USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 369 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 37 HIS : no HE2:sc= -1.1 K(o=-1.3,f=-0.29) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= -0.178 USER MOD Set 2.1: A 9 LYS NZ :NH3+ -138:sc= -0.803 (180deg=-2.33!) USER MOD Set 2.2: A 26 THR OG1 : rot -87:sc= 0.86 USER MOD Set 3.1: A 21 LYS NZ :NH3+ 169:sc= 1.23 (180deg=-0.0153) USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= 0.899 USER MOD Set 4.1: A 16 ASN : amide:sc= -0.183 K(o=-0.11,f=-2.1) USER MOD Set 4.2: A 18 THR OG1 : rot 92:sc= 0.0735 USER MOD Set 5.1: A 11 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0) USER MOD Set 5.2: A 19 ASN : amide:sc= 1.14 K(o=2.4,f=-9.9!) USER MOD Single : A 1 ARG N :NH3+ 162:sc= 2.23 (180deg=0.579) USER MOD Single : A 2 MET CE :methyl -162:sc= -0.102 (180deg=-0.526) USER MOD Single : A 4 LYS NZ :NH3+ -147:sc= 0.539 (180deg=-1.87!) USER MOD Single : A 5 THR OG1 : rot -120:sc= -0.24 USER MOD Single : A 7 SER OG : rot -87:sc= 1.48 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.964 K(o=0.96,f=-4.9!) USER MOD Single : A 22 ASN : amide:sc= 0.497 K(o=0.5,f=-4.7!) USER MOD Single : A 33 SER OG : rot 12:sc= 0.738 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 1.63 (180deg=1.63) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.152 USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0.0698 (180deg=0.0481) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.865 -6.356 4.598 1.00 0.00 N ATOM 2 CA ARG A 1 13.454 -6.591 4.949 1.00 0.00 C ATOM 3 C ARG A 1 12.515 -5.794 4.081 1.00 0.00 C ATOM 4 O ARG A 1 12.872 -4.745 3.562 1.00 0.00 O ATOM 5 CB ARG A 1 13.174 -6.274 6.420 1.00 0.00 C ATOM 6 CG ARG A 1 13.699 -7.293 7.410 1.00 0.00 C ATOM 7 CD ARG A 1 13.560 -6.776 8.832 1.00 0.00 C ATOM 8 NE ARG A 1 13.893 -7.816 9.839 1.00 0.00 N ATOM 9 CZ ARG A 1 14.990 -7.816 10.631 1.00 0.00 C ATOM 10 NH1 ARG A 1 15.962 -6.933 10.442 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.122 -8.749 11.587 1.00 0.00 N ATOM 0 H1 ARG A 1 15.474 -6.664 5.383 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.104 -6.896 3.742 1.00 0.00 H new ATOM 0 H3 ARG A 1 15.015 -5.342 4.421 1.00 0.00 H new ATOM 0 HA ARG A 1 13.274 -7.652 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.611 -5.304 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.097 -6.180 6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.151 -8.229 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.746 -7.510 7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 1 14.214 -5.915 8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.539 -6.429 8.993 1.00 0.00 H new ATOM 0 HE ARG A 1 13.241 -8.594 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.887 -6.244 9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.784 -6.943 11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.397 -9.455 11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.948 -8.752 12.186 1.00 0.00 H new ATOM 27 N MET A 2 11.316 -6.307 3.929 1.00 0.00 N ATOM 28 CA MET A 2 10.259 -5.627 3.229 1.00 0.00 C ATOM 29 C MET A 2 9.301 -5.112 4.237 1.00 0.00 C ATOM 30 O MET A 2 8.625 -5.873 4.912 1.00 0.00 O ATOM 31 CB MET A 2 9.548 -6.549 2.244 1.00 0.00 C ATOM 32 CG MET A 2 10.395 -6.926 1.051 1.00 0.00 C ATOM 33 SD MET A 2 9.572 -8.049 -0.097 1.00 0.00 S ATOM 34 CE MET A 2 9.251 -9.476 0.945 1.00 0.00 C ATOM 0 H MET A 2 11.047 -7.221 4.294 1.00 0.00 H new ATOM 0 HA MET A 2 10.682 -4.809 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 2 9.243 -7.457 2.764 1.00 0.00 H new ATOM 0 HB3 MET A 2 8.638 -6.061 1.894 1.00 0.00 H new ATOM 0 HG2 MET A 2 10.679 -6.019 0.517 1.00 0.00 H new ATOM 0 HG3 MET A 2 11.316 -7.391 1.403 1.00 0.00 H new ATOM 0 HE1 MET A 2 9.049 -10.345 0.319 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.122 -9.673 1.570 1.00 0.00 H new ATOM 0 HE3 MET A 2 8.387 -9.277 1.579 1.00 0.00 H new ATOM 44 N CYS A 3 9.320 -3.846 4.400 1.00 0.00 N ATOM 45 CA CYS A 3 8.436 -3.186 5.305 1.00 0.00 C ATOM 46 C CYS A 3 7.124 -2.947 4.644 1.00 0.00 C ATOM 47 O CYS A 3 7.053 -2.236 3.634 1.00 0.00 O ATOM 48 CB CYS A 3 9.028 -1.874 5.779 1.00 0.00 C ATOM 49 SG CYS A 3 10.151 -1.980 7.182 1.00 0.00 S ATOM 0 H CYS A 3 9.956 -3.221 3.906 1.00 0.00 H new ATOM 0 HA CYS A 3 8.290 -3.827 6.175 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.561 -1.416 4.946 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.211 -1.203 6.042 1.00 0.00 H new ATOM 54 N LYS A 4 6.105 -3.553 5.186 1.00 0.00 N ATOM 55 CA LYS A 4 4.788 -3.413 4.676 1.00 0.00 C ATOM 56 C LYS A 4 4.087 -2.338 5.510 1.00 0.00 C ATOM 57 O LYS A 4 3.827 -2.525 6.692 1.00 0.00 O ATOM 58 CB LYS A 4 4.076 -4.773 4.769 1.00 0.00 C ATOM 59 CG LYS A 4 2.817 -4.865 3.947 1.00 0.00 C ATOM 60 CD LYS A 4 2.215 -6.267 3.934 1.00 0.00 C ATOM 61 CE LYS A 4 1.648 -6.696 5.286 1.00 0.00 C ATOM 62 NZ LYS A 4 1.068 -8.070 5.236 1.00 0.00 N ATOM 0 H LYS A 4 6.176 -4.162 6.001 1.00 0.00 H new ATOM 0 HA LYS A 4 4.780 -3.109 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.765 -5.554 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.831 -4.973 5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.081 -4.163 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.035 -4.559 2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.423 -6.307 3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.980 -6.980 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.437 -6.662 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.880 -5.989 5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.258 -8.129 5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.751 -8.278 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.790 -8.762 5.520 1.00 0.00 H new ATOM 76 N THR A 5 3.848 -1.222 4.900 1.00 0.00 N ATOM 77 CA THR A 5 3.279 -0.063 5.536 1.00 0.00 C ATOM 78 C THR A 5 1.873 0.231 4.974 1.00 0.00 C ATOM 79 O THR A 5 1.697 0.279 3.785 1.00 0.00 O ATOM 80 CB THR A 5 4.231 1.115 5.256 1.00 0.00 C ATOM 81 OG1 THR A 5 5.525 0.828 5.837 1.00 0.00 O ATOM 82 CG2 THR A 5 3.694 2.432 5.772 1.00 0.00 C ATOM 0 H THR A 5 4.048 -1.081 3.910 1.00 0.00 H new ATOM 0 HA THR A 5 3.168 -0.226 6.608 1.00 0.00 H new ATOM 0 HB THR A 5 4.323 1.223 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.748 1.518 6.497 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.405 3.228 5.548 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.741 2.650 5.290 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.549 2.368 6.850 1.00 0.00 H new ATOM 90 N PRO A 6 0.856 0.387 5.825 1.00 0.00 N ATOM 91 CA PRO A 6 -0.496 0.674 5.367 1.00 0.00 C ATOM 92 C PRO A 6 -0.640 2.067 4.778 1.00 0.00 C ATOM 93 O PRO A 6 -0.466 3.058 5.466 1.00 0.00 O ATOM 94 CB PRO A 6 -1.365 0.530 6.608 1.00 0.00 C ATOM 95 CG PRO A 6 -0.439 0.601 7.783 1.00 0.00 C ATOM 96 CD PRO A 6 0.957 0.305 7.290 1.00 0.00 C ATOM 0 HA PRO A 6 -0.781 -0.004 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.112 1.323 6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.905 -0.417 6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.480 1.589 8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.735 -0.118 8.546 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.676 1.026 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.290 -0.682 7.610 1.00 0.00 H new ATOM 104 N SER A 7 -0.951 2.089 3.503 1.00 0.00 N ATOM 105 CA SER A 7 -1.180 3.303 2.715 1.00 0.00 C ATOM 106 C SER A 7 -2.247 4.167 3.371 1.00 0.00 C ATOM 107 O SER A 7 -3.272 3.612 3.891 1.00 0.00 O ATOM 108 CB SER A 7 -1.690 2.838 1.386 1.00 0.00 C ATOM 109 OG SER A 7 -0.995 1.665 1.033 1.00 0.00 O ATOM 0 H SER A 7 -1.058 1.236 2.955 1.00 0.00 H new ATOM 0 HA SER A 7 -0.267 3.892 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.761 2.644 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.541 3.610 0.631 1.00 0.00 H new ATOM 0 HG SER A 7 -0.169 1.903 0.562 1.00 0.00 H new ATOM 115 N GLY A 8 -2.050 5.463 3.333 1.00 0.00 N ATOM 116 CA GLY A 8 -2.947 6.369 3.988 1.00 0.00 C ATOM 117 C GLY A 8 -3.873 7.129 3.053 1.00 0.00 C ATOM 118 O GLY A 8 -4.904 7.624 3.493 1.00 0.00 O ATOM 0 H GLY A 8 -1.270 5.911 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.552 5.809 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.362 7.088 4.562 1.00 0.00 H new ATOM 122 N LYS A 9 -3.547 7.215 1.769 1.00 0.00 N ATOM 123 CA LYS A 9 -4.378 7.998 0.866 1.00 0.00 C ATOM 124 C LYS A 9 -4.973 7.147 -0.224 1.00 0.00 C ATOM 125 O LYS A 9 -5.464 7.644 -1.254 1.00 0.00 O ATOM 126 CB LYS A 9 -3.591 9.092 0.277 1.00 0.00 C ATOM 127 CG LYS A 9 -2.583 8.640 -0.637 1.00 0.00 C ATOM 128 CD LYS A 9 -2.016 9.774 -1.300 1.00 0.00 C ATOM 129 CE LYS A 9 -1.289 9.273 -2.487 1.00 0.00 C ATOM 130 NZ LYS A 9 -0.511 10.293 -3.181 1.00 0.00 N ATOM 0 H LYS A 9 -2.738 6.766 1.340 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.200 8.414 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.263 9.774 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.117 9.660 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.809 8.090 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.015 7.954 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.796 10.476 -1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.340 10.310 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.621 8.469 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.007 8.841 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.626 10.178 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.845 11.236 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.494 10.193 -2.932 1.00 0.00 H new ATOM 144 N PHE A 10 -4.916 5.868 0.002 1.00 0.00 N ATOM 145 CA PHE A 10 -5.390 4.897 -0.922 1.00 0.00 C ATOM 146 C PHE A 10 -6.882 5.009 -1.188 1.00 0.00 C ATOM 147 O PHE A 10 -7.693 5.142 -0.281 1.00 0.00 O ATOM 148 CB PHE A 10 -5.019 3.502 -0.472 1.00 0.00 C ATOM 149 CG PHE A 10 -5.333 2.485 -1.499 1.00 0.00 C ATOM 150 CD1 PHE A 10 -6.329 1.544 -1.313 1.00 0.00 C ATOM 151 CD2 PHE A 10 -4.631 2.494 -2.666 1.00 0.00 C ATOM 152 CE1 PHE A 10 -6.603 0.621 -2.298 1.00 0.00 C ATOM 153 CE2 PHE A 10 -4.891 1.579 -3.658 1.00 0.00 C ATOM 154 CZ PHE A 10 -5.883 0.638 -3.474 1.00 0.00 C ATOM 0 H PHE A 10 -4.528 5.468 0.856 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.895 5.101 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.954 3.467 -0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.553 3.264 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.894 1.533 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.857 3.233 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.380 -0.114 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.322 1.596 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.095 -0.084 -4.249 1.00 0.00 H new ATOM 164 N LYS A 11 -7.201 4.903 -2.445 1.00 0.00 N ATOM 165 CA LYS A 11 -8.537 5.034 -2.936 1.00 0.00 C ATOM 166 C LYS A 11 -8.972 3.831 -3.776 1.00 0.00 C ATOM 167 O LYS A 11 -8.310 3.462 -4.778 1.00 0.00 O ATOM 168 CB LYS A 11 -8.736 6.384 -3.693 1.00 0.00 C ATOM 169 CG LYS A 11 -7.466 7.016 -4.344 1.00 0.00 C ATOM 170 CD LYS A 11 -6.790 6.163 -5.431 1.00 0.00 C ATOM 171 CE LYS A 11 -7.670 5.959 -6.655 1.00 0.00 C ATOM 172 NZ LYS A 11 -6.952 5.210 -7.722 1.00 0.00 N ATOM 0 H LYS A 11 -6.516 4.717 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.195 5.050 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.478 6.229 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.156 7.107 -2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.741 7.977 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.738 7.218 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.859 6.642 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.527 5.191 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.571 5.416 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.990 6.927 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.643 4.781 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.339 5.862 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.372 4.462 -7.291 1.00 0.00 H new ATOM 186 N GLY A 12 -10.048 3.210 -3.352 1.00 0.00 N ATOM 187 CA GLY A 12 -10.626 2.109 -4.078 1.00 0.00 C ATOM 188 C GLY A 12 -10.269 0.778 -3.469 1.00 0.00 C ATOM 189 O GLY A 12 -9.660 0.720 -2.410 1.00 0.00 O ATOM 0 H GLY A 12 -10.545 3.455 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.710 2.218 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.283 2.138 -5.112 1.00 0.00 H new ATOM 193 N TYR A 13 -10.672 -0.283 -4.118 1.00 0.00 N ATOM 194 CA TYR A 13 -10.335 -1.612 -3.683 1.00 0.00 C ATOM 195 C TYR A 13 -8.979 -1.995 -4.213 1.00 0.00 C ATOM 196 O TYR A 13 -8.652 -1.716 -5.375 1.00 0.00 O ATOM 197 CB TYR A 13 -11.372 -2.614 -4.164 1.00 0.00 C ATOM 198 CG TYR A 13 -12.168 -3.226 -3.055 1.00 0.00 C ATOM 199 CD1 TYR A 13 -13.323 -2.625 -2.592 1.00 0.00 C ATOM 200 CD2 TYR A 13 -11.758 -4.410 -2.465 1.00 0.00 C ATOM 201 CE1 TYR A 13 -14.056 -3.183 -1.570 1.00 0.00 C ATOM 202 CE2 TYR A 13 -12.478 -4.981 -1.440 1.00 0.00 C ATOM 203 CZ TYR A 13 -13.634 -4.364 -0.992 1.00 0.00 C ATOM 204 OH TYR A 13 -14.365 -4.925 0.031 1.00 0.00 O ATOM 0 H TYR A 13 -11.243 -0.250 -4.963 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.317 -1.624 -2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -12.051 -2.118 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.870 -3.406 -4.721 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.656 -1.701 -3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.858 -4.894 -2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.957 -2.700 -1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.144 -5.903 -0.989 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.933 -5.754 0.326 1.00 0.00 H new ATOM 214 N CYS A 14 -8.190 -2.648 -3.399 1.00 0.00 N ATOM 215 CA CYS A 14 -6.881 -3.036 -3.828 1.00 0.00 C ATOM 216 C CYS A 14 -6.946 -4.417 -4.496 1.00 0.00 C ATOM 217 O CYS A 14 -6.515 -5.437 -3.943 1.00 0.00 O ATOM 218 CB CYS A 14 -5.875 -3.005 -2.665 1.00 0.00 C ATOM 219 SG CYS A 14 -4.150 -2.714 -3.168 1.00 0.00 S ATOM 0 H CYS A 14 -8.432 -2.918 -2.446 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.522 -2.316 -4.563 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.173 -2.225 -1.964 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.929 -3.952 -2.129 1.00 0.00 H new ATOM 224 N VAL A 15 -7.623 -4.461 -5.608 1.00 0.00 N ATOM 225 CA VAL A 15 -7.666 -5.655 -6.424 1.00 0.00 C ATOM 226 C VAL A 15 -6.509 -5.620 -7.418 1.00 0.00 C ATOM 227 O VAL A 15 -5.950 -6.639 -7.787 1.00 0.00 O ATOM 228 CB VAL A 15 -9.033 -5.833 -7.157 1.00 0.00 C ATOM 229 CG1 VAL A 15 -10.144 -6.095 -6.147 1.00 0.00 C ATOM 230 CG2 VAL A 15 -9.380 -4.607 -8.004 1.00 0.00 C ATOM 0 H VAL A 15 -8.161 -3.678 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.563 -6.519 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.941 -6.690 -7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.091 -6.217 -6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.920 -7.003 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.216 -5.253 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.338 -4.766 -8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.445 -3.728 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.605 -4.452 -8.754 1.00 0.00 H new ATOM 240 N ASN A 16 -6.131 -4.413 -7.790 1.00 0.00 N ATOM 241 CA ASN A 16 -5.034 -4.186 -8.700 1.00 0.00 C ATOM 242 C ASN A 16 -3.866 -3.622 -7.931 1.00 0.00 C ATOM 243 O ASN A 16 -3.937 -2.501 -7.405 1.00 0.00 O ATOM 244 CB ASN A 16 -5.449 -3.242 -9.848 1.00 0.00 C ATOM 245 CG ASN A 16 -4.286 -2.822 -10.753 1.00 0.00 C ATOM 246 OD1 ASN A 16 -3.289 -3.528 -10.899 1.00 0.00 O ATOM 247 ND2 ASN A 16 -4.417 -1.674 -11.382 1.00 0.00 N ATOM 0 H ASN A 16 -6.582 -3.558 -7.465 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.743 -5.134 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.210 -3.734 -10.454 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.908 -2.349 -9.424 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.681 -1.349 -12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.254 -1.109 -11.242 1.00 0.00 H new ATOM 254 N ASN A 17 -2.798 -4.391 -7.875 1.00 0.00 N ATOM 255 CA ASN A 17 -1.592 -4.021 -7.129 1.00 0.00 C ATOM 256 C ASN A 17 -0.963 -2.753 -7.667 1.00 0.00 C ATOM 257 O ASN A 17 -0.361 -2.004 -6.928 1.00 0.00 O ATOM 258 CB ASN A 17 -0.545 -5.151 -7.113 1.00 0.00 C ATOM 259 CG ASN A 17 -1.001 -6.398 -6.367 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.864 -6.492 -5.152 1.00 0.00 O ATOM 261 ND2 ASN A 17 -1.490 -7.383 -7.091 1.00 0.00 N ATOM 0 H ASN A 17 -2.732 -5.295 -8.344 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.918 -3.843 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.300 -5.422 -8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.371 -4.779 -6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.768 -8.256 -6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.591 -7.273 -8.100 1.00 0.00 H new ATOM 268 N THR A 18 -1.131 -2.513 -8.947 1.00 0.00 N ATOM 269 CA THR A 18 -0.587 -1.340 -9.598 1.00 0.00 C ATOM 270 C THR A 18 -1.285 -0.038 -9.077 1.00 0.00 C ATOM 271 O THR A 18 -0.684 1.030 -9.067 1.00 0.00 O ATOM 272 CB THR A 18 -0.786 -1.487 -11.115 1.00 0.00 C ATOM 273 OG1 THR A 18 -0.344 -2.802 -11.489 1.00 0.00 O ATOM 274 CG2 THR A 18 0.032 -0.454 -11.882 1.00 0.00 C ATOM 0 H THR A 18 -1.652 -3.129 -9.571 1.00 0.00 H new ATOM 0 HA THR A 18 0.475 -1.256 -9.369 1.00 0.00 H new ATOM 0 HB THR A 18 -1.838 -1.334 -11.357 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.101 -3.423 -11.456 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.130 -0.583 -12.952 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.279 0.548 -11.587 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.090 -0.587 -11.656 1.00 0.00 H new ATOM 282 N ASN A 19 -2.534 -0.157 -8.590 1.00 0.00 N ATOM 283 CA ASN A 19 -3.272 0.996 -8.043 1.00 0.00 C ATOM 284 C ASN A 19 -2.618 1.364 -6.735 1.00 0.00 C ATOM 285 O ASN A 19 -2.245 2.521 -6.510 1.00 0.00 O ATOM 286 CB ASN A 19 -4.768 0.633 -7.810 1.00 0.00 C ATOM 287 CG ASN A 19 -5.638 1.781 -7.251 1.00 0.00 C ATOM 288 OD1 ASN A 19 -5.409 2.969 -7.517 1.00 0.00 O ATOM 289 ND2 ASN A 19 -6.662 1.428 -6.493 1.00 0.00 N ATOM 0 H ASN A 19 -3.051 -1.036 -8.564 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.243 1.831 -8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.197 0.299 -8.755 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.819 -0.210 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.285 2.141 -6.113 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.829 0.443 -6.288 1.00 0.00 H new ATOM 296 N CYS A 20 -2.406 0.328 -5.918 1.00 0.00 N ATOM 297 CA CYS A 20 -1.740 0.435 -4.619 1.00 0.00 C ATOM 298 C CYS A 20 -0.407 1.031 -4.834 1.00 0.00 C ATOM 299 O CYS A 20 -0.003 1.979 -4.173 1.00 0.00 O ATOM 300 CB CYS A 20 -1.469 -0.952 -4.061 1.00 0.00 C ATOM 301 SG CYS A 20 -1.026 -0.987 -2.312 1.00 0.00 S ATOM 0 H CYS A 20 -2.697 -0.623 -6.145 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.370 1.020 -3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.356 -1.568 -4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.663 -1.409 -4.635 1.00 0.00 H new ATOM 306 N LYS A 21 0.249 0.463 -5.822 1.00 0.00 N ATOM 307 CA LYS A 21 1.568 0.766 -6.175 1.00 0.00 C ATOM 308 C LYS A 21 1.700 2.242 -6.413 1.00 0.00 C ATOM 309 O LYS A 21 2.472 2.884 -5.768 1.00 0.00 O ATOM 310 CB LYS A 21 1.903 0.048 -7.446 1.00 0.00 C ATOM 311 CG LYS A 21 3.264 -0.544 -7.556 1.00 0.00 C ATOM 312 CD LYS A 21 3.307 -1.353 -8.830 1.00 0.00 C ATOM 313 CE LYS A 21 4.670 -1.890 -9.118 1.00 0.00 C ATOM 314 NZ LYS A 21 5.169 -2.816 -8.062 1.00 0.00 N ATOM 0 H LYS A 21 -0.168 -0.255 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 21 2.239 0.460 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.175 -0.751 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.771 0.746 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.022 0.239 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.478 -1.176 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.602 -2.181 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.981 -0.731 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.653 -2.414 -10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.367 -1.058 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.027 -3.298 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.392 -2.275 -7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.437 -3.523 -7.846 1.00 0.00 H new ATOM 328 N ASN A 22 0.871 2.766 -7.306 1.00 0.00 N ATOM 329 CA ASN A 22 0.929 4.173 -7.698 1.00 0.00 C ATOM 330 C ASN A 22 0.632 5.079 -6.543 1.00 0.00 C ATOM 331 O ASN A 22 1.269 6.129 -6.386 1.00 0.00 O ATOM 332 CB ASN A 22 -0.009 4.481 -8.868 1.00 0.00 C ATOM 333 CG ASN A 22 0.405 3.775 -10.148 1.00 0.00 C ATOM 334 OD1 ASN A 22 1.592 3.491 -10.366 1.00 0.00 O ATOM 335 ND2 ASN A 22 -0.547 3.497 -11.006 1.00 0.00 N ATOM 0 H ASN A 22 0.141 2.233 -7.779 1.00 0.00 H new ATOM 0 HA ASN A 22 1.951 4.361 -8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.024 4.182 -8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.028 5.557 -9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.321 3.033 -11.886 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.513 3.745 -10.794 1.00 0.00 H new ATOM 342 N VAL A 23 -0.306 4.685 -5.716 1.00 0.00 N ATOM 343 CA VAL A 23 -0.641 5.467 -4.545 1.00 0.00 C ATOM 344 C VAL A 23 0.534 5.476 -3.568 1.00 0.00 C ATOM 345 O VAL A 23 0.928 6.525 -3.088 1.00 0.00 O ATOM 346 CB VAL A 23 -1.913 4.957 -3.854 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.226 5.811 -2.654 1.00 0.00 C ATOM 348 CG2 VAL A 23 -3.083 4.957 -4.829 1.00 0.00 C ATOM 0 H VAL A 23 -0.851 3.830 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.843 6.486 -4.875 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.745 3.933 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.130 5.441 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.395 5.768 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.380 6.842 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.978 4.593 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.257 5.971 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.853 4.307 -5.673 1.00 0.00 H new ATOM 358 N CYS A 24 1.110 4.331 -3.334 1.00 0.00 N ATOM 359 CA CYS A 24 2.278 4.214 -2.484 1.00 0.00 C ATOM 360 C CYS A 24 3.464 4.966 -3.076 1.00 0.00 C ATOM 361 O CYS A 24 4.186 5.652 -2.372 1.00 0.00 O ATOM 362 CB CYS A 24 2.607 2.748 -2.244 1.00 0.00 C ATOM 363 SG CYS A 24 1.380 1.910 -1.218 1.00 0.00 S ATOM 0 H CYS A 24 0.788 3.446 -3.725 1.00 0.00 H new ATOM 0 HA CYS A 24 2.056 4.673 -1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.681 2.236 -3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.584 2.674 -1.766 1.00 0.00 H new ATOM 368 N ARG A 25 3.618 4.884 -4.385 1.00 0.00 N ATOM 369 CA ARG A 25 4.680 5.586 -5.089 1.00 0.00 C ATOM 370 C ARG A 25 4.490 7.094 -4.975 1.00 0.00 C ATOM 371 O ARG A 25 5.444 7.845 -4.953 1.00 0.00 O ATOM 372 CB ARG A 25 4.747 5.127 -6.546 1.00 0.00 C ATOM 373 CG ARG A 25 5.122 3.653 -6.664 1.00 0.00 C ATOM 374 CD ARG A 25 4.841 3.098 -8.041 1.00 0.00 C ATOM 375 NE ARG A 25 5.792 3.562 -9.033 1.00 0.00 N ATOM 376 CZ ARG A 25 5.536 3.807 -10.334 1.00 0.00 C ATOM 377 NH1 ARG A 25 4.292 3.714 -10.820 1.00 0.00 N ATOM 378 NH2 ARG A 25 6.539 4.165 -11.147 1.00 0.00 N ATOM 0 H ARG A 25 3.012 4.330 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 25 5.636 5.342 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.782 5.295 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.478 5.731 -7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.180 3.530 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.566 3.079 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.865 2.009 -8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.834 3.384 -8.346 1.00 0.00 H new ATOM 0 HE ARG A 25 6.749 3.718 -8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.522 3.455 -10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.114 3.902 -11.807 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.487 4.250 -10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.355 4.352 -12.133 1.00 0.00 H new ATOM 392 N THR A 26 3.241 7.522 -4.872 1.00 0.00 N ATOM 393 CA THR A 26 2.942 8.920 -4.679 1.00 0.00 C ATOM 394 C THR A 26 2.975 9.354 -3.200 1.00 0.00 C ATOM 395 O THR A 26 3.107 10.533 -2.904 1.00 0.00 O ATOM 396 CB THR A 26 1.617 9.333 -5.325 1.00 0.00 C ATOM 397 OG1 THR A 26 0.578 8.378 -5.108 1.00 0.00 O ATOM 398 CG2 THR A 26 1.758 9.684 -6.781 1.00 0.00 C ATOM 0 H THR A 26 2.422 6.916 -4.920 1.00 0.00 H new ATOM 0 HA THR A 26 3.747 9.448 -5.189 1.00 0.00 H new ATOM 0 HB THR A 26 1.317 10.248 -4.814 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.616 7.689 -5.804 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.785 9.968 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.453 10.517 -6.889 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.138 8.821 -7.328 1.00 0.00 H new ATOM 406 N GLU A 27 2.702 8.424 -2.311 1.00 0.00 N ATOM 407 CA GLU A 27 2.877 8.650 -0.852 1.00 0.00 C ATOM 408 C GLU A 27 4.362 8.813 -0.503 1.00 0.00 C ATOM 409 O GLU A 27 4.726 9.666 0.295 1.00 0.00 O ATOM 410 CB GLU A 27 2.205 7.541 0.033 1.00 0.00 C ATOM 411 CG GLU A 27 0.681 7.584 0.000 1.00 0.00 C ATOM 412 CD GLU A 27 -0.057 6.613 0.942 1.00 0.00 C ATOM 413 OE1 GLU A 27 0.331 6.468 2.097 1.00 0.00 O ATOM 414 OE2 GLU A 27 -1.120 6.069 0.537 1.00 0.00 O ATOM 0 H GLU A 27 2.356 7.495 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 27 2.356 9.578 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.541 6.561 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.543 7.654 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.364 8.599 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.356 7.381 -1.021 1.00 0.00 H new ATOM 421 N GLY A 28 5.199 8.010 -1.128 1.00 0.00 N ATOM 422 CA GLY A 28 6.632 8.110 -0.912 1.00 0.00 C ATOM 423 C GLY A 28 7.260 6.756 -0.704 1.00 0.00 C ATOM 424 O GLY A 28 8.123 6.577 0.154 1.00 0.00 O ATOM 0 H GLY A 28 4.916 7.284 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.096 8.599 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.826 8.739 -0.043 1.00 0.00 H new ATOM 428 N PHE A 29 6.820 5.802 -1.480 1.00 0.00 N ATOM 429 CA PHE A 29 7.286 4.446 -1.370 1.00 0.00 C ATOM 430 C PHE A 29 7.684 3.939 -2.731 1.00 0.00 C ATOM 431 O PHE A 29 7.109 4.350 -3.733 1.00 0.00 O ATOM 432 CB PHE A 29 6.181 3.545 -0.817 1.00 0.00 C ATOM 433 CG PHE A 29 5.718 3.900 0.554 1.00 0.00 C ATOM 434 CD1 PHE A 29 4.706 4.829 0.741 1.00 0.00 C ATOM 435 CD2 PHE A 29 6.280 3.296 1.652 1.00 0.00 C ATOM 436 CE1 PHE A 29 4.263 5.152 1.998 1.00 0.00 C ATOM 437 CE2 PHE A 29 5.854 3.604 2.919 1.00 0.00 C ATOM 438 CZ PHE A 29 4.837 4.541 3.098 1.00 0.00 C ATOM 0 H PHE A 29 6.123 5.945 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 29 8.141 4.427 -0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.328 3.581 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.539 2.516 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.259 5.307 -0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.067 2.569 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.473 5.877 2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.304 3.123 3.774 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.498 4.789 4.093 1.00 0.00 H new ATOM 448 N PRO A 30 8.676 3.043 -2.793 1.00 0.00 N ATOM 449 CA PRO A 30 9.117 2.446 -4.054 1.00 0.00 C ATOM 450 C PRO A 30 8.005 1.635 -4.737 1.00 0.00 C ATOM 451 O PRO A 30 7.896 1.605 -5.972 1.00 0.00 O ATOM 452 CB PRO A 30 10.267 1.507 -3.643 1.00 0.00 C ATOM 453 CG PRO A 30 10.178 1.367 -2.159 1.00 0.00 C ATOM 454 CD PRO A 30 9.479 2.585 -1.645 1.00 0.00 C ATOM 0 HA PRO A 30 9.410 3.212 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.172 0.538 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.232 1.920 -3.938 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.629 0.465 -1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.172 1.279 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.851 2.352 -0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.189 3.348 -1.324 1.00 0.00 H new ATOM 462 N THR A 31 7.170 0.987 -3.943 1.00 0.00 N ATOM 463 CA THR A 31 6.157 0.149 -4.484 1.00 0.00 C ATOM 464 C THR A 31 5.024 -0.039 -3.471 1.00 0.00 C ATOM 465 O THR A 31 5.143 0.355 -2.307 1.00 0.00 O ATOM 466 CB THR A 31 6.779 -1.226 -4.928 1.00 0.00 C ATOM 467 OG1 THR A 31 5.779 -2.144 -5.465 1.00 0.00 O ATOM 468 CG2 THR A 31 7.537 -1.881 -3.774 1.00 0.00 C ATOM 0 H THR A 31 7.187 1.036 -2.924 1.00 0.00 H new ATOM 0 HA THR A 31 5.729 0.623 -5.367 1.00 0.00 H new ATOM 0 HB THR A 31 7.481 -1.006 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.213 -2.982 -5.728 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.957 -2.830 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.342 -1.223 -3.447 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.853 -2.058 -2.944 1.00 0.00 H new ATOM 476 N GLY A 32 3.961 -0.636 -3.924 1.00 0.00 N ATOM 477 CA GLY A 32 2.815 -0.890 -3.135 1.00 0.00 C ATOM 478 C GLY A 32 2.204 -2.141 -3.636 1.00 0.00 C ATOM 479 O GLY A 32 2.427 -2.503 -4.816 1.00 0.00 O ATOM 0 H GLY A 32 3.876 -0.966 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.086 -0.989 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.109 -0.063 -3.205 1.00 0.00 H new ATOM 483 N SER A 33 1.508 -2.818 -2.801 1.00 0.00 N ATOM 484 CA SER A 33 0.918 -4.092 -3.109 1.00 0.00 C ATOM 485 C SER A 33 -0.293 -4.367 -2.201 1.00 0.00 C ATOM 486 O SER A 33 -0.407 -3.807 -1.108 1.00 0.00 O ATOM 487 CB SER A 33 1.994 -5.169 -3.003 1.00 0.00 C ATOM 488 OG SER A 33 2.925 -5.059 -4.076 1.00 0.00 O ATOM 0 H SER A 33 1.320 -2.501 -1.850 1.00 0.00 H new ATOM 0 HA SER A 33 0.535 -4.094 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.516 -5.076 -2.051 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.531 -6.155 -3.017 1.00 0.00 H new ATOM 0 HG SER A 33 2.792 -4.205 -4.538 1.00 0.00 H new ATOM 494 N CYS A 34 -1.170 -5.217 -2.656 1.00 0.00 N ATOM 495 CA CYS A 34 -2.430 -5.447 -1.995 1.00 0.00 C ATOM 496 C CYS A 34 -2.363 -6.638 -1.050 1.00 0.00 C ATOM 497 O CYS A 34 -2.047 -7.765 -1.464 1.00 0.00 O ATOM 498 CB CYS A 34 -3.495 -5.664 -3.039 1.00 0.00 C ATOM 499 SG CYS A 34 -3.618 -4.326 -4.268 1.00 0.00 S ATOM 0 H CYS A 34 -1.033 -5.774 -3.500 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.671 -4.573 -1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.294 -6.601 -3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.458 -5.775 -2.542 1.00 0.00 H new ATOM 504 N ASP A 35 -2.731 -6.395 0.177 1.00 0.00 N ATOM 505 CA ASP A 35 -2.637 -7.362 1.255 1.00 0.00 C ATOM 506 C ASP A 35 -4.019 -7.582 1.878 1.00 0.00 C ATOM 507 O ASP A 35 -4.969 -6.815 1.607 1.00 0.00 O ATOM 508 CB ASP A 35 -1.655 -6.796 2.276 1.00 0.00 C ATOM 509 CG ASP A 35 -1.428 -7.633 3.516 1.00 0.00 C ATOM 510 OD1 ASP A 35 -0.737 -8.652 3.429 1.00 0.00 O ATOM 511 OD2 ASP A 35 -1.842 -7.217 4.617 1.00 0.00 O ATOM 0 H ASP A 35 -3.116 -5.497 0.471 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.287 -8.329 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.695 -6.647 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.010 -5.813 2.586 1.00 0.00 H new ATOM 516 N PHE A 36 -4.146 -8.608 2.676 1.00 0.00 N ATOM 517 CA PHE A 36 -5.385 -8.942 3.315 1.00 0.00 C ATOM 518 C PHE A 36 -5.227 -8.973 4.816 1.00 0.00 C ATOM 519 O PHE A 36 -4.474 -9.764 5.358 1.00 0.00 O ATOM 520 CB PHE A 36 -5.945 -10.279 2.775 1.00 0.00 C ATOM 521 CG PHE A 36 -6.992 -10.954 3.654 1.00 0.00 C ATOM 522 CD1 PHE A 36 -8.121 -10.277 4.110 1.00 0.00 C ATOM 523 CD2 PHE A 36 -6.833 -12.281 4.013 1.00 0.00 C ATOM 524 CE1 PHE A 36 -9.057 -10.914 4.906 1.00 0.00 C ATOM 525 CE2 PHE A 36 -7.766 -12.921 4.809 1.00 0.00 C ATOM 526 CZ PHE A 36 -8.879 -12.236 5.256 1.00 0.00 C ATOM 0 H PHE A 36 -3.380 -9.242 2.902 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.110 -8.164 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.381 -10.100 1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.114 -10.970 2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.268 -9.242 3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.967 -12.825 3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.927 -10.376 5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.624 -13.957 5.081 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.608 -12.734 5.878 1.00 0.00 H new ATOM 536 N HIS A 37 -5.925 -8.076 5.475 1.00 0.00 N ATOM 537 CA HIS A 37 -5.965 -8.064 6.921 1.00 0.00 C ATOM 538 C HIS A 37 -7.335 -7.537 7.361 1.00 0.00 C ATOM 539 O HIS A 37 -7.580 -7.300 8.538 1.00 0.00 O ATOM 540 CB HIS A 37 -4.829 -7.173 7.496 1.00 0.00 C ATOM 541 CG HIS A 37 -5.127 -5.699 7.581 1.00 0.00 C ATOM 542 ND1 HIS A 37 -5.485 -5.078 8.755 1.00 0.00 N ATOM 543 CD2 HIS A 37 -5.098 -4.731 6.650 1.00 0.00 C ATOM 544 CE1 HIS A 37 -5.659 -3.800 8.538 1.00 0.00 C ATOM 545 NE2 HIS A 37 -5.425 -3.552 7.270 1.00 0.00 N ATOM 0 H HIS A 37 -6.476 -7.341 5.030 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.815 -9.074 7.302 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -4.583 -7.532 8.495 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -3.940 -7.309 6.880 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -5.597 -5.543 9.656 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.861 -4.858 5.604 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.947 -3.069 9.279 1.00 0.00 H new ATOM 554 N VAL A 38 -8.198 -7.342 6.385 1.00 0.00 N ATOM 555 CA VAL A 38 -9.513 -6.749 6.573 1.00 0.00 C ATOM 556 C VAL A 38 -10.449 -7.357 5.580 1.00 0.00 C ATOM 557 O VAL A 38 -9.993 -8.016 4.665 1.00 0.00 O ATOM 558 CB VAL A 38 -9.523 -5.181 6.395 1.00 0.00 C ATOM 559 CG1 VAL A 38 -8.944 -4.468 7.604 1.00 0.00 C ATOM 560 CG2 VAL A 38 -8.743 -4.761 5.143 1.00 0.00 C ATOM 0 H VAL A 38 -8.004 -7.596 5.416 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.820 -6.952 7.599 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.568 -4.889 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.970 -3.391 7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.533 -4.714 8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.913 -4.787 7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.767 -3.676 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.709 -5.095 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.198 -5.214 4.262 1.00 0.00 H new ATOM 570 N ALA A 39 -11.738 -7.136 5.752 1.00 0.00 N ATOM 571 CA ALA A 39 -12.738 -7.652 4.838 1.00 0.00 C ATOM 572 C ALA A 39 -12.657 -6.921 3.505 1.00 0.00 C ATOM 573 O ALA A 39 -13.330 -5.922 3.265 1.00 0.00 O ATOM 574 CB ALA A 39 -14.138 -7.568 5.438 1.00 0.00 C ATOM 0 H ALA A 39 -12.121 -6.595 6.527 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.531 -8.708 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -14.863 -7.963 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.176 -8.153 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.377 -6.528 5.660 1.00 0.00 H new ATOM 580 N GLY A 40 -11.746 -7.370 2.712 1.00 0.00 N ATOM 581 CA GLY A 40 -11.510 -6.813 1.448 1.00 0.00 C ATOM 582 C GLY A 40 -10.040 -6.804 1.167 1.00 0.00 C ATOM 583 O GLY A 40 -9.331 -7.759 1.495 1.00 0.00 O ATOM 0 H GLY A 40 -11.136 -8.154 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.033 -7.388 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.904 -5.797 1.408 1.00 0.00 H new ATOM 587 N ARG A 41 -9.569 -5.751 0.568 1.00 0.00 N ATOM 588 CA ARG A 41 -8.191 -5.641 0.204 1.00 0.00 C ATOM 589 C ARG A 41 -7.611 -4.369 0.766 1.00 0.00 C ATOM 590 O ARG A 41 -8.182 -3.297 0.576 1.00 0.00 O ATOM 591 CB ARG A 41 -8.130 -5.545 -1.287 1.00 0.00 C ATOM 592 CG ARG A 41 -8.876 -6.641 -2.005 1.00 0.00 C ATOM 593 CD ARG A 41 -8.163 -7.978 -1.906 1.00 0.00 C ATOM 594 NE ARG A 41 -6.817 -7.933 -2.507 1.00 0.00 N ATOM 595 CZ ARG A 41 -5.791 -8.744 -2.174 1.00 0.00 C ATOM 596 NH1 ARG A 41 -5.908 -9.590 -1.142 1.00 0.00 N ATOM 597 NH2 ARG A 41 -4.652 -8.693 -2.864 1.00 0.00 N ATOM 0 H ARG A 41 -10.135 -4.940 0.317 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.636 -6.498 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.536 -4.582 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.086 -5.566 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.877 -6.733 -1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.995 -6.371 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.083 -8.269 -0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.757 -8.743 -2.405 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.648 -7.234 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.775 -9.623 -0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.130 -10.202 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.556 -8.041 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.876 -9.305 -2.613 1.00 0.00 H new ATOM 611 N LYS A 42 -6.486 -4.462 1.416 1.00 0.00 N ATOM 612 CA LYS A 42 -5.843 -3.293 1.922 1.00 0.00 C ATOM 613 C LYS A 42 -4.571 -3.060 1.159 1.00 0.00 C ATOM 614 O LYS A 42 -3.798 -3.974 0.943 1.00 0.00 O ATOM 615 CB LYS A 42 -5.541 -3.405 3.426 1.00 0.00 C ATOM 616 CG LYS A 42 -4.855 -2.159 4.032 1.00 0.00 C ATOM 617 CD LYS A 42 -5.732 -0.914 3.948 1.00 0.00 C ATOM 618 CE LYS A 42 -5.081 0.303 4.594 1.00 0.00 C ATOM 619 NZ LYS A 42 -3.995 0.911 3.748 1.00 0.00 N ATOM 0 H LYS A 42 -5.998 -5.338 1.606 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.521 -2.450 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.474 -3.587 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.904 -4.273 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.607 -2.355 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.916 -1.975 3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.947 -0.695 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.687 -1.113 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.845 1.055 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.663 0.015 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.523 1.669 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.300 0.179 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.411 1.306 2.880 1.00 0.00 H new ATOM 633 N CYS A 43 -4.401 -1.866 0.710 1.00 0.00 N ATOM 634 CA CYS A 43 -3.185 -1.469 0.061 1.00 0.00 C ATOM 635 C CYS A 43 -2.104 -1.277 1.109 1.00 0.00 C ATOM 636 O CYS A 43 -2.375 -0.703 2.218 1.00 0.00 O ATOM 637 CB CYS A 43 -3.438 -0.175 -0.693 1.00 0.00 C ATOM 638 SG CYS A 43 -2.022 0.570 -1.545 1.00 0.00 S ATOM 0 H CYS A 43 -5.101 -1.127 0.779 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.856 -2.233 -0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.219 -0.360 -1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.833 0.557 0.012 1.00 0.00 H new ATOM 643 N TYR A 44 -0.950 -1.804 0.828 1.00 0.00 N ATOM 644 CA TYR A 44 0.204 -1.641 1.639 1.00 0.00 C ATOM 645 C TYR A 44 1.359 -1.256 0.794 1.00 0.00 C ATOM 646 O TYR A 44 1.536 -1.748 -0.309 1.00 0.00 O ATOM 647 CB TYR A 44 0.559 -2.892 2.386 1.00 0.00 C ATOM 648 CG TYR A 44 -0.224 -3.148 3.636 1.00 0.00 C ATOM 649 CD1 TYR A 44 -1.442 -3.754 3.592 1.00 0.00 C ATOM 650 CD2 TYR A 44 0.309 -2.830 4.873 1.00 0.00 C ATOM 651 CE1 TYR A 44 -2.124 -4.048 4.741 1.00 0.00 C ATOM 652 CE2 TYR A 44 -0.365 -3.105 6.026 1.00 0.00 C ATOM 653 CZ TYR A 44 -1.576 -3.720 5.958 1.00 0.00 C ATOM 654 OH TYR A 44 -2.247 -4.018 7.108 1.00 0.00 O ATOM 0 H TYR A 44 -0.788 -2.377 -0.000 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.026 -0.862 2.366 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.427 -3.742 1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.617 -2.851 2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.876 -4.006 2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.277 -2.355 4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.087 -4.535 4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.058 -2.837 6.983 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.722 -3.720 7.880 1.00 0.00 H new ATOM 664 N CYS A 45 2.129 -0.415 1.310 1.00 0.00 N ATOM 665 CA CYS A 45 3.262 0.079 0.657 1.00 0.00 C ATOM 666 C CYS A 45 4.461 -0.694 1.111 1.00 0.00 C ATOM 667 O CYS A 45 4.590 -1.012 2.293 1.00 0.00 O ATOM 668 CB CYS A 45 3.404 1.543 0.987 1.00 0.00 C ATOM 669 SG CYS A 45 1.903 2.506 0.642 1.00 0.00 S ATOM 0 H CYS A 45 1.990 -0.027 2.243 1.00 0.00 H new ATOM 0 HA CYS A 45 3.170 -0.032 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.660 1.648 2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.233 1.959 0.415 1.00 0.00 H new ATOM 674 N TYR A 46 5.320 -1.005 0.195 1.00 0.00 N ATOM 675 CA TYR A 46 6.484 -1.767 0.496 1.00 0.00 C ATOM 676 C TYR A 46 7.708 -0.942 0.340 1.00 0.00 C ATOM 677 O TYR A 46 7.851 -0.200 -0.632 1.00 0.00 O ATOM 678 CB TYR A 46 6.572 -3.037 -0.337 1.00 0.00 C ATOM 679 CG TYR A 46 5.617 -4.129 0.069 1.00 0.00 C ATOM 680 CD1 TYR A 46 4.254 -4.049 -0.196 1.00 0.00 C ATOM 681 CD2 TYR A 46 6.088 -5.250 0.721 1.00 0.00 C ATOM 682 CE1 TYR A 46 3.405 -5.055 0.169 1.00 0.00 C ATOM 683 CE2 TYR A 46 5.251 -6.263 1.093 1.00 0.00 C ATOM 684 CZ TYR A 46 3.905 -6.169 0.813 1.00 0.00 C ATOM 685 OH TYR A 46 3.062 -7.193 1.172 1.00 0.00 O ATOM 0 H TYR A 46 5.232 -0.736 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 46 6.406 -2.076 1.538 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.388 -2.783 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.589 -3.423 -0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.861 -3.178 -0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.142 -5.328 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.349 -4.979 -0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.641 -7.131 1.603 1.00 0.00 H new ATOM 0 HH TYR A 46 3.576 -7.900 1.615 1.00 0.00 H new ATOM 695 N LYS A 47 8.570 -1.051 1.300 1.00 0.00 N ATOM 696 CA LYS A 47 9.809 -0.328 1.303 1.00 0.00 C ATOM 697 C LYS A 47 10.885 -1.158 1.980 1.00 0.00 C ATOM 698 O LYS A 47 10.596 -1.908 2.929 1.00 0.00 O ATOM 699 CB LYS A 47 9.657 1.054 1.982 1.00 0.00 C ATOM 700 CG LYS A 47 9.153 1.012 3.419 1.00 0.00 C ATOM 701 CD LYS A 47 9.086 2.399 4.029 1.00 0.00 C ATOM 702 CE LYS A 47 8.655 2.342 5.486 1.00 0.00 C ATOM 703 NZ LYS A 47 9.672 1.661 6.344 1.00 0.00 N ATOM 0 H LYS A 47 8.435 -1.650 2.114 1.00 0.00 H new ATOM 0 HA LYS A 47 10.105 -0.144 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.623 1.558 1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.971 1.660 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.164 0.555 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.811 0.382 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.062 2.879 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.385 3.014 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.489 3.354 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.704 1.815 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.380 1.718 7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.751 0.663 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.594 2.128 6.226 1.00 0.00 H new ATOM 717 N PRO A 48 12.113 -1.081 1.495 1.00 0.00 N ATOM 718 CA PRO A 48 13.221 -1.824 2.061 1.00 0.00 C ATOM 719 C PRO A 48 13.683 -1.260 3.404 1.00 0.00 C ATOM 720 O PRO A 48 13.990 -0.076 3.546 1.00 0.00 O ATOM 721 CB PRO A 48 14.325 -1.685 1.007 1.00 0.00 C ATOM 722 CG PRO A 48 14.023 -0.405 0.307 1.00 0.00 C ATOM 723 CD PRO A 48 12.530 -0.261 0.330 1.00 0.00 C ATOM 0 HA PRO A 48 12.947 -2.857 2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 48 15.312 -1.660 1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.318 -2.526 0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.503 0.436 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.397 -0.423 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.230 0.781 0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.079 -0.621 -0.595 1.00 0.00 H new ATOM 731 N CYS A 49 13.630 -2.097 4.368 1.00 0.00 N ATOM 732 CA CYS A 49 14.184 -1.859 5.669 1.00 0.00 C ATOM 733 C CYS A 49 15.273 -2.892 5.831 1.00 0.00 C ATOM 734 O CYS A 49 15.292 -3.831 5.037 1.00 0.00 O ATOM 735 CB CYS A 49 13.094 -2.040 6.725 1.00 0.00 C ATOM 736 SG CYS A 49 11.720 -0.854 6.608 1.00 0.00 S ATOM 0 H CYS A 49 13.183 -3.010 4.281 1.00 0.00 H new ATOM 0 HA CYS A 49 14.578 -0.849 5.783 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.692 -3.050 6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.546 -1.955 7.713 1.00 0.00 H new ATOM 741 N PRO A 50 16.222 -2.733 6.759 1.00 0.00 N ATOM 742 CA PRO A 50 17.257 -3.750 6.998 1.00 0.00 C ATOM 743 C PRO A 50 16.628 -5.087 7.412 1.00 0.00 C ATOM 744 O PRO A 50 16.509 -6.007 6.559 1.00 0.00 O ATOM 745 CB PRO A 50 18.099 -3.162 8.149 1.00 0.00 C ATOM 746 CG PRO A 50 17.254 -2.087 8.744 1.00 0.00 C ATOM 747 CD PRO A 50 16.406 -1.557 7.628 1.00 0.00 C ATOM 748 OXT PRO A 50 16.162 -5.191 8.553 1.00 0.00 O ATOM 0 HA PRO A 50 17.849 -3.960 6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 50 18.343 -3.925 8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 50 19.044 -2.762 7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 50 16.635 -2.480 9.551 1.00 0.00 H new ATOM 0 HG3 PRO A 50 17.872 -1.298 9.172 1.00 0.00 H new ATOM 0 HD2 PRO A 50 15.454 -1.173 7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 50 16.898 -0.740 7.101 1.00 0.00 H new TER 756 PRO A 50