USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 403 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 6 CYS SG : rot -112:sc= 0.543 USER MOD Set 1.2: A 9 CYS SG : rot -152:sc= 0.836 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.811 (180deg=0.202) USER MOD Single : A 2 THR OG1 : rot -140:sc= 0.0133 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -130:sc= -1.28 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= -0.029 (180deg=-0.186) USER MOD Single : A 28 THR OG1 : rot 87:sc= 0.862 USER MOD Single : A 32 GLN : amide:sc= -0.0197 K(o=-0.02,f=-0.95) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 85:sc= -0.259 USER MOD Single : A 42 CYS SG : rot 9:sc= 0.843 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -107:sc= -0.499 (180deg=-1.03) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.0362 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.370 -1.542 0.737 1.00 0.00 N ATOM 2 CA MET A 1 1.966 -1.649 -0.589 1.00 0.00 C ATOM 3 C MET A 1 3.217 -2.521 -0.554 1.00 0.00 C ATOM 4 O MET A 1 3.813 -2.728 0.504 1.00 0.00 O ATOM 5 CB MET A 1 2.313 -0.260 -1.129 1.00 0.00 C ATOM 6 CG MET A 1 1.095 0.570 -1.499 1.00 0.00 C ATOM 7 SD MET A 1 0.425 1.482 -0.095 1.00 0.00 S ATOM 8 CE MET A 1 0.561 3.166 -0.688 1.00 0.00 C ATOM 0 H1 MET A 1 0.962 -0.593 0.859 1.00 0.00 H new ATOM 0 H2 MET A 1 0.621 -2.256 0.840 1.00 0.00 H new ATOM 0 H3 MET A 1 2.101 -1.700 1.460 1.00 0.00 H new ATOM 0 HA MET A 1 1.237 -2.117 -1.251 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.895 0.277 -0.380 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.949 -0.369 -2.008 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.364 1.272 -2.288 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.323 -0.085 -1.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.185 3.851 0.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.606 3.395 -0.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.025 3.279 -1.600 1.00 0.00 H new ATOM 18 N THR A 2 3.611 -3.031 -1.717 1.00 0.00 N ATOM 19 CA THR A 2 4.790 -3.881 -1.818 1.00 0.00 C ATOM 20 C THR A 2 6.036 -3.060 -2.130 1.00 0.00 C ATOM 21 O THR A 2 5.975 -2.080 -2.871 1.00 0.00 O ATOM 22 CB THR A 2 4.614 -4.958 -2.905 1.00 0.00 C ATOM 23 OG1 THR A 2 3.514 -5.814 -2.575 1.00 0.00 O ATOM 24 CG2 THR A 2 5.880 -5.787 -3.056 1.00 0.00 C ATOM 0 H THR A 2 3.130 -2.870 -2.602 1.00 0.00 H new ATOM 0 HA THR A 2 4.912 -4.367 -0.850 1.00 0.00 H new ATOM 0 HB THR A 2 4.412 -4.456 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.743 -6.741 -2.796 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.731 -6.541 -3.829 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.709 -5.137 -3.337 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.108 -6.278 -2.110 1.00 0.00 H new ATOM 32 N ALA A 3 7.165 -3.467 -1.559 1.00 0.00 N ATOM 33 CA ALA A 3 8.426 -2.769 -1.779 1.00 0.00 C ATOM 34 C ALA A 3 9.601 -3.742 -1.764 1.00 0.00 C ATOM 35 O ALA A 3 9.892 -4.363 -0.742 1.00 0.00 O ATOM 36 CB ALA A 3 8.621 -1.687 -0.727 1.00 0.00 C ATOM 0 H ALA A 3 7.232 -4.276 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 3 8.387 -2.301 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.566 -1.174 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.802 -0.970 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.634 -2.141 0.264 1.00 0.00 H new ATOM 42 N TYR A 4 10.272 -3.869 -2.904 1.00 0.00 N ATOM 43 CA TYR A 4 11.413 -4.768 -3.022 1.00 0.00 C ATOM 44 C TYR A 4 12.686 -3.993 -3.350 1.00 0.00 C ATOM 45 O TYR A 4 12.876 -3.539 -4.479 1.00 0.00 O ATOM 46 CB TYR A 4 11.150 -5.819 -4.102 1.00 0.00 C ATOM 47 CG TYR A 4 10.265 -6.954 -3.639 1.00 0.00 C ATOM 48 CD1 TYR A 4 10.768 -7.971 -2.837 1.00 0.00 C ATOM 49 CD2 TYR A 4 8.926 -7.010 -4.005 1.00 0.00 C ATOM 50 CE1 TYR A 4 9.962 -9.010 -2.413 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.113 -8.044 -3.584 1.00 0.00 C ATOM 52 CZ TYR A 4 8.636 -9.042 -2.788 1.00 0.00 C ATOM 53 OH TYR A 4 7.830 -10.075 -2.368 1.00 0.00 O ATOM 0 H TYR A 4 10.045 -3.361 -3.759 1.00 0.00 H new ATOM 0 HA TYR A 4 11.551 -5.268 -2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 4 10.687 -5.336 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.103 -6.227 -4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.806 -7.949 -2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.514 -6.231 -4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.369 -9.793 -1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.074 -8.071 -3.876 1.00 0.00 H new ATOM 0 HH TYR A 4 6.924 -9.947 -2.719 1.00 0.00 H new ATOM 63 N ARG A 5 13.554 -3.846 -2.355 1.00 0.00 N ATOM 64 CA ARG A 5 14.809 -3.126 -2.536 1.00 0.00 C ATOM 65 C ARG A 5 16.002 -4.029 -2.237 1.00 0.00 C ATOM 66 O ARG A 5 16.213 -4.438 -1.095 1.00 0.00 O ATOM 67 CB ARG A 5 14.849 -1.894 -1.631 1.00 0.00 C ATOM 68 CG ARG A 5 16.166 -1.137 -1.690 1.00 0.00 C ATOM 69 CD ARG A 5 16.985 -1.345 -0.426 1.00 0.00 C ATOM 70 NE ARG A 5 17.728 -0.144 -0.052 1.00 0.00 N ATOM 71 CZ ARG A 5 17.187 0.884 0.592 1.00 0.00 C ATOM 72 NH1 ARG A 5 15.905 0.858 0.931 1.00 0.00 N ATOM 73 NH2 ARG A 5 17.928 1.941 0.897 1.00 0.00 N ATOM 0 H ARG A 5 13.412 -4.216 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 5 14.869 -2.807 -3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.040 -1.220 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.663 -2.203 -0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.740 -1.469 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.970 -0.074 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.324 -1.631 0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.681 -2.170 -0.577 1.00 0.00 H new ATOM 0 HE ARG A 5 18.716 -0.092 -0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.332 0.047 0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.492 1.649 1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.914 1.965 0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.512 2.730 1.392 1.00 0.00 H new ATOM 87 N CYS A 6 16.778 -4.337 -3.271 1.00 0.00 N ATOM 88 CA CYS A 6 17.949 -5.193 -3.120 1.00 0.00 C ATOM 89 C CYS A 6 18.991 -4.883 -4.190 1.00 0.00 C ATOM 90 O CYS A 6 19.013 -5.488 -5.262 1.00 0.00 O ATOM 91 CB CYS A 6 17.544 -6.665 -3.196 1.00 0.00 C ATOM 92 SG CYS A 6 18.874 -7.819 -2.786 1.00 0.00 S ATOM 0 H CYS A 6 16.617 -4.007 -4.222 1.00 0.00 H new ATOM 0 HA CYS A 6 18.389 -4.995 -2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.708 -6.836 -2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.188 -6.881 -4.203 1.00 0.00 H new ATOM 0 HG CYS A 6 19.212 -8.487 -3.849 1.00 0.00 H new ATOM 98 N PRO A 7 19.874 -3.918 -3.895 1.00 0.00 N ATOM 99 CA PRO A 7 20.934 -3.505 -4.820 1.00 0.00 C ATOM 100 C PRO A 7 22.009 -4.574 -4.984 1.00 0.00 C ATOM 101 O PRO A 7 22.891 -4.456 -5.835 1.00 0.00 O ATOM 102 CB PRO A 7 21.518 -2.256 -4.155 1.00 0.00 C ATOM 103 CG PRO A 7 21.218 -2.423 -2.705 1.00 0.00 C ATOM 104 CD PRO A 7 19.906 -3.155 -2.636 1.00 0.00 C ATOM 0 HA PRO A 7 20.552 -3.330 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.591 -2.179 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 7 21.064 -1.348 -4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 7 22.006 -2.987 -2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.152 -1.456 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.857 -3.811 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.065 -2.466 -2.562 1.00 0.00 H new ATOM 112 N VAL A 8 21.930 -5.617 -4.164 1.00 0.00 N ATOM 113 CA VAL A 8 22.895 -6.708 -4.219 1.00 0.00 C ATOM 114 C VAL A 8 22.758 -7.498 -5.516 1.00 0.00 C ATOM 115 O VAL A 8 23.699 -8.162 -5.952 1.00 0.00 O ATOM 116 CB VAL A 8 22.727 -7.668 -3.026 1.00 0.00 C ATOM 117 CG1 VAL A 8 23.801 -8.745 -3.051 1.00 0.00 C ATOM 118 CG2 VAL A 8 22.764 -6.898 -1.715 1.00 0.00 C ATOM 0 H VAL A 8 21.207 -5.729 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 8 23.886 -6.256 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 8 21.756 -8.156 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 8 23.666 -9.413 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 8 23.723 -9.315 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 8 24.785 -8.279 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 8 22.644 -7.591 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 8 23.720 -6.382 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 8 21.955 -6.168 -1.699 1.00 0.00 H new ATOM 128 N CYS A 9 21.581 -7.421 -6.127 1.00 0.00 N ATOM 129 CA CYS A 9 21.320 -8.129 -7.375 1.00 0.00 C ATOM 130 C CYS A 9 21.013 -7.149 -8.503 1.00 0.00 C ATOM 131 O CYS A 9 21.607 -7.219 -9.579 1.00 0.00 O ATOM 132 CB CYS A 9 20.155 -9.104 -7.198 1.00 0.00 C ATOM 133 SG CYS A 9 20.035 -9.818 -5.542 1.00 0.00 S ATOM 0 H CYS A 9 20.793 -6.876 -5.779 1.00 0.00 H new ATOM 0 HA CYS A 9 22.216 -8.690 -7.640 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.224 -8.586 -7.427 1.00 0.00 H new ATOM 0 HB3 CYS A 9 20.257 -9.911 -7.923 1.00 0.00 H new ATOM 0 HG CYS A 9 19.478 -10.990 -5.614 1.00 0.00 H new ATOM 139 N ASP A 10 20.080 -6.237 -8.249 1.00 0.00 N ATOM 140 CA ASP A 10 19.693 -5.243 -9.243 1.00 0.00 C ATOM 141 C ASP A 10 19.111 -4.003 -8.572 1.00 0.00 C ATOM 142 O ASP A 10 18.708 -4.045 -7.410 1.00 0.00 O ATOM 143 CB ASP A 10 18.675 -5.835 -10.219 1.00 0.00 C ATOM 144 CG ASP A 10 17.355 -6.164 -9.550 1.00 0.00 C ATOM 145 OD1 ASP A 10 16.529 -5.242 -9.383 1.00 0.00 O ATOM 146 OD2 ASP A 10 17.148 -7.343 -9.192 1.00 0.00 O ATOM 0 H ASP A 10 19.578 -6.166 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 10 20.586 -4.951 -9.795 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.501 -5.129 -11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 10 19.088 -6.739 -10.666 1.00 0.00 H new ATOM 151 N TYR A 11 19.071 -2.900 -9.312 1.00 0.00 N ATOM 152 CA TYR A 11 18.542 -1.647 -8.788 1.00 0.00 C ATOM 153 C TYR A 11 17.219 -1.875 -8.063 1.00 0.00 C ATOM 154 O TYR A 11 16.528 -2.866 -8.302 1.00 0.00 O ATOM 155 CB TYR A 11 18.348 -0.637 -9.921 1.00 0.00 C ATOM 156 CG TYR A 11 19.625 0.056 -10.340 1.00 0.00 C ATOM 157 CD1 TYR A 11 20.282 0.925 -9.478 1.00 0.00 C ATOM 158 CD2 TYR A 11 20.174 -0.160 -11.598 1.00 0.00 C ATOM 159 CE1 TYR A 11 21.448 1.561 -9.857 1.00 0.00 C ATOM 160 CE2 TYR A 11 21.341 0.470 -11.985 1.00 0.00 C ATOM 161 CZ TYR A 11 21.974 1.330 -11.112 1.00 0.00 C ATOM 162 OH TYR A 11 23.136 1.960 -11.492 1.00 0.00 O ATOM 0 H TYR A 11 19.399 -2.849 -10.277 1.00 0.00 H new ATOM 0 HA TYR A 11 19.263 -1.248 -8.074 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.923 -1.149 -10.784 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.623 0.114 -9.607 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.874 1.106 -8.495 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.680 -0.832 -12.285 1.00 0.00 H new ATOM 0 HE1 TYR A 11 21.945 2.235 -9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 11 21.755 0.290 -12.966 1.00 0.00 H new ATOM 0 HH TYR A 11 23.372 1.689 -12.404 1.00 0.00 H new ATOM 172 N THR A 12 16.872 -0.949 -7.174 1.00 0.00 N ATOM 173 CA THR A 12 15.633 -1.047 -6.412 1.00 0.00 C ATOM 174 C THR A 12 14.607 -0.030 -6.898 1.00 0.00 C ATOM 175 O THR A 12 14.929 1.139 -7.111 1.00 0.00 O ATOM 176 CB THR A 12 15.880 -0.831 -4.907 1.00 0.00 C ATOM 177 OG1 THR A 12 14.634 -0.639 -4.229 1.00 0.00 O ATOM 178 CG2 THR A 12 16.781 0.372 -4.674 1.00 0.00 C ATOM 0 H THR A 12 17.432 -0.123 -6.964 1.00 0.00 H new ATOM 0 HA THR A 12 15.245 -2.054 -6.568 1.00 0.00 H new ATOM 0 HB THR A 12 16.375 -1.718 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.688 0.161 -3.666 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.941 0.505 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.739 0.210 -5.167 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.309 1.265 -5.084 1.00 0.00 H new ATOM 186 N TYR A 13 13.370 -0.482 -7.072 1.00 0.00 N ATOM 187 CA TYR A 13 12.296 0.389 -7.534 1.00 0.00 C ATOM 188 C TYR A 13 10.955 -0.039 -6.944 1.00 0.00 C ATOM 189 O TYR A 13 10.394 -1.065 -7.328 1.00 0.00 O ATOM 190 CB TYR A 13 12.221 0.373 -9.062 1.00 0.00 C ATOM 191 CG TYR A 13 13.516 0.764 -9.736 1.00 0.00 C ATOM 192 CD1 TYR A 13 13.982 2.072 -9.684 1.00 0.00 C ATOM 193 CD2 TYR A 13 14.275 -0.175 -10.424 1.00 0.00 C ATOM 194 CE1 TYR A 13 15.165 2.434 -10.299 1.00 0.00 C ATOM 195 CE2 TYR A 13 15.460 0.177 -11.040 1.00 0.00 C ATOM 196 CZ TYR A 13 15.901 1.483 -10.976 1.00 0.00 C ATOM 197 OH TYR A 13 17.080 1.839 -11.588 1.00 0.00 O ATOM 0 H TYR A 13 13.086 -1.447 -6.900 1.00 0.00 H new ATOM 0 HA TYR A 13 12.514 1.402 -7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.936 -0.626 -9.393 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.433 1.053 -9.386 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.410 2.819 -9.154 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.932 -1.198 -10.478 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.512 3.456 -10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.038 -0.566 -11.569 1.00 0.00 H new ATOM 0 HH TYR A 13 17.475 1.053 -12.019 1.00 0.00 H new ATOM 207 N ASP A 14 10.448 0.757 -6.008 1.00 0.00 N ATOM 208 CA ASP A 14 9.173 0.464 -5.365 1.00 0.00 C ATOM 209 C ASP A 14 8.015 0.656 -6.339 1.00 0.00 C ATOM 210 O ASP A 14 8.133 1.391 -7.319 1.00 0.00 O ATOM 211 CB ASP A 14 8.978 1.358 -4.139 1.00 0.00 C ATOM 212 CG ASP A 14 7.655 1.107 -3.443 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.501 0.029 -2.832 1.00 0.00 O ATOM 214 OD2 ASP A 14 6.774 1.989 -3.510 1.00 0.00 O ATOM 0 H ASP A 14 10.901 1.609 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 14 9.187 -0.578 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.793 1.188 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.033 2.403 -4.443 1.00 0.00 H new ATOM 219 N GLU A 15 6.899 -0.010 -6.063 1.00 0.00 N ATOM 220 CA GLU A 15 5.721 0.086 -6.918 1.00 0.00 C ATOM 221 C GLU A 15 5.309 1.543 -7.113 1.00 0.00 C ATOM 222 O GLU A 15 5.072 1.987 -8.236 1.00 0.00 O ATOM 223 CB GLU A 15 4.560 -0.707 -6.315 1.00 0.00 C ATOM 224 CG GLU A 15 3.790 -1.529 -7.335 1.00 0.00 C ATOM 225 CD GLU A 15 2.449 -0.914 -7.686 1.00 0.00 C ATOM 226 OE1 GLU A 15 1.470 -1.170 -6.953 1.00 0.00 O ATOM 227 OE2 GLU A 15 2.377 -0.179 -8.693 1.00 0.00 O ATOM 0 H GLU A 15 6.785 -0.622 -5.255 1.00 0.00 H new ATOM 0 HA GLU A 15 5.973 -0.336 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.947 -1.372 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.874 -0.016 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.388 -1.630 -8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.633 -2.534 -6.943 1.00 0.00 H new ATOM 234 N GLY A 16 5.226 2.281 -6.011 1.00 0.00 N ATOM 235 CA GLY A 16 4.842 3.679 -6.082 1.00 0.00 C ATOM 236 C GLY A 16 6.031 4.597 -6.285 1.00 0.00 C ATOM 237 O GLY A 16 5.918 5.814 -6.137 1.00 0.00 O ATOM 0 H GLY A 16 5.418 1.936 -5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.136 3.818 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.324 3.958 -5.164 1.00 0.00 H new ATOM 241 N LYS A 17 7.175 4.014 -6.624 1.00 0.00 N ATOM 242 CA LYS A 17 8.392 4.787 -6.848 1.00 0.00 C ATOM 243 C LYS A 17 8.281 5.619 -8.121 1.00 0.00 C ATOM 244 O LYS A 17 8.658 6.790 -8.144 1.00 0.00 O ATOM 245 CB LYS A 17 9.603 3.856 -6.938 1.00 0.00 C ATOM 246 CG LYS A 17 10.906 4.510 -6.514 1.00 0.00 C ATOM 247 CD LYS A 17 11.041 4.556 -5.001 1.00 0.00 C ATOM 248 CE LYS A 17 12.288 5.315 -4.575 1.00 0.00 C ATOM 249 NZ LYS A 17 13.524 4.722 -5.156 1.00 0.00 N ATOM 0 H LYS A 17 7.286 3.008 -6.750 1.00 0.00 H new ATOM 0 HA LYS A 17 8.524 5.463 -6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.425 2.981 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.702 3.500 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.745 3.959 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.953 5.522 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.160 5.031 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.080 3.540 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.204 6.356 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.361 5.313 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.359 5.156 -4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.533 3.697 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.545 4.898 -6.181 1.00 0.00 H new ATOM 263 N GLY A 18 7.759 5.007 -9.180 1.00 0.00 N ATOM 264 CA GLY A 18 7.607 5.707 -10.442 1.00 0.00 C ATOM 265 C GLY A 18 8.903 5.781 -11.224 1.00 0.00 C ATOM 266 O GLY A 18 9.483 6.855 -11.377 1.00 0.00 O ATOM 0 H GLY A 18 7.439 4.039 -9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.851 5.203 -11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.243 6.717 -10.252 1.00 0.00 H new ATOM 270 N ASP A 19 9.359 4.635 -11.719 1.00 0.00 N ATOM 271 CA ASP A 19 10.595 4.574 -12.490 1.00 0.00 C ATOM 272 C ASP A 19 10.338 4.015 -13.886 1.00 0.00 C ATOM 273 O ASP A 19 10.639 2.858 -14.183 1.00 0.00 O ATOM 274 CB ASP A 19 11.630 3.712 -11.765 1.00 0.00 C ATOM 275 CG ASP A 19 12.599 4.540 -10.943 1.00 0.00 C ATOM 276 OD1 ASP A 19 13.633 4.968 -11.499 1.00 0.00 O ATOM 277 OD2 ASP A 19 12.324 4.760 -9.745 1.00 0.00 O ATOM 0 H ASP A 19 8.891 3.736 -11.600 1.00 0.00 H new ATOM 0 HA ASP A 19 10.983 5.588 -12.590 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.117 3.005 -11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.187 3.126 -12.496 1.00 0.00 H new ATOM 282 N PRO A 20 9.768 4.854 -14.764 1.00 0.00 N ATOM 283 CA PRO A 20 9.458 4.465 -16.143 1.00 0.00 C ATOM 284 C PRO A 20 10.713 4.277 -16.988 1.00 0.00 C ATOM 285 O PRO A 20 10.643 3.801 -18.122 1.00 0.00 O ATOM 286 CB PRO A 20 8.633 5.644 -16.666 1.00 0.00 C ATOM 287 CG PRO A 20 9.062 6.804 -15.836 1.00 0.00 C ATOM 288 CD PRO A 20 9.384 6.246 -14.478 1.00 0.00 C ATOM 0 HA PRO A 20 8.938 3.508 -16.190 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.824 5.822 -17.724 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.564 5.456 -16.562 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.932 7.295 -16.272 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.272 7.552 -15.773 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.194 6.796 -13.999 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.525 6.297 -13.809 1.00 0.00 H new ATOM 296 N ARG A 21 11.859 4.653 -16.430 1.00 0.00 N ATOM 297 CA ARG A 21 13.129 4.525 -17.134 1.00 0.00 C ATOM 298 C ARG A 21 13.541 3.061 -17.252 1.00 0.00 C ATOM 299 O ARG A 21 14.268 2.683 -18.170 1.00 0.00 O ATOM 300 CB ARG A 21 14.220 5.316 -16.409 1.00 0.00 C ATOM 301 CG ARG A 21 14.254 6.789 -16.781 1.00 0.00 C ATOM 302 CD ARG A 21 13.124 7.558 -16.115 1.00 0.00 C ATOM 303 NE ARG A 21 13.409 8.988 -16.033 1.00 0.00 N ATOM 304 CZ ARG A 21 14.266 9.518 -15.166 1.00 0.00 C ATOM 305 NH1 ARG A 21 14.918 8.740 -14.313 1.00 0.00 N ATOM 306 NH2 ARG A 21 14.472 10.829 -15.153 1.00 0.00 N ATOM 0 H ARG A 21 11.934 5.049 -15.493 1.00 0.00 H new ATOM 0 HA ARG A 21 13.001 4.930 -18.138 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.069 5.225 -15.333 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.189 4.871 -16.633 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.211 7.218 -16.485 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.179 6.894 -17.863 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.201 7.404 -16.675 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.958 7.163 -15.113 1.00 0.00 H new ATOM 0 HE ARG A 21 12.924 9.614 -16.676 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.763 7.732 -14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.575 9.150 -13.649 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.973 11.430 -15.808 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.130 11.235 -14.488 1.00 0.00 H new ATOM 320 N GLU A 22 13.071 2.242 -16.317 1.00 0.00 N ATOM 321 CA GLU A 22 13.392 0.819 -16.316 1.00 0.00 C ATOM 322 C GLU A 22 12.283 0.011 -16.984 1.00 0.00 C ATOM 323 O GLU A 22 12.120 -1.178 -16.717 1.00 0.00 O ATOM 324 CB GLU A 22 13.608 0.323 -14.885 1.00 0.00 C ATOM 325 CG GLU A 22 14.844 -0.545 -14.722 1.00 0.00 C ATOM 326 CD GLU A 22 14.736 -1.497 -13.546 1.00 0.00 C ATOM 327 OE1 GLU A 22 13.663 -1.536 -12.909 1.00 0.00 O ATOM 328 OE2 GLU A 22 15.727 -2.204 -13.263 1.00 0.00 O ATOM 0 H GLU A 22 12.467 2.539 -15.551 1.00 0.00 H new ATOM 0 HA GLU A 22 14.312 0.680 -16.884 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.688 1.183 -14.220 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.732 -0.244 -14.570 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.004 -1.118 -15.635 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.717 0.094 -14.589 1.00 0.00 H new ATOM 335 N GLY A 23 11.523 0.668 -17.856 1.00 0.00 N ATOM 336 CA GLY A 23 10.440 -0.004 -18.549 1.00 0.00 C ATOM 337 C GLY A 23 9.259 -0.287 -17.642 1.00 0.00 C ATOM 338 O GLY A 23 8.365 -1.056 -17.996 1.00 0.00 O ATOM 0 H GLY A 23 11.638 1.653 -18.094 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.112 0.611 -19.387 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.806 -0.942 -18.967 1.00 0.00 H new ATOM 342 N PHE A 24 9.255 0.334 -16.467 1.00 0.00 N ATOM 343 CA PHE A 24 8.176 0.142 -15.504 1.00 0.00 C ATOM 344 C PHE A 24 7.676 1.483 -14.974 1.00 0.00 C ATOM 345 O PHE A 24 8.096 1.957 -13.918 1.00 0.00 O ATOM 346 CB PHE A 24 8.650 -0.734 -14.343 1.00 0.00 C ATOM 347 CG PHE A 24 9.413 -1.951 -14.782 1.00 0.00 C ATOM 348 CD1 PHE A 24 8.821 -2.896 -15.604 1.00 0.00 C ATOM 349 CD2 PHE A 24 10.721 -2.150 -14.372 1.00 0.00 C ATOM 350 CE1 PHE A 24 9.520 -4.017 -16.011 1.00 0.00 C ATOM 351 CE2 PHE A 24 11.426 -3.269 -14.776 1.00 0.00 C ATOM 352 CZ PHE A 24 10.824 -4.204 -15.595 1.00 0.00 C ATOM 0 H PHE A 24 9.987 0.974 -16.159 1.00 0.00 H new ATOM 0 HA PHE A 24 7.352 -0.358 -16.013 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.281 -0.138 -13.683 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.785 -1.049 -13.759 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.801 -2.755 -15.931 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.196 -1.423 -13.730 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.047 -4.745 -16.653 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.446 -3.412 -14.451 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.372 -5.080 -15.910 1.00 0.00 H new ATOM 362 N PRO A 25 6.758 2.110 -15.724 1.00 0.00 N ATOM 363 CA PRO A 25 6.180 3.404 -15.350 1.00 0.00 C ATOM 364 C PRO A 25 5.262 3.300 -14.137 1.00 0.00 C ATOM 365 O PRO A 25 5.056 2.216 -13.594 1.00 0.00 O ATOM 366 CB PRO A 25 5.382 3.808 -16.592 1.00 0.00 C ATOM 367 CG PRO A 25 5.053 2.521 -17.267 1.00 0.00 C ATOM 368 CD PRO A 25 6.212 1.603 -16.994 1.00 0.00 C ATOM 0 HA PRO A 25 6.946 4.126 -15.065 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.479 4.355 -16.321 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.966 4.459 -17.243 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.124 2.103 -16.879 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.914 2.666 -18.338 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.891 0.565 -16.907 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.952 1.642 -17.793 1.00 0.00 H new ATOM 376 N ALA A 26 4.712 4.436 -13.719 1.00 0.00 N ATOM 377 CA ALA A 26 3.813 4.472 -12.572 1.00 0.00 C ATOM 378 C ALA A 26 2.699 3.440 -12.714 1.00 0.00 C ATOM 379 O ALA A 26 2.140 3.261 -13.796 1.00 0.00 O ATOM 380 CB ALA A 26 3.226 5.865 -12.405 1.00 0.00 C ATOM 0 H ALA A 26 4.873 5.343 -14.157 1.00 0.00 H new ATOM 0 HA ALA A 26 4.391 4.224 -11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.557 5.877 -11.545 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.031 6.583 -12.248 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.669 6.135 -13.302 1.00 0.00 H new ATOM 386 N GLY A 27 2.382 2.762 -11.615 1.00 0.00 N ATOM 387 CA GLY A 27 1.337 1.755 -11.640 1.00 0.00 C ATOM 388 C GLY A 27 1.881 0.361 -11.880 1.00 0.00 C ATOM 389 O GLY A 27 1.337 -0.622 -11.376 1.00 0.00 O ATOM 0 H GLY A 27 2.830 2.892 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.797 1.773 -10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.618 2.001 -12.422 1.00 0.00 H new ATOM 393 N THR A 28 2.957 0.272 -12.655 1.00 0.00 N ATOM 394 CA THR A 28 3.573 -1.012 -12.964 1.00 0.00 C ATOM 395 C THR A 28 3.896 -1.787 -11.692 1.00 0.00 C ATOM 396 O THR A 28 4.801 -1.420 -10.943 1.00 0.00 O ATOM 397 CB THR A 28 4.864 -0.833 -13.785 1.00 0.00 C ATOM 398 OG1 THR A 28 4.591 -0.079 -14.971 1.00 0.00 O ATOM 399 CG2 THR A 28 5.458 -2.182 -14.161 1.00 0.00 C ATOM 0 H THR A 28 3.420 1.075 -13.081 1.00 0.00 H new ATOM 0 HA THR A 28 2.851 -1.575 -13.555 1.00 0.00 H new ATOM 0 HB THR A 28 5.586 -0.294 -13.171 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.668 0.878 -14.775 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.369 -2.030 -14.740 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.693 -2.741 -13.255 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.738 -2.743 -14.757 1.00 0.00 H new ATOM 407 N ARG A 29 3.150 -2.861 -11.454 1.00 0.00 N ATOM 408 CA ARG A 29 3.357 -3.688 -10.271 1.00 0.00 C ATOM 409 C ARG A 29 4.678 -4.447 -10.363 1.00 0.00 C ATOM 410 O ARG A 29 5.146 -4.768 -11.456 1.00 0.00 O ATOM 411 CB ARG A 29 2.200 -4.675 -10.104 1.00 0.00 C ATOM 412 CG ARG A 29 0.829 -4.029 -10.214 1.00 0.00 C ATOM 413 CD ARG A 29 0.568 -3.073 -9.061 1.00 0.00 C ATOM 414 NE ARG A 29 -0.848 -3.014 -8.709 1.00 0.00 N ATOM 415 CZ ARG A 29 -1.772 -2.441 -9.473 1.00 0.00 C ATOM 416 NH1 ARG A 29 -1.430 -1.883 -10.626 1.00 0.00 N ATOM 417 NH2 ARG A 29 -3.040 -2.427 -9.084 1.00 0.00 N ATOM 0 H ARG A 29 2.397 -3.179 -12.064 1.00 0.00 H new ATOM 0 HA ARG A 29 3.394 -3.032 -9.401 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.287 -5.455 -10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.286 -5.162 -9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.755 -3.490 -11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.061 -4.803 -10.227 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.145 -3.388 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.916 -2.076 -9.331 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.144 -3.436 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.456 -1.893 -10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.141 -1.444 -11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.306 -2.856 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.749 -1.987 -9.671 1.00 0.00 H new ATOM 431 N TRP A 30 5.272 -4.731 -9.210 1.00 0.00 N ATOM 432 CA TRP A 30 6.539 -5.452 -9.161 1.00 0.00 C ATOM 433 C TRP A 30 6.429 -6.796 -9.872 1.00 0.00 C ATOM 434 O TRP A 30 7.412 -7.308 -10.408 1.00 0.00 O ATOM 435 CB TRP A 30 6.973 -5.663 -7.709 1.00 0.00 C ATOM 436 CG TRP A 30 5.910 -6.287 -6.856 1.00 0.00 C ATOM 437 CD1 TRP A 30 4.961 -5.634 -6.123 1.00 0.00 C ATOM 438 CD2 TRP A 30 5.690 -7.686 -6.647 1.00 0.00 C ATOM 439 NE1 TRP A 30 4.164 -6.544 -5.470 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.590 -7.809 -5.776 1.00 0.00 C ATOM 441 CE3 TRP A 30 6.314 -8.847 -7.112 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.104 -9.046 -5.362 1.00 0.00 C ATOM 443 CZ3 TRP A 30 5.831 -10.074 -6.700 1.00 0.00 C ATOM 444 CH2 TRP A 30 4.734 -10.166 -5.833 1.00 0.00 C ATOM 0 H TRP A 30 4.897 -4.473 -8.297 1.00 0.00 H new ATOM 0 HA TRP A 30 7.290 -4.852 -9.674 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.861 -6.295 -7.691 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.257 -4.702 -7.279 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.853 -4.561 -6.065 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.382 -6.314 -4.857 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.159 -8.786 -7.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.260 -9.119 -4.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 6.307 -10.977 -7.052 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.379 -11.140 -5.530 1.00 0.00 H new ATOM 455 N ASP A 31 5.227 -7.363 -9.873 1.00 0.00 N ATOM 456 CA ASP A 31 4.989 -8.648 -10.520 1.00 0.00 C ATOM 457 C ASP A 31 5.104 -8.523 -12.036 1.00 0.00 C ATOM 458 O ASP A 31 5.268 -9.520 -12.739 1.00 0.00 O ATOM 459 CB ASP A 31 3.606 -9.184 -10.144 1.00 0.00 C ATOM 460 CG ASP A 31 2.491 -8.234 -10.536 1.00 0.00 C ATOM 461 OD1 ASP A 31 2.267 -8.052 -11.751 1.00 0.00 O ATOM 462 OD2 ASP A 31 1.843 -7.674 -9.628 1.00 0.00 O ATOM 0 H ASP A 31 4.403 -6.953 -9.433 1.00 0.00 H new ATOM 0 HA ASP A 31 5.749 -9.348 -10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.448 -10.146 -10.631 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.568 -9.361 -9.069 1.00 0.00 H new ATOM 467 N GLN A 32 5.017 -7.293 -12.531 1.00 0.00 N ATOM 468 CA GLN A 32 5.111 -7.039 -13.964 1.00 0.00 C ATOM 469 C GLN A 32 6.482 -7.437 -14.500 1.00 0.00 C ATOM 470 O GLN A 32 6.597 -7.964 -15.607 1.00 0.00 O ATOM 471 CB GLN A 32 4.844 -5.562 -14.260 1.00 0.00 C ATOM 472 CG GLN A 32 3.474 -5.088 -13.803 1.00 0.00 C ATOM 473 CD GLN A 32 2.357 -5.574 -14.705 1.00 0.00 C ATOM 474 OE1 GLN A 32 2.536 -5.709 -15.916 1.00 0.00 O ATOM 475 NE2 GLN A 32 1.196 -5.842 -14.119 1.00 0.00 N ATOM 0 H GLN A 32 4.882 -6.457 -11.962 1.00 0.00 H new ATOM 0 HA GLN A 32 4.356 -7.645 -14.464 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.609 -4.958 -13.773 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.939 -5.392 -15.332 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.293 -5.438 -12.787 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.463 -3.999 -13.772 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.092 -5.716 -13.112 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.408 -6.174 -14.676 1.00 0.00 H new ATOM 484 N ILE A 33 7.518 -7.182 -13.708 1.00 0.00 N ATOM 485 CA ILE A 33 8.881 -7.515 -14.102 1.00 0.00 C ATOM 486 C ILE A 33 9.046 -9.019 -14.294 1.00 0.00 C ATOM 487 O ILE A 33 8.625 -9.825 -13.464 1.00 0.00 O ATOM 488 CB ILE A 33 9.904 -7.027 -13.060 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.755 -5.521 -12.834 1.00 0.00 C ATOM 490 CG2 ILE A 33 11.318 -7.362 -13.509 1.00 0.00 C ATOM 491 CD1 ILE A 33 9.315 -5.162 -11.431 1.00 0.00 C ATOM 0 H ILE A 33 7.439 -6.746 -12.789 1.00 0.00 H new ATOM 0 HA ILE A 33 9.068 -7.007 -15.048 1.00 0.00 H new ATOM 0 HB ILE A 33 9.712 -7.538 -12.117 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.708 -5.034 -13.043 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.031 -5.125 -13.546 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.030 -7.011 -12.762 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.417 -8.441 -13.625 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.522 -6.874 -14.462 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.230 -4.079 -11.342 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.348 -5.620 -11.225 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.050 -5.528 -10.714 1.00 0.00 H new ATOM 503 N PRO A 34 9.674 -9.407 -15.414 1.00 0.00 N ATOM 504 CA PRO A 34 9.911 -10.816 -15.740 1.00 0.00 C ATOM 505 C PRO A 34 10.945 -11.458 -14.821 1.00 0.00 C ATOM 506 O PRO A 34 12.021 -10.903 -14.598 1.00 0.00 O ATOM 507 CB PRO A 34 10.434 -10.764 -17.178 1.00 0.00 C ATOM 508 CG PRO A 34 11.030 -9.406 -17.316 1.00 0.00 C ATOM 509 CD PRO A 34 10.201 -8.500 -16.447 1.00 0.00 C ATOM 0 HA PRO A 34 9.011 -11.419 -15.620 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.176 -11.542 -17.358 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.630 -10.918 -17.897 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.073 -9.403 -16.999 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.011 -9.075 -18.354 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.801 -7.701 -16.012 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.399 -8.025 -17.012 1.00 0.00 H new ATOM 517 N ASP A 35 10.611 -12.629 -14.290 1.00 0.00 N ATOM 518 CA ASP A 35 11.512 -13.347 -13.395 1.00 0.00 C ATOM 519 C ASP A 35 12.764 -13.804 -14.137 1.00 0.00 C ATOM 520 O ASP A 35 13.756 -14.192 -13.520 1.00 0.00 O ATOM 521 CB ASP A 35 10.800 -14.553 -12.780 1.00 0.00 C ATOM 522 CG ASP A 35 9.790 -14.152 -11.723 1.00 0.00 C ATOM 523 OD1 ASP A 35 9.811 -12.978 -11.298 1.00 0.00 O ATOM 524 OD2 ASP A 35 8.980 -15.012 -11.319 1.00 0.00 O ATOM 0 H ASP A 35 9.724 -13.101 -14.463 1.00 0.00 H new ATOM 0 HA ASP A 35 11.812 -12.666 -12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.295 -15.113 -13.567 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.539 -15.221 -12.337 1.00 0.00 H new ATOM 529 N ASP A 36 12.710 -13.757 -15.463 1.00 0.00 N ATOM 530 CA ASP A 36 13.840 -14.165 -16.289 1.00 0.00 C ATOM 531 C ASP A 36 14.692 -12.962 -16.680 1.00 0.00 C ATOM 532 O ASP A 36 15.371 -12.977 -17.706 1.00 0.00 O ATOM 533 CB ASP A 36 13.347 -14.886 -17.545 1.00 0.00 C ATOM 534 CG ASP A 36 12.755 -16.247 -17.237 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.954 -16.738 -16.105 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.094 -16.823 -18.127 1.00 0.00 O ATOM 0 H ASP A 36 11.896 -13.440 -15.989 1.00 0.00 H new ATOM 0 HA ASP A 36 14.456 -14.848 -15.705 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.597 -14.271 -18.043 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.177 -15.003 -18.242 1.00 0.00 H new ATOM 541 N TRP A 37 14.649 -11.921 -15.856 1.00 0.00 N ATOM 542 CA TRP A 37 15.415 -10.708 -16.117 1.00 0.00 C ATOM 543 C TRP A 37 16.913 -10.989 -16.063 1.00 0.00 C ATOM 544 O TRP A 37 17.367 -11.841 -15.299 1.00 0.00 O ATOM 545 CB TRP A 37 15.051 -9.622 -15.103 1.00 0.00 C ATOM 546 CG TRP A 37 15.680 -8.295 -15.402 1.00 0.00 C ATOM 547 CD1 TRP A 37 16.952 -7.904 -15.095 1.00 0.00 C ATOM 548 CD2 TRP A 37 15.066 -7.185 -16.065 1.00 0.00 C ATOM 549 NE1 TRP A 37 17.165 -6.617 -15.527 1.00 0.00 N ATOM 550 CE2 TRP A 37 16.024 -6.154 -16.126 1.00 0.00 C ATOM 551 CE3 TRP A 37 13.800 -6.962 -16.614 1.00 0.00 C ATOM 552 CZ2 TRP A 37 15.753 -4.921 -16.714 1.00 0.00 C ATOM 553 CZ3 TRP A 37 13.534 -5.738 -17.197 1.00 0.00 C ATOM 554 CH2 TRP A 37 14.506 -4.730 -17.244 1.00 0.00 C ATOM 0 H TRP A 37 14.092 -11.893 -15.002 1.00 0.00 H new ATOM 0 HA TRP A 37 15.165 -10.358 -17.119 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.968 -9.505 -15.080 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.358 -9.946 -14.109 1.00 0.00 H new ATOM 0 HD1 TRP A 37 17.683 -8.516 -14.587 1.00 0.00 H new ATOM 0 HE1 TRP A 37 18.033 -6.092 -15.419 1.00 0.00 H new ATOM 0 HE3 TRP A 37 13.044 -7.732 -16.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 16.501 -4.143 -16.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.559 -5.555 -17.624 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.266 -3.784 -17.707 1.00 0.00 H new ATOM 565 N CYS A 38 17.675 -10.268 -16.878 1.00 0.00 N ATOM 566 CA CYS A 38 19.123 -10.441 -16.923 1.00 0.00 C ATOM 567 C CYS A 38 19.833 -9.238 -16.311 1.00 0.00 C ATOM 568 O CYS A 38 19.649 -8.104 -16.754 1.00 0.00 O ATOM 569 CB CYS A 38 19.588 -10.643 -18.366 1.00 0.00 C ATOM 570 SG CYS A 38 19.252 -12.293 -19.025 1.00 0.00 S ATOM 0 H CYS A 38 17.315 -9.559 -17.516 1.00 0.00 H new ATOM 0 HA CYS A 38 19.377 -11.326 -16.339 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.100 -9.903 -19.001 1.00 0.00 H new ATOM 0 HB3 CYS A 38 20.660 -10.453 -18.421 1.00 0.00 H new ATOM 0 HG CYS A 38 19.679 -12.366 -20.251 1.00 0.00 H new ATOM 576 N CYS A 39 20.644 -9.493 -15.290 1.00 0.00 N ATOM 577 CA CYS A 39 21.381 -8.431 -14.615 1.00 0.00 C ATOM 578 C CYS A 39 22.825 -8.848 -14.359 1.00 0.00 C ATOM 579 O CYS A 39 23.167 -10.031 -14.373 1.00 0.00 O ATOM 580 CB CYS A 39 20.699 -8.069 -13.294 1.00 0.00 C ATOM 581 SG CYS A 39 19.750 -6.531 -13.349 1.00 0.00 S ATOM 0 H CYS A 39 20.808 -10.426 -14.912 1.00 0.00 H new ATOM 0 HA CYS A 39 21.386 -7.556 -15.265 1.00 0.00 H new ATOM 0 HB2 CYS A 39 20.034 -8.883 -13.006 1.00 0.00 H new ATOM 0 HB3 CYS A 39 21.458 -7.987 -12.516 1.00 0.00 H new ATOM 0 HG CYS A 39 18.558 -6.773 -13.808 1.00 0.00 H new ATOM 587 N PRO A 40 23.695 -7.856 -14.120 1.00 0.00 N ATOM 588 CA PRO A 40 25.117 -8.096 -13.857 1.00 0.00 C ATOM 589 C PRO A 40 25.353 -8.760 -12.505 1.00 0.00 C ATOM 590 O PRO A 40 26.067 -9.758 -12.409 1.00 0.00 O ATOM 591 CB PRO A 40 25.723 -6.690 -13.875 1.00 0.00 C ATOM 592 CG PRO A 40 24.594 -5.786 -13.517 1.00 0.00 C ATOM 593 CD PRO A 40 23.357 -6.423 -14.087 1.00 0.00 C ATOM 0 HA PRO A 40 25.557 -8.775 -14.587 1.00 0.00 H new ATOM 0 HB2 PRO A 40 26.542 -6.603 -13.161 1.00 0.00 H new ATOM 0 HB3 PRO A 40 26.129 -6.446 -14.857 1.00 0.00 H new ATOM 0 HG2 PRO A 40 24.512 -5.673 -12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.746 -4.789 -13.931 1.00 0.00 H new ATOM 0 HD2 PRO A 40 22.483 -6.231 -13.465 1.00 0.00 H new ATOM 0 HD3 PRO A 40 23.130 -6.041 -15.082 1.00 0.00 H new ATOM 601 N ASP A 41 24.747 -8.201 -11.463 1.00 0.00 N ATOM 602 CA ASP A 41 24.890 -8.740 -10.116 1.00 0.00 C ATOM 603 C ASP A 41 23.935 -9.908 -9.893 1.00 0.00 C ATOM 604 O ASP A 41 24.348 -10.991 -9.478 1.00 0.00 O ATOM 605 CB ASP A 41 24.632 -7.648 -9.076 1.00 0.00 C ATOM 606 CG ASP A 41 25.627 -7.690 -7.933 1.00 0.00 C ATOM 607 OD1 ASP A 41 25.828 -8.782 -7.362 1.00 0.00 O ATOM 608 OD2 ASP A 41 26.203 -6.630 -7.609 1.00 0.00 O ATOM 0 H ASP A 41 24.152 -7.375 -11.526 1.00 0.00 H new ATOM 0 HA ASP A 41 25.912 -9.103 -10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.679 -6.672 -9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.623 -7.759 -8.680 1.00 0.00 H new ATOM 613 N CYS A 42 22.656 -9.680 -10.171 1.00 0.00 N ATOM 614 CA CYS A 42 21.640 -10.713 -10.000 1.00 0.00 C ATOM 615 C CYS A 42 22.012 -11.974 -10.774 1.00 0.00 C ATOM 616 O CYS A 42 21.548 -13.069 -10.456 1.00 0.00 O ATOM 617 CB CYS A 42 20.277 -10.199 -10.464 1.00 0.00 C ATOM 618 SG CYS A 42 18.889 -11.257 -9.990 1.00 0.00 S ATOM 0 H CYS A 42 22.298 -8.789 -10.516 1.00 0.00 H new ATOM 0 HA CYS A 42 21.584 -10.962 -8.940 1.00 0.00 H new ATOM 0 HB2 CYS A 42 20.117 -9.202 -10.053 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.289 -10.098 -11.549 1.00 0.00 H new ATOM 0 HG CYS A 42 19.305 -12.178 -9.172 1.00 0.00 H new ATOM 624 N SER A 43 22.850 -11.812 -11.792 1.00 0.00 N ATOM 625 CA SER A 43 23.280 -12.936 -12.615 1.00 0.00 C ATOM 626 C SER A 43 23.785 -14.084 -11.746 1.00 0.00 C ATOM 627 O SER A 43 23.665 -15.254 -12.110 1.00 0.00 O ATOM 628 CB SER A 43 24.377 -12.495 -13.586 1.00 0.00 C ATOM 629 OG SER A 43 25.349 -13.513 -13.754 1.00 0.00 O ATOM 0 H SER A 43 23.245 -10.913 -12.067 1.00 0.00 H new ATOM 0 HA SER A 43 22.420 -13.286 -13.185 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.935 -12.247 -14.551 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.855 -11.589 -13.213 1.00 0.00 H new ATOM 0 HG SER A 43 26.038 -13.207 -14.380 1.00 0.00 H new ATOM 635 N VAL A 44 24.352 -13.740 -10.594 1.00 0.00 N ATOM 636 CA VAL A 44 24.875 -14.740 -9.671 1.00 0.00 C ATOM 637 C VAL A 44 24.054 -14.787 -8.387 1.00 0.00 C ATOM 638 O VAL A 44 24.103 -15.765 -7.642 1.00 0.00 O ATOM 639 CB VAL A 44 26.347 -14.460 -9.315 1.00 0.00 C ATOM 640 CG1 VAL A 44 26.930 -15.610 -8.508 1.00 0.00 C ATOM 641 CG2 VAL A 44 27.163 -14.216 -10.576 1.00 0.00 C ATOM 0 H VAL A 44 24.461 -12.776 -10.278 1.00 0.00 H new ATOM 0 HA VAL A 44 24.808 -15.703 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 44 26.389 -13.560 -8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 44 27.971 -15.394 -8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 44 26.361 -15.733 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.877 -16.528 -9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 44 28.201 -14.020 -10.306 1.00 0.00 H new ATOM 0 HG22 VAL A 44 27.115 -15.097 -11.216 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.759 -13.356 -11.110 1.00 0.00 H new ATOM 651 N ARG A 45 23.298 -13.723 -8.136 1.00 0.00 N ATOM 652 CA ARG A 45 22.465 -13.642 -6.942 1.00 0.00 C ATOM 653 C ARG A 45 20.997 -13.870 -7.287 1.00 0.00 C ATOM 654 O ARG A 45 20.429 -13.164 -8.120 1.00 0.00 O ATOM 655 CB ARG A 45 22.637 -12.280 -6.267 1.00 0.00 C ATOM 656 CG ARG A 45 23.969 -12.117 -5.554 1.00 0.00 C ATOM 657 CD ARG A 45 25.097 -11.843 -6.536 1.00 0.00 C ATOM 658 NE ARG A 45 26.321 -11.421 -5.861 1.00 0.00 N ATOM 659 CZ ARG A 45 27.469 -11.199 -6.491 1.00 0.00 C ATOM 660 NH1 ARG A 45 27.549 -11.356 -7.805 1.00 0.00 N ATOM 661 NH2 ARG A 45 28.540 -10.817 -5.807 1.00 0.00 N ATOM 0 H ARG A 45 23.245 -12.905 -8.743 1.00 0.00 H new ATOM 0 HA ARG A 45 22.783 -14.424 -6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 45 22.539 -11.497 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.830 -12.136 -5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.902 -11.298 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.191 -13.020 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 45 25.296 -12.742 -7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 45 24.786 -11.070 -7.239 1.00 0.00 H new ATOM 0 HE ARG A 45 26.293 -11.289 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 45 26.728 -11.648 -8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 45 28.432 -11.185 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 45 28.482 -10.694 -4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 45 29.421 -10.647 -6.292 1.00 0.00 H new ATOM 675 N GLU A 46 20.389 -14.860 -6.641 1.00 0.00 N ATOM 676 CA GLU A 46 18.987 -15.181 -6.881 1.00 0.00 C ATOM 677 C GLU A 46 18.113 -13.937 -6.747 1.00 0.00 C ATOM 678 O GLU A 46 18.501 -12.957 -6.110 1.00 0.00 O ATOM 679 CB GLU A 46 18.512 -16.258 -5.903 1.00 0.00 C ATOM 680 CG GLU A 46 18.848 -17.672 -6.346 1.00 0.00 C ATOM 681 CD GLU A 46 17.832 -18.235 -7.320 1.00 0.00 C ATOM 682 OE1 GLU A 46 17.263 -17.448 -8.105 1.00 0.00 O ATOM 683 OE2 GLU A 46 17.605 -19.463 -7.297 1.00 0.00 O ATOM 0 H GLU A 46 20.845 -15.453 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 46 18.897 -15.560 -7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.962 -16.075 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.433 -16.172 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.834 -17.678 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.904 -18.319 -5.471 1.00 0.00 H new ATOM 690 N LYS A 47 16.932 -13.982 -7.353 1.00 0.00 N ATOM 691 CA LYS A 47 16.001 -12.861 -7.303 1.00 0.00 C ATOM 692 C LYS A 47 15.247 -12.839 -5.977 1.00 0.00 C ATOM 693 O LYS A 47 14.810 -11.784 -5.517 1.00 0.00 O ATOM 694 CB LYS A 47 15.009 -12.943 -8.465 1.00 0.00 C ATOM 695 CG LYS A 47 14.096 -11.733 -8.571 1.00 0.00 C ATOM 696 CD LYS A 47 14.568 -10.771 -9.648 1.00 0.00 C ATOM 697 CE LYS A 47 13.400 -10.042 -10.295 1.00 0.00 C ATOM 698 NZ LYS A 47 12.945 -10.720 -11.540 1.00 0.00 N ATOM 0 H LYS A 47 16.596 -14.784 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 47 16.576 -11.939 -7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.563 -13.053 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.399 -13.839 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.081 -12.061 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.061 -11.217 -7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.255 -10.045 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.123 -11.319 -10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.572 -9.985 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.694 -9.018 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.237 -10.161 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.371 -11.667 -11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.909 -10.806 -11.529 1.00 0.00 H new ATOM 712 N VAL A 48 15.099 -14.010 -5.366 1.00 0.00 N ATOM 713 CA VAL A 48 14.400 -14.125 -4.091 1.00 0.00 C ATOM 714 C VAL A 48 15.255 -13.592 -2.946 1.00 0.00 C ATOM 715 O VAL A 48 14.784 -13.460 -1.816 1.00 0.00 O ATOM 716 CB VAL A 48 14.014 -15.585 -3.792 1.00 0.00 C ATOM 717 CG1 VAL A 48 15.256 -16.426 -3.541 1.00 0.00 C ATOM 718 CG2 VAL A 48 13.065 -15.652 -2.605 1.00 0.00 C ATOM 0 H VAL A 48 15.454 -14.893 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 48 13.492 -13.527 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 48 13.500 -15.992 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 48 14.963 -17.455 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.895 -16.404 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.802 -16.023 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.802 -16.691 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 48 13.551 -15.227 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.161 -15.086 -2.829 1.00 0.00 H new ATOM 728 N ASP A 49 16.512 -13.287 -3.246 1.00 0.00 N ATOM 729 CA ASP A 49 17.433 -12.766 -2.242 1.00 0.00 C ATOM 730 C ASP A 49 16.952 -11.420 -1.710 1.00 0.00 C ATOM 731 O ASP A 49 17.373 -10.977 -0.641 1.00 0.00 O ATOM 732 CB ASP A 49 18.837 -12.623 -2.832 1.00 0.00 C ATOM 733 CG ASP A 49 19.916 -12.630 -1.767 1.00 0.00 C ATOM 734 OD1 ASP A 49 19.574 -12.789 -0.577 1.00 0.00 O ATOM 735 OD2 ASP A 49 21.102 -12.475 -2.124 1.00 0.00 O ATOM 0 H ASP A 49 16.917 -13.391 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 49 17.466 -13.473 -1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.018 -13.437 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 49 18.897 -11.694 -3.399 1.00 0.00 H new ATOM 740 N PHE A 50 16.069 -10.773 -2.463 1.00 0.00 N ATOM 741 CA PHE A 50 15.532 -9.476 -2.068 1.00 0.00 C ATOM 742 C PHE A 50 14.980 -9.526 -0.646 1.00 0.00 C ATOM 743 O PHE A 50 14.836 -10.600 -0.063 1.00 0.00 O ATOM 744 CB PHE A 50 14.434 -9.038 -3.038 1.00 0.00 C ATOM 745 CG PHE A 50 14.952 -8.289 -4.232 1.00 0.00 C ATOM 746 CD1 PHE A 50 15.791 -8.908 -5.145 1.00 0.00 C ATOM 747 CD2 PHE A 50 14.601 -6.965 -4.442 1.00 0.00 C ATOM 748 CE1 PHE A 50 16.270 -8.221 -6.245 1.00 0.00 C ATOM 749 CE2 PHE A 50 15.076 -6.273 -5.540 1.00 0.00 C ATOM 750 CZ PHE A 50 15.913 -6.902 -6.442 1.00 0.00 C ATOM 0 H PHE A 50 15.710 -11.126 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 50 16.344 -8.750 -2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.890 -9.919 -3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.720 -8.409 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.074 -9.939 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 50 13.949 -6.468 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.923 -8.716 -6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.793 -5.242 -5.693 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.287 -6.363 -7.300 1.00 0.00 H new ATOM 760 N GLU A 51 14.674 -8.355 -0.095 1.00 0.00 N ATOM 761 CA GLU A 51 14.139 -8.266 1.259 1.00 0.00 C ATOM 762 C GLU A 51 13.069 -7.182 1.350 1.00 0.00 C ATOM 763 O GLU A 51 13.371 -5.990 1.297 1.00 0.00 O ATOM 764 CB GLU A 51 15.262 -7.974 2.256 1.00 0.00 C ATOM 765 CG GLU A 51 15.955 -9.222 2.776 1.00 0.00 C ATOM 766 CD GLU A 51 15.152 -9.930 3.851 1.00 0.00 C ATOM 767 OE1 GLU A 51 13.954 -9.613 4.002 1.00 0.00 O ATOM 768 OE2 GLU A 51 15.723 -10.800 4.540 1.00 0.00 O ATOM 0 H GLU A 51 14.787 -7.457 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 51 13.683 -9.225 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.001 -7.330 1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.852 -7.418 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.130 -9.908 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.932 -8.951 3.177 1.00 0.00 H new ATOM 775 N ARG A 52 11.816 -7.606 1.487 1.00 0.00 N ATOM 776 CA ARG A 52 10.700 -6.673 1.584 1.00 0.00 C ATOM 777 C ARG A 52 10.851 -5.770 2.804 1.00 0.00 C ATOM 778 O ARG A 52 11.211 -6.229 3.888 1.00 0.00 O ATOM 779 CB ARG A 52 9.376 -7.436 1.662 1.00 0.00 C ATOM 780 CG ARG A 52 8.158 -6.532 1.752 1.00 0.00 C ATOM 781 CD ARG A 52 6.911 -7.314 2.136 1.00 0.00 C ATOM 782 NE ARG A 52 6.898 -7.663 3.554 1.00 0.00 N ATOM 783 CZ ARG A 52 5.806 -8.043 4.207 1.00 0.00 C ATOM 784 NH1 ARG A 52 4.644 -8.123 3.573 1.00 0.00 N ATOM 785 NH2 ARG A 52 5.875 -8.345 5.498 1.00 0.00 N ATOM 0 H ARG A 52 11.549 -8.589 1.533 1.00 0.00 H new ATOM 0 HA ARG A 52 10.701 -6.050 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.281 -8.073 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.396 -8.093 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.339 -5.749 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.998 -6.038 0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.026 -6.723 1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.856 -8.224 1.538 1.00 0.00 H new ATOM 0 HE ARG A 52 7.776 -7.612 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.587 -7.892 2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.807 -8.415 4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.767 -8.285 5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.036 -8.637 5.999 1.00 0.00 H new ATOM 799 N MET A 53 10.575 -4.483 2.619 1.00 0.00 N ATOM 800 CA MET A 53 10.680 -3.515 3.705 1.00 0.00 C ATOM 801 C MET A 53 9.408 -3.504 4.548 1.00 0.00 C ATOM 802 O MET A 53 8.437 -4.190 4.232 1.00 0.00 O ATOM 803 CB MET A 53 10.948 -2.116 3.146 1.00 0.00 C ATOM 804 CG MET A 53 12.421 -1.833 2.897 1.00 0.00 C ATOM 805 SD MET A 53 13.331 -1.502 4.418 1.00 0.00 S ATOM 806 CE MET A 53 15.014 -1.473 3.806 1.00 0.00 C ATOM 0 H MET A 53 10.277 -4.086 1.728 1.00 0.00 H new ATOM 0 HA MET A 53 11.514 -3.809 4.342 1.00 0.00 H new ATOM 0 HB2 MET A 53 10.400 -1.996 2.211 1.00 0.00 H new ATOM 0 HB3 MET A 53 10.557 -1.374 3.842 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.870 -2.686 2.388 1.00 0.00 H new ATOM 0 HG3 MET A 53 12.515 -0.977 2.228 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.698 -1.278 4.632 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.254 -2.436 3.355 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.116 -0.687 3.058 1.00 0.00 H new ATOM 816 N GLY A 54 9.422 -2.719 5.621 1.00 0.00 N ATOM 817 CA GLY A 54 8.264 -2.634 6.492 1.00 0.00 C ATOM 818 C GLY A 54 8.319 -1.431 7.412 1.00 0.00 C ATOM 819 O GLY A 54 8.542 -1.569 8.614 1.00 0.00 O ATOM 0 H GLY A 54 10.214 -2.141 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.360 -2.583 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.196 -3.543 7.090 1.00 0.00 H new ATOM 823 N GLY A 55 8.116 -0.245 6.846 1.00 0.00 N ATOM 824 CA GLY A 55 8.149 0.971 7.639 1.00 0.00 C ATOM 825 C GLY A 55 6.776 1.594 7.802 1.00 0.00 C ATOM 826 O GLY A 55 5.775 1.034 7.355 1.00 0.00 O ATOM 0 H GLY A 55 7.929 -0.104 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.563 0.749 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.818 1.691 7.167 1.00 0.00 H new ATOM 830 N LYS A 56 6.729 2.755 8.445 1.00 0.00 N ATOM 831 CA LYS A 56 5.469 3.456 8.668 1.00 0.00 C ATOM 832 C LYS A 56 5.275 4.565 7.639 1.00 0.00 C ATOM 833 O LYS A 56 5.064 5.725 7.994 1.00 0.00 O ATOM 834 CB LYS A 56 5.432 4.044 10.080 1.00 0.00 C ATOM 835 CG LYS A 56 6.628 4.921 10.406 1.00 0.00 C ATOM 836 CD LYS A 56 6.321 5.884 11.540 1.00 0.00 C ATOM 837 CE LYS A 56 7.301 7.047 11.565 1.00 0.00 C ATOM 838 NZ LYS A 56 7.126 7.945 10.390 1.00 0.00 N ATOM 0 H LYS A 56 7.549 3.231 8.821 1.00 0.00 H new ATOM 0 HA LYS A 56 4.657 2.737 8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.520 4.630 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.382 3.229 10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.476 4.294 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.920 5.483 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.306 6.265 11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.361 5.353 12.491 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.163 7.619 12.483 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.321 6.662 11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.532 8.879 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.611 7.537 9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.113 8.048 10.179 1.00 0.00 H new TER 852 LYS A 56