USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 441 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: B 3 THR OG1 : rot -52:sc= 0.0798 USER MOD Set 1.2: B 6 GLN : amide:sc= -1.5 K(o=-1.4,f=-5.6!) USER MOD Single : A 3 THR OG1 : rot -62:sc= -0.428 USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= -0.0521 (180deg=-1.3!) USER MOD Single : A 6 GLN : amide:sc= -0.0852 X(o=-0.085,f=-0.013) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0848 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 173:sc= -2! (180deg=-2.24!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 51:sc= 0.0536 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 26 MET CE :methyl 176:sc= -3.5! (180deg=-3.67!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 1.664 -0.797 -10.502 1.00 0.00 N ATOM 32 CA THR A 3 0.416 -0.266 -11.025 1.00 0.00 C ATOM 33 C THR A 3 -0.673 -0.310 -9.951 1.00 0.00 C ATOM 34 O THR A 3 -0.579 -1.081 -8.997 1.00 0.00 O ATOM 35 CB THR A 3 0.059 -1.055 -12.286 1.00 0.00 C ATOM 36 OG1 THR A 3 0.105 -2.417 -11.869 1.00 0.00 O ATOM 37 CG2 THR A 3 1.141 -0.958 -13.364 1.00 0.00 C ATOM 0 HA THR A 3 0.516 0.784 -11.299 1.00 0.00 H new ATOM 0 HB THR A 3 -0.886 -0.689 -12.687 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.015 -2.641 -11.582 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.838 -1.536 -14.237 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.278 0.085 -13.649 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.079 -1.354 -12.975 1.00 0.00 H new ATOM 45 N LYS A 4 -1.682 0.526 -10.143 1.00 0.00 N ATOM 46 CA LYS A 4 -2.779 0.607 -9.193 1.00 0.00 C ATOM 47 C LYS A 4 -3.450 -0.764 -9.078 1.00 0.00 C ATOM 48 O LYS A 4 -3.714 -1.239 -7.975 1.00 0.00 O ATOM 49 CB LYS A 4 -3.741 1.732 -9.579 1.00 0.00 C ATOM 50 CG LYS A 4 -3.226 3.086 -9.087 1.00 0.00 C ATOM 51 CD LYS A 4 -3.465 3.251 -7.585 1.00 0.00 C ATOM 52 CE LYS A 4 -2.566 4.343 -7.003 1.00 0.00 C ATOM 53 NZ LYS A 4 -2.207 4.028 -5.602 1.00 0.00 N ATOM 0 H LYS A 4 -1.763 1.154 -10.943 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.406 0.865 -8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.862 1.756 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.725 1.536 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.161 3.173 -9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.727 3.888 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.510 3.502 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.271 2.306 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.661 4.436 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.078 5.305 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.286 4.455 -5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.933 4.411 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.149 2.997 -5.482 1.00 0.00 H new ATOM 67 N ASP A 5 -3.706 -1.360 -10.233 1.00 0.00 N ATOM 68 CA ASP A 5 -4.362 -2.656 -10.276 1.00 0.00 C ATOM 69 C ASP A 5 -3.553 -3.660 -9.453 1.00 0.00 C ATOM 70 O ASP A 5 -4.120 -4.454 -8.704 1.00 0.00 O ATOM 71 CB ASP A 5 -4.448 -3.182 -11.711 1.00 0.00 C ATOM 72 CG ASP A 5 -5.723 -2.799 -12.465 1.00 0.00 C ATOM 73 OD1 ASP A 5 -5.850 -1.599 -12.791 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.541 -3.714 -12.697 1.00 0.00 O ATOM 0 H ASP A 5 -3.471 -0.970 -11.146 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.368 -2.538 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.588 -2.812 -12.270 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.370 -4.269 -11.689 1.00 0.00 H new ATOM 79 N GLN A 6 -2.240 -3.592 -9.618 1.00 0.00 N ATOM 80 CA GLN A 6 -1.351 -4.519 -8.939 1.00 0.00 C ATOM 81 C GLN A 6 -1.519 -4.401 -7.423 1.00 0.00 C ATOM 82 O GLN A 6 -1.283 -5.362 -6.692 1.00 0.00 O ATOM 83 CB GLN A 6 0.104 -4.283 -9.349 1.00 0.00 C ATOM 84 CG GLN A 6 0.537 -5.274 -10.431 1.00 0.00 C ATOM 85 CD GLN A 6 1.968 -5.759 -10.190 1.00 0.00 C ATOM 86 OE1 GLN A 6 2.866 -5.546 -10.988 1.00 0.00 O ATOM 87 NE2 GLN A 6 2.129 -6.421 -9.048 1.00 0.00 N ATOM 0 H GLN A 6 -1.770 -2.909 -10.212 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.618 -5.533 -9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.221 -3.264 -9.717 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.752 -4.384 -8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.143 -6.126 -10.442 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.470 -4.801 -11.411 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.334 -6.564 -8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.047 -6.786 -8.795 1.00 0.00 H new ATOM 96 N ILE A 7 -1.927 -3.215 -6.995 1.00 0.00 N ATOM 97 CA ILE A 7 -2.106 -2.952 -5.577 1.00 0.00 C ATOM 98 C ILE A 7 -3.405 -3.607 -5.102 1.00 0.00 C ATOM 99 O ILE A 7 -3.512 -4.012 -3.945 1.00 0.00 O ATOM 100 CB ILE A 7 -2.037 -1.450 -5.298 1.00 0.00 C ATOM 101 CG1 ILE A 7 -0.650 -0.894 -5.627 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.453 -1.139 -3.859 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.665 0.635 -5.660 1.00 0.00 C ATOM 0 H ILE A 7 -2.139 -2.426 -7.605 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.295 -3.397 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.749 -0.948 -5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.069 -1.238 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.320 -1.279 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.395 -0.064 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.476 -1.478 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.785 -1.653 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.333 1.004 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.367 0.976 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.972 1.017 -4.686 1.00 0.00 H new ATOM 115 N ILE A 8 -4.358 -3.690 -6.018 1.00 0.00 N ATOM 116 CA ILE A 8 -5.631 -4.324 -5.718 1.00 0.00 C ATOM 117 C ILE A 8 -5.389 -5.782 -5.325 1.00 0.00 C ATOM 118 O ILE A 8 -5.871 -6.238 -4.289 1.00 0.00 O ATOM 119 CB ILE A 8 -6.602 -4.155 -6.888 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.906 -2.677 -7.140 1.00 0.00 C ATOM 121 CG2 ILE A 8 -7.877 -4.971 -6.664 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.517 -2.023 -5.899 1.00 0.00 C ATOM 0 H ILE A 8 -4.275 -3.329 -6.968 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.107 -3.839 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.124 -4.543 -7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.990 -2.156 -7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.593 -2.582 -7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.550 -4.833 -7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.622 -6.027 -6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.368 -4.635 -5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.723 -0.973 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.446 -2.531 -5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.818 -2.098 -5.066 1.00 0.00 H new ATOM 134 N GLU A 9 -4.642 -6.474 -6.173 1.00 0.00 N ATOM 135 CA GLU A 9 -4.357 -7.880 -5.943 1.00 0.00 C ATOM 136 C GLU A 9 -3.520 -8.051 -4.674 1.00 0.00 C ATOM 137 O GLU A 9 -3.442 -9.147 -4.120 1.00 0.00 O ATOM 138 CB GLU A 9 -3.653 -8.501 -7.151 1.00 0.00 C ATOM 139 CG GLU A 9 -4.664 -8.911 -8.224 1.00 0.00 C ATOM 140 CD GLU A 9 -4.007 -9.790 -9.290 1.00 0.00 C ATOM 141 OE1 GLU A 9 -2.939 -9.373 -9.789 1.00 0.00 O ATOM 142 OE2 GLU A 9 -4.587 -10.857 -9.583 1.00 0.00 O ATOM 0 H GLU A 9 -4.226 -6.087 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.302 -8.405 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.943 -7.787 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.080 -9.372 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.491 -9.450 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.085 -8.021 -8.691 1.00 0.00 H new ATOM 149 N ALA A 10 -2.914 -6.952 -4.250 1.00 0.00 N ATOM 150 CA ALA A 10 -2.058 -6.974 -3.076 1.00 0.00 C ATOM 151 C ALA A 10 -2.926 -7.015 -1.817 1.00 0.00 C ATOM 152 O ALA A 10 -2.567 -7.658 -0.832 1.00 0.00 O ATOM 153 CB ALA A 10 -1.124 -5.762 -3.102 1.00 0.00 C ATOM 0 H ALA A 10 -2.999 -6.040 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.433 -7.867 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.482 -5.778 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.508 -5.796 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.716 -4.847 -3.102 1.00 0.00 H new ATOM 159 N VAL A 11 -4.051 -6.320 -1.890 1.00 0.00 N ATOM 160 CA VAL A 11 -4.961 -6.248 -0.760 1.00 0.00 C ATOM 161 C VAL A 11 -5.741 -7.560 -0.654 1.00 0.00 C ATOM 162 O VAL A 11 -6.226 -7.913 0.420 1.00 0.00 O ATOM 163 CB VAL A 11 -5.868 -5.023 -0.895 1.00 0.00 C ATOM 164 CG1 VAL A 11 -7.063 -5.118 0.056 1.00 0.00 C ATOM 165 CG2 VAL A 11 -5.083 -3.731 -0.661 1.00 0.00 C ATOM 0 H VAL A 11 -4.353 -5.801 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.406 -6.124 0.170 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.252 -5.002 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.691 -4.235 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.644 -6.010 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.706 -5.177 1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.751 -2.876 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.657 -3.741 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.281 -3.654 -1.395 1.00 0.00 H new ATOM 175 N ALA A 12 -5.837 -8.247 -1.783 1.00 0.00 N ATOM 176 CA ALA A 12 -6.519 -9.529 -1.823 1.00 0.00 C ATOM 177 C ALA A 12 -5.522 -10.643 -1.496 1.00 0.00 C ATOM 178 O ALA A 12 -5.876 -11.821 -1.506 1.00 0.00 O ATOM 179 CB ALA A 12 -7.174 -9.717 -3.193 1.00 0.00 C ATOM 0 H ALA A 12 -5.454 -7.940 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.311 -9.565 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.686 -10.679 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.895 -8.917 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.409 -9.689 -3.969 1.00 0.00 H new ATOM 185 N ALA A 13 -4.295 -10.231 -1.215 1.00 0.00 N ATOM 186 CA ALA A 13 -3.239 -11.180 -0.904 1.00 0.00 C ATOM 187 C ALA A 13 -2.932 -11.122 0.594 1.00 0.00 C ATOM 188 O ALA A 13 -2.475 -12.104 1.176 1.00 0.00 O ATOM 189 CB ALA A 13 -2.010 -10.877 -1.763 1.00 0.00 C ATOM 0 H ALA A 13 -4.008 -9.252 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.556 -12.197 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.218 -11.589 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.274 -10.960 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.661 -9.865 -1.555 1.00 0.00 H new ATOM 195 N MET A 14 -3.195 -9.961 1.175 1.00 0.00 N ATOM 196 CA MET A 14 -2.911 -9.747 2.584 1.00 0.00 C ATOM 197 C MET A 14 -4.160 -9.977 3.436 1.00 0.00 C ATOM 198 O MET A 14 -5.264 -10.100 2.907 1.00 0.00 O ATOM 199 CB MET A 14 -2.406 -8.318 2.792 1.00 0.00 C ATOM 200 CG MET A 14 -1.127 -8.066 1.991 1.00 0.00 C ATOM 201 SD MET A 14 -0.733 -6.325 2.003 1.00 0.00 S ATOM 202 CE MET A 14 0.802 -6.349 1.092 1.00 0.00 C ATOM 0 H MET A 14 -3.602 -9.158 0.695 1.00 0.00 H new ATOM 0 HA MET A 14 -2.147 -10.460 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.176 -7.609 2.488 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.216 -8.146 3.851 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.302 -8.637 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.256 -8.411 0.965 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.190 -5.334 1.006 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.527 -6.971 1.617 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.628 -6.757 0.096 1.00 0.00 H new ATOM 212 N SER A 15 -3.945 -10.028 4.743 1.00 0.00 N ATOM 213 CA SER A 15 -5.039 -10.252 5.673 1.00 0.00 C ATOM 214 C SER A 15 -5.772 -8.936 5.945 1.00 0.00 C ATOM 215 O SER A 15 -5.229 -7.859 5.706 1.00 0.00 O ATOM 216 CB SER A 15 -4.532 -10.857 6.984 1.00 0.00 C ATOM 217 OG SER A 15 -3.163 -10.541 7.224 1.00 0.00 O ATOM 0 H SER A 15 -3.030 -9.918 5.180 1.00 0.00 H new ATOM 0 HA SER A 15 -5.733 -10.961 5.221 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.139 -10.490 7.811 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.654 -11.940 6.955 1.00 0.00 H new ATOM 0 HG SER A 15 -2.878 -10.944 8.071 1.00 0.00 H new ATOM 223 N VAL A 16 -6.993 -9.068 6.441 1.00 0.00 N ATOM 224 CA VAL A 16 -7.809 -7.904 6.740 1.00 0.00 C ATOM 225 C VAL A 16 -7.040 -6.978 7.686 1.00 0.00 C ATOM 226 O VAL A 16 -7.004 -5.766 7.480 1.00 0.00 O ATOM 227 CB VAL A 16 -9.162 -8.343 7.303 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.981 -7.137 7.766 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.938 -9.173 6.278 1.00 0.00 C ATOM 0 H VAL A 16 -7.437 -9.964 6.643 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.018 -7.341 5.831 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.975 -8.973 8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.938 -7.477 8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.435 -6.604 8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.154 -6.469 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.896 -9.473 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.109 -8.577 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.362 -10.061 6.018 1.00 0.00 H new ATOM 239 N MET A 17 -6.446 -7.585 8.703 1.00 0.00 N ATOM 240 CA MET A 17 -5.694 -6.828 9.690 1.00 0.00 C ATOM 241 C MET A 17 -4.644 -5.942 9.018 1.00 0.00 C ATOM 242 O MET A 17 -4.511 -4.766 9.355 1.00 0.00 O ATOM 243 CB MET A 17 -5.005 -7.793 10.656 1.00 0.00 C ATOM 244 CG MET A 17 -5.897 -8.090 11.864 1.00 0.00 C ATOM 245 SD MET A 17 -5.262 -7.258 13.310 1.00 0.00 S ATOM 246 CE MET A 17 -5.165 -8.635 14.442 1.00 0.00 C ATOM 0 H MET A 17 -6.470 -8.592 8.865 1.00 0.00 H new ATOM 0 HA MET A 17 -6.387 -6.187 10.235 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.766 -8.722 10.139 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.061 -7.364 10.993 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.917 -7.761 11.663 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.938 -9.165 12.041 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.784 -8.290 15.403 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.157 -9.065 14.578 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.494 -9.393 14.037 1.00 0.00 H new ATOM 256 N ASP A 18 -3.925 -6.539 8.079 1.00 0.00 N ATOM 257 CA ASP A 18 -2.873 -5.825 7.375 1.00 0.00 C ATOM 258 C ASP A 18 -3.479 -4.627 6.641 1.00 0.00 C ATOM 259 O ASP A 18 -2.837 -3.585 6.510 1.00 0.00 O ATOM 260 CB ASP A 18 -2.199 -6.723 6.336 1.00 0.00 C ATOM 261 CG ASP A 18 -1.109 -6.044 5.504 1.00 0.00 C ATOM 262 OD1 ASP A 18 -1.469 -5.116 4.747 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.058 -6.468 5.643 1.00 0.00 O ATOM 0 H ASP A 18 -4.050 -7.509 7.789 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.134 -5.504 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.763 -7.581 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.963 -7.109 5.661 1.00 0.00 H new ATOM 268 N VAL A 19 -4.708 -4.814 6.182 1.00 0.00 N ATOM 269 CA VAL A 19 -5.388 -3.779 5.421 1.00 0.00 C ATOM 270 C VAL A 19 -5.908 -2.706 6.379 1.00 0.00 C ATOM 271 O VAL A 19 -6.020 -1.539 6.007 1.00 0.00 O ATOM 272 CB VAL A 19 -6.492 -4.401 4.564 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.264 -3.324 3.799 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.919 -5.449 3.607 1.00 0.00 C ATOM 0 H VAL A 19 -5.250 -5.666 6.322 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.696 -3.293 4.734 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.191 -4.904 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.043 -3.793 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.719 -2.631 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.580 -2.780 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.725 -5.875 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.188 -4.979 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.435 -6.240 4.181 1.00 0.00 H new ATOM 284 N VAL A 20 -6.211 -3.139 7.594 1.00 0.00 N ATOM 285 CA VAL A 20 -6.719 -2.230 8.607 1.00 0.00 C ATOM 286 C VAL A 20 -5.618 -1.242 8.999 1.00 0.00 C ATOM 287 O VAL A 20 -5.875 -0.049 9.153 1.00 0.00 O ATOM 288 CB VAL A 20 -7.261 -3.023 9.798 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.372 -2.139 11.041 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.607 -3.667 9.461 1.00 0.00 C ATOM 0 H VAL A 20 -6.114 -4.107 7.900 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.553 -1.649 8.214 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.553 -3.822 10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.760 -2.727 11.873 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.387 -1.750 11.300 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.048 -1.309 10.838 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.970 -4.225 10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.327 -2.891 9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.485 -4.345 8.617 1.00 0.00 H new ATOM 300 N GLU A 21 -4.414 -1.776 9.148 1.00 0.00 N ATOM 301 CA GLU A 21 -3.268 -0.952 9.492 1.00 0.00 C ATOM 302 C GLU A 21 -3.034 0.108 8.414 1.00 0.00 C ATOM 303 O GLU A 21 -2.904 1.292 8.721 1.00 0.00 O ATOM 304 CB GLU A 21 -2.018 -1.811 9.698 1.00 0.00 C ATOM 305 CG GLU A 21 -1.925 -2.306 11.142 1.00 0.00 C ATOM 306 CD GLU A 21 -0.600 -1.885 11.782 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.423 -0.661 11.965 1.00 0.00 O ATOM 308 OE2 GLU A 21 0.204 -2.796 12.073 1.00 0.00 O ATOM 0 H GLU A 21 -4.208 -2.769 9.037 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.479 -0.444 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.042 -2.663 9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.129 -1.231 9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.756 -1.905 11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.015 -3.392 11.164 1.00 0.00 H new ATOM 315 N LEU A 22 -2.986 -0.356 7.174 1.00 0.00 N ATOM 316 CA LEU A 22 -2.781 0.540 6.048 1.00 0.00 C ATOM 317 C LEU A 22 -3.814 1.667 6.103 1.00 0.00 C ATOM 318 O LEU A 22 -3.457 2.833 6.263 1.00 0.00 O ATOM 319 CB LEU A 22 -2.794 -0.242 4.732 1.00 0.00 C ATOM 320 CG LEU A 22 -2.452 0.557 3.473 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.938 0.640 3.271 1.00 0.00 C ATOM 322 CD2 LEU A 22 -3.163 -0.019 2.248 1.00 0.00 C ATOM 0 H LEU A 22 -3.085 -1.340 6.924 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.797 1.006 6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.088 -1.068 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.784 -0.680 4.603 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.815 1.576 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.722 1.213 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.483 1.131 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.529 -0.365 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.903 0.568 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.853 -1.053 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.241 0.018 2.403 1.00 0.00 H new ATOM 334 N ILE A 23 -5.074 1.279 5.968 1.00 0.00 N ATOM 335 CA ILE A 23 -6.158 2.246 5.970 1.00 0.00 C ATOM 336 C ILE A 23 -5.965 3.221 7.133 1.00 0.00 C ATOM 337 O ILE A 23 -6.057 4.434 6.952 1.00 0.00 O ATOM 338 CB ILE A 23 -7.512 1.533 5.985 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.746 0.773 4.677 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.646 2.514 6.288 1.00 0.00 C ATOM 341 CD1 ILE A 23 -8.948 -0.166 4.796 1.00 0.00 C ATOM 0 H ILE A 23 -5.368 0.309 5.857 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.143 2.836 5.053 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.501 0.796 6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.912 1.481 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.855 0.199 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.597 1.981 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.481 2.970 7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.669 3.291 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.092 -0.694 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.768 -0.888 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.841 0.414 5.027 1.00 0.00 H new ATOM 353 N SER A 24 -5.700 2.654 8.301 1.00 0.00 N ATOM 354 CA SER A 24 -5.547 3.455 9.503 1.00 0.00 C ATOM 355 C SER A 24 -4.418 4.471 9.315 1.00 0.00 C ATOM 356 O SER A 24 -4.514 5.604 9.784 1.00 0.00 O ATOM 357 CB SER A 24 -5.268 2.572 10.721 1.00 0.00 C ATOM 358 OG SER A 24 -6.468 2.189 11.388 1.00 0.00 O ATOM 0 H SER A 24 -5.587 1.650 8.440 1.00 0.00 H new ATOM 0 HA SER A 24 -6.481 3.988 9.680 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.728 1.679 10.406 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.621 3.107 11.416 1.00 0.00 H new ATOM 0 HG SER A 24 -6.248 1.625 12.159 1.00 0.00 H new ATOM 364 N ALA A 25 -3.375 4.029 8.629 1.00 0.00 N ATOM 365 CA ALA A 25 -2.218 4.876 8.397 1.00 0.00 C ATOM 366 C ALA A 25 -2.648 6.118 7.615 1.00 0.00 C ATOM 367 O ALA A 25 -2.550 7.237 8.117 1.00 0.00 O ATOM 368 CB ALA A 25 -1.136 4.075 7.670 1.00 0.00 C ATOM 0 H ALA A 25 -3.307 3.094 8.226 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.794 5.213 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.268 4.711 7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.844 3.221 8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.525 3.722 6.715 1.00 0.00 H new ATOM 374 N MET A 26 -3.116 5.880 6.398 1.00 0.00 N ATOM 375 CA MET A 26 -3.541 6.967 5.534 1.00 0.00 C ATOM 376 C MET A 26 -4.535 7.882 6.251 1.00 0.00 C ATOM 377 O MET A 26 -4.447 9.104 6.146 1.00 0.00 O ATOM 378 CB MET A 26 -4.193 6.393 4.274 1.00 0.00 C ATOM 379 CG MET A 26 -3.149 5.738 3.367 1.00 0.00 C ATOM 380 SD MET A 26 -3.925 5.142 1.874 1.00 0.00 S ATOM 381 CE MET A 26 -2.707 3.949 1.346 1.00 0.00 C ATOM 0 H MET A 26 -3.210 4.950 5.990 1.00 0.00 H new ATOM 0 HA MET A 26 -2.664 7.555 5.265 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.949 5.659 4.553 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.705 7.187 3.731 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.368 6.457 3.119 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.667 4.912 3.891 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.090 3.392 0.491 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.791 4.466 1.061 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.495 3.260 2.163 1.00 0.00 H new ATOM 391 N GLU A 27 -5.459 7.255 6.965 1.00 0.00 N ATOM 392 CA GLU A 27 -6.475 7.997 7.692 1.00 0.00 C ATOM 393 C GLU A 27 -5.826 9.089 8.545 1.00 0.00 C ATOM 394 O GLU A 27 -6.281 10.232 8.548 1.00 0.00 O ATOM 395 CB GLU A 27 -7.326 7.062 8.553 1.00 0.00 C ATOM 396 CG GLU A 27 -8.566 6.591 7.789 1.00 0.00 C ATOM 397 CD GLU A 27 -9.295 5.486 8.557 1.00 0.00 C ATOM 398 OE1 GLU A 27 -8.691 4.401 8.701 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.440 5.752 8.982 1.00 0.00 O ATOM 0 H GLU A 27 -5.525 6.241 7.055 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.137 8.473 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.732 6.200 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.630 7.577 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.240 7.432 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.274 6.224 6.805 1.00 0.00 H new ATOM 406 N GLU A 28 -4.773 8.699 9.248 1.00 0.00 N ATOM 407 CA GLU A 28 -4.091 9.616 10.145 1.00 0.00 C ATOM 408 C GLU A 28 -3.174 10.550 9.352 1.00 0.00 C ATOM 409 O GLU A 28 -3.178 11.761 9.569 1.00 0.00 O ATOM 410 CB GLU A 28 -3.305 8.854 11.214 1.00 0.00 C ATOM 411 CG GLU A 28 -2.517 9.816 12.105 1.00 0.00 C ATOM 412 CD GLU A 28 -2.529 9.350 13.562 1.00 0.00 C ATOM 413 OE1 GLU A 28 -3.466 9.758 14.281 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.601 8.595 13.924 1.00 0.00 O ATOM 0 H GLU A 28 -4.375 7.760 9.215 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.841 10.221 10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.990 8.266 11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.621 8.152 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.489 9.886 11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.946 10.815 12.036 1.00 0.00 H new ATOM 421 N LYS A 29 -2.410 9.951 8.450 1.00 0.00 N ATOM 422 CA LYS A 29 -1.464 10.709 7.649 1.00 0.00 C ATOM 423 C LYS A 29 -2.200 11.849 6.942 1.00 0.00 C ATOM 424 O LYS A 29 -1.948 13.021 7.218 1.00 0.00 O ATOM 425 CB LYS A 29 -0.705 9.783 6.696 1.00 0.00 C ATOM 426 CG LYS A 29 0.222 10.582 5.778 1.00 0.00 C ATOM 427 CD LYS A 29 1.686 10.200 6.010 1.00 0.00 C ATOM 428 CE LYS A 29 2.309 11.061 7.111 1.00 0.00 C ATOM 429 NZ LYS A 29 2.878 12.302 6.538 1.00 0.00 N ATOM 0 H LYS A 29 -2.427 8.950 8.256 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.705 11.164 8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.122 9.063 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.414 9.213 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.045 10.399 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.088 11.649 5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.752 9.147 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.249 10.323 5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.554 11.310 7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.090 10.498 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.297 12.875 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.612 12.059 5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.125 12.845 6.070 1.00 0.00 H new ATOM 443 N PHE A 30 -3.094 11.466 6.043 1.00 0.00 N ATOM 444 CA PHE A 30 -3.856 12.441 5.282 1.00 0.00 C ATOM 445 C PHE A 30 -4.937 13.090 6.149 1.00 0.00 C ATOM 446 O PHE A 30 -5.649 13.984 5.694 1.00 0.00 O ATOM 447 CB PHE A 30 -4.526 11.686 4.132 1.00 0.00 C ATOM 448 CG PHE A 30 -3.549 11.162 3.078 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.096 11.990 2.099 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.132 9.868 3.121 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.188 11.503 1.121 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.224 9.382 2.144 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.772 10.209 1.164 1.00 0.00 C ATOM 0 H PHE A 30 -3.308 10.493 5.824 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.196 13.230 4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.088 10.846 4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.246 12.346 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.426 13.018 2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.492 9.210 3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.828 12.160 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.892 8.355 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.083 9.838 0.420 1.00 0.00 H new ATOM 463 N GLY A 31 -5.026 12.614 7.382 1.00 0.00 N ATOM 464 CA GLY A 31 -5.980 13.165 8.329 1.00 0.00 C ATOM 465 C GLY A 31 -7.357 13.336 7.684 1.00 0.00 C ATOM 466 O GLY A 31 -7.974 14.393 7.802 1.00 0.00 O ATOM 0 H GLY A 31 -4.453 11.853 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.059 12.508 9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.622 14.129 8.692 1.00 0.00 H new ATOM 568 N THR B 3 6.059 -2.566 1.471 1.00 0.00 N ATOM 569 CA THR B 3 5.604 -2.375 2.837 1.00 0.00 C ATOM 570 C THR B 3 4.423 -1.403 2.875 1.00 0.00 C ATOM 571 O THR B 3 4.248 -0.597 1.963 1.00 0.00 O ATOM 572 CB THR B 3 6.798 -1.912 3.673 1.00 0.00 C ATOM 573 OG1 THR B 3 7.283 -0.765 2.981 1.00 0.00 O ATOM 574 CG2 THR B 3 7.966 -2.899 3.623 1.00 0.00 C ATOM 0 HA THR B 3 5.232 -3.307 3.263 1.00 0.00 H new ATOM 0 HB THR B 3 6.484 -1.773 4.708 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.428 -0.989 2.038 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.787 -2.522 4.233 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.642 -3.866 4.008 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.302 -3.013 2.592 1.00 0.00 H new ATOM 582 N LYS B 4 3.642 -1.512 3.940 1.00 0.00 N ATOM 583 CA LYS B 4 2.489 -0.644 4.115 1.00 0.00 C ATOM 584 C LYS B 4 2.928 0.814 3.973 1.00 0.00 C ATOM 585 O LYS B 4 2.268 1.602 3.298 1.00 0.00 O ATOM 586 CB LYS B 4 1.785 -0.949 5.439 1.00 0.00 C ATOM 587 CG LYS B 4 0.748 -2.060 5.265 1.00 0.00 C ATOM 588 CD LYS B 4 1.376 -3.437 5.493 1.00 0.00 C ATOM 589 CE LYS B 4 1.704 -4.117 4.162 1.00 0.00 C ATOM 590 NZ LYS B 4 2.881 -5.002 4.309 1.00 0.00 N ATOM 0 H LYS B 4 3.785 -2.188 4.690 1.00 0.00 H new ATOM 0 HA LYS B 4 1.749 -0.831 3.337 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.521 -1.247 6.186 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.299 -0.048 5.812 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -0.072 -1.910 5.967 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.323 -2.012 4.263 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.285 -3.333 6.086 1.00 0.00 H new ATOM 0 HD3 LYS B 4 0.692 -4.062 6.066 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.846 -4.697 3.822 1.00 0.00 H new ATOM 0 HE3 LYS B 4 1.901 -3.363 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.090 -5.456 3.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.702 -4.440 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.679 -5.733 5.021 1.00 0.00 H new ATOM 604 N ASP B 5 4.040 1.130 4.621 1.00 0.00 N ATOM 605 CA ASP B 5 4.540 2.494 4.628 1.00 0.00 C ATOM 606 C ASP B 5 4.762 2.960 3.188 1.00 0.00 C ATOM 607 O ASP B 5 4.392 4.076 2.828 1.00 0.00 O ATOM 608 CB ASP B 5 5.877 2.587 5.366 1.00 0.00 C ATOM 609 CG ASP B 5 5.770 2.885 6.863 1.00 0.00 C ATOM 610 OD1 ASP B 5 5.067 3.862 7.199 1.00 0.00 O ATOM 611 OD2 ASP B 5 6.393 2.128 7.638 1.00 0.00 O ATOM 0 H ASP B 5 4.609 0.465 5.145 1.00 0.00 H new ATOM 0 HA ASP B 5 3.804 3.119 5.134 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.413 1.647 5.235 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.480 3.365 4.898 1.00 0.00 H new ATOM 616 N GLN B 6 5.365 2.080 2.402 1.00 0.00 N ATOM 617 CA GLN B 6 5.693 2.408 1.025 1.00 0.00 C ATOM 618 C GLN B 6 4.426 2.782 0.252 1.00 0.00 C ATOM 619 O GLN B 6 4.489 3.516 -0.733 1.00 0.00 O ATOM 620 CB GLN B 6 6.427 1.251 0.345 1.00 0.00 C ATOM 621 CG GLN B 6 7.936 1.504 0.309 1.00 0.00 C ATOM 622 CD GLN B 6 8.505 1.630 1.724 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.069 2.440 2.526 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.500 0.787 1.984 1.00 0.00 N ATOM 0 H GLN B 6 5.635 1.140 2.693 1.00 0.00 H new ATOM 0 HA GLN B 6 6.362 3.268 1.027 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.223 0.323 0.878 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.052 1.124 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.433 0.688 -0.215 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.142 2.415 -0.252 1.00 0.00 H new ATOM 0 HE21 GLN B 6 9.816 0.134 1.267 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.947 0.793 2.901 1.00 0.00 H new ATOM 633 N ILE B 7 3.305 2.261 0.729 1.00 0.00 N ATOM 634 CA ILE B 7 2.030 2.501 0.074 1.00 0.00 C ATOM 635 C ILE B 7 1.503 3.878 0.484 1.00 0.00 C ATOM 636 O ILE B 7 0.790 4.526 -0.281 1.00 0.00 O ATOM 637 CB ILE B 7 1.055 1.358 0.364 1.00 0.00 C ATOM 638 CG1 ILE B 7 1.640 0.014 -0.074 1.00 0.00 C ATOM 639 CG2 ILE B 7 -0.309 1.626 -0.275 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.221 0.103 -1.487 1.00 0.00 C ATOM 0 H ILE B 7 3.253 1.674 1.561 1.00 0.00 H new ATOM 0 HA ILE B 7 2.154 2.516 -1.009 1.00 0.00 H new ATOM 0 HB ILE B 7 0.901 1.305 1.442 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.419 -0.293 0.624 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.865 -0.751 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.983 0.799 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.724 2.550 0.128 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.193 1.721 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.630 -0.866 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.435 0.386 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE B 7 3.013 0.852 -1.508 1.00 0.00 H new ATOM 652 N ILE B 8 1.874 4.284 1.689 1.00 0.00 N ATOM 653 CA ILE B 8 1.443 5.570 2.211 1.00 0.00 C ATOM 654 C ILE B 8 1.998 6.687 1.326 1.00 0.00 C ATOM 655 O ILE B 8 1.259 7.577 0.907 1.00 0.00 O ATOM 656 CB ILE B 8 1.828 5.705 3.686 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.359 4.490 4.489 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.302 7.017 4.271 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.126 4.212 4.246 1.00 0.00 C ATOM 0 H ILE B 8 2.468 3.745 2.319 1.00 0.00 H new ATOM 0 HA ILE B 8 0.356 5.649 2.180 1.00 0.00 H new ATOM 0 HB ILE B 8 2.915 5.735 3.754 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.947 3.616 4.209 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.531 4.663 5.551 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.589 7.089 5.320 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.726 7.857 3.721 1.00 0.00 H new ATOM 0 HG23 ILE B 8 0.215 7.042 4.190 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.434 3.344 4.828 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.713 5.079 4.549 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.291 4.015 3.187 1.00 0.00 H new ATOM 671 N GLU B 9 3.295 6.604 1.066 1.00 0.00 N ATOM 672 CA GLU B 9 3.965 7.618 0.269 1.00 0.00 C ATOM 673 C GLU B 9 3.518 7.526 -1.191 1.00 0.00 C ATOM 674 O GLU B 9 3.698 8.470 -1.959 1.00 0.00 O ATOM 675 CB GLU B 9 5.485 7.491 0.387 1.00 0.00 C ATOM 676 CG GLU B 9 5.979 8.047 1.724 1.00 0.00 C ATOM 677 CD GLU B 9 6.306 9.538 1.611 1.00 0.00 C ATOM 678 OE1 GLU B 9 5.340 10.331 1.606 1.00 0.00 O ATOM 679 OE2 GLU B 9 7.513 9.850 1.533 1.00 0.00 O ATOM 0 H GLU B 9 3.899 5.850 1.393 1.00 0.00 H new ATOM 0 HA GLU B 9 3.685 8.599 0.653 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.774 6.444 0.295 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.963 8.027 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.217 7.895 2.489 1.00 0.00 H new ATOM 0 HG3 GLU B 9 6.866 7.500 2.044 1.00 0.00 H new ATOM 686 N ALA B 10 2.945 6.381 -1.531 1.00 0.00 N ATOM 687 CA ALA B 10 2.491 6.145 -2.891 1.00 0.00 C ATOM 688 C ALA B 10 1.191 6.915 -3.130 1.00 0.00 C ATOM 689 O ALA B 10 1.035 7.575 -4.156 1.00 0.00 O ATOM 690 CB ALA B 10 2.330 4.641 -3.122 1.00 0.00 C ATOM 0 H ALA B 10 2.785 5.606 -0.888 1.00 0.00 H new ATOM 0 HA ALA B 10 3.226 6.508 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.989 4.464 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.288 4.145 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.598 4.242 -2.421 1.00 0.00 H new ATOM 696 N VAL B 11 0.289 6.804 -2.165 1.00 0.00 N ATOM 697 CA VAL B 11 -1.008 7.449 -2.275 1.00 0.00 C ATOM 698 C VAL B 11 -0.824 8.967 -2.223 1.00 0.00 C ATOM 699 O VAL B 11 -1.672 9.716 -2.704 1.00 0.00 O ATOM 700 CB VAL B 11 -1.948 6.923 -1.189 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.129 7.874 -0.978 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.434 5.511 -1.521 1.00 0.00 C ATOM 0 H VAL B 11 0.431 6.277 -1.303 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.473 7.211 -3.232 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.387 6.873 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.782 7.477 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.758 8.853 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.689 7.970 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.101 5.161 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.970 5.524 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.578 4.840 -1.597 1.00 0.00 H new ATOM 712 N ALA B 12 0.291 9.376 -1.634 1.00 0.00 N ATOM 713 CA ALA B 12 0.581 10.791 -1.483 1.00 0.00 C ATOM 714 C ALA B 12 1.416 11.266 -2.674 1.00 0.00 C ATOM 715 O ALA B 12 1.702 12.456 -2.801 1.00 0.00 O ATOM 716 CB ALA B 12 1.286 11.028 -0.145 1.00 0.00 C ATOM 0 H ALA B 12 1.004 8.752 -1.256 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.341 11.373 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.504 12.090 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.640 10.701 0.670 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.217 10.462 -0.119 1.00 0.00 H new ATOM 722 N ALA B 13 1.784 10.312 -3.516 1.00 0.00 N ATOM 723 CA ALA B 13 2.611 10.612 -4.672 1.00 0.00 C ATOM 724 C ALA B 13 1.717 10.798 -5.900 1.00 0.00 C ATOM 725 O ALA B 13 2.096 11.479 -6.851 1.00 0.00 O ATOM 726 CB ALA B 13 3.642 9.498 -4.865 1.00 0.00 C ATOM 0 H ALA B 13 1.524 9.330 -3.421 1.00 0.00 H new ATOM 0 HA ALA B 13 3.159 11.542 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.263 9.723 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.271 9.427 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA B 13 3.128 8.550 -5.023 1.00 0.00 H new ATOM 732 N MET B 14 0.547 10.179 -5.839 1.00 0.00 N ATOM 733 CA MET B 14 -0.391 10.242 -6.946 1.00 0.00 C ATOM 734 C MET B 14 -1.513 11.241 -6.659 1.00 0.00 C ATOM 735 O MET B 14 -1.608 11.773 -5.554 1.00 0.00 O ATOM 736 CB MET B 14 -0.991 8.855 -7.186 1.00 0.00 C ATOM 737 CG MET B 14 0.075 7.873 -7.676 1.00 0.00 C ATOM 738 SD MET B 14 0.073 6.409 -6.655 1.00 0.00 S ATOM 739 CE MET B 14 1.236 5.400 -7.557 1.00 0.00 C ATOM 0 H MET B 14 0.228 9.631 -5.040 1.00 0.00 H new ATOM 0 HA MET B 14 0.146 10.574 -7.834 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.436 8.483 -6.263 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.792 8.924 -7.922 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.118 7.602 -8.714 1.00 0.00 H new ATOM 0 HG3 MET B 14 1.057 8.345 -7.647 1.00 0.00 H new ATOM 0 HE1 MET B 14 1.354 4.441 -7.052 1.00 0.00 H new ATOM 0 HE2 MET B 14 0.866 5.235 -8.569 1.00 0.00 H new ATOM 0 HE3 MET B 14 2.200 5.907 -7.602 1.00 0.00 H new ATOM 749 N SER B 15 -2.336 11.466 -7.673 1.00 0.00 N ATOM 750 CA SER B 15 -3.427 12.419 -7.555 1.00 0.00 C ATOM 751 C SER B 15 -4.630 11.756 -6.880 1.00 0.00 C ATOM 752 O SER B 15 -4.737 10.531 -6.859 1.00 0.00 O ATOM 753 CB SER B 15 -3.825 12.973 -8.924 1.00 0.00 C ATOM 754 OG SER B 15 -3.490 12.078 -9.980 1.00 0.00 O ATOM 0 H SER B 15 -2.269 11.005 -8.580 1.00 0.00 H new ATOM 0 HA SER B 15 -3.088 13.253 -6.941 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.898 13.166 -8.939 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.327 13.929 -9.087 1.00 0.00 H new ATOM 0 HG SER B 15 -3.837 11.185 -9.774 1.00 0.00 H new ATOM 760 N VAL B 16 -5.505 12.595 -6.346 1.00 0.00 N ATOM 761 CA VAL B 16 -6.679 12.105 -5.644 1.00 0.00 C ATOM 762 C VAL B 16 -7.470 11.178 -6.569 1.00 0.00 C ATOM 763 O VAL B 16 -7.920 10.113 -6.150 1.00 0.00 O ATOM 764 CB VAL B 16 -7.508 13.282 -5.126 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.813 12.797 -4.491 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.700 14.129 -4.140 1.00 0.00 C ATOM 0 H VAL B 16 -5.425 13.611 -6.385 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.387 11.522 -4.771 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.764 13.912 -5.978 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -9.383 13.654 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.400 12.257 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.587 12.135 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.312 14.959 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -6.400 13.513 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.812 14.519 -4.638 1.00 0.00 H new ATOM 776 N MET B 17 -7.617 11.618 -7.811 1.00 0.00 N ATOM 777 CA MET B 17 -8.372 10.855 -8.790 1.00 0.00 C ATOM 778 C MET B 17 -7.868 9.413 -8.869 1.00 0.00 C ATOM 779 O MET B 17 -8.662 8.473 -8.873 1.00 0.00 O ATOM 780 CB MET B 17 -8.241 11.517 -10.164 1.00 0.00 C ATOM 781 CG MET B 17 -9.357 12.540 -10.387 1.00 0.00 C ATOM 782 SD MET B 17 -10.119 12.275 -11.979 1.00 0.00 S ATOM 783 CE MET B 17 -11.636 13.187 -11.753 1.00 0.00 C ATOM 0 H MET B 17 -7.226 12.493 -8.161 1.00 0.00 H new ATOM 0 HA MET B 17 -9.417 10.838 -8.482 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.271 12.008 -10.244 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.279 10.756 -10.944 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.104 12.453 -9.598 1.00 0.00 H new ATOM 0 HG3 MET B 17 -8.952 13.550 -10.332 1.00 0.00 H new ATOM 0 HE1 MET B 17 -12.236 13.125 -12.661 1.00 0.00 H new ATOM 0 HE2 MET B 17 -12.195 12.763 -10.919 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.405 14.231 -11.541 1.00 0.00 H new ATOM 793 N ASP B 18 -6.551 9.282 -8.929 1.00 0.00 N ATOM 794 CA ASP B 18 -5.932 7.972 -9.036 1.00 0.00 C ATOM 795 C ASP B 18 -6.257 7.156 -7.784 1.00 0.00 C ATOM 796 O ASP B 18 -6.338 5.929 -7.841 1.00 0.00 O ATOM 797 CB ASP B 18 -4.411 8.088 -9.144 1.00 0.00 C ATOM 798 CG ASP B 18 -3.705 6.849 -9.699 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.227 6.296 -10.691 1.00 0.00 O ATOM 800 OD2 ASP B 18 -2.660 6.483 -9.119 1.00 0.00 O ATOM 0 H ASP B 18 -5.895 10.063 -8.906 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.320 7.488 -9.932 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.171 8.940 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.007 8.305 -8.155 1.00 0.00 H new ATOM 805 N VAL B 19 -6.433 7.868 -6.681 1.00 0.00 N ATOM 806 CA VAL B 19 -6.715 7.223 -5.410 1.00 0.00 C ATOM 807 C VAL B 19 -8.198 6.854 -5.348 1.00 0.00 C ATOM 808 O VAL B 19 -8.574 5.886 -4.688 1.00 0.00 O ATOM 809 CB VAL B 19 -6.275 8.126 -4.256 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.638 7.505 -2.905 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.777 8.428 -4.336 1.00 0.00 C ATOM 0 H VAL B 19 -6.386 8.886 -6.641 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.146 6.298 -5.317 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.812 9.070 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.314 8.167 -2.102 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.717 7.365 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.141 6.540 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.491 9.072 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.215 7.496 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.557 8.932 -5.277 1.00 0.00 H new ATOM 821 N VAL B 20 -9.002 7.644 -6.045 1.00 0.00 N ATOM 822 CA VAL B 20 -10.434 7.404 -6.089 1.00 0.00 C ATOM 823 C VAL B 20 -10.706 6.115 -6.867 1.00 0.00 C ATOM 824 O VAL B 20 -11.643 5.381 -6.553 1.00 0.00 O ATOM 825 CB VAL B 20 -11.151 8.620 -6.678 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.578 8.265 -7.100 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.145 9.790 -5.692 1.00 0.00 C ATOM 0 H VAL B 20 -8.688 8.451 -6.584 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.830 7.267 -5.083 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.607 8.930 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.065 9.147 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.549 7.478 -7.854 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.138 7.916 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.661 10.642 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.654 9.495 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.116 10.068 -5.463 1.00 0.00 H new ATOM 837 N GLU B 21 -9.871 5.877 -7.868 1.00 0.00 N ATOM 838 CA GLU B 21 -9.999 4.680 -8.682 1.00 0.00 C ATOM 839 C GLU B 21 -9.666 3.438 -7.854 1.00 0.00 C ATOM 840 O GLU B 21 -10.399 2.451 -7.887 1.00 0.00 O ATOM 841 CB GLU B 21 -9.111 4.765 -9.925 1.00 0.00 C ATOM 842 CG GLU B 21 -9.860 5.413 -11.091 1.00 0.00 C ATOM 843 CD GLU B 21 -10.599 4.360 -11.920 1.00 0.00 C ATOM 844 OE1 GLU B 21 -9.927 3.727 -12.763 1.00 0.00 O ATOM 845 OE2 GLU B 21 -11.819 4.211 -11.692 1.00 0.00 O ATOM 0 H GLU B 21 -9.103 6.493 -8.134 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.033 4.602 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.215 5.343 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -8.782 3.766 -10.210 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.571 6.145 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.156 5.952 -11.725 1.00 0.00 H new ATOM 852 N LEU B 22 -8.559 3.527 -7.130 1.00 0.00 N ATOM 853 CA LEU B 22 -8.151 2.445 -6.251 1.00 0.00 C ATOM 854 C LEU B 22 -9.303 2.097 -5.307 1.00 0.00 C ATOM 855 O LEU B 22 -9.758 0.955 -5.270 1.00 0.00 O ATOM 856 CB LEU B 22 -6.851 2.803 -5.529 1.00 0.00 C ATOM 857 CG LEU B 22 -6.045 1.626 -4.975 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.479 0.768 -6.108 1.00 0.00 C ATOM 859 CD2 LEU B 22 -4.951 2.111 -4.022 1.00 0.00 C ATOM 0 H LEU B 22 -7.933 4.332 -7.135 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.931 1.548 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.217 3.359 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.090 3.474 -4.704 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.718 0.993 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.911 -0.061 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -6.298 0.377 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.825 1.376 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.393 1.255 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.274 2.778 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.406 2.646 -3.188 1.00 0.00 H new ATOM 871 N ILE B 23 -9.744 3.104 -4.567 1.00 0.00 N ATOM 872 CA ILE B 23 -10.802 2.909 -3.591 1.00 0.00 C ATOM 873 C ILE B 23 -12.006 2.256 -4.273 1.00 0.00 C ATOM 874 O ILE B 23 -12.639 1.368 -3.706 1.00 0.00 O ATOM 875 CB ILE B 23 -11.133 4.227 -2.888 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.991 4.659 -1.966 1.00 0.00 C ATOM 877 CG2 ILE B 23 -12.467 4.132 -2.144 1.00 0.00 C ATOM 878 CD1 ILE B 23 -10.053 6.161 -1.683 1.00 0.00 C ATOM 0 H ILE B 23 -9.387 4.058 -4.624 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.474 2.229 -2.805 1.00 0.00 H new ATOM 0 HB ILE B 23 -11.243 5.001 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -10.047 4.106 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.034 4.411 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -12.678 5.082 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -13.263 3.905 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -12.411 3.342 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -9.230 6.442 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.972 6.711 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -11.001 6.402 -1.201 1.00 0.00 H new ATOM 890 N SER B 24 -12.284 2.722 -5.482 1.00 0.00 N ATOM 891 CA SER B 24 -13.437 2.239 -6.223 1.00 0.00 C ATOM 892 C SER B 24 -13.252 0.760 -6.570 1.00 0.00 C ATOM 893 O SER B 24 -14.211 -0.011 -6.547 1.00 0.00 O ATOM 894 CB SER B 24 -13.658 3.059 -7.495 1.00 0.00 C ATOM 895 OG SER B 24 -14.612 4.099 -7.301 1.00 0.00 O ATOM 0 H SER B 24 -11.731 3.429 -5.967 1.00 0.00 H new ATOM 0 HA SER B 24 -14.320 2.351 -5.594 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.711 3.492 -7.817 1.00 0.00 H new ATOM 0 HB3 SER B 24 -13.996 2.402 -8.296 1.00 0.00 H new ATOM 0 HG SER B 24 -14.724 4.600 -8.136 1.00 0.00 H new ATOM 901 N ALA B 25 -12.014 0.409 -6.884 1.00 0.00 N ATOM 902 CA ALA B 25 -11.697 -0.958 -7.263 1.00 0.00 C ATOM 903 C ALA B 25 -12.036 -1.896 -6.103 1.00 0.00 C ATOM 904 O ALA B 25 -12.946 -2.717 -6.210 1.00 0.00 O ATOM 905 CB ALA B 25 -10.226 -1.046 -7.673 1.00 0.00 C ATOM 0 H ALA B 25 -11.218 1.047 -6.884 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.294 -1.266 -8.121 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -9.988 -2.071 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.044 -0.383 -8.519 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.596 -0.746 -6.835 1.00 0.00 H new ATOM 911 N MET B 26 -11.286 -1.743 -5.022 1.00 0.00 N ATOM 912 CA MET B 26 -11.479 -2.583 -3.852 1.00 0.00 C ATOM 913 C MET B 26 -12.953 -2.624 -3.443 1.00 0.00 C ATOM 914 O MET B 26 -13.465 -3.674 -3.059 1.00 0.00 O ATOM 915 CB MET B 26 -10.642 -2.043 -2.691 1.00 0.00 C ATOM 916 CG MET B 26 -9.148 -2.244 -2.952 1.00 0.00 C ATOM 917 SD MET B 26 -8.205 -1.728 -1.527 1.00 0.00 S ATOM 918 CE MET B 26 -6.619 -1.437 -2.294 1.00 0.00 C ATOM 0 H MET B 26 -10.543 -1.050 -4.931 1.00 0.00 H new ATOM 0 HA MET B 26 -11.162 -3.596 -4.100 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.851 -0.982 -2.550 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.925 -2.549 -1.768 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.947 -3.292 -3.172 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.843 -1.671 -3.827 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.925 -1.038 -1.554 1.00 0.00 H new ATOM 0 HE2 MET B 26 -6.229 -2.375 -2.690 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.734 -0.720 -3.107 1.00 0.00 H new ATOM 928 N GLU B 27 -13.594 -1.469 -3.541 1.00 0.00 N ATOM 929 CA GLU B 27 -14.993 -1.354 -3.166 1.00 0.00 C ATOM 930 C GLU B 27 -15.827 -2.402 -3.904 1.00 0.00 C ATOM 931 O GLU B 27 -16.657 -3.080 -3.299 1.00 0.00 O ATOM 932 CB GLU B 27 -15.519 0.056 -3.436 1.00 0.00 C ATOM 933 CG GLU B 27 -15.401 0.935 -2.189 1.00 0.00 C ATOM 934 CD GLU B 27 -16.254 2.197 -2.324 1.00 0.00 C ATOM 935 OE1 GLU B 27 -17.353 2.080 -2.909 1.00 0.00 O ATOM 936 OE2 GLU B 27 -15.789 3.252 -1.840 1.00 0.00 O ATOM 0 H GLU B 27 -13.170 -0.604 -3.875 1.00 0.00 H new ATOM 0 HA GLU B 27 -15.079 -1.538 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.959 0.506 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.561 0.005 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -15.716 0.371 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -14.358 1.212 -2.032 1.00 0.00 H new ATOM 943 N GLU B 28 -15.579 -2.503 -5.202 1.00 0.00 N ATOM 944 CA GLU B 28 -16.333 -3.421 -6.039 1.00 0.00 C ATOM 945 C GLU B 28 -15.793 -4.844 -5.887 1.00 0.00 C ATOM 946 O GLU B 28 -16.563 -5.793 -5.747 1.00 0.00 O ATOM 947 CB GLU B 28 -16.305 -2.977 -7.503 1.00 0.00 C ATOM 948 CG GLU B 28 -17.534 -3.490 -8.256 1.00 0.00 C ATOM 949 CD GLU B 28 -17.134 -4.499 -9.334 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.543 -5.532 -8.954 1.00 0.00 O ATOM 951 OE2 GLU B 28 -17.430 -4.214 -10.515 1.00 0.00 O ATOM 0 H GLU B 28 -14.866 -1.964 -5.694 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.372 -3.411 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.270 -1.889 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.399 -3.349 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -18.226 -3.956 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.060 -2.652 -8.714 1.00 0.00 H new ATOM 958 N LYS B 29 -14.472 -4.948 -5.919 1.00 0.00 N ATOM 959 CA LYS B 29 -13.821 -6.243 -5.824 1.00 0.00 C ATOM 960 C LYS B 29 -14.311 -6.965 -4.567 1.00 0.00 C ATOM 961 O LYS B 29 -15.036 -7.954 -4.658 1.00 0.00 O ATOM 962 CB LYS B 29 -12.301 -6.085 -5.889 1.00 0.00 C ATOM 963 CG LYS B 29 -11.600 -7.430 -5.689 1.00 0.00 C ATOM 964 CD LYS B 29 -11.456 -8.176 -7.017 1.00 0.00 C ATOM 965 CE LYS B 29 -9.983 -8.412 -7.356 1.00 0.00 C ATOM 966 NZ LYS B 29 -9.751 -8.241 -8.808 1.00 0.00 N ATOM 0 H LYS B 29 -13.835 -4.156 -6.009 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.090 -6.867 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.017 -5.663 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.972 -5.382 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.616 -7.269 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.168 -8.039 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.977 -9.132 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.929 -7.602 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.359 -7.714 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.690 -9.417 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -8.746 -8.405 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.332 -8.924 -9.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.011 -7.274 -9.090 1.00 0.00 H new ATOM 980 N PHE B 30 -13.896 -6.442 -3.423 1.00 0.00 N ATOM 981 CA PHE B 30 -14.240 -7.054 -2.151 1.00 0.00 C ATOM 982 C PHE B 30 -15.697 -6.769 -1.782 1.00 0.00 C ATOM 983 O PHE B 30 -16.199 -7.279 -0.781 1.00 0.00 O ATOM 984 CB PHE B 30 -13.327 -6.431 -1.093 1.00 0.00 C ATOM 985 CG PHE B 30 -11.839 -6.707 -1.315 1.00 0.00 C ATOM 986 CD1 PHE B 30 -11.297 -7.885 -0.903 1.00 0.00 C ATOM 987 CD2 PHE B 30 -11.058 -5.776 -1.924 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.915 -8.141 -1.109 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.676 -6.032 -2.130 1.00 0.00 C ATOM 990 CZ PHE B 30 -9.134 -7.209 -1.718 1.00 0.00 C ATOM 0 H PHE B 30 -13.324 -5.600 -3.350 1.00 0.00 H new ATOM 0 HA PHE B 30 -14.113 -8.135 -2.212 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -13.488 -5.353 -1.078 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -13.614 -6.809 -0.112 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.917 -8.625 -0.420 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.488 -4.841 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -9.484 -9.076 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -9.056 -5.292 -2.614 1.00 0.00 H new ATOM 0 HZ PHE B 30 -8.083 -7.404 -1.874 1.00 0.00 H new