USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -158:sc= -0.446 (180deg=-1.27) USER MOD Set 1.2: A 71 GLN : amide:sc= -1.55 K(o=-2,f=-0.39) USER MOD Set 2.1: A 5 THR OG1 : rot -34:sc= 1.5! USER MOD Set 2.2: A 8 THR OG1 : rot 28:sc= -0.587 USER MOD Single : A 1 ILE N :NH3+ -133:sc= -1.32 (180deg=-1.8!) USER MOD Single : A 4 HIS : no HD1:sc= -18.9! C(o=-19!,f=-21!) USER MOD Single : A 6 THR OG1 : rot 54:sc= -4.75! USER MOD Single : A 9 SER OG : rot 180:sc= -0.219 USER MOD Single : A 12 SER OG : rot -88:sc= 0.663 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 21 ASN : amide:sc= -21.9! C(o=-22!,f=-20!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -128:sc= -0.64 (180deg=-2.37!) USER MOD Single : A 27 MET CE :methyl 155:sc= -0.016 (180deg=-1.22!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0232 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 83:sc= 0.564 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 102:sc= 0.0975 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -6.37! C(o=-6.4!,f=-10!) USER MOD Single : A 68 HIS : no HE2:sc= -12.1! C(o=-12!,f=-18!) USER MOD Single : B 3 TYR OH : rot 180:sc= -0.908 USER MOD Single : B 4 TYR OH : rot 180:sc= -4.19! USER MOD Single : B 6 SER OG : rot 75:sc= 0.421 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -8.012 14.554 -5.532 1.00 0.00 N ATOM 2 CA ILE A 1 -6.671 14.698 -4.894 1.00 0.00 C ATOM 3 C ILE A 1 -5.625 13.888 -5.666 1.00 0.00 C ATOM 4 O ILE A 1 -5.942 13.168 -6.592 1.00 0.00 O ATOM 5 CB ILE A 1 -6.845 14.143 -3.480 1.00 0.00 C ATOM 6 CG1 ILE A 1 -7.330 12.693 -3.556 1.00 0.00 C ATOM 7 CG2 ILE A 1 -7.875 14.985 -2.725 1.00 0.00 C ATOM 8 CD1 ILE A 1 -6.922 11.949 -2.282 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.453 15.491 -5.629 1.00 0.00 H new ATOM 0 H2 ILE A 1 -7.905 14.123 -6.472 1.00 0.00 H new ATOM 0 H3 ILE A 1 -8.615 13.948 -4.940 1.00 0.00 H new ATOM 0 HA ILE A 1 -6.326 15.732 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 1 -5.890 14.180 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -8.413 12.667 -3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -6.902 12.201 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -7.999 14.590 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -7.531 16.018 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.830 14.948 -3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -7.268 10.917 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -5.837 11.963 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -7.371 12.436 -1.416 1.00 0.00 H new ATOM 22 N VAL A 2 -4.380 14.002 -5.292 1.00 0.00 N ATOM 23 CA VAL A 2 -3.312 13.239 -6.003 1.00 0.00 C ATOM 24 C VAL A 2 -3.039 11.921 -5.284 1.00 0.00 C ATOM 25 O VAL A 2 -3.316 11.770 -4.111 1.00 0.00 O ATOM 26 CB VAL A 2 -2.078 14.131 -5.939 1.00 0.00 C ATOM 27 CG1 VAL A 2 -1.005 13.602 -6.888 1.00 0.00 C ATOM 28 CG2 VAL A 2 -2.456 15.556 -6.340 1.00 0.00 C ATOM 0 H VAL A 2 -4.055 14.590 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.595 12.998 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.688 14.130 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.126 14.244 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.731 12.588 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.392 13.596 -7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.573 16.193 -6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.851 15.556 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.215 15.937 -5.656 1.00 0.00 H new ATOM 38 N CYS A 3 -2.505 10.963 -5.982 1.00 0.00 N ATOM 39 CA CYS A 3 -2.219 9.651 -5.349 1.00 0.00 C ATOM 40 C CYS A 3 -0.887 9.093 -5.846 1.00 0.00 C ATOM 41 O CYS A 3 -0.358 9.533 -6.846 1.00 0.00 O ATOM 42 CB CYS A 3 -3.359 8.756 -5.804 1.00 0.00 C ATOM 43 SG CYS A 3 -4.933 9.617 -5.579 1.00 0.00 S ATOM 0 H CYS A 3 -2.253 11.033 -6.968 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.146 9.724 -4.264 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.227 8.486 -6.852 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.356 7.828 -5.233 1.00 0.00 H new ATOM 48 N HIS A 4 -0.352 8.109 -5.173 1.00 0.00 N ATOM 49 CA HIS A 4 0.937 7.516 -5.632 1.00 0.00 C ATOM 50 C HIS A 4 0.648 6.309 -6.505 1.00 0.00 C ATOM 51 O HIS A 4 -0.355 5.645 -6.334 1.00 0.00 O ATOM 52 CB HIS A 4 1.665 7.090 -4.375 1.00 0.00 C ATOM 53 CG HIS A 4 1.516 8.150 -3.319 1.00 0.00 C ATOM 54 ND1 HIS A 4 1.634 9.493 -3.622 1.00 0.00 N ATOM 55 CD2 HIS A 4 1.263 8.091 -1.970 1.00 0.00 C ATOM 56 CE1 HIS A 4 1.453 10.186 -2.484 1.00 0.00 C ATOM 57 NE2 HIS A 4 1.223 9.380 -1.445 1.00 0.00 N ATOM 0 H HIS A 4 -0.749 7.693 -4.331 1.00 0.00 H new ATOM 0 HA HIS A 4 1.531 8.219 -6.215 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.263 6.144 -4.013 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.720 6.926 -4.592 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.117 7.183 -1.403 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.489 11.263 -2.419 1.00 0.00 H new ATOM 0 HE2 HIS A 4 1.054 9.650 -0.476 1.00 0.00 H new ATOM 65 N THR A 5 1.495 6.002 -7.442 1.00 0.00 N ATOM 66 CA THR A 5 1.203 4.826 -8.290 1.00 0.00 C ATOM 67 C THR A 5 2.332 3.819 -8.228 1.00 0.00 C ATOM 68 O THR A 5 3.412 4.011 -8.751 1.00 0.00 O ATOM 69 CB THR A 5 1.035 5.325 -9.717 1.00 0.00 C ATOM 70 OG1 THR A 5 2.233 5.096 -10.440 1.00 0.00 O ATOM 71 CG2 THR A 5 0.679 6.816 -9.749 1.00 0.00 C ATOM 0 H THR A 5 2.358 6.503 -7.653 1.00 0.00 H new ATOM 0 HA THR A 5 0.299 4.329 -7.938 1.00 0.00 H new ATOM 0 HB THR A 5 0.214 4.777 -10.179 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.002 5.202 -9.841 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.566 7.141 -10.783 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.256 6.978 -9.213 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.474 7.390 -9.273 1.00 0.00 H new ATOM 79 N THR A 6 2.054 2.731 -7.622 1.00 0.00 N ATOM 80 CA THR A 6 3.045 1.636 -7.537 1.00 0.00 C ATOM 81 C THR A 6 2.806 0.691 -8.715 1.00 0.00 C ATOM 82 O THR A 6 3.635 -0.127 -9.060 1.00 0.00 O ATOM 83 CB THR A 6 2.725 0.933 -6.217 1.00 0.00 C ATOM 84 OG1 THR A 6 1.370 1.179 -5.883 1.00 0.00 O ATOM 85 CG2 THR A 6 3.623 1.475 -5.107 1.00 0.00 C ATOM 0 H THR A 6 1.162 2.537 -7.166 1.00 0.00 H new ATOM 0 HA THR A 6 4.081 1.974 -7.572 1.00 0.00 H new ATOM 0 HB THR A 6 2.897 -0.138 -6.325 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.796 0.920 -6.634 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.389 0.969 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.667 1.297 -5.364 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.455 2.546 -4.993 1.00 0.00 H new ATOM 93 N ALA A 7 1.637 0.782 -9.300 1.00 0.00 N ATOM 94 CA ALA A 7 1.273 -0.124 -10.425 1.00 0.00 C ATOM 95 C ALA A 7 1.566 0.469 -11.810 1.00 0.00 C ATOM 96 O ALA A 7 1.887 -0.251 -12.734 1.00 0.00 O ATOM 97 CB ALA A 7 -0.224 -0.359 -10.238 1.00 0.00 C ATOM 0 H ALA A 7 0.914 1.454 -9.041 1.00 0.00 H new ATOM 0 HA ALA A 7 1.866 -1.038 -10.398 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.590 -1.020 -11.024 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.401 -0.819 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.751 0.594 -10.290 1.00 0.00 H new ATOM 103 N THR A 8 1.440 1.753 -11.985 1.00 0.00 N ATOM 104 CA THR A 8 1.696 2.331 -13.339 1.00 0.00 C ATOM 105 C THR A 8 3.119 2.887 -13.407 1.00 0.00 C ATOM 106 O THR A 8 4.077 2.141 -13.396 1.00 0.00 O ATOM 107 CB THR A 8 0.657 3.442 -13.499 1.00 0.00 C ATOM 108 OG1 THR A 8 0.629 4.235 -12.320 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.722 2.824 -13.734 1.00 0.00 C ATOM 0 H THR A 8 1.175 2.422 -11.263 1.00 0.00 H new ATOM 0 HA THR A 8 1.612 1.591 -14.135 1.00 0.00 H new ATOM 0 HB THR A 8 0.921 4.067 -14.352 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.508 4.208 -11.887 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.461 3.617 -13.848 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.699 2.217 -14.639 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.990 2.198 -12.883 1.00 0.00 H new ATOM 117 N SER A 9 3.283 4.179 -13.458 1.00 0.00 N ATOM 118 CA SER A 9 4.664 4.723 -13.503 1.00 0.00 C ATOM 119 C SER A 9 5.320 4.442 -12.157 1.00 0.00 C ATOM 120 O SER A 9 4.708 3.842 -11.295 1.00 0.00 O ATOM 121 CB SER A 9 4.500 6.226 -13.727 1.00 0.00 C ATOM 122 OG SER A 9 5.089 6.582 -14.971 1.00 0.00 O ATOM 0 H SER A 9 2.533 4.870 -13.470 1.00 0.00 H new ATOM 0 HA SER A 9 5.282 4.282 -14.285 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.443 6.493 -13.722 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.972 6.780 -12.916 1.00 0.00 H new ATOM 0 HG SER A 9 4.984 7.545 -15.119 1.00 0.00 H new ATOM 128 N PRO A 10 6.534 4.873 -12.000 1.00 0.00 N ATOM 129 CA PRO A 10 7.229 4.637 -10.724 1.00 0.00 C ATOM 130 C PRO A 10 6.570 5.428 -9.611 1.00 0.00 C ATOM 131 O PRO A 10 6.100 6.530 -9.810 1.00 0.00 O ATOM 132 CB PRO A 10 8.649 5.107 -10.981 1.00 0.00 C ATOM 133 CG PRO A 10 8.534 6.069 -12.121 1.00 0.00 C ATOM 134 CD PRO A 10 7.363 5.612 -12.957 1.00 0.00 C ATOM 0 HA PRO A 10 7.199 3.595 -10.407 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.072 5.588 -10.099 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.302 4.272 -11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.377 7.084 -11.757 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.450 6.081 -12.712 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.824 6.455 -13.389 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.682 4.979 -13.785 1.00 0.00 H new ATOM 142 N ILE A 11 6.521 4.847 -8.451 1.00 0.00 N ATOM 143 CA ILE A 11 5.885 5.508 -7.285 1.00 0.00 C ATOM 144 C ILE A 11 6.049 7.019 -7.364 1.00 0.00 C ATOM 145 O ILE A 11 7.136 7.558 -7.299 1.00 0.00 O ATOM 146 CB ILE A 11 6.568 4.904 -6.050 1.00 0.00 C ATOM 147 CG1 ILE A 11 5.483 4.250 -5.194 1.00 0.00 C ATOM 148 CG2 ILE A 11 7.301 5.980 -5.233 1.00 0.00 C ATOM 149 CD1 ILE A 11 6.001 4.018 -3.776 1.00 0.00 C ATOM 0 H ILE A 11 6.903 3.921 -8.258 1.00 0.00 H new ATOM 0 HA ILE A 11 4.809 5.339 -7.248 1.00 0.00 H new ATOM 0 HB ILE A 11 7.312 4.173 -6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.598 4.886 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.181 3.302 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.774 5.519 -4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.063 6.452 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.587 6.733 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.220 3.552 -3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.872 3.364 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.281 4.972 -3.330 1.00 0.00 H new ATOM 161 N SER A 12 4.958 7.687 -7.505 1.00 0.00 N ATOM 162 CA SER A 12 4.976 9.161 -7.596 1.00 0.00 C ATOM 163 C SER A 12 3.565 9.657 -7.343 1.00 0.00 C ATOM 164 O SER A 12 2.602 9.011 -7.722 1.00 0.00 O ATOM 165 CB SER A 12 5.415 9.474 -9.025 1.00 0.00 C ATOM 166 OG SER A 12 4.507 8.868 -9.936 1.00 0.00 O ATOM 0 H SER A 12 4.030 7.267 -7.563 1.00 0.00 H new ATOM 0 HA SER A 12 5.643 9.636 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.441 10.552 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.425 9.102 -9.198 1.00 0.00 H new ATOM 0 HG SER A 12 4.798 7.952 -10.127 1.00 0.00 H new ATOM 172 N ALA A 13 3.424 10.774 -6.697 1.00 0.00 N ATOM 173 CA ALA A 13 2.061 11.282 -6.418 1.00 0.00 C ATOM 174 C ALA A 13 1.593 12.200 -7.526 1.00 0.00 C ATOM 175 O ALA A 13 1.738 13.404 -7.453 1.00 0.00 O ATOM 176 CB ALA A 13 2.168 12.068 -5.134 1.00 0.00 C ATOM 0 H ALA A 13 4.189 11.354 -6.352 1.00 0.00 H new ATOM 0 HA ALA A 13 1.348 10.461 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.190 12.472 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.517 11.414 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.875 12.887 -5.267 1.00 0.00 H new ATOM 182 N VAL A 14 1.008 11.655 -8.535 1.00 0.00 N ATOM 183 CA VAL A 14 0.504 12.517 -9.623 1.00 0.00 C ATOM 184 C VAL A 14 -1.005 12.605 -9.506 1.00 0.00 C ATOM 185 O VAL A 14 -1.668 11.649 -9.144 1.00 0.00 O ATOM 186 CB VAL A 14 0.904 11.842 -10.938 1.00 0.00 C ATOM 187 CG1 VAL A 14 2.313 11.277 -10.809 1.00 0.00 C ATOM 188 CG2 VAL A 14 -0.080 10.713 -11.265 1.00 0.00 C ATOM 0 H VAL A 14 0.855 10.654 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 14 0.914 13.526 -9.576 1.00 0.00 H new ATOM 0 HB VAL A 14 0.880 12.577 -11.743 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.599 10.796 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.010 12.085 -10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.339 10.545 -10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.210 10.237 -12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.066 9.975 -10.463 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.085 11.123 -11.363 1.00 0.00 H new ATOM 198 N THR A 15 -1.547 13.735 -9.802 1.00 0.00 N ATOM 199 CA THR A 15 -3.024 13.879 -9.718 1.00 0.00 C ATOM 200 C THR A 15 -3.671 12.644 -10.343 1.00 0.00 C ATOM 201 O THR A 15 -3.019 11.881 -11.027 1.00 0.00 O ATOM 202 CB THR A 15 -3.358 15.129 -10.524 1.00 0.00 C ATOM 203 OG1 THR A 15 -2.576 16.218 -10.054 1.00 0.00 O ATOM 204 CG2 THR A 15 -4.842 15.451 -10.358 1.00 0.00 C ATOM 0 H THR A 15 -1.041 14.569 -10.099 1.00 0.00 H new ATOM 0 HA THR A 15 -3.386 13.967 -8.694 1.00 0.00 H new ATOM 0 HB THR A 15 -3.138 14.958 -11.578 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.789 17.022 -10.573 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.087 16.344 -10.932 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.439 14.613 -10.718 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.061 15.626 -9.305 1.00 0.00 H new ATOM 212 N CYS A 16 -4.927 12.409 -10.108 1.00 0.00 N ATOM 213 CA CYS A 16 -5.540 11.190 -10.692 1.00 0.00 C ATOM 214 C CYS A 16 -6.967 11.442 -11.175 1.00 0.00 C ATOM 215 O CYS A 16 -7.865 11.650 -10.383 1.00 0.00 O ATOM 216 CB CYS A 16 -5.544 10.192 -9.543 1.00 0.00 C ATOM 217 SG CYS A 16 -4.082 9.135 -9.660 1.00 0.00 S ATOM 0 H CYS A 16 -5.546 12.995 -9.548 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.990 10.843 -11.566 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.550 10.719 -8.589 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.449 9.585 -9.577 1.00 0.00 H new ATOM 222 N PRO A 17 -7.134 11.376 -12.469 1.00 0.00 N ATOM 223 CA PRO A 17 -8.472 11.558 -13.063 1.00 0.00 C ATOM 224 C PRO A 17 -9.384 10.330 -12.825 1.00 0.00 C ATOM 225 O PRO A 17 -10.586 10.489 -12.750 1.00 0.00 O ATOM 226 CB PRO A 17 -8.187 11.770 -14.548 1.00 0.00 C ATOM 227 CG PRO A 17 -6.858 11.131 -14.796 1.00 0.00 C ATOM 228 CD PRO A 17 -6.100 11.142 -13.488 1.00 0.00 C ATOM 0 HA PRO A 17 -9.013 12.392 -12.617 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.962 11.315 -15.165 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.164 12.831 -14.795 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.984 10.111 -15.158 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.308 11.675 -15.563 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.583 10.197 -13.320 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.343 11.926 -13.474 1.00 0.00 H new ATOM 236 N PRO A 18 -8.815 9.138 -12.703 1.00 0.00 N ATOM 237 CA PRO A 18 -9.661 7.942 -12.466 1.00 0.00 C ATOM 238 C PRO A 18 -10.131 7.915 -11.011 1.00 0.00 C ATOM 239 O PRO A 18 -11.147 7.332 -10.687 1.00 0.00 O ATOM 240 CB PRO A 18 -8.734 6.770 -12.758 1.00 0.00 C ATOM 241 CG PRO A 18 -7.356 7.295 -12.524 1.00 0.00 C ATOM 242 CD PRO A 18 -7.389 8.782 -12.770 1.00 0.00 C ATOM 0 HA PRO A 18 -10.559 7.923 -13.084 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.950 5.925 -12.105 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.853 6.419 -13.783 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.033 7.082 -11.505 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.643 6.812 -13.192 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.810 9.321 -12.020 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.963 9.033 -13.742 1.00 0.00 H new ATOM 250 N GLY A 19 -9.410 8.561 -10.133 1.00 0.00 N ATOM 251 CA GLY A 19 -9.830 8.591 -8.707 1.00 0.00 C ATOM 252 C GLY A 19 -10.978 9.577 -8.594 1.00 0.00 C ATOM 253 O GLY A 19 -10.794 10.742 -8.300 1.00 0.00 O ATOM 0 H GLY A 19 -8.550 9.068 -10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.141 7.600 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.000 8.893 -8.068 1.00 0.00 H new ATOM 257 N GLU A 20 -12.157 9.120 -8.868 1.00 0.00 N ATOM 258 CA GLU A 20 -13.335 10.017 -8.830 1.00 0.00 C ATOM 259 C GLU A 20 -13.650 10.466 -7.398 1.00 0.00 C ATOM 260 O GLU A 20 -14.561 11.236 -7.169 1.00 0.00 O ATOM 261 CB GLU A 20 -14.451 9.170 -9.456 1.00 0.00 C ATOM 262 CG GLU A 20 -15.693 9.124 -8.555 1.00 0.00 C ATOM 263 CD GLU A 20 -16.851 8.476 -9.314 1.00 0.00 C ATOM 264 OE1 GLU A 20 -16.934 8.680 -10.514 1.00 0.00 O ATOM 265 OE2 GLU A 20 -17.635 7.786 -8.683 1.00 0.00 O ATOM 0 H GLU A 20 -12.359 8.152 -9.120 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.187 10.952 -9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.720 9.582 -10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.087 8.157 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.477 8.558 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.967 10.132 -8.244 1.00 0.00 H new ATOM 272 N ASN A 21 -12.900 10.014 -6.437 1.00 0.00 N ATOM 273 CA ASN A 21 -13.154 10.437 -5.051 1.00 0.00 C ATOM 274 C ASN A 21 -11.855 10.416 -4.233 1.00 0.00 C ATOM 275 O ASN A 21 -11.668 11.234 -3.355 1.00 0.00 O ATOM 276 CB ASN A 21 -14.186 9.446 -4.518 1.00 0.00 C ATOM 277 CG ASN A 21 -13.510 8.154 -4.080 1.00 0.00 C ATOM 278 OD1 ASN A 21 -13.732 7.670 -2.991 1.00 0.00 O ATOM 279 ND2 ASN A 21 -12.714 7.565 -4.908 1.00 0.00 N ATOM 0 H ASN A 21 -12.121 9.367 -6.560 1.00 0.00 H new ATOM 0 HA ASN A 21 -13.523 11.460 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.721 9.887 -3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.926 9.233 -5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.267 6.686 -4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.532 7.979 -5.823 1.00 0.00 H new ATOM 286 N LEU A 22 -10.936 9.518 -4.513 1.00 0.00 N ATOM 287 CA LEU A 22 -9.663 9.533 -3.726 1.00 0.00 C ATOM 288 C LEU A 22 -8.644 8.527 -4.263 1.00 0.00 C ATOM 289 O LEU A 22 -8.741 8.052 -5.373 1.00 0.00 O ATOM 290 CB LEU A 22 -10.049 9.190 -2.283 1.00 0.00 C ATOM 291 CG LEU A 22 -10.949 7.956 -2.237 1.00 0.00 C ATOM 292 CD1 LEU A 22 -10.123 6.730 -1.847 1.00 0.00 C ATOM 293 CD2 LEU A 22 -12.041 8.176 -1.187 1.00 0.00 C ATOM 0 H LEU A 22 -11.009 8.797 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.185 10.510 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.149 9.011 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.563 10.037 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.397 7.795 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.768 5.852 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.334 6.574 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.678 6.889 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.689 7.300 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.581 8.332 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.632 9.052 -1.454 1.00 0.00 H new ATOM 305 N CYS A 23 -7.665 8.210 -3.457 1.00 0.00 N ATOM 306 CA CYS A 23 -6.612 7.240 -3.857 1.00 0.00 C ATOM 307 C CYS A 23 -6.929 5.874 -3.257 1.00 0.00 C ATOM 308 O CYS A 23 -7.935 5.695 -2.599 1.00 0.00 O ATOM 309 CB CYS A 23 -5.339 7.791 -3.230 1.00 0.00 C ATOM 310 SG CYS A 23 -5.203 9.560 -3.584 1.00 0.00 S ATOM 0 H CYS A 23 -7.552 8.593 -2.518 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.532 7.120 -4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.351 7.626 -2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.470 7.263 -3.624 1.00 0.00 H new ATOM 315 N TYR A 24 -6.080 4.908 -3.444 1.00 0.00 N ATOM 316 CA TYR A 24 -6.378 3.582 -2.854 1.00 0.00 C ATOM 317 C TYR A 24 -5.141 2.714 -2.776 1.00 0.00 C ATOM 318 O TYR A 24 -4.277 2.774 -3.611 1.00 0.00 O ATOM 319 CB TYR A 24 -7.407 2.942 -3.777 1.00 0.00 C ATOM 320 CG TYR A 24 -6.727 2.462 -5.032 1.00 0.00 C ATOM 321 CD1 TYR A 24 -6.039 1.247 -5.024 1.00 0.00 C ATOM 322 CD2 TYR A 24 -6.783 3.230 -6.193 1.00 0.00 C ATOM 323 CE1 TYR A 24 -5.403 0.796 -6.185 1.00 0.00 C ATOM 324 CE2 TYR A 24 -6.148 2.784 -7.358 1.00 0.00 C ATOM 325 CZ TYR A 24 -5.457 1.565 -7.355 1.00 0.00 C ATOM 326 OH TYR A 24 -4.830 1.123 -8.502 1.00 0.00 O ATOM 0 H TYR A 24 -5.209 4.977 -3.970 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.746 3.688 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -7.894 2.107 -3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.186 3.663 -4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.998 0.656 -4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.316 4.169 -6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.871 -0.144 -6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.191 3.379 -8.258 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.966 1.775 -9.221 1.00 0.00 H new ATOM 336 N ARG A 25 -5.068 1.889 -1.784 1.00 0.00 N ATOM 337 CA ARG A 25 -3.884 0.993 -1.661 1.00 0.00 C ATOM 338 C ARG A 25 -4.309 -0.454 -1.945 1.00 0.00 C ATOM 339 O ARG A 25 -5.145 -0.999 -1.255 1.00 0.00 O ATOM 340 CB ARG A 25 -3.405 1.129 -0.207 1.00 0.00 C ATOM 341 CG ARG A 25 -3.713 2.532 0.329 1.00 0.00 C ATOM 342 CD ARG A 25 -2.948 2.763 1.635 1.00 0.00 C ATOM 343 NE ARG A 25 -4.004 2.983 2.664 1.00 0.00 N ATOM 344 CZ ARG A 25 -3.671 3.161 3.914 1.00 0.00 C ATOM 345 NH1 ARG A 25 -2.475 3.584 4.218 1.00 0.00 N ATOM 346 NH2 ARG A 25 -4.536 2.916 4.861 1.00 0.00 N ATOM 0 H ARG A 25 -5.770 1.790 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.095 1.256 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.894 0.380 0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.333 0.939 -0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.430 3.284 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.784 2.640 0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.325 1.904 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.286 3.625 1.558 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.987 2.994 2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.799 3.776 3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.216 3.723 5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.472 2.586 4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.276 3.055 5.838 1.00 0.00 H new ATOM 360 N LYS A 26 -3.747 -1.096 -2.940 1.00 0.00 N ATOM 361 CA LYS A 26 -4.156 -2.501 -3.210 1.00 0.00 C ATOM 362 C LYS A 26 -3.008 -3.448 -2.898 1.00 0.00 C ATOM 363 O LYS A 26 -1.858 -3.060 -2.835 1.00 0.00 O ATOM 364 CB LYS A 26 -4.508 -2.579 -4.700 1.00 0.00 C ATOM 365 CG LYS A 26 -5.982 -2.959 -4.853 1.00 0.00 C ATOM 366 CD LYS A 26 -6.677 -1.982 -5.803 1.00 0.00 C ATOM 367 CE LYS A 26 -5.955 -1.978 -7.152 1.00 0.00 C ATOM 368 NZ LYS A 26 -6.685 -2.979 -7.980 1.00 0.00 N ATOM 0 H LYS A 26 -3.036 -0.714 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.005 -2.788 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.316 -1.620 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.877 -3.317 -5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.066 -3.975 -5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.473 -2.945 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.720 -2.269 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.676 -0.979 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.982 -0.990 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.905 -2.249 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.007 -3.658 -8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.372 -3.486 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.186 -2.493 -8.751 1.00 0.00 H new ATOM 382 N MET A 27 -3.319 -4.689 -2.712 1.00 0.00 N ATOM 383 CA MET A 27 -2.266 -5.686 -2.412 1.00 0.00 C ATOM 384 C MET A 27 -2.746 -7.052 -2.844 1.00 0.00 C ATOM 385 O MET A 27 -3.907 -7.387 -2.720 1.00 0.00 O ATOM 386 CB MET A 27 -2.062 -5.626 -0.898 1.00 0.00 C ATOM 387 CG MET A 27 -0.666 -5.085 -0.589 1.00 0.00 C ATOM 388 SD MET A 27 -0.708 -4.156 0.964 1.00 0.00 S ATOM 389 CE MET A 27 -1.545 -5.415 1.960 1.00 0.00 C ATOM 0 H MET A 27 -4.267 -5.062 -2.755 1.00 0.00 H new ATOM 0 HA MET A 27 -1.331 -5.486 -2.936 1.00 0.00 H new ATOM 0 HB2 MET A 27 -2.819 -4.987 -0.444 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.182 -6.619 -0.465 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.046 -5.907 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.326 -4.442 -1.401 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.296 -5.272 3.011 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.623 -5.326 1.827 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.221 -6.406 1.642 1.00 0.00 H new ATOM 399 N TRP A 28 -1.869 -7.833 -3.378 1.00 0.00 N ATOM 400 CA TRP A 28 -2.288 -9.164 -3.849 1.00 0.00 C ATOM 401 C TRP A 28 -1.119 -10.151 -3.792 1.00 0.00 C ATOM 402 O TRP A 28 -0.844 -10.750 -2.772 1.00 0.00 O ATOM 403 CB TRP A 28 -2.752 -8.937 -5.295 1.00 0.00 C ATOM 404 CG TRP A 28 -2.092 -7.746 -5.964 1.00 0.00 C ATOM 405 CD1 TRP A 28 -0.764 -7.602 -6.242 1.00 0.00 C ATOM 406 CD2 TRP A 28 -2.735 -6.548 -6.485 1.00 0.00 C ATOM 407 NE1 TRP A 28 -0.573 -6.409 -6.915 1.00 0.00 N ATOM 408 CE2 TRP A 28 -1.755 -5.722 -7.081 1.00 0.00 C ATOM 409 CE3 TRP A 28 -4.064 -6.107 -6.497 1.00 0.00 C ATOM 410 CZ2 TRP A 28 -2.088 -4.505 -7.674 1.00 0.00 C ATOM 411 CZ3 TRP A 28 -4.406 -4.880 -7.088 1.00 0.00 C ATOM 412 CH2 TRP A 28 -3.418 -4.082 -7.679 1.00 0.00 C ATOM 0 H TRP A 28 -0.883 -7.609 -3.509 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.076 -9.594 -3.231 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.544 -9.833 -5.880 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.833 -8.795 -5.303 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.012 -8.306 -5.979 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.333 -6.078 -7.248 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.834 -6.717 -6.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.322 -3.893 -8.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.434 -4.550 -7.087 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.685 -3.141 -8.138 1.00 0.00 H new ATOM 423 N CYS A 29 -0.438 -10.319 -4.880 1.00 0.00 N ATOM 424 CA CYS A 29 0.723 -11.250 -4.920 1.00 0.00 C ATOM 425 C CYS A 29 1.394 -11.144 -6.291 1.00 0.00 C ATOM 426 O CYS A 29 0.764 -11.327 -7.313 1.00 0.00 O ATOM 427 CB CYS A 29 0.126 -12.637 -4.708 1.00 0.00 C ATOM 428 SG CYS A 29 1.441 -13.876 -4.757 1.00 0.00 S ATOM 0 H CYS A 29 -0.636 -9.845 -5.761 1.00 0.00 H new ATOM 0 HA CYS A 29 1.479 -11.028 -4.167 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.391 -12.679 -3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.615 -12.847 -5.480 1.00 0.00 H new ATOM 433 N ASP A 30 2.660 -10.829 -6.329 1.00 0.00 N ATOM 434 CA ASP A 30 3.347 -10.692 -7.646 1.00 0.00 C ATOM 435 C ASP A 30 4.126 -11.967 -7.988 1.00 0.00 C ATOM 436 O ASP A 30 4.822 -12.521 -7.162 1.00 0.00 O ATOM 437 CB ASP A 30 4.305 -9.513 -7.475 1.00 0.00 C ATOM 438 CG ASP A 30 4.197 -8.587 -8.687 1.00 0.00 C ATOM 439 OD1 ASP A 30 3.118 -8.064 -8.914 1.00 0.00 O ATOM 440 OD2 ASP A 30 5.194 -8.417 -9.369 1.00 0.00 O ATOM 0 H ASP A 30 3.246 -10.661 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 30 2.638 -10.532 -8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.065 -8.966 -6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.328 -9.874 -7.370 1.00 0.00 H new ATOM 445 N ALA A 31 4.019 -12.429 -9.205 1.00 0.00 N ATOM 446 CA ALA A 31 4.759 -13.662 -9.608 1.00 0.00 C ATOM 447 C ALA A 31 4.405 -14.832 -8.682 1.00 0.00 C ATOM 448 O ALA A 31 3.423 -15.518 -8.887 1.00 0.00 O ATOM 449 CB ALA A 31 6.238 -13.296 -9.478 1.00 0.00 C ATOM 0 H ALA A 31 3.451 -12.006 -9.939 1.00 0.00 H new ATOM 0 HA ALA A 31 4.505 -13.981 -10.619 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.851 -14.153 -9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.465 -12.458 -10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.454 -13.016 -8.447 1.00 0.00 H new ATOM 455 N PHE A 32 5.195 -15.073 -7.670 1.00 0.00 N ATOM 456 CA PHE A 32 4.895 -16.205 -6.745 1.00 0.00 C ATOM 457 C PHE A 32 4.934 -15.730 -5.290 1.00 0.00 C ATOM 458 O PHE A 32 5.339 -16.455 -4.403 1.00 0.00 O ATOM 459 CB PHE A 32 6.001 -17.229 -7.000 1.00 0.00 C ATOM 460 CG PHE A 32 6.002 -17.621 -8.458 1.00 0.00 C ATOM 461 CD1 PHE A 32 4.799 -17.941 -9.098 1.00 0.00 C ATOM 462 CD2 PHE A 32 7.207 -17.665 -9.170 1.00 0.00 C ATOM 463 CE1 PHE A 32 4.800 -18.305 -10.450 1.00 0.00 C ATOM 464 CE2 PHE A 32 7.208 -18.030 -10.522 1.00 0.00 C ATOM 465 CZ PHE A 32 6.005 -18.349 -11.162 1.00 0.00 C ATOM 0 H PHE A 32 6.033 -14.537 -7.444 1.00 0.00 H new ATOM 0 HA PHE A 32 3.902 -16.622 -6.916 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.969 -16.810 -6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.846 -18.109 -6.376 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.870 -17.907 -8.549 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.135 -17.418 -8.677 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.872 -18.552 -10.944 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.137 -18.065 -11.071 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.006 -18.629 -12.205 1.00 0.00 H new ATOM 475 N CYS A 33 4.515 -14.522 -5.036 1.00 0.00 N ATOM 476 CA CYS A 33 4.530 -14.010 -3.636 1.00 0.00 C ATOM 477 C CYS A 33 5.937 -14.125 -3.045 1.00 0.00 C ATOM 478 O CYS A 33 6.410 -15.204 -2.751 1.00 0.00 O ATOM 479 CB CYS A 33 3.562 -14.915 -2.876 1.00 0.00 C ATOM 480 SG CYS A 33 1.929 -14.140 -2.816 1.00 0.00 S ATOM 0 H CYS A 33 4.163 -13.868 -5.735 1.00 0.00 H new ATOM 0 HA CYS A 33 4.244 -12.960 -3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.497 -15.887 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.930 -15.091 -1.865 1.00 0.00 H new ATOM 485 N SER A 34 6.607 -13.022 -2.865 1.00 0.00 N ATOM 486 CA SER A 34 7.981 -13.075 -2.288 1.00 0.00 C ATOM 487 C SER A 34 7.905 -13.321 -0.779 1.00 0.00 C ATOM 488 O SER A 34 6.836 -13.376 -0.204 1.00 0.00 O ATOM 489 CB SER A 34 8.588 -11.704 -2.578 1.00 0.00 C ATOM 490 OG SER A 34 9.993 -11.758 -2.367 1.00 0.00 O ATOM 0 H SER A 34 6.265 -12.088 -3.091 1.00 0.00 H new ATOM 0 HA SER A 34 8.579 -13.880 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.374 -11.409 -3.605 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.140 -10.951 -1.930 1.00 0.00 H new ATOM 0 HG SER A 34 10.386 -10.880 -2.554 1.00 0.00 H new ATOM 496 N SER A 35 9.029 -13.463 -0.131 1.00 0.00 N ATOM 497 CA SER A 35 9.009 -13.698 1.341 1.00 0.00 C ATOM 498 C SER A 35 8.542 -12.431 2.061 1.00 0.00 C ATOM 499 O SER A 35 8.305 -12.431 3.253 1.00 0.00 O ATOM 500 CB SER A 35 10.454 -14.027 1.712 1.00 0.00 C ATOM 501 OG SER A 35 10.464 -15.001 2.748 1.00 0.00 O ATOM 0 H SER A 35 9.956 -13.427 -0.555 1.00 0.00 H new ATOM 0 HA SER A 35 8.328 -14.500 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.989 -14.402 0.840 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.971 -13.125 2.040 1.00 0.00 H new ATOM 0 HG SER A 35 11.390 -15.215 2.987 1.00 0.00 H new ATOM 507 N ARG A 36 8.403 -11.352 1.340 1.00 0.00 N ATOM 508 CA ARG A 36 7.945 -10.083 1.972 1.00 0.00 C ATOM 509 C ARG A 36 6.416 -10.035 1.994 1.00 0.00 C ATOM 510 O ARG A 36 5.818 -9.206 2.650 1.00 0.00 O ATOM 511 CB ARG A 36 8.501 -8.975 1.077 1.00 0.00 C ATOM 512 CG ARG A 36 9.985 -9.231 0.807 1.00 0.00 C ATOM 513 CD ARG A 36 10.782 -9.019 2.097 1.00 0.00 C ATOM 514 NE ARG A 36 12.165 -9.466 1.774 1.00 0.00 N ATOM 515 CZ ARG A 36 12.784 -8.978 0.734 1.00 0.00 C ATOM 516 NH1 ARG A 36 12.473 -7.792 0.287 1.00 0.00 N ATOM 517 NH2 ARG A 36 13.713 -9.676 0.141 1.00 0.00 N ATOM 0 H ARG A 36 8.587 -11.295 0.338 1.00 0.00 H new ATOM 0 HA ARG A 36 8.285 -9.984 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.950 -8.942 0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.370 -8.005 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.129 -10.247 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.346 -8.558 0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.767 -7.973 2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.362 -9.598 2.920 1.00 0.00 H new ATOM 0 HE ARG A 36 12.629 -10.155 2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.746 -7.247 0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.957 -7.410 -0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.955 -10.603 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.197 -9.295 -0.672 1.00 0.00 H new ATOM 531 N GLY A 37 5.780 -10.919 1.274 1.00 0.00 N ATOM 532 CA GLY A 37 4.291 -10.928 1.245 1.00 0.00 C ATOM 533 C GLY A 37 3.812 -10.586 -0.166 1.00 0.00 C ATOM 534 O GLY A 37 4.345 -11.068 -1.145 1.00 0.00 O ATOM 0 H GLY A 37 6.229 -11.636 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.916 -11.907 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.897 -10.206 1.960 1.00 0.00 H new ATOM 538 N LYS A 38 2.824 -9.744 -0.281 1.00 0.00 N ATOM 539 CA LYS A 38 2.329 -9.357 -1.629 1.00 0.00 C ATOM 540 C LYS A 38 3.076 -8.111 -2.077 1.00 0.00 C ATOM 541 O LYS A 38 4.238 -7.923 -1.775 1.00 0.00 O ATOM 542 CB LYS A 38 0.845 -9.026 -1.451 1.00 0.00 C ATOM 543 CG LYS A 38 0.199 -9.968 -0.432 1.00 0.00 C ATOM 544 CD LYS A 38 0.137 -9.279 0.933 1.00 0.00 C ATOM 545 CE LYS A 38 0.604 -10.252 2.017 1.00 0.00 C ATOM 546 NZ LYS A 38 -0.597 -10.486 2.865 1.00 0.00 N ATOM 0 H LYS A 38 2.338 -9.307 0.502 1.00 0.00 H new ATOM 0 HA LYS A 38 2.476 -10.144 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.735 -7.993 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.331 -9.110 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.804 -10.242 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.774 -10.891 -0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.767 -8.389 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.881 -8.949 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.968 -11.183 1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.423 -9.831 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.357 -11.145 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.917 -9.583 3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.358 -10.894 2.285 1.00 0.00 H new ATOM 560 N VAL A 39 2.402 -7.237 -2.755 1.00 0.00 N ATOM 561 CA VAL A 39 3.043 -5.973 -3.182 1.00 0.00 C ATOM 562 C VAL A 39 2.313 -4.827 -2.491 1.00 0.00 C ATOM 563 O VAL A 39 1.759 -4.986 -1.423 1.00 0.00 O ATOM 564 CB VAL A 39 2.848 -5.887 -4.703 1.00 0.00 C ATOM 565 CG1 VAL A 39 3.973 -5.050 -5.314 1.00 0.00 C ATOM 566 CG2 VAL A 39 2.873 -7.286 -5.322 1.00 0.00 C ATOM 0 H VAL A 39 1.427 -7.344 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 39 4.102 -5.926 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 39 1.883 -5.423 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.836 -4.988 -6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.953 -4.047 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.933 -5.517 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.734 -7.209 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.832 -7.759 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.071 -7.887 -4.894 1.00 0.00 H new ATOM 576 N VAL A 40 2.274 -3.697 -3.112 1.00 0.00 N ATOM 577 CA VAL A 40 1.547 -2.537 -2.541 1.00 0.00 C ATOM 578 C VAL A 40 1.233 -1.632 -3.701 1.00 0.00 C ATOM 579 O VAL A 40 1.919 -0.669 -3.980 1.00 0.00 O ATOM 580 CB VAL A 40 2.490 -1.874 -1.554 1.00 0.00 C ATOM 581 CG1 VAL A 40 1.773 -0.687 -0.915 1.00 0.00 C ATOM 582 CG2 VAL A 40 2.866 -2.886 -0.477 1.00 0.00 C ATOM 0 H VAL A 40 2.723 -3.519 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 40 0.624 -2.799 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 40 3.391 -1.529 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.439 -0.200 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.487 0.025 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.881 -1.037 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.544 -2.421 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.966 -3.219 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.357 -3.743 -0.938 1.00 0.00 H new ATOM 592 N GLU A 41 0.232 -1.995 -4.421 1.00 0.00 N ATOM 593 CA GLU A 41 -0.125 -1.238 -5.634 1.00 0.00 C ATOM 594 C GLU A 41 -1.280 -0.279 -5.371 1.00 0.00 C ATOM 595 O GLU A 41 -2.413 -0.535 -5.728 1.00 0.00 O ATOM 596 CB GLU A 41 -0.520 -2.319 -6.629 1.00 0.00 C ATOM 597 CG GLU A 41 0.524 -3.442 -6.601 1.00 0.00 C ATOM 598 CD GLU A 41 1.918 -2.846 -6.805 1.00 0.00 C ATOM 599 OE1 GLU A 41 2.438 -2.268 -5.865 1.00 0.00 O ATOM 600 OE2 GLU A 41 2.442 -2.976 -7.899 1.00 0.00 O ATOM 0 H GLU A 41 -0.366 -2.797 -4.220 1.00 0.00 H new ATOM 0 HA GLU A 41 0.691 -0.612 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.504 -2.716 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.590 -1.898 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.479 -3.972 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.311 -4.171 -7.382 1.00 0.00 H new ATOM 607 N LEU A 42 -0.997 0.834 -4.759 1.00 0.00 N ATOM 608 CA LEU A 42 -2.075 1.822 -4.490 1.00 0.00 C ATOM 609 C LEU A 42 -2.319 2.640 -5.758 1.00 0.00 C ATOM 610 O LEU A 42 -1.884 2.276 -6.832 1.00 0.00 O ATOM 611 CB LEU A 42 -1.572 2.750 -3.366 1.00 0.00 C ATOM 612 CG LEU A 42 -0.494 2.073 -2.511 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.879 2.603 -2.922 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.736 2.406 -1.042 1.00 0.00 C ATOM 0 H LEU A 42 -0.068 1.102 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.003 1.330 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.170 3.664 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.410 3.041 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.534 0.994 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.650 2.125 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.054 2.381 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.914 3.681 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.028 1.927 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.689 3.486 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.720 2.043 -0.744 1.00 0.00 H new ATOM 626 N GLY A 43 -2.992 3.751 -5.647 1.00 0.00 N ATOM 627 CA GLY A 43 -3.227 4.585 -6.864 1.00 0.00 C ATOM 628 C GLY A 43 -4.500 5.428 -6.710 1.00 0.00 C ATOM 629 O GLY A 43 -4.718 6.058 -5.695 1.00 0.00 O ATOM 0 H GLY A 43 -3.386 4.116 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.371 5.238 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.315 3.942 -7.740 1.00 0.00 H new ATOM 633 N CYS A 44 -5.324 5.478 -7.727 1.00 0.00 N ATOM 634 CA CYS A 44 -6.561 6.315 -7.655 1.00 0.00 C ATOM 635 C CYS A 44 -7.807 5.489 -7.983 1.00 0.00 C ATOM 636 O CYS A 44 -7.788 4.626 -8.839 1.00 0.00 O ATOM 637 CB CYS A 44 -6.394 7.426 -8.710 1.00 0.00 C ATOM 638 SG CYS A 44 -4.835 7.265 -9.637 1.00 0.00 S ATOM 0 H CYS A 44 -5.193 4.975 -8.605 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.690 6.717 -6.650 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.233 7.394 -9.405 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.424 8.399 -8.219 1.00 0.00 H new ATOM 643 N ALA A 45 -8.896 5.762 -7.312 1.00 0.00 N ATOM 644 CA ALA A 45 -10.149 5.018 -7.580 1.00 0.00 C ATOM 645 C ALA A 45 -11.347 5.950 -7.393 1.00 0.00 C ATOM 646 O ALA A 45 -11.243 6.967 -6.733 1.00 0.00 O ATOM 647 CB ALA A 45 -10.177 3.889 -6.549 1.00 0.00 C ATOM 0 H ALA A 45 -8.965 6.475 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.195 4.629 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.079 3.293 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.300 3.255 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.171 4.313 -5.545 1.00 0.00 H new ATOM 653 N ALA A 46 -12.474 5.613 -7.971 1.00 0.00 N ATOM 654 CA ALA A 46 -13.689 6.475 -7.832 1.00 0.00 C ATOM 655 C ALA A 46 -14.316 6.255 -6.456 1.00 0.00 C ATOM 656 O ALA A 46 -14.997 7.110 -5.926 1.00 0.00 O ATOM 657 CB ALA A 46 -14.639 6.003 -8.933 1.00 0.00 C ATOM 0 H ALA A 46 -12.605 4.774 -8.536 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.462 7.537 -7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.557 6.589 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.163 6.134 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.875 4.949 -8.783 1.00 0.00 H new ATOM 663 N THR A 47 -14.073 5.117 -5.866 1.00 0.00 N ATOM 664 CA THR A 47 -14.632 4.838 -4.513 1.00 0.00 C ATOM 665 C THR A 47 -14.027 3.546 -3.959 1.00 0.00 C ATOM 666 O THR A 47 -13.791 2.604 -4.688 1.00 0.00 O ATOM 667 CB THR A 47 -16.140 4.685 -4.723 1.00 0.00 C ATOM 668 OG1 THR A 47 -16.791 4.648 -3.461 1.00 0.00 O ATOM 669 CG2 THR A 47 -16.422 3.388 -5.483 1.00 0.00 C ATOM 0 H THR A 47 -13.509 4.366 -6.264 1.00 0.00 H new ATOM 0 HA THR A 47 -14.407 5.630 -3.798 1.00 0.00 H new ATOM 0 HB THR A 47 -16.514 5.530 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.757 4.552 -3.594 1.00 0.00 H new ATOM 0 HG21 THR A 47 -17.496 3.280 -5.632 1.00 0.00 H new ATOM 0 HG22 THR A 47 -15.922 3.418 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.048 2.541 -4.908 1.00 0.00 H new ATOM 677 N CYS A 48 -13.773 3.496 -2.678 1.00 0.00 N ATOM 678 CA CYS A 48 -13.182 2.262 -2.082 1.00 0.00 C ATOM 679 C CYS A 48 -13.832 1.018 -2.692 1.00 0.00 C ATOM 680 O CYS A 48 -14.926 0.643 -2.320 1.00 0.00 O ATOM 681 CB CYS A 48 -13.496 2.353 -0.589 1.00 0.00 C ATOM 682 SG CYS A 48 -12.674 3.804 0.114 1.00 0.00 S ATOM 0 H CYS A 48 -13.949 4.255 -2.020 1.00 0.00 H new ATOM 0 HA CYS A 48 -12.111 2.185 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.573 2.423 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.160 1.449 -0.080 1.00 0.00 H new ATOM 687 N PRO A 49 -13.133 0.424 -3.620 1.00 0.00 N ATOM 688 CA PRO A 49 -13.646 -0.787 -4.301 1.00 0.00 C ATOM 689 C PRO A 49 -13.526 -2.010 -3.387 1.00 0.00 C ATOM 690 O PRO A 49 -12.630 -2.102 -2.572 1.00 0.00 O ATOM 691 CB PRO A 49 -12.735 -0.926 -5.517 1.00 0.00 C ATOM 692 CG PRO A 49 -11.464 -0.231 -5.138 1.00 0.00 C ATOM 693 CD PRO A 49 -11.810 0.822 -4.115 1.00 0.00 C ATOM 0 HA PRO A 49 -14.700 -0.713 -4.569 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.554 -1.974 -5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.184 -0.471 -6.400 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.746 -0.942 -4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.000 0.223 -6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.076 0.851 -3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.834 1.817 -4.560 1.00 0.00 H new ATOM 701 N SER A 50 -14.420 -2.951 -3.519 1.00 0.00 N ATOM 702 CA SER A 50 -14.355 -4.168 -2.661 1.00 0.00 C ATOM 703 C SER A 50 -13.606 -5.284 -3.394 1.00 0.00 C ATOM 704 O SER A 50 -12.826 -5.033 -4.291 1.00 0.00 O ATOM 705 CB SER A 50 -15.812 -4.563 -2.421 1.00 0.00 C ATOM 706 OG SER A 50 -16.639 -3.417 -2.570 1.00 0.00 O ATOM 0 H SER A 50 -15.193 -2.930 -4.184 1.00 0.00 H new ATOM 0 HA SER A 50 -13.826 -3.990 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.112 -5.337 -3.127 1.00 0.00 H new ATOM 0 HB3 SER A 50 -15.928 -4.982 -1.421 1.00 0.00 H new ATOM 0 HG SER A 50 -17.574 -3.667 -2.419 1.00 0.00 H new ATOM 712 N LYS A 51 -13.834 -6.513 -3.022 1.00 0.00 N ATOM 713 CA LYS A 51 -13.131 -7.637 -3.705 1.00 0.00 C ATOM 714 C LYS A 51 -14.040 -8.861 -3.796 1.00 0.00 C ATOM 715 O LYS A 51 -15.244 -8.767 -3.658 1.00 0.00 O ATOM 716 CB LYS A 51 -11.914 -7.938 -2.834 1.00 0.00 C ATOM 717 CG LYS A 51 -10.714 -8.234 -3.735 1.00 0.00 C ATOM 718 CD LYS A 51 -10.317 -6.964 -4.491 1.00 0.00 C ATOM 719 CE LYS A 51 -10.129 -7.289 -5.974 1.00 0.00 C ATOM 720 NZ LYS A 51 -9.477 -6.081 -6.553 1.00 0.00 N ATOM 0 H LYS A 51 -14.474 -6.788 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.847 -7.379 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.697 -7.089 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.117 -8.791 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.876 -8.591 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.962 -9.027 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.086 -6.201 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.395 -6.556 -4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.509 -8.175 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.084 -7.492 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.315 -6.228 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.093 -5.255 -6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.567 -5.916 -6.078 1.00 0.00 H new ATOM 734 N LYS A 52 -13.471 -10.007 -4.035 1.00 0.00 N ATOM 735 CA LYS A 52 -14.302 -11.239 -4.146 1.00 0.00 C ATOM 736 C LYS A 52 -13.504 -12.489 -3.751 1.00 0.00 C ATOM 737 O LYS A 52 -13.827 -13.139 -2.776 1.00 0.00 O ATOM 738 CB LYS A 52 -14.714 -11.306 -5.617 1.00 0.00 C ATOM 739 CG LYS A 52 -16.098 -10.678 -5.790 1.00 0.00 C ATOM 740 CD LYS A 52 -17.069 -11.725 -6.340 1.00 0.00 C ATOM 741 CE LYS A 52 -17.995 -11.072 -7.368 1.00 0.00 C ATOM 742 NZ LYS A 52 -17.507 -11.561 -8.688 1.00 0.00 N ATOM 0 H LYS A 52 -12.468 -10.146 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.161 -11.205 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.985 -10.780 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.729 -12.342 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.459 -10.299 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.041 -9.827 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.516 -12.543 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.655 -12.155 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.034 -11.356 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.948 -9.985 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.093 -11.156 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.518 -11.270 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.570 -12.599 -8.719 1.00 0.00 H new ATOM 756 N PRO A 53 -12.496 -12.803 -4.528 1.00 0.00 N ATOM 757 CA PRO A 53 -11.676 -14.008 -4.246 1.00 0.00 C ATOM 758 C PRO A 53 -10.796 -13.817 -3.006 1.00 0.00 C ATOM 759 O PRO A 53 -11.178 -14.158 -1.904 1.00 0.00 O ATOM 760 CB PRO A 53 -10.817 -14.160 -5.499 1.00 0.00 C ATOM 761 CG PRO A 53 -10.744 -12.788 -6.085 1.00 0.00 C ATOM 762 CD PRO A 53 -12.026 -12.087 -5.723 1.00 0.00 C ATOM 0 HA PRO A 53 -12.288 -14.885 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.824 -14.538 -5.254 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.263 -14.866 -6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.884 -12.246 -5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.623 -12.837 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.858 -11.030 -5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.753 -12.141 -6.533 1.00 0.00 H new ATOM 770 N TYR A 54 -9.612 -13.303 -3.184 1.00 0.00 N ATOM 771 CA TYR A 54 -8.689 -13.123 -2.019 1.00 0.00 C ATOM 772 C TYR A 54 -7.915 -11.805 -2.129 1.00 0.00 C ATOM 773 O TYR A 54 -7.015 -11.542 -1.357 1.00 0.00 O ATOM 774 CB TYR A 54 -7.716 -14.315 -2.080 1.00 0.00 C ATOM 775 CG TYR A 54 -7.572 -14.797 -3.509 1.00 0.00 C ATOM 776 CD1 TYR A 54 -7.212 -13.894 -4.517 1.00 0.00 C ATOM 777 CD2 TYR A 54 -7.820 -16.137 -3.827 1.00 0.00 C ATOM 778 CE1 TYR A 54 -7.098 -14.331 -5.841 1.00 0.00 C ATOM 779 CE2 TYR A 54 -7.707 -16.574 -5.152 1.00 0.00 C ATOM 780 CZ TYR A 54 -7.346 -15.671 -6.159 1.00 0.00 C ATOM 781 OH TYR A 54 -7.235 -16.102 -7.465 1.00 0.00 O ATOM 0 H TYR A 54 -9.239 -12.999 -4.083 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.239 -13.087 -1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.743 -14.020 -1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.082 -15.126 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.022 -12.859 -4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.099 -16.834 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.819 -13.634 -6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.898 -17.608 -5.398 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.440 -17.059 -7.512 1.00 0.00 H new ATOM 791 N GLU A 55 -8.247 -10.976 -3.080 1.00 0.00 N ATOM 792 CA GLU A 55 -7.512 -9.686 -3.223 1.00 0.00 C ATOM 793 C GLU A 55 -7.844 -8.751 -2.056 1.00 0.00 C ATOM 794 O GLU A 55 -8.698 -9.038 -1.241 1.00 0.00 O ATOM 795 CB GLU A 55 -8.001 -9.095 -4.546 1.00 0.00 C ATOM 796 CG GLU A 55 -6.903 -9.237 -5.602 1.00 0.00 C ATOM 797 CD GLU A 55 -7.148 -10.501 -6.427 1.00 0.00 C ATOM 798 OE1 GLU A 55 -8.262 -10.673 -6.895 1.00 0.00 O ATOM 799 OE2 GLU A 55 -6.219 -11.277 -6.576 1.00 0.00 O ATOM 0 H GLU A 55 -8.990 -11.134 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.431 -9.825 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.905 -9.608 -4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.260 -8.045 -4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.894 -8.362 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.926 -9.287 -5.121 1.00 0.00 H new ATOM 806 N GLU A 56 -7.176 -7.634 -1.972 1.00 0.00 N ATOM 807 CA GLU A 56 -7.453 -6.680 -0.859 1.00 0.00 C ATOM 808 C GLU A 56 -7.196 -5.246 -1.325 1.00 0.00 C ATOM 809 O GLU A 56 -6.125 -4.920 -1.798 1.00 0.00 O ATOM 810 CB GLU A 56 -6.475 -7.068 0.250 1.00 0.00 C ATOM 811 CG GLU A 56 -6.746 -6.216 1.492 1.00 0.00 C ATOM 812 CD GLU A 56 -6.822 -7.118 2.725 1.00 0.00 C ATOM 813 OE1 GLU A 56 -6.427 -8.267 2.620 1.00 0.00 O ATOM 814 OE2 GLU A 56 -7.274 -6.643 3.754 1.00 0.00 O ATOM 0 H GLU A 56 -6.450 -7.340 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.488 -6.726 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.583 -8.126 0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.449 -6.921 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.955 -5.476 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.680 -5.667 1.372 1.00 0.00 H new ATOM 821 N VAL A 57 -8.169 -4.385 -1.201 1.00 0.00 N ATOM 822 CA VAL A 57 -7.971 -2.976 -1.643 1.00 0.00 C ATOM 823 C VAL A 57 -8.098 -2.019 -0.455 1.00 0.00 C ATOM 824 O VAL A 57 -8.644 -2.360 0.575 1.00 0.00 O ATOM 825 CB VAL A 57 -9.082 -2.718 -2.660 1.00 0.00 C ATOM 826 CG1 VAL A 57 -8.803 -1.408 -3.399 1.00 0.00 C ATOM 827 CG2 VAL A 57 -9.128 -3.871 -3.666 1.00 0.00 C ATOM 0 H VAL A 57 -9.089 -4.595 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.981 -2.817 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.039 -2.647 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.595 -1.224 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.768 -0.587 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.846 -1.479 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.920 -3.689 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.171 -3.941 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.326 -4.805 -3.140 1.00 0.00 H new ATOM 837 N THR A 58 -7.598 -0.822 -0.595 1.00 0.00 N ATOM 838 CA THR A 58 -7.688 0.163 0.520 1.00 0.00 C ATOM 839 C THR A 58 -7.967 1.557 -0.042 1.00 0.00 C ATOM 840 O THR A 58 -8.116 1.732 -1.234 1.00 0.00 O ATOM 841 CB THR A 58 -6.318 0.120 1.199 1.00 0.00 C ATOM 842 OG1 THR A 58 -5.736 -1.162 1.005 1.00 0.00 O ATOM 843 CG2 THR A 58 -6.480 0.388 2.696 1.00 0.00 C ATOM 0 H THR A 58 -7.130 -0.483 -1.435 1.00 0.00 H new ATOM 0 HA THR A 58 -8.492 -0.069 1.218 1.00 0.00 H new ATOM 0 HB THR A 58 -5.672 0.883 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.306 -1.196 0.125 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.503 0.357 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.927 1.371 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.126 -0.373 3.134 1.00 0.00 H new ATOM 851 N CYS A 59 -8.030 2.553 0.797 1.00 0.00 N ATOM 852 CA CYS A 59 -8.292 3.927 0.285 1.00 0.00 C ATOM 853 C CYS A 59 -7.408 4.949 0.971 1.00 0.00 C ATOM 854 O CYS A 59 -6.680 4.657 1.898 1.00 0.00 O ATOM 855 CB CYS A 59 -9.730 4.248 0.648 1.00 0.00 C ATOM 856 SG CYS A 59 -10.829 3.774 -0.709 1.00 0.00 S ATOM 0 H CYS A 59 -7.912 2.477 1.807 1.00 0.00 H new ATOM 0 HA CYS A 59 -8.097 3.965 -0.787 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.012 3.718 1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.833 5.313 0.855 1.00 0.00 H new ATOM 861 N CYS A 60 -7.517 6.163 0.536 1.00 0.00 N ATOM 862 CA CYS A 60 -6.740 7.258 1.168 1.00 0.00 C ATOM 863 C CYS A 60 -7.231 8.608 0.623 1.00 0.00 C ATOM 864 O CYS A 60 -7.384 8.782 -0.565 1.00 0.00 O ATOM 865 CB CYS A 60 -5.262 6.947 0.836 1.00 0.00 C ATOM 866 SG CYS A 60 -4.460 8.297 -0.081 1.00 0.00 S ATOM 0 H CYS A 60 -8.116 6.450 -0.238 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.862 7.324 2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.715 6.764 1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.209 6.030 0.248 1.00 0.00 H new ATOM 871 N SER A 61 -7.504 9.556 1.481 1.00 0.00 N ATOM 872 CA SER A 61 -8.012 10.872 0.987 1.00 0.00 C ATOM 873 C SER A 61 -7.113 12.037 1.418 1.00 0.00 C ATOM 874 O SER A 61 -7.215 13.126 0.890 1.00 0.00 O ATOM 875 CB SER A 61 -9.390 11.014 1.609 1.00 0.00 C ATOM 876 OG SER A 61 -10.366 11.082 0.578 1.00 0.00 O ATOM 0 H SER A 61 -7.399 9.479 2.493 1.00 0.00 H new ATOM 0 HA SER A 61 -8.032 10.901 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.595 10.167 2.264 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.433 11.912 2.226 1.00 0.00 H new ATOM 0 HG SER A 61 -11.257 11.172 0.976 1.00 0.00 H new ATOM 882 N THR A 62 -6.237 11.835 2.363 1.00 0.00 N ATOM 883 CA THR A 62 -5.355 12.959 2.794 1.00 0.00 C ATOM 884 C THR A 62 -4.297 13.235 1.720 1.00 0.00 C ATOM 885 O THR A 62 -4.248 12.577 0.701 1.00 0.00 O ATOM 886 CB THR A 62 -4.698 12.485 4.092 1.00 0.00 C ATOM 887 OG1 THR A 62 -5.502 11.479 4.691 1.00 0.00 O ATOM 888 CG2 THR A 62 -4.558 13.666 5.054 1.00 0.00 C ATOM 0 H THR A 62 -6.093 10.951 2.852 1.00 0.00 H new ATOM 0 HA THR A 62 -5.910 13.885 2.942 1.00 0.00 H new ATOM 0 HB THR A 62 -3.712 12.077 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.111 10.598 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.090 13.329 5.979 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.940 14.438 4.595 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.544 14.075 5.275 1.00 0.00 H new ATOM 896 N ASP A 63 -3.450 14.204 1.939 1.00 0.00 N ATOM 897 CA ASP A 63 -2.399 14.513 0.927 1.00 0.00 C ATOM 898 C ASP A 63 -1.408 13.351 0.835 1.00 0.00 C ATOM 899 O ASP A 63 -0.806 12.961 1.815 1.00 0.00 O ATOM 900 CB ASP A 63 -1.703 15.770 1.450 1.00 0.00 C ATOM 901 CG ASP A 63 -2.754 16.789 1.894 1.00 0.00 C ATOM 902 OD1 ASP A 63 -3.922 16.565 1.620 1.00 0.00 O ATOM 903 OD2 ASP A 63 -2.373 17.777 2.500 1.00 0.00 O ATOM 0 H ASP A 63 -3.440 14.793 2.772 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.812 14.663 -0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.051 15.516 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.071 16.199 0.672 1.00 0.00 H new ATOM 908 N LYS A 64 -1.237 12.788 -0.331 1.00 0.00 N ATOM 909 CA LYS A 64 -0.288 11.648 -0.464 1.00 0.00 C ATOM 910 C LYS A 64 -0.524 10.651 0.672 1.00 0.00 C ATOM 911 O LYS A 64 0.386 10.273 1.382 1.00 0.00 O ATOM 912 CB LYS A 64 1.102 12.276 -0.350 1.00 0.00 C ATOM 913 CG LYS A 64 1.243 13.394 -1.385 1.00 0.00 C ATOM 914 CD LYS A 64 1.492 14.724 -0.672 1.00 0.00 C ATOM 915 CE LYS A 64 2.899 15.226 -1.003 1.00 0.00 C ATOM 916 NZ LYS A 64 3.240 16.169 0.099 1.00 0.00 N ATOM 0 H LYS A 64 -1.710 13.066 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.409 11.106 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.252 12.674 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.869 11.519 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.067 13.174 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.339 13.458 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.750 15.459 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.384 14.597 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.611 14.402 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.922 15.725 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.193 16.556 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.549 16.946 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.216 15.664 1.008 1.00 0.00 H new ATOM 930 N CYS A 65 -1.744 10.221 0.844 1.00 0.00 N ATOM 931 CA CYS A 65 -2.040 9.244 1.934 1.00 0.00 C ATOM 932 C CYS A 65 -1.941 7.812 1.406 1.00 0.00 C ATOM 933 O CYS A 65 -2.612 6.914 1.877 1.00 0.00 O ATOM 934 CB CYS A 65 -3.451 9.553 2.468 1.00 0.00 C ATOM 935 SG CYS A 65 -4.607 9.900 1.123 1.00 0.00 S ATOM 0 H CYS A 65 -2.547 10.501 0.280 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.315 9.334 2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.814 8.707 3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.407 10.409 3.141 1.00 0.00 H new ATOM 940 N ASN A 66 -1.079 7.588 0.449 1.00 0.00 N ATOM 941 CA ASN A 66 -0.896 6.213 -0.094 1.00 0.00 C ATOM 942 C ASN A 66 0.512 5.675 0.256 1.00 0.00 C ATOM 943 O ASN A 66 1.098 4.961 -0.534 1.00 0.00 O ATOM 944 CB ASN A 66 -1.031 6.372 -1.613 1.00 0.00 C ATOM 945 CG ASN A 66 -2.329 5.724 -2.090 1.00 0.00 C ATOM 946 OD1 ASN A 66 -2.403 5.216 -3.191 1.00 0.00 O ATOM 947 ND2 ASN A 66 -3.363 5.724 -1.303 1.00 0.00 N ATOM 0 H ASN A 66 -0.492 8.303 0.019 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.619 5.510 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.023 7.429 -1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.179 5.911 -2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.237 5.297 -1.610 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.300 6.151 -0.379 1.00 0.00 H new ATOM 954 N PRO A 67 1.033 6.046 1.414 1.00 0.00 N ATOM 955 CA PRO A 67 2.392 5.593 1.807 1.00 0.00 C ATOM 956 C PRO A 67 2.392 4.139 2.279 1.00 0.00 C ATOM 957 O PRO A 67 1.628 3.750 3.141 1.00 0.00 O ATOM 958 CB PRO A 67 2.756 6.504 2.973 1.00 0.00 C ATOM 959 CG PRO A 67 1.448 6.924 3.558 1.00 0.00 C ATOM 960 CD PRO A 67 0.434 6.903 2.447 1.00 0.00 C ATOM 0 HA PRO A 67 3.090 5.643 0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.367 5.980 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.332 7.365 2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.152 6.249 4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.523 7.922 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.521 6.503 2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.242 7.906 2.067 1.00 0.00 H new ATOM 968 N HIS A 68 3.272 3.348 1.741 1.00 0.00 N ATOM 969 CA HIS A 68 3.371 1.923 2.173 1.00 0.00 C ATOM 970 C HIS A 68 4.798 1.658 2.662 1.00 0.00 C ATOM 971 O HIS A 68 5.665 2.486 2.471 1.00 0.00 O ATOM 972 CB HIS A 68 3.060 1.102 0.918 1.00 0.00 C ATOM 973 CG HIS A 68 4.201 1.187 -0.052 1.00 0.00 C ATOM 974 ND1 HIS A 68 5.232 0.260 -0.067 1.00 0.00 N ATOM 975 CD2 HIS A 68 4.476 2.073 -1.060 1.00 0.00 C ATOM 976 CE1 HIS A 68 6.074 0.610 -1.057 1.00 0.00 C ATOM 977 NE2 HIS A 68 5.659 1.709 -1.695 1.00 0.00 N ATOM 0 H HIS A 68 3.933 3.625 1.015 1.00 0.00 H new ATOM 0 HA HIS A 68 2.690 1.670 2.985 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.881 0.062 1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.147 1.471 0.450 1.00 0.00 H new ATOM 0 HD1 HIS A 68 5.334 -0.540 0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.867 2.925 -1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.975 0.069 -1.306 1.00 0.00 H new ATOM 985 N PRO A 69 5.014 0.519 3.269 1.00 0.00 N ATOM 986 CA PRO A 69 6.373 0.185 3.762 1.00 0.00 C ATOM 987 C PRO A 69 7.321 0.098 2.573 1.00 0.00 C ATOM 988 O PRO A 69 7.519 -0.946 1.983 1.00 0.00 O ATOM 989 CB PRO A 69 6.185 -1.161 4.461 1.00 0.00 C ATOM 990 CG PRO A 69 4.955 -1.733 3.836 1.00 0.00 C ATOM 991 CD PRO A 69 4.057 -0.559 3.546 1.00 0.00 C ATOM 0 HA PRO A 69 6.804 0.922 4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.047 -1.811 4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.063 -1.037 5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.197 -2.275 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.469 -2.441 4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.404 -0.749 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.414 -0.322 4.394 1.00 0.00 H new ATOM 999 N LYS A 70 7.881 1.213 2.206 1.00 0.00 N ATOM 1000 CA LYS A 70 8.795 1.255 1.040 1.00 0.00 C ATOM 1001 C LYS A 70 10.228 0.911 1.449 1.00 0.00 C ATOM 1002 O LYS A 70 10.648 -0.227 1.386 1.00 0.00 O ATOM 1003 CB LYS A 70 8.710 2.704 0.559 1.00 0.00 C ATOM 1004 CG LYS A 70 7.279 3.016 0.119 1.00 0.00 C ATOM 1005 CD LYS A 70 6.857 4.373 0.682 1.00 0.00 C ATOM 1006 CE LYS A 70 7.651 5.482 -0.013 1.00 0.00 C ATOM 1007 NZ LYS A 70 8.665 5.921 0.988 1.00 0.00 N ATOM 0 H LYS A 70 7.741 2.109 2.673 1.00 0.00 H new ATOM 0 HA LYS A 70 8.520 0.533 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.011 3.381 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.399 2.863 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.216 3.026 -0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.601 2.238 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.789 4.526 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.033 4.404 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.128 5.115 -0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.002 6.308 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.986 6.883 0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.241 5.916 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.477 5.271 0.968 1.00 0.00 H new ATOM 1021 N GLN A 71 10.984 1.892 1.849 1.00 0.00 N ATOM 1022 CA GLN A 71 12.395 1.634 2.240 1.00 0.00 C ATOM 1023 C GLN A 71 12.448 0.847 3.552 1.00 0.00 C ATOM 1024 O GLN A 71 12.578 1.410 4.620 1.00 0.00 O ATOM 1025 CB GLN A 71 13.011 3.022 2.414 1.00 0.00 C ATOM 1026 CG GLN A 71 13.520 3.526 1.062 1.00 0.00 C ATOM 1027 CD GLN A 71 12.716 4.757 0.640 1.00 0.00 C ATOM 1028 OE1 GLN A 71 13.081 5.873 0.955 1.00 0.00 O ATOM 1029 NE2 GLN A 71 11.630 4.601 -0.065 1.00 0.00 N ATOM 0 H GLN A 71 10.685 2.864 1.922 1.00 0.00 H new ATOM 0 HA GLN A 71 12.930 1.040 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.270 3.713 2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.831 2.981 3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.579 3.776 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.426 2.742 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.324 3.665 -0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.087 5.415 -0.352 1.00 0.00 H new ATOM 1104 N ARG B 2 11.185 -3.074 -5.584 1.00 0.00 N ATOM 1105 CA ARG B 2 9.780 -2.693 -5.920 1.00 0.00 C ATOM 1106 C ARG B 2 9.169 -1.893 -4.788 1.00 0.00 C ATOM 1107 O ARG B 2 9.763 -1.716 -3.744 1.00 0.00 O ATOM 1108 CB ARG B 2 9.011 -4.016 -6.041 1.00 0.00 C ATOM 1109 CG ARG B 2 8.322 -4.084 -7.407 1.00 0.00 C ATOM 1110 CD ARG B 2 6.805 -3.998 -7.222 1.00 0.00 C ATOM 1111 NE ARG B 2 6.282 -3.547 -8.542 1.00 0.00 N ATOM 1112 CZ ARG B 2 5.862 -4.424 -9.412 1.00 0.00 C ATOM 1113 NH1 ARG B 2 6.721 -5.153 -10.071 1.00 0.00 N ATOM 1114 NH2 ARG B 2 4.583 -4.572 -9.623 1.00 0.00 N ATOM 0 HA ARG B 2 9.743 -2.094 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG B 2 9.694 -4.858 -5.924 1.00 0.00 H new ATOM 0 HB3 ARG B 2 8.271 -4.093 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG B 2 8.668 -3.268 -8.041 1.00 0.00 H new ATOM 0 HG3 ARG B 2 8.585 -5.013 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG B 2 6.386 -4.964 -6.940 1.00 0.00 H new ATOM 0 HD3 ARG B 2 6.543 -3.294 -6.432 1.00 0.00 H new ATOM 0 HE ARG B 2 6.252 -2.552 -8.766 1.00 0.00 H new ATOM 0 HH11 ARG B 2 7.721 -5.037 -9.906 1.00 0.00 H new ATOM 0 HH12 ARG B 2 6.392 -5.839 -10.751 1.00 0.00 H new ATOM 0 HH21 ARG B 2 3.912 -4.002 -9.108 1.00 0.00 H new ATOM 0 HH22 ARG B 2 4.254 -5.257 -10.303 1.00 0.00 H new ATOM 1128 N TYR B 3 7.947 -1.484 -4.951 1.00 0.00 N ATOM 1129 CA TYR B 3 7.265 -0.783 -3.842 1.00 0.00 C ATOM 1130 C TYR B 3 6.440 -1.849 -3.152 1.00 0.00 C ATOM 1131 O TYR B 3 5.290 -1.660 -2.819 1.00 0.00 O ATOM 1132 CB TYR B 3 6.345 0.294 -4.439 1.00 0.00 C ATOM 1133 CG TYR B 3 6.686 0.584 -5.880 1.00 0.00 C ATOM 1134 CD1 TYR B 3 7.645 1.552 -6.189 1.00 0.00 C ATOM 1135 CD2 TYR B 3 6.020 -0.099 -6.902 1.00 0.00 C ATOM 1136 CE1 TYR B 3 7.941 1.840 -7.525 1.00 0.00 C ATOM 1137 CE2 TYR B 3 6.316 0.185 -8.240 1.00 0.00 C ATOM 1138 CZ TYR B 3 7.276 1.157 -8.552 1.00 0.00 C ATOM 1139 OH TYR B 3 7.568 1.441 -9.871 1.00 0.00 O ATOM 0 H TYR B 3 7.395 -1.605 -5.800 1.00 0.00 H new ATOM 0 HA TYR B 3 7.956 -0.300 -3.151 1.00 0.00 H new ATOM 0 HB2 TYR B 3 5.308 -0.034 -4.370 1.00 0.00 H new ATOM 0 HB3 TYR B 3 6.429 1.210 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR B 3 8.157 2.077 -5.397 1.00 0.00 H new ATOM 0 HD2 TYR B 3 5.278 -0.845 -6.659 1.00 0.00 H new ATOM 0 HE1 TYR B 3 8.682 2.588 -7.765 1.00 0.00 H new ATOM 0 HE2 TYR B 3 5.805 -0.344 -9.031 1.00 0.00 H new ATOM 0 HH TYR B 3 7.019 0.878 -10.456 1.00 0.00 H new ATOM 1149 N TYR B 4 7.038 -2.993 -2.970 1.00 0.00 N ATOM 1150 CA TYR B 4 6.326 -4.124 -2.340 1.00 0.00 C ATOM 1151 C TYR B 4 5.986 -3.799 -0.896 1.00 0.00 C ATOM 1152 O TYR B 4 5.959 -2.657 -0.482 1.00 0.00 O ATOM 1153 CB TYR B 4 7.338 -5.271 -2.374 1.00 0.00 C ATOM 1154 CG TYR B 4 6.779 -6.462 -3.112 1.00 0.00 C ATOM 1155 CD1 TYR B 4 6.315 -6.335 -4.426 1.00 0.00 C ATOM 1156 CD2 TYR B 4 6.738 -7.705 -2.472 1.00 0.00 C ATOM 1157 CE1 TYR B 4 5.809 -7.456 -5.099 1.00 0.00 C ATOM 1158 CE2 TYR B 4 6.233 -8.823 -3.141 1.00 0.00 C ATOM 1159 CZ TYR B 4 5.768 -8.700 -4.454 1.00 0.00 C ATOM 1160 OH TYR B 4 5.273 -9.806 -5.114 1.00 0.00 O ATOM 0 H TYR B 4 8.003 -3.189 -3.237 1.00 0.00 H new ATOM 0 HA TYR B 4 5.392 -4.358 -2.850 1.00 0.00 H new ATOM 0 HB2 TYR B 4 8.256 -4.937 -2.858 1.00 0.00 H new ATOM 0 HB3 TYR B 4 7.601 -5.560 -1.356 1.00 0.00 H new ATOM 0 HD1 TYR B 4 6.347 -5.375 -4.921 1.00 0.00 H new ATOM 0 HD2 TYR B 4 7.098 -7.801 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR B 4 5.451 -7.361 -6.114 1.00 0.00 H new ATOM 0 HE2 TYR B 4 6.202 -9.781 -2.644 1.00 0.00 H new ATOM 0 HH TYR B 4 5.318 -10.587 -4.523 1.00 0.00 H new ATOM 1170 N GLU B 5 5.723 -4.808 -0.137 1.00 0.00 N ATOM 1171 CA GLU B 5 5.374 -4.595 1.298 1.00 0.00 C ATOM 1172 C GLU B 5 6.620 -4.743 2.176 1.00 0.00 C ATOM 1173 O GLU B 5 6.567 -5.290 3.260 1.00 0.00 O ATOM 1174 CB GLU B 5 4.349 -5.681 1.621 1.00 0.00 C ATOM 1175 CG GLU B 5 4.009 -5.638 3.113 1.00 0.00 C ATOM 1176 CD GLU B 5 2.489 -5.594 3.290 1.00 0.00 C ATOM 1177 OE1 GLU B 5 1.808 -5.277 2.328 1.00 0.00 O ATOM 1178 OE2 GLU B 5 2.031 -5.876 4.385 1.00 0.00 O ATOM 0 H GLU B 5 5.732 -5.782 -0.441 1.00 0.00 H new ATOM 0 HA GLU B 5 4.978 -3.597 1.484 1.00 0.00 H new ATOM 0 HB2 GLU B 5 3.447 -5.532 1.028 1.00 0.00 H new ATOM 0 HB3 GLU B 5 4.746 -6.661 1.356 1.00 0.00 H new ATOM 0 HG2 GLU B 5 4.419 -6.514 3.616 1.00 0.00 H new ATOM 0 HG3 GLU B 5 4.465 -4.763 3.576 1.00 0.00 H new ATOM 1185 N SER B 6 7.741 -4.253 1.716 1.00 0.00 N ATOM 1186 CA SER B 6 8.993 -4.358 2.523 1.00 0.00 C ATOM 1187 C SER B 6 10.204 -3.964 1.672 1.00 0.00 C ATOM 1188 O SER B 6 11.276 -4.517 1.809 1.00 0.00 O ATOM 1189 CB SER B 6 9.084 -5.828 2.933 1.00 0.00 C ATOM 1190 OG SER B 6 8.952 -5.929 4.344 1.00 0.00 O ATOM 0 H SER B 6 7.844 -3.784 0.816 1.00 0.00 H new ATOM 0 HA SER B 6 8.981 -3.695 3.388 1.00 0.00 H new ATOM 0 HB2 SER B 6 8.301 -6.404 2.440 1.00 0.00 H new ATOM 0 HB3 SER B 6 10.038 -6.248 2.614 1.00 0.00 H new ATOM 0 HG SER B 6 8.015 -5.789 4.596 1.00 0.00 H new ATOM 1196 N SER B 7 10.041 -3.012 0.794 1.00 0.00 N ATOM 1197 CA SER B 7 11.184 -2.586 -0.064 1.00 0.00 C ATOM 1198 C SER B 7 10.728 -1.521 -1.066 1.00 0.00 C ATOM 1199 O SER B 7 9.566 -1.436 -1.410 1.00 0.00 O ATOM 1200 CB SER B 7 11.625 -3.854 -0.795 1.00 0.00 C ATOM 1201 OG SER B 7 13.045 -3.922 -0.801 1.00 0.00 O ATOM 0 H SER B 7 9.167 -2.511 0.634 1.00 0.00 H new ATOM 0 HA SER B 7 11.994 -2.147 0.518 1.00 0.00 H new ATOM 0 HB2 SER B 7 11.209 -4.734 -0.304 1.00 0.00 H new ATOM 0 HB3 SER B 7 11.245 -3.850 -1.817 1.00 0.00 H new ATOM 0 HG SER B 7 13.332 -4.735 -1.267 1.00 0.00 H new ATOM 1207 N LEU B 8 11.635 -0.709 -1.536 1.00 0.00 N ATOM 1208 CA LEU B 8 11.255 0.349 -2.515 1.00 0.00 C ATOM 1209 C LEU B 8 12.322 0.469 -3.607 1.00 0.00 C ATOM 1210 O LEU B 8 13.214 1.290 -3.530 1.00 0.00 O ATOM 1211 CB LEU B 8 11.176 1.637 -1.697 1.00 0.00 C ATOM 1212 CG LEU B 8 10.234 2.622 -2.386 1.00 0.00 C ATOM 1213 CD1 LEU B 8 10.768 2.928 -3.781 1.00 0.00 C ATOM 1214 CD2 LEU B 8 8.832 2.007 -2.491 1.00 0.00 C ATOM 0 H LEU B 8 12.623 -0.732 -1.284 1.00 0.00 H new ATOM 0 HA LEU B 8 10.313 0.127 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU B 8 10.819 1.420 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU B 8 12.168 2.077 -1.595 1.00 0.00 H new ATOM 0 HG LEU B 8 10.176 3.543 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU B 8 10.101 3.631 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU B 8 11.763 3.366 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU B 8 10.822 2.006 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU B 8 8.162 2.712 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU B 8 8.881 1.086 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU B 8 8.456 1.785 -1.492 1.00 0.00 H new