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 Single : A 3 THR OG1 : rot -45:sc= 0.166 USER MOD Single : A 4 LYS NZ :NH3+ -145:sc= 0.965 (180deg=0.293) USER MOD Single : A 6 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.7!) 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 177:sc= -0.754 (180deg=-0.787) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -43:sc= 0.41 USER MOD Single : B 4 LYS NZ :NH3+ -179:sc= 1.01 (180deg=1.01) USER MOD Single : B 6 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0936 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 88:sc= 0.0135 USER MOD Single : B 26 MET CE :methyl 180:sc= -2.47! (180deg=-2.47!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.463 -0.406 -11.767 1.00 0.00 N ATOM 32 CA THR A 3 -0.884 -0.037 -12.168 1.00 0.00 C ATOM 33 C THR A 3 -1.838 -0.123 -10.976 1.00 0.00 C ATOM 34 O THR A 3 -1.553 -0.811 -9.997 1.00 0.00 O ATOM 35 CB THR A 3 -1.291 -0.934 -13.338 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.087 -2.257 -12.849 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.329 -0.824 -14.524 1.00 0.00 C ATOM 0 HA THR A 3 -0.927 0.999 -12.504 1.00 0.00 H new ATOM 0 HB THR A 3 -2.298 -0.672 -13.662 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.223 -2.306 -12.388 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.664 -1.481 -15.327 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.309 0.205 -14.882 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.672 -1.118 -14.209 1.00 0.00 H new ATOM 45 N LYS A 4 -2.951 0.586 -11.097 1.00 0.00 N ATOM 46 CA LYS A 4 -3.949 0.597 -10.041 1.00 0.00 C ATOM 47 C LYS A 4 -4.353 -0.841 -9.711 1.00 0.00 C ATOM 48 O LYS A 4 -4.422 -1.218 -8.542 1.00 0.00 O ATOM 49 CB LYS A 4 -5.127 1.494 -10.428 1.00 0.00 C ATOM 50 CG LYS A 4 -4.834 2.958 -10.096 1.00 0.00 C ATOM 51 CD LYS A 4 -5.969 3.866 -10.573 1.00 0.00 C ATOM 52 CE LYS A 4 -6.012 3.934 -12.101 1.00 0.00 C ATOM 53 NZ LYS A 4 -7.199 3.217 -12.619 1.00 0.00 N ATOM 0 H LYS A 4 -3.183 1.157 -11.910 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.535 1.028 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.331 1.393 -11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.024 1.170 -9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.701 3.071 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.899 3.261 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.921 3.493 -10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.834 4.868 -10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.039 4.975 -12.424 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.105 3.495 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.961 2.758 -13.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.497 2.496 -11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.975 3.893 -12.769 1.00 0.00 H new ATOM 67 N ASP A 5 -4.609 -1.606 -10.763 1.00 0.00 N ATOM 68 CA ASP A 5 -5.056 -2.979 -10.598 1.00 0.00 C ATOM 69 C ASP A 5 -4.018 -3.754 -9.784 1.00 0.00 C ATOM 70 O ASP A 5 -4.369 -4.478 -8.853 1.00 0.00 O ATOM 71 CB ASP A 5 -5.209 -3.674 -11.952 1.00 0.00 C ATOM 72 CG ASP A 5 -6.501 -3.346 -12.705 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.564 -3.382 -12.049 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.395 -3.068 -13.919 1.00 0.00 O ATOM 0 H ASP A 5 -4.515 -1.301 -11.732 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.020 -2.961 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.361 -3.403 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.160 -4.752 -11.798 1.00 0.00 H new ATOM 79 N GLN A 6 -2.761 -3.576 -10.164 1.00 0.00 N ATOM 80 CA GLN A 6 -1.675 -4.293 -9.517 1.00 0.00 C ATOM 81 C GLN A 6 -1.723 -4.075 -8.003 1.00 0.00 C ATOM 82 O GLN A 6 -1.260 -4.918 -7.236 1.00 0.00 O ATOM 83 CB GLN A 6 -0.321 -3.869 -10.089 1.00 0.00 C ATOM 84 CG GLN A 6 0.013 -4.663 -11.353 1.00 0.00 C ATOM 85 CD GLN A 6 0.507 -6.068 -11.004 1.00 0.00 C ATOM 86 OE1 GLN A 6 0.939 -6.345 -9.897 1.00 0.00 O ATOM 87 NE2 GLN A 6 0.418 -6.938 -12.006 1.00 0.00 N ATOM 0 H GLN A 6 -2.470 -2.946 -10.912 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.799 -5.358 -9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.337 -2.803 -10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.458 -4.023 -9.342 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.871 -4.732 -11.988 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.777 -4.137 -11.926 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.047 -6.641 -12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.721 -7.903 -11.872 1.00 0.00 H new ATOM 96 N ILE A 7 -2.288 -2.940 -7.618 1.00 0.00 N ATOM 97 CA ILE A 7 -2.381 -2.590 -6.211 1.00 0.00 C ATOM 98 C ILE A 7 -3.567 -3.327 -5.584 1.00 0.00 C ATOM 99 O ILE A 7 -3.538 -3.664 -4.401 1.00 0.00 O ATOM 100 CB ILE A 7 -2.441 -1.071 -6.039 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.221 -0.400 -6.674 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.602 -0.691 -4.566 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.001 -0.499 -5.756 1.00 0.00 C ATOM 0 H ILE A 7 -2.686 -2.251 -8.256 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.486 -2.913 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.322 -0.702 -6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.999 -0.872 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.443 0.647 -6.878 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.642 0.394 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.524 -1.123 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.755 -1.073 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.852 -0.014 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.218 -0.005 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.233 -1.548 -5.573 1.00 0.00 H new ATOM 115 N ILE A 8 -4.582 -3.554 -6.404 1.00 0.00 N ATOM 116 CA ILE A 8 -5.781 -4.231 -5.941 1.00 0.00 C ATOM 117 C ILE A 8 -5.415 -5.638 -5.463 1.00 0.00 C ATOM 118 O ILE A 8 -5.765 -6.030 -4.351 1.00 0.00 O ATOM 119 CB ILE A 8 -6.860 -4.212 -7.025 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.108 -2.787 -7.527 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.147 -4.876 -6.531 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.626 -1.891 -6.401 1.00 0.00 C ATOM 0 H ILE A 8 -4.599 -3.281 -7.387 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.209 -3.705 -5.088 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.501 -4.796 -7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.183 -2.373 -7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.830 -2.806 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.897 -4.849 -7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.942 -5.912 -6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.520 -4.341 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.794 -0.885 -6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.563 -2.294 -6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.891 -1.855 -5.597 1.00 0.00 H new ATOM 134 N GLU A 9 -4.715 -6.358 -6.327 1.00 0.00 N ATOM 135 CA GLU A 9 -4.299 -7.713 -6.008 1.00 0.00 C ATOM 136 C GLU A 9 -3.337 -7.707 -4.818 1.00 0.00 C ATOM 137 O GLU A 9 -3.127 -8.736 -4.179 1.00 0.00 O ATOM 138 CB GLU A 9 -3.665 -8.393 -7.223 1.00 0.00 C ATOM 139 CG GLU A 9 -2.371 -7.687 -7.632 1.00 0.00 C ATOM 140 CD GLU A 9 -1.636 -8.476 -8.718 1.00 0.00 C ATOM 141 OE1 GLU A 9 -1.962 -8.249 -9.903 1.00 0.00 O ATOM 142 OE2 GLU A 9 -0.765 -9.288 -8.338 1.00 0.00 O ATOM 0 H GLU A 9 -4.425 -6.029 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.183 -8.288 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.456 -9.438 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.367 -8.385 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.599 -6.685 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.725 -7.571 -6.762 1.00 0.00 H new ATOM 149 N ALA A 10 -2.777 -6.535 -4.558 1.00 0.00 N ATOM 150 CA ALA A 10 -1.812 -6.389 -3.481 1.00 0.00 C ATOM 151 C ALA A 10 -2.549 -6.378 -2.140 1.00 0.00 C ATOM 152 O ALA A 10 -2.098 -6.993 -1.175 1.00 0.00 O ATOM 153 CB ALA A 10 -0.986 -5.120 -3.703 1.00 0.00 C ATOM 0 H ALA A 10 -2.973 -5.677 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.119 -7.231 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.262 -5.011 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.459 -5.191 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.647 -4.253 -3.718 1.00 0.00 H new ATOM 159 N VAL A 11 -3.670 -5.672 -2.123 1.00 0.00 N ATOM 160 CA VAL A 11 -4.476 -5.578 -0.918 1.00 0.00 C ATOM 161 C VAL A 11 -5.134 -6.931 -0.642 1.00 0.00 C ATOM 162 O VAL A 11 -5.497 -7.229 0.495 1.00 0.00 O ATOM 163 CB VAL A 11 -5.488 -4.438 -1.053 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.581 -4.545 0.012 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.793 -3.077 -0.991 1.00 0.00 C ATOM 0 H VAL A 11 -4.039 -5.160 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.850 -5.340 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.963 -4.527 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.287 -3.723 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.107 -5.493 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.130 -4.495 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.535 -2.285 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.278 -2.975 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.070 -3.000 -1.803 1.00 0.00 H new ATOM 175 N ALA A 12 -5.267 -7.716 -1.701 1.00 0.00 N ATOM 176 CA ALA A 12 -5.876 -9.030 -1.588 1.00 0.00 C ATOM 177 C ALA A 12 -4.786 -10.071 -1.324 1.00 0.00 C ATOM 178 O ALA A 12 -5.070 -11.264 -1.237 1.00 0.00 O ATOM 179 CB ALA A 12 -6.677 -9.333 -2.855 1.00 0.00 C ATOM 0 H ALA A 12 -4.963 -7.467 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.571 -9.060 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.134 -10.319 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.457 -8.582 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.012 -9.315 -3.719 1.00 0.00 H new ATOM 185 N ALA A 13 -3.561 -9.580 -1.203 1.00 0.00 N ATOM 186 CA ALA A 13 -2.428 -10.453 -0.945 1.00 0.00 C ATOM 187 C ALA A 13 -2.109 -10.438 0.551 1.00 0.00 C ATOM 188 O ALA A 13 -1.574 -11.408 1.085 1.00 0.00 O ATOM 189 CB ALA A 13 -1.238 -10.010 -1.799 1.00 0.00 C ATOM 0 H ALA A 13 -3.328 -8.590 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.664 -11.481 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.388 -10.664 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.506 -10.066 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.971 -8.984 -1.546 1.00 0.00 H new ATOM 195 N MET A 14 -2.450 -9.326 1.186 1.00 0.00 N ATOM 196 CA MET A 14 -2.196 -9.167 2.607 1.00 0.00 C ATOM 197 C MET A 14 -3.421 -9.571 3.432 1.00 0.00 C ATOM 198 O MET A 14 -4.487 -9.832 2.878 1.00 0.00 O ATOM 199 CB MET A 14 -1.840 -7.709 2.903 1.00 0.00 C ATOM 200 CG MET A 14 -0.511 -7.326 2.249 1.00 0.00 C ATOM 201 SD MET A 14 -0.742 -5.915 1.179 1.00 0.00 S ATOM 202 CE MET A 14 -0.560 -4.594 2.365 1.00 0.00 C ATOM 0 H MET A 14 -2.900 -8.526 0.741 1.00 0.00 H new ATOM 0 HA MET A 14 -1.365 -9.816 2.883 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.632 -7.056 2.536 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.776 -7.558 3.981 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.228 -7.094 3.016 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.122 -8.168 1.676 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.676 -3.634 1.861 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.321 -4.692 3.139 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.429 -4.647 2.820 1.00 0.00 H new ATOM 212 N SER A 15 -3.226 -9.610 4.741 1.00 0.00 N ATOM 213 CA SER A 15 -4.297 -9.992 5.646 1.00 0.00 C ATOM 214 C SER A 15 -5.240 -8.808 5.869 1.00 0.00 C ATOM 215 O SER A 15 -4.879 -7.663 5.603 1.00 0.00 O ATOM 216 CB SER A 15 -3.739 -10.485 6.983 1.00 0.00 C ATOM 217 OG SER A 15 -2.446 -9.948 7.253 1.00 0.00 O ATOM 0 H SER A 15 -2.342 -9.383 5.197 1.00 0.00 H new ATOM 0 HA SER A 15 -4.853 -10.811 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.422 -10.207 7.786 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.685 -11.574 6.974 1.00 0.00 H new ATOM 0 HG SER A 15 -2.125 -10.285 8.116 1.00 0.00 H new ATOM 223 N VAL A 16 -6.432 -9.126 6.354 1.00 0.00 N ATOM 224 CA VAL A 16 -7.429 -8.102 6.618 1.00 0.00 C ATOM 225 C VAL A 16 -6.904 -7.149 7.692 1.00 0.00 C ATOM 226 O VAL A 16 -7.025 -5.932 7.561 1.00 0.00 O ATOM 227 CB VAL A 16 -8.760 -8.755 6.996 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.761 -7.709 7.493 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.335 -9.550 5.822 1.00 0.00 C ATOM 0 H VAL A 16 -6.729 -10.077 6.571 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.615 -7.509 5.722 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.571 -9.453 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.699 -8.199 7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.356 -7.206 8.371 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.942 -6.976 6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.281 -10.004 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.502 -8.882 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.633 -10.332 5.533 1.00 0.00 H new ATOM 239 N MET A 17 -6.332 -7.738 8.732 1.00 0.00 N ATOM 240 CA MET A 17 -5.772 -6.955 9.821 1.00 0.00 C ATOM 241 C MET A 17 -4.669 -6.023 9.316 1.00 0.00 C ATOM 242 O MET A 17 -4.640 -4.844 9.666 1.00 0.00 O ATOM 243 CB MET A 17 -5.199 -7.895 10.884 1.00 0.00 C ATOM 244 CG MET A 17 -6.253 -8.236 11.940 1.00 0.00 C ATOM 245 SD MET A 17 -7.344 -9.507 11.325 1.00 0.00 S ATOM 246 CE MET A 17 -8.914 -8.861 11.876 1.00 0.00 C ATOM 0 H MET A 17 -6.244 -8.748 8.844 1.00 0.00 H new ATOM 0 HA MET A 17 -6.567 -6.346 10.252 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.843 -8.810 10.411 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.338 -7.428 11.362 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.767 -8.574 12.855 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.827 -7.345 12.194 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.713 -9.538 11.573 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.909 -8.769 12.962 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.081 -7.881 11.430 1.00 0.00 H new ATOM 256 N ASP A 18 -3.790 -6.586 8.501 1.00 0.00 N ATOM 257 CA ASP A 18 -2.676 -5.825 7.961 1.00 0.00 C ATOM 258 C ASP A 18 -3.216 -4.669 7.117 1.00 0.00 C ATOM 259 O ASP A 18 -2.585 -3.617 7.024 1.00 0.00 O ATOM 260 CB ASP A 18 -1.798 -6.697 7.062 1.00 0.00 C ATOM 261 CG ASP A 18 -0.538 -6.012 6.527 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.698 -5.141 5.644 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.555 -6.375 7.013 1.00 0.00 O ATOM 0 H ASP A 18 -3.826 -7.560 8.201 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.082 -5.457 8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.501 -7.585 7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.395 -7.037 6.216 1.00 0.00 H new ATOM 268 N VAL A 19 -4.377 -4.903 6.524 1.00 0.00 N ATOM 269 CA VAL A 19 -4.999 -3.901 5.675 1.00 0.00 C ATOM 270 C VAL A 19 -5.657 -2.833 6.551 1.00 0.00 C ATOM 271 O VAL A 19 -5.669 -1.655 6.197 1.00 0.00 O ATOM 272 CB VAL A 19 -5.980 -4.569 4.709 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.915 -3.536 4.076 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.236 -5.367 3.637 1.00 0.00 C ATOM 0 H VAL A 19 -4.904 -5.772 6.614 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.249 -3.402 5.062 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.591 -5.267 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.602 -4.037 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.483 -3.032 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.327 -2.802 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.956 -5.832 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.588 -4.699 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.633 -6.140 4.112 1.00 0.00 H new ATOM 284 N VAL A 20 -6.188 -3.283 7.679 1.00 0.00 N ATOM 285 CA VAL A 20 -6.816 -2.377 8.624 1.00 0.00 C ATOM 286 C VAL A 20 -5.793 -1.337 9.085 1.00 0.00 C ATOM 287 O VAL A 20 -6.087 -0.143 9.117 1.00 0.00 O ATOM 288 CB VAL A 20 -7.427 -3.169 9.782 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.720 -2.257 10.975 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.688 -3.910 9.335 1.00 0.00 C ATOM 0 H VAL A 20 -6.196 -4.264 7.959 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.635 -1.838 8.149 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.697 -3.913 10.101 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.154 -2.845 11.784 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.793 -1.796 11.317 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.422 -1.479 10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.102 -4.465 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.425 -3.191 8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.437 -4.603 8.532 1.00 0.00 H new ATOM 300 N GLU A 21 -4.612 -1.829 9.431 1.00 0.00 N ATOM 301 CA GLU A 21 -3.538 -0.955 9.872 1.00 0.00 C ATOM 302 C GLU A 21 -3.185 0.049 8.772 1.00 0.00 C ATOM 303 O GLU A 21 -2.992 1.232 9.046 1.00 0.00 O ATOM 304 CB GLU A 21 -2.309 -1.765 10.289 1.00 0.00 C ATOM 305 CG GLU A 21 -2.505 -2.383 11.675 1.00 0.00 C ATOM 306 CD GLU A 21 -2.479 -1.308 12.764 1.00 0.00 C ATOM 307 OE1 GLU A 21 -1.454 -0.595 12.833 1.00 0.00 O ATOM 308 OE2 GLU A 21 -3.484 -1.222 13.502 1.00 0.00 O ATOM 0 H GLU A 21 -4.376 -2.821 9.415 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.882 -0.401 10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.123 -2.552 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.429 -1.121 10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.455 -2.916 11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.721 -3.116 11.864 1.00 0.00 H new ATOM 315 N LEU A 22 -3.111 -0.461 7.551 1.00 0.00 N ATOM 316 CA LEU A 22 -2.818 0.383 6.405 1.00 0.00 C ATOM 317 C LEU A 22 -3.845 1.515 6.335 1.00 0.00 C ATOM 318 O LEU A 22 -3.498 2.684 6.500 1.00 0.00 O ATOM 319 CB LEU A 22 -2.740 -0.457 5.128 1.00 0.00 C ATOM 320 CG LEU A 22 -2.357 0.296 3.853 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.269 -0.452 3.080 1.00 0.00 C ATOM 322 CD2 LEU A 22 -3.588 0.572 2.987 1.00 0.00 C ATOM 0 H LEU A 22 -3.249 -1.447 7.331 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.838 0.848 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.016 -1.256 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.708 -0.932 4.969 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.942 1.262 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.015 0.105 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.382 -0.553 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.633 -1.442 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.287 1.108 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.055 -0.372 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.300 1.177 3.549 1.00 0.00 H new ATOM 334 N ILE A 23 -5.088 1.129 6.089 1.00 0.00 N ATOM 335 CA ILE A 23 -6.162 2.100 5.964 1.00 0.00 C ATOM 336 C ILE A 23 -6.079 3.098 7.121 1.00 0.00 C ATOM 337 O ILE A 23 -6.257 4.299 6.924 1.00 0.00 O ATOM 338 CB ILE A 23 -7.514 1.392 5.858 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.660 0.688 4.507 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.665 2.365 6.124 1.00 0.00 C ATOM 341 CD1 ILE A 23 -7.582 1.691 3.355 1.00 0.00 C ATOM 0 H ILE A 23 -5.376 0.157 5.973 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.054 2.671 5.042 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.558 0.623 6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.875 -0.060 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.612 0.159 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.615 1.836 6.042 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.566 2.780 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.635 3.172 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.689 1.165 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.383 2.424 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.619 2.201 3.381 1.00 0.00 H new ATOM 353 N SER A 24 -5.810 2.563 8.303 1.00 0.00 N ATOM 354 CA SER A 24 -5.748 3.385 9.500 1.00 0.00 C ATOM 355 C SER A 24 -4.581 4.369 9.399 1.00 0.00 C ATOM 356 O SER A 24 -4.693 5.517 9.827 1.00 0.00 O ATOM 357 CB SER A 24 -5.607 2.522 10.755 1.00 0.00 C ATOM 358 OG SER A 24 -6.873 2.122 11.273 1.00 0.00 O ATOM 0 H SER A 24 -5.633 1.571 8.457 1.00 0.00 H new ATOM 0 HA SER A 24 -6.681 3.944 9.579 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.015 1.637 10.522 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.062 3.078 11.518 1.00 0.00 H new ATOM 0 HG SER A 24 -6.740 1.571 12.073 1.00 0.00 H new ATOM 364 N ALA A 25 -3.488 3.885 8.829 1.00 0.00 N ATOM 365 CA ALA A 25 -2.307 4.713 8.649 1.00 0.00 C ATOM 366 C ALA A 25 -2.673 5.939 7.811 1.00 0.00 C ATOM 367 O ALA A 25 -2.611 7.068 8.296 1.00 0.00 O ATOM 368 CB ALA A 25 -1.192 3.882 8.011 1.00 0.00 C ATOM 0 H ALA A 25 -3.395 2.929 8.485 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.938 5.069 9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.307 4.503 7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.949 3.040 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.525 3.510 7.042 1.00 0.00 H new ATOM 374 N MET A 26 -3.046 5.676 6.567 1.00 0.00 N ATOM 375 CA MET A 26 -3.401 6.746 5.650 1.00 0.00 C ATOM 376 C MET A 26 -4.413 7.701 6.288 1.00 0.00 C ATOM 377 O MET A 26 -4.312 8.916 6.126 1.00 0.00 O ATOM 378 CB MET A 26 -3.996 6.149 4.374 1.00 0.00 C ATOM 379 CG MET A 26 -2.926 5.421 3.558 1.00 0.00 C ATOM 380 SD MET A 26 -3.691 4.479 2.249 1.00 0.00 S ATOM 381 CE MET A 26 -2.260 3.629 1.602 1.00 0.00 C ATOM 0 H MET A 26 -3.110 4.738 6.173 1.00 0.00 H new ATOM 0 HA MET A 26 -2.499 7.309 5.411 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.796 5.455 4.632 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.442 6.940 3.772 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.225 6.142 3.137 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.351 4.759 4.205 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.568 2.951 0.806 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.553 4.357 1.205 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.784 3.059 2.400 1.00 0.00 H new ATOM 391 N GLU A 27 -5.365 7.114 6.998 1.00 0.00 N ATOM 392 CA GLU A 27 -6.397 7.897 7.657 1.00 0.00 C ATOM 393 C GLU A 27 -5.766 9.021 8.482 1.00 0.00 C ATOM 394 O GLU A 27 -6.238 10.156 8.454 1.00 0.00 O ATOM 395 CB GLU A 27 -7.286 7.009 8.529 1.00 0.00 C ATOM 396 CG GLU A 27 -8.541 6.575 7.770 1.00 0.00 C ATOM 397 CD GLU A 27 -9.559 5.932 8.714 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.143 5.017 9.458 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.729 6.369 8.671 1.00 0.00 O ATOM 0 H GLU A 27 -5.444 6.106 7.131 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.029 8.347 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.727 6.129 8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.571 7.549 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.990 7.438 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.270 5.868 6.986 1.00 0.00 H new ATOM 406 N GLU A 28 -4.708 8.664 9.196 1.00 0.00 N ATOM 407 CA GLU A 28 -4.028 9.620 10.053 1.00 0.00 C ATOM 408 C GLU A 28 -3.102 10.512 9.223 1.00 0.00 C ATOM 409 O GLU A 28 -3.082 11.729 9.401 1.00 0.00 O ATOM 410 CB GLU A 28 -3.253 8.907 11.163 1.00 0.00 C ATOM 411 CG GLU A 28 -2.525 9.913 12.057 1.00 0.00 C ATOM 412 CD GLU A 28 -2.217 9.305 13.427 1.00 0.00 C ATOM 413 OE1 GLU A 28 -3.126 9.347 14.284 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.079 8.813 13.587 1.00 0.00 O ATOM 0 H GLU A 28 -4.306 7.727 9.198 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.779 10.251 10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.939 8.310 11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.532 8.218 10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.598 10.227 11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.138 10.806 12.181 1.00 0.00 H new ATOM 421 N LYS A 29 -2.357 9.871 8.334 1.00 0.00 N ATOM 422 CA LYS A 29 -1.406 10.587 7.500 1.00 0.00 C ATOM 423 C LYS A 29 -2.138 11.686 6.728 1.00 0.00 C ATOM 424 O LYS A 29 -1.896 12.872 6.950 1.00 0.00 O ATOM 425 CB LYS A 29 -0.639 9.612 6.605 1.00 0.00 C ATOM 426 CG LYS A 29 0.297 10.361 5.654 1.00 0.00 C ATOM 427 CD LYS A 29 1.672 10.570 6.290 1.00 0.00 C ATOM 428 CE LYS A 29 2.625 11.268 5.318 1.00 0.00 C ATOM 429 NZ LYS A 29 3.846 11.719 6.023 1.00 0.00 N ATOM 0 H LYS A 29 -2.393 8.864 8.173 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.652 11.078 8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.062 8.924 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.343 9.010 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.403 9.800 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.138 11.326 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.570 11.166 7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.090 9.608 6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.895 10.586 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.126 12.122 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.482 12.191 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.585 12.386 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.330 10.898 6.439 1.00 0.00 H new ATOM 443 N PHE A 30 -3.018 11.254 5.837 1.00 0.00 N ATOM 444 CA PHE A 30 -3.775 12.186 5.019 1.00 0.00 C ATOM 445 C PHE A 30 -4.862 12.880 5.842 1.00 0.00 C ATOM 446 O PHE A 30 -5.591 13.726 5.326 1.00 0.00 O ATOM 447 CB PHE A 30 -4.437 11.370 3.907 1.00 0.00 C ATOM 448 CG PHE A 30 -3.462 10.864 2.841 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.134 11.659 1.787 1.00 0.00 C ATOM 450 CD2 PHE A 30 -2.923 9.620 2.949 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.230 11.190 0.799 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.018 9.151 1.960 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.690 9.946 0.906 1.00 0.00 C ATOM 0 H PHE A 30 -3.224 10.270 5.664 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.112 12.954 4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.948 10.516 4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.200 11.982 3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.562 12.647 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.183 8.989 3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.971 11.821 -0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.590 8.163 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.001 9.590 0.154 1.00 0.00 H new ATOM 463 N GLY A 31 -4.936 12.497 7.108 1.00 0.00 N ATOM 464 CA GLY A 31 -5.914 13.081 8.010 1.00 0.00 C ATOM 465 C GLY A 31 -7.291 13.162 7.349 1.00 0.00 C ATOM 466 O GLY A 31 -7.904 14.227 7.310 1.00 0.00 O ATOM 0 H GLY A 31 -4.335 11.790 7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.978 12.483 8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.590 14.079 8.307 1.00 0.00 H new ATOM 568 N THR B 3 6.542 -2.322 3.215 1.00 0.00 N ATOM 569 CA THR B 3 5.903 -1.946 4.464 1.00 0.00 C ATOM 570 C THR B 3 4.646 -1.117 4.191 1.00 0.00 C ATOM 571 O THR B 3 4.506 -0.530 3.119 1.00 0.00 O ATOM 572 CB THR B 3 6.937 -1.217 5.323 1.00 0.00 C ATOM 573 OG1 THR B 3 7.427 -0.182 4.475 1.00 0.00 O ATOM 574 CG2 THR B 3 8.169 -2.076 5.613 1.00 0.00 C ATOM 0 HA THR B 3 5.563 -2.823 5.014 1.00 0.00 H new ATOM 0 HB THR B 3 6.477 -0.914 6.263 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.571 -0.538 3.574 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.871 -1.510 6.226 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.867 -2.978 6.146 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.649 -2.353 4.674 1.00 0.00 H new ATOM 582 N LYS B 4 3.764 -1.095 5.179 1.00 0.00 N ATOM 583 CA LYS B 4 2.521 -0.352 5.056 1.00 0.00 C ATOM 584 C LYS B 4 2.836 1.116 4.760 1.00 0.00 C ATOM 585 O LYS B 4 2.213 1.725 3.891 1.00 0.00 O ATOM 586 CB LYS B 4 1.651 -0.555 6.298 1.00 0.00 C ATOM 587 CG LYS B 4 0.780 -1.806 6.159 1.00 0.00 C ATOM 588 CD LYS B 4 1.427 -3.005 6.855 1.00 0.00 C ATOM 589 CE LYS B 4 0.856 -3.195 8.262 1.00 0.00 C ATOM 590 NZ LYS B 4 1.425 -4.406 8.893 1.00 0.00 N ATOM 0 H LYS B 4 3.885 -1.580 6.068 1.00 0.00 H new ATOM 0 HA LYS B 4 1.934 -0.728 4.218 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.285 -0.645 7.180 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.017 0.319 6.449 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -0.204 -1.618 6.590 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.628 -2.032 5.104 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.259 -3.906 6.266 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.506 -2.858 6.913 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.080 -2.320 8.873 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -0.230 -3.280 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.014 -4.529 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.205 -5.238 8.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.457 -4.303 8.974 1.00 0.00 H new ATOM 604 N ASP B 5 3.803 1.641 5.498 1.00 0.00 N ATOM 605 CA ASP B 5 4.177 3.038 5.356 1.00 0.00 C ATOM 606 C ASP B 5 4.593 3.306 3.909 1.00 0.00 C ATOM 607 O ASP B 5 4.217 4.324 3.330 1.00 0.00 O ATOM 608 CB ASP B 5 5.361 3.385 6.260 1.00 0.00 C ATOM 609 CG ASP B 5 4.999 3.679 7.717 1.00 0.00 C ATOM 610 OD1 ASP B 5 3.855 3.345 8.096 1.00 0.00 O ATOM 611 OD2 ASP B 5 5.873 4.232 8.420 1.00 0.00 O ATOM 0 H ASP B 5 4.339 1.125 6.196 1.00 0.00 H new ATOM 0 HA ASP B 5 3.318 3.647 5.636 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.070 2.558 6.238 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.872 4.254 5.846 1.00 0.00 H new ATOM 616 N GLN B 6 5.363 2.375 3.365 1.00 0.00 N ATOM 617 CA GLN B 6 5.864 2.516 2.009 1.00 0.00 C ATOM 618 C GLN B 6 4.703 2.705 1.031 1.00 0.00 C ATOM 619 O GLN B 6 4.870 3.310 -0.027 1.00 0.00 O ATOM 620 CB GLN B 6 6.723 1.313 1.614 1.00 0.00 C ATOM 621 CG GLN B 6 8.186 1.531 2.007 1.00 0.00 C ATOM 622 CD GLN B 6 8.867 2.518 1.057 1.00 0.00 C ATOM 623 OE1 GLN B 6 9.119 3.665 1.389 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.152 2.010 -0.138 1.00 0.00 N ATOM 0 H GLN B 6 5.652 1.520 3.839 1.00 0.00 H new ATOM 0 HA GLN B 6 6.497 3.402 1.967 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.342 0.415 2.100 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.652 1.148 0.539 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.240 1.908 3.028 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.717 0.579 1.990 1.00 0.00 H new ATOM 0 HE21 GLN B 6 8.913 1.041 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.609 2.589 -0.842 1.00 0.00 H new ATOM 633 N ILE B 7 3.552 2.176 1.419 1.00 0.00 N ATOM 634 CA ILE B 7 2.372 2.250 0.575 1.00 0.00 C ATOM 635 C ILE B 7 1.734 3.633 0.717 1.00 0.00 C ATOM 636 O ILE B 7 1.144 4.149 -0.231 1.00 0.00 O ATOM 637 CB ILE B 7 1.416 1.097 0.888 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.122 -0.254 0.749 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.157 1.178 0.023 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.230 -0.667 -0.720 1.00 0.00 C ATOM 0 H ILE B 7 3.412 1.694 2.307 1.00 0.00 H new ATOM 0 HA ILE B 7 2.646 2.131 -0.473 1.00 0.00 H new ATOM 0 HB ILE B 7 1.099 1.189 1.927 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.118 -0.195 1.188 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.573 -1.014 1.305 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.505 0.347 0.266 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.357 2.120 0.216 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.435 1.125 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.735 -1.630 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.231 -0.749 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.800 0.083 -1.268 1.00 0.00 H new ATOM 652 N ILE B 8 1.874 4.195 1.908 1.00 0.00 N ATOM 653 CA ILE B 8 1.325 5.512 2.184 1.00 0.00 C ATOM 654 C ILE B 8 1.932 6.526 1.212 1.00 0.00 C ATOM 655 O ILE B 8 1.212 7.319 0.608 1.00 0.00 O ATOM 656 CB ILE B 8 1.523 5.877 3.657 1.00 0.00 C ATOM 657 CG1 ILE B 8 0.861 4.845 4.572 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.029 7.297 3.941 1.00 0.00 C ATOM 659 CD1 ILE B 8 1.038 5.223 6.043 1.00 0.00 C ATOM 0 H ILE B 8 2.360 3.762 2.694 1.00 0.00 H new ATOM 0 HA ILE B 8 0.247 5.518 2.020 1.00 0.00 H new ATOM 0 HB ILE B 8 2.591 5.859 3.873 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.201 4.773 4.337 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.295 3.862 4.391 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.181 7.531 4.995 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.586 8.005 3.328 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.032 7.367 3.703 1.00 0.00 H new ATOM 0 HD11 ILE B 8 0.558 4.473 6.672 1.00 0.00 H new ATOM 0 HD12 ILE B 8 2.101 5.270 6.281 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.582 6.196 6.226 1.00 0.00 H new ATOM 671 N GLU B 9 3.250 6.467 1.092 1.00 0.00 N ATOM 672 CA GLU B 9 3.964 7.386 0.222 1.00 0.00 C ATOM 673 C GLU B 9 3.579 7.142 -1.239 1.00 0.00 C ATOM 674 O GLU B 9 3.799 7.998 -2.094 1.00 0.00 O ATOM 675 CB GLU B 9 5.477 7.264 0.418 1.00 0.00 C ATOM 676 CG GLU B 9 5.884 7.702 1.826 1.00 0.00 C ATOM 677 CD GLU B 9 7.398 7.896 1.924 1.00 0.00 C ATOM 678 OE1 GLU B 9 8.116 7.079 1.308 1.00 0.00 O ATOM 679 OE2 GLU B 9 7.804 8.858 2.612 1.00 0.00 O ATOM 0 H GLU B 9 3.842 5.797 1.583 1.00 0.00 H new ATOM 0 HA GLU B 9 3.677 8.403 0.488 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.787 6.233 0.250 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.994 7.876 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.377 8.633 2.082 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.562 6.954 2.551 1.00 0.00 H new ATOM 686 N ALA B 10 3.012 5.969 -1.480 1.00 0.00 N ATOM 687 CA ALA B 10 2.591 5.603 -2.822 1.00 0.00 C ATOM 688 C ALA B 10 1.293 6.337 -3.162 1.00 0.00 C ATOM 689 O ALA B 10 1.161 6.901 -4.247 1.00 0.00 O ATOM 690 CB ALA B 10 2.443 4.083 -2.913 1.00 0.00 C ATOM 0 H ALA B 10 2.834 5.260 -0.769 1.00 0.00 H new ATOM 0 HA ALA B 10 3.340 5.902 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.127 3.808 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.400 3.610 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.696 3.746 -2.194 1.00 0.00 H new ATOM 696 N VAL B 11 0.367 6.306 -2.215 1.00 0.00 N ATOM 697 CA VAL B 11 -0.918 6.958 -2.403 1.00 0.00 C ATOM 698 C VAL B 11 -0.707 8.469 -2.514 1.00 0.00 C ATOM 699 O VAL B 11 -1.565 9.183 -3.033 1.00 0.00 O ATOM 700 CB VAL B 11 -1.873 6.568 -1.273 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.072 7.516 -1.218 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.328 5.115 -1.416 1.00 0.00 C ATOM 0 H VAL B 11 0.481 5.840 -1.315 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.383 6.626 -3.331 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.332 6.657 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.735 7.217 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.723 8.534 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.613 7.473 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.006 4.864 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.843 4.987 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.460 4.457 -1.382 1.00 0.00 H new ATOM 712 N ALA B 12 0.439 8.913 -2.018 1.00 0.00 N ATOM 713 CA ALA B 12 0.763 10.329 -2.036 1.00 0.00 C ATOM 714 C ALA B 12 1.605 10.640 -3.275 1.00 0.00 C ATOM 715 O ALA B 12 2.047 11.772 -3.462 1.00 0.00 O ATOM 716 CB ALA B 12 1.478 10.705 -0.736 1.00 0.00 C ATOM 0 H ALA B 12 1.154 8.317 -1.601 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.145 10.930 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.721 11.767 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.827 10.492 0.112 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.395 10.124 -0.644 1.00 0.00 H new ATOM 722 N ALA B 13 1.801 9.614 -4.090 1.00 0.00 N ATOM 723 CA ALA B 13 2.606 9.756 -5.291 1.00 0.00 C ATOM 724 C ALA B 13 1.685 9.964 -6.495 1.00 0.00 C ATOM 725 O ALA B 13 2.076 10.592 -7.478 1.00 0.00 O ATOM 726 CB ALA B 13 3.506 8.528 -5.451 1.00 0.00 C ATOM 0 H ALA B 13 1.416 8.681 -3.942 1.00 0.00 H new ATOM 0 HA ALA B 13 3.255 10.629 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.110 8.634 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.160 8.441 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.889 7.633 -5.531 1.00 0.00 H new ATOM 732 N MET B 14 0.481 9.424 -6.379 1.00 0.00 N ATOM 733 CA MET B 14 -0.481 9.500 -7.466 1.00 0.00 C ATOM 734 C MET B 14 -1.492 10.623 -7.225 1.00 0.00 C ATOM 735 O MET B 14 -1.521 11.217 -6.149 1.00 0.00 O ATOM 736 CB MET B 14 -1.219 8.166 -7.588 1.00 0.00 C ATOM 737 CG MET B 14 -0.238 7.017 -7.831 1.00 0.00 C ATOM 738 SD MET B 14 -0.465 5.749 -6.596 1.00 0.00 S ATOM 739 CE MET B 14 0.181 4.338 -7.478 1.00 0.00 C ATOM 0 H MET B 14 0.149 8.932 -5.549 1.00 0.00 H new ATOM 0 HA MET B 14 0.057 9.713 -8.389 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.788 7.977 -6.678 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.936 8.216 -8.408 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.394 6.599 -8.826 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.786 7.389 -7.798 1.00 0.00 H new ATOM 0 HE1 MET B 14 0.114 3.452 -6.846 1.00 0.00 H new ATOM 0 HE2 MET B 14 -0.400 4.180 -8.387 1.00 0.00 H new ATOM 0 HE3 MET B 14 1.223 4.519 -7.740 1.00 0.00 H new ATOM 749 N SER B 15 -2.297 10.880 -8.246 1.00 0.00 N ATOM 750 CA SER B 15 -3.292 11.936 -8.167 1.00 0.00 C ATOM 751 C SER B 15 -4.500 11.458 -7.359 1.00 0.00 C ATOM 752 O SER B 15 -4.696 10.256 -7.182 1.00 0.00 O ATOM 753 CB SER B 15 -3.731 12.384 -9.563 1.00 0.00 C ATOM 754 OG SER B 15 -3.545 11.359 -10.535 1.00 0.00 O ATOM 0 H SER B 15 -2.280 10.375 -9.132 1.00 0.00 H new ATOM 0 HA SER B 15 -2.843 12.792 -7.664 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.782 12.673 -9.537 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.164 13.268 -9.855 1.00 0.00 H new ATOM 0 HG SER B 15 -3.838 11.683 -11.412 1.00 0.00 H new ATOM 760 N VAL B 16 -5.277 12.423 -6.889 1.00 0.00 N ATOM 761 CA VAL B 16 -6.466 12.115 -6.113 1.00 0.00 C ATOM 762 C VAL B 16 -7.365 11.174 -6.917 1.00 0.00 C ATOM 763 O VAL B 16 -7.881 10.194 -6.381 1.00 0.00 O ATOM 764 CB VAL B 16 -7.171 13.409 -5.700 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.476 13.110 -4.960 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.250 14.289 -4.854 1.00 0.00 C ATOM 0 H VAL B 16 -5.106 13.419 -7.031 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.198 11.599 -5.191 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.419 13.960 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.957 14.047 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.141 12.542 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.261 12.528 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.775 15.202 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.956 13.749 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.361 14.544 -5.430 1.00 0.00 H new ATOM 776 N MET B 17 -7.525 11.505 -8.190 1.00 0.00 N ATOM 777 CA MET B 17 -8.364 10.708 -9.070 1.00 0.00 C ATOM 778 C MET B 17 -7.892 9.254 -9.109 1.00 0.00 C ATOM 779 O MET B 17 -8.699 8.332 -8.997 1.00 0.00 O ATOM 780 CB MET B 17 -8.325 11.296 -10.482 1.00 0.00 C ATOM 781 CG MET B 17 -9.418 12.351 -10.667 1.00 0.00 C ATOM 782 SD MET B 17 -9.431 12.927 -12.356 1.00 0.00 S ATOM 783 CE MET B 17 -10.985 13.804 -12.373 1.00 0.00 C ATOM 0 H MET B 17 -7.088 12.313 -8.633 1.00 0.00 H new ATOM 0 HA MET B 17 -9.384 10.728 -8.686 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.348 11.743 -10.667 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.455 10.500 -11.215 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.390 11.929 -10.411 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.246 13.188 -9.990 1.00 0.00 H new ATOM 0 HE1 MET B 17 -11.151 14.230 -13.362 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.795 13.114 -12.134 1.00 0.00 H new ATOM 0 HE3 MET B 17 -10.960 14.604 -11.633 1.00 0.00 H new ATOM 793 N ASP B 18 -6.587 9.093 -9.268 1.00 0.00 N ATOM 794 CA ASP B 18 -5.999 7.765 -9.333 1.00 0.00 C ATOM 795 C ASP B 18 -6.335 7.000 -8.052 1.00 0.00 C ATOM 796 O ASP B 18 -6.478 5.778 -8.074 1.00 0.00 O ATOM 797 CB ASP B 18 -4.475 7.843 -9.451 1.00 0.00 C ATOM 798 CG ASP B 18 -3.766 6.492 -9.569 1.00 0.00 C ATOM 799 OD1 ASP B 18 -3.607 5.841 -8.514 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.399 6.142 -10.711 1.00 0.00 O ATOM 0 H ASP B 18 -5.920 9.860 -9.354 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.404 7.259 -10.210 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.223 8.446 -10.324 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.084 8.367 -8.578 1.00 0.00 H new ATOM 805 N VAL B 19 -6.453 7.749 -6.966 1.00 0.00 N ATOM 806 CA VAL B 19 -6.722 7.151 -5.670 1.00 0.00 C ATOM 807 C VAL B 19 -8.215 6.834 -5.559 1.00 0.00 C ATOM 808 O VAL B 19 -8.601 5.866 -4.906 1.00 0.00 O ATOM 809 CB VAL B 19 -6.222 8.072 -4.555 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.674 7.567 -3.183 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.700 8.222 -4.609 1.00 0.00 C ATOM 0 H VAL B 19 -6.367 8.765 -6.957 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.181 6.211 -5.564 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.662 9.057 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.305 8.239 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.763 7.535 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.276 6.566 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.371 8.881 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.234 7.244 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.410 8.647 -5.570 1.00 0.00 H new ATOM 821 N VAL B 20 -9.014 7.670 -6.206 1.00 0.00 N ATOM 822 CA VAL B 20 -10.454 7.476 -6.209 1.00 0.00 C ATOM 823 C VAL B 20 -10.787 6.167 -6.928 1.00 0.00 C ATOM 824 O VAL B 20 -11.564 5.358 -6.423 1.00 0.00 O ATOM 825 CB VAL B 20 -11.144 8.692 -6.831 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.611 8.390 -7.143 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.017 9.918 -5.925 1.00 0.00 C ATOM 0 H VAL B 20 -8.692 8.483 -6.731 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.830 7.391 -5.189 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.641 8.918 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.078 9.271 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.670 7.558 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.132 8.126 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.516 10.768 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.481 9.708 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.963 10.153 -5.776 1.00 0.00 H new ATOM 837 N GLU B 21 -10.183 6.000 -8.096 1.00 0.00 N ATOM 838 CA GLU B 21 -10.385 4.791 -8.876 1.00 0.00 C ATOM 839 C GLU B 21 -9.877 3.571 -8.105 1.00 0.00 C ATOM 840 O GLU B 21 -10.530 2.529 -8.084 1.00 0.00 O ATOM 841 CB GLU B 21 -9.703 4.900 -10.241 1.00 0.00 C ATOM 842 CG GLU B 21 -10.543 5.737 -11.208 1.00 0.00 C ATOM 843 CD GLU B 21 -9.819 5.923 -12.544 1.00 0.00 C ATOM 844 OE1 GLU B 21 -9.494 4.886 -13.162 1.00 0.00 O ATOM 845 OE2 GLU B 21 -9.607 7.097 -12.915 1.00 0.00 O ATOM 0 H GLU B 21 -9.554 6.682 -8.520 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.454 4.667 -9.049 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.718 5.352 -10.124 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.550 3.904 -10.656 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.504 5.250 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.752 6.711 -10.765 1.00 0.00 H new ATOM 852 N LEU B 22 -8.716 3.741 -7.490 1.00 0.00 N ATOM 853 CA LEU B 22 -8.115 2.668 -6.716 1.00 0.00 C ATOM 854 C LEU B 22 -9.107 2.197 -5.651 1.00 0.00 C ATOM 855 O LEU B 22 -9.526 1.040 -5.657 1.00 0.00 O ATOM 856 CB LEU B 22 -6.765 3.110 -6.146 1.00 0.00 C ATOM 857 CG LEU B 22 -5.906 2.006 -5.526 1.00 0.00 C ATOM 858 CD1 LEU B 22 -4.600 1.826 -6.302 1.00 0.00 C ATOM 859 CD2 LEU B 22 -5.657 2.275 -4.040 1.00 0.00 C ATOM 0 H LEU B 22 -8.175 4.606 -7.512 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.900 1.811 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.193 3.583 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.945 3.872 -5.388 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.454 1.067 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.008 1.035 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -4.824 1.556 -7.334 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.035 2.758 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -5.044 1.476 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.139 3.227 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -6.610 2.314 -3.513 1.00 0.00 H new ATOM 871 N ILE B 23 -9.453 3.116 -4.762 1.00 0.00 N ATOM 872 CA ILE B 23 -10.369 2.801 -3.678 1.00 0.00 C ATOM 873 C ILE B 23 -11.646 2.189 -4.256 1.00 0.00 C ATOM 874 O ILE B 23 -12.111 1.153 -3.784 1.00 0.00 O ATOM 875 CB ILE B 23 -10.617 4.037 -2.811 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.362 4.415 -2.022 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.827 3.832 -1.897 1.00 0.00 C ATOM 878 CD1 ILE B 23 -8.964 3.298 -1.055 1.00 0.00 C ATOM 0 H ILE B 23 -9.116 4.079 -4.770 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.931 2.056 -3.014 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.848 4.874 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.541 4.614 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.541 5.335 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.981 4.725 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.714 3.647 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.649 2.977 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.069 3.593 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.777 3.118 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -8.762 2.386 -1.616 1.00 0.00 H new ATOM 890 N SER B 24 -12.177 2.856 -5.270 1.00 0.00 N ATOM 891 CA SER B 24 -13.428 2.428 -5.874 1.00 0.00 C ATOM 892 C SER B 24 -13.322 0.967 -6.317 1.00 0.00 C ATOM 893 O SER B 24 -14.269 0.198 -6.163 1.00 0.00 O ATOM 894 CB SER B 24 -13.798 3.318 -7.063 1.00 0.00 C ATOM 895 OG SER B 24 -14.521 4.476 -6.657 1.00 0.00 O ATOM 0 H SER B 24 -11.764 3.689 -5.689 1.00 0.00 H new ATOM 0 HA SER B 24 -14.217 2.518 -5.128 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.891 3.622 -7.585 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.397 2.746 -7.771 1.00 0.00 H new ATOM 0 HG SER B 24 -13.891 5.191 -6.428 1.00 0.00 H new ATOM 901 N ALA B 25 -12.161 0.629 -6.859 1.00 0.00 N ATOM 902 CA ALA B 25 -11.930 -0.718 -7.353 1.00 0.00 C ATOM 903 C ALA B 25 -12.108 -1.715 -6.206 1.00 0.00 C ATOM 904 O ALA B 25 -12.919 -2.636 -6.299 1.00 0.00 O ATOM 905 CB ALA B 25 -10.539 -0.799 -7.985 1.00 0.00 C ATOM 0 H ALA B 25 -11.370 1.264 -6.967 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.655 -0.972 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.366 -1.809 -8.355 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.474 -0.093 -8.813 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.785 -0.552 -7.238 1.00 0.00 H new ATOM 911 N MET B 26 -11.338 -1.497 -5.150 1.00 0.00 N ATOM 912 CA MET B 26 -11.398 -2.367 -3.988 1.00 0.00 C ATOM 913 C MET B 26 -12.833 -2.495 -3.472 1.00 0.00 C ATOM 914 O MET B 26 -13.293 -3.596 -3.173 1.00 0.00 O ATOM 915 CB MET B 26 -10.506 -1.801 -2.880 1.00 0.00 C ATOM 916 CG MET B 26 -9.026 -1.965 -3.231 1.00 0.00 C ATOM 917 SD MET B 26 -8.011 -1.277 -1.934 1.00 0.00 S ATOM 918 CE MET B 26 -6.488 -1.029 -2.830 1.00 0.00 C ATOM 0 H MET B 26 -10.669 -0.730 -5.075 1.00 0.00 H new ATOM 0 HA MET B 26 -11.047 -3.357 -4.280 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.733 -0.746 -2.729 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.719 -2.311 -1.940 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.791 -3.021 -3.367 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.810 -1.466 -4.176 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.739 -0.601 -2.163 1.00 0.00 H new ATOM 0 HE2 MET B 26 -6.130 -1.985 -3.212 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.663 -0.348 -3.663 1.00 0.00 H new ATOM 928 N GLU B 27 -13.501 -1.354 -3.385 1.00 0.00 N ATOM 929 CA GLU B 27 -14.864 -1.321 -2.883 1.00 0.00 C ATOM 930 C GLU B 27 -15.703 -2.410 -3.555 1.00 0.00 C ATOM 931 O GLU B 27 -16.435 -3.136 -2.884 1.00 0.00 O ATOM 932 CB GLU B 27 -15.491 0.059 -3.089 1.00 0.00 C ATOM 933 CG GLU B 27 -15.172 0.987 -1.915 1.00 0.00 C ATOM 934 CD GLU B 27 -16.103 0.716 -0.733 1.00 0.00 C ATOM 935 OE1 GLU B 27 -17.329 0.864 -0.930 1.00 0.00 O ATOM 936 OE2 GLU B 27 -15.569 0.366 0.342 1.00 0.00 O ATOM 0 H GLU B 27 -13.123 -0.445 -3.654 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.841 -1.517 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -15.119 0.497 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.571 -0.041 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.136 0.846 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -15.272 2.026 -2.230 1.00 0.00 H new ATOM 943 N GLU B 28 -15.568 -2.490 -4.870 1.00 0.00 N ATOM 944 CA GLU B 28 -16.340 -3.447 -5.645 1.00 0.00 C ATOM 945 C GLU B 28 -15.704 -4.836 -5.558 1.00 0.00 C ATOM 946 O GLU B 28 -16.391 -5.821 -5.292 1.00 0.00 O ATOM 947 CB GLU B 28 -16.472 -2.994 -7.101 1.00 0.00 C ATOM 948 CG GLU B 28 -17.625 -3.718 -7.797 1.00 0.00 C ATOM 949 CD GLU B 28 -17.159 -4.360 -9.106 1.00 0.00 C ATOM 950 OE1 GLU B 28 -17.224 -3.657 -10.137 1.00 0.00 O ATOM 951 OE2 GLU B 28 -16.749 -5.539 -9.045 1.00 0.00 O ATOM 0 H GLU B 28 -14.936 -1.908 -5.419 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.344 -3.501 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.639 -1.917 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.541 -3.190 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -18.030 -4.484 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.432 -3.014 -8.000 1.00 0.00 H new ATOM 958 N LYS B 29 -14.400 -4.870 -5.788 1.00 0.00 N ATOM 959 CA LYS B 29 -13.672 -6.128 -5.785 1.00 0.00 C ATOM 960 C LYS B 29 -13.999 -6.898 -4.504 1.00 0.00 C ATOM 961 O LYS B 29 -14.592 -7.974 -4.557 1.00 0.00 O ATOM 962 CB LYS B 29 -12.176 -5.882 -5.990 1.00 0.00 C ATOM 963 CG LYS B 29 -11.387 -7.189 -5.891 1.00 0.00 C ATOM 964 CD LYS B 29 -11.264 -7.861 -7.260 1.00 0.00 C ATOM 965 CE LYS B 29 -10.584 -9.226 -7.141 1.00 0.00 C ATOM 966 NZ LYS B 29 -10.426 -9.844 -8.477 1.00 0.00 N ATOM 0 H LYS B 29 -13.828 -4.047 -5.978 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.986 -6.752 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.009 -5.425 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.814 -5.177 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.394 -6.989 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.882 -7.865 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.254 -7.981 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.691 -7.223 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.608 -9.113 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.175 -9.879 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.963 -10.770 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.361 -9.969 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -9.843 -9.227 -9.078 1.00 0.00 H new ATOM 980 N PHE B 30 -13.598 -6.316 -3.383 1.00 0.00 N ATOM 981 CA PHE B 30 -13.820 -6.946 -2.093 1.00 0.00 C ATOM 982 C PHE B 30 -15.289 -6.841 -1.678 1.00 0.00 C ATOM 983 O PHE B 30 -15.706 -7.453 -0.695 1.00 0.00 O ATOM 984 CB PHE B 30 -12.960 -6.194 -1.075 1.00 0.00 C ATOM 985 CG PHE B 30 -11.457 -6.429 -1.236 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.869 -7.502 -0.642 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.709 -5.565 -1.973 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.474 -7.720 -0.792 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.314 -5.782 -2.123 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.726 -6.855 -1.529 1.00 0.00 C ATOM 0 H PHE B 30 -13.121 -5.415 -3.342 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.559 -8.003 -2.145 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -13.162 -5.126 -1.162 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -13.259 -6.494 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.463 -8.188 -0.056 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.176 -4.713 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -9.007 -8.572 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.720 -5.096 -2.708 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.665 -7.020 -1.642 1.00 0.00 H new