3 ALA A 45 9.011 6.209 2.709 1.00 1.21 H new ATOM 654 N ALA A 46 9.339 9.652 3.404 1.00 1.25 N ATOM 655 CA ALA A 46 10.021 10.779 2.767 1.00 1.34 C ATOM 656 C ALA A 46 11.433 10.418 2.300 1.00 1.36 C ATOM 657 O ALA A 46 12.106 11.229 1.664 1.00 1.78 O ATOM 658 CB ALA A 46 10.079 11.963 3.718 1.00 1.57 C ATOM 0 H ALA A 46 9.607 9.494 4.375 1.00 1.25 H new ATOM 0 HA ALA A 46 9.442 11.045 1.882 1.00 1.34 H new ATOM 0 HB1 ALA A 46 10.589 12.795 3.232 1.00 1.57 H new ATOM 0 HB2 ALA A 46 9.066 12.264 3.986 1.00 1.57 H new ATOM 0 HB3 ALA A 46 10.624 11.680 4.619 1.00 1.57 H new ATOM 664 N THR A 47 11.881 9.209 2.618 1.00 1.21 N ATOM 665 CA THR A 47 13.214 8.767 2.223 1.00 1.35 C ATOM 666 C THR A 47 13.192 7.308 1.789 1.00 1.45 C ATOM 667 O THR A 47 12.431 6.504 2.329 1.00 2.27 O ATOM 668 CB THR A 47 14.201 8.957 3.377 1.00 1.55 C ATOM 669 OG1 THR A 47 13.537 8.872 4.624 1.00 2.06 O ATOM 670 CG2 THR A 47 14.926 10.286 3.332 1.00 2.18 C ATOM 0 H THR A 47 11.344 8.520 3.145 1.00 1.21 H new ATOM 0 HA THR A 47 13.538 9.374 1.378 1.00 1.35 H new ATOM 0 HB THR A 47 14.934 8.158 3.265 1.00 1.55 H new ATOM 0 HG1 THR A 47 14.185 8.994 5.349 1.00 2.06 H new ATOM 0 HG21 THR A 47 15.610 10.356 4.178 1.00 2.18 H new ATOM 0 HG22 THR A 47 15.490 10.362 2.402 1.00 2.18 H new ATOM 0 HG23 THR A 47 14.201 11.098 3.384 1.00 2.18 H new ATOM 678 N CYS A 48 14.016 6.971 0.802 1.00 1.30 N ATOM 679 CA CYS A 48 14.062 5.607 0.295 1.00 1.60 C ATOM 680 C CYS A 48 15.471 5.019 0.315 1.00 1.50 C ATOM 681 O CYS A 48 16.089 4.827 -0.734 1.00 1.89 O ATOM 682 CB CYS A 48 13.504 5.555 -1.123 1.00 2.23 C ATOM 683 SG CYS A 48 12.593 4.026 -1.485 1.00 2.27 S ATOM 0 H CYS A 48 14.655 7.619 0.341 1.00 1.30 H new ATOM 0 HA CYS A 48 13.447 5.001 0.961 1.00 1.60 H new ATOM 0 HB2 CYS A 48 12.843 6.408 -1.277 1.00 2.23 H new ATOM 0 HB3 CYS A 48 14.325 5.656 -1.832 1.00 2.23 H new ATOM 688 N PRO A 49 15.993 4.690 1.508 1.00 1.67 N ATOM 689 CA PRO A 49 17.320 4.086 1.644 1.00 2.01 C ATOM 690 C PRO A 49 17.323 2.639 1.163 1.00 1.97 C ATOM 691 O PRO A 49 16.369 2.196 0.525 1.00 2.38 O ATOM 692 CB PRO A 49 17.581 4.146 3.147 1.00 2.64 C ATOM 693 CG PRO A 49 16.225 4.106 3.758 1.00 2.84 C ATOM 694 CD PRO A 49 15.324 4.853 2.812 1.00 2.20 C ATOM 0 HA PRO A 49 18.076 4.599 1.050 1.00 2.01 H new ATOM 0 HB2 PRO A 49 18.191 3.306 3.478 1.00 2.64 H new ATOM 0 HB3 PRO A 49 18.114 5.056 3.422 1.00 2.64 H new ATOM 0 HG2 PRO A 49 15.886 3.078 3.890 1.00 2.84 H new ATOM 0 HG3 PRO A 49 16.227 4.570 4.744 1.00 2.84 H new ATOM 0 HD2 PRO A 49 14.317 4.437 2.802 1.00 2.20 H new ATOM 0 HD3 PRO A 49 15.232 5.903 3.089 1.00 2.20 H new ATOM 702 N SER A 50 18.389 1.903 1.480 1.00 2.11 N ATOM 703 CA SER A 50 18.501 0.495 1.081 1.00 2.30 C ATOM 704 C SER A 50 19.943 0.001 1.180 1.00 1.95 C ATOM 705 O SER A 50 20.885 0.792 1.172 1.00 2.12 O ATOM 706 CB SER A 50 17.987 0.286 -0.349 1.00 3.06 C ATOM 707 OG SER A 50 18.498 -0.912 -0.908 1.00 3.47 O ATOM 0 H SER A 50 19.186 2.255 2.010 1.00 2.11 H new ATOM 0 HA SER A 50 17.885 -0.083 1.770 1.00 2.30 H new ATOM 0 HB2 SER A 50 16.898 0.253 -0.345 1.00 3.06 H new ATOM 0 HB3 SER A 50 18.278 1.133 -0.970 1.00 3.06 H new ATOM 0 HG SER A 50 18.153 -1.021 -1.819 1.00 3.47 H new ATOM 713 N LYS A 51 20.100 -1.320 1.264 1.00 1.81 N ATOM 714 CA LYS A 51 21.419 -1.944 1.354 1.00 1.81 C ATOM 715 C LYS A 51 21.291 -3.434 1.667 1.00 1.86 C ATOM 716 O LYS A 51 21.698 -3.891 2.735 1.00 2.42 O ATOM 717 CB LYS A 51 22.273 -1.258 2.425 1.00 2.17 C ATOM 718 CG LYS A 51 21.538 -1.015 3.733 1.00 2.27 C ATOM 719 CD LYS A 51 22.421 -0.293 4.738 1.00 2.64 C ATOM 720 CE LYS A 51 21.605 0.287 5.883 1.00 3.02 C ATOM 721 NZ LYS A 51 22.328 0.195 7.181 1.00 3.62 N ATOM 0 H LYS A 51 19.324 -1.982 1.272 1.00 1.81 H new ATOM 0 HA LYS A 51 21.910 -1.829 0.388 1.00 1.81 H new ATOM 0 HB2 LYS A 51 23.153 -1.870 2.622 1.00 2.17 H new ATOM 0 HB3 LYS A 51 22.629 -0.304 2.036 1.00 2.17 H new ATOM 0 HG2 LYS A 51 20.641 -0.425 3.544 1.00 2.27 H new ATOM 0 HG3 LYS A 51 21.211 -1.967 4.151 1.00 2.27 H new ATOM 0 HD2 LYS A 51 23.164 -0.985 5.134 1.00 2.64 H new ATOM 0 HD3 LYS A 51 22.966 0.507 4.236 1.00 2.64 H new ATOM 0 HE2 LYS A 51 21.371 1.330 5.671 1.00 3.02 H new ATOM 0 HE3 LYS A 51 20.656 -0.243 5.958 1.00 3.02 H new ATOM 0 HZ1 LYS A 51 21.739 0.601 7.936 1.00 3.62 H new ATOM 0 HZ2 LYS A 51 22.529 -0.802 7.397 1.00 3.62 H new ATOM 0 HZ3 LYS A 51 23.222 0.722 7.118 1.00 3.62 H new ATOM 735 N LYS A 52 20.719 -4.187 0.729 1.00 1.89 N ATOM 736 CA LYS A 52 20.536 -5.630 0.905 1.00 2.02 C ATOM 737 C LYS A 52 19.916 -5.932 2.268 1.00 1.85 C ATOM 738 O LYS A 52 20.519 -6.614 3.096 1.00 2.17 O ATOM 739 CB LYS A 52 21.871 -6.375 0.768 1.00 2.50 C ATOM 740 CG LYS A 52 22.903 -5.658 -0.091 1.00 2.79 C ATOM 741 CD LYS A 52 24.004 -5.039 0.758 1.00 2.92 C ATOM 742 CE LYS A 52 24.836 -6.103 1.456 1.00 2.95 C ATOM 743 NZ LYS A 52 26.037 -6.482 0.661 1.00 3.19 N ATOM 0 H LYS A 52 20.374 -3.824 -0.160 1.00 1.89 H new ATOM 0 HA LYS A 52 19.861 -5.976 0.122 1.00 2.02 H new ATOM 0 HB2 LYS A 52 22.289 -6.533 1.762 1.00 2.50 H new ATOM 0 HB3 LYS A 52 21.682 -7.360 0.342 1.00 2.50 H new ATOM 0 HG2 LYS A 52 23.341 -6.362 -0.799 1.00 2.79 H new ATOM 0 HG3 LYS A 52 22.413 -4.880 -0.677 1.00 2.79 H new ATOM 0 HD2 LYS A 52 24.649 -4.427 0.128 1.00 2.92 H new ATOM 0 HD3 LYS A 52 23.562 -4.376 1.502 1.00 2.92 H new ATOM 0 HE2 LYS A 52 25.149 -5.735 2.433 1.00 2.95 H new ATOM 0 HE3 LYS A 52 24.222 -6.987 1.630 1.00 2.95 H new ATOM 0 HZ1 LYS A 52 26.576 -7.210 1.172 1.00 3.19 H new ATOM 0 HZ2 LYS A 52 25.738 -6.857 -0.262 1.00 3.19 H new ATOM 0 HZ3 LYS A 52 26.636 -5.644 0.517 1.00 3.19 H new ATOM 757 N PRO A 53 18.703 -5.415 2.525 1.00 1.54 N ATOM 758 CA PRO A 53 18.022 -5.622 3.799 1.00 1.53 C ATOM 759 C PRO A 53 17.336 -6.969 3.907 1.00 1.70 C ATOM 760 O PRO A 53 16.354 -7.230 3.211 1.00 2.18 O ATOM 761 CB PRO A 53 16.959 -4.527 3.819 1.00 1.31 C ATOM 762 CG PRO A 53 16.655 -4.263 2.384 1.00 1.55 C ATOM 763 CD PRO A 53 17.912 -4.574 1.607 1.00 1.49 C ATOM 0 HA PRO A 53 18.735 -5.591 4.623 1.00 1.53 H new ATOM 0 HB2 PRO A 53 16.069 -4.850 4.359 1.00 1.31 H new ATOM 0 HB3 PRO A 53 17.325 -3.629 4.317 1.00 1.31 H new ATOM 0 HG2 PRO A 53 15.827 -4.884 2.044 1.00 1.55 H new ATOM 0 HG3 PRO A 53 16.356 -3.225 2.237 1.00 1.55 H new ATOM 0 HD2 PRO A 53 17.687 -5.099 0.679 1.00 1.49 H new ATOM 0 HD3 PRO A 53 18.449 -3.665 1.337 1.00 1.49 H new ATOM 771 N TYR A 54 17.806 -7.801 4.830 1.00 1.87 N ATOM 772 CA TYR A 54 17.164 -9.083 5.060 1.00 2.10 C ATOM 773 C TYR A 54 15.721 -8.815 5.481 1.00 1.75 C ATOM 774 O TYR A 54 14.839 -9.665 5.346 1.00 2.06 O ATOM 775 CB TYR A 54 17.906 -9.873 6.138 1.00 2.60 C ATOM 776 CG TYR A 54 19.398 -9.969 5.894 1.00 3.05 C ATOM 777 CD1 TYR A 54 19.896 -10.616 4.769 1.00 3.73 C ATOM 778 CD2 TYR A 54 20.304 -9.413 6.786 1.00 3.32 C ATOM 779 CE1 TYR A 54 21.256 -10.705 4.543 1.00 4.38 C ATOM 780 CE2 TYR A 54 21.666 -9.497 6.566 1.00 3.91 C ATOM 781 CZ TYR A 54 22.137 -10.145 5.444 1.00 4.33 C ATOM 782 OH TYR A 54 23.492 -10.232 5.221 1.00 5.08 O ATOM 0 H TYR A 54 18.616 -7.613 5.421 1.00 1.87 H new ATOM 0 HA TYR A 54 17.183 -9.682 4.150 1.00 2.10 H new ATOM 0 HB2 TYR A 54 17.733 -9.403 7.106 1.00 2.60 H new ATOM 0 HB3 TYR A 54 17.489 -10.879 6.193 1.00 2.60 H new ATOM 0 HD1 TYR A 54 19.209 -11.056 4.061 1.00 3.73 H new ATOM 0 HD2 TYR A 54 19.939 -8.906 7.667 1.00 3.32 H new ATOM 0 HE1 TYR A 54 21.628 -11.211 3.664 1.00 4.38 H new ATOM 0 HE2 TYR A 54 22.358 -9.057 7.269 1.00 3.91 H new ATOM 0 HH TYR A 54 23.973 -9.786 5.949 1.00 5.08 H new ATOM 792 N GLU A 55 15.505 -7.591 5.973 1.00 1.38 N ATOM 793 CA GLU A 55 14.198 -7.125 6.403 1.00 1.41 C ATOM 794 C GLU A 55 14.273 -5.635 6.725 1.00 1.82 C ATOM 795 O GLU A 55 14.884 -5.235 7.716 1.00 2.76 O ATOM 796 CB GLU A 55 13.715 -7.916 7.623 1.00 1.83 C ATOM 797 CG GLU A 55 12.260 -8.343 7.538 1.00 2.25 C ATOM 798 CD GLU A 55 11.956 -9.542 8.414 1.00 2.84 C ATOM 799 OE1 GLU A 55 11.877 -9.372 9.650 1.00 3.23 O ATOM 800 OE2 GLU A 55 11.795 -10.654 7.865 1.00 3.44 O ATOM 0 H GLU A 55 16.243 -6.896 6.082 1.00 1.38 H new ATOM 0 HA GLU A 55 13.481 -7.283 5.598 1.00 1.41 H new ATOM 0 HB2 GLU A 55 14.338 -8.803 7.740 1.00 1.83 H new ATOM 0 HB3 GLU A 55 13.854 -7.308 8.517 1.00 1.83 H new ATOM 0 HG2 GLU A 55 11.622 -7.510 7.833 1.00 2.25 H new ATOM 0 HG3 GLU A 55 12.014 -8.581 6.503 1.00 2.25 H new ATOM 807 N GLU A 56 13.665 -4.818 5.870 1.00 1.48 N ATOM 808 CA GLU A 56 13.686 -3.371 6.057 1.00 2.23 C ATOM 809 C GLU A 56 12.557 -2.716 5.268 1.00 1.95 C ATOM 810 O GLU A 56 11.472 -3.284 5.151 1.00 2.10 O ATOM 811 CB GLU A 56 15.049 -2.808 5.639 1.00 3.00 C ATOM 812 CG GLU A 56 15.474 -1.585 6.435 1.00 3.90 C ATOM 813 CD GLU A 56 16.439 -0.700 5.670 1.00 4.81 C ATOM 814 OE1 GLU A 56 17.508 -1.201 5.264 1.00 5.23 O ATOM 815 OE2 GLU A 56 16.126 0.494 5.477 1.00 5.45 O ATOM 0 H GLU A 56 13.154 -5.131 5.045 1.00 1.48 H new ATOM 0 HA GLU A 56 13.531 -3.147 7.112 1.00 2.23 H new ATOM 0 HB2 GLU A 56 15.804 -3.586 5.753 1.00 3.00 H new ATOM 0 HB3 GLU A 56 15.016 -2.549 4.581 1.00 3.00 H new ATOM 0 HG2 GLU A 56 14.591 -1.006 6.704 1.00 3.90 H new ATOM 0 HG3 GLU A 56 15.941 -1.906 7.366 1.00 3.90 H new ATOM 822 N VAL A 57 12.797 -1.519 4.735 1.00 1.67 N ATOM 823 CA VAL A 57 11.757 -0.825 3.980 1.00 1.42 C ATOM 824 C VAL A 57 12.236 -0.405 2.594 1.00 1.40 C ATOM 825 O VAL A 57 13.267 0.251 2.446 1.00 1.59 O ATOM 826 CB VAL A 57 11.263 0.428 4.730 1.00 1.41 C ATOM 827 CG1 VAL A 57 10.030 1.017 4.054 1.00 1.30 C ATOM 828 CG2 VAL A 57 10.976 0.101 6.188 1.00 1.54 C ATOM 0 H VAL A 57 13.683 -1.019 4.809 1.00 1.67 H new ATOM 0 HA VAL A 57 10.938 -1.536 3.870 1.00 1.42 H new ATOM 0 HB VAL A 57 12.054 1.177 4.697 1.00 1.41 H new ATOM 0 HG11 VAL A 57 9.701 1.900 4.602 1.00 1.30 H new ATOM 0 HG12 VAL A 57 10.275 1.297 3.029 1.00 1.30 H new ATOM 0 HG13 VAL A 57 9.230 0.276 4.046 1.00 1.30 H new ATOM 0 HG21 VAL A 57 10.629 0.998 6.700 1.00 1.54 H new ATOM 0 HG22 VAL A 57 10.207 -0.670 6.244 1.00 1.54 H new ATOM 0 HG23 VAL A 57 11.887 -0.260 6.666 1.00 1.54 H new ATOM 838 N THR A 58 11.450 -0.765 1.587 1.00 1.27 N ATOM 839 CA THR A 58 11.742 -0.414 0.202 1.00 1.34 C ATOM 840 C THR A 58 10.649 0.516 -0.306 1.00 1.12 C ATOM 841 O THR A 58 9.549 0.523 0.241 1.00 1.30 O ATOM 842 CB THR A 58 11.821 -1.667 -0.671 1.00 1.50 C ATOM 843 OG1 THR A 58 12.339 -2.759 0.068 1.00 2.10 O ATOM 844 CG2 THR A 58 12.691 -1.487 -1.897 1.00 1.84 C ATOM 0 H THR A 58 10.594 -1.307 1.706 1.00 1.27 H new ATOM 0 HA THR A 58 12.709 0.087 0.152 1.00 1.34 H new ATOM 0 HB THR A 58 10.799 -1.860 -0.996 1.00 1.50 H new ATOM 0 HG1 THR A 58 12.381 -3.552 -0.506 1.00 2.10 H new ATOM 0 HG21 THR A 58 12.704 -2.412 -2.473 1.00 1.84 H new ATOM 0 HG22 THR A 58 12.290 -0.682 -2.513 1.00 1.84 H new ATOM 0 HG23 THR A 58 13.706 -1.237 -1.589 1.00 1.84 H new ATOM 852 N CYS A 59 10.938 1.318 -1.327 1.00 0.96 N ATOM 853 CA CYS A 59 9.929 2.248 -1.830 1.00 0.91 C ATOM 854 C CYS A 59 10.309 2.854 -3.180 1.00 0.85 C ATOM 855 O CYS A 59 11.202 2.366 -3.872 1.00 0.97 O ATOM 856 CB CYS A 59 9.717 3.365 -0.804 1.00 1.12 C ATOM 857 SG CYS A 59 11.241 3.916 0.024 1.00 1.76 S ATOM 0 H CYS A 59 11.835 1.345 -1.811 1.00 0.96 H new ATOM 0 HA CYS A 59 9.008 1.685 -1.980 1.00 0.91 H new ATOM 0 HB2 CYS A 59 9.259 4.219 -1.303 1.00 1.12 H new ATOM 0 HB3 CYS A 59 9.011 3.020 -0.049 1.00 1.12 H new ATOM 862 N CYS A 60 9.618 3.940 -3.532 1.00 0.81 N ATOM 863 CA CYS A 60 9.865 4.649 -4.783 1.00 0.92 C ATOM 864 C CYS A 60 9.296 6.067 -4.712 1.00 1.07 C ATOM 865 O CYS A 60 8.155 6.269 -4.294 1.00 1.18 O ATOM 866 CB CYS A 60 9.254 3.896 -5.972 1.00 1.06 C ATOM 867 SG CYS A 60 7.697 3.022 -5.598 1.00 1.28 S ATOM 0 H CYS A 60 8.878 4.348 -2.961 1.00 0.81 H new ATOM 0 HA CYS A 60 10.943 4.706 -4.931 1.00 0.92 H new ATOM 0 HB2 CYS A 60 9.072 4.605 -6.780 1.00 1.06 H new ATOM 0 HB3 CYS A 60 9.982 3.173 -6.340 1.00 1.06 H new ATOM 872 N SER A 61 10.105 7.044 -5.116 1.00 1.42 N ATOM 873 CA SER A 61 9.693 8.447 -5.097 1.00 1.75 C ATOM 874 C SER A 61 8.622 8.714 -6.146 1.00 1.50 C ATOM 875 O SER A 61 8.920 9.170 -7.250 1.00 2.04 O ATOM 876 CB SER A 61 10.900 9.354 -5.343 1.00 2.45 C ATOM 877 OG SER A 61 11.349 9.254 -6.683 1.00 3.07 O ATOM 0 H SER A 61 11.052 6.890 -5.461 1.00 1.42 H new ATOM 0 HA SER A 61 9.274 8.665 -4.114 1.00 1.75 H new ATOM 0 HB2 SER A 61 10.633 10.387 -5.122 1.00 2.45 H new ATOM 0 HB3 SER A 61 11.708 9.081 -4.664 1.00 2.45 H new ATOM 0 HG SER A 61 10.610 9.463 -7.292 1.00 3.07 H new ATOM 883 N THR A 62 7.373 8.426 -5.797 1.00 1.19 N ATOM 884 CA THR A 62 6.260 8.632 -6.710 1.00 1.51 C ATOM 885 C THR A 62 4.921 8.516 -5.978 1.00 1.17 C ATOM 886 O THR A 62 4.835 8.740 -4.769 1.00 1.76 O ATOM 887 CB THR A 62 6.327 7.622 -7.863 1.00 2.24 C ATOM 888 OG1 THR A 62 7.622 7.056 -7.973 1.00 2.63 O ATOM 889 CG2 THR A 62 5.974 8.224 -9.205 1.00 3.17 C ATOM 0 H THR A 62 7.108 8.049 -4.887 1.00 1.19 H new ATOM 0 HA THR A 62 6.336 9.640 -7.118 1.00 1.51 H new ATOM 0 HB THR A 62 5.588 6.860 -7.615 1.00 2.24 H new ATOM 0 HG1 THR A 62 7.637 6.415 -8.714 1.00 2.63 H new ATOM 0 HG21 THR A 62 6.041 7.457 -9.977 1.00 3.17 H new ATOM 0 HG22 THR A 62 4.958 8.617 -9.171 1.00 3.17 H new ATOM 0 HG23 THR A 62 6.668 9.032 -9.435 1.00 3.17 H new ATOM 897 N ASP A 63 3.882 8.164 -6.726 1.00 1.15 N ATOM 898 CA ASP A 63 2.535 8.008 -6.184 1.00 1.03 C ATOM 899 C ASP A 63 2.313 6.577 -5.719 1.00 1.09 C ATOM 900 O ASP A 63 3.209 5.974 -5.131 1.00 1.65 O ATOM 901 CB ASP A 63 1.501 8.402 -7.249 1.00 1.37 C ATOM 902 CG ASP A 63 1.800 9.744 -7.893 1.00 1.72 C ATOM 903 OD1 ASP A 63 2.990 10.049 -8.114 1.00 2.35 O ATOM 904 OD2 ASP A 63 0.840 10.490 -8.180 1.00 2.19 O ATOM 0 H ASP A 63 3.948 7.978 -7.727 1.00 1.15 H new ATOM 0 HA ASP A 63 2.418 8.664 -5.322 1.00 1.03 H new ATOM 0 HB2 ASP A 63 1.470 7.633 -8.021 1.00 1.37 H new ATOM 0 HB3 ASP A 63 0.512 8.436 -6.793 1.00 1.37 H new ATOM 909 N LYS A 64 1.126 6.032 -5.982 1.00 0.90 N ATOM 910 CA LYS A 64 0.817 4.665 -5.596 1.00 0.95 C ATOM 911 C LYS A 64 1.687 3.699 -6.389 1.00 0.92 C ATOM 912 O LYS A 64 1.189 2.863 -7.143 1.00 1.04 O ATOM 913 CB LYS A 64 -0.666 4.363 -5.834 1.00 1.17 C ATOM 914 CG LYS A 64 -1.123 4.640 -7.257 1.00 1.41 C ATOM 915 CD LYS A 64 -2.483 4.021 -7.536 1.00 1.82 C ATOM 916 CE LYS A 64 -2.551 3.434 -8.937 1.00 2.05 C ATOM 917 NZ LYS A 64 -2.746 4.489 -9.971 1.00 2.31 N ATOM 0 H LYS A 64 0.367 6.518 -6.460 1.00 0.90 H new ATOM 0 HA LYS A 64 1.025 4.542 -4.533 1.00 0.95 H new ATOM 0 HB2 LYS A 64 -0.858 3.316 -5.597 1.00 1.17 H new ATOM 0 HB3 LYS A 64 -1.265 4.960 -5.146 1.00 1.17 H new ATOM 0 HG2 LYS A 64 -1.171 5.716 -7.422 1.00 1.41 H new ATOM 0 HG3 LYS A 64 -0.390 4.243 -7.959 1.00 1.41 H new ATOM 0 HD2 LYS A 64 -2.686 3.240 -6.803 1.00 1.82 H new ATOM 0 HD3 LYS A 64 -3.259 4.777 -7.419 1.00 1.82 H new ATOM 0 HE2 LYS A 64 -1.632 2.886 -9.146 1.00 2.05 H new ATOM 0 HE3 LYS A 64 -3.370 2.717 -8.991 1.00 2.05 H new ATOM 0 HZ1 LYS A 64 -2.787 4.049 -10.912 1.00 2.31 H new ATOM 0 HZ2 LYS A 64 -3.635 4.996 -9.786 1.00 2.31 H new ATOM 0 HZ3 LYS A 64 -1.952 5.160 -9.937 1.00 2.31 H new ATOM 931 N CYS A 65 2.995 3.844 -6.221 1.00 0.87 N ATOM 932 CA CYS A 65 3.967 3.012 -6.917 1.00 0.95 C ATOM 933 C CYS A 65 4.291 1.741 -6.122 1.00 0.99 C ATOM 934 O CYS A 65 4.974 0.847 -6.624 1.00 1.20 O ATOM 935 CB CYS A 65 5.238 3.840 -7.172 1.00 1.07 C ATOM 936 SG CYS A 65 6.773 2.879 -7.401 1.00 1.10 S ATOM 0 H CYS A 65 3.411 4.539 -5.601 1.00 0.87 H new ATOM 0 HA CYS A 65 3.543 2.690 -7.868 1.00 0.95 H new ATOM 0 HB2 CYS A 65 5.079 4.453 -8.059 1.00 1.07 H new ATOM 0 HB3 CYS A 65 5.380 4.523 -6.334 1.00 1.07 H new ATOM 941 N ASN A 66 3.810 1.659 -4.881 1.00 0.97 N ATOM 942 CA ASN A 66 4.082 0.491 -4.048 1.00 1.10 C ATOM 943 C ASN A 66 2.848 -0.395 -3.770 1.00 1.10 C ATOM 944 O ASN A 66 2.882 -1.209 -2.848 1.00 1.36 O ATOM 945 CB ASN A 66 4.723 0.940 -2.728 1.00 1.36 C ATOM 946 CG ASN A 66 3.710 1.222 -1.631 1.00 1.42 C ATOM 947 OD1 ASN A 66 3.730 0.577 -0.584 1.00 2.26 O ATOM 948 ND2 ASN A 66 2.823 2.187 -1.866 1.00 1.30 N ATOM 0 H ASN A 66 3.238 2.377 -4.437 1.00 0.97 H new ATOM 0 HA ASN A 66 4.769 -0.137 -4.616 1.00 1.10 H new ATOM 0 HB2 ASN A 66 5.412 0.168 -2.386 1.00 1.36 H new ATOM 0 HB3 ASN A 66 5.314 1.838 -2.907 1.00 1.36 H new ATOM 0 HD21 ASN A 66 2.122 2.418 -1.162 1.00 1.30 H new ATOM 0 HD22 ASN A 66 2.845 2.696 -2.750 1.00 1.30 H new ATOM 955 N PRO A 67 1.751 -0.277 -4.549 1.00 1.16 N ATOM 956 CA PRO A 67 0.561 -1.105 -4.336 1.00 1.40 C ATOM 957 C PRO A 67 0.904 -2.591 -4.289 1.00 1.32 C ATOM 958 O PRO A 67 0.935 -3.260 -5.322 1.00 2.15 O ATOM 959 CB PRO A 67 -0.325 -0.814 -5.551 1.00 1.82 C ATOM 960 CG PRO A 67 0.164 0.476 -6.117 1.00 1.96 C ATOM 961 CD PRO A 67 1.591 0.645 -5.678 1.00 1.39 C ATOM 0 HA PRO A 67 0.081 -0.876 -3.385 1.00 1.40 H new ATOM 0 HB2 PRO A 67 -0.253 -1.615 -6.287 1.00 1.82 H new ATOM 0 HB3 PRO A 67 -1.373 -0.740 -5.261 1.00 1.82 H new ATOM 0 HG2 PRO A 67 0.095 0.469 -7.205 1.00 1.96 H new ATOM 0 HG3 PRO A 67 -0.447 1.307 -5.764 1.00 1.96 H new ATOM 0 HD2 PRO A 67 2.283 0.405 -6.485 1.00 1.39 H new ATOM 0 HD3 PRO A 67 1.793 1.674 -5.380 1.00 1.39 H new ATOM 969 N HIS A 68 1.167 -3.103 -3.093 1.00 1.17 N ATOM 970 CA HIS A 68 1.511 -4.512 -2.933 1.00 1.35 C ATOM 971 C HIS A 68 0.326 -5.428 -3.252 1.00 1.64 C ATOM 972 O HIS A 68 0.521 -6.541 -3.741 1.00 1.88 O ATOM 973 CB HIS A 68 2.037 -4.785 -1.517 1.00 1.54 C ATOM 974 CG HIS A 68 1.000 -4.671 -0.440 1.00 1.41 C ATOM 975 ND1 HIS A 68 -0.122 -5.472 -0.383 1.00 1.87 N ATOM 976 CD2 HIS A 68 0.924 -3.847 0.631 1.00 1.36 C ATOM 977 CE1 HIS A 68 -0.841 -5.142 0.675 1.00 2.07 C ATOM 978 NE2 HIS A 68 -0.227 -4.160 1.307 1.00 1.71 N ATOM 0 H HIS A 68 1.149 -2.569 -2.224 1.00 1.17 H new ATOM 0 HA HIS A 68 2.301 -4.737 -3.649 1.00 1.35 H new ATOM 0 HB2 HIS A 68 2.465 -5.787 -1.488 1.00 1.54 H new ATOM 0 HB3 HIS A 68 2.846 -4.087 -1.302 1.00 1.54 H new ATOM 0 HD1 HIS A 68 -0.359 -6.204 -1.053 1.00 1.87 H new ATOM 0 HD2 HIS A 68 1.638 -3.084 0.903 1.00 1.36 H new ATOM 0 HE1 HIS A 68 -1.773 -5.599 0.972 1.00 2.07 H new ATOM 987 N PRO A 69 -0.921 -4.991 -2.985 1.00 2.29 N ATOM 988 CA PRO A 69 -2.107 -5.792 -3.252 1.00 2.71 C ATOM 989 C PRO A 69 -2.718 -5.493 -4.617 1.00 2.34 C ATOM 990 O PRO A 69 -2.675 -4.358 -5.093 1.00 3.02 O ATOM 991 CB PRO A 69 -3.047 -5.349 -2.137 1.00 3.76 C ATOM 992 CG PRO A 69 -2.700 -3.914 -1.885 1.00 4.04 C ATOM 993 CD PRO A 69 -1.293 -3.691 -2.399 1.00 3.10 C ATOM 0 HA PRO A 69 -1.898 -6.862 -3.273 1.00 2.71 H new ATOM 0 HB2 PRO A 69 -4.090 -5.457 -2.434 1.00 3.76 H new ATOM 0 HB3 PRO A 69 -2.907 -5.952 -1.240 1.00 3.76 H new ATOM 0 HG2 PRO A 69 -3.403 -3.254 -2.393 1.00 4.04 H new ATOM 0 HG3 PRO A 69 -2.761 -3.686 -0.821 1.00 4.04 H new ATOM 0 HD2 PRO A 69 -1.260 -2.894 -3.142 1.00 3.10 H new ATOM 0 HD3 PRO A 69 -0.614 -3.406 -1.595 1.00 3.10 H new ATOM 1001 N LYS A 70 -3.292 -6.518 -5.242 1.00 2.00 N ATOM 1002 CA LYS A 70 -3.918 -6.367 -6.551 1.00 2.33 C ATOM 1003 C LYS A 70 -2.894 -5.971 -7.610 1.00 2.26 C ATOM 1004 O LYS A 70 -2.110 -5.041 -7.415 1.00 2.99 O ATOM 1005 CB LYS A 70 -5.035 -5.322 -6.490 1.00 3.09 C ATOM 1006 CG LYS A 70 -5.768 -5.138 -7.809 1.00 3.73 C ATOM 1007 CD LYS A 70 -5.570 -3.739 -8.375 1.00 4.47 C ATOM 1008 CE LYS A 70 -6.895 -3.098 -8.758 1.00 5.07 C ATOM 1009 NZ LYS A 70 -7.176 -3.232 -10.215 1.00 5.67 N ATOM 0 H LYS A 70 -3.336 -7.463 -4.861 1.00 2.00 H new ATOM 0 HA LYS A 70 -4.344 -7.331 -6.830 1.00 2.33 H new ATOM 0 HB2 LYS A 70 -5.752 -5.613 -5.723 1.00 3.09 H new ATOM 0 HB3 LYS A 70 -4.611 -4.366 -6.183 1.00 3.09 H new ATOM 0 HG2 LYS A 70 -5.412 -5.875 -8.529 1.00 3.73 H new ATOM 0 HG3 LYS A 70 -6.832 -5.324 -7.663 1.00 3.73 H new ATOM 0 HD2 LYS A 70 -5.063 -3.116 -7.638 1.00 4.47 H new ATOM 0 HD3 LYS A 70 -4.922 -3.788 -9.250 1.00 4.47 H new ATOM 0 HE2 LYS A 70 -7.701 -3.562 -8.189 1.00 5.07 H new ATOM 0 HE3 LYS A 70 -6.880 -2.042 -8.487 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 -8.088 -2.783 -10.436 1.00 5.67 H new ATOM 0 HZ2 LYS A 70 -6.421 -2.768 -10.758 1.00 5.67 H new ATOM 0 HZ3 LYS A 70 -7.216 -4.240 -10.470 1.00 5.67 H new ATOM 1023 N GLN A 71 -2.911 -6.683 -8.730 1.00 2.06 N ATOM 1024 CA GLN A 71 -1.989 -6.410 -9.827 1.00 2.50 C ATOM 1025 C GLN A 71 -2.742 -6.291 -11.148 1.00 1.86 C ATOM 1026 O GLN A 71 -3.970 -6.213 -11.169 1.00 2.31 O ATOM 1027 CB GLN A 71 -0.935 -7.515 -9.922 1.00 3.57 C ATOM 1028 CG GLN A 71 0.463 -6.999 -10.221 1.00 4.33 C ATOM 1029 CD GLN A 71 1.530 -7.697 -9.401 1.00 5.35 C ATOM 1030 OE1 GLN A 71 1.731 -7.387 -8.227 1.00 5.85 O ATOM 1031 NE2 GLN A 71 2.222 -8.648 -10.017 1.00 6.01 N ATOM 0 H GLN A 71 -3.554 -7.455 -8.903 1.00 2.06 H new ATOM 0 HA GLN A 71 -1.491 -5.462 -9.626 1.00 2.50 H new ATOM 0 HB2 GLN A 71 -0.916 -8.069 -8.983 1.00 3.57 H new ATOM 0 HB3 GLN A 71 -1.228 -8.219 -10.701 1.00 3.57 H new ATOM 0 HG2 GLN A 71 0.678 -7.135 -11.281 1.00 4.33 H new ATOM 0 HG3 GLN A 71 0.501 -5.928 -10.023 1.00 4.33 H new ATOM 0 HE21 GLN A 71 2.023 -8.874 -10.992 1.00 6.01 H new ATOM 0 HE22 GLN A 71 2.953 -9.153 -9.516 1.00 6.01 H new ATOM 1040 N ARG A 72 -1.999 -6.277 -12.250 1.00 1.67 N ATOM 1041 CA ARG A 72 -2.602 -6.167 -13.575 1.00 1.59 C ATOM 1042 C ARG A 72 -2.197 -7.347 -14.459 1.00 1.44 C ATOM 1043 O ARG A 72 -1.010 -7.612 -14.646 1.00 1.86 O ATOM 1044 CB ARG A 72 -2.185 -4.854 -14.239 1.00 2.48 C ATOM 1045 CG ARG A 72 -3.267 -4.247 -15.119 1.00 3.28 C ATOM 1046 CD ARG A 72 -2.789 -4.065 -16.552 1.00 4.14 C ATOM 1047 NE ARG A 72 -3.258 -2.808 -17.129 1.00 4.72 N ATOM 1048 CZ ARG A 72 -2.727 -1.621 -16.847 1.00 5.47 C ATOM 1049 NH1 ARG A 72 -1.711 -1.524 -15.998 1.00 5.75 N ATOM 1050 NH2 ARG A 72 -3.213 -0.526 -17.417 1.00 6.26 N ATOM 0 H ARG A 72 -0.981 -6.340 -12.253 1.00 1.67 H new ATOM 0 HA ARG A 72 -3.685 -6.180 -13.456 1.00 1.59 H new ATOM 0 HB2 ARG A 72 -1.912 -4.136 -13.466 1.00 2.48 H new ATOM 0 HB3 ARG A 72 -1.293 -5.028 -14.841 1.00 2.48 H new ATOM 0 HG2 ARG A 72 -4.148 -4.889 -15.108 1.00 3.28 H new ATOM 0 HG3 ARG A 72 -3.570 -3.283 -14.711 1.00 3.28 H new ATOM 0 HD2 ARG A 72 -1.700 -4.091 -16.577 1.00 4.14 H new ATOM 0 HD3 ARG A 72 -3.142 -4.897 -17.161 1.00 4.14 H new ATOM 0 HE ARG A 72 -4.037 -2.842 -17.786 1.00 4.72 H new ATOM 0 HH11 ARG A 72 -1.333 -2.363 -15.557 1.00 5.75 H new ATOM 0 HH12 ARG A 72 -1.309 -0.611 -15.786 1.00 5.75 H new ATOM 0 HH21 ARG A 72 -3.993 -0.595 -18.071 1.00 6.26 H new ATOM 0 HH22 ARG A 72 -2.807 0.384 -17.201 1.00 6.26 H new ATOM 1064 N PRO A 73 -3.182 -8.074 -15.021 1.00 2.17 N ATOM 1065 CA PRO A 73 -2.915 -9.226 -15.887 1.00 2.96 C ATOM 1066 C PRO A 73 -2.429 -8.813 -17.271 1.00 2.97 C ATOM 1067 O PRO A 73 -3.211 -8.346 -18.100 1.00 3.20 O ATOM 1068 CB PRO A 73 -4.274 -9.916 -15.982 1.00 4.03 C ATOM 1069 CG PRO A 73 -5.264 -8.818 -15.803 1.00 4.11 C ATOM 1070 CD PRO A 73 -4.630 -7.835 -14.856 1.00 3.05 C ATOM 0 HA PRO A 73 -2.124 -9.861 -15.488 1.00 2.96 H new ATOM 0 HB2 PRO A 73 -4.401 -10.412 -16.944 1.00 4.03 H new ATOM 0 HB3 PRO A 73 -4.386 -10.680 -15.213 1.00 4.03 H new ATOM 0 HG2 PRO A 73 -5.498 -8.345 -16.757 1.00 4.11 H new ATOM 0 HG3 PRO A 73 -6.201 -9.200 -15.398 1.00 4.11 H new ATOM 0 HD2 PRO A 73 -4.897 -6.808 -15.106 1.00 3.05 H new ATOM 0 HD3 PRO A 73 -4.950 -8.006 -13.828 1.00 3.05 H new ATOM 1078 N GLY A 74 -1.134 -8.985 -17.516 1.00 3.36 N ATOM 1079 CA GLY A 74 -0.567 -8.624 -18.803 1.00 3.85 C ATOM 1080 C GLY A 74 0.019 -9.815 -19.534 1.00 4.53 C ATOM 1081 O GLY A 74 -0.143 -10.953 -19.042 1.00 5.10 O ATOM 1082 OXT GLY A 74 0.640 -9.612 -20.599 1.00 4.92 O ATOM 0 H GLY A 74 -0.467 -9.368 -16.846 1.00 3.36 H new ATOM 0 HA2 GLY A 74 -1.339 -8.167 -19.421 1.00 3.85 H new ATOM 0 HA3 GLY A 74 0.210 -7.874 -18.656 1.00 3.85 H new ATOM 1087 N ILE B 178 -10.116 -16.467 27.091 1.00 3.07 N ATOM 1088 CA ILE B 178 -8.784 -16.004 26.622 1.00 2.53 C ATOM 1089 C ILE B 178 -8.466 -16.560 25.236 1.00 2.20 C ATOM 1090 O ILE B 178 -7.784 -17.575 25.106 1.00 2.61 O ATOM 1091 CB ILE B 178 -7.670 -16.427 27.599 1.00 2.64 C ATOM 1092 CG1 ILE B 178 -8.016 -15.989 29.022 1.00 3.03 C ATOM 1093 CG2 ILE B 178 -6.333 -15.841 27.170 1.00 3.47 C ATOM 1094 CD1 ILE B 178 -8.863 -16.993 29.776 1.00 3.49 C ATOM 0 HA ILE B 178 -8.824 -14.916 26.574 1.00 2.53 H new ATOM 0 HB ILE B 178 -7.589 -17.514 27.582 1.00 2.64 H new ATOM 0 HG12 ILE B 178 -7.093 -15.817 29.575 1.00 3.03 H new ATOM 0 HG13 ILE B 178 -8.545 -15.037 28.982 1.00 3.03 H new ATOM 0 HG21 ILE B 178 -5.558 -16.150 27.872 1.00 3.47 H new ATOM 0 HG22 ILE B 178 -6.082 -16.199 26.172 1.00 3.47 H new ATOM 0 HG23 ILE B 178 -6.399 -14.753 27.159 1.00 3.47 H new ATOM 0 HD11 ILE B 178 -9.069 -16.616 30.778 1.00 3.49 H new ATOM 0 HD12 ILE B 178 -9.803 -17.147 29.246 1.00 3.49 H new ATOM 0 HD13 ILE B 178 -8.327 -17.940 29.848 1.00 3.49 H new ATOM 1108 N PRO B 179 -8.960 -15.894 24.177 1.00 2.20 N ATOM 1109 CA PRO B 179 -8.725 -16.324 22.794 1.00 2.43 C ATOM 1110 C PRO B 179 -7.250 -16.264 22.417 1.00 2.12 C ATOM 1111 O PRO B 179 -6.393 -15.999 23.262 1.00 2.52 O ATOM 1112 CB PRO B 179 -9.531 -15.322 21.954 1.00 3.31 C ATOM 1113 CG PRO B 179 -10.476 -14.675 22.908 1.00 3.56 C ATOM 1114 CD PRO B 179 -9.784 -14.678 24.239 1.00 2.87 C ATOM 0 HA PRO B 179 -9.023 -17.361 22.638 1.00 2.43 H new ATOM 0 HB2 PRO B 179 -8.877 -14.585 21.488 1.00 3.31 H new ATOM 0 HB3 PRO B 179 -10.068 -15.826 21.150 1.00 3.31 H new ATOM 0 HG2 PRO B 179 -10.713 -13.659 22.594 1.00 3.56 H new ATOM 0 HG3 PRO B 179 -11.418 -15.222 22.956 1.00 3.56 H new ATOM 0 HD2 PRO B 179 -9.176 -13.785 24.380 1.00 2.87 H new ATOM 0 HD3 PRO B 179 -10.495 -14.713 25.064 1.00 2.87 H new ATOM 1122 N GLY B 180 -6.960 -16.507 21.144 1.00 2.20 N ATOM 1123 CA GLY B 180 -5.586 -16.473 20.676 1.00 2.49 C ATOM 1124 C GLY B 180 -5.240 -15.161 19.999 1.00 2.05 C ATOM 1125 O GLY B 180 -5.318 -15.048 18.776 1.00 2.79 O ATOM 0 H GLY B 180 -7.651 -16.727 20.427 1.00 2.20 H new ATOM 0 HA2 GLY B 180 -4.914 -16.633 21.519 1.00 2.49 H new ATOM 0 HA3 GLY B 180 -5.422 -17.294 19.978 1.00 2.49 H new ATOM 1129 N LYS B 181 -4.861 -14.168 20.796 1.00 1.68 N ATOM 1130 CA LYS B 181 -4.506 -12.856 20.266 1.00 2.16 C ATOM 1131 C LYS B 181 -3.086 -12.859 19.703 1.00 1.86 C ATOM 1132 O LYS B 181 -2.222 -12.111 20.160 1.00 2.39 O ATOM 1133 CB LYS B 181 -4.644 -11.791 21.355 1.00 3.11 C ATOM 1134 CG LYS B 181 -5.927 -10.978 21.251 1.00 3.99 C ATOM 1135 CD LYS B 181 -6.711 -10.991 22.555 1.00 4.80 C ATOM 1136 CE LYS B 181 -6.656 -9.642 23.252 1.00 5.59 C ATOM 1137 NZ LYS B 181 -6.655 -9.784 24.734 1.00 6.37 N ATOM 0 H LYS B 181 -4.792 -14.246 21.811 1.00 1.68 H new ATOM 0 HA LYS B 181 -5.192 -12.620 19.453 1.00 2.16 H new ATOM 0 HB2 LYS B 181 -4.608 -12.274 22.331 1.00 3.11 H new ATOM 0 HB3 LYS B 181 -3.790 -11.116 21.302 1.00 3.11 H new ATOM 0 HG2 LYS B 181 -5.685 -9.950 20.983 1.00 3.99 H new ATOM 0 HG3 LYS B 181 -6.548 -11.379 20.450 1.00 3.99 H new ATOM 0 HD2 LYS B 181 -7.749 -11.256 22.354 1.00 4.80 H new ATOM 0 HD3 LYS B 181 -6.308 -11.759 23.215 1.00 4.80 H new ATOM 0 HE2 LYS B 181 -5.760 -9.107 22.938 1.00 5.59 H new ATOM 0 HE3 LYS B 181 -7.511 -9.039 22.945 1.00 5.59 H new ATOM 0 HZ1 LYS B 181 -6.617 -8.842 25.173 1.00 6.37 H new ATOM 0 HZ2 LYS B 181 -7.522 -10.272 25.037 1.00 6.37 H new ATOM 0 HZ3 LYS B 181 -5.825 -10.337 25.029 1.00 6.37 H new ATOM 1151 N ARG B 182 -2.855 -13.703 18.703 1.00 1.81 N ATOM 1152 CA ARG B 182 -1.545 -13.802 18.069 1.00 1.93 C ATOM 1153 C ARG B 182 -1.638 -13.477 16.582 1.00 1.94 C ATOM 1154 O ARG B 182 -0.804 -13.913 15.788 1.00 2.65 O ATOM 1155 CB ARG B 182 -0.965 -15.205 18.257 1.00 2.78 C ATOM 1156 CG ARG B 182 -1.222 -15.797 19.633 1.00 3.51 C ATOM 1157 CD ARG B 182 -0.264 -16.936 19.935 1.00 4.27 C ATOM 1158 NE ARG B 182 -0.611 -18.154 19.206 1.00 4.96 N ATOM 1159 CZ ARG B 182 -1.650 -18.929 19.510 1.00 5.70 C ATOM 1160 NH1 ARG B 182 -2.449 -18.613 20.521 1.00 5.93 N ATOM 1161 NH2 ARG B 182 -1.892 -20.023 18.800 1.00 6.51 N ATOM 0 H ARG B 182 -3.559 -14.330 18.313 1.00 1.81 H new ATOM 0 HA ARG B 182 -0.884 -13.077 18.545 1.00 1.93 H new ATOM 0 HB2 ARG B 182 -1.389 -15.867 17.502 1.00 2.78 H new ATOM 0 HB3 ARG B 182 0.110 -15.170 18.082 1.00 2.78 H new ATOM 0 HG2 ARG B 182 -1.116 -15.020 20.390 1.00 3.51 H new ATOM 0 HG3 ARG B 182 -2.249 -16.159 19.689 1.00 3.51 H new ATOM 0 HD2 ARG B 182 0.751 -16.635 19.674 1.00 4.27 H new ATOM 0 HD3 ARG B 182 -0.271 -17.140 21.006 1.00 4.27 H new ATOM 0 HE ARG B 182 -0.023 -18.426 18.418 1.00 4.96 H new ATOM 0 HH11 ARG B 182 -2.269 -17.772 21.070 1.00 5.93 H new ATOM 0 HH12 ARG B 182 -3.243 -19.211 20.749 1.00 5.93 H new ATOM 0 HH21 ARG B 182 -1.282 -20.271 18.021 1.00 6.51 H new ATOM 0 HH22 ARG B 182 -2.688 -20.617 19.033 1.00 6.51 H new ATOM 1175 N THR B 183 -2.663 -12.716 16.209 1.00 2.03 N ATOM 1176 CA THR B 183 -2.872 -12.339 14.823 1.00 2.67 C ATOM 1177 C THR B 183 -2.594 -10.860 14.614 1.00 2.51 C ATOM 1178 O THR B 183 -1.563 -10.476 14.062 1.00 3.25 O ATOM 1179 CB THR B 183 -4.305 -12.684 14.407 1.00 3.75 C ATOM 1180 OG1 THR B 183 -4.951 -13.444 15.414 1.00 4.22 O ATOM 1181 CG2 THR B 183 -4.383 -13.476 13.121 1.00 4.70 C ATOM 0 H THR B 183 -3.363 -12.349 16.854 1.00 2.03 H new ATOM 0 HA THR B 183 -2.175 -12.898 14.198 1.00 2.67 H new ATOM 0 HB THR B 183 -4.798 -11.724 14.255 1.00 3.75 H new ATOM 0 HG1 THR B 183 -5.865 -13.653 15.130 1.00 4.22 H new ATOM 0 HG21 THR B 183 -5.426 -13.686 12.886 1.00 4.70 H new ATOM 0 HG22 THR B 183 -3.937 -12.899 12.311 1.00 4.70 H new ATOM 0 HG23 THR B 183 -3.842 -14.415 13.238 1.00 4.70 H new ATOM 1189 N GLU B 184 -3.533 -10.059 15.077 1.00 2.17 N ATOM 1190 CA GLU B 184 -3.476 -8.591 14.993 1.00 2.63 C ATOM 1191 C GLU B 184 -2.330 -8.087 14.112 1.00 1.99 C ATOM 1192 O GLU B 184 -1.386 -7.465 14.600 1.00 2.48 O ATOM 1193 CB GLU B 184 -3.350 -7.993 16.396 1.00 3.66 C ATOM 1194 CG GLU B 184 -4.681 -7.580 17.004 1.00 4.47 C ATOM 1195 CD GLU B 184 -4.520 -6.587 18.139 1.00 5.39 C ATOM 1196 OE1 GLU B 184 -3.571 -6.745 18.936 1.00 5.91 O ATOM 1197 OE2 GLU B 184 -5.343 -5.652 18.231 1.00 5.92 O ATOM 0 H GLU B 184 -4.378 -10.405 15.533 1.00 2.17 H new ATOM 0 HA GLU B 184 -4.405 -8.265 14.526 1.00 2.63 H new ATOM 0 HB2 GLU B 184 -2.872 -8.721 17.051 1.00 3.66 H new ATOM 0 HB3 GLU B 184 -2.694 -7.123 16.354 1.00 3.66 H new ATOM 0 HG2 GLU B 184 -5.310 -7.142 16.229 1.00 4.47 H new ATOM 0 HG3 GLU B 184 -5.199 -8.466 17.372 1.00 4.47 H new ATOM 1204 N SER B 185 -2.421 -8.354 12.813 1.00 1.62 N ATOM 1205 CA SER B 185 -1.397 -7.922 11.874 1.00 1.32 C ATOM 1206 C SER B 185 -1.944 -7.979 10.449 1.00 1.14 C ATOM 1207 O SER B 185 -3.156 -7.913 10.251 1.00 1.33 O ATOM 1208 CB SER B 185 -0.147 -8.796 12.026 1.00 1.85 C ATOM 1209 OG SER B 185 0.510 -8.530 13.254 1.00 2.53 O ATOM 0 H SER B 185 -3.194 -8.867 12.389 1.00 1.62 H new ATOM 0 HA SER B 185 -1.116 -6.891 12.089 1.00 1.32 H new ATOM 0 HB2 SER B 185 -0.426 -9.849 11.979 1.00 1.85 H new ATOM 0 HB3 SER B 185 0.535 -8.610 11.196 1.00 1.85 H new ATOM 0 HG SER B 185 0.013 -7.846 13.749 1.00 2.53 H new ATOM 1215 N PHE B 186 -1.067 -8.091 9.459 1.00 0.93 N ATOM 1216 CA PHE B 186 -1.507 -8.146 8.069 1.00 0.80 C ATOM 1217 C PHE B 186 -0.463 -8.807 7.193 1.00 0.66 C ATOM 1218 O PHE B 186 0.691 -8.962 7.589 1.00 0.75 O ATOM 1219 CB PHE B 186 -1.787 -6.739 7.553 1.00 0.92 C ATOM 1220 CG PHE B 186 -2.500 -6.698 6.227 1.00 0.83 C ATOM 1221 CD1 PHE B 186 -3.775 -7.229 6.085 1.00 1.35 C ATOM 1222 CD2 PHE B 186 -1.907 -6.096 5.124 1.00 1.48 C ATOM 1223 CE1 PHE B 186 -4.432 -7.155 4.883 1.00 1.33 C ATOM 1224 CE2 PHE B 186 -2.571 -6.011 3.930 1.00 1.51 C ATOM 1225 CZ PHE B 186 -3.830 -6.537 3.812 1.00 0.85 C ATOM 0 H PHE B 186 -0.057 -8.145 9.589 1.00 0.93 H new ATOM 0 HA PHE B 186 -2.421 -8.739 8.028 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -2.386 -6.206 8.291 1.00 0.92 H new ATOM 0 HB3 PHE B 186 -0.842 -6.203 7.462 1.00 0.92 H new ATOM 0 HD1 PHE B 186 -4.254 -7.704 6.928 1.00 1.35 H new ATOM 0 HD2 PHE B 186 -0.910 -5.690 5.210 1.00 1.48 H new ATOM 0 HE1 PHE B 186 -5.419 -7.581 4.778 1.00 1.33 H new ATOM 0 HE2 PHE B 186 -2.103 -5.530 3.083 1.00 1.51 H new ATOM 0 HZ PHE B 186 -4.354 -6.466 2.870 1.00 0.85 H new ATOM 1235 N TYR B 187 -0.875 -9.186 5.994 1.00 0.91 N ATOM 1236 CA TYR B 187 0.025 -9.817 5.055 1.00 1.05 C ATOM 1237 C TYR B 187 -0.043 -9.121 3.697 1.00 1.22 C ATOM 1238 O TYR B 187 -0.129 -7.896 3.638 1.00 1.44 O ATOM 1239 CB TYR B 187 -0.257 -11.324 4.982 1.00 1.25 C ATOM 1240 CG TYR B 187 0.995 -12.179 5.117 1.00 1.52 C ATOM 1241 CD1 TYR B 187 1.651 -12.317 6.342 1.00 2.13 C ATOM 1242 CD2 TYR B 187 1.519 -12.853 4.023 1.00 2.06 C ATOM 1243 CE1 TYR B 187 2.783 -13.102 6.455 1.00 2.51 C ATOM 1244 CE2 TYR B 187 2.649 -13.638 4.137 1.00 2.50 C ATOM 1245 CZ TYR B 187 3.276 -13.760 5.353 1.00 2.47 C ATOM 1246 OH TYR B 187 4.402 -14.542 5.468 1.00 3.02 O ATOM 0 H TYR B 187 -1.828 -9.066 5.652 1.00 0.91 H new ATOM 0 HA TYR B 187 1.053 -9.709 5.402 1.00 1.05 H new ATOM 0 HB2 TYR B 187 -0.959 -11.594 5.771 1.00 1.25 H new ATOM 0 HB3 TYR B 187 -0.742 -11.550 4.032 1.00 1.25 H new ATOM 0 HD1 TYR B 187 1.269 -11.804 7.212 1.00 2.13 H new ATOM 0 HD2 TYR B 187 1.033 -12.762 3.063 1.00 2.06 H new ATOM 0 HE1 TYR B 187 3.280 -13.199 7.409 1.00 2.51 H new ATOM 0 HE2 TYR B 187 3.039 -14.155 3.272 1.00 2.50 H new ATOM 0 HH TYR B 187 4.452 -14.912 6.374 1.00 3.02 H new ATOM 1256 N GLU B 188 0.023 -9.876 2.612 1.00 1.44 N ATOM 1257 CA GLU B 188 0.007 -9.286 1.282 1.00 1.78 C ATOM 1258 C GLU B 188 -1.281 -8.538 0.995 1.00 1.81 C ATOM 1259 O GLU B 188 -1.315 -7.706 0.092 1.00 2.15 O ATOM 1260 CB GLU B 188 0.224 -10.352 0.216 1.00 2.16 C ATOM 1261 CG GLU B 188 0.616 -9.784 -1.138 1.00 2.93 C ATOM 1262 CD GLU B 188 2.108 -9.548 -1.264 1.00 3.70 C ATOM 1263 OE1 GLU B 188 2.635 -8.682 -0.535 1.00 4.13 O ATOM 1264 OE2 GLU B 188 2.749 -10.230 -2.090 1.00 4.33 O ATOM 0 H GLU B 188 0.088 -10.894 2.625 1.00 1.44 H new ATOM 0 HA GLU B 188 0.825 -8.566 1.253 1.00 1.78 H new ATOM 0 HB2 GLU B 188 1.001 -11.038 0.552 1.00 2.16 H new ATOM 0 HB3 GLU B 188 -0.690 -10.936 0.106 1.00 2.16 H new ATOM 0 HG2 GLU B 188 0.293 -10.469 -1.922 1.00 2.93 H new ATOM 0 HG3 GLU B 188 0.089 -8.844 -1.299 1.00 2.93 H new ATOM 1271 N CYS B 189 -2.343 -8.815 1.753 1.00 1.58 N ATOM 1272 CA CYS B 189 -3.609 -8.118 1.520 1.00 1.74 C ATOM 1273 C CYS B 189 -4.786 -8.704 2.255 1.00 1.77 C ATOM 1274 O CYS B 189 -5.737 -7.994 2.589 1.00 1.94 O ATOM 1275 CB CYS B 189 -4.011 -8.157 0.031 1.00 2.02 C ATOM 1276 SG CYS B 189 -4.974 -9.660 -0.465 1.00 2.25 S ATOM 0 H CYS B 189 -2.355 -9.496 2.512 1.00 1.58 H new ATOM 0 HA CYS B 189 -3.408 -7.109 1.880 1.00 1.74 H new ATOM 0 HB2 CYS B 189 -4.603 -7.270 -0.196 1.00 2.02 H new ATOM 0 HB3 CYS B 189 -3.108 -8.102 -0.578 1.00 2.02 H new ATOM 1281 N CYS B 190 -4.810 -10.008 2.352 1.00 1.78 N ATOM 1282 CA CYS B 190 -5.993 -10.648 2.872 1.00 2.00 C ATOM 1283 C CYS B 190 -5.730 -11.989 3.552 1.00 2.10 C ATOM 1284 O CYS B 190 -6.598 -12.863 3.567 1.00 2.27 O ATOM 1285 CB CYS B 190 -6.946 -10.823 1.677 1.00 2.26 C ATOM 1286 SG CYS B 190 -6.833 -9.487 0.398 1.00 2.48 S ATOM 0 H CYS B 190 -4.049 -10.633 2.087 1.00 1.78 H new ATOM 0 HA CYS B 190 -6.417 -10.024 3.659 1.00 2.00 H new ATOM 0 HB2 CYS B 190 -6.739 -11.782 1.201 1.00 2.26 H new ATOM 0 HB3 CYS B 190 -7.970 -10.866 2.049 1.00 2.26 H new ATOM 1291 N LYS B 191 -4.554 -12.144 4.141 1.00 2.47 N ATOM 1292 CA LYS B 191 -4.221 -13.373 4.850 1.00 2.86 C ATOM 1293 C LYS B 191 -4.626 -13.228 6.303 1.00 2.35 C ATOM 1294 O LYS B 191 -3.809 -13.408 7.205 1.00 2.77 O ATOM 1295 CB LYS B 191 -2.719 -13.665 4.755 1.00 3.80 C ATOM 1296 CG LYS B 191 -2.397 -15.069 4.271 1.00 4.39 C ATOM 1297 CD LYS B 191 -0.950 -15.438 4.563 1.00 4.90 C ATOM 1298 CE LYS B 191 -0.851 -16.509 5.640 1.00 5.66 C ATOM 1299 NZ LYS B 191 -1.679 -17.702 5.317 1.00 6.10 N ATOM 0 H LYS B 191 -3.817 -11.439 4.143 1.00 2.47 H new ATOM 0 HA LYS B 191 -4.759 -14.204 4.394 1.00 2.86 H new ATOM 0 HB2 LYS B 191 -2.260 -12.943 4.079 1.00 3.80 H new ATOM 0 HB3 LYS B 191 -2.267 -13.516 5.735 1.00 3.80 H new ATOM 0 HG2 LYS B 191 -3.062 -15.784 4.756 1.00 4.39 H new ATOM 0 HG3 LYS B 191 -2.583 -15.138 3.199 1.00 4.39 H new ATOM 0 HD2 LYS B 191 -0.473 -15.794 3.650 1.00 4.90 H new ATOM 0 HD3 LYS B 191 -0.405 -14.550 4.881 1.00 4.90 H new ATOM 0 HE2 LYS B 191 0.190 -16.811 5.757 1.00 5.66 H new ATOM 0 HE3 LYS B 191 -1.171 -16.093 6.595 1.00 5.66 H new ATOM 0 HZ1 LYS B 191 -1.319 -18.526 5.839 1.00 6.10 H new ATOM 0 HZ2 LYS B 191 -2.666 -17.523 5.590 1.00 6.10 H new ATOM 0 HZ3 LYS B 191 -1.631 -17.892 4.296 1.00 6.10 H new ATOM 1313 N GLU B 192 -5.880 -12.852 6.538 1.00 1.95 N ATOM 1314 CA GLU B 192 -6.335 -12.637 7.901 1.00 2.22 C ATOM 1315 C GLU B 192 -5.387 -11.621 8.535 1.00 1.81 C ATOM 1316 O GLU B 192 -4.637 -10.964 7.815 1.00 2.43 O ATOM 1317 CB GLU B 192 -6.333 -13.961 8.681 1.00 3.14 C ATOM 1318 CG GLU B 192 -6.498 -15.196 7.806 1.00 3.77 C ATOM 1319 CD GLU B 192 -7.184 -16.340 8.529 1.00 4.68 C ATOM 1320 OE1 GLU B 192 -7.547 -16.165 9.711 1.00 5.28 O ATOM 1321 OE2 GLU B 192 -7.360 -17.412 7.911 1.00 5.13 O ATOM 0 H GLU B 192 -6.584 -12.693 5.817 1.00 1.95 H new ATOM 0 HA GLU B 192 -7.358 -12.260 7.918 1.00 2.22 H new ATOM 0 HB2 GLU B 192 -5.398 -14.043 9.235 1.00 3.14 H new ATOM 0 HB3 GLU B 192 -7.138 -13.939 9.416 1.00 3.14 H new ATOM 0 HG2 GLU B 192 -7.076 -14.933 6.920 1.00 3.77 H new ATOM 0 HG3 GLU B 192 -5.518 -15.525 7.461 1.00 3.77 H new ATOM 1328 N PRO B 193 -5.372 -11.462 9.863 1.00 1.51 N ATOM 1329 CA PRO B 193 -4.465 -10.512 10.500 1.00 1.90 C ATOM 1330 C PRO B 193 -3.004 -10.974 10.403 1.00 1.60 C ATOM 1331 O PRO B 193 -2.343 -11.142 11.426 1.00 1.96 O ATOM 1332 CB PRO B 193 -4.930 -10.477 11.967 1.00 2.66 C ATOM 1333 CG PRO B 193 -6.222 -11.228 12.008 1.00 2.76 C ATOM 1334 CD PRO B 193 -6.204 -12.171 10.841 1.00 1.99 C ATOM 0 HA PRO B 193 -4.495 -9.533 10.022 1.00 1.90 H new ATOM 0 HB2 PRO B 193 -4.190 -10.937 12.622 1.00 2.66 H new ATOM 0 HB3 PRO B 193 -5.064 -9.451 12.309 1.00 2.66 H new ATOM 0 HG2 PRO B 193 -6.324 -11.774 12.946 1.00 2.76 H new ATOM 0 HG3 PRO B 193 -7.070 -10.546 11.942 1.00 2.76 H new ATOM 0 HD2 PRO B 193 -5.778 -13.138 11.109 1.00 1.99 H new ATOM 0 HD3 PRO B 193 -7.207 -12.360 10.458 1.00 1.99 H new ATOM 1342 N TYR B 194 -2.512 -11.176 9.158 1.00 1.23 N ATOM 1343 CA TYR B 194 -1.133 -11.625 8.888 1.00 1.39 C ATOM 1344 C TYR B 194 -1.072 -13.134 8.610 1.00 1.45 C ATOM 1345 O TYR B 194 -0.749 -13.534 7.491 1.00 1.96 O ATOM 1346 CB TYR B 194 -0.158 -11.217 10.011 1.00 1.75 C ATOM 1347 CG TYR B 194 1.264 -11.723 9.846 1.00 1.52 C ATOM 1348 CD1 TYR B 194 1.561 -13.081 9.900 1.00 2.04 C ATOM 1349 CD2 TYR B 194 2.319 -10.835 9.656 1.00 1.91 C ATOM 1350 CE1 TYR B 194 2.857 -13.537 9.776 1.00 2.43 C ATOM 1351 CE2 TYR B 194 3.615 -11.287 9.527 1.00 2.18 C ATOM 1352 CZ TYR B 194 3.880 -12.638 9.589 1.00 2.27 C ATOM 1353 OH TYR B 194 5.172 -13.090 9.465 1.00 2.93 O ATOM 0 H TYR B 194 -3.065 -11.031 8.313 1.00 1.23 H new ATOM 0 HA TYR B 194 -0.807 -11.112 7.983 1.00 1.39 H new ATOM 0 HB2 TYR B 194 -0.135 -10.129 10.073 1.00 1.75 H new ATOM 0 HB3 TYR B 194 -0.549 -11.582 10.961 1.00 1.75 H new ATOM 0 HD1 TYR B 194 0.761 -13.792 10.042 1.00 2.04 H new ATOM 0 HD2 TYR B 194 2.119 -9.775 9.609 1.00 1.91 H new ATOM 0 HE1 TYR B 194 3.067 -14.595 9.826 1.00 2.43 H new ATOM 0 HE2 TYR B 194 4.421 -10.584 9.378 1.00 2.18 H new ATOM 0 HH TYR B 194 5.790 -12.412 9.809 1.00 2.93 H new ATOM 1363 N PRO B 195 -1.364 -14.009 9.601 1.00 1.87 N ATOM 1364 CA PRO B 195 -1.315 -15.455 9.406 1.00 2.22 C ATOM 1365 C PRO B 195 -2.659 -16.042 8.991 1.00 2.24 C ATOM 1366 O PRO B 195 -3.592 -15.315 8.659 1.00 2.85 O ATOM 1367 CB PRO B 195 -0.933 -15.944 10.794 1.00 3.25 C ATOM 1368 CG PRO B 195 -1.643 -15.009 11.713 1.00 3.64 C ATOM 1369 CD PRO B 195 -1.750 -13.682 10.988 1.00 2.77 C ATOM 0 HA PRO B 195 -0.631 -15.747 8.609 1.00 2.22 H new ATOM 0 HB2 PRO B 195 -1.246 -16.976 10.954 1.00 3.25 H new ATOM 0 HB3 PRO B 195 0.146 -15.911 10.946 1.00 3.25 H new ATOM 0 HG2 PRO B 195 -2.631 -15.392 11.967 1.00 3.64 H new ATOM 0 HG3 PRO B 195 -1.095 -14.896 12.649 1.00 3.64 H new ATOM 0 HD2 PRO B 195 -2.762 -13.279 11.038 1.00 2.77 H new ATOM 0 HD3 PRO B 195 -1.087 -12.934 11.422 1.00 2.77 H new ATOM 1377 N ASP B 196 -2.751 -17.368 9.020 1.00 2.52 N ATOM 1378 CA ASP B 196 -3.982 -18.057 8.653 1.00 3.36 C ATOM 1379 C ASP B 196 -4.848 -18.317 9.884 1.00 4.02 C ATOM 1380 O ASP B 196 -4.303 -18.288 11.007 1.00 4.44 O ATOM 1381 CB ASP B 196 -3.663 -19.378 7.953 1.00 3.87 C ATOM 1382 CG ASP B 196 -2.687 -20.230 8.739 1.00 4.51 C ATOM 1383 OD1 ASP B 196 -2.522 -19.981 9.951 1.00 4.88 O ATOM 1384 OD2 ASP B 196 -2.086 -21.149 8.141 1.00 5.03 O ATOM 0 H ASP B 196 -1.987 -17.986 9.294 1.00 2.52 H new ATOM 0 HA ASP B 196 -4.537 -17.416 7.968 1.00 3.36 H new ATOM 0 HB2 ASP B 196 -4.586 -19.937 7.800 1.00 3.87 H new ATOM 0 HB3 ASP B 196 -3.248 -19.172 6.967 1.00 3.87 H new