USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=27 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 27 MET CE :methyl 161:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 152:sc= -1.28 (180deg=-4.24!) USER MOD Set 2.1: A 4 HIS : no HE2:sc= -4.06 K(o=-17,f=-18!) USER MOD Set 2.2: A 66 ASN : amide:sc= -13! C(o=-17!,f=-27!) USER MOD Single : A 1 ILE N :NH3+ -109:sc= 0.0638 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 49:sc= 0.0484! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 15 THR OG1 : rot -54:sc= 1.19 USER MOD Single : A 21 ASN : amide:sc= -5.95 K(o=-5.9,f=-1.3) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0819 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 33:sc= -1.25 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.928 USER MOD Single : A 50 SER OG : rot -52:sc= 0.5! USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= -0.769 (180deg=-0.903) 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= -0.315 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.41! USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= -0.0423 (180deg=-0.399) USER MOD Single : A 68 HIS : no HE2:sc= -5.67! C(o=-5.7!,f=-7.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.2!) 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 180:sc= 0 USER MOD Single : B 187 TYR OH : rot -7:sc= 1.45 USER MOD Single : B 191 LYS NZ :NH3+ 160:sc= -0.242 (180deg=-0.979) USER MOD Single : B 194 TYR OH : rot -161:sc= 0.274 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.462 14.330 -4.424 1.00 1.46 N ATOM 2 CA ILE A 1 0.904 12.936 -4.686 1.00 1.08 C ATOM 3 C ILE A 1 0.016 11.936 -3.948 1.00 1.00 C ATOM 4 O ILE A 1 -0.619 12.275 -2.950 1.00 1.15 O ATOM 5 CB ILE A 1 2.379 12.731 -4.274 1.00 1.23 C ATOM 6 CG1 ILE A 1 2.963 11.500 -4.968 1.00 1.26 C ATOM 7 CG2 ILE A 1 2.512 12.607 -2.762 1.00 1.83 C ATOM 8 CD1 ILE A 1 4.376 11.706 -5.467 1.00 1.40 C ATOM 0 H1 ILE A 1 0.029 14.724 -5.284 1.00 1.46 H new ATOM 0 H2 ILE A 1 -0.235 14.334 -3.652 1.00 1.46 H new ATOM 0 H3 ILE A 1 1.282 14.909 -4.153 1.00 1.46 H new ATOM 0 HA ILE A 1 0.816 12.761 -5.758 1.00 1.08 H new ATOM 0 HB ILE A 1 2.944 13.608 -4.591 1.00 1.23 H new ATOM 0 HG12 ILE A 1 2.950 10.660 -4.274 1.00 1.26 H new ATOM 0 HG13 ILE A 1 2.324 11.229 -5.809 1.00 1.26 H new ATOM 0 HG21 ILE A 1 3.560 12.463 -2.500 1.00 1.83 H new ATOM 0 HG22 ILE A 1 2.140 13.516 -2.288 1.00 1.83 H new ATOM 0 HG23 ILE A 1 1.931 11.753 -2.414 1.00 1.83 H new ATOM 0 HD11 ILE A 1 4.728 10.794 -5.949 1.00 1.40 H new ATOM 0 HD12 ILE A 1 4.392 12.525 -6.186 1.00 1.40 H new ATOM 0 HD13 ILE A 1 5.027 11.948 -4.627 1.00 1.40 H new ATOM 22 N VAL A 2 -0.028 10.707 -4.449 1.00 0.90 N ATOM 23 CA VAL A 2 -0.844 9.663 -3.843 1.00 0.85 C ATOM 24 C VAL A 2 0.019 8.484 -3.397 1.00 0.77 C ATOM 25 O VAL A 2 1.120 8.285 -3.907 1.00 0.83 O ATOM 26 CB VAL A 2 -1.924 9.171 -4.830 1.00 0.88 C ATOM 27 CG1 VAL A 2 -1.285 8.503 -6.039 1.00 1.22 C ATOM 28 CG2 VAL A 2 -2.899 8.231 -4.141 1.00 1.68 C ATOM 0 H VAL A 2 0.493 10.409 -5.274 1.00 0.90 H new ATOM 0 HA VAL A 2 -1.332 10.092 -2.968 1.00 0.85 H new ATOM 0 HB VAL A 2 -2.485 10.038 -5.180 1.00 0.88 H new ATOM 0 HG11 VAL A 2 -2.064 8.164 -6.721 1.00 1.22 H new ATOM 0 HG12 VAL A 2 -0.640 9.217 -6.551 1.00 1.22 H new ATOM 0 HG13 VAL A 2 -0.692 7.649 -5.712 1.00 1.22 H new ATOM 0 HG21 VAL A 2 -3.651 7.898 -4.857 1.00 1.68 H new ATOM 0 HG22 VAL A 2 -2.359 7.367 -3.753 1.00 1.68 H new ATOM 0 HG23 VAL A 2 -3.388 8.753 -3.318 1.00 1.68 H new ATOM 38 N CYS A 3 -0.488 7.699 -2.449 1.00 0.75 N ATOM 39 CA CYS A 3 0.246 6.540 -1.954 1.00 0.70 C ATOM 40 C CYS A 3 -0.632 5.690 -1.049 1.00 0.63 C ATOM 41 O CYS A 3 -1.324 6.207 -0.174 1.00 0.70 O ATOM 42 CB CYS A 3 1.507 6.965 -1.195 1.00 0.79 C ATOM 43 SG CYS A 3 2.729 5.627 -0.978 1.00 1.11 S ATOM 0 H CYS A 3 -1.398 7.844 -2.012 1.00 0.75 H new ATOM 0 HA CYS A 3 0.543 5.948 -2.820 1.00 0.70 H new ATOM 0 HB2 CYS A 3 1.978 7.791 -1.728 1.00 0.79 H new ATOM 0 HB3 CYS A 3 1.218 7.342 -0.214 1.00 0.79 H new ATOM 48 N HIS A 4 -0.592 4.382 -1.272 1.00 0.71 N ATOM 49 CA HIS A 4 -1.381 3.437 -0.482 1.00 0.82 C ATOM 50 C HIS A 4 -1.349 3.790 1.003 1.00 1.09 C ATOM 51 O HIS A 4 -0.376 4.354 1.502 1.00 1.60 O ATOM 52 CB HIS A 4 -0.870 2.014 -0.693 1.00 1.02 C ATOM 53 CG HIS A 4 -1.427 1.361 -1.923 1.00 1.26 C ATOM 54 ND1 HIS A 4 -2.608 0.646 -1.918 1.00 1.97 N ATOM 55 CD2 HIS A 4 -0.971 1.321 -3.202 1.00 1.30 C ATOM 56 CE1 HIS A 4 -2.853 0.197 -3.136 1.00 2.45 C ATOM 57 NE2 HIS A 4 -1.878 0.594 -3.931 1.00 2.02 N ATOM 0 H HIS A 4 -0.020 3.947 -1.996 1.00 0.71 H new ATOM 0 HA HIS A 4 -2.415 3.500 -0.822 1.00 0.82 H new ATOM 0 HB2 HIS A 4 0.218 2.032 -0.760 1.00 1.02 H new ATOM 0 HB3 HIS A 4 -1.126 1.410 0.178 1.00 1.02 H new ATOM 0 HD1 HIS A 4 -3.199 0.489 -1.102 1.00 1.97 H new ATOM 0 HD2 HIS A 4 -0.065 1.776 -3.575 1.00 1.30 H new ATOM 0 HE1 HIS A 4 -3.707 -0.395 -3.431 1.00 2.45 H new ATOM 66 N THR A 5 -2.430 3.459 1.696 1.00 1.09 N ATOM 67 CA THR A 5 -2.554 3.740 3.121 1.00 1.47 C ATOM 68 C THR A 5 -1.574 2.892 3.941 1.00 1.49 C ATOM 69 O THR A 5 -0.531 2.478 3.435 1.00 1.87 O ATOM 70 CB THR A 5 -4.001 3.498 3.560 1.00 1.81 C ATOM 71 OG1 THR A 5 -4.144 3.634 4.964 1.00 2.39 O ATOM 72 CG2 THR A 5 -4.519 2.134 3.170 1.00 1.75 C ATOM 0 H THR A 5 -3.241 2.991 1.290 1.00 1.09 H new ATOM 0 HA THR A 5 -2.299 4.784 3.301 1.00 1.47 H new ATOM 0 HB THR A 5 -4.586 4.256 3.040 1.00 1.81 H new ATOM 0 HG1 THR A 5 -3.722 4.469 5.256 1.00 2.39 H new ATOM 0 HG21 THR A 5 -5.549 2.025 3.510 1.00 1.75 H new ATOM 0 HG22 THR A 5 -4.481 2.027 2.086 1.00 1.75 H new ATOM 0 HG23 THR A 5 -3.901 1.364 3.633 1.00 1.75 H new ATOM 80 N THR A 6 -1.898 2.655 5.213 1.00 1.69 N ATOM 81 CA THR A 6 -1.030 1.880 6.096 1.00 1.97 C ATOM 82 C THR A 6 -1.233 0.372 5.936 1.00 1.73 C ATOM 83 O THR A 6 -0.674 -0.415 6.700 1.00 2.23 O ATOM 84 CB THR A 6 -1.269 2.281 7.553 1.00 2.42 C ATOM 85 OG1 THR A 6 -1.100 3.677 7.724 1.00 2.93 O ATOM 86 CG2 THR A 6 -0.342 1.584 8.523 1.00 3.03 C ATOM 0 H THR A 6 -2.755 2.989 5.653 1.00 1.69 H new ATOM 0 HA THR A 6 -0.002 2.105 5.813 1.00 1.97 H new ATOM 0 HB THR A 6 -2.293 1.979 7.772 1.00 2.42 H new ATOM 0 HG1 THR A 6 -1.259 3.913 8.662 1.00 2.93 H new ATOM 0 HG21 THR A 6 -0.564 1.913 9.538 1.00 3.03 H new ATOM 0 HG22 THR A 6 -0.484 0.506 8.451 1.00 3.03 H new ATOM 0 HG23 THR A 6 0.691 1.831 8.280 1.00 3.03 H new ATOM 94 N ALA A 7 -2.024 -0.035 4.948 1.00 1.30 N ATOM 95 CA ALA A 7 -2.272 -1.456 4.717 1.00 1.15 C ATOM 96 C ALA A 7 -2.993 -2.085 5.902 1.00 1.07 C ATOM 97 O ALA A 7 -2.779 -3.254 6.221 1.00 1.22 O ATOM 98 CB ALA A 7 -0.962 -2.180 4.440 1.00 1.54 C ATOM 0 H ALA A 7 -2.501 0.591 4.299 1.00 1.30 H new ATOM 0 HA ALA A 7 -2.917 -1.553 3.844 1.00 1.15 H new ATOM 0 HB1 ALA A 7 -1.160 -3.238 4.269 1.00 1.54 H new ATOM 0 HB2 ALA A 7 -0.490 -1.752 3.556 1.00 1.54 H new ATOM 0 HB3 ALA A 7 -0.297 -2.069 5.296 1.00 1.54 H new ATOM 104 N THR A 8 -3.862 -1.312 6.544 1.00 1.08 N ATOM 105 CA THR A 8 -4.624 -1.813 7.682 1.00 1.30 C ATOM 106 C THR A 8 -5.331 -3.105 7.293 1.00 1.29 C ATOM 107 O THR A 8 -5.276 -4.104 8.011 1.00 2.06 O ATOM 108 CB THR A 8 -5.648 -0.770 8.141 1.00 1.54 C ATOM 109 OG1 THR A 8 -5.509 0.430 7.403 1.00 2.07 O ATOM 110 CG2 THR A 8 -5.530 -0.419 9.608 1.00 2.05 C ATOM 0 H THR A 8 -4.056 -0.341 6.298 1.00 1.08 H new ATOM 0 HA THR A 8 -3.940 -2.011 8.507 1.00 1.30 H new ATOM 0 HB THR A 8 -6.621 -1.230 7.970 1.00 1.54 H new ATOM 0 HG1 THR A 8 -6.173 1.082 7.710 1.00 2.07 H new ATOM 0 HG21 THR A 8 -6.284 0.324 9.866 1.00 2.05 H new ATOM 0 HG22 THR A 8 -5.683 -1.315 10.210 1.00 2.05 H new ATOM 0 HG23 THR A 8 -4.538 -0.013 9.806 1.00 2.05 H new ATOM 118 N SER A 9 -5.978 -3.071 6.136 1.00 0.85 N ATOM 119 CA SER A 9 -6.687 -4.226 5.614 1.00 0.83 C ATOM 120 C SER A 9 -7.242 -3.927 4.224 1.00 0.92 C ATOM 121 O SER A 9 -6.817 -4.532 3.240 1.00 1.10 O ATOM 122 CB SER A 9 -7.793 -4.647 6.576 1.00 0.97 C ATOM 123 OG SER A 9 -8.883 -5.237 5.887 1.00 1.23 O ATOM 0 H SER A 9 -6.025 -2.246 5.538 1.00 0.85 H new ATOM 0 HA SER A 9 -5.989 -5.058 5.522 1.00 0.83 H new ATOM 0 HB2 SER A 9 -7.395 -5.355 7.303 1.00 0.97 H new ATOM 0 HB3 SER A 9 -8.141 -3.778 7.135 1.00 0.97 H new ATOM 0 HG SER A 9 -9.574 -5.498 6.531 1.00 1.23 H new ATOM 129 N PRO A 10 -8.187 -2.979 4.114 1.00 1.07 N ATOM 130 CA PRO A 10 -8.768 -2.607 2.827 1.00 1.23 C ATOM 131 C PRO A 10 -7.826 -1.723 2.020 1.00 1.08 C ATOM 132 O PRO A 10 -7.943 -0.498 2.028 1.00 1.21 O ATOM 133 CB PRO A 10 -10.010 -1.824 3.212 1.00 1.51 C ATOM 134 CG PRO A 10 -9.673 -1.213 4.530 1.00 1.71 C ATOM 135 CD PRO A 10 -8.753 -2.186 5.223 1.00 1.37 C ATOM 0 HA PRO A 10 -8.973 -3.476 2.202 1.00 1.23 H new ATOM 0 HB2 PRO A 10 -10.244 -1.061 2.469 1.00 1.51 H new ATOM 0 HB3 PRO A 10 -10.882 -2.474 3.287 1.00 1.51 H new ATOM 0 HG2 PRO A 10 -9.188 -0.246 4.398 1.00 1.71 H new ATOM 0 HG3 PRO A 10 -10.573 -1.040 5.120 1.00 1.71 H new ATOM 0 HD2 PRO A 10 -7.974 -1.671 5.785 1.00 1.37 H new ATOM 0 HD3 PRO A 10 -9.294 -2.815 5.930 1.00 1.37 H new ATOM 143 N ILE A 11 -6.886 -2.355 1.340 1.00 1.02 N ATOM 144 CA ILE A 11 -5.903 -1.636 0.532 1.00 1.04 C ATOM 145 C ILE A 11 -6.580 -0.674 -0.448 1.00 1.16 C ATOM 146 O ILE A 11 -7.427 -1.079 -1.243 1.00 1.22 O ATOM 147 CB ILE A 11 -4.980 -2.624 -0.232 1.00 1.10 C ATOM 148 CG1 ILE A 11 -3.559 -2.557 0.329 1.00 1.33 C ATOM 149 CG2 ILE A 11 -4.971 -2.346 -1.732 1.00 1.54 C ATOM 150 CD1 ILE A 11 -3.326 -3.480 1.504 1.00 0.91 C ATOM 0 H ILE A 11 -6.778 -3.369 1.328 1.00 1.02 H new ATOM 0 HA ILE A 11 -5.290 -1.047 1.214 1.00 1.04 H new ATOM 0 HB ILE A 11 -5.377 -3.629 -0.087 1.00 1.10 H new ATOM 0 HG12 ILE A 11 -2.853 -2.806 -0.463 1.00 1.33 H new ATOM 0 HG13 ILE A 11 -3.346 -1.533 0.635 1.00 1.33 H new ATOM 0 HG21 ILE A 11 -4.314 -3.059 -2.230 1.00 1.54 H new ATOM 0 HG22 ILE A 11 -5.982 -2.447 -2.127 1.00 1.54 H new ATOM 0 HG23 ILE A 11 -4.611 -1.333 -1.912 1.00 1.54 H new ATOM 0 HD11 ILE A 11 -2.297 -3.378 1.848 1.00 0.91 H new ATOM 0 HD12 ILE A 11 -4.007 -3.218 2.313 1.00 0.91 H new ATOM 0 HD13 ILE A 11 -3.506 -4.511 1.198 1.00 0.91 H new ATOM 162 N SER A 12 -6.192 0.598 -0.387 1.00 1.35 N ATOM 163 CA SER A 12 -6.755 1.612 -1.273 1.00 1.59 C ATOM 164 C SER A 12 -5.669 2.586 -1.751 1.00 1.67 C ATOM 165 O SER A 12 -4.897 2.261 -2.651 1.00 2.36 O ATOM 166 CB SER A 12 -7.894 2.361 -0.573 1.00 1.98 C ATOM 167 OG SER A 12 -7.568 2.634 0.779 1.00 2.52 O ATOM 0 H SER A 12 -5.491 0.950 0.266 1.00 1.35 H new ATOM 0 HA SER A 12 -7.163 1.112 -2.151 1.00 1.59 H new ATOM 0 HB2 SER A 12 -8.096 3.295 -1.098 1.00 1.98 H new ATOM 0 HB3 SER A 12 -8.806 1.766 -0.618 1.00 1.98 H new ATOM 0 HG SER A 12 -8.309 3.114 1.204 1.00 2.52 H new ATOM 173 N ALA A 13 -5.604 3.780 -1.148 1.00 1.81 N ATOM 174 CA ALA A 13 -4.604 4.777 -1.529 1.00 2.23 C ATOM 175 C ALA A 13 -4.863 6.118 -0.848 1.00 2.01 C ATOM 176 O ALA A 13 -5.804 6.828 -1.201 1.00 2.59 O ATOM 177 CB ALA A 13 -4.581 4.959 -3.041 1.00 2.98 C ATOM 0 H ALA A 13 -6.230 4.075 -0.399 1.00 1.81 H new ATOM 0 HA ALA A 13 -3.633 4.410 -1.198 1.00 2.23 H new ATOM 0 HB1 ALA A 13 -3.831 5.704 -3.306 1.00 2.98 H new ATOM 0 HB2 ALA A 13 -4.334 4.010 -3.518 1.00 2.98 H new ATOM 0 HB3 ALA A 13 -5.561 5.293 -3.382 1.00 2.98 H new ATOM 183 N VAL A 14 -4.025 6.464 0.128 1.00 1.42 N ATOM 184 CA VAL A 14 -4.186 7.725 0.841 1.00 1.47 C ATOM 185 C VAL A 14 -3.646 8.905 0.029 1.00 1.18 C ATOM 186 O VAL A 14 -3.480 8.817 -1.189 1.00 1.25 O ATOM 187 CB VAL A 14 -3.537 7.693 2.246 1.00 2.12 C ATOM 188 CG1 VAL A 14 -2.052 8.017 2.199 1.00 2.72 C ATOM 189 CG2 VAL A 14 -4.272 8.625 3.204 1.00 2.60 C ATOM 0 H VAL A 14 -3.237 5.895 0.439 1.00 1.42 H new ATOM 0 HA VAL A 14 -5.258 7.865 0.977 1.00 1.47 H new ATOM 0 HB VAL A 14 -3.628 6.673 2.621 1.00 2.12 H new ATOM 0 HG11 VAL A 14 -1.640 7.983 3.208 1.00 2.72 H new ATOM 0 HG12 VAL A 14 -1.540 7.287 1.573 1.00 2.72 H new ATOM 0 HG13 VAL A 14 -1.910 9.015 1.783 1.00 2.72 H new ATOM 0 HG21 VAL A 14 -3.798 8.586 4.185 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -4.232 9.645 2.822 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -5.312 8.311 3.291 1.00 2.60 H new ATOM 199 N THR A 15 -3.402 10.010 0.720 1.00 1.40 N ATOM 200 CA THR A 15 -2.924 11.243 0.082 1.00 1.51 C ATOM 201 C THR A 15 -1.465 11.560 0.404 1.00 1.11 C ATOM 202 O THR A 15 -1.044 12.709 0.289 1.00 1.51 O ATOM 203 CB THR A 15 -3.785 12.408 0.544 1.00 2.24 C ATOM 204 OG1 THR A 15 -3.417 13.603 -0.123 1.00 2.88 O ATOM 205 CG2 THR A 15 -3.662 12.647 2.029 1.00 2.67 C ATOM 0 H THR A 15 -3.526 10.084 1.730 1.00 1.40 H new ATOM 0 HA THR A 15 -2.996 11.091 -0.995 1.00 1.51 H new ATOM 0 HB THR A 15 -4.815 12.141 0.306 1.00 2.24 H new ATOM 0 HG1 THR A 15 -2.457 13.762 -0.003 1.00 2.88 H new ATOM 0 HG21 THR A 15 -4.294 13.488 2.316 1.00 2.67 H new ATOM 0 HG22 THR A 15 -3.979 11.755 2.569 1.00 2.67 H new ATOM 0 HG23 THR A 15 -2.625 12.871 2.277 1.00 2.67 H new ATOM 213 N CYS A 16 -0.717 10.542 0.808 1.00 1.25 N ATOM 214 CA CYS A 16 0.707 10.671 1.159 1.00 0.96 C ATOM 215 C CYS A 16 1.276 12.056 0.801 1.00 1.09 C ATOM 216 O CYS A 16 1.239 12.464 -0.358 1.00 1.57 O ATOM 217 CB CYS A 16 1.504 9.559 0.457 1.00 1.10 C ATOM 218 SG CYS A 16 3.201 10.004 -0.040 1.00 1.48 S ATOM 0 H CYS A 16 -1.076 9.592 0.905 1.00 1.25 H new ATOM 0 HA CYS A 16 0.799 10.567 2.240 1.00 0.96 H new ATOM 0 HB2 CYS A 16 1.553 8.696 1.121 1.00 1.10 H new ATOM 0 HB3 CYS A 16 0.954 9.247 -0.431 1.00 1.10 H new ATOM 223 N PRO A 17 1.812 12.792 1.801 1.00 1.51 N ATOM 224 CA PRO A 17 2.386 14.127 1.608 1.00 1.98 C ATOM 225 C PRO A 17 3.034 14.323 0.235 1.00 1.78 C ATOM 226 O PRO A 17 3.557 13.377 -0.358 1.00 2.07 O ATOM 227 CB PRO A 17 3.433 14.185 2.713 1.00 2.91 C ATOM 228 CG PRO A 17 2.837 13.399 3.836 1.00 3.06 C ATOM 229 CD PRO A 17 1.900 12.382 3.217 1.00 2.21 C ATOM 0 HA PRO A 17 1.629 14.910 1.650 1.00 1.98 H new ATOM 0 HB2 PRO A 17 4.379 13.754 2.386 1.00 2.91 H new ATOM 0 HB3 PRO A 17 3.637 15.213 3.013 1.00 2.91 H new ATOM 0 HG2 PRO A 17 3.616 12.903 4.415 1.00 3.06 H new ATOM 0 HG3 PRO A 17 2.298 14.053 4.521 1.00 3.06 H new ATOM 0 HD2 PRO A 17 2.289 11.369 3.316 1.00 2.21 H new ATOM 0 HD3 PRO A 17 0.922 12.396 3.698 1.00 2.21 H new ATOM 237 N PRO A 18 2.995 15.562 -0.294 1.00 2.10 N ATOM 238 CA PRO A 18 3.567 15.886 -1.607 1.00 2.55 C ATOM 239 C PRO A 18 5.094 15.915 -1.604 1.00 2.46 C ATOM 240 O PRO A 18 5.734 15.302 -2.458 1.00 2.98 O ATOM 241 CB PRO A 18 3.005 17.276 -1.902 1.00 3.33 C ATOM 242 CG PRO A 18 2.757 17.879 -0.563 1.00 3.40 C ATOM 243 CD PRO A 18 2.378 16.741 0.346 1.00 2.76 C ATOM 0 HA PRO A 18 3.310 15.134 -2.353 1.00 2.55 H new ATOM 0 HB2 PRO A 18 3.710 17.873 -2.480 1.00 3.33 H new ATOM 0 HB3 PRO A 18 2.086 17.215 -2.485 1.00 3.33 H new ATOM 0 HG2 PRO A 18 3.646 18.391 -0.196 1.00 3.40 H new ATOM 0 HG3 PRO A 18 1.960 18.621 -0.612 1.00 3.40 H new ATOM 0 HD2 PRO A 18 2.757 16.892 1.357 1.00 2.76 H new ATOM 0 HD3 PRO A 18 1.296 16.634 0.424 1.00 2.76 H new ATOM 251 N GLY A 19 5.676 16.635 -0.646 1.00 2.33 N ATOM 252 CA GLY A 19 7.124 16.726 -0.563 1.00 2.55 C ATOM 253 C GLY A 19 7.773 15.368 -0.385 1.00 2.13 C ATOM 254 O GLY A 19 7.197 14.349 -0.763 1.00 2.21 O ATOM 0 H GLY A 19 5.172 17.155 0.072 1.00 2.33 H new ATOM 0 HA2 GLY A 19 7.509 17.195 -1.468 1.00 2.55 H new ATOM 0 HA3 GLY A 19 7.399 17.371 0.272 1.00 2.55 H new ATOM 258 N GLU A 20 8.972 15.345 0.199 1.00 2.23 N ATOM 259 CA GLU A 20 9.682 14.088 0.428 1.00 1.98 C ATOM 260 C GLU A 20 8.742 13.050 1.024 1.00 1.93 C ATOM 261 O GLU A 20 8.391 13.125 2.202 1.00 2.60 O ATOM 262 CB GLU A 20 10.872 14.298 1.365 1.00 2.70 C ATOM 263 CG GLU A 20 11.826 15.391 0.906 1.00 3.40 C ATOM 264 CD GLU A 20 11.801 16.605 1.813 1.00 4.06 C ATOM 265 OE1 GLU A 20 12.075 16.448 3.023 1.00 4.58 O ATOM 266 OE2 GLU A 20 11.509 17.713 1.316 1.00 4.42 O ATOM 0 H GLU A 20 9.468 16.177 0.520 1.00 2.23 H new ATOM 0 HA GLU A 20 10.051 13.730 -0.533 1.00 1.98 H new ATOM 0 HB2 GLU A 20 10.501 14.546 2.359 1.00 2.70 H new ATOM 0 HB3 GLU A 20 11.422 13.361 1.455 1.00 2.70 H new ATOM 0 HG2 GLU A 20 12.839 14.991 0.868 1.00 3.40 H new ATOM 0 HG3 GLU A 20 11.565 15.694 -0.108 1.00 3.40 H new ATOM 273 N ASN A 21 8.325 12.091 0.208 1.00 1.63 N ATOM 274 CA ASN A 21 7.416 11.058 0.667 1.00 2.24 C ATOM 275 C ASN A 21 7.164 10.013 -0.417 1.00 1.93 C ATOM 276 O ASN A 21 6.141 10.042 -1.101 1.00 2.55 O ATOM 277 CB ASN A 21 6.100 11.694 1.109 1.00 3.07 C ATOM 278 CG ASN A 21 5.853 11.533 2.595 1.00 4.04 C ATOM 279 OD1 ASN A 21 6.764 11.679 3.410 1.00 4.71 O ATOM 280 ND2 ASN A 21 4.614 11.233 2.953 1.00 4.42 N ATOM 0 H ASN A 21 8.602 12.010 -0.770 1.00 1.63 H new ATOM 0 HA ASN A 21 7.876 10.548 1.514 1.00 2.24 H new ATOM 0 HB2 ASN A 21 6.109 12.755 0.858 1.00 3.07 H new ATOM 0 HB3 ASN A 21 5.277 11.242 0.555 1.00 3.07 H new ATOM 0 HD21 ASN A 21 4.383 11.113 3.939 1.00 4.42 H new ATOM 0 HD22 ASN A 21 3.891 11.121 2.243 1.00 4.42 H new ATOM 287 N LEU A 22 8.101 9.082 -0.550 1.00 1.21 N ATOM 288 CA LEU A 22 7.991 8.001 -1.527 1.00 1.01 C ATOM 289 C LEU A 22 7.165 6.865 -0.948 1.00 0.79 C ATOM 290 O LEU A 22 6.908 6.823 0.254 1.00 1.02 O ATOM 291 CB LEU A 22 9.373 7.486 -1.957 1.00 1.12 C ATOM 292 CG LEU A 22 10.571 8.095 -1.227 1.00 1.11 C ATOM 293 CD1 LEU A 22 10.833 7.350 0.072 1.00 1.62 C ATOM 294 CD2 LEU A 22 11.801 8.075 -2.119 1.00 1.15 C ATOM 0 H LEU A 22 8.953 9.053 0.010 1.00 1.21 H new ATOM 0 HA LEU A 22 7.495 8.396 -2.413 1.00 1.01 H new ATOM 0 HB2 LEU A 22 9.397 6.406 -1.815 1.00 1.12 H new ATOM 0 HB3 LEU A 22 9.491 7.670 -3.025 1.00 1.12 H new ATOM 0 HG LEU A 22 10.342 9.133 -0.985 1.00 1.11 H new ATOM 0 HD11 LEU A 22 11.688 7.795 0.580 1.00 1.62 H new ATOM 0 HD12 LEU A 22 9.954 7.417 0.714 1.00 1.62 H new ATOM 0 HD13 LEU A 22 11.044 6.303 -0.145 1.00 1.62 H new ATOM 0 HD21 LEU A 22 12.645 8.512 -1.585 1.00 1.15 H new ATOM 0 HD22 LEU A 22 12.037 7.046 -2.391 1.00 1.15 H new ATOM 0 HD23 LEU A 22 11.605 8.653 -3.022 1.00 1.15 H new ATOM 306 N CYS A 23 6.745 5.946 -1.806 1.00 0.61 N ATOM 307 CA CYS A 23 5.942 4.816 -1.371 1.00 0.58 C ATOM 308 C CYS A 23 6.832 3.667 -0.924 1.00 0.64 C ATOM 309 O CYS A 23 7.533 3.069 -1.740 1.00 0.85 O ATOM 310 CB CYS A 23 5.030 4.356 -2.507 1.00 0.74 C ATOM 311 SG CYS A 23 3.596 5.443 -2.805 1.00 1.06 S ATOM 0 H CYS A 23 6.947 5.962 -2.806 1.00 0.61 H new ATOM 0 HA CYS A 23 5.331 5.131 -0.525 1.00 0.58 H new ATOM 0 HB2 CYS A 23 5.616 4.288 -3.423 1.00 0.74 H new ATOM 0 HB3 CYS A 23 4.670 3.352 -2.284 1.00 0.74 H new ATOM 316 N TYR A 24 6.807 3.350 0.369 1.00 0.67 N ATOM 317 CA TYR A 24 7.619 2.270 0.882 1.00 0.80 C ATOM 318 C TYR A 24 6.746 1.077 1.232 1.00 0.77 C ATOM 319 O TYR A 24 5.524 1.179 1.237 1.00 1.20 O ATOM 320 CB TYR A 24 8.421 2.733 2.102 1.00 0.96 C ATOM 321 CG TYR A 24 7.615 2.897 3.375 1.00 0.91 C ATOM 322 CD1 TYR A 24 7.096 1.794 4.046 1.00 1.64 C ATOM 323 CD2 TYR A 24 7.389 4.156 3.914 1.00 1.30 C ATOM 324 CE1 TYR A 24 6.374 1.944 5.214 1.00 1.74 C ATOM 325 CE2 TYR A 24 6.672 4.313 5.083 1.00 1.43 C ATOM 326 CZ TYR A 24 6.166 3.204 5.728 1.00 1.22 C ATOM 327 OH TYR A 24 5.450 3.357 6.893 1.00 1.48 O ATOM 0 H TYR A 24 6.236 3.826 1.068 1.00 0.67 H new ATOM 0 HA TYR A 24 8.324 1.966 0.109 1.00 0.80 H new ATOM 0 HB2 TYR A 24 9.220 2.015 2.286 1.00 0.96 H new ATOM 0 HB3 TYR A 24 8.896 3.685 1.866 1.00 0.96 H new ATOM 0 HD1 TYR A 24 7.260 0.804 3.647 1.00 1.64 H new ATOM 0 HD2 TYR A 24 7.781 5.027 3.410 1.00 1.30 H new ATOM 0 HE1 TYR A 24 5.975 1.078 5.721 1.00 1.74 H new ATOM 0 HE2 TYR A 24 6.508 5.300 5.491 1.00 1.43 H new ATOM 0 HH TYR A 24 5.395 4.309 7.121 1.00 1.48 H new ATOM 337 N ARG A 25 7.374 -0.050 1.527 1.00 0.98 N ATOM 338 CA ARG A 25 6.634 -1.251 1.878 1.00 0.97 C ATOM 339 C ARG A 25 7.371 -2.059 2.934 1.00 1.00 C ATOM 340 O ARG A 25 8.221 -2.888 2.612 1.00 1.24 O ATOM 341 CB ARG A 25 6.400 -2.107 0.633 1.00 1.18 C ATOM 342 CG ARG A 25 5.234 -1.632 -0.218 1.00 1.73 C ATOM 343 CD ARG A 25 4.781 -2.706 -1.191 1.00 2.06 C ATOM 344 NE ARG A 25 5.797 -2.996 -2.200 1.00 2.58 N ATOM 345 CZ ARG A 25 5.560 -3.693 -3.309 1.00 2.95 C ATOM 346 NH1 ARG A 25 4.347 -4.171 -3.553 1.00 2.99 N ATOM 347 NH2 ARG A 25 6.540 -3.914 -4.175 1.00 3.73 N ATOM 0 H ARG A 25 8.388 -0.158 1.531 1.00 0.98 H new ATOM 0 HA ARG A 25 5.672 -0.948 2.291 1.00 0.97 H new ATOM 0 HB2 ARG A 25 7.306 -2.108 0.027 1.00 1.18 H new ATOM 0 HB3 ARG A 25 6.220 -3.138 0.939 1.00 1.18 H new ATOM 0 HG2 ARG A 25 4.402 -1.350 0.428 1.00 1.73 H new ATOM 0 HG3 ARG A 25 5.526 -0.739 -0.770 1.00 1.73 H new ATOM 0 HD2 ARG A 25 4.546 -3.617 -0.641 1.00 2.06 H new ATOM 0 HD3 ARG A 25 3.863 -2.385 -1.683 1.00 2.06 H new ATOM 0 HE ARG A 25 6.742 -2.644 -2.046 1.00 2.58 H new ATOM 0 HH11 ARG A 25 3.590 -4.005 -2.889 1.00 2.99 H new ATOM 0 HH12 ARG A 25 4.171 -4.704 -4.404 1.00 2.99 H new ATOM 0 HH21 ARG A 25 7.475 -3.550 -3.991 1.00 3.73 H new ATOM 0 HH22 ARG A 25 6.359 -4.448 -5.025 1.00 3.73 H new ATOM 361 N LYS A 26 7.035 -1.822 4.199 1.00 0.97 N ATOM 362 CA LYS A 26 7.670 -2.547 5.290 1.00 1.17 C ATOM 363 C LYS A 26 7.240 -4.011 5.237 1.00 0.97 C ATOM 364 O LYS A 26 6.116 -4.347 5.606 1.00 1.08 O ATOM 365 CB LYS A 26 7.290 -1.915 6.631 1.00 1.51 C ATOM 366 CG LYS A 26 8.404 -1.953 7.666 1.00 1.81 C ATOM 367 CD LYS A 26 7.866 -1.746 9.074 1.00 2.60 C ATOM 368 CE LYS A 26 7.598 -0.279 9.362 1.00 3.26 C ATOM 369 NZ LYS A 26 7.815 0.056 10.797 1.00 4.09 N ATOM 0 H LYS A 26 6.334 -1.141 4.490 1.00 0.97 H new ATOM 0 HA LYS A 26 8.754 -2.493 5.187 1.00 1.17 H new ATOM 0 HB2 LYS A 26 6.998 -0.878 6.463 1.00 1.51 H new ATOM 0 HB3 LYS A 26 6.417 -2.431 7.031 1.00 1.51 H new ATOM 0 HG2 LYS A 26 8.921 -2.911 7.610 1.00 1.81 H new ATOM 0 HG3 LYS A 26 9.139 -1.181 7.439 1.00 1.81 H new ATOM 0 HD2 LYS A 26 6.945 -2.316 9.199 1.00 2.60 H new ATOM 0 HD3 LYS A 26 8.582 -2.134 9.798 1.00 2.60 H new ATOM 0 HE2 LYS A 26 8.250 0.337 8.743 1.00 3.26 H new ATOM 0 HE3 LYS A 26 6.572 -0.036 9.084 1.00 3.26 H new ATOM 0 HZ1 LYS A 26 7.621 1.066 10.951 1.00 4.09 H new ATOM 0 HZ2 LYS A 26 7.175 -0.513 11.387 1.00 4.09 H new ATOM 0 HZ3 LYS A 26 8.801 -0.151 11.057 1.00 4.09 H new ATOM 383 N MET A 27 8.127 -4.878 4.745 1.00 0.81 N ATOM 384 CA MET A 27 7.800 -6.297 4.618 1.00 0.72 C ATOM 385 C MET A 27 8.739 -7.177 5.429 1.00 0.71 C ATOM 386 O MET A 27 9.810 -6.733 5.839 1.00 0.78 O ATOM 387 CB MET A 27 7.835 -6.708 3.149 1.00 0.82 C ATOM 388 CG MET A 27 9.171 -6.440 2.478 1.00 1.28 C ATOM 389 SD MET A 27 9.002 -5.560 0.913 1.00 1.82 S ATOM 390 CE MET A 27 10.632 -5.806 0.211 1.00 2.26 C ATOM 0 H MET A 27 9.065 -4.626 4.432 1.00 0.81 H new ATOM 0 HA MET A 27 6.796 -6.440 5.016 1.00 0.72 H new ATOM 0 HB2 MET A 27 7.605 -7.771 3.071 1.00 0.82 H new ATOM 0 HB3 MET A 27 7.053 -6.172 2.611 1.00 0.82 H new ATOM 0 HG2 MET A 27 9.800 -5.858 3.151 1.00 1.28 H new ATOM 0 HG3 MET A 27 9.682 -7.387 2.304 1.00 1.28 H new ATOM 0 HE1 MET A 27 10.596 -5.629 -0.864 1.00 2.26 H new ATOM 0 HE2 MET A 27 11.334 -5.110 0.670 1.00 2.26 H new ATOM 0 HE3 MET A 27 10.959 -6.829 0.400 1.00 2.26 H new ATOM 400 N TRP A 28 8.335 -8.431 5.660 1.00 0.72 N ATOM 401 CA TRP A 28 9.171 -9.352 6.439 1.00 0.84 C ATOM 402 C TRP A 28 8.512 -10.710 6.644 1.00 1.01 C ATOM 403 O TRP A 28 8.045 -11.032 7.733 1.00 1.86 O ATOM 404 CB TRP A 28 9.534 -8.741 7.801 1.00 1.06 C ATOM 405 CG TRP A 28 8.360 -8.421 8.689 1.00 0.93 C ATOM 406 CD1 TRP A 28 7.744 -9.251 9.580 1.00 1.03 C ATOM 407 CD2 TRP A 28 7.670 -7.172 8.777 1.00 0.99 C ATOM 408 NE1 TRP A 28 6.724 -8.594 10.218 1.00 1.13 N ATOM 409 CE2 TRP A 28 6.658 -7.316 9.742 1.00 1.13 C ATOM 410 CE3 TRP A 28 7.813 -5.949 8.137 1.00 1.14 C ATOM 411 CZ2 TRP A 28 5.797 -6.276 10.079 1.00 1.39 C ATOM 412 CZ3 TRP A 28 6.957 -4.917 8.469 1.00 1.40 C ATOM 413 CH2 TRP A 28 5.961 -5.086 9.433 1.00 1.51 C ATOM 0 H TRP A 28 7.455 -8.825 5.328 1.00 0.72 H new ATOM 0 HA TRP A 28 10.079 -9.511 5.858 1.00 0.84 H new ATOM 0 HB2 TRP A 28 10.192 -9.432 8.329 1.00 1.06 H new ATOM 0 HB3 TRP A 28 10.102 -7.826 7.632 1.00 1.06 H new ATOM 0 HD1 TRP A 28 8.021 -10.280 9.757 1.00 1.03 H new ATOM 0 HE1 TRP A 28 6.114 -8.994 10.931 1.00 1.13 H new ATOM 0 HE3 TRP A 28 8.581 -5.806 7.391 1.00 1.14 H new ATOM 0 HZ2 TRP A 28 5.027 -6.406 10.825 1.00 1.39 H new ATOM 0 HZ3 TRP A 28 7.060 -3.963 7.974 1.00 1.40 H new ATOM 0 HH2 TRP A 28 5.308 -4.259 9.671 1.00 1.51 H new ATOM 424 N CYS A 29 8.491 -11.512 5.592 1.00 0.78 N ATOM 425 CA CYS A 29 7.906 -12.843 5.662 1.00 1.08 C ATOM 426 C CYS A 29 7.897 -13.499 4.288 1.00 1.23 C ATOM 427 O CYS A 29 8.103 -14.706 4.169 1.00 1.76 O ATOM 428 CB CYS A 29 6.487 -12.775 6.219 1.00 1.22 C ATOM 429 SG CYS A 29 6.176 -13.942 7.583 1.00 2.01 S ATOM 0 H CYS A 29 8.872 -11.265 4.679 1.00 0.78 H new ATOM 0 HA CYS A 29 8.517 -13.448 6.332 1.00 1.08 H new ATOM 0 HB2 CYS A 29 6.292 -11.761 6.569 1.00 1.22 H new ATOM 0 HB3 CYS A 29 5.780 -12.975 5.414 1.00 1.22 H new ATOM 434 N ASP A 30 7.655 -12.685 3.258 1.00 1.09 N ATOM 435 CA ASP A 30 7.613 -13.151 1.868 1.00 1.49 C ATOM 436 C ASP A 30 8.338 -14.481 1.668 1.00 1.84 C ATOM 437 O ASP A 30 9.567 -14.545 1.705 1.00 2.08 O ATOM 438 CB ASP A 30 8.226 -12.088 0.963 1.00 1.82 C ATOM 439 CG ASP A 30 7.905 -12.317 -0.503 1.00 2.16 C ATOM 440 OD1 ASP A 30 6.757 -12.706 -0.807 1.00 2.17 O ATOM 441 OD2 ASP A 30 8.801 -12.106 -1.347 1.00 2.87 O ATOM 0 H ASP A 30 7.483 -11.685 3.363 1.00 1.09 H new ATOM 0 HA ASP A 30 6.567 -13.318 1.610 1.00 1.49 H new ATOM 0 HB2 ASP A 30 7.860 -11.106 1.262 1.00 1.82 H new ATOM 0 HB3 ASP A 30 9.308 -12.080 1.098 1.00 1.82 H new ATOM 446 N ALA A 31 7.560 -15.540 1.458 1.00 2.10 N ATOM 447 CA ALA A 31 8.106 -16.878 1.250 1.00 2.57 C ATOM 448 C ALA A 31 6.997 -17.924 1.285 1.00 2.31 C ATOM 449 O ALA A 31 6.650 -18.516 0.263 1.00 2.80 O ATOM 450 CB ALA A 31 9.160 -17.195 2.304 1.00 3.06 C ATOM 0 H ALA A 31 6.541 -15.496 1.427 1.00 2.10 H new ATOM 0 HA ALA A 31 8.576 -16.904 0.267 1.00 2.57 H new ATOM 0 HB1 ALA A 31 9.556 -18.196 2.133 1.00 3.06 H new ATOM 0 HB2 ALA A 31 9.970 -16.469 2.239 1.00 3.06 H new ATOM 0 HB3 ALA A 31 8.709 -17.147 3.295 1.00 3.06 H new ATOM 456 N PHE A 32 6.444 -18.136 2.473 1.00 2.03 N ATOM 457 CA PHE A 32 5.367 -19.099 2.672 1.00 2.15 C ATOM 458 C PHE A 32 4.977 -19.141 4.145 1.00 1.81 C ATOM 459 O PHE A 32 4.782 -20.209 4.725 1.00 2.10 O ATOM 460 CB PHE A 32 5.787 -20.494 2.192 1.00 2.88 C ATOM 461 CG PHE A 32 7.212 -20.847 2.509 1.00 3.55 C ATOM 462 CD1 PHE A 32 7.589 -21.178 3.802 1.00 4.39 C ATOM 463 CD2 PHE A 32 8.177 -20.855 1.513 1.00 3.90 C ATOM 464 CE1 PHE A 32 8.898 -21.508 4.094 1.00 5.34 C ATOM 465 CE2 PHE A 32 9.487 -21.186 1.800 1.00 4.89 C ATOM 466 CZ PHE A 32 9.849 -21.512 3.092 1.00 5.54 C ATOM 0 H PHE A 32 6.728 -17.648 3.322 1.00 2.03 H new ATOM 0 HA PHE A 32 4.505 -18.784 2.083 1.00 2.15 H new ATOM 0 HB2 PHE A 32 5.130 -21.236 2.646 1.00 2.88 H new ATOM 0 HB3 PHE A 32 5.640 -20.555 1.114 1.00 2.88 H new ATOM 0 HD1 PHE A 32 6.850 -21.178 4.590 1.00 4.39 H new ATOM 0 HD2 PHE A 32 7.901 -20.599 0.501 1.00 3.90 H new ATOM 0 HE1 PHE A 32 9.178 -21.763 5.105 1.00 5.34 H new ATOM 0 HE2 PHE A 32 10.228 -21.190 1.014 1.00 4.89 H new ATOM 0 HZ PHE A 32 10.873 -21.769 3.319 1.00 5.54 H new ATOM 476 N CYS A 33 4.881 -17.956 4.741 1.00 1.48 N ATOM 477 CA CYS A 33 4.533 -17.819 6.150 1.00 1.52 C ATOM 478 C CYS A 33 3.130 -18.349 6.447 1.00 1.57 C ATOM 479 O CYS A 33 2.523 -19.034 5.623 1.00 2.29 O ATOM 480 CB CYS A 33 4.650 -16.351 6.567 1.00 1.89 C ATOM 481 SG CYS A 33 6.368 -15.763 6.713 1.00 2.00 S ATOM 0 H CYS A 33 5.041 -17.069 4.263 1.00 1.48 H new ATOM 0 HA CYS A 33 5.232 -18.421 6.730 1.00 1.52 H new ATOM 0 HB2 CYS A 33 4.125 -15.733 5.839 1.00 1.89 H new ATOM 0 HB3 CYS A 33 4.146 -16.213 7.524 1.00 1.89 H new ATOM 486 N SER A 34 2.632 -18.036 7.644 1.00 1.46 N ATOM 487 CA SER A 34 1.312 -18.480 8.087 1.00 1.71 C ATOM 488 C SER A 34 0.249 -18.344 7.000 1.00 1.29 C ATOM 489 O SER A 34 -0.328 -19.341 6.569 1.00 1.73 O ATOM 490 CB SER A 34 0.883 -17.695 9.327 1.00 2.39 C ATOM 491 OG SER A 34 1.734 -17.972 10.426 1.00 3.26 O ATOM 0 H SER A 34 3.131 -17.470 8.330 1.00 1.46 H new ATOM 0 HA SER A 34 1.398 -19.540 8.326 1.00 1.71 H new ATOM 0 HB2 SER A 34 0.901 -16.627 9.109 1.00 2.39 H new ATOM 0 HB3 SER A 34 -0.145 -17.950 9.585 1.00 2.39 H new ATOM 0 HG SER A 34 1.440 -17.457 11.206 1.00 3.26 H new ATOM 497 N SER A 35 -0.019 -17.111 6.567 1.00 1.18 N ATOM 498 CA SER A 35 -1.025 -16.862 5.549 1.00 1.15 C ATOM 499 C SER A 35 -1.317 -15.366 5.446 1.00 1.15 C ATOM 500 O SER A 35 -1.159 -14.626 6.415 1.00 1.62 O ATOM 501 CB SER A 35 -2.310 -17.639 5.864 1.00 1.44 C ATOM 502 OG SER A 35 -2.645 -17.545 7.240 1.00 1.93 O ATOM 0 H SER A 35 0.450 -16.273 6.910 1.00 1.18 H new ATOM 0 HA SER A 35 -0.640 -17.207 4.589 1.00 1.15 H new ATOM 0 HB2 SER A 35 -3.130 -17.250 5.260 1.00 1.44 H new ATOM 0 HB3 SER A 35 -2.181 -18.686 5.590 1.00 1.44 H new ATOM 0 HG SER A 35 -2.361 -16.673 7.587 1.00 1.93 H new ATOM 508 N ARG A 36 -1.723 -14.949 4.252 1.00 1.06 N ATOM 509 CA ARG A 36 -2.035 -13.556 3.923 1.00 1.09 C ATOM 510 C ARG A 36 -0.905 -12.955 3.095 1.00 1.13 C ATOM 511 O ARG A 36 -0.985 -11.810 2.662 1.00 1.71 O ATOM 512 CB ARG A 36 -2.329 -12.713 5.171 1.00 1.10 C ATOM 513 CG ARG A 36 -2.940 -11.342 4.871 1.00 0.90 C ATOM 514 CD ARG A 36 -3.070 -10.493 6.129 1.00 1.67 C ATOM 515 NE ARG A 36 -4.239 -10.852 6.925 1.00 2.63 N ATOM 516 CZ ARG A 36 -5.438 -10.288 6.787 1.00 3.41 C ATOM 517 NH1 ARG A 36 -5.638 -9.356 5.868 1.00 3.43 N ATOM 518 NH2 ARG A 36 -6.441 -10.663 7.567 1.00 4.49 N ATOM 0 H ARG A 36 -1.849 -15.584 3.463 1.00 1.06 H new ATOM 0 HA ARG A 36 -2.949 -13.547 3.330 1.00 1.09 H new ATOM 0 HB2 ARG A 36 -3.008 -13.267 5.819 1.00 1.10 H new ATOM 0 HB3 ARG A 36 -1.402 -12.572 5.727 1.00 1.10 H new ATOM 0 HG2 ARG A 36 -2.320 -10.819 4.142 1.00 0.90 H new ATOM 0 HG3 ARG A 36 -3.923 -11.473 4.418 1.00 0.90 H new ATOM 0 HD2 ARG A 36 -2.172 -10.608 6.736 1.00 1.67 H new ATOM 0 HD3 ARG A 36 -3.134 -9.441 5.849 1.00 1.67 H new ATOM 0 HE ARG A 36 -4.131 -11.580 7.631 1.00 2.63 H new ATOM 0 HH11 ARG A 36 -4.872 -9.066 5.261 1.00 3.43 H new ATOM 0 HH12 ARG A 36 -6.558 -8.928 5.767 1.00 3.43 H new ATOM 0 HH21 ARG A 36 -6.295 -11.384 8.274 1.00 4.49 H new ATOM 0 HH22 ARG A 36 -7.359 -10.231 7.461 1.00 4.49 H new ATOM 532 N GLY A 37 0.139 -13.758 2.853 1.00 0.96 N ATOM 533 CA GLY A 37 1.263 -13.307 2.048 1.00 1.04 C ATOM 534 C GLY A 37 2.320 -12.589 2.862 1.00 1.12 C ATOM 535 O GLY A 37 2.224 -12.528 4.084 1.00 1.71 O ATOM 0 H GLY A 37 0.222 -14.713 3.203 1.00 0.96 H new ATOM 0 HA2 GLY A 37 1.715 -14.165 1.551 1.00 1.04 H new ATOM 0 HA3 GLY A 37 0.899 -12.641 1.266 1.00 1.04 H new ATOM 539 N LYS A 38 3.335 -12.046 2.189 1.00 1.05 N ATOM 540 CA LYS A 38 4.401 -11.335 2.888 1.00 1.17 C ATOM 541 C LYS A 38 3.863 -10.114 3.590 1.00 1.21 C ATOM 542 O LYS A 38 3.033 -9.390 3.047 1.00 2.19 O ATOM 543 CB LYS A 38 5.510 -10.876 1.940 1.00 1.41 C ATOM 544 CG LYS A 38 5.124 -9.685 1.073 1.00 2.21 C ATOM 545 CD LYS A 38 6.155 -9.419 -0.011 1.00 2.86 C ATOM 546 CE LYS A 38 7.108 -8.303 0.380 1.00 3.70 C ATOM 547 NZ LYS A 38 8.483 -8.813 0.647 1.00 4.40 N ATOM 0 H LYS A 38 3.440 -12.084 1.175 1.00 1.05 H new ATOM 0 HA LYS A 38 4.813 -12.043 3.608 1.00 1.17 H new ATOM 0 HB2 LYS A 38 6.392 -10.616 2.526 1.00 1.41 H new ATOM 0 HB3 LYS A 38 5.790 -11.708 1.294 1.00 1.41 H new ATOM 0 HG2 LYS A 38 4.153 -9.869 0.614 1.00 2.21 H new ATOM 0 HG3 LYS A 38 5.018 -8.799 1.699 1.00 2.21 H new ATOM 0 HD2 LYS A 38 6.722 -10.330 -0.205 1.00 2.86 H new ATOM 0 HD3 LYS A 38 5.647 -9.155 -0.939 1.00 2.86 H new ATOM 0 HE2 LYS A 38 7.145 -7.561 -0.418 1.00 3.70 H new ATOM 0 HE3 LYS A 38 6.730 -7.797 1.268 1.00 3.70 H new ATOM 0 HZ1 LYS A 38 9.176 -8.065 0.444 1.00 4.40 H new ATOM 0 HZ2 LYS A 38 8.561 -9.096 1.645 1.00 4.40 H new ATOM 0 HZ3 LYS A 38 8.673 -9.635 0.039 1.00 4.40 H new ATOM 561 N VAL A 39 4.376 -9.866 4.775 1.00 0.75 N ATOM 562 CA VAL A 39 3.973 -8.696 5.533 1.00 0.72 C ATOM 563 C VAL A 39 4.338 -7.453 4.742 1.00 0.79 C ATOM 564 O VAL A 39 5.391 -7.407 4.111 1.00 1.70 O ATOM 565 CB VAL A 39 4.608 -8.663 6.948 1.00 0.80 C ATOM 566 CG1 VAL A 39 5.975 -9.303 6.979 1.00 0.78 C ATOM 567 CG2 VAL A 39 4.667 -7.255 7.508 1.00 0.95 C ATOM 0 H VAL A 39 5.070 -10.454 5.235 1.00 0.75 H new ATOM 0 HA VAL A 39 2.894 -8.735 5.686 1.00 0.72 H new ATOM 0 HB VAL A 39 3.953 -9.255 7.587 1.00 0.80 H new ATOM 0 HG11 VAL A 39 6.377 -9.254 7.991 1.00 0.78 H new ATOM 0 HG12 VAL A 39 5.896 -10.345 6.670 1.00 0.78 H new ATOM 0 HG13 VAL A 39 6.641 -8.772 6.299 1.00 0.78 H new ATOM 0 HG21 VAL A 39 5.118 -7.277 8.500 1.00 0.95 H new ATOM 0 HG22 VAL A 39 5.267 -6.627 6.850 1.00 0.95 H new ATOM 0 HG23 VAL A 39 3.658 -6.848 7.577 1.00 0.95 H new ATOM 577 N VAL A 40 3.457 -6.465 4.738 1.00 0.89 N ATOM 578 CA VAL A 40 3.711 -5.255 3.982 1.00 0.85 C ATOM 579 C VAL A 40 3.038 -4.047 4.590 1.00 0.98 C ATOM 580 O VAL A 40 2.070 -3.513 4.048 1.00 1.50 O ATOM 581 CB VAL A 40 3.271 -5.409 2.524 1.00 0.85 C ATOM 582 CG1 VAL A 40 4.099 -6.494 1.874 1.00 0.85 C ATOM 583 CG2 VAL A 40 1.782 -5.723 2.432 1.00 1.30 C ATOM 0 H VAL A 40 2.571 -6.478 5.244 1.00 0.89 H new ATOM 0 HA VAL A 40 4.788 -5.094 4.016 1.00 0.85 H new ATOM 0 HB VAL A 40 3.433 -4.469 1.996 1.00 0.85 H new ATOM 0 HG11 VAL A 40 3.793 -6.612 0.834 1.00 0.85 H new ATOM 0 HG12 VAL A 40 5.153 -6.220 1.913 1.00 0.85 H new ATOM 0 HG13 VAL A 40 3.948 -7.434 2.405 1.00 0.85 H new ATOM 0 HG21 VAL A 40 1.496 -5.827 1.385 1.00 1.30 H new ATOM 0 HG22 VAL A 40 1.573 -6.654 2.960 1.00 1.30 H new ATOM 0 HG23 VAL A 40 1.211 -4.913 2.885 1.00 1.30 H new ATOM 593 N GLU A 41 3.587 -3.599 5.701 1.00 1.20 N ATOM 594 CA GLU A 41 3.075 -2.422 6.370 1.00 1.47 C ATOM 595 C GLU A 41 3.373 -1.199 5.520 1.00 1.04 C ATOM 596 O GLU A 41 4.321 -0.453 5.778 1.00 1.45 O ATOM 597 CB GLU A 41 3.695 -2.258 7.750 1.00 1.99 C ATOM 598 CG GLU A 41 2.837 -2.815 8.873 1.00 2.53 C ATOM 599 CD GLU A 41 2.925 -4.325 8.978 1.00 3.25 C ATOM 600 OE1 GLU A 41 2.794 -4.999 7.937 1.00 3.85 O ATOM 601 OE2 GLU A 41 3.124 -4.832 10.103 1.00 3.63 O ATOM 0 H GLU A 41 4.388 -4.033 6.159 1.00 1.20 H new ATOM 0 HA GLU A 41 1.999 -2.534 6.499 1.00 1.47 H new ATOM 0 HB2 GLU A 41 4.665 -2.755 7.765 1.00 1.99 H new ATOM 0 HB3 GLU A 41 3.877 -1.199 7.934 1.00 1.99 H new ATOM 0 HG2 GLU A 41 3.148 -2.370 9.818 1.00 2.53 H new ATOM 0 HG3 GLU A 41 1.799 -2.525 8.710 1.00 2.53 H new ATOM 608 N LEU A 42 2.567 -1.030 4.487 1.00 0.67 N ATOM 609 CA LEU A 42 2.711 0.084 3.552 1.00 1.06 C ATOM 610 C LEU A 42 2.899 1.412 4.289 1.00 0.83 C ATOM 611 O LEU A 42 2.746 1.483 5.507 1.00 1.09 O ATOM 612 CB LEU A 42 1.473 0.162 2.653 1.00 1.92 C ATOM 613 CG LEU A 42 1.705 -0.224 1.194 1.00 2.75 C ATOM 614 CD1 LEU A 42 2.813 0.625 0.598 1.00 3.67 C ATOM 615 CD2 LEU A 42 2.042 -1.704 1.080 1.00 3.27 C ATOM 0 H LEU A 42 1.793 -1.658 4.268 1.00 0.67 H new ATOM 0 HA LEU A 42 3.600 -0.093 2.946 1.00 1.06 H new ATOM 0 HB2 LEU A 42 0.702 -0.488 3.066 1.00 1.92 H new ATOM 0 HB3 LEU A 42 1.083 1.179 2.686 1.00 1.92 H new ATOM 0 HG LEU A 42 0.788 -0.040 0.634 1.00 2.75 H new ATOM 0 HD11 LEU A 42 2.969 0.341 -0.443 1.00 3.67 H new ATOM 0 HD12 LEU A 42 2.532 1.677 0.649 1.00 3.67 H new ATOM 0 HD13 LEU A 42 3.734 0.468 1.159 1.00 3.67 H new ATOM 0 HD21 LEU A 42 2.204 -1.961 0.033 1.00 3.27 H new ATOM 0 HD22 LEU A 42 2.947 -1.916 1.650 1.00 3.27 H new ATOM 0 HD23 LEU A 42 1.217 -2.297 1.475 1.00 3.27 H new ATOM 627 N GLY A 43 3.236 2.462 3.537 1.00 0.70 N ATOM 628 CA GLY A 43 3.438 3.762 4.127 1.00 0.68 C ATOM 629 C GLY A 43 4.326 4.632 3.265 1.00 0.67 C ATOM 630 O GLY A 43 5.127 4.127 2.480 1.00 0.87 O ATOM 0 H GLY A 43 3.371 2.426 2.527 1.00 0.70 H new ATOM 0 HA2 GLY A 43 2.475 4.252 4.269 1.00 0.68 H new ATOM 0 HA3 GLY A 43 3.886 3.649 5.114 1.00 0.68 H new ATOM 634 N CYS A 44 4.175 5.936 3.404 1.00 0.62 N ATOM 635 CA CYS A 44 4.963 6.887 2.627 1.00 0.67 C ATOM 636 C CYS A 44 6.091 7.490 3.468 1.00 0.76 C ATOM 637 O CYS A 44 5.842 8.136 4.486 1.00 0.97 O ATOM 638 CB CYS A 44 4.059 7.995 2.074 1.00 0.87 C ATOM 639 SG CYS A 44 4.275 8.313 0.293 1.00 1.28 S ATOM 0 H CYS A 44 3.512 6.366 4.049 1.00 0.62 H new ATOM 0 HA CYS A 44 5.417 6.350 1.794 1.00 0.67 H new ATOM 0 HB2 CYS A 44 3.019 7.727 2.261 1.00 0.87 H new ATOM 0 HB3 CYS A 44 4.255 8.916 2.623 1.00 0.87 H new ATOM 644 N ALA A 45 7.330 7.274 3.028 1.00 0.73 N ATOM 645 CA ALA A 45 8.505 7.795 3.731 1.00 0.93 C ATOM 646 C ALA A 45 9.201 8.872 2.901 1.00 0.87 C ATOM 647 O ALA A 45 9.144 8.847 1.678 1.00 0.86 O ATOM 648 CB ALA A 45 9.476 6.668 4.056 1.00 1.14 C ATOM 0 H ALA A 45 7.548 6.741 2.186 1.00 0.73 H new ATOM 0 HA ALA A 45 8.169 8.246 4.665 1.00 0.93 H new ATOM 0 HB1 ALA A 45 10.343 7.074 4.578 1.00 1.14 H new ATOM 0 HB2 ALA A 45 8.981 5.933 4.691 1.00 1.14 H new ATOM 0 HB3 ALA A 45 9.800 6.189 3.132 1.00 1.14 H new ATOM 654 N ALA A 46 9.841 9.825 3.574 1.00 1.03 N ATOM 655 CA ALA A 46 10.522 10.923 2.892 1.00 1.10 C ATOM 656 C ALA A 46 11.875 10.529 2.299 1.00 1.00 C ATOM 657 O ALA A 46 12.619 11.391 1.832 1.00 1.04 O ATOM 658 CB ALA A 46 10.701 12.086 3.849 1.00 1.43 C ATOM 0 H ALA A 46 9.902 9.859 4.592 1.00 1.03 H new ATOM 0 HA ALA A 46 9.888 11.209 2.053 1.00 1.10 H new ATOM 0 HB1 ALA A 46 11.209 12.903 3.337 1.00 1.43 H new ATOM 0 HB2 ALA A 46 9.725 12.426 4.195 1.00 1.43 H new ATOM 0 HB3 ALA A 46 11.298 11.766 4.703 1.00 1.43 H new ATOM 664 N THR A 47 12.199 9.242 2.308 1.00 1.08 N ATOM 665 CA THR A 47 13.473 8.786 1.756 1.00 1.13 C ATOM 666 C THR A 47 13.479 7.281 1.505 1.00 1.23 C ATOM 667 O THR A 47 12.615 6.552 1.993 1.00 1.75 O ATOM 668 CB THR A 47 14.623 9.156 2.697 1.00 1.32 C ATOM 669 OG1 THR A 47 14.230 10.173 3.602 1.00 1.83 O ATOM 670 CG2 THR A 47 15.856 9.643 1.966 1.00 1.85 C ATOM 0 H THR A 47 11.607 8.502 2.686 1.00 1.08 H new ATOM 0 HA THR A 47 13.608 9.287 0.798 1.00 1.13 H new ATOM 0 HB THR A 47 14.870 8.236 3.226 1.00 1.32 H new ATOM 0 HG1 THR A 47 14.980 10.392 4.194 1.00 1.83 H new ATOM 0 HG21 THR A 47 16.634 9.889 2.689 1.00 1.85 H new ATOM 0 HG22 THR A 47 16.216 8.861 1.298 1.00 1.85 H new ATOM 0 HG23 THR A 47 15.607 10.531 1.384 1.00 1.85 H new ATOM 678 N CYS A 48 14.467 6.830 0.733 1.00 1.40 N ATOM 679 CA CYS A 48 14.619 5.419 0.399 1.00 1.65 C ATOM 680 C CYS A 48 15.739 4.781 1.223 1.00 1.43 C ATOM 681 O CYS A 48 16.836 4.539 0.717 1.00 1.73 O ATOM 682 CB CYS A 48 14.912 5.258 -1.096 1.00 2.35 C ATOM 683 SG CYS A 48 13.861 4.029 -1.927 1.00 2.33 S ATOM 0 H CYS A 48 15.181 7.432 0.324 1.00 1.40 H new ATOM 0 HA CYS A 48 13.685 4.911 0.637 1.00 1.65 H new ATOM 0 HB2 CYS A 48 14.783 6.223 -1.587 1.00 2.35 H new ATOM 0 HB3 CYS A 48 15.956 4.973 -1.223 1.00 2.35 H new ATOM 688 N PRO A 49 15.475 4.503 2.512 1.00 1.66 N ATOM 689 CA PRO A 49 16.459 3.891 3.421 1.00 2.03 C ATOM 690 C PRO A 49 16.878 2.487 3.006 1.00 1.93 C ATOM 691 O PRO A 49 17.730 1.867 3.643 1.00 2.63 O ATOM 692 CB PRO A 49 15.725 3.847 4.762 1.00 2.86 C ATOM 693 CG PRO A 49 14.281 3.891 4.403 1.00 3.04 C ATOM 694 CD PRO A 49 14.199 4.768 3.189 1.00 2.28 C ATOM 0 HA PRO A 49 17.388 4.461 3.435 1.00 2.03 H new ATOM 0 HB2 PRO A 49 15.968 2.941 5.317 1.00 2.86 H new ATOM 0 HB3 PRO A 49 16.002 4.691 5.393 1.00 2.86 H new ATOM 0 HG2 PRO A 49 13.898 2.892 4.193 1.00 3.04 H new ATOM 0 HG3 PRO A 49 13.685 4.296 5.221 1.00 3.04 H new ATOM 0 HD2 PRO A 49 13.346 4.511 2.561 1.00 2.28 H new ATOM 0 HD3 PRO A 49 14.093 5.820 3.456 1.00 2.28 H new ATOM 702 N SER A 50 16.276 2.001 1.943 1.00 1.76 N ATOM 703 CA SER A 50 16.577 0.669 1.428 1.00 2.00 C ATOM 704 C SER A 50 18.056 0.539 1.078 1.00 1.81 C ATOM 705 O SER A 50 18.510 1.044 0.050 1.00 1.83 O ATOM 706 CB SER A 50 15.708 0.370 0.200 1.00 2.73 C ATOM 707 OG SER A 50 16.472 -0.193 -0.854 1.00 3.18 O ATOM 0 H SER A 50 15.569 2.507 1.410 1.00 1.76 H new ATOM 0 HA SER A 50 16.351 -0.059 2.207 1.00 2.00 H new ATOM 0 HB2 SER A 50 14.908 -0.317 0.478 1.00 2.73 H new ATOM 0 HB3 SER A 50 15.234 1.289 -0.144 1.00 2.73 H new ATOM 0 HG SER A 50 17.251 0.374 -1.032 1.00 3.18 H new ATOM 713 N LYS A 51 18.803 -0.143 1.938 1.00 2.00 N ATOM 714 CA LYS A 51 20.232 -0.348 1.726 1.00 2.22 C ATOM 715 C LYS A 51 20.692 -1.629 2.412 1.00 2.20 C ATOM 716 O LYS A 51 21.075 -1.615 3.582 1.00 2.41 O ATOM 717 CB LYS A 51 21.027 0.847 2.259 1.00 2.64 C ATOM 718 CG LYS A 51 20.427 2.195 1.889 1.00 2.64 C ATOM 719 CD LYS A 51 21.219 3.340 2.500 1.00 3.16 C ATOM 720 CE LYS A 51 20.310 4.484 2.923 1.00 3.17 C ATOM 721 NZ LYS A 51 19.594 4.186 4.194 1.00 3.40 N ATOM 0 H LYS A 51 18.441 -0.566 2.793 1.00 2.00 H new ATOM 0 HA LYS A 51 20.412 -0.439 0.655 1.00 2.22 H new ATOM 0 HB2 LYS A 51 21.092 0.774 3.345 1.00 2.64 H new ATOM 0 HB3 LYS A 51 22.046 0.795 1.875 1.00 2.64 H new ATOM 0 HG2 LYS A 51 20.408 2.301 0.804 1.00 2.64 H new ATOM 0 HG3 LYS A 51 19.393 2.242 2.232 1.00 2.64 H new ATOM 0 HD2 LYS A 51 21.776 2.978 3.364 1.00 3.16 H new ATOM 0 HD3 LYS A 51 21.951 3.703 1.778 1.00 3.16 H new ATOM 0 HE2 LYS A 51 20.902 5.391 3.044 1.00 3.17 H new ATOM 0 HE3 LYS A 51 19.583 4.680 2.135 1.00 3.17 H new ATOM 0 HZ1 LYS A 51 18.948 4.969 4.420 1.00 3.40 H new ATOM 0 HZ2 LYS A 51 19.049 3.307 4.088 1.00 3.40 H new ATOM 0 HZ3 LYS A 51 20.285 4.074 4.964 1.00 3.40 H new ATOM 735 N LYS A 52 20.636 -2.740 1.682 1.00 2.49 N ATOM 736 CA LYS A 52 21.033 -4.038 2.226 1.00 2.62 C ATOM 737 C LYS A 52 20.358 -4.277 3.578 1.00 2.34 C ATOM 738 O LYS A 52 21.030 -4.472 4.592 1.00 2.60 O ATOM 739 CB LYS A 52 22.557 -4.117 2.382 1.00 3.22 C ATOM 740 CG LYS A 52 23.325 -3.221 1.421 1.00 3.27 C ATOM 741 CD LYS A 52 23.641 -1.872 2.050 1.00 3.32 C ATOM 742 CE LYS A 52 25.097 -1.483 1.844 1.00 3.49 C ATOM 743 NZ LYS A 52 25.307 -0.018 2.004 1.00 3.70 N ATOM 0 H LYS A 52 20.320 -2.769 0.713 1.00 2.49 H new ATOM 0 HA LYS A 52 20.713 -4.812 1.528 1.00 2.62 H new ATOM 0 HB2 LYS A 52 22.822 -3.847 3.404 1.00 3.22 H new ATOM 0 HB3 LYS A 52 22.874 -5.149 2.232 1.00 3.22 H new ATOM 0 HG2 LYS A 52 24.252 -3.712 1.126 1.00 3.27 H new ATOM 0 HG3 LYS A 52 22.740 -3.073 0.513 1.00 3.27 H new ATOM 0 HD2 LYS A 52 22.995 -1.108 1.617 1.00 3.32 H new ATOM 0 HD3 LYS A 52 23.421 -1.907 3.117 1.00 3.32 H new ATOM 0 HE2 LYS A 52 25.721 -2.020 2.559 1.00 3.49 H new ATOM 0 HE3 LYS A 52 25.417 -1.789 0.848 1.00 3.49 H new ATOM 0 HZ1 LYS A 52 26.312 0.207 1.856 1.00 3.70 H new ATOM 0 HZ2 LYS A 52 24.731 0.494 1.305 1.00 3.70 H new ATOM 0 HZ3 LYS A 52 25.025 0.270 2.963 1.00 3.70 H new ATOM 757 N PRO A 53 19.012 -4.242 3.615 1.00 1.90 N ATOM 758 CA PRO A 53 18.249 -4.429 4.845 1.00 1.72 C ATOM 759 C PRO A 53 18.014 -5.887 5.204 1.00 1.80 C ATOM 760 O PRO A 53 18.082 -6.265 6.373 1.00 2.40 O ATOM 761 CB PRO A 53 16.893 -3.756 4.544 1.00 1.32 C ATOM 762 CG PRO A 53 16.956 -3.291 3.120 1.00 1.43 C ATOM 763 CD PRO A 53 18.122 -3.991 2.478 1.00 1.73 C ATOM 0 HA PRO A 53 18.790 -4.010 5.694 1.00 1.72 H new ATOM 0 HB2 PRO A 53 16.071 -4.458 4.687 1.00 1.32 H new ATOM 0 HB3 PRO A 53 16.718 -2.918 5.218 1.00 1.32 H new ATOM 0 HG2 PRO A 53 16.029 -3.527 2.596 1.00 1.43 H new ATOM 0 HG3 PRO A 53 17.083 -2.209 3.073 1.00 1.43 H new ATOM 0 HD2 PRO A 53 17.819 -4.917 1.989 1.00 1.73 H new ATOM 0 HD3 PRO A 53 18.599 -3.371 1.719 1.00 1.73 H new ATOM 771 N TYR A 54 17.673 -6.691 4.203 1.00 1.65 N ATOM 772 CA TYR A 54 17.351 -8.096 4.427 1.00 1.79 C ATOM 773 C TYR A 54 15.948 -8.189 5.033 1.00 1.31 C ATOM 774 O TYR A 54 15.379 -9.272 5.172 1.00 1.54 O ATOM 775 CB TYR A 54 18.372 -8.761 5.356 1.00 2.24 C ATOM 776 CG TYR A 54 19.794 -8.297 5.134 1.00 2.75 C ATOM 777 CD1 TYR A 54 20.374 -8.355 3.873 1.00 3.03 C ATOM 778 CD2 TYR A 54 20.554 -7.801 6.186 1.00 3.48 C ATOM 779 CE1 TYR A 54 21.674 -7.931 3.667 1.00 3.63 C ATOM 780 CE2 TYR A 54 21.853 -7.374 5.987 1.00 4.17 C ATOM 781 CZ TYR A 54 22.408 -7.441 4.726 1.00 4.11 C ATOM 782 OH TYR A 54 23.701 -7.018 4.527 1.00 4.87 O ATOM 0 H TYR A 54 17.612 -6.394 3.229 1.00 1.65 H new ATOM 0 HA TYR A 54 17.384 -8.623 3.473 1.00 1.79 H new ATOM 0 HB2 TYR A 54 18.092 -8.561 6.390 1.00 2.24 H new ATOM 0 HB3 TYR A 54 18.326 -9.841 5.216 1.00 2.24 H new ATOM 0 HD1 TYR A 54 19.801 -8.737 3.041 1.00 3.03 H new ATOM 0 HD2 TYR A 54 20.123 -7.748 7.175 1.00 3.48 H new ATOM 0 HE1 TYR A 54 22.112 -7.983 2.681 1.00 3.63 H new ATOM 0 HE2 TYR A 54 22.431 -6.990 6.815 1.00 4.17 H new ATOM 0 HH TYR A 54 24.076 -6.701 5.375 1.00 4.87 H new ATOM 792 N GLU A 55 15.407 -7.018 5.385 1.00 1.05 N ATOM 793 CA GLU A 55 14.087 -6.878 5.971 1.00 1.20 C ATOM 794 C GLU A 55 13.971 -5.502 6.613 1.00 1.91 C ATOM 795 O GLU A 55 14.401 -5.297 7.748 1.00 2.79 O ATOM 796 CB GLU A 55 13.819 -7.968 7.009 1.00 1.54 C ATOM 797 CG GLU A 55 14.962 -8.168 7.992 1.00 1.94 C ATOM 798 CD GLU A 55 15.070 -9.601 8.476 1.00 2.50 C ATOM 799 OE1 GLU A 55 14.694 -10.514 7.712 1.00 2.88 O ATOM 800 OE2 GLU A 55 15.531 -9.810 9.617 1.00 3.22 O ATOM 0 H GLU A 55 15.891 -6.128 5.265 1.00 1.05 H new ATOM 0 HA GLU A 55 13.342 -6.985 5.183 1.00 1.20 H new ATOM 0 HB2 GLU A 55 12.915 -7.716 7.563 1.00 1.54 H new ATOM 0 HB3 GLU A 55 13.625 -8.909 6.494 1.00 1.54 H new ATOM 0 HG2 GLU A 55 15.899 -7.877 7.518 1.00 1.94 H new ATOM 0 HG3 GLU A 55 14.820 -7.509 8.848 1.00 1.94 H new ATOM 807 N GLU A 56 13.407 -4.557 5.869 1.00 1.72 N ATOM 808 CA GLU A 56 13.258 -3.194 6.352 1.00 2.56 C ATOM 809 C GLU A 56 12.291 -2.418 5.463 1.00 2.26 C ATOM 810 O GLU A 56 11.291 -2.973 5.006 1.00 2.25 O ATOM 811 CB GLU A 56 14.629 -2.511 6.406 1.00 3.34 C ATOM 812 CG GLU A 56 14.749 -1.469 7.506 1.00 4.41 C ATOM 813 CD GLU A 56 15.650 -0.313 7.120 1.00 5.26 C ATOM 814 OE1 GLU A 56 15.228 0.517 6.288 1.00 5.66 O ATOM 815 OE2 GLU A 56 16.780 -0.238 7.648 1.00 5.85 O ATOM 0 H GLU A 56 13.046 -4.713 4.928 1.00 1.72 H new ATOM 0 HA GLU A 56 12.842 -3.213 7.359 1.00 2.56 H new ATOM 0 HB2 GLU A 56 15.398 -3.270 6.551 1.00 3.34 H new ATOM 0 HB3 GLU A 56 14.827 -2.036 5.445 1.00 3.34 H new ATOM 0 HG2 GLU A 56 13.758 -1.086 7.748 1.00 4.41 H new ATOM 0 HG3 GLU A 56 15.137 -1.942 8.408 1.00 4.41 H new ATOM 822 N VAL A 57 12.565 -1.138 5.226 1.00 2.15 N ATOM 823 CA VAL A 57 11.672 -0.333 4.399 1.00 1.91 C ATOM 824 C VAL A 57 12.306 0.051 3.068 1.00 1.97 C ATOM 825 O VAL A 57 13.338 0.721 3.022 1.00 2.25 O ATOM 826 CB VAL A 57 11.228 0.956 5.119 1.00 1.88 C ATOM 827 CG1 VAL A 57 10.039 1.590 4.405 1.00 1.65 C ATOM 828 CG2 VAL A 57 10.896 0.673 6.577 1.00 1.99 C ATOM 0 H VAL A 57 13.381 -0.644 5.587 1.00 2.15 H new ATOM 0 HA VAL A 57 10.803 -0.963 4.211 1.00 1.91 H new ATOM 0 HB VAL A 57 12.057 1.664 5.092 1.00 1.88 H new ATOM 0 HG11 VAL A 57 9.742 2.498 4.929 1.00 1.65 H new ATOM 0 HG12 VAL A 57 10.319 1.837 3.381 1.00 1.65 H new ATOM 0 HG13 VAL A 57 9.205 0.888 4.393 1.00 1.65 H new ATOM 0 HG21 VAL A 57 10.585 1.597 7.065 1.00 1.99 H new ATOM 0 HG22 VAL A 57 10.087 -0.056 6.631 1.00 1.99 H new ATOM 0 HG23 VAL A 57 11.777 0.275 7.080 1.00 1.99 H new ATOM 838 N THR A 58 11.649 -0.356 1.991 1.00 1.79 N ATOM 839 CA THR A 58 12.092 -0.039 0.637 1.00 1.93 C ATOM 840 C THR A 58 11.180 1.042 0.079 1.00 1.67 C ATOM 841 O THR A 58 10.223 1.419 0.737 1.00 1.86 O ATOM 842 CB THR A 58 12.051 -1.284 -0.255 1.00 2.13 C ATOM 843 OG1 THR A 58 12.378 -0.955 -1.594 1.00 2.55 O ATOM 844 CG2 THR A 58 10.698 -1.967 -0.265 1.00 2.45 C ATOM 0 H THR A 58 10.796 -0.914 2.029 1.00 1.79 H new ATOM 0 HA THR A 58 13.123 0.314 0.661 1.00 1.93 H new ATOM 0 HB THR A 58 12.784 -1.969 0.171 1.00 2.13 H new ATOM 0 HG1 THR A 58 12.348 -1.764 -2.146 1.00 2.55 H new ATOM 0 HG21 THR A 58 10.736 -2.841 -0.915 1.00 2.45 H new ATOM 0 HG22 THR A 58 10.440 -2.279 0.747 1.00 2.45 H new ATOM 0 HG23 THR A 58 9.943 -1.273 -0.634 1.00 2.45 H new ATOM 852 N CYS A 59 11.455 1.552 -1.115 1.00 1.38 N ATOM 853 CA CYS A 59 10.597 2.597 -1.669 1.00 1.19 C ATOM 854 C CYS A 59 10.669 2.672 -3.189 1.00 1.17 C ATOM 855 O CYS A 59 11.374 1.897 -3.837 1.00 1.36 O ATOM 856 CB CYS A 59 10.957 3.954 -1.056 1.00 1.33 C ATOM 857 SG CYS A 59 12.076 4.976 -2.071 1.00 1.84 S ATOM 0 H CYS A 59 12.239 1.272 -1.704 1.00 1.38 H new ATOM 0 HA CYS A 59 9.570 2.337 -1.411 1.00 1.19 H new ATOM 0 HB2 CYS A 59 10.038 4.512 -0.878 1.00 1.33 H new ATOM 0 HB3 CYS A 59 11.421 3.787 -0.084 1.00 1.33 H new ATOM 862 N CYS A 60 9.929 3.630 -3.743 1.00 1.01 N ATOM 863 CA CYS A 60 9.893 3.842 -5.183 1.00 1.07 C ATOM 864 C CYS A 60 9.153 5.132 -5.507 1.00 1.14 C ATOM 865 O CYS A 60 8.478 5.694 -4.644 1.00 1.00 O ATOM 866 CB CYS A 60 9.219 2.660 -5.884 1.00 1.19 C ATOM 867 SG CYS A 60 7.460 2.438 -5.451 1.00 1.42 S ATOM 0 H CYS A 60 9.344 4.274 -3.210 1.00 1.01 H new ATOM 0 HA CYS A 60 10.918 3.922 -5.545 1.00 1.07 H new ATOM 0 HB2 CYS A 60 9.302 2.796 -6.962 1.00 1.19 H new ATOM 0 HB3 CYS A 60 9.761 1.747 -5.635 1.00 1.19 H new ATOM 872 N SER A 61 9.279 5.595 -6.750 1.00 1.70 N ATOM 873 CA SER A 61 8.615 6.818 -7.190 1.00 2.09 C ATOM 874 C SER A 61 7.160 6.819 -6.747 1.00 1.80 C ATOM 875 O SER A 61 6.290 6.341 -7.468 1.00 2.46 O ATOM 876 CB SER A 61 8.704 6.956 -8.711 1.00 2.87 C ATOM 877 OG SER A 61 8.925 8.304 -9.091 1.00 3.66 O ATOM 0 H SER A 61 9.837 5.139 -7.471 1.00 1.70 H new ATOM 0 HA SER A 61 9.120 7.669 -6.733 1.00 2.09 H new ATOM 0 HB2 SER A 61 9.513 6.331 -9.089 1.00 2.87 H new ATOM 0 HB3 SER A 61 7.782 6.593 -9.166 1.00 2.87 H new ATOM 0 HG SER A 61 8.980 8.364 -10.068 1.00 3.66 H new ATOM 883 N THR A 62 6.931 7.355 -5.544 1.00 1.31 N ATOM 884 CA THR A 62 5.617 7.447 -4.912 1.00 1.51 C ATOM 885 C THR A 62 4.449 7.132 -5.860 1.00 1.26 C ATOM 886 O THR A 62 4.486 6.173 -6.623 1.00 2.01 O ATOM 887 CB THR A 62 5.471 8.846 -4.304 1.00 2.19 C ATOM 888 OG1 THR A 62 6.739 9.395 -3.997 1.00 2.67 O ATOM 889 CG2 THR A 62 4.643 8.867 -3.039 1.00 3.16 C ATOM 0 H THR A 62 7.677 7.747 -4.970 1.00 1.31 H new ATOM 0 HA THR A 62 5.565 6.682 -4.138 1.00 1.51 H new ATOM 0 HB THR A 62 4.958 9.437 -5.063 1.00 2.19 H new ATOM 0 HG1 THR A 62 6.624 10.289 -3.611 1.00 2.67 H new ATOM 0 HG21 THR A 62 4.580 9.888 -2.662 1.00 3.16 H new ATOM 0 HG22 THR A 62 3.640 8.497 -3.254 1.00 3.16 H new ATOM 0 HG23 THR A 62 5.111 8.231 -2.287 1.00 3.16 H new ATOM 897 N ASP A 63 3.411 7.941 -5.776 1.00 0.98 N ATOM 898 CA ASP A 63 2.202 7.783 -6.592 1.00 1.03 C ATOM 899 C ASP A 63 1.819 6.326 -6.803 1.00 1.09 C ATOM 900 O ASP A 63 2.329 5.663 -7.707 1.00 1.53 O ATOM 901 CB ASP A 63 2.343 8.488 -7.944 1.00 1.26 C ATOM 902 CG ASP A 63 3.713 9.101 -8.164 1.00 1.85 C ATOM 903 OD1 ASP A 63 4.693 8.336 -8.290 1.00 2.27 O ATOM 904 OD2 ASP A 63 3.805 10.346 -8.212 1.00 2.65 O ATOM 0 H ASP A 63 3.373 8.736 -5.137 1.00 0.98 H new ATOM 0 HA ASP A 63 1.397 8.255 -6.028 1.00 1.03 H new ATOM 0 HB2 ASP A 63 2.141 7.773 -8.741 1.00 1.26 H new ATOM 0 HB3 ASP A 63 1.587 9.270 -8.018 1.00 1.26 H new ATOM 909 N LYS A 64 0.890 5.858 -5.968 1.00 0.91 N ATOM 910 CA LYS A 64 0.376 4.484 -6.026 1.00 0.94 C ATOM 911 C LYS A 64 1.365 3.531 -6.692 1.00 0.87 C ATOM 912 O LYS A 64 0.994 2.734 -7.554 1.00 0.95 O ATOM 913 CB LYS A 64 -0.964 4.458 -6.765 1.00 1.12 C ATOM 914 CG LYS A 64 -2.054 3.702 -6.021 1.00 1.23 C ATOM 915 CD LYS A 64 -3.286 3.508 -6.888 1.00 1.47 C ATOM 916 CE LYS A 64 -2.987 2.623 -8.089 1.00 1.90 C ATOM 917 NZ LYS A 64 -2.847 3.415 -9.343 1.00 2.24 N ATOM 0 H LYS A 64 0.470 6.421 -5.229 1.00 0.91 H new ATOM 0 HA LYS A 64 0.233 4.141 -5.001 1.00 0.94 H new ATOM 0 HB2 LYS A 64 -1.295 5.482 -6.936 1.00 1.12 H new ATOM 0 HB3 LYS A 64 -0.821 4.002 -7.745 1.00 1.12 H new ATOM 0 HG2 LYS A 64 -1.674 2.731 -5.704 1.00 1.23 H new ATOM 0 HG3 LYS A 64 -2.326 4.248 -5.118 1.00 1.23 H new ATOM 0 HD2 LYS A 64 -4.083 3.061 -6.294 1.00 1.47 H new ATOM 0 HD3 LYS A 64 -3.648 4.478 -7.230 1.00 1.47 H new ATOM 0 HE2 LYS A 64 -2.069 2.064 -7.908 1.00 1.90 H new ATOM 0 HE3 LYS A 64 -3.787 1.892 -8.209 1.00 1.90 H new ATOM 0 HZ1 LYS A 64 -2.226 2.909 -10.006 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -3.783 3.546 -9.777 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -2.434 4.344 -9.123 1.00 2.24 H new ATOM 931 N CYS A 65 2.626 3.633 -6.296 1.00 0.85 N ATOM 932 CA CYS A 65 3.681 2.789 -6.862 1.00 0.94 C ATOM 933 C CYS A 65 3.824 1.460 -6.104 1.00 0.97 C ATOM 934 O CYS A 65 4.644 0.619 -6.471 1.00 1.23 O ATOM 935 CB CYS A 65 5.014 3.555 -6.858 1.00 1.08 C ATOM 936 SG CYS A 65 6.495 2.554 -7.233 1.00 1.24 S ATOM 0 H CYS A 65 2.948 4.290 -5.586 1.00 0.85 H new ATOM 0 HA CYS A 65 3.402 2.546 -7.887 1.00 0.94 H new ATOM 0 HB2 CYS A 65 4.950 4.365 -7.585 1.00 1.08 H new ATOM 0 HB3 CYS A 65 5.146 4.015 -5.879 1.00 1.08 H new ATOM 941 N ASN A 66 3.042 1.265 -5.040 1.00 0.87 N ATOM 942 CA ASN A 66 3.139 0.031 -4.258 1.00 1.05 C ATOM 943 C ASN A 66 1.916 -0.902 -4.366 1.00 0.85 C ATOM 944 O ASN A 66 1.806 -1.853 -3.592 1.00 1.10 O ATOM 945 CB ASN A 66 3.381 0.374 -2.793 1.00 1.49 C ATOM 946 CG ASN A 66 2.202 1.092 -2.175 1.00 1.47 C ATOM 947 OD1 ASN A 66 1.225 0.466 -1.769 1.00 2.23 O ATOM 948 ND2 ASN A 66 2.291 2.415 -2.102 1.00 1.38 N ATOM 0 H ASN A 66 2.347 1.932 -4.705 1.00 0.87 H new ATOM 0 HA ASN A 66 3.976 -0.522 -4.685 1.00 1.05 H new ATOM 0 HB2 ASN A 66 3.581 -0.541 -2.235 1.00 1.49 H new ATOM 0 HB3 ASN A 66 4.270 0.999 -2.709 1.00 1.49 H new ATOM 0 HD21 ASN A 66 1.528 2.956 -1.695 1.00 1.38 H new ATOM 0 HD22 ASN A 66 3.123 2.890 -2.453 1.00 1.38 H new ATOM 955 N PRO A 67 0.982 -0.672 -5.309 1.00 0.82 N ATOM 956 CA PRO A 67 -0.200 -1.527 -5.464 1.00 1.02 C ATOM 957 C PRO A 67 0.147 -3.013 -5.427 1.00 1.06 C ATOM 958 O PRO A 67 0.887 -3.509 -6.277 1.00 1.88 O ATOM 959 CB PRO A 67 -0.737 -1.139 -6.839 1.00 1.34 C ATOM 960 CG PRO A 67 -0.306 0.274 -7.026 1.00 1.49 C ATOM 961 CD PRO A 67 0.996 0.423 -6.283 1.00 1.08 C ATOM 0 HA PRO A 67 -0.915 -1.384 -4.654 1.00 1.02 H new ATOM 0 HB2 PRO A 67 -0.332 -1.784 -7.619 1.00 1.34 H new ATOM 0 HB3 PRO A 67 -1.822 -1.231 -6.881 1.00 1.34 H new ATOM 0 HG2 PRO A 67 -0.178 0.504 -8.084 1.00 1.49 H new ATOM 0 HG3 PRO A 67 -1.056 0.963 -6.638 1.00 1.49 H new ATOM 0 HD2 PRO A 67 1.850 0.346 -6.956 1.00 1.08 H new ATOM 0 HD3 PRO A 67 1.065 1.393 -5.791 1.00 1.08 H new ATOM 969 N HIS A 68 -0.390 -3.712 -4.434 1.00 1.03 N ATOM 970 CA HIS A 68 -0.137 -5.140 -4.276 1.00 1.25 C ATOM 971 C HIS A 68 -1.031 -5.975 -5.194 1.00 1.62 C ATOM 972 O HIS A 68 -0.552 -6.882 -5.874 1.00 1.90 O ATOM 973 CB HIS A 68 -0.350 -5.559 -2.821 1.00 1.49 C ATOM 974 CG HIS A 68 0.814 -6.298 -2.239 1.00 1.35 C ATOM 975 ND1 HIS A 68 1.740 -6.970 -3.010 1.00 2.01 N ATOM 976 CD2 HIS A 68 1.205 -6.465 -0.954 1.00 1.43 C ATOM 977 CE1 HIS A 68 2.646 -7.519 -2.223 1.00 2.50 C ATOM 978 NE2 HIS A 68 2.346 -7.227 -0.971 1.00 2.11 N ATOM 0 H HIS A 68 -1.005 -3.313 -3.725 1.00 1.03 H new ATOM 0 HA HIS A 68 0.900 -5.324 -4.557 1.00 1.25 H new ATOM 0 HB2 HIS A 68 -0.545 -4.671 -2.220 1.00 1.49 H new ATOM 0 HB3 HIS A 68 -1.238 -6.188 -2.758 1.00 1.49 H new ATOM 0 HD1 HIS A 68 1.726 -7.033 -4.028 1.00 2.01 H new ATOM 0 HD2 HIS A 68 0.711 -6.072 -0.078 1.00 1.43 H new ATOM 0 HE1 HIS A 68 3.491 -8.108 -2.548 1.00 2.50 H new ATOM 987 N PRO A 69 -2.347 -5.688 -5.222 1.00 2.33 N ATOM 988 CA PRO A 69 -3.294 -6.429 -6.059 1.00 2.85 C ATOM 989 C PRO A 69 -2.768 -6.666 -7.473 1.00 2.45 C ATOM 990 O PRO A 69 -2.473 -5.719 -8.203 1.00 3.04 O ATOM 991 CB PRO A 69 -4.519 -5.517 -6.081 1.00 4.03 C ATOM 992 CG PRO A 69 -4.475 -4.805 -4.774 1.00 4.23 C ATOM 993 CD PRO A 69 -3.016 -4.626 -4.442 1.00 3.14 C ATOM 0 HA PRO A 69 -3.493 -7.428 -5.670 1.00 2.85 H new ATOM 0 HB2 PRO A 69 -4.478 -4.817 -6.916 1.00 4.03 H new ATOM 0 HB3 PRO A 69 -5.439 -6.091 -6.190 1.00 4.03 H new ATOM 0 HG2 PRO A 69 -4.981 -3.842 -4.838 1.00 4.23 H new ATOM 0 HG3 PRO A 69 -4.983 -5.380 -4.000 1.00 4.23 H new ATOM 0 HD2 PRO A 69 -2.659 -3.636 -4.725 1.00 3.14 H new ATOM 0 HD3 PRO A 69 -2.832 -4.737 -3.373 1.00 3.14 H new ATOM 1001 N LYS A 70 -2.655 -7.936 -7.850 1.00 2.14 N ATOM 1002 CA LYS A 70 -2.165 -8.304 -9.173 1.00 2.45 C ATOM 1003 C LYS A 70 -3.125 -9.276 -9.853 1.00 2.26 C ATOM 1004 O LYS A 70 -2.878 -10.482 -9.892 1.00 2.90 O ATOM 1005 CB LYS A 70 -0.773 -8.933 -9.070 1.00 3.14 C ATOM 1006 CG LYS A 70 0.141 -8.586 -10.233 1.00 3.52 C ATOM 1007 CD LYS A 70 0.703 -7.179 -10.104 1.00 4.18 C ATOM 1008 CE LYS A 70 1.681 -7.073 -8.946 1.00 5.07 C ATOM 1009 NZ LYS A 70 2.278 -5.712 -8.845 1.00 5.76 N ATOM 0 H LYS A 70 -2.897 -8.729 -7.256 1.00 2.14 H new ATOM 0 HA LYS A 70 -2.101 -7.398 -9.776 1.00 2.45 H new ATOM 0 HB2 LYS A 70 -0.304 -8.607 -8.141 1.00 3.14 H new ATOM 0 HB3 LYS A 70 -0.877 -10.016 -9.012 1.00 3.14 H new ATOM 0 HG2 LYS A 70 0.961 -9.303 -10.278 1.00 3.52 H new ATOM 0 HG3 LYS A 70 -0.411 -8.673 -11.169 1.00 3.52 H new ATOM 0 HD2 LYS A 70 1.204 -6.900 -11.031 1.00 4.18 H new ATOM 0 HD3 LYS A 70 -0.114 -6.472 -9.958 1.00 4.18 H new ATOM 0 HE2 LYS A 70 1.168 -7.314 -8.015 1.00 5.07 H new ATOM 0 HE3 LYS A 70 2.475 -7.809 -9.073 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 2.939 -5.682 -8.043 1.00 5.76 H new ATOM 0 HZ2 LYS A 70 2.789 -5.491 -9.723 1.00 5.76 H new ATOM 0 HZ3 LYS A 70 1.523 -5.012 -8.698 1.00 5.76 H new ATOM 1023 N GLN A 71 -4.223 -8.745 -10.381 1.00 2.06 N ATOM 1024 CA GLN A 71 -5.222 -9.569 -11.053 1.00 2.35 C ATOM 1025 C GLN A 71 -4.624 -10.288 -12.261 1.00 1.83 C ATOM 1026 O GLN A 71 -4.299 -11.472 -12.189 1.00 2.38 O ATOM 1027 CB GLN A 71 -6.413 -8.710 -11.490 1.00 3.35 C ATOM 1028 CG GLN A 71 -7.595 -8.780 -10.537 1.00 4.20 C ATOM 1029 CD GLN A 71 -8.378 -7.483 -10.483 1.00 5.25 C ATOM 1030 OE1 GLN A 71 -7.807 -6.396 -10.573 1.00 5.76 O ATOM 1031 NE2 GLN A 71 -9.693 -7.590 -10.335 1.00 5.91 N ATOM 0 H GLN A 71 -4.444 -7.749 -10.357 1.00 2.06 H new ATOM 0 HA GLN A 71 -5.566 -10.323 -10.345 1.00 2.35 H new ATOM 0 HB2 GLN A 71 -6.089 -7.673 -11.579 1.00 3.35 H new ATOM 0 HB3 GLN A 71 -6.736 -9.029 -12.481 1.00 3.35 H new ATOM 0 HG2 GLN A 71 -8.258 -9.588 -10.846 1.00 4.20 H new ATOM 0 HG3 GLN A 71 -7.237 -9.026 -9.537 1.00 4.20 H new ATOM 0 HE21 GLN A 71 -10.125 -8.511 -10.264 1.00 5.91 H new ATOM 0 HE22 GLN A 71 -10.271 -6.751 -10.292 1.00 5.91 H new ATOM 1040 N ARG A 72 -4.485 -9.564 -13.369 1.00 1.65 N ATOM 1041 CA ARG A 72 -3.930 -10.137 -14.590 1.00 1.72 C ATOM 1042 C ARG A 72 -3.251 -9.065 -15.440 1.00 1.50 C ATOM 1043 O ARG A 72 -3.721 -8.733 -16.529 1.00 1.91 O ATOM 1044 CB ARG A 72 -5.032 -10.826 -15.400 1.00 2.57 C ATOM 1045 CG ARG A 72 -6.311 -10.010 -15.502 1.00 3.12 C ATOM 1046 CD ARG A 72 -7.361 -10.725 -16.338 1.00 3.94 C ATOM 1047 NE ARG A 72 -8.719 -10.398 -15.907 1.00 4.76 N ATOM 1048 CZ ARG A 72 -9.314 -10.944 -14.850 1.00 5.44 C ATOM 1049 NH1 ARG A 72 -8.678 -11.847 -14.114 1.00 5.52 N ATOM 1050 NH2 ARG A 72 -10.550 -10.587 -14.527 1.00 6.38 N ATOM 0 H ARG A 72 -4.749 -8.582 -13.445 1.00 1.65 H new ATOM 0 HA ARG A 72 -3.180 -10.875 -14.306 1.00 1.72 H new ATOM 0 HB2 ARG A 72 -4.660 -11.030 -16.404 1.00 2.57 H new ATOM 0 HB3 ARG A 72 -5.260 -11.789 -14.942 1.00 2.57 H new ATOM 0 HG2 ARG A 72 -6.705 -9.822 -14.503 1.00 3.12 H new ATOM 0 HG3 ARG A 72 -6.090 -9.039 -15.945 1.00 3.12 H new ATOM 0 HD2 ARG A 72 -7.238 -10.452 -17.386 1.00 3.94 H new ATOM 0 HD3 ARG A 72 -7.208 -11.802 -16.269 1.00 3.94 H new ATOM 0 HE ARG A 72 -9.242 -9.710 -16.449 1.00 4.76 H new ATOM 0 HH11 ARG A 72 -7.728 -12.126 -14.358 1.00 5.52 H new ATOM 0 HH12 ARG A 72 -9.140 -12.262 -13.305 1.00 5.52 H new ATOM 0 HH21 ARG A 72 -11.044 -9.894 -15.089 1.00 6.38 H new ATOM 0 HH22 ARG A 72 -11.006 -11.006 -13.717 1.00 6.38 H new ATOM 1064 N PRO A 73 -2.130 -8.505 -14.953 1.00 1.93 N ATOM 1065 CA PRO A 73 -1.390 -7.468 -15.676 1.00 2.42 C ATOM 1066 C PRO A 73 -0.909 -7.947 -17.040 1.00 2.46 C ATOM 1067 O PRO A 73 0.212 -8.441 -17.179 1.00 2.93 O ATOM 1068 CB PRO A 73 -0.193 -7.167 -14.765 1.00 3.42 C ATOM 1069 CG PRO A 73 -0.588 -7.673 -13.420 1.00 3.69 C ATOM 1070 CD PRO A 73 -1.499 -8.839 -13.666 1.00 2.80 C ATOM 0 HA PRO A 73 -2.013 -6.597 -15.879 1.00 2.42 H new ATOM 0 HB2 PRO A 73 0.709 -7.663 -15.123 1.00 3.42 H new ATOM 0 HB3 PRO A 73 0.021 -6.099 -14.736 1.00 3.42 H new ATOM 0 HG2 PRO A 73 0.287 -7.976 -12.845 1.00 3.69 H new ATOM 0 HG3 PRO A 73 -1.094 -6.898 -12.845 1.00 3.69 H new ATOM 0 HD2 PRO A 73 -0.947 -9.777 -13.719 1.00 2.80 H new ATOM 0 HD3 PRO A 73 -2.237 -8.948 -12.872 1.00 2.80 H new ATOM 1078 N GLY A 74 -1.762 -7.799 -18.048 1.00 2.73 N ATOM 1079 CA GLY A 74 -1.405 -8.223 -19.389 1.00 3.34 C ATOM 1080 C GLY A 74 -1.449 -9.730 -19.549 1.00 3.98 C ATOM 1081 O GLY A 74 -2.371 -10.227 -20.232 1.00 4.37 O ATOM 1082 OXT GLY A 74 -0.563 -10.412 -18.995 1.00 4.56 O ATOM 0 H GLY A 74 -2.694 -7.393 -17.960 1.00 2.73 H new ATOM 0 HA2 GLY A 74 -2.086 -7.764 -20.106 1.00 3.34 H new ATOM 0 HA3 GLY A 74 -0.403 -7.864 -19.626 1.00 3.34 H new ATOM 1087 N ILE B 178 -6.236 -11.553 30.077 1.00 3.04 N ATOM 1088 CA ILE B 178 -5.898 -12.066 28.725 1.00 2.43 C ATOM 1089 C ILE B 178 -4.690 -11.330 28.145 1.00 1.75 C ATOM 1090 O ILE B 178 -4.688 -10.102 28.057 1.00 1.94 O ATOM 1091 CB ILE B 178 -7.089 -11.915 27.758 1.00 2.91 C ATOM 1092 CG1 ILE B 178 -8.355 -12.504 28.377 1.00 3.35 C ATOM 1093 CG2 ILE B 178 -6.780 -12.587 26.427 1.00 3.53 C ATOM 1094 CD1 ILE B 178 -8.281 -14.001 28.597 1.00 4.29 C ATOM 0 HA ILE B 178 -5.658 -13.123 28.835 1.00 2.43 H new ATOM 0 HB ILE B 178 -7.257 -10.854 27.576 1.00 2.91 H new ATOM 0 HG12 ILE B 178 -8.545 -12.014 29.332 1.00 3.35 H new ATOM 0 HG13 ILE B 178 -9.203 -12.282 27.730 1.00 3.35 H new ATOM 0 HG21 ILE B 178 -7.631 -12.472 25.755 1.00 3.53 H new ATOM 0 HG22 ILE B 178 -5.900 -12.124 25.981 1.00 3.53 H new ATOM 0 HG23 ILE B 178 -6.588 -13.647 26.591 1.00 3.53 H new ATOM 0 HD11 ILE B 178 -9.214 -14.350 29.039 1.00 4.29 H new ATOM 0 HD12 ILE B 178 -8.122 -14.502 27.642 1.00 4.29 H new ATOM 0 HD13 ILE B 178 -7.453 -14.230 29.269 1.00 4.29 H new ATOM 1108 N PRO B 179 -3.643 -12.070 27.736 1.00 1.95 N ATOM 1109 CA PRO B 179 -2.433 -11.472 27.159 1.00 2.20 C ATOM 1110 C PRO B 179 -2.731 -10.712 25.870 1.00 1.86 C ATOM 1111 O PRO B 179 -3.884 -10.398 25.577 1.00 2.05 O ATOM 1112 CB PRO B 179 -1.527 -12.678 26.877 1.00 3.39 C ATOM 1113 CG PRO B 179 -2.444 -13.851 26.835 1.00 3.73 C ATOM 1114 CD PRO B 179 -3.554 -13.539 27.796 1.00 2.94 C ATOM 0 HA PRO B 179 -1.981 -10.740 27.828 1.00 2.20 H new ATOM 0 HB2 PRO B 179 -0.995 -12.559 25.933 1.00 3.39 H new ATOM 0 HB3 PRO B 179 -0.773 -12.795 27.655 1.00 3.39 H new ATOM 0 HG2 PRO B 179 -2.831 -14.008 25.828 1.00 3.73 H new ATOM 0 HG3 PRO B 179 -1.923 -14.764 27.123 1.00 3.73 H new ATOM 0 HD2 PRO B 179 -4.490 -14.012 27.499 1.00 2.94 H new ATOM 0 HD3 PRO B 179 -3.326 -13.888 28.803 1.00 2.94 H new ATOM 1122 N GLY B 180 -1.683 -10.418 25.102 1.00 2.19 N ATOM 1123 CA GLY B 180 -1.855 -9.696 23.853 1.00 2.27 C ATOM 1124 C GLY B 180 -2.973 -10.262 22.998 1.00 1.83 C ATOM 1125 O GLY B 180 -3.981 -9.594 22.764 1.00 2.29 O ATOM 0 H GLY B 180 -0.719 -10.667 25.323 1.00 2.19 H new ATOM 0 HA2 GLY B 180 -2.064 -8.648 24.070 1.00 2.27 H new ATOM 0 HA3 GLY B 180 -0.922 -9.725 23.290 1.00 2.27 H new ATOM 1129 N LYS B 181 -2.797 -11.497 22.538 1.00 1.82 N ATOM 1130 CA LYS B 181 -3.798 -12.158 21.709 1.00 2.03 C ATOM 1131 C LYS B 181 -4.101 -11.343 20.454 1.00 1.64 C ATOM 1132 O LYS B 181 -4.723 -10.284 20.524 1.00 2.18 O ATOM 1133 CB LYS B 181 -5.080 -12.382 22.513 1.00 3.19 C ATOM 1134 CG LYS B 181 -5.566 -13.821 22.489 1.00 3.92 C ATOM 1135 CD LYS B 181 -7.044 -13.916 22.834 1.00 4.53 C ATOM 1136 CE LYS B 181 -7.885 -14.239 21.610 1.00 5.50 C ATOM 1137 NZ LYS B 181 -9.337 -14.305 21.935 1.00 6.01 N ATOM 0 H LYS B 181 -1.968 -12.061 22.726 1.00 1.82 H new ATOM 0 HA LYS B 181 -3.397 -13.122 21.397 1.00 2.03 H new ATOM 0 HB2 LYS B 181 -4.908 -12.082 23.547 1.00 3.19 H new ATOM 0 HB3 LYS B 181 -5.864 -11.735 22.119 1.00 3.19 H new ATOM 0 HG2 LYS B 181 -5.394 -14.248 21.501 1.00 3.92 H new ATOM 0 HG3 LYS B 181 -4.987 -14.413 23.197 1.00 3.92 H new ATOM 0 HD2 LYS B 181 -7.193 -14.686 23.592 1.00 4.53 H new ATOM 0 HD3 LYS B 181 -7.378 -12.973 23.267 1.00 4.53 H new ATOM 0 HE2 LYS B 181 -7.718 -13.481 20.845 1.00 5.50 H new ATOM 0 HE3 LYS B 181 -7.563 -15.192 21.190 1.00 5.50 H new ATOM 0 HZ1 LYS B 181 -9.876 -14.527 21.074 1.00 6.01 H new ATOM 0 HZ2 LYS B 181 -9.500 -15.046 22.646 1.00 6.01 H new ATOM 0 HZ3 LYS B 181 -9.650 -13.388 22.312 1.00 6.01 H new ATOM 1151 N ARG B 182 -3.667 -11.856 19.305 1.00 1.66 N ATOM 1152 CA ARG B 182 -3.896 -11.191 18.029 1.00 2.06 C ATOM 1153 C ARG B 182 -3.387 -9.749 18.053 1.00 1.96 C ATOM 1154 O ARG B 182 -3.969 -8.884 18.707 1.00 2.87 O ATOM 1155 CB ARG B 182 -5.383 -11.229 17.697 1.00 3.27 C ATOM 1156 CG ARG B 182 -5.746 -12.277 16.657 1.00 4.04 C ATOM 1157 CD ARG B 182 -6.732 -13.295 17.209 1.00 4.81 C ATOM 1158 NE ARG B 182 -6.488 -14.636 16.685 1.00 5.38 N ATOM 1159 CZ ARG B 182 -6.900 -15.753 17.281 1.00 5.95 C ATOM 1160 NH1 ARG B 182 -7.577 -15.694 18.422 1.00 6.10 N ATOM 1161 NH2 ARG B 182 -6.636 -16.931 16.734 1.00 6.67 N ATOM 0 H ARG B 182 -3.153 -12.734 19.234 1.00 1.66 H new ATOM 0 HA ARG B 182 -3.339 -11.720 17.256 1.00 2.06 H new ATOM 0 HB2 ARG B 182 -5.946 -11.424 18.610 1.00 3.27 H new ATOM 0 HB3 ARG B 182 -5.692 -10.248 17.336 1.00 3.27 H new ATOM 0 HG2 ARG B 182 -6.177 -11.789 15.783 1.00 4.04 H new ATOM 0 HG3 ARG B 182 -4.843 -12.788 16.324 1.00 4.04 H new ATOM 0 HD2 ARG B 182 -6.663 -13.313 18.297 1.00 4.81 H new ATOM 0 HD3 ARG B 182 -7.748 -12.988 16.959 1.00 4.81 H new ATOM 0 HE ARG B 182 -5.971 -14.722 15.810 1.00 5.38 H new ATOM 0 HH11 ARG B 182 -7.784 -14.790 18.846 1.00 6.10 H new ATOM 0 HH12 ARG B 182 -7.890 -16.553 18.874 1.00 6.10 H new ATOM 0 HH21 ARG B 182 -6.118 -16.981 15.857 1.00 6.67 H new ATOM 0 HH22 ARG B 182 -6.951 -17.787 17.190 1.00 6.67 H new ATOM 1175 N THR B 183 -2.295 -9.501 17.335 1.00 1.59 N ATOM 1176 CA THR B 183 -1.702 -8.167 17.277 1.00 2.20 C ATOM 1177 C THR B 183 -2.255 -7.357 16.105 1.00 2.09 C ATOM 1178 O THR B 183 -1.686 -6.334 15.723 1.00 2.78 O ATOM 1179 CB THR B 183 -0.181 -8.275 17.170 1.00 3.19 C ATOM 1180 OG1 THR B 183 0.347 -9.000 18.268 1.00 3.61 O ATOM 1181 CG2 THR B 183 0.513 -6.932 17.131 1.00 4.26 C ATOM 0 H THR B 183 -1.803 -10.205 16.785 1.00 1.59 H new ATOM 0 HA THR B 183 -1.964 -7.644 18.197 1.00 2.20 H new ATOM 0 HB THR B 183 0.007 -8.790 16.228 1.00 3.19 H new ATOM 0 HG1 THR B 183 1.321 -9.061 18.182 1.00 3.61 H new ATOM 0 HG21 THR B 183 1.590 -7.081 17.055 1.00 4.26 H new ATOM 0 HG22 THR B 183 0.163 -6.366 16.267 1.00 4.26 H new ATOM 0 HG23 THR B 183 0.287 -6.379 18.043 1.00 4.26 H new ATOM 1189 N GLU B 184 -3.373 -7.815 15.550 1.00 1.92 N ATOM 1190 CA GLU B 184 -4.022 -7.136 14.426 1.00 2.53 C ATOM 1191 C GLU B 184 -2.998 -6.599 13.425 1.00 1.88 C ATOM 1192 O GLU B 184 -2.955 -5.400 13.149 1.00 1.78 O ATOM 1193 CB GLU B 184 -4.906 -5.994 14.933 1.00 3.62 C ATOM 1194 CG GLU B 184 -4.302 -5.210 16.088 1.00 4.59 C ATOM 1195 CD GLU B 184 -5.158 -4.030 16.504 1.00 5.38 C ATOM 1196 OE1 GLU B 184 -6.109 -4.234 17.287 1.00 6.05 O ATOM 1197 OE2 GLU B 184 -4.878 -2.903 16.046 1.00 5.66 O ATOM 0 H GLU B 184 -3.854 -8.659 15.861 1.00 1.92 H new ATOM 0 HA GLU B 184 -4.642 -7.870 13.911 1.00 2.53 H new ATOM 0 HB2 GLU B 184 -5.106 -5.310 14.108 1.00 3.62 H new ATOM 0 HB3 GLU B 184 -5.866 -6.404 15.248 1.00 3.62 H new ATOM 0 HG2 GLU B 184 -4.167 -5.874 16.941 1.00 4.59 H new ATOM 0 HG3 GLU B 184 -3.313 -4.853 15.802 1.00 4.59 H new ATOM 1204 N SER B 185 -2.180 -7.494 12.882 1.00 1.58 N ATOM 1205 CA SER B 185 -1.161 -7.106 11.912 1.00 1.18 C ATOM 1206 C SER B 185 -1.655 -7.338 10.488 1.00 1.01 C ATOM 1207 O SER B 185 -2.802 -7.731 10.276 1.00 1.15 O ATOM 1208 CB SER B 185 0.132 -7.888 12.157 1.00 1.56 C ATOM 1209 OG SER B 185 1.180 -7.024 12.561 1.00 1.90 O ATOM 0 H SER B 185 -2.202 -8.491 13.096 1.00 1.58 H new ATOM 0 HA SER B 185 -0.958 -6.042 12.037 1.00 1.18 H new ATOM 0 HB2 SER B 185 -0.036 -8.644 12.924 1.00 1.56 H new ATOM 0 HB3 SER B 185 0.420 -8.415 11.247 1.00 1.56 H new ATOM 0 HG SER B 185 1.995 -7.547 12.713 1.00 1.90 H new ATOM 1215 N PHE B 186 -0.784 -7.095 9.515 1.00 0.90 N ATOM 1216 CA PHE B 186 -1.139 -7.280 8.113 1.00 0.80 C ATOM 1217 C PHE B 186 -0.039 -8.023 7.371 1.00 0.76 C ATOM 1218 O PHE B 186 1.128 -7.972 7.761 1.00 1.01 O ATOM 1219 CB PHE B 186 -1.398 -5.931 7.442 1.00 0.81 C ATOM 1220 CG PHE B 186 -2.346 -6.015 6.283 1.00 0.71 C ATOM 1221 CD1 PHE B 186 -3.601 -6.587 6.437 1.00 1.14 C ATOM 1222 CD2 PHE B 186 -1.987 -5.531 5.033 1.00 1.32 C ATOM 1223 CE1 PHE B 186 -4.470 -6.667 5.378 1.00 1.10 C ATOM 1224 CE2 PHE B 186 -2.858 -5.613 3.971 1.00 1.39 C ATOM 1225 CZ PHE B 186 -4.100 -6.181 4.147 1.00 0.77 C ATOM 0 H PHE B 186 0.170 -6.770 9.671 1.00 0.90 H new ATOM 0 HA PHE B 186 -2.051 -7.876 8.073 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -1.799 -5.237 8.181 1.00 0.81 H new ATOM 0 HB3 PHE B 186 -0.450 -5.517 7.098 1.00 0.81 H new ATOM 0 HD1 PHE B 186 -3.897 -6.973 7.401 1.00 1.14 H new ATOM 0 HD2 PHE B 186 -1.013 -5.085 4.892 1.00 1.32 H new ATOM 0 HE1 PHE B 186 -5.445 -7.112 5.512 1.00 1.10 H new ATOM 0 HE2 PHE B 186 -2.568 -5.233 3.002 1.00 1.39 H new ATOM 0 HZ PHE B 186 -4.786 -6.245 3.315 1.00 0.77 H new ATOM 1235 N TYR B 187 -0.412 -8.709 6.295 1.00 0.73 N ATOM 1236 CA TYR B 187 0.557 -9.451 5.508 1.00 0.72 C ATOM 1237 C TYR B 187 0.641 -8.924 4.089 1.00 0.79 C ATOM 1238 O TYR B 187 1.310 -7.926 3.838 1.00 1.50 O ATOM 1239 CB TYR B 187 0.260 -10.948 5.549 1.00 0.81 C ATOM 1240 CG TYR B 187 1.156 -11.725 6.493 1.00 0.77 C ATOM 1241 CD1 TYR B 187 2.528 -11.532 6.497 1.00 1.43 C ATOM 1242 CD2 TYR B 187 0.628 -12.661 7.371 1.00 1.42 C ATOM 1243 CE1 TYR B 187 3.349 -12.244 7.344 1.00 1.60 C ATOM 1244 CE2 TYR B 187 1.443 -13.382 8.224 1.00 1.47 C ATOM 1245 CZ TYR B 187 2.803 -13.169 8.206 1.00 1.11 C ATOM 1246 OH TYR B 187 3.619 -13.883 9.053 1.00 1.38 O ATOM 0 H TYR B 187 -1.371 -8.764 5.953 1.00 0.73 H new ATOM 0 HA TYR B 187 1.540 -9.302 5.956 1.00 0.72 H new ATOM 0 HB2 TYR B 187 -0.778 -11.095 5.846 1.00 0.81 H new ATOM 0 HB3 TYR B 187 0.365 -11.357 4.544 1.00 0.81 H new ATOM 0 HD1 TYR B 187 2.963 -10.809 5.823 1.00 1.43 H new ATOM 0 HD2 TYR B 187 -0.439 -12.829 7.388 1.00 1.42 H new ATOM 0 HE1 TYR B 187 4.416 -12.077 7.332 1.00 1.60 H new ATOM 0 HE2 TYR B 187 1.015 -14.108 8.900 1.00 1.47 H new ATOM 0 HH TYR B 187 4.557 -13.697 8.838 1.00 1.38 H new ATOM 1256 N GLU B 188 -0.035 -9.576 3.173 1.00 0.91 N ATOM 1257 CA GLU B 188 -0.024 -9.152 1.786 1.00 1.02 C ATOM 1258 C GLU B 188 -1.380 -8.605 1.396 1.00 1.10 C ATOM 1259 O GLU B 188 -1.525 -8.008 0.330 1.00 1.30 O ATOM 1260 CB GLU B 188 0.378 -10.298 0.858 1.00 1.06 C ATOM 1261 CG GLU B 188 0.785 -9.839 -0.532 1.00 1.38 C ATOM 1262 CD GLU B 188 0.844 -10.981 -1.528 1.00 1.69 C ATOM 1263 OE1 GLU B 188 0.206 -12.024 -1.276 1.00 2.25 O ATOM 1264 OE2 GLU B 188 1.529 -10.831 -2.563 1.00 2.31 O ATOM 0 H GLU B 188 -0.601 -10.404 3.360 1.00 0.91 H new ATOM 0 HA GLU B 188 0.720 -8.362 1.680 1.00 1.02 H new ATOM 0 HB2 GLU B 188 1.206 -10.846 1.308 1.00 1.06 H new ATOM 0 HB3 GLU B 188 -0.456 -10.995 0.772 1.00 1.06 H new ATOM 0 HG2 GLU B 188 0.077 -9.090 -0.885 1.00 1.38 H new ATOM 0 HG3 GLU B 188 1.761 -9.356 -0.480 1.00 1.38 H new ATOM 1271 N CYS B 189 -2.367 -8.767 2.285 1.00 1.06 N ATOM 1272 CA CYS B 189 -3.702 -8.226 2.014 1.00 1.30 C ATOM 1273 C CYS B 189 -4.845 -8.852 2.779 1.00 1.39 C ATOM 1274 O CYS B 189 -5.629 -8.148 3.413 1.00 1.52 O ATOM 1275 CB CYS B 189 -4.115 -8.367 0.537 1.00 1.66 C ATOM 1276 SG CYS B 189 -5.931 -8.158 0.257 1.00 2.11 S ATOM 0 H CYS B 189 -2.271 -9.255 3.175 1.00 1.06 H new ATOM 0 HA CYS B 189 -3.568 -7.192 2.331 1.00 1.30 H new ATOM 0 HB2 CYS B 189 -3.576 -7.627 -0.055 1.00 1.66 H new ATOM 0 HB3 CYS B 189 -3.810 -9.349 0.175 1.00 1.66 H new ATOM 1281 N CYS B 190 -5.079 -10.134 2.556 1.00 1.48 N ATOM 1282 CA CYS B 190 -6.308 -10.684 3.095 1.00 1.74 C ATOM 1283 C CYS B 190 -6.376 -12.200 3.244 1.00 2.01 C ATOM 1284 O CYS B 190 -7.459 -12.744 3.469 1.00 2.33 O ATOM 1285 CB CYS B 190 -7.393 -10.210 2.124 1.00 2.06 C ATOM 1286 SG CYS B 190 -6.779 -10.024 0.393 1.00 2.22 S ATOM 0 H CYS B 190 -4.478 -10.777 2.040 1.00 1.48 H new ATOM 0 HA CYS B 190 -6.415 -10.338 4.123 1.00 1.74 H new ATOM 0 HB2 CYS B 190 -8.220 -10.920 2.136 1.00 2.06 H new ATOM 0 HB3 CYS B 190 -7.789 -9.254 2.468 1.00 2.06 H new ATOM 1291 N LYS B 191 -5.265 -12.887 3.131 1.00 2.39 N ATOM 1292 CA LYS B 191 -5.284 -14.337 3.274 1.00 2.79 C ATOM 1293 C LYS B 191 -5.048 -14.753 4.728 1.00 2.64 C ATOM 1294 O LYS B 191 -4.051 -15.392 5.051 1.00 3.24 O ATOM 1295 CB LYS B 191 -4.270 -14.998 2.336 1.00 3.55 C ATOM 1296 CG LYS B 191 -4.890 -16.027 1.405 1.00 4.09 C ATOM 1297 CD LYS B 191 -3.960 -17.210 1.186 1.00 4.63 C ATOM 1298 CE LYS B 191 -2.774 -16.828 0.316 1.00 5.40 C ATOM 1299 NZ LYS B 191 -1.653 -16.269 1.121 1.00 6.03 N ATOM 0 H LYS B 191 -4.348 -12.482 2.944 1.00 2.39 H new ATOM 0 HA LYS B 191 -6.276 -14.686 2.988 1.00 2.79 H new ATOM 0 HB2 LYS B 191 -3.782 -14.227 1.740 1.00 3.55 H new ATOM 0 HB3 LYS B 191 -3.495 -15.479 2.932 1.00 3.55 H new ATOM 0 HG2 LYS B 191 -5.834 -16.377 1.824 1.00 4.09 H new ATOM 0 HG3 LYS B 191 -5.120 -15.561 0.447 1.00 4.09 H new ATOM 0 HD2 LYS B 191 -3.604 -17.578 2.148 1.00 4.63 H new ATOM 0 HD3 LYS B 191 -4.510 -18.025 0.716 1.00 4.63 H new ATOM 0 HE2 LYS B 191 -2.427 -17.705 -0.230 1.00 5.40 H new ATOM 0 HE3 LYS B 191 -3.089 -16.095 -0.426 1.00 5.40 H new ATOM 0 HZ1 LYS B 191 -0.769 -16.336 0.578 1.00 6.03 H new ATOM 0 HZ2 LYS B 191 -1.848 -15.272 1.343 1.00 6.03 H new ATOM 0 HZ3 LYS B 191 -1.558 -16.808 2.005 1.00 6.03 H new ATOM 1313 N GLU B 192 -5.992 -14.388 5.597 1.00 2.26 N ATOM 1314 CA GLU B 192 -5.929 -14.720 7.026 1.00 2.67 C ATOM 1315 C GLU B 192 -5.022 -13.759 7.799 1.00 2.38 C ATOM 1316 O GLU B 192 -3.953 -13.390 7.329 1.00 2.93 O ATOM 1317 CB GLU B 192 -5.453 -16.161 7.227 1.00 3.10 C ATOM 1318 CG GLU B 192 -6.035 -17.142 6.221 1.00 3.47 C ATOM 1319 CD GLU B 192 -6.399 -18.474 6.848 1.00 4.40 C ATOM 1320 OE1 GLU B 192 -5.474 -19.234 7.203 1.00 4.89 O ATOM 1321 OE2 GLU B 192 -7.608 -18.756 6.982 1.00 5.00 O ATOM 0 H GLU B 192 -6.821 -13.855 5.333 1.00 2.26 H new ATOM 0 HA GLU B 192 -6.939 -14.617 7.422 1.00 2.67 H new ATOM 0 HB2 GLU B 192 -4.365 -16.188 7.160 1.00 3.10 H new ATOM 0 HB3 GLU B 192 -5.719 -16.485 8.233 1.00 3.10 H new ATOM 0 HG2 GLU B 192 -6.923 -16.705 5.765 1.00 3.47 H new ATOM 0 HG3 GLU B 192 -5.314 -17.307 5.421 1.00 3.47 H new ATOM 1328 N PRO B 193 -5.442 -13.339 9.008 1.00 2.14 N ATOM 1329 CA PRO B 193 -4.664 -12.414 9.846 1.00 2.47 C ATOM 1330 C PRO B 193 -3.198 -12.822 9.976 1.00 1.99 C ATOM 1331 O PRO B 193 -2.863 -14.004 9.896 1.00 2.45 O ATOM 1332 CB PRO B 193 -5.361 -12.504 11.204 1.00 3.13 C ATOM 1333 CG PRO B 193 -6.770 -12.855 10.878 1.00 3.10 C ATOM 1334 CD PRO B 193 -6.711 -13.731 9.655 1.00 2.42 C ATOM 0 HA PRO B 193 -4.638 -11.410 9.422 1.00 2.47 H new ATOM 0 HB2 PRO B 193 -4.900 -13.262 11.837 1.00 3.13 H new ATOM 0 HB3 PRO B 193 -5.302 -11.559 11.744 1.00 3.13 H new ATOM 0 HG2 PRO B 193 -7.243 -13.378 11.709 1.00 3.10 H new ATOM 0 HG3 PRO B 193 -7.361 -11.959 10.687 1.00 3.10 H new ATOM 0 HD2 PRO B 193 -6.717 -14.789 9.919 1.00 2.42 H new ATOM 0 HD3 PRO B 193 -7.565 -13.562 8.999 1.00 2.42 H new ATOM 1342 N TYR B 194 -2.331 -11.833 10.185 1.00 1.31 N ATOM 1343 CA TYR B 194 -0.901 -12.090 10.336 1.00 1.18 C ATOM 1344 C TYR B 194 -0.636 -12.937 11.579 1.00 1.71 C ATOM 1345 O TYR B 194 0.058 -13.951 11.507 1.00 2.54 O ATOM 1346 CB TYR B 194 -0.118 -10.767 10.404 1.00 1.12 C ATOM 1347 CG TYR B 194 1.383 -10.938 10.571 1.00 0.95 C ATOM 1348 CD1 TYR B 194 1.916 -11.469 11.738 1.00 1.68 C ATOM 1349 CD2 TYR B 194 2.266 -10.558 9.564 1.00 1.53 C ATOM 1350 CE1 TYR B 194 3.278 -11.623 11.898 1.00 2.15 C ATOM 1351 CE2 TYR B 194 3.632 -10.708 9.721 1.00 1.83 C ATOM 1352 CZ TYR B 194 4.131 -11.241 10.889 1.00 1.92 C ATOM 1353 OH TYR B 194 5.489 -11.389 11.047 1.00 2.59 O ATOM 0 H TYR B 194 -2.593 -10.850 10.253 1.00 1.31 H new ATOM 0 HA TYR B 194 -0.558 -12.646 9.464 1.00 1.18 H new ATOM 0 HB2 TYR B 194 -0.308 -10.198 9.494 1.00 1.12 H new ATOM 0 HB3 TYR B 194 -0.499 -10.175 11.236 1.00 1.12 H new ATOM 0 HD1 TYR B 194 1.252 -11.767 12.536 1.00 1.68 H new ATOM 0 HD2 TYR B 194 1.879 -10.140 8.647 1.00 1.53 H new ATOM 0 HE1 TYR B 194 3.673 -12.042 12.812 1.00 2.15 H new ATOM 0 HE2 TYR B 194 4.305 -10.408 8.931 1.00 1.83 H new ATOM 0 HH TYR B 194 5.957 -10.813 10.407 1.00 2.59 H new ATOM 1363 N PRO B 195 -1.186 -12.540 12.744 1.00 1.85 N ATOM 1364 CA PRO B 195 -0.999 -13.279 13.994 1.00 2.64 C ATOM 1365 C PRO B 195 -1.896 -14.510 14.085 1.00 2.98 C ATOM 1366 O PRO B 195 -3.121 -14.394 14.128 1.00 3.23 O ATOM 1367 CB PRO B 195 -1.390 -12.256 15.058 1.00 3.06 C ATOM 1368 CG PRO B 195 -2.414 -11.402 14.394 1.00 2.77 C ATOM 1369 CD PRO B 195 -2.033 -11.342 12.937 1.00 2.02 C ATOM 0 HA PRO B 195 0.016 -13.663 14.096 1.00 2.64 H new ATOM 0 HB2 PRO B 195 -1.793 -12.742 15.947 1.00 3.06 H new ATOM 0 HB3 PRO B 195 -0.530 -11.668 15.379 1.00 3.06 H new ATOM 0 HG2 PRO B 195 -3.412 -11.823 14.518 1.00 2.77 H new ATOM 0 HG3 PRO B 195 -2.432 -10.404 14.833 1.00 2.77 H new ATOM 0 HD2 PRO B 195 -2.912 -11.365 12.292 1.00 2.02 H new ATOM 0 HD3 PRO B 195 -1.490 -10.426 12.703 1.00 2.02 H new ATOM 1377 N ASP B 196 -1.280 -15.687 14.115 1.00 3.61 N ATOM 1378 CA ASP B 196 -2.025 -16.938 14.207 1.00 4.37 C ATOM 1379 C ASP B 196 -2.951 -17.114 13.006 1.00 5.06 C ATOM 1380 O ASP B 196 -2.618 -17.926 12.117 1.00 5.38 O ATOM 1381 CB ASP B 196 -2.839 -16.974 15.502 1.00 4.92 C ATOM 1382 CG ASP B 196 -2.702 -18.292 16.237 1.00 5.20 C ATOM 1383 OD1 ASP B 196 -3.295 -19.291 15.777 1.00 5.27 O ATOM 1384 OD2 ASP B 196 -2.003 -18.326 17.271 1.00 5.72 O ATOM 0 H ASP B 196 -0.267 -15.801 14.077 1.00 3.61 H new ATOM 0 HA ASP B 196 -1.308 -17.759 14.211 1.00 4.37 H new ATOM 0 HB2 ASP B 196 -2.515 -16.163 16.154 1.00 4.92 H new ATOM 0 HB3 ASP B 196 -3.890 -16.797 15.272 1.00 4.92 H new