USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 61 THR OG1 : rot 133:sc= 1.93 USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -2.6! USER MOD Single : A 1 MET CE :methyl 165:sc= -0.101 (180deg=-0.156) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.06! C(o=-3.1!,f=-11!) USER MOD Single : A 10 THR OG1 : rot -110:sc= 0.0796! USER MOD Single : A 17 LYS NZ :NH3+ 148:sc= -0.0615 (180deg=-0.628) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 75:sc= 0.12 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.462 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -11.8! C(o=-12!,f=-23!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.433 11.965 -2.045 1.00 0.00 N ATOM 2 CA MET A 1 10.972 11.754 -1.835 1.00 0.00 C ATOM 3 C MET A 1 10.445 10.687 -2.800 1.00 0.00 C ATOM 4 O MET A 1 9.757 10.986 -3.755 1.00 0.00 O ATOM 5 CB MET A 1 10.329 13.110 -2.130 1.00 0.00 C ATOM 6 CG MET A 1 8.961 13.185 -1.450 1.00 0.00 C ATOM 7 SD MET A 1 9.096 14.162 0.067 1.00 0.00 S ATOM 8 CE MET A 1 8.822 12.807 1.234 1.00 0.00 C ATOM 0 H1 MET A 1 12.777 12.691 -1.384 1.00 0.00 H new ATOM 0 H2 MET A 1 12.941 11.073 -1.875 1.00 0.00 H new ATOM 0 H3 MET A 1 12.602 12.278 -3.022 1.00 0.00 H new ATOM 0 HA MET A 1 10.746 11.407 -0.827 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.970 13.914 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.220 13.246 -3.206 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.232 13.637 -2.123 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.602 12.182 -1.219 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.122 13.121 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.765 12.540 1.240 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.413 11.942 0.933 1.00 0.00 H new ATOM 20 N LYS A 2 10.765 9.446 -2.557 1.00 0.00 N ATOM 21 CA LYS A 2 10.282 8.361 -3.459 1.00 0.00 C ATOM 22 C LYS A 2 9.621 7.253 -2.636 1.00 0.00 C ATOM 23 O LYS A 2 9.757 7.199 -1.433 1.00 0.00 O ATOM 24 CB LYS A 2 11.536 7.831 -4.155 1.00 0.00 C ATOM 25 CG LYS A 2 12.318 8.996 -4.766 1.00 0.00 C ATOM 26 CD LYS A 2 13.796 8.611 -4.879 1.00 0.00 C ATOM 27 CE LYS A 2 14.529 9.646 -5.735 1.00 0.00 C ATOM 28 NZ LYS A 2 15.955 9.547 -5.316 1.00 0.00 N ATOM 0 H LYS A 2 11.340 9.136 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 2 9.541 8.718 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.161 7.296 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.259 7.119 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.918 9.241 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.209 9.886 -4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.246 8.559 -3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.892 7.621 -5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.414 9.433 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.136 10.649 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.524 10.227 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.034 9.761 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.303 8.584 -5.495 1.00 0.00 H new ATOM 42 N CYS A 3 8.909 6.365 -3.276 1.00 0.00 N ATOM 43 CA CYS A 3 8.247 5.261 -2.522 1.00 0.00 C ATOM 44 C CYS A 3 8.336 3.955 -3.317 1.00 0.00 C ATOM 45 O CYS A 3 8.020 3.907 -4.489 1.00 0.00 O ATOM 46 CB CYS A 3 6.789 5.703 -2.373 1.00 0.00 C ATOM 47 SG CYS A 3 6.141 5.134 -0.780 1.00 0.00 S ATOM 0 H CYS A 3 8.757 6.356 -4.285 1.00 0.00 H new ATOM 0 HA CYS A 3 8.717 5.078 -1.556 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.719 6.789 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.190 5.295 -3.187 1.00 0.00 H new ATOM 52 N LYS A 4 8.766 2.894 -2.690 1.00 0.00 N ATOM 53 CA LYS A 4 8.877 1.594 -3.412 1.00 0.00 C ATOM 54 C LYS A 4 7.550 0.832 -3.340 1.00 0.00 C ATOM 55 O LYS A 4 6.966 0.682 -2.285 1.00 0.00 O ATOM 56 CB LYS A 4 9.976 0.825 -2.678 1.00 0.00 C ATOM 57 CG LYS A 4 10.395 -0.388 -3.511 1.00 0.00 C ATOM 58 CD LYS A 4 11.900 -0.617 -3.359 1.00 0.00 C ATOM 59 CE LYS A 4 12.189 -2.120 -3.348 1.00 0.00 C ATOM 60 NZ LYS A 4 13.610 -2.233 -2.916 1.00 0.00 N ATOM 0 H LYS A 4 9.045 2.871 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 4 9.109 1.728 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.834 1.474 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.618 0.502 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.847 -1.272 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.145 -0.226 -4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.436 -0.139 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.257 -0.160 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.524 -2.645 -2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.040 -2.558 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.884 -3.236 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.219 -1.729 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.720 -1.813 -1.971 1.00 0.00 H new ATOM 74 N ILE A 5 7.071 0.349 -4.453 1.00 0.00 N ATOM 75 CA ILE A 5 5.784 -0.404 -4.447 1.00 0.00 C ATOM 76 C ILE A 5 5.979 -1.789 -5.071 1.00 0.00 C ATOM 77 O ILE A 5 6.823 -1.983 -5.924 1.00 0.00 O ATOM 78 CB ILE A 5 4.828 0.437 -5.291 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.419 1.686 -4.506 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.580 -0.385 -5.622 1.00 0.00 C ATOM 81 CD1 ILE A 5 4.807 2.936 -5.297 1.00 0.00 C ATOM 0 H ILE A 5 7.515 0.443 -5.367 1.00 0.00 H new ATOM 0 HA ILE A 5 5.402 -0.562 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 5 5.325 0.733 -6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.345 1.678 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.908 1.693 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.898 0.215 -6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.868 -1.276 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.083 -0.681 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.516 3.825 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.885 2.945 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.297 2.930 -6.260 1.00 0.00 H new ATOM 93 N CYS A 6 5.206 -2.751 -4.652 1.00 0.00 N ATOM 94 CA CYS A 6 5.346 -4.123 -5.219 1.00 0.00 C ATOM 95 C CYS A 6 4.176 -5.002 -4.770 1.00 0.00 C ATOM 96 O CYS A 6 3.563 -4.759 -3.750 1.00 0.00 O ATOM 97 CB CYS A 6 6.662 -4.651 -4.650 1.00 0.00 C ATOM 98 SG CYS A 6 6.687 -4.396 -2.858 1.00 0.00 S ATOM 0 H CYS A 6 4.482 -2.648 -3.941 1.00 0.00 H new ATOM 0 HA CYS A 6 5.343 -4.123 -6.309 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.771 -5.711 -4.879 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.504 -4.137 -5.113 1.00 0.00 H new ATOM 103 N ASN A 7 3.861 -6.021 -5.522 1.00 0.00 N ATOM 104 CA ASN A 7 2.729 -6.909 -5.133 1.00 0.00 C ATOM 105 C ASN A 7 3.023 -8.357 -5.535 1.00 0.00 C ATOM 106 O ASN A 7 4.153 -8.804 -5.502 1.00 0.00 O ATOM 107 CB ASN A 7 1.523 -6.370 -5.905 1.00 0.00 C ATOM 108 CG ASN A 7 1.772 -6.509 -7.407 1.00 0.00 C ATOM 109 OD1 ASN A 7 1.969 -7.600 -7.905 1.00 0.00 O ATOM 110 ND2 ASN A 7 1.771 -5.440 -8.156 1.00 0.00 N ATOM 0 H ASN A 7 4.337 -6.277 -6.387 1.00 0.00 H new ATOM 0 HA ASN A 7 2.558 -6.912 -4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.624 -6.917 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.353 -5.324 -5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.936 -5.520 -9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.606 -4.524 -7.738 1.00 0.00 H new ATOM 117 N PHE A 8 2.013 -9.093 -5.910 1.00 0.00 N ATOM 118 CA PHE A 8 2.227 -10.514 -6.311 1.00 0.00 C ATOM 119 C PHE A 8 2.641 -11.351 -5.099 1.00 0.00 C ATOM 120 O PHE A 8 3.697 -11.951 -5.078 1.00 0.00 O ATOM 121 CB PHE A 8 3.351 -10.474 -7.348 1.00 0.00 C ATOM 122 CG PHE A 8 3.188 -11.624 -8.312 1.00 0.00 C ATOM 123 CD1 PHE A 8 1.941 -11.873 -8.899 1.00 0.00 C ATOM 124 CD2 PHE A 8 4.281 -12.444 -8.616 1.00 0.00 C ATOM 125 CE1 PHE A 8 1.789 -12.941 -9.793 1.00 0.00 C ATOM 126 CE2 PHE A 8 4.129 -13.511 -9.509 1.00 0.00 C ATOM 127 CZ PHE A 8 2.883 -13.759 -10.097 1.00 0.00 C ATOM 0 H PHE A 8 1.046 -8.771 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 8 1.321 -10.968 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.329 -9.527 -7.888 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.320 -10.536 -6.852 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.097 -11.242 -8.663 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.242 -12.253 -8.161 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.828 -13.133 -10.247 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.973 -14.143 -9.744 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.766 -14.582 -10.786 1.00 0.00 H new ATOM 137 N ASP A 9 1.810 -11.398 -4.089 1.00 0.00 N ATOM 138 CA ASP A 9 2.129 -12.199 -2.862 1.00 0.00 C ATOM 139 C ASP A 9 3.192 -11.506 -1.996 1.00 0.00 C ATOM 140 O ASP A 9 3.096 -11.494 -0.785 1.00 0.00 O ATOM 141 CB ASP A 9 2.651 -13.543 -3.375 1.00 0.00 C ATOM 142 CG ASP A 9 2.416 -14.619 -2.312 1.00 0.00 C ATOM 143 OD1 ASP A 9 2.463 -14.285 -1.139 1.00 0.00 O ATOM 144 OD2 ASP A 9 2.193 -15.758 -2.689 1.00 0.00 O ATOM 0 H ASP A 9 0.914 -10.911 -4.059 1.00 0.00 H new ATOM 0 HA ASP A 9 1.249 -12.314 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.143 -13.814 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.714 -13.469 -3.605 1.00 0.00 H new ATOM 149 N THR A 10 4.204 -10.932 -2.591 1.00 0.00 N ATOM 150 CA THR A 10 5.253 -10.255 -1.774 1.00 0.00 C ATOM 151 C THR A 10 5.847 -9.070 -2.539 1.00 0.00 C ATOM 152 O THR A 10 5.244 -8.542 -3.453 1.00 0.00 O ATOM 153 CB THR A 10 6.318 -11.327 -1.533 1.00 0.00 C ATOM 154 OG1 THR A 10 7.476 -10.723 -0.973 1.00 0.00 O ATOM 155 CG2 THR A 10 6.681 -11.999 -2.858 1.00 0.00 C ATOM 0 H THR A 10 4.349 -10.902 -3.600 1.00 0.00 H new ATOM 0 HA THR A 10 4.854 -9.857 -0.841 1.00 0.00 H new ATOM 0 HB THR A 10 5.929 -12.077 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.201 -10.733 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.440 -12.762 -2.683 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.792 -12.462 -3.286 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.070 -11.252 -3.550 1.00 0.00 H new ATOM 163 N CYS A 11 7.026 -8.647 -2.169 1.00 0.00 N ATOM 164 CA CYS A 11 7.660 -7.492 -2.868 1.00 0.00 C ATOM 165 C CYS A 11 8.701 -7.984 -3.878 1.00 0.00 C ATOM 166 O CYS A 11 9.887 -7.794 -3.703 1.00 0.00 O ATOM 167 CB CYS A 11 8.332 -6.683 -1.759 1.00 0.00 C ATOM 168 SG CYS A 11 8.542 -4.969 -2.302 1.00 0.00 S ATOM 0 H CYS A 11 7.578 -9.052 -1.412 1.00 0.00 H new ATOM 0 HA CYS A 11 6.935 -6.900 -3.427 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.727 -6.717 -0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.300 -7.119 -1.513 1.00 0.00 H new ATOM 173 N ARG A 12 8.265 -8.613 -4.935 1.00 0.00 N ATOM 174 CA ARG A 12 9.233 -9.113 -5.955 1.00 0.00 C ATOM 175 C ARG A 12 9.248 -8.178 -7.167 1.00 0.00 C ATOM 176 O ARG A 12 10.055 -8.319 -8.064 1.00 0.00 O ATOM 177 CB ARG A 12 8.713 -10.496 -6.352 1.00 0.00 C ATOM 178 CG ARG A 12 9.417 -11.566 -5.516 1.00 0.00 C ATOM 179 CD ARG A 12 10.426 -12.315 -6.390 1.00 0.00 C ATOM 180 NE ARG A 12 10.996 -13.366 -5.502 1.00 0.00 N ATOM 181 CZ ARG A 12 11.443 -14.482 -6.014 1.00 0.00 C ATOM 182 NH1 ARG A 12 10.610 -15.433 -6.333 1.00 0.00 N ATOM 183 NH2 ARG A 12 12.723 -14.643 -6.208 1.00 0.00 N ATOM 0 H ARG A 12 7.283 -8.802 -5.137 1.00 0.00 H new ATOM 0 HA ARG A 12 10.253 -9.157 -5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.635 -10.549 -6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.892 -10.672 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.925 -11.105 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.685 -12.263 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.943 -12.754 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.203 -11.645 -6.759 1.00 0.00 H new ATOM 0 HE ARG A 12 11.037 -13.215 -4.494 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.609 -15.306 -6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.959 -16.304 -6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.374 -13.898 -5.960 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.073 -15.514 -6.608 1.00 0.00 H new ATOM 197 N ALA A 13 8.358 -7.223 -7.200 1.00 0.00 N ATOM 198 CA ALA A 13 8.320 -6.279 -8.353 1.00 0.00 C ATOM 199 C ALA A 13 9.416 -5.220 -8.206 1.00 0.00 C ATOM 200 O ALA A 13 10.280 -5.086 -9.049 1.00 0.00 O ATOM 201 CB ALA A 13 6.937 -5.631 -8.287 1.00 0.00 C ATOM 0 H ALA A 13 7.656 -7.056 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 13 8.490 -6.782 -9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.829 -4.920 -9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.170 -6.401 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.824 -5.110 -7.336 1.00 0.00 H new ATOM 207 N GLY A 14 9.387 -4.468 -7.139 1.00 0.00 N ATOM 208 CA GLY A 14 10.427 -3.419 -6.939 1.00 0.00 C ATOM 209 C GLY A 14 10.085 -2.192 -7.787 1.00 0.00 C ATOM 210 O GLY A 14 10.948 -1.570 -8.373 1.00 0.00 O ATOM 0 H GLY A 14 8.689 -4.535 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.482 -3.143 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.407 -3.806 -7.219 1.00 0.00 H new ATOM 214 N GLU A 15 8.829 -1.840 -7.858 1.00 0.00 N ATOM 215 CA GLU A 15 8.433 -0.652 -8.669 1.00 0.00 C ATOM 216 C GLU A 15 8.308 0.583 -7.771 1.00 0.00 C ATOM 217 O GLU A 15 7.303 0.792 -7.122 1.00 0.00 O ATOM 218 CB GLU A 15 7.074 -1.019 -9.269 1.00 0.00 C ATOM 219 CG GLU A 15 7.149 -0.932 -10.793 1.00 0.00 C ATOM 220 CD GLU A 15 5.772 -0.567 -11.352 1.00 0.00 C ATOM 221 OE1 GLU A 15 4.803 -1.172 -10.928 1.00 0.00 O ATOM 222 OE2 GLU A 15 5.712 0.312 -12.197 1.00 0.00 O ATOM 0 H GLU A 15 8.062 -2.323 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 15 9.167 -0.412 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.791 -2.027 -8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.305 -0.345 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.884 -0.183 -11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.480 -1.885 -11.206 1.00 0.00 H new ATOM 229 N LEU A 16 9.323 1.402 -7.728 1.00 0.00 N ATOM 230 CA LEU A 16 9.262 2.622 -6.871 1.00 0.00 C ATOM 231 C LEU A 16 8.974 3.859 -7.728 1.00 0.00 C ATOM 232 O LEU A 16 9.283 3.897 -8.903 1.00 0.00 O ATOM 233 CB LEU A 16 10.645 2.723 -6.228 1.00 0.00 C ATOM 234 CG LEU A 16 10.797 4.089 -5.557 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.482 3.919 -4.200 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.646 5.002 -6.445 1.00 0.00 C ATOM 0 H LEU A 16 10.192 1.280 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 16 8.469 2.564 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.775 1.929 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.420 2.589 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 16 9.812 4.534 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.590 4.893 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.878 3.269 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.467 3.474 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.755 5.976 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.630 4.557 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.158 5.125 -7.412 1.00 0.00 H new ATOM 248 N LYS A 17 8.385 4.869 -7.148 1.00 0.00 N ATOM 249 CA LYS A 17 8.080 6.102 -7.926 1.00 0.00 C ATOM 250 C LYS A 17 8.060 7.318 -6.996 1.00 0.00 C ATOM 251 O LYS A 17 8.542 7.267 -5.882 1.00 0.00 O ATOM 252 CB LYS A 17 6.694 5.860 -8.523 1.00 0.00 C ATOM 253 CG LYS A 17 6.779 5.913 -10.050 1.00 0.00 C ATOM 254 CD LYS A 17 6.241 4.608 -10.638 1.00 0.00 C ATOM 255 CE LYS A 17 4.769 4.786 -11.017 1.00 0.00 C ATOM 256 NZ LYS A 17 4.788 5.640 -12.238 1.00 0.00 N ATOM 0 H LYS A 17 8.102 4.893 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 17 8.825 6.302 -8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.313 4.890 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.994 6.613 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.204 6.758 -10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.812 6.066 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.822 4.326 -11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.346 3.800 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.293 3.826 -11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.208 5.260 -10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.987 5.387 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.711 6.640 -11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.679 5.490 -12.753 1.00 0.00 H new ATOM 270 N VAL A 18 7.508 8.411 -7.444 1.00 0.00 N ATOM 271 CA VAL A 18 7.461 9.626 -6.586 1.00 0.00 C ATOM 272 C VAL A 18 6.017 10.103 -6.418 1.00 0.00 C ATOM 273 O VAL A 18 5.212 10.009 -7.324 1.00 0.00 O ATOM 274 CB VAL A 18 8.284 10.663 -7.345 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.764 10.284 -7.280 1.00 0.00 C ATOM 276 CG2 VAL A 18 7.832 10.698 -8.806 1.00 0.00 C ATOM 0 H VAL A 18 7.087 8.515 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 18 7.849 9.444 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 18 8.140 11.645 -6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.353 11.024 -7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.087 10.255 -6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.909 9.303 -7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.418 11.438 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.979 9.716 -9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.776 10.965 -8.854 1.00 0.00 H new ATOM 286 N CYS A 19 5.682 10.614 -5.264 1.00 0.00 N ATOM 287 CA CYS A 19 4.288 11.097 -5.040 1.00 0.00 C ATOM 288 C CYS A 19 4.212 11.906 -3.742 1.00 0.00 C ATOM 289 O CYS A 19 3.488 12.877 -3.648 1.00 0.00 O ATOM 290 CB CYS A 19 3.442 9.828 -4.933 1.00 0.00 C ATOM 291 SG CYS A 19 3.945 8.887 -3.472 1.00 0.00 S ATOM 0 H CYS A 19 6.311 10.718 -4.468 1.00 0.00 H new ATOM 0 HA CYS A 19 3.942 11.750 -5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.385 10.087 -4.865 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.564 9.220 -5.830 1.00 0.00 H new ATOM 296 N ALA A 20 4.954 11.516 -2.743 1.00 0.00 N ATOM 297 CA ALA A 20 4.923 12.264 -1.454 1.00 0.00 C ATOM 298 C ALA A 20 5.592 13.631 -1.620 1.00 0.00 C ATOM 299 O ALA A 20 6.538 13.958 -0.933 1.00 0.00 O ATOM 300 CB ALA A 20 5.711 11.395 -0.472 1.00 0.00 C ATOM 0 H ALA A 20 5.581 10.712 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 20 3.906 12.449 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.734 11.879 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.231 10.420 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.730 11.266 -0.837 1.00 0.00 H new ATOM 306 N SER A 21 5.106 14.432 -2.529 1.00 0.00 N ATOM 307 CA SER A 21 5.713 15.777 -2.740 1.00 0.00 C ATOM 308 C SER A 21 4.996 16.823 -1.880 1.00 0.00 C ATOM 309 O SER A 21 5.543 17.859 -1.560 1.00 0.00 O ATOM 310 CB SER A 21 5.511 16.074 -4.225 1.00 0.00 C ATOM 311 OG SER A 21 5.788 17.447 -4.473 1.00 0.00 O ATOM 0 H SER A 21 4.315 14.213 -3.135 1.00 0.00 H new ATOM 0 HA SER A 21 6.766 15.803 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.168 15.445 -4.826 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.488 15.839 -4.519 1.00 0.00 H new ATOM 0 HG SER A 21 5.661 17.640 -5.425 1.00 0.00 H new ATOM 317 N GLY A 22 3.774 16.559 -1.505 1.00 0.00 N ATOM 318 CA GLY A 22 3.024 17.536 -0.667 1.00 0.00 C ATOM 319 C GLY A 22 2.276 16.793 0.442 1.00 0.00 C ATOM 320 O GLY A 22 2.740 16.698 1.561 1.00 0.00 O ATOM 0 H GLY A 22 3.263 15.709 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.712 18.261 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.320 18.094 -1.284 1.00 0.00 H new ATOM 324 N GLU A 23 1.122 16.265 0.141 1.00 0.00 N ATOM 325 CA GLU A 23 0.346 15.527 1.179 1.00 0.00 C ATOM 326 C GLU A 23 -0.144 14.189 0.620 1.00 0.00 C ATOM 327 O GLU A 23 -1.306 14.024 0.305 1.00 0.00 O ATOM 328 CB GLU A 23 -0.838 16.436 1.509 1.00 0.00 C ATOM 329 CG GLU A 23 -1.671 16.667 0.247 1.00 0.00 C ATOM 330 CD GLU A 23 -1.757 18.167 -0.040 1.00 0.00 C ATOM 331 OE1 GLU A 23 -0.801 18.703 -0.576 1.00 0.00 O ATOM 332 OE2 GLU A 23 -2.776 18.755 0.282 1.00 0.00 O ATOM 0 H GLU A 23 0.682 16.312 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 23 0.945 15.302 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.453 15.982 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.481 17.388 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.220 16.149 -0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.671 16.253 0.378 1.00 0.00 H new ATOM 339 N LYS A 24 0.735 13.233 0.493 1.00 0.00 N ATOM 340 CA LYS A 24 0.319 11.906 -0.046 1.00 0.00 C ATOM 341 C LYS A 24 1.163 10.793 0.579 1.00 0.00 C ATOM 342 O LYS A 24 2.256 10.504 0.133 1.00 0.00 O ATOM 343 CB LYS A 24 0.575 11.993 -1.551 1.00 0.00 C ATOM 344 CG LYS A 24 -0.340 13.054 -2.165 1.00 0.00 C ATOM 345 CD LYS A 24 -0.109 13.118 -3.676 1.00 0.00 C ATOM 346 CE LYS A 24 0.330 14.532 -4.067 1.00 0.00 C ATOM 347 NZ LYS A 24 0.569 14.468 -5.535 1.00 0.00 N ATOM 0 H LYS A 24 1.722 13.313 0.739 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.723 11.677 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.619 12.245 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.392 11.025 -2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.383 12.815 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.140 14.026 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.653 12.395 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.023 12.850 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.439 15.266 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.233 14.827 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.874 15.401 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.310 13.767 -5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.310 14.191 -6.018 1.00 0.00 H new ATOM 361 N TYR A 25 0.663 10.162 1.607 1.00 0.00 N ATOM 362 CA TYR A 25 1.434 9.064 2.256 1.00 0.00 C ATOM 363 C TYR A 25 1.220 7.756 1.493 1.00 0.00 C ATOM 364 O TYR A 25 0.135 7.472 1.026 1.00 0.00 O ATOM 365 CB TYR A 25 0.863 8.957 3.670 1.00 0.00 C ATOM 366 CG TYR A 25 0.884 10.314 4.330 1.00 0.00 C ATOM 367 CD1 TYR A 25 1.876 11.241 3.989 1.00 0.00 C ATOM 368 CD2 TYR A 25 -0.087 10.645 5.282 1.00 0.00 C ATOM 369 CE1 TYR A 25 1.896 12.501 4.601 1.00 0.00 C ATOM 370 CE2 TYR A 25 -0.067 11.905 5.894 1.00 0.00 C ATOM 371 CZ TYR A 25 0.925 12.833 5.553 1.00 0.00 C ATOM 372 OH TYR A 25 0.946 14.074 6.155 1.00 0.00 O ATOM 0 H TYR A 25 -0.246 10.360 2.025 1.00 0.00 H new ATOM 0 HA TYR A 25 2.506 9.260 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.157 8.576 3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.447 8.248 4.256 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.625 10.985 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.852 9.929 5.545 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.661 13.217 4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.816 12.161 6.629 1.00 0.00 H new ATOM 0 HH TYR A 25 0.202 14.142 6.790 1.00 0.00 H new ATOM 382 N CYS A 26 2.238 6.952 1.366 1.00 0.00 N ATOM 383 CA CYS A 26 2.070 5.664 0.635 1.00 0.00 C ATOM 384 C CYS A 26 1.063 4.782 1.378 1.00 0.00 C ATOM 385 O CYS A 26 1.379 4.168 2.378 1.00 0.00 O ATOM 386 CB CYS A 26 3.458 5.020 0.627 1.00 0.00 C ATOM 387 SG CYS A 26 4.138 5.072 -1.050 1.00 0.00 S ATOM 0 H CYS A 26 3.173 7.128 1.734 1.00 0.00 H new ATOM 0 HA CYS A 26 1.692 5.803 -0.378 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.119 5.547 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.394 3.988 0.973 1.00 0.00 H new ATOM 392 N PHE A 27 -0.152 4.728 0.903 1.00 0.00 N ATOM 393 CA PHE A 27 -1.184 3.898 1.590 1.00 0.00 C ATOM 394 C PHE A 27 -1.083 2.435 1.153 1.00 0.00 C ATOM 395 O PHE A 27 -1.224 2.108 -0.009 1.00 0.00 O ATOM 396 CB PHE A 27 -2.528 4.503 1.167 1.00 0.00 C ATOM 397 CG PHE A 27 -2.885 4.050 -0.229 1.00 0.00 C ATOM 398 CD1 PHE A 27 -2.446 4.782 -1.338 1.00 0.00 C ATOM 399 CD2 PHE A 27 -3.656 2.896 -0.413 1.00 0.00 C ATOM 400 CE1 PHE A 27 -2.778 4.362 -2.631 1.00 0.00 C ATOM 401 CE2 PHE A 27 -3.988 2.475 -1.706 1.00 0.00 C ATOM 402 CZ PHE A 27 -3.549 3.207 -2.815 1.00 0.00 C ATOM 0 H PHE A 27 -0.475 5.222 0.071 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.058 3.904 2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.308 4.201 1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.473 5.591 1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.851 5.672 -1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.995 2.331 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.440 4.928 -3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.583 1.585 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.805 2.881 -3.813 1.00 0.00 H new ATOM 412 N LYS A 28 -0.847 1.550 2.082 1.00 0.00 N ATOM 413 CA LYS A 28 -0.749 0.108 1.727 1.00 0.00 C ATOM 414 C LYS A 28 -2.133 -0.534 1.815 1.00 0.00 C ATOM 415 O LYS A 28 -2.666 -0.732 2.889 1.00 0.00 O ATOM 416 CB LYS A 28 0.193 -0.498 2.769 1.00 0.00 C ATOM 417 CG LYS A 28 0.711 -1.847 2.266 1.00 0.00 C ATOM 418 CD LYS A 28 -0.160 -2.970 2.830 1.00 0.00 C ATOM 419 CE LYS A 28 0.308 -3.318 4.245 1.00 0.00 C ATOM 420 NZ LYS A 28 0.739 -4.741 4.166 1.00 0.00 N ATOM 0 H LYS A 28 -0.718 1.764 3.071 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.380 -0.050 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.028 0.177 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.331 -0.628 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.694 -1.872 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.748 -1.988 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.205 -2.660 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.098 -3.849 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.129 -2.673 4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.495 -3.188 4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.074 -5.055 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.065 -5.331 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.509 -4.833 3.473 1.00 0.00 H new ATOM 434 N GLU A 29 -2.722 -0.851 0.695 1.00 0.00 N ATOM 435 CA GLU A 29 -4.078 -1.469 0.714 1.00 0.00 C ATOM 436 C GLU A 29 -3.994 -2.954 0.350 1.00 0.00 C ATOM 437 O GLU A 29 -3.783 -3.312 -0.793 1.00 0.00 O ATOM 438 CB GLU A 29 -4.876 -0.700 -0.340 1.00 0.00 C ATOM 439 CG GLU A 29 -6.370 -0.957 -0.136 1.00 0.00 C ATOM 440 CD GLU A 29 -7.164 -0.268 -1.247 1.00 0.00 C ATOM 441 OE1 GLU A 29 -6.675 -0.233 -2.364 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.249 0.213 -0.963 1.00 0.00 O ATOM 0 H GLU A 29 -2.323 -0.709 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.542 -1.414 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.666 0.367 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.575 -1.014 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.570 -2.029 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.685 -0.581 0.837 1.00 0.00 H new ATOM 449 N SER A 30 -4.163 -3.820 1.311 1.00 0.00 N ATOM 450 CA SER A 30 -4.097 -5.281 1.019 1.00 0.00 C ATOM 451 C SER A 30 -5.477 -5.917 1.209 1.00 0.00 C ATOM 452 O SER A 30 -5.992 -5.990 2.308 1.00 0.00 O ATOM 453 CB SER A 30 -3.103 -5.842 2.034 1.00 0.00 C ATOM 454 OG SER A 30 -2.797 -7.188 1.696 1.00 0.00 O ATOM 0 H SER A 30 -4.344 -3.580 2.286 1.00 0.00 H new ATOM 0 HA SER A 30 -3.790 -5.486 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.194 -5.241 2.041 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.524 -5.794 3.038 1.00 0.00 H new ATOM 0 HG SER A 30 -2.158 -7.551 2.344 1.00 0.00 H new ATOM 460 N TRP A 31 -6.081 -6.376 0.146 1.00 0.00 N ATOM 461 CA TRP A 31 -7.428 -7.004 0.265 1.00 0.00 C ATOM 462 C TRP A 31 -7.296 -8.479 0.650 1.00 0.00 C ATOM 463 O TRP A 31 -6.487 -9.204 0.102 1.00 0.00 O ATOM 464 CB TRP A 31 -8.057 -6.864 -1.122 1.00 0.00 C ATOM 465 CG TRP A 31 -9.308 -6.052 -1.021 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.282 -6.239 -0.103 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.736 -4.932 -1.851 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.280 -5.306 -0.314 1.00 0.00 N ATOM 469 CE2 TRP A 31 -10.990 -4.479 -1.380 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.164 -4.272 -2.955 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -11.654 -3.409 -1.981 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -9.830 -3.195 -3.562 1.00 0.00 C ATOM 473 CH2 TRP A 31 -11.072 -2.764 -3.076 1.00 0.00 C ATOM 0 H TRP A 31 -5.700 -6.343 -0.799 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.035 -6.530 1.037 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.355 -6.386 -1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.282 -7.848 -1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.281 -6.994 0.669 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -12.127 -5.237 0.250 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.207 -4.596 -3.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -12.611 -3.081 -1.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.382 -2.696 -4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -11.579 -1.935 -3.547 1.00 0.00 H new ATOM 484 N ARG A 32 -8.084 -8.930 1.587 1.00 0.00 N ATOM 485 CA ARG A 32 -8.006 -10.358 2.009 1.00 0.00 C ATOM 486 C ARG A 32 -9.353 -11.051 1.778 1.00 0.00 C ATOM 487 O ARG A 32 -10.375 -10.410 1.637 1.00 0.00 O ATOM 488 CB ARG A 32 -7.677 -10.310 3.503 1.00 0.00 C ATOM 489 CG ARG A 32 -6.877 -11.554 3.893 1.00 0.00 C ATOM 490 CD ARG A 32 -7.487 -12.181 5.149 1.00 0.00 C ATOM 491 NE ARG A 32 -7.250 -11.185 6.231 1.00 0.00 N ATOM 492 CZ ARG A 32 -8.036 -11.152 7.273 1.00 0.00 C ATOM 493 NH1 ARG A 32 -9.195 -10.557 7.196 1.00 0.00 N ATOM 494 NH2 ARG A 32 -7.663 -11.713 8.390 1.00 0.00 N ATOM 0 H ARG A 32 -8.780 -8.370 2.080 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.260 -10.917 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.104 -9.411 3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.596 -10.259 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.883 -12.274 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.836 -11.287 4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.552 -12.374 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.016 -13.136 5.382 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.473 -10.528 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.486 -10.118 6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.810 -10.531 8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.757 -12.178 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.277 -11.687 9.204 1.00 0.00 H new ATOM 508 N GLU A 33 -9.361 -12.355 1.739 1.00 0.00 N ATOM 509 CA GLU A 33 -10.643 -13.087 1.518 1.00 0.00 C ATOM 510 C GLU A 33 -10.518 -14.533 2.001 1.00 0.00 C ATOM 511 O GLU A 33 -10.984 -14.887 3.065 1.00 0.00 O ATOM 512 CB GLU A 33 -10.867 -13.050 0.007 1.00 0.00 C ATOM 513 CG GLU A 33 -11.982 -14.029 -0.367 1.00 0.00 C ATOM 514 CD GLU A 33 -13.109 -13.274 -1.074 1.00 0.00 C ATOM 515 OE1 GLU A 33 -12.844 -12.688 -2.111 1.00 0.00 O ATOM 516 OE2 GLU A 33 -14.218 -13.294 -0.568 1.00 0.00 O ATOM 0 H GLU A 33 -8.537 -12.946 1.850 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.471 -12.638 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.134 -12.041 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.947 -13.314 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.590 -14.811 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.364 -14.520 0.528 1.00 0.00 H new ATOM 523 N ALA A 34 -9.895 -15.371 1.220 1.00 0.00 N ATOM 524 CA ALA A 34 -9.738 -16.797 1.625 1.00 0.00 C ATOM 525 C ALA A 34 -9.163 -17.608 0.462 1.00 0.00 C ATOM 526 O ALA A 34 -8.490 -18.600 0.656 1.00 0.00 O ATOM 527 CB ALA A 34 -11.153 -17.271 1.959 1.00 0.00 C ATOM 0 H ALA A 34 -9.487 -15.130 0.317 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.059 -16.918 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.123 -18.316 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.558 -16.665 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.788 -17.170 1.079 1.00 0.00 H new ATOM 533 N ARG A 35 -9.425 -17.191 -0.746 1.00 0.00 N ATOM 534 CA ARG A 35 -8.895 -17.936 -1.923 1.00 0.00 C ATOM 535 C ARG A 35 -7.715 -17.179 -2.538 1.00 0.00 C ATOM 536 O ARG A 35 -7.058 -17.658 -3.440 1.00 0.00 O ATOM 537 CB ARG A 35 -10.063 -18.006 -2.907 1.00 0.00 C ATOM 538 CG ARG A 35 -11.061 -19.067 -2.440 1.00 0.00 C ATOM 539 CD ARG A 35 -10.496 -20.460 -2.722 1.00 0.00 C ATOM 540 NE ARG A 35 -11.121 -21.343 -1.699 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.399 -21.603 -1.753 1.00 0.00 C ATOM 542 NH1 ARG A 35 -13.254 -20.792 -1.194 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.820 -22.675 -2.367 1.00 0.00 N ATOM 0 H ARG A 35 -9.983 -16.367 -0.969 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.530 -18.928 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.554 -17.035 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.698 -18.249 -3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.258 -18.952 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.013 -18.938 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.743 -20.789 -3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.409 -20.469 -2.640 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.550 -21.745 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.924 -19.954 -0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.253 -20.995 -1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.151 -23.309 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.818 -22.879 -2.410 1.00 0.00 H new ATOM 557 N GLY A 36 -7.441 -15.998 -2.053 1.00 0.00 N ATOM 558 CA GLY A 36 -6.306 -15.209 -2.606 1.00 0.00 C ATOM 559 C GLY A 36 -6.278 -13.827 -1.950 1.00 0.00 C ATOM 560 O GLY A 36 -7.170 -13.465 -1.210 1.00 0.00 O ATOM 0 H GLY A 36 -7.955 -15.546 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.365 -15.729 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.411 -15.109 -3.686 1.00 0.00 H new ATOM 564 N THR A 37 -5.263 -13.052 -2.216 1.00 0.00 N ATOM 565 CA THR A 37 -5.181 -11.694 -1.607 1.00 0.00 C ATOM 566 C THR A 37 -4.773 -10.663 -2.663 1.00 0.00 C ATOM 567 O THR A 37 -4.236 -11.002 -3.699 1.00 0.00 O ATOM 568 CB THR A 37 -4.106 -11.809 -0.525 1.00 0.00 C ATOM 569 OG1 THR A 37 -2.930 -12.371 -1.088 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.612 -12.705 0.607 1.00 0.00 C ATOM 0 H THR A 37 -4.486 -13.300 -2.829 1.00 0.00 H new ATOM 0 HA THR A 37 -6.137 -11.367 -1.198 1.00 0.00 H new ATOM 0 HB THR A 37 -3.882 -10.819 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.239 -12.444 -0.397 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.845 -12.786 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.515 -12.272 1.038 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.837 -13.696 0.213 1.00 0.00 H new ATOM 578 N ARG A 38 -5.022 -9.407 -2.409 1.00 0.00 N ATOM 579 CA ARG A 38 -4.645 -8.358 -3.400 1.00 0.00 C ATOM 580 C ARG A 38 -3.871 -7.233 -2.709 1.00 0.00 C ATOM 581 O ARG A 38 -4.443 -6.258 -2.260 1.00 0.00 O ATOM 582 CB ARG A 38 -5.972 -7.836 -3.950 1.00 0.00 C ATOM 583 CG ARG A 38 -6.002 -8.017 -5.469 1.00 0.00 C ATOM 584 CD ARG A 38 -7.260 -8.794 -5.866 1.00 0.00 C ATOM 585 NE ARG A 38 -8.313 -7.756 -6.042 1.00 0.00 N ATOM 586 CZ ARG A 38 -9.537 -8.109 -6.322 1.00 0.00 C ATOM 587 NH1 ARG A 38 -9.931 -9.332 -6.093 1.00 0.00 N ATOM 588 NH2 ARG A 38 -10.366 -7.240 -6.831 1.00 0.00 N ATOM 0 H ARG A 38 -5.469 -9.062 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.003 -8.748 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.803 -8.372 -3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.094 -6.783 -3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.991 -7.045 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.112 -8.552 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.103 -9.357 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.539 -9.513 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.077 -6.769 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.282 -10.011 -5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.888 -9.609 -6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.057 -6.285 -7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.323 -7.516 -7.050 1.00 0.00 H new ATOM 602 N ILE A 39 -2.576 -7.358 -2.620 1.00 0.00 N ATOM 603 CA ILE A 39 -1.768 -6.295 -1.958 1.00 0.00 C ATOM 604 C ILE A 39 -1.444 -5.179 -2.955 1.00 0.00 C ATOM 605 O ILE A 39 -0.837 -5.409 -3.982 1.00 0.00 O ATOM 606 CB ILE A 39 -0.490 -6.995 -1.501 1.00 0.00 C ATOM 607 CG1 ILE A 39 0.280 -6.079 -0.547 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.383 -7.310 -2.718 1.00 0.00 C ATOM 609 CD1 ILE A 39 1.557 -6.781 -0.083 1.00 0.00 C ATOM 0 H ILE A 39 -2.042 -8.150 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.298 -5.832 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.748 -7.922 -0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.528 -5.143 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.341 -5.827 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.295 -7.810 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.164 -7.962 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.640 -6.383 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.105 -6.128 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.297 -7.705 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.180 -7.011 -0.947 1.00 0.00 H new ATOM 621 N GLU A 40 -1.846 -3.973 -2.663 1.00 0.00 N ATOM 622 CA GLU A 40 -1.560 -2.846 -3.597 1.00 0.00 C ATOM 623 C GLU A 40 -1.455 -1.529 -2.823 1.00 0.00 C ATOM 624 O GLU A 40 -2.299 -1.206 -2.011 1.00 0.00 O ATOM 625 CB GLU A 40 -2.753 -2.811 -4.553 1.00 0.00 C ATOM 626 CG GLU A 40 -2.307 -3.262 -5.946 1.00 0.00 C ATOM 627 CD GLU A 40 -3.064 -4.532 -6.338 1.00 0.00 C ATOM 628 OE1 GLU A 40 -2.806 -5.561 -5.736 1.00 0.00 O ATOM 629 OE2 GLU A 40 -3.888 -4.453 -7.234 1.00 0.00 O ATOM 0 H GLU A 40 -2.360 -3.719 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.616 -2.979 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.546 -3.462 -4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.165 -1.803 -4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.498 -2.473 -6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.233 -3.449 -5.953 1.00 0.00 H new ATOM 636 N ARG A 41 -0.427 -0.765 -3.072 1.00 0.00 N ATOM 637 CA ARG A 41 -0.271 0.532 -2.353 1.00 0.00 C ATOM 638 C ARG A 41 -0.027 1.664 -3.355 1.00 0.00 C ATOM 639 O ARG A 41 0.155 1.432 -4.534 1.00 0.00 O ATOM 640 CB ARG A 41 0.947 0.344 -1.449 1.00 0.00 C ATOM 641 CG ARG A 41 2.185 0.067 -2.305 1.00 0.00 C ATOM 642 CD ARG A 41 3.354 -0.324 -1.399 1.00 0.00 C ATOM 643 NE ARG A 41 3.400 -1.812 -1.451 1.00 0.00 N ATOM 644 CZ ARG A 41 4.085 -2.476 -0.561 1.00 0.00 C ATOM 645 NH1 ARG A 41 5.204 -1.989 -0.100 1.00 0.00 N ATOM 646 NH2 ARG A 41 3.652 -3.631 -0.133 1.00 0.00 N ATOM 0 H ARG A 41 0.311 -0.982 -3.742 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.161 0.797 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.104 1.236 -0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.777 -0.483 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.978 -0.734 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.443 0.951 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.289 0.112 -1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.200 0.031 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 41 2.896 -2.312 -2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.545 -1.088 -0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.738 -2.509 0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.778 -4.014 -0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.187 -4.150 0.563 1.00 0.00 H new ATOM 660 N GLY A 42 -0.026 2.885 -2.897 1.00 0.00 N ATOM 661 CA GLY A 42 0.205 4.027 -3.827 1.00 0.00 C ATOM 662 C GLY A 42 0.586 5.273 -3.026 1.00 0.00 C ATOM 663 O GLY A 42 1.628 5.327 -2.403 1.00 0.00 O ATOM 0 H GLY A 42 -0.175 3.142 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.998 3.780 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.694 4.220 -4.413 1.00 0.00 H new ATOM 667 N CYS A 43 -0.248 6.276 -3.037 1.00 0.00 N ATOM 668 CA CYS A 43 0.068 7.519 -2.276 1.00 0.00 C ATOM 669 C CYS A 43 -1.217 8.299 -1.983 1.00 0.00 C ATOM 670 O CYS A 43 -1.716 9.028 -2.817 1.00 0.00 O ATOM 671 CB CYS A 43 0.987 8.324 -3.195 1.00 0.00 C ATOM 672 SG CYS A 43 2.356 9.009 -2.231 1.00 0.00 S ATOM 0 H CYS A 43 -1.135 6.289 -3.540 1.00 0.00 H new ATOM 0 HA CYS A 43 0.538 7.308 -1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.372 7.686 -3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.427 9.128 -3.673 1.00 0.00 H new ATOM 677 N ALA A 44 -1.756 8.152 -0.803 1.00 0.00 N ATOM 678 CA ALA A 44 -3.009 8.885 -0.461 1.00 0.00 C ATOM 679 C ALA A 44 -2.916 9.463 0.955 1.00 0.00 C ATOM 680 O ALA A 44 -1.901 9.359 1.613 1.00 0.00 O ATOM 681 CB ALA A 44 -4.117 7.834 -0.540 1.00 0.00 C ATOM 0 H ALA A 44 -1.384 7.557 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.193 9.723 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.075 8.296 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.155 7.421 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.912 7.035 0.172 1.00 0.00 H new ATOM 687 N ALA A 45 -3.969 10.074 1.426 1.00 0.00 N ATOM 688 CA ALA A 45 -3.941 10.660 2.797 1.00 0.00 C ATOM 689 C ALA A 45 -5.291 10.458 3.488 1.00 0.00 C ATOM 690 O ALA A 45 -5.554 11.017 4.535 1.00 0.00 O ATOM 691 CB ALA A 45 -3.663 12.148 2.585 1.00 0.00 C ATOM 0 H ALA A 45 -4.847 10.193 0.921 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.189 10.191 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.627 12.653 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.707 12.271 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.456 12.583 1.978 1.00 0.00 H new ATOM 697 N THR A 46 -6.151 9.664 2.911 1.00 0.00 N ATOM 698 CA THR A 46 -7.485 9.428 3.535 1.00 0.00 C ATOM 699 C THR A 46 -7.440 8.182 4.425 1.00 0.00 C ATOM 700 O THR A 46 -8.071 8.129 5.463 1.00 0.00 O ATOM 701 CB THR A 46 -8.444 9.217 2.361 1.00 0.00 C ATOM 702 OG1 THR A 46 -7.699 9.026 1.165 1.00 0.00 O ATOM 703 CG2 THR A 46 -9.347 10.442 2.211 1.00 0.00 C ATOM 0 H THR A 46 -5.988 9.168 2.035 1.00 0.00 H new ATOM 0 HA THR A 46 -7.796 10.259 4.168 1.00 0.00 H new ATOM 0 HB THR A 46 -9.057 8.336 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.310 8.126 1.162 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.029 10.291 1.375 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.921 10.585 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.735 11.325 2.025 1.00 0.00 H new ATOM 711 N CYS A 47 -6.687 7.189 4.029 1.00 0.00 N ATOM 712 CA CYS A 47 -6.574 5.945 4.839 1.00 0.00 C ATOM 713 C CYS A 47 -7.910 5.596 5.502 1.00 0.00 C ATOM 714 O CYS A 47 -8.178 6.008 6.614 1.00 0.00 O ATOM 715 CB CYS A 47 -5.516 6.258 5.894 1.00 0.00 C ATOM 716 SG CYS A 47 -4.129 7.148 5.142 1.00 0.00 S ATOM 0 H CYS A 47 -6.140 7.190 3.168 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.304 5.085 4.226 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.953 6.858 6.692 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.161 5.333 6.349 1.00 0.00 H new ATOM 721 N PRO A 48 -8.702 4.840 4.793 1.00 0.00 N ATOM 722 CA PRO A 48 -10.024 4.421 5.317 1.00 0.00 C ATOM 723 C PRO A 48 -9.851 3.333 6.380 1.00 0.00 C ATOM 724 O PRO A 48 -8.775 3.134 6.911 1.00 0.00 O ATOM 725 CB PRO A 48 -10.736 3.868 4.087 1.00 0.00 C ATOM 726 CG PRO A 48 -9.642 3.443 3.159 1.00 0.00 C ATOM 727 CD PRO A 48 -8.444 4.313 3.449 1.00 0.00 C ATOM 0 HA PRO A 48 -10.575 5.231 5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.379 3.028 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.371 4.624 3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.398 2.391 3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.955 3.553 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.518 3.740 3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.348 5.116 2.718 1.00 0.00 H new ATOM 735 N LYS A 49 -10.900 2.625 6.694 1.00 0.00 N ATOM 736 CA LYS A 49 -10.794 1.549 7.720 1.00 0.00 C ATOM 737 C LYS A 49 -10.831 0.175 7.045 1.00 0.00 C ATOM 738 O LYS A 49 -10.257 -0.025 5.993 1.00 0.00 O ATOM 739 CB LYS A 49 -12.015 1.739 8.622 1.00 0.00 C ATOM 740 CG LYS A 49 -12.013 3.160 9.190 1.00 0.00 C ATOM 741 CD LYS A 49 -10.677 3.432 9.886 1.00 0.00 C ATOM 742 CE LYS A 49 -10.924 4.224 11.172 1.00 0.00 C ATOM 743 NZ LYS A 49 -9.867 3.764 12.116 1.00 0.00 N ATOM 0 H LYS A 49 -11.827 2.745 6.285 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.862 1.602 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.930 1.563 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.998 1.011 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.172 3.883 8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.834 3.281 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.176 2.491 10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.017 3.991 9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.855 5.297 10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.920 4.030 11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.970 4.263 13.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.962 2.740 12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.930 3.968 11.714 1.00 0.00 H new ATOM 757 N GLY A 50 -11.501 -0.774 7.640 1.00 0.00 N ATOM 758 CA GLY A 50 -11.573 -2.132 7.029 1.00 0.00 C ATOM 759 C GLY A 50 -10.793 -3.126 7.891 1.00 0.00 C ATOM 760 O GLY A 50 -9.888 -2.759 8.615 1.00 0.00 O ATOM 0 H GLY A 50 -12.001 -0.668 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.613 -2.448 6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.162 -2.110 6.020 1.00 0.00 H new ATOM 764 N SER A 51 -11.136 -4.383 7.820 1.00 0.00 N ATOM 765 CA SER A 51 -10.415 -5.401 8.636 1.00 0.00 C ATOM 766 C SER A 51 -11.117 -6.758 8.528 1.00 0.00 C ATOM 767 O SER A 51 -10.767 -7.588 7.712 1.00 0.00 O ATOM 768 CB SER A 51 -10.481 -4.880 10.070 1.00 0.00 C ATOM 769 OG SER A 51 -10.362 -5.973 10.972 1.00 0.00 O ATOM 0 H SER A 51 -11.885 -4.749 7.232 1.00 0.00 H new ATOM 0 HA SER A 51 -9.388 -5.545 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.681 -4.160 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.423 -4.357 10.236 1.00 0.00 H new ATOM 0 HG SER A 51 -10.402 -5.642 11.894 1.00 0.00 H new ATOM 775 N VAL A 52 -12.105 -6.987 9.348 1.00 0.00 N ATOM 776 CA VAL A 52 -12.832 -8.288 9.297 1.00 0.00 C ATOM 777 C VAL A 52 -13.114 -8.684 7.846 1.00 0.00 C ATOM 778 O VAL A 52 -13.128 -9.849 7.503 1.00 0.00 O ATOM 779 CB VAL A 52 -14.139 -8.036 10.050 1.00 0.00 C ATOM 780 CG1 VAL A 52 -13.837 -7.767 11.524 1.00 0.00 C ATOM 781 CG2 VAL A 52 -14.847 -6.821 9.447 1.00 0.00 C ATOM 0 H VAL A 52 -12.441 -6.330 10.052 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.256 -9.102 9.738 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.781 -8.913 9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.769 -7.588 12.060 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.331 -8.631 11.955 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.195 -6.890 11.610 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -15.779 -6.640 9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.203 -5.945 9.532 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.064 -7.011 8.396 1.00 0.00 H new ATOM 791 N TYR A 53 -13.337 -7.724 6.990 1.00 0.00 N ATOM 792 CA TYR A 53 -13.616 -8.053 5.562 1.00 0.00 C ATOM 793 C TYR A 53 -12.307 -8.312 4.814 1.00 0.00 C ATOM 794 O TYR A 53 -12.261 -9.081 3.873 1.00 0.00 O ATOM 795 CB TYR A 53 -14.320 -6.817 5.000 1.00 0.00 C ATOM 796 CG TYR A 53 -15.807 -7.072 4.934 1.00 0.00 C ATOM 797 CD1 TYR A 53 -16.288 -8.270 4.393 1.00 0.00 C ATOM 798 CD2 TYR A 53 -16.703 -6.111 5.416 1.00 0.00 C ATOM 799 CE1 TYR A 53 -17.667 -8.507 4.332 1.00 0.00 C ATOM 800 CE2 TYR A 53 -18.083 -6.348 5.355 1.00 0.00 C ATOM 801 CZ TYR A 53 -18.564 -7.546 4.813 1.00 0.00 C ATOM 802 OH TYR A 53 -19.923 -7.780 4.753 1.00 0.00 O ATOM 0 H TYR A 53 -13.338 -6.729 7.216 1.00 0.00 H new ATOM 0 HA TYR A 53 -14.225 -8.951 5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -14.116 -5.951 5.630 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -13.935 -6.586 4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -15.596 -9.012 4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -16.331 -5.187 5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -18.038 -9.431 3.914 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -18.775 -5.607 5.726 1.00 0.00 H new ATOM 0 HH TYR A 53 -20.404 -7.014 5.129 1.00 0.00 H new ATOM 812 N GLY A 54 -11.242 -7.679 5.223 1.00 0.00 N ATOM 813 CA GLY A 54 -9.937 -7.889 4.535 1.00 0.00 C ATOM 814 C GLY A 54 -9.510 -6.592 3.847 1.00 0.00 C ATOM 815 O GLY A 54 -9.454 -6.508 2.637 1.00 0.00 O ATOM 0 H GLY A 54 -11.219 -7.025 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.179 -8.198 5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.025 -8.691 3.802 1.00 0.00 H new ATOM 819 N LEU A 55 -9.207 -5.578 4.610 1.00 0.00 N ATOM 820 CA LEU A 55 -8.784 -4.284 4.000 1.00 0.00 C ATOM 821 C LEU A 55 -7.643 -3.666 4.812 1.00 0.00 C ATOM 822 O LEU A 55 -7.855 -2.807 5.645 1.00 0.00 O ATOM 823 CB LEU A 55 -10.025 -3.395 4.058 1.00 0.00 C ATOM 824 CG LEU A 55 -10.921 -3.688 2.854 1.00 0.00 C ATOM 825 CD1 LEU A 55 -12.335 -4.018 3.337 1.00 0.00 C ATOM 826 CD2 LEU A 55 -10.969 -2.459 1.944 1.00 0.00 C ATOM 0 H LEU A 55 -9.234 -5.589 5.630 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.418 -4.407 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.572 -3.576 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.733 -2.345 4.060 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.519 -4.537 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.973 -4.227 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.303 -4.893 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.738 -3.170 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.607 -2.667 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.371 -1.611 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.963 -2.222 1.599 1.00 0.00 H new ATOM 838 N TYR A 56 -6.433 -4.094 4.577 1.00 0.00 N ATOM 839 CA TYR A 56 -5.282 -3.528 5.338 1.00 0.00 C ATOM 840 C TYR A 56 -4.858 -2.187 4.733 1.00 0.00 C ATOM 841 O TYR A 56 -4.387 -2.124 3.616 1.00 0.00 O ATOM 842 CB TYR A 56 -4.163 -4.559 5.191 1.00 0.00 C ATOM 843 CG TYR A 56 -3.793 -5.097 6.551 1.00 0.00 C ATOM 844 CD1 TYR A 56 -4.614 -6.044 7.176 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.629 -4.651 7.188 1.00 0.00 C ATOM 846 CE1 TYR A 56 -4.270 -6.544 8.438 1.00 0.00 C ATOM 847 CE2 TYR A 56 -2.285 -5.151 8.450 1.00 0.00 C ATOM 848 CZ TYR A 56 -3.106 -6.098 9.075 1.00 0.00 C ATOM 849 OH TYR A 56 -2.768 -6.591 10.319 1.00 0.00 O ATOM 0 H TYR A 56 -6.191 -4.810 3.892 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.530 -3.342 6.383 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.487 -5.373 4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.293 -4.102 4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.512 -6.389 6.685 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.996 -3.921 6.706 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.903 -7.274 8.920 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.387 -4.806 8.941 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.931 -6.178 10.618 1.00 0.00 H new ATOM 859 N VAL A 57 -5.021 -1.117 5.460 1.00 0.00 N ATOM 860 CA VAL A 57 -4.625 0.217 4.921 1.00 0.00 C ATOM 861 C VAL A 57 -3.531 0.838 5.794 1.00 0.00 C ATOM 862 O VAL A 57 -3.776 1.261 6.906 1.00 0.00 O ATOM 863 CB VAL A 57 -5.900 1.059 4.978 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.404 1.123 6.421 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.598 2.475 4.482 1.00 0.00 C ATOM 0 H VAL A 57 -5.410 -1.107 6.403 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.223 0.152 3.910 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.663 0.606 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.313 1.723 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.618 0.115 6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.641 1.576 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.506 3.076 4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.835 2.927 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.237 2.431 3.454 1.00 0.00 H new ATOM 875 N LEU A 58 -2.325 0.894 5.299 1.00 0.00 N ATOM 876 CA LEU A 58 -1.216 1.488 6.103 1.00 0.00 C ATOM 877 C LEU A 58 -0.575 2.656 5.347 1.00 0.00 C ATOM 878 O LEU A 58 0.175 2.463 4.411 1.00 0.00 O ATOM 879 CB LEU A 58 -0.207 0.352 6.284 1.00 0.00 C ATOM 880 CG LEU A 58 -0.236 -0.132 7.734 1.00 0.00 C ATOM 881 CD1 LEU A 58 -0.053 -1.651 7.769 1.00 0.00 C ATOM 882 CD2 LEU A 58 0.899 0.534 8.514 1.00 0.00 C ATOM 0 H LEU A 58 -2.058 0.555 4.375 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.566 1.882 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.446 -0.471 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.794 0.696 6.025 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.193 0.130 8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.074 -1.996 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.859 -2.128 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.904 -1.913 7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.880 0.190 9.548 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.855 0.271 8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.772 1.616 8.489 1.00 0.00 H new ATOM 894 N CYS A 59 -0.864 3.867 5.743 1.00 0.00 N ATOM 895 CA CYS A 59 -0.267 5.040 5.041 1.00 0.00 C ATOM 896 C CYS A 59 1.076 5.414 5.669 1.00 0.00 C ATOM 897 O CYS A 59 1.182 5.619 6.861 1.00 0.00 O ATOM 898 CB CYS A 59 -1.272 6.176 5.225 1.00 0.00 C ATOM 899 SG CYS A 59 -2.872 5.684 4.543 1.00 0.00 S ATOM 0 H CYS A 59 -1.485 4.094 6.519 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.078 4.828 3.989 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.375 6.417 6.283 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.914 7.077 4.726 1.00 0.00 H new ATOM 904 N CYS A 60 2.101 5.508 4.869 1.00 0.00 N ATOM 905 CA CYS A 60 3.439 5.874 5.411 1.00 0.00 C ATOM 906 C CYS A 60 3.932 7.167 4.755 1.00 0.00 C ATOM 907 O CYS A 60 3.447 7.569 3.716 1.00 0.00 O ATOM 908 CB CYS A 60 4.352 4.708 5.032 1.00 0.00 C ATOM 909 SG CYS A 60 5.095 4.001 6.522 1.00 0.00 S ATOM 0 H CYS A 60 2.070 5.347 3.862 1.00 0.00 H new ATOM 0 HA CYS A 60 3.418 6.044 6.487 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.782 3.945 4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.133 5.051 4.353 1.00 0.00 H new ATOM 914 N THR A 61 4.896 7.822 5.348 1.00 0.00 N ATOM 915 CA THR A 61 5.410 9.081 4.747 1.00 0.00 C ATOM 916 C THR A 61 6.879 9.315 5.128 1.00 0.00 C ATOM 917 O THR A 61 7.332 8.919 6.184 1.00 0.00 O ATOM 918 CB THR A 61 4.524 10.186 5.324 1.00 0.00 C ATOM 919 OG1 THR A 61 4.788 11.405 4.644 1.00 0.00 O ATOM 920 CG2 THR A 61 4.822 10.356 6.814 1.00 0.00 C ATOM 0 H THR A 61 5.346 7.539 6.219 1.00 0.00 H new ATOM 0 HA THR A 61 5.377 9.051 3.658 1.00 0.00 H new ATOM 0 HB THR A 61 3.476 9.917 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.941 11.829 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.190 11.144 7.224 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.619 9.420 7.335 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.870 10.625 6.947 1.00 0.00 H new ATOM 928 N THR A 62 7.616 9.980 4.274 1.00 0.00 N ATOM 929 CA THR A 62 9.056 10.280 4.567 1.00 0.00 C ATOM 930 C THR A 62 9.937 9.024 4.464 1.00 0.00 C ATOM 931 O THR A 62 9.632 7.991 5.025 1.00 0.00 O ATOM 932 CB THR A 62 9.067 10.823 5.998 1.00 0.00 C ATOM 933 OG1 THR A 62 7.804 11.403 6.295 1.00 0.00 O ATOM 934 CG2 THR A 62 10.159 11.884 6.135 1.00 0.00 C ATOM 0 H THR A 62 7.281 10.332 3.377 1.00 0.00 H new ATOM 0 HA THR A 62 9.463 10.989 3.846 1.00 0.00 H new ATOM 0 HB THR A 62 9.265 10.007 6.693 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.810 11.749 7.212 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.166 12.270 7.154 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.128 11.440 5.909 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.963 12.700 5.440 1.00 0.00 H new ATOM 942 N ASP A 63 11.044 9.131 3.765 1.00 0.00 N ATOM 943 CA ASP A 63 11.990 7.974 3.621 1.00 0.00 C ATOM 944 C ASP A 63 11.243 6.665 3.347 1.00 0.00 C ATOM 945 O ASP A 63 10.651 6.086 4.233 1.00 0.00 O ATOM 946 CB ASP A 63 12.721 7.897 4.960 1.00 0.00 C ATOM 947 CG ASP A 63 14.218 8.122 4.740 1.00 0.00 C ATOM 948 OD1 ASP A 63 14.772 7.470 3.871 1.00 0.00 O ATOM 949 OD2 ASP A 63 14.785 8.940 5.444 1.00 0.00 O ATOM 0 H ASP A 63 11.336 9.981 3.282 1.00 0.00 H new ATOM 0 HA ASP A 63 12.668 8.116 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.327 8.648 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.553 6.924 5.422 1.00 0.00 H new ATOM 954 N ASP A 64 11.278 6.187 2.127 1.00 0.00 N ATOM 955 CA ASP A 64 10.568 4.907 1.806 1.00 0.00 C ATOM 956 C ASP A 64 9.071 5.053 2.102 1.00 0.00 C ATOM 957 O ASP A 64 8.266 5.182 1.201 1.00 0.00 O ATOM 958 CB ASP A 64 11.199 3.860 2.723 1.00 0.00 C ATOM 959 CG ASP A 64 12.255 3.072 1.947 1.00 0.00 C ATOM 960 OD1 ASP A 64 12.520 3.432 0.813 1.00 0.00 O ATOM 961 OD2 ASP A 64 12.782 2.121 2.503 1.00 0.00 O ATOM 0 H ASP A 64 11.764 6.624 1.343 1.00 0.00 H new ATOM 0 HA ASP A 64 10.662 4.631 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.654 4.345 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.432 3.185 3.103 1.00 0.00 H new ATOM 966 N CYS A 65 8.685 5.069 3.354 1.00 0.00 N ATOM 967 CA CYS A 65 7.257 5.245 3.680 1.00 0.00 C ATOM 968 C CYS A 65 6.680 6.390 2.840 1.00 0.00 C ATOM 969 O CYS A 65 5.498 6.446 2.574 1.00 0.00 O ATOM 970 CB CYS A 65 7.249 5.606 5.165 1.00 0.00 C ATOM 971 SG CYS A 65 7.076 4.104 6.157 1.00 0.00 S ATOM 0 H CYS A 65 9.306 4.967 4.157 1.00 0.00 H new ATOM 0 HA CYS A 65 6.656 4.360 3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 65 8.172 6.123 5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.428 6.291 5.378 1.00 0.00 H new ATOM 976 N ASN A 66 7.518 7.303 2.418 1.00 0.00 N ATOM 977 CA ASN A 66 7.030 8.443 1.589 1.00 0.00 C ATOM 978 C ASN A 66 6.479 7.929 0.257 1.00 0.00 C ATOM 979 O ASN A 66 7.232 7.902 -0.703 1.00 0.00 O ATOM 980 CB ASN A 66 8.261 9.326 1.356 1.00 0.00 C ATOM 981 CG ASN A 66 9.430 8.469 0.868 1.00 0.00 C ATOM 982 OD1 ASN A 66 9.343 7.260 0.839 1.00 0.00 O ATOM 983 ND2 ASN A 66 10.533 9.053 0.484 1.00 0.00 N ATOM 984 OXT ASN A 66 5.314 7.571 0.220 1.00 0.00 O ATOM 0 H ASN A 66 8.519 7.307 2.613 1.00 0.00 H new ATOM 0 HA ASN A 66 6.224 8.991 2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.032 10.098 0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.533 9.837 2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.321 8.492 0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.607 10.070 0.508 1.00 0.00 H new TER 991 ASN A 66