USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 25 THR OG1 : rot 180:sc= 0.0701 USER MOD Set 2.1: A 10 CYS SG : rot 153:sc= -10.4! USER MOD Set 2.2: A 13 CYS SG : rot 120:sc= -1.51 USER MOD Set 2.3: A 17 GLN : amide:sc= -2.63! C(o=-16!,f=-15!) USER MOD Set 2.4: A 29 CYS SG : rot -150:sc= -1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -2.58! K(o=-2.6!,f=-0.23) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0674 K(o=-0.067,f=-1.2) USER MOD Single : A 22 HIS : no HD1:sc= -4.44! K(o=-4.4!,f=-3.2) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.109) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.379 K(o=-0.38,f=-3.1!) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0179) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -3.6! C(o=-3.6!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.406 -7.359 -15.004 1.00 0.00 N ATOM 2 CA MET A 1 9.907 -6.440 -13.997 1.00 0.00 C ATOM 3 C MET A 1 9.169 -6.625 -12.670 1.00 0.00 C ATOM 4 O MET A 1 8.067 -7.170 -12.639 1.00 0.00 O ATOM 5 CB MET A 1 9.728 -5.000 -14.485 1.00 0.00 C ATOM 6 CG MET A 1 10.912 -4.127 -14.066 1.00 0.00 C ATOM 7 SD MET A 1 12.235 -4.281 -15.255 1.00 0.00 S ATOM 8 CE MET A 1 13.636 -4.355 -14.152 1.00 0.00 C ATOM 0 H1 MET A 1 9.923 -7.213 -15.895 1.00 0.00 H new ATOM 0 H2 MET A 1 9.543 -8.338 -14.680 1.00 0.00 H new ATOM 0 H3 MET A 1 8.393 -7.185 -15.159 1.00 0.00 H new ATOM 0 HA MET A 1 10.964 -6.649 -13.835 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.631 -4.990 -15.571 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.805 -4.587 -14.078 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.598 -3.086 -13.991 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.263 -4.426 -13.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.552 -4.453 -14.734 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.679 -3.443 -13.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.533 -5.215 -13.490 1.00 0.00 H new ATOM 16 N HIS A 2 9.806 -6.160 -11.605 1.00 0.00 N ATOM 17 CA HIS A 2 9.224 -6.268 -10.279 1.00 0.00 C ATOM 18 C HIS A 2 8.252 -5.109 -10.049 1.00 0.00 C ATOM 19 O HIS A 2 8.524 -3.977 -10.445 1.00 0.00 O ATOM 20 CB HIS A 2 10.316 -6.344 -9.210 1.00 0.00 C ATOM 21 CG HIS A 2 11.469 -5.396 -9.441 1.00 0.00 C ATOM 22 ND1 HIS A 2 12.742 -5.631 -8.950 1.00 0.00 N ATOM 23 CD2 HIS A 2 11.527 -4.212 -10.114 1.00 0.00 C ATOM 24 CE1 HIS A 2 13.523 -4.626 -9.318 1.00 0.00 C ATOM 25 NE2 HIS A 2 12.768 -3.747 -10.038 1.00 0.00 N ATOM 0 H HIS A 2 10.720 -5.708 -11.634 1.00 0.00 H new ATOM 0 HA HIS A 2 8.656 -7.195 -10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 2 9.873 -6.131 -8.237 1.00 0.00 H new ATOM 0 HB3 HIS A 2 10.700 -7.363 -9.169 1.00 0.00 H new ATOM 0 HD2 HIS A 2 10.703 -3.734 -10.623 1.00 0.00 H new ATOM 0 HE1 HIS A 2 14.573 -4.521 -9.088 1.00 0.00 H new ATOM 0 HE2 HIS A 2 13.102 -2.876 -10.450 1.00 0.00 H new ATOM 32 N SER A 3 7.136 -5.431 -9.410 1.00 0.00 N ATOM 33 CA SER A 3 6.122 -4.432 -9.124 1.00 0.00 C ATOM 34 C SER A 3 6.785 -3.110 -8.734 1.00 0.00 C ATOM 35 O SER A 3 7.858 -3.103 -8.132 1.00 0.00 O ATOM 36 CB SER A 3 5.183 -4.902 -8.011 1.00 0.00 C ATOM 37 OG SER A 3 5.768 -4.753 -6.720 1.00 0.00 O ATOM 0 H SER A 3 6.913 -6.371 -9.082 1.00 0.00 H new ATOM 0 HA SER A 3 5.527 -4.282 -10.025 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.254 -4.333 -8.056 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.924 -5.948 -8.173 1.00 0.00 H new ATOM 0 HG SER A 3 5.137 -5.062 -6.037 1.00 0.00 H new ATOM 42 N ARG A 4 6.121 -2.021 -9.095 1.00 0.00 N ATOM 43 CA ARG A 4 6.633 -0.696 -8.790 1.00 0.00 C ATOM 44 C ARG A 4 6.260 -0.299 -7.360 1.00 0.00 C ATOM 45 O ARG A 4 5.458 -0.971 -6.715 1.00 0.00 O ATOM 46 CB ARG A 4 6.076 0.346 -9.763 1.00 0.00 C ATOM 47 CG ARG A 4 7.145 0.787 -10.765 1.00 0.00 C ATOM 48 CD ARG A 4 6.553 0.933 -12.168 1.00 0.00 C ATOM 49 NE ARG A 4 6.693 -0.339 -12.912 1.00 0.00 N ATOM 50 CZ ARG A 4 7.793 -0.691 -13.611 1.00 0.00 C ATOM 51 NH1 ARG A 4 8.861 0.132 -13.668 1.00 0.00 N ATOM 52 NH2 ARG A 4 7.808 -1.852 -14.238 1.00 0.00 N ATOM 0 H ARG A 4 5.233 -2.030 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 4 7.718 -0.728 -8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.222 -0.070 -10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.714 1.211 -9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.577 1.736 -10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.955 0.058 -10.782 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.501 1.210 -12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.060 1.735 -12.704 1.00 0.00 H new ATOM 0 HE ARG A 4 5.909 -0.991 -12.895 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.841 1.028 -13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.688 -0.142 -14.198 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.996 -2.468 -14.190 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.631 -2.133 -14.771 1.00 0.00 H new ATOM 62 N PHE A 5 6.864 0.791 -6.907 1.00 0.00 N ATOM 63 CA PHE A 5 6.606 1.285 -5.566 1.00 0.00 C ATOM 64 C PHE A 5 5.510 2.353 -5.576 1.00 0.00 C ATOM 65 O PHE A 5 5.442 3.170 -6.493 1.00 0.00 O ATOM 66 CB PHE A 5 7.907 1.913 -5.064 1.00 0.00 C ATOM 67 CG PHE A 5 8.590 2.830 -6.080 1.00 0.00 C ATOM 68 CD1 PHE A 5 8.050 4.045 -6.370 1.00 0.00 C ATOM 69 CD2 PHE A 5 9.736 2.431 -6.694 1.00 0.00 C ATOM 70 CE1 PHE A 5 8.683 4.895 -7.314 1.00 0.00 C ATOM 71 CE2 PHE A 5 10.369 3.282 -7.638 1.00 0.00 C ATOM 72 CZ PHE A 5 9.829 4.497 -7.928 1.00 0.00 C ATOM 0 H PHE A 5 7.531 1.345 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 5 6.274 0.468 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.697 2.483 -4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.598 1.118 -4.786 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.140 4.362 -5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 5 10.165 1.467 -6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.254 5.859 -7.545 1.00 0.00 H new ATOM 0 HE2 PHE A 5 11.279 2.965 -8.126 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.311 5.145 -8.646 1.00 0.00 H new ATOM 81 N VAL A 6 4.677 2.311 -4.546 1.00 0.00 N ATOM 82 CA VAL A 6 3.588 3.263 -4.425 1.00 0.00 C ATOM 83 C VAL A 6 3.375 3.604 -2.948 1.00 0.00 C ATOM 84 O VAL A 6 3.282 2.710 -2.108 1.00 0.00 O ATOM 85 CB VAL A 6 2.329 2.707 -5.096 1.00 0.00 C ATOM 86 CG1 VAL A 6 2.692 1.790 -6.266 1.00 0.00 C ATOM 87 CG2 VAL A 6 1.443 1.981 -4.083 1.00 0.00 C ATOM 0 H VAL A 6 4.735 1.631 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 6 3.834 4.191 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 6 1.761 3.548 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.780 1.408 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.263 2.352 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.292 0.956 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.556 1.596 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.998 1.153 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.143 2.676 -3.299 1.00 0.00 H new ATOM 97 N LYS A 7 3.307 4.899 -2.677 1.00 0.00 N ATOM 98 CA LYS A 7 3.108 5.370 -1.316 1.00 0.00 C ATOM 99 C LYS A 7 1.612 5.545 -1.056 1.00 0.00 C ATOM 100 O LYS A 7 0.944 6.319 -1.741 1.00 0.00 O ATOM 101 CB LYS A 7 3.929 6.635 -1.063 1.00 0.00 C ATOM 102 CG LYS A 7 3.203 7.575 -0.098 1.00 0.00 C ATOM 103 CD LYS A 7 4.009 8.855 0.133 1.00 0.00 C ATOM 104 CE LYS A 7 5.244 8.577 0.992 1.00 0.00 C ATOM 105 NZ LYS A 7 5.979 9.833 1.264 1.00 0.00 N ATOM 0 H LYS A 7 3.386 5.637 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 7 3.472 4.633 -0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.902 6.366 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.113 7.148 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.222 7.827 -0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.038 7.069 0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.315 9.274 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.382 9.601 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.944 8.113 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.897 7.869 0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.814 9.627 1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.282 10.260 0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.358 10.496 1.770 1.00 0.00 H new ATOM 114 N VAL A 8 1.126 4.813 -0.063 1.00 0.00 N ATOM 115 CA VAL A 8 -0.280 4.878 0.296 1.00 0.00 C ATOM 116 C VAL A 8 -0.412 5.394 1.731 1.00 0.00 C ATOM 117 O VAL A 8 0.574 5.463 2.462 1.00 0.00 O ATOM 118 CB VAL A 8 -0.936 3.510 0.091 1.00 0.00 C ATOM 119 CG1 VAL A 8 -1.076 3.188 -1.399 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.157 2.413 0.819 1.00 0.00 C ATOM 0 H VAL A 8 1.682 4.172 0.504 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.808 5.578 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.937 3.550 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.545 2.211 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.693 3.947 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.090 3.176 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.645 1.452 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.862 2.373 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.132 2.632 1.887 1.00 0.00 H new ATOM 130 N LYS A 9 -1.638 5.743 2.089 1.00 0.00 N ATOM 131 CA LYS A 9 -1.912 6.251 3.424 1.00 0.00 C ATOM 132 C LYS A 9 -3.063 5.456 4.041 1.00 0.00 C ATOM 133 O LYS A 9 -4.072 5.203 3.383 1.00 0.00 O ATOM 134 CB LYS A 9 -2.160 7.760 3.381 1.00 0.00 C ATOM 135 CG LYS A 9 -2.442 8.309 4.781 1.00 0.00 C ATOM 136 CD LYS A 9 -2.739 9.810 4.733 1.00 0.00 C ATOM 137 CE LYS A 9 -3.974 10.152 5.567 1.00 0.00 C ATOM 138 NZ LYS A 9 -4.099 11.616 5.733 1.00 0.00 N ATOM 0 H LYS A 9 -2.453 5.685 1.479 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.046 6.111 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.291 8.263 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.004 7.975 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.289 7.781 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.584 8.125 5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.879 10.366 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.896 10.120 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.867 9.758 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.904 9.674 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.943 11.830 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.254 11.984 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.188 12.065 4.799 1.00 0.00 H new ATOM 147 N CYS A 10 -2.874 5.083 5.298 1.00 0.00 N ATOM 148 CA CYS A 10 -3.885 4.321 6.012 1.00 0.00 C ATOM 149 C CYS A 10 -5.066 5.248 6.307 1.00 0.00 C ATOM 150 O CYS A 10 -4.884 6.343 6.835 1.00 0.00 O ATOM 151 CB CYS A 10 -3.322 3.690 7.287 1.00 0.00 C ATOM 152 SG CYS A 10 -4.214 2.138 7.665 1.00 0.00 S ATOM 0 H CYS A 10 -2.036 5.294 5.840 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.223 3.490 5.393 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.258 3.487 7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.418 4.386 8.120 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.438 1.346 8.344 1.00 0.00 H new ATOM 157 N PRO A 11 -6.283 4.761 5.945 1.00 0.00 N ATOM 158 CA PRO A 11 -7.494 5.533 6.165 1.00 0.00 C ATOM 159 C PRO A 11 -7.891 5.521 7.643 1.00 0.00 C ATOM 160 O PRO A 11 -8.388 6.518 8.164 1.00 0.00 O ATOM 161 CB PRO A 11 -8.538 4.894 5.264 1.00 0.00 C ATOM 162 CG PRO A 11 -8.006 3.510 4.927 1.00 0.00 C ATOM 163 CD PRO A 11 -6.538 3.467 5.318 1.00 0.00 C ATOM 0 HA PRO A 11 -7.370 6.588 5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.502 4.830 5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.689 5.485 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.567 2.745 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.124 3.304 3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.336 2.647 6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.900 3.317 4.447 1.00 0.00 H new ATOM 168 N ASP A 12 -7.656 4.382 8.277 1.00 0.00 N ATOM 169 CA ASP A 12 -7.982 4.227 9.684 1.00 0.00 C ATOM 170 C ASP A 12 -6.836 4.780 10.533 1.00 0.00 C ATOM 171 O ASP A 12 -7.070 5.494 11.507 1.00 0.00 O ATOM 172 CB ASP A 12 -8.170 2.752 10.046 1.00 0.00 C ATOM 173 CG ASP A 12 -9.625 2.285 10.123 1.00 0.00 C ATOM 174 OD1 ASP A 12 -10.208 1.846 9.120 1.00 0.00 O ATOM 175 OD2 ASP A 12 -10.169 2.386 11.289 1.00 0.00 O ATOM 0 H ASP A 12 -7.243 3.557 7.842 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.909 4.767 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.647 2.143 9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.693 2.566 11.008 1.00 0.00 H new ATOM 180 N CYS A 13 -5.623 4.431 10.132 1.00 0.00 N ATOM 181 CA CYS A 13 -4.441 4.884 10.844 1.00 0.00 C ATOM 182 C CYS A 13 -4.212 6.360 10.507 1.00 0.00 C ATOM 183 O CYS A 13 -3.707 7.118 11.334 1.00 0.00 O ATOM 184 CB CYS A 13 -3.217 4.028 10.511 1.00 0.00 C ATOM 185 SG CYS A 13 -2.374 3.515 12.053 1.00 0.00 S ATOM 0 H CYS A 13 -5.433 3.840 9.323 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.598 4.777 11.917 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.521 3.149 9.943 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.529 4.592 9.881 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.358 2.217 12.128 1.00 0.00 H new ATOM 190 N GLU A 14 -4.597 6.722 9.291 1.00 0.00 N ATOM 191 CA GLU A 14 -4.441 8.093 8.836 1.00 0.00 C ATOM 192 C GLU A 14 -2.960 8.421 8.635 1.00 0.00 C ATOM 193 O GLU A 14 -2.605 9.567 8.365 1.00 0.00 O ATOM 194 CB GLU A 14 -5.092 9.074 9.813 1.00 0.00 C ATOM 195 CG GLU A 14 -6.578 8.760 9.996 1.00 0.00 C ATOM 196 CD GLU A 14 -7.335 9.983 10.518 1.00 0.00 C ATOM 197 OE1 GLU A 14 -7.717 10.020 11.696 1.00 0.00 O ATOM 198 OE2 GLU A 14 -7.524 10.918 9.650 1.00 0.00 O ATOM 0 H GLU A 14 -5.016 6.090 8.608 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.949 8.196 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.585 9.024 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.975 10.093 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.006 8.441 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.695 7.930 10.693 1.00 0.00 H new ATOM 204 N HIS A 15 -2.135 7.393 8.774 1.00 0.00 N ATOM 205 CA HIS A 15 -0.701 7.557 8.611 1.00 0.00 C ATOM 206 C HIS A 15 -0.294 7.143 7.194 1.00 0.00 C ATOM 207 O HIS A 15 -0.948 6.305 6.577 1.00 0.00 O ATOM 208 CB HIS A 15 0.060 6.789 9.694 1.00 0.00 C ATOM 209 CG HIS A 15 1.473 7.274 9.912 1.00 0.00 C ATOM 210 ND1 HIS A 15 2.558 6.417 9.985 1.00 0.00 N ATOM 211 CD2 HIS A 15 1.968 8.535 10.072 1.00 0.00 C ATOM 212 CE1 HIS A 15 3.650 7.140 10.181 1.00 0.00 C ATOM 213 NE2 HIS A 15 3.283 8.452 10.234 1.00 0.00 N ATOM 0 H HIS A 15 -2.433 6.443 8.998 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.435 8.607 8.736 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.489 6.866 10.633 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.087 5.733 9.426 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.388 9.446 10.068 1.00 0.00 H new ATOM 0 HE1 HIS A 15 4.655 6.757 10.281 1.00 0.00 H new ATOM 0 HE2 HIS A 15 3.915 9.240 10.375 1.00 0.00 H new ATOM 220 N GLU A 16 0.784 7.752 6.722 1.00 0.00 N ATOM 221 CA GLU A 16 1.285 7.457 5.391 1.00 0.00 C ATOM 222 C GLU A 16 2.241 6.263 5.435 1.00 0.00 C ATOM 223 O GLU A 16 3.149 6.220 6.263 1.00 0.00 O ATOM 224 CB GLU A 16 1.968 8.683 4.779 1.00 0.00 C ATOM 225 CG GLU A 16 0.970 9.826 4.583 1.00 0.00 C ATOM 226 CD GLU A 16 1.681 11.104 4.136 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.099 11.910 4.981 1.00 0.00 O ATOM 228 OE2 GLU A 16 1.795 11.246 2.859 1.00 0.00 O ATOM 0 H GLU A 16 1.324 8.448 7.237 1.00 0.00 H new ATOM 0 HA GLU A 16 0.439 7.196 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.781 9.012 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.413 8.415 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.226 9.540 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.435 10.010 5.515 1.00 0.00 H new ATOM 234 N GLN A 17 2.002 5.322 4.533 1.00 0.00 N ATOM 235 CA GLN A 17 2.830 4.130 4.459 1.00 0.00 C ATOM 236 C GLN A 17 3.231 3.851 3.010 1.00 0.00 C ATOM 237 O GLN A 17 2.622 4.381 2.081 1.00 0.00 O ATOM 238 CB GLN A 17 2.112 2.925 5.071 1.00 0.00 C ATOM 239 CG GLN A 17 2.687 2.584 6.446 1.00 0.00 C ATOM 240 CD GLN A 17 3.243 1.158 6.471 1.00 0.00 C ATOM 241 OE1 GLN A 17 4.404 0.912 6.186 1.00 0.00 O ATOM 242 NE2 GLN A 17 2.353 0.236 6.824 1.00 0.00 N ATOM 0 H GLN A 17 1.247 5.361 3.848 1.00 0.00 H new ATOM 0 HA GLN A 17 3.736 4.305 5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.047 3.139 5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.209 2.065 4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.478 3.291 6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.911 2.689 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.397 0.510 7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.626 -0.746 6.869 1.00 0.00 H new ATOM 249 N VAL A 18 4.252 3.021 2.860 1.00 0.00 N ATOM 250 CA VAL A 18 4.742 2.666 1.540 1.00 0.00 C ATOM 251 C VAL A 18 4.601 1.156 1.336 1.00 0.00 C ATOM 252 O VAL A 18 5.265 0.371 2.011 1.00 0.00 O ATOM 253 CB VAL A 18 6.179 3.162 1.362 1.00 0.00 C ATOM 254 CG1 VAL A 18 6.697 2.851 -0.044 1.00 0.00 C ATOM 255 CG2 VAL A 18 6.284 4.657 1.669 1.00 0.00 C ATOM 0 H VAL A 18 4.754 2.583 3.633 1.00 0.00 H new ATOM 0 HA VAL A 18 4.147 3.155 0.769 1.00 0.00 H new ATOM 0 HB VAL A 18 6.809 2.629 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.720 3.214 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.677 1.774 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.064 3.343 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.315 4.984 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.636 5.214 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.976 4.840 2.699 1.00 0.00 H new ATOM 265 N ILE A 19 3.732 0.794 0.404 1.00 0.00 N ATOM 266 CA ILE A 19 3.495 -0.607 0.104 1.00 0.00 C ATOM 267 C ILE A 19 3.377 -0.787 -1.411 1.00 0.00 C ATOM 268 O ILE A 19 3.227 0.187 -2.146 1.00 0.00 O ATOM 269 CB ILE A 19 2.284 -1.124 0.881 1.00 0.00 C ATOM 270 CG1 ILE A 19 1.016 -0.361 0.492 1.00 0.00 C ATOM 271 CG2 ILE A 19 2.540 -1.080 2.389 1.00 0.00 C ATOM 272 CD1 ILE A 19 -0.090 -1.323 0.051 1.00 0.00 C ATOM 0 H ILE A 19 3.183 1.448 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 19 4.338 -1.215 0.433 1.00 0.00 H new ATOM 0 HB ILE A 19 2.126 -2.168 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.670 0.232 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.240 0.336 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.663 -1.453 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.401 -1.703 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.738 -0.053 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.980 -0.755 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.250 -1.898 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.329 -2.003 0.869 1.00 0.00 H new ATOM 283 N PHE A 20 3.449 -2.041 -1.833 1.00 0.00 N ATOM 284 CA PHE A 20 3.351 -2.362 -3.247 1.00 0.00 C ATOM 285 C PHE A 20 1.890 -2.458 -3.688 1.00 0.00 C ATOM 286 O PHE A 20 1.028 -2.864 -2.909 1.00 0.00 O ATOM 287 CB PHE A 20 4.022 -3.722 -3.445 1.00 0.00 C ATOM 288 CG PHE A 20 5.426 -3.817 -2.845 1.00 0.00 C ATOM 289 CD1 PHE A 20 6.449 -3.105 -3.391 1.00 0.00 C ATOM 290 CD2 PHE A 20 5.653 -4.612 -1.765 1.00 0.00 C ATOM 291 CE1 PHE A 20 7.752 -3.193 -2.834 1.00 0.00 C ATOM 292 CE2 PHE A 20 6.957 -4.700 -1.208 1.00 0.00 C ATOM 293 CZ PHE A 20 7.979 -3.988 -1.754 1.00 0.00 C ATOM 0 H PHE A 20 3.574 -2.847 -1.220 1.00 0.00 H new ATOM 0 HA PHE A 20 3.830 -1.582 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.394 -4.494 -2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.079 -3.935 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.270 -2.473 -4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.841 -5.177 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.564 -2.628 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.137 -5.332 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.970 -4.054 -1.330 1.00 0.00 H new ATOM 302 N ASP A 21 1.655 -2.079 -4.936 1.00 0.00 N ATOM 303 CA ASP A 21 0.312 -2.118 -5.489 1.00 0.00 C ATOM 304 C ASP A 21 0.001 -3.539 -5.963 1.00 0.00 C ATOM 305 O ASP A 21 0.599 -4.022 -6.922 1.00 0.00 O ATOM 306 CB ASP A 21 0.185 -1.180 -6.691 1.00 0.00 C ATOM 307 CG ASP A 21 -1.085 -0.327 -6.715 1.00 0.00 C ATOM 308 OD1 ASP A 21 -1.024 0.906 -6.826 1.00 0.00 O ATOM 309 OD2 ASP A 21 -2.188 -0.988 -6.612 1.00 0.00 O ATOM 0 H ASP A 21 2.372 -1.744 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.383 -1.803 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.050 -0.517 -6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.222 -1.776 -7.603 1.00 0.00 H new ATOM 314 N HIS A 22 -0.935 -4.169 -5.268 1.00 0.00 N ATOM 315 CA HIS A 22 -1.332 -5.525 -5.605 1.00 0.00 C ATOM 316 C HIS A 22 -0.212 -6.497 -5.231 1.00 0.00 C ATOM 317 O HIS A 22 0.386 -7.126 -6.102 1.00 0.00 O ATOM 318 CB HIS A 22 -1.734 -5.623 -7.078 1.00 0.00 C ATOM 319 CG HIS A 22 -2.658 -4.520 -7.537 1.00 0.00 C ATOM 320 ND1 HIS A 22 -2.880 -4.235 -8.873 1.00 0.00 N ATOM 321 CD2 HIS A 22 -3.412 -3.634 -6.825 1.00 0.00 C ATOM 322 CE1 HIS A 22 -3.731 -3.223 -8.950 1.00 0.00 C ATOM 323 NE2 HIS A 22 -4.059 -2.851 -7.679 1.00 0.00 N ATOM 0 H HIS A 22 -1.430 -3.765 -4.473 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.214 -5.803 -5.028 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.833 -5.607 -7.692 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -2.219 -6.584 -7.248 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.472 -3.579 -5.748 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.100 -2.772 -9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.696 -2.096 -7.427 1.00 0.00 H new ATOM 330 N PRO A 23 0.048 -6.589 -3.899 1.00 0.00 N ATOM 331 CA PRO A 23 1.087 -7.474 -3.398 1.00 0.00 C ATOM 332 C PRO A 23 0.635 -8.934 -3.448 1.00 0.00 C ATOM 333 O PRO A 23 -0.319 -9.270 -4.149 1.00 0.00 O ATOM 334 CB PRO A 23 1.371 -6.987 -1.987 1.00 0.00 C ATOM 335 CG PRO A 23 0.166 -6.153 -1.583 1.00 0.00 C ATOM 336 CD PRO A 23 -0.639 -5.859 -2.838 1.00 0.00 C ATOM 0 HA PRO A 23 1.992 -7.446 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.512 -7.826 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.285 -6.394 -1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.443 -6.690 -0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.486 -5.225 -1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.672 -6.192 -2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.668 -4.790 -3.048 1.00 0.00 H new ATOM 341 N SER A 24 1.340 -9.765 -2.694 1.00 0.00 N ATOM 342 CA SER A 24 1.022 -11.182 -2.643 1.00 0.00 C ATOM 343 C SER A 24 0.603 -11.573 -1.224 1.00 0.00 C ATOM 344 O SER A 24 -0.271 -12.419 -1.043 1.00 0.00 O ATOM 345 CB SER A 24 2.213 -12.030 -3.097 1.00 0.00 C ATOM 346 OG SER A 24 3.306 -11.945 -2.187 1.00 0.00 O ATOM 0 H SER A 24 2.130 -9.484 -2.113 1.00 0.00 H new ATOM 0 HA SER A 24 0.194 -11.372 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.902 -13.070 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.537 -11.701 -4.084 1.00 0.00 H new ATOM 0 HG SER A 24 4.045 -12.501 -2.511 1.00 0.00 H new ATOM 351 N THR A 25 1.245 -10.939 -0.255 1.00 0.00 N ATOM 352 CA THR A 25 0.950 -11.210 1.141 1.00 0.00 C ATOM 353 C THR A 25 0.138 -10.064 1.747 1.00 0.00 C ATOM 354 O THR A 25 0.105 -8.964 1.199 1.00 0.00 O ATOM 355 CB THR A 25 2.274 -11.465 1.864 1.00 0.00 C ATOM 356 OG1 THR A 25 3.237 -10.762 1.083 1.00 0.00 O ATOM 357 CG2 THR A 25 2.717 -12.927 1.776 1.00 0.00 C ATOM 0 H THR A 25 1.969 -10.238 -0.409 1.00 0.00 H new ATOM 0 HA THR A 25 0.328 -12.099 1.248 1.00 0.00 H new ATOM 0 HB THR A 25 2.177 -11.178 2.911 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.125 -10.872 1.482 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.662 -13.053 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.959 -13.565 2.230 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.847 -13.206 0.730 1.00 0.00 H new ATOM 365 N ILE A 26 -0.498 -10.361 2.871 1.00 0.00 N ATOM 366 CA ILE A 26 -1.308 -9.369 3.557 1.00 0.00 C ATOM 367 C ILE A 26 -0.408 -8.236 4.053 1.00 0.00 C ATOM 368 O ILE A 26 0.696 -8.483 4.539 1.00 0.00 O ATOM 369 CB ILE A 26 -2.136 -10.025 4.663 1.00 0.00 C ATOM 370 CG1 ILE A 26 -2.966 -11.187 4.112 1.00 0.00 C ATOM 371 CG2 ILE A 26 -3.005 -8.993 5.384 1.00 0.00 C ATOM 372 CD1 ILE A 26 -3.546 -12.033 5.246 1.00 0.00 C ATOM 0 H ILE A 26 -0.469 -11.275 3.324 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.030 -8.926 2.870 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.450 -10.440 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.775 -10.799 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.344 -11.811 3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.583 -9.486 6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.368 -8.230 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.684 -8.527 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.131 -12.851 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.734 -12.439 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.187 -11.412 5.872 1.00 0.00 H new ATOM 383 N VAL A 27 -0.911 -7.018 3.914 1.00 0.00 N ATOM 384 CA VAL A 27 -0.165 -5.847 4.342 1.00 0.00 C ATOM 385 C VAL A 27 -0.788 -5.292 5.625 1.00 0.00 C ATOM 386 O VAL A 27 -1.925 -4.823 5.614 1.00 0.00 O ATOM 387 CB VAL A 27 -0.110 -4.819 3.211 1.00 0.00 C ATOM 388 CG1 VAL A 27 0.735 -3.607 3.610 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.412 -5.452 1.919 1.00 0.00 C ATOM 0 H VAL A 27 -1.826 -6.817 3.511 1.00 0.00 H new ATOM 0 HA VAL A 27 0.867 -6.114 4.570 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.126 -4.471 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.757 -2.892 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.300 -3.134 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.751 -3.931 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.441 -4.699 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.416 -5.843 2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.249 -6.265 1.620 1.00 0.00 H new ATOM 399 N LYS A 28 -0.016 -5.364 6.699 1.00 0.00 N ATOM 400 CA LYS A 28 -0.478 -4.874 7.987 1.00 0.00 C ATOM 401 C LYS A 28 0.205 -3.541 8.295 1.00 0.00 C ATOM 402 O LYS A 28 1.394 -3.371 8.027 1.00 0.00 O ATOM 403 CB LYS A 28 -0.271 -5.936 9.069 1.00 0.00 C ATOM 404 CG LYS A 28 -1.509 -6.825 9.209 1.00 0.00 C ATOM 405 CD LYS A 28 -1.126 -8.228 9.682 1.00 0.00 C ATOM 406 CE LYS A 28 -1.519 -9.282 8.647 1.00 0.00 C ATOM 407 NZ LYS A 28 -0.318 -9.808 7.959 1.00 0.00 N ATOM 0 H LYS A 28 0.926 -5.754 6.704 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.551 -4.684 7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.595 -6.549 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.057 -5.452 10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.205 -6.376 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.026 -6.889 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.052 -8.274 9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.619 -8.443 10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.052 -10.098 9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.202 -8.847 7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.584 -10.625 7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.089 -9.066 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.386 -10.103 8.666 1.00 0.00 H new ATOM 416 N CYS A 29 -0.575 -2.628 8.854 1.00 0.00 N ATOM 417 CA CYS A 29 -0.060 -1.315 9.202 1.00 0.00 C ATOM 418 C CYS A 29 1.050 -1.493 10.241 1.00 0.00 C ATOM 419 O CYS A 29 0.822 -2.063 11.306 1.00 0.00 O ATOM 420 CB CYS A 29 -1.169 -0.387 9.706 1.00 0.00 C ATOM 421 SG CYS A 29 -0.797 1.343 9.242 1.00 0.00 S ATOM 0 H CYS A 29 -1.560 -2.772 9.075 1.00 0.00 H new ATOM 0 HA CYS A 29 0.349 -0.836 8.313 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.127 -0.688 9.282 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.260 -0.470 10.789 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.312 2.149 10.123 1.00 0.00 H new ATOM 426 N ILE A 30 2.227 -0.994 9.893 1.00 0.00 N ATOM 427 CA ILE A 30 3.372 -1.092 10.781 1.00 0.00 C ATOM 428 C ILE A 30 3.119 -0.241 12.028 1.00 0.00 C ATOM 429 O ILE A 30 3.866 -0.324 13.001 1.00 0.00 O ATOM 430 CB ILE A 30 4.659 -0.725 10.038 1.00 0.00 C ATOM 431 CG1 ILE A 30 4.639 0.739 9.595 1.00 0.00 C ATOM 432 CG2 ILE A 30 4.903 -1.676 8.864 1.00 0.00 C ATOM 433 CD1 ILE A 30 6.001 1.398 9.817 1.00 0.00 C ATOM 0 H ILE A 30 2.412 -0.521 9.009 1.00 0.00 H new ATOM 0 HA ILE A 30 3.506 -2.120 11.117 1.00 0.00 H new ATOM 0 HB ILE A 30 5.496 -0.841 10.727 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.369 0.800 8.541 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.874 1.281 10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.823 -1.394 8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.992 -2.697 9.235 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.067 -1.615 8.167 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.959 2.438 9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.257 1.357 10.876 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.760 0.869 9.240 1.00 0.00 H new ATOM 444 N ILE A 31 2.064 0.557 11.956 1.00 0.00 N ATOM 445 CA ILE A 31 1.704 1.420 13.068 1.00 0.00 C ATOM 446 C ILE A 31 1.070 0.580 14.178 1.00 0.00 C ATOM 447 O ILE A 31 1.721 0.269 15.174 1.00 0.00 O ATOM 448 CB ILE A 31 0.817 2.571 12.586 1.00 0.00 C ATOM 449 CG1 ILE A 31 1.383 3.205 11.314 1.00 0.00 C ATOM 450 CG2 ILE A 31 0.606 3.603 13.695 1.00 0.00 C ATOM 451 CD1 ILE A 31 2.900 3.380 11.417 1.00 0.00 C ATOM 0 H ILE A 31 1.448 0.624 11.146 1.00 0.00 H new ATOM 0 HA ILE A 31 2.594 1.887 13.491 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.162 2.164 12.334 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.143 2.580 10.454 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.912 4.174 11.145 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.027 4.410 13.326 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.125 3.126 14.549 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.570 4.010 14.002 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.277 3.833 10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.135 4.025 12.263 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.370 2.407 11.561 1.00 0.00 H new ATOM 462 N CYS A 32 -0.192 0.236 13.969 1.00 0.00 N ATOM 463 CA CYS A 32 -0.920 -0.563 14.941 1.00 0.00 C ATOM 464 C CYS A 32 -0.882 -2.024 14.485 1.00 0.00 C ATOM 465 O CYS A 32 -0.568 -2.915 15.274 1.00 0.00 O ATOM 466 CB CYS A 32 -2.354 -0.060 15.125 1.00 0.00 C ATOM 467 SG CYS A 32 -3.302 -1.239 16.155 1.00 0.00 S ATOM 0 H CYS A 32 -0.729 0.495 13.142 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.445 -0.475 15.918 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.346 0.923 15.596 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.835 0.056 14.154 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.517 -0.803 16.307 1.00 0.00 H new ATOM 472 N GLY A 33 -1.206 -2.224 13.217 1.00 0.00 N ATOM 473 CA GLY A 33 -1.212 -3.561 12.649 1.00 0.00 C ATOM 474 C GLY A 33 -2.534 -3.847 11.933 1.00 0.00 C ATOM 475 O GLY A 33 -2.995 -4.987 11.904 1.00 0.00 O ATOM 0 H GLY A 33 -1.466 -1.483 12.566 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.384 -3.666 11.947 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.055 -4.296 13.438 1.00 0.00 H new ATOM 479 N ARG A 34 -3.107 -2.793 11.374 1.00 0.00 N ATOM 480 CA ARG A 34 -4.367 -2.915 10.660 1.00 0.00 C ATOM 481 C ARG A 34 -4.113 -3.213 9.181 1.00 0.00 C ATOM 482 O ARG A 34 -3.108 -2.778 8.621 1.00 0.00 O ATOM 483 CB ARG A 34 -5.195 -1.634 10.781 1.00 0.00 C ATOM 484 CG ARG A 34 -5.144 -0.825 9.484 1.00 0.00 C ATOM 485 CD ARG A 34 -5.813 0.541 9.662 1.00 0.00 C ATOM 486 NE ARG A 34 -6.894 0.446 10.669 1.00 0.00 N ATOM 487 CZ ARG A 34 -8.081 -0.159 10.451 1.00 0.00 C ATOM 488 NH1 ARG A 34 -8.350 -0.731 9.259 1.00 0.00 N ATOM 489 NH2 ARG A 34 -8.974 -0.184 11.423 1.00 0.00 N ATOM 0 H ARG A 34 -2.722 -1.849 11.401 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.924 -3.738 11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.229 -1.886 11.017 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.818 -1.030 11.606 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.107 -0.689 9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.643 -1.377 8.687 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.075 1.279 9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.220 0.883 8.710 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.732 0.864 11.585 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.654 -0.708 8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.249 -1.186 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.762 0.250 12.322 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.876 -0.637 11.275 1.00 0.00 H new ATOM 499 N THR A 35 -5.041 -3.953 8.592 1.00 0.00 N ATOM 500 CA THR A 35 -4.929 -4.314 7.189 1.00 0.00 C ATOM 501 C THR A 35 -5.086 -3.074 6.305 1.00 0.00 C ATOM 502 O THR A 35 -6.075 -2.351 6.415 1.00 0.00 O ATOM 503 CB THR A 35 -5.964 -5.402 6.898 1.00 0.00 C ATOM 504 OG1 THR A 35 -5.583 -6.480 7.748 1.00 0.00 O ATOM 505 CG2 THR A 35 -5.829 -5.976 5.486 1.00 0.00 C ATOM 0 H THR A 35 -5.873 -4.312 9.060 1.00 0.00 H new ATOM 0 HA THR A 35 -3.941 -4.714 6.961 1.00 0.00 H new ATOM 0 HB THR A 35 -6.966 -4.994 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.203 -7.229 7.625 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.587 -6.744 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 35 -5.965 -5.179 4.755 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.838 -6.414 5.365 1.00 0.00 H new ATOM 513 N VAL A 36 -4.096 -2.869 5.450 1.00 0.00 N ATOM 514 CA VAL A 36 -4.110 -1.729 4.548 1.00 0.00 C ATOM 515 C VAL A 36 -4.296 -2.224 3.112 1.00 0.00 C ATOM 516 O VAL A 36 -4.704 -1.461 2.237 1.00 0.00 O ATOM 517 CB VAL A 36 -2.840 -0.897 4.734 1.00 0.00 C ATOM 518 CG1 VAL A 36 -2.885 -0.113 6.047 1.00 0.00 C ATOM 519 CG2 VAL A 36 -1.592 -1.780 4.665 1.00 0.00 C ATOM 0 H VAL A 36 -3.278 -3.473 5.362 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.948 -1.071 4.777 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.788 -0.178 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.970 0.470 6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.744 0.558 6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.973 -0.807 6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.703 -1.164 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.635 -2.533 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.548 -2.273 3.694 1.00 0.00 H new ATOM 529 N ALA A 37 -3.988 -3.496 2.914 1.00 0.00 N ATOM 530 CA ALA A 37 -4.115 -4.102 1.599 1.00 0.00 C ATOM 531 C ALA A 37 -4.352 -5.605 1.756 1.00 0.00 C ATOM 532 O ALA A 37 -3.705 -6.257 2.572 1.00 0.00 O ATOM 533 CB ALA A 37 -2.868 -3.791 0.770 1.00 0.00 C ATOM 0 H ALA A 37 -3.650 -4.125 3.642 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.971 -3.687 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.964 -4.246 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.762 -2.711 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.988 -4.194 1.271 1.00 0.00 H new ATOM 539 N GLU A 38 -5.283 -6.111 0.959 1.00 0.00 N ATOM 540 CA GLU A 38 -5.612 -7.525 0.998 1.00 0.00 C ATOM 541 C GLU A 38 -5.397 -8.160 -0.378 1.00 0.00 C ATOM 542 O GLU A 38 -5.815 -7.606 -1.393 1.00 0.00 O ATOM 543 CB GLU A 38 -7.048 -7.740 1.482 1.00 0.00 C ATOM 544 CG GLU A 38 -7.069 -8.294 2.908 1.00 0.00 C ATOM 545 CD GLU A 38 -8.469 -8.785 3.285 1.00 0.00 C ATOM 546 OE1 GLU A 38 -8.945 -9.786 2.731 1.00 0.00 O ATOM 547 OE2 GLU A 38 -9.066 -8.084 4.189 1.00 0.00 O ATOM 0 H GLU A 38 -5.819 -5.567 0.283 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.946 -8.013 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.593 -6.796 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.562 -8.430 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.357 -9.115 2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.750 -7.521 3.607 1.00 0.00 H new ATOM 553 N PRO A 39 -4.727 -9.343 -0.366 1.00 0.00 N ATOM 554 CA PRO A 39 -4.450 -10.058 -1.600 1.00 0.00 C ATOM 555 C PRO A 39 -5.713 -10.739 -2.134 1.00 0.00 C ATOM 556 O PRO A 39 -6.077 -11.822 -1.681 1.00 0.00 O ATOM 557 CB PRO A 39 -3.349 -11.044 -1.246 1.00 0.00 C ATOM 558 CG PRO A 39 -3.374 -11.169 0.269 1.00 0.00 C ATOM 559 CD PRO A 39 -4.217 -10.029 0.817 1.00 0.00 C ATOM 0 HA PRO A 39 -4.130 -9.397 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.522 -12.010 -1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.379 -10.688 -1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.793 -12.130 0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.362 -11.124 0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.030 -10.402 1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.622 -9.359 1.437 1.00 0.00 H new ATOM 564 N THR A 40 -6.344 -10.074 -3.091 1.00 0.00 N ATOM 565 CA THR A 40 -7.558 -10.601 -3.692 1.00 0.00 C ATOM 566 C THR A 40 -7.217 -11.496 -4.885 1.00 0.00 C ATOM 567 O THR A 40 -6.105 -11.444 -5.407 1.00 0.00 O ATOM 568 CB THR A 40 -8.457 -9.418 -4.056 1.00 0.00 C ATOM 569 OG1 THR A 40 -9.726 -10.013 -4.317 1.00 0.00 O ATOM 570 CG2 THR A 40 -8.067 -8.775 -5.388 1.00 0.00 C ATOM 0 H THR A 40 -6.038 -9.176 -3.465 1.00 0.00 H new ATOM 0 HA THR A 40 -8.102 -11.238 -2.994 1.00 0.00 H new ATOM 0 HB THR A 40 -8.411 -8.670 -3.264 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.371 -9.316 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.736 -7.941 -5.599 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.041 -8.411 -5.330 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.145 -9.514 -6.185 1.00 0.00 H new ATOM 578 N GLY A 41 -8.196 -12.295 -5.283 1.00 0.00 N ATOM 579 CA GLY A 41 -8.014 -13.200 -6.405 1.00 0.00 C ATOM 580 C GLY A 41 -7.542 -12.444 -7.648 1.00 0.00 C ATOM 581 O GLY A 41 -8.338 -11.799 -8.328 1.00 0.00 O ATOM 0 H GLY A 41 -9.118 -12.334 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.286 -13.967 -6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.952 -13.711 -6.620 1.00 0.00 H new ATOM 585 N GLY A 42 -6.247 -12.547 -7.907 1.00 0.00 N ATOM 586 CA GLY A 42 -5.658 -11.881 -9.057 1.00 0.00 C ATOM 587 C GLY A 42 -5.176 -10.476 -8.688 1.00 0.00 C ATOM 588 O GLY A 42 -5.935 -9.512 -8.782 1.00 0.00 O ATOM 0 H GLY A 42 -5.589 -13.082 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.821 -12.469 -9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.391 -11.819 -9.861 1.00 0.00 H new ATOM 592 N LYS A 43 -3.919 -10.403 -8.278 1.00 0.00 N ATOM 593 CA LYS A 43 -3.328 -9.132 -7.895 1.00 0.00 C ATOM 594 C LYS A 43 -4.019 -8.613 -6.633 1.00 0.00 C ATOM 595 O LYS A 43 -5.245 -8.655 -6.530 1.00 0.00 O ATOM 596 CB LYS A 43 -3.367 -8.149 -9.067 1.00 0.00 C ATOM 597 CG LYS A 43 -2.094 -8.250 -9.910 1.00 0.00 C ATOM 598 CD LYS A 43 -2.046 -7.145 -10.966 1.00 0.00 C ATOM 599 CE LYS A 43 -1.688 -7.715 -12.340 1.00 0.00 C ATOM 600 NZ LYS A 43 -0.571 -6.953 -12.942 1.00 0.00 N ATOM 0 H LYS A 43 -3.292 -11.204 -8.202 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.273 -9.260 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.237 -8.355 -9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.478 -7.132 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.219 -8.178 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.052 -9.225 -10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.012 -6.643 -11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.311 -6.393 -10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.410 -8.765 -12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.558 -7.675 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.341 -7.353 -13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.850 -5.957 -13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.263 -7.013 -12.324 1.00 0.00 H new ATOM 609 N GLY A 44 -3.205 -8.134 -5.705 1.00 0.00 N ATOM 610 CA GLY A 44 -3.723 -7.606 -4.454 1.00 0.00 C ATOM 611 C GLY A 44 -4.505 -6.313 -4.687 1.00 0.00 C ATOM 612 O GLY A 44 -4.429 -5.723 -5.763 1.00 0.00 O ATOM 0 H GLY A 44 -2.189 -8.100 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.369 -8.346 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.899 -7.418 -3.766 1.00 0.00 H new ATOM 616 N ASN A 45 -5.239 -5.909 -3.660 1.00 0.00 N ATOM 617 CA ASN A 45 -6.034 -4.695 -3.739 1.00 0.00 C ATOM 618 C ASN A 45 -5.665 -3.772 -2.576 1.00 0.00 C ATOM 619 O ASN A 45 -5.620 -4.205 -1.426 1.00 0.00 O ATOM 620 CB ASN A 45 -7.528 -5.009 -3.639 1.00 0.00 C ATOM 621 CG ASN A 45 -8.292 -4.425 -4.829 1.00 0.00 C ATOM 622 OD1 ASN A 45 -7.720 -3.910 -5.775 1.00 0.00 O ATOM 623 ND2 ASN A 45 -9.614 -4.535 -4.729 1.00 0.00 N ATOM 0 H ASN A 45 -5.300 -6.401 -2.769 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.829 -4.219 -4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.675 -6.088 -3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.928 -4.601 -2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.213 -4.176 -5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.028 -4.978 -3.909 1.00 0.00 H new ATOM 629 N ILE A 46 -5.410 -2.517 -2.917 1.00 0.00 N ATOM 630 CA ILE A 46 -5.046 -1.530 -1.915 1.00 0.00 C ATOM 631 C ILE A 46 -6.314 -0.997 -1.245 1.00 0.00 C ATOM 632 O ILE A 46 -7.104 -0.293 -1.873 1.00 0.00 O ATOM 633 CB ILE A 46 -4.173 -0.436 -2.535 1.00 0.00 C ATOM 634 CG1 ILE A 46 -2.962 -1.039 -3.249 1.00 0.00 C ATOM 635 CG2 ILE A 46 -3.762 0.598 -1.483 1.00 0.00 C ATOM 636 CD1 ILE A 46 -1.838 -0.010 -3.387 1.00 0.00 C ATOM 0 H ILE A 46 -5.448 -2.162 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.440 -1.987 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.763 0.086 -3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.601 -1.904 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.257 -1.395 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.142 1.364 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.654 1.060 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.197 0.106 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.989 -0.465 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.195 0.843 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.528 0.326 -2.397 1.00 0.00 H new ATOM 647 N LYS A 47 -6.471 -1.357 0.020 1.00 0.00 N ATOM 648 CA LYS A 47 -7.630 -0.924 0.783 1.00 0.00 C ATOM 649 C LYS A 47 -7.279 0.345 1.560 1.00 0.00 C ATOM 650 O LYS A 47 -7.708 0.518 2.700 1.00 0.00 O ATOM 651 CB LYS A 47 -8.146 -2.063 1.665 1.00 0.00 C ATOM 652 CG LYS A 47 -7.958 -3.418 0.978 1.00 0.00 C ATOM 653 CD LYS A 47 -9.187 -4.307 1.175 1.00 0.00 C ATOM 654 CE LYS A 47 -9.163 -4.979 2.550 1.00 0.00 C ATOM 655 NZ LYS A 47 -9.938 -4.185 3.528 1.00 0.00 N ATOM 0 H LYS A 47 -5.815 -1.944 0.536 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.453 -0.671 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.617 -2.058 2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.202 -1.907 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.780 -3.268 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.076 -3.915 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.093 -3.709 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.219 -5.068 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.579 -5.984 2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.133 -5.084 2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.997 -4.704 4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.466 -3.272 3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.897 -4.020 3.160 1.00 0.00 H new ATOM 664 N ALA A 48 -6.504 1.203 0.912 1.00 0.00 N ATOM 665 CA ALA A 48 -6.091 2.452 1.528 1.00 0.00 C ATOM 666 C ALA A 48 -5.993 3.538 0.455 1.00 0.00 C ATOM 667 O ALA A 48 -5.852 3.234 -0.729 1.00 0.00 O ATOM 668 CB ALA A 48 -4.769 2.244 2.269 1.00 0.00 C ATOM 0 H ALA A 48 -6.151 1.057 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.828 2.779 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.459 3.181 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.900 1.485 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.004 1.917 1.564 1.00 0.00 H new ATOM 674 N GLU A 49 -6.070 4.780 0.906 1.00 0.00 N ATOM 675 CA GLU A 49 -5.991 5.912 -0.001 1.00 0.00 C ATOM 676 C GLU A 49 -4.555 6.101 -0.491 1.00 0.00 C ATOM 677 O GLU A 49 -3.643 6.299 0.310 1.00 0.00 O ATOM 678 CB GLU A 49 -6.516 7.186 0.664 1.00 0.00 C ATOM 679 CG GLU A 49 -6.476 8.369 -0.306 1.00 0.00 C ATOM 680 CD GLU A 49 -7.518 9.423 0.071 1.00 0.00 C ATOM 681 OE1 GLU A 49 -8.700 9.091 0.245 1.00 0.00 O ATOM 682 OE2 GLU A 49 -7.063 10.625 0.184 1.00 0.00 O ATOM 0 H GLU A 49 -6.186 5.028 1.888 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.624 5.705 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.538 7.027 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.917 7.414 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.482 8.816 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.660 8.018 -1.321 1.00 0.00 H new ATOM 688 N ILE A 50 -4.397 6.035 -1.805 1.00 0.00 N ATOM 689 CA ILE A 50 -3.086 6.196 -2.411 1.00 0.00 C ATOM 690 C ILE A 50 -2.801 7.685 -2.610 1.00 0.00 C ATOM 691 O ILE A 50 -3.713 8.465 -2.882 1.00 0.00 O ATOM 692 CB ILE A 50 -2.986 5.373 -3.697 1.00 0.00 C ATOM 693 CG1 ILE A 50 -3.442 3.931 -3.463 1.00 0.00 C ATOM 694 CG2 ILE A 50 -1.573 5.439 -4.281 1.00 0.00 C ATOM 695 CD1 ILE A 50 -2.812 2.984 -4.486 1.00 0.00 C ATOM 0 H ILE A 50 -5.156 5.872 -2.467 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.310 5.808 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.661 5.808 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.168 3.618 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.528 3.874 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.529 4.846 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.321 6.475 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.861 5.043 -3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.152 1.966 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.108 3.285 -5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.726 3.025 -4.400 1.00 0.00 H new ATOM 706 N ILE A 51 -1.531 8.037 -2.466 1.00 0.00 N ATOM 707 CA ILE A 51 -1.115 9.419 -2.627 1.00 0.00 C ATOM 708 C ILE A 51 -0.382 9.575 -3.961 1.00 0.00 C ATOM 709 O ILE A 51 -0.959 10.051 -4.937 1.00 0.00 O ATOM 710 CB ILE A 51 -0.294 9.875 -1.418 1.00 0.00 C ATOM 711 CG1 ILE A 51 -1.206 10.329 -0.276 1.00 0.00 C ATOM 712 CG2 ILE A 51 0.710 10.958 -1.815 1.00 0.00 C ATOM 713 CD1 ILE A 51 -1.794 9.128 0.466 1.00 0.00 C ATOM 0 H ILE A 51 -0.777 7.388 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.984 10.077 -2.661 1.00 0.00 H new ATOM 0 HB ILE A 51 0.279 9.023 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.642 10.950 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.012 10.946 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.280 11.264 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.390 10.565 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.176 11.818 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.438 9.478 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.377 8.522 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.986 8.526 0.882 1.00 0.00 H new ATOM 724 N GLU A 52 0.877 9.164 -3.960 1.00 0.00 N ATOM 725 CA GLU A 52 1.694 9.251 -5.158 1.00 0.00 C ATOM 726 C GLU A 52 2.804 8.198 -5.122 1.00 0.00 C ATOM 727 O GLU A 52 2.786 7.301 -4.281 1.00 0.00 O ATOM 728 CB GLU A 52 2.277 10.656 -5.323 1.00 0.00 C ATOM 729 CG GLU A 52 3.523 10.838 -4.456 1.00 0.00 C ATOM 730 CD GLU A 52 3.728 12.311 -4.092 1.00 0.00 C ATOM 731 OE1 GLU A 52 3.986 13.139 -4.979 1.00 0.00 O ATOM 732 OE2 GLU A 52 3.608 12.584 -2.837 1.00 0.00 O ATOM 0 H GLU A 52 1.352 8.770 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 52 1.059 9.052 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.529 10.828 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.528 11.399 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.427 10.245 -3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.398 10.466 -4.988 1.00 0.00 H new ATOM 738 N TYR A 53 3.744 8.343 -6.045 1.00 0.00 N ATOM 739 CA TYR A 53 4.859 7.417 -6.129 1.00 0.00 C ATOM 740 C TYR A 53 5.958 7.789 -5.132 1.00 0.00 C ATOM 741 O TYR A 53 6.161 8.966 -4.838 1.00 0.00 O ATOM 742 CB TYR A 53 5.411 7.548 -7.550 1.00 0.00 C ATOM 743 CG TYR A 53 4.585 6.815 -8.609 1.00 0.00 C ATOM 744 CD1 TYR A 53 3.476 7.423 -9.162 1.00 0.00 C ATOM 745 CD2 TYR A 53 4.949 5.546 -9.010 1.00 0.00 C ATOM 746 CE1 TYR A 53 2.698 6.733 -10.158 1.00 0.00 C ATOM 747 CE2 TYR A 53 4.171 4.856 -10.007 1.00 0.00 C ATOM 748 CZ TYR A 53 3.085 5.483 -10.532 1.00 0.00 C ATOM 749 OH TYR A 53 2.350 4.831 -11.473 1.00 0.00 O ATOM 0 H TYR A 53 3.755 9.089 -6.741 1.00 0.00 H new ATOM 0 HA TYR A 53 4.533 6.403 -5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.463 8.605 -7.812 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.431 7.164 -7.569 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.192 8.416 -8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.816 5.070 -8.577 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.828 7.197 -10.598 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.444 3.862 -10.330 1.00 0.00 H new ATOM 0 HH TYR A 53 2.743 3.950 -11.642 1.00 0.00 H new ATOM 758 N VAL A 54 6.638 6.764 -4.640 1.00 0.00 N ATOM 759 CA VAL A 54 7.712 6.970 -3.682 1.00 0.00 C ATOM 760 C VAL A 54 9.039 7.102 -4.430 1.00 0.00 C ATOM 761 O VAL A 54 9.088 6.942 -5.649 1.00 0.00 O ATOM 762 CB VAL A 54 7.716 5.838 -2.652 1.00 0.00 C ATOM 763 CG1 VAL A 54 7.711 6.395 -1.226 1.00 0.00 C ATOM 764 CG2 VAL A 54 6.537 4.889 -2.873 1.00 0.00 C ATOM 0 H VAL A 54 6.467 5.789 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 54 7.558 7.896 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 54 8.635 5.267 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.714 5.570 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.598 7.010 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.818 7.001 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.565 4.094 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.602 5.442 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.603 4.453 -3.870 1.00 0.00 H new ATOM 774 N ASP A 55 10.084 7.393 -3.670 1.00 0.00 N ATOM 775 CA ASP A 55 11.410 7.549 -4.246 1.00 0.00 C ATOM 776 C ASP A 55 12.235 6.293 -3.962 1.00 0.00 C ATOM 777 O ASP A 55 13.321 6.121 -4.514 1.00 0.00 O ATOM 778 CB ASP A 55 12.140 8.744 -3.631 1.00 0.00 C ATOM 779 CG ASP A 55 12.761 9.711 -4.641 1.00 0.00 C ATOM 780 OD1 ASP A 55 13.459 9.294 -5.578 1.00 0.00 O ATOM 781 OD2 ASP A 55 12.501 10.958 -4.434 1.00 0.00 O ATOM 0 H ASP A 55 10.040 7.525 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 55 11.296 7.709 -5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.439 9.296 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.927 8.372 -2.975 1.00 0.00 H new ATOM 786 N GLN A 56 11.690 5.447 -3.099 1.00 0.00 N ATOM 787 CA GLN A 56 12.363 4.212 -2.734 1.00 0.00 C ATOM 788 C GLN A 56 12.258 3.194 -3.872 1.00 0.00 C ATOM 789 O GLN A 56 11.320 2.399 -3.913 1.00 0.00 O ATOM 790 CB GLN A 56 11.795 3.641 -1.434 1.00 0.00 C ATOM 791 CG GLN A 56 10.265 3.628 -1.463 1.00 0.00 C ATOM 792 CD GLN A 56 9.717 2.314 -0.902 1.00 0.00 C ATOM 793 OE1 GLN A 56 9.409 1.381 -1.625 1.00 0.00 O ATOM 794 NE2 GLN A 56 9.614 2.293 0.424 1.00 0.00 N ATOM 0 H GLN A 56 10.790 5.593 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 56 13.417 4.432 -2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.168 2.628 -1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.141 4.236 -0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.880 4.465 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.916 3.764 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.890 3.109 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.259 1.461 0.895 1.00 0.00 H new ATOM 801 N ILE A 57 13.232 3.252 -4.767 1.00 0.00 N ATOM 802 CA ILE A 57 13.261 2.345 -5.903 1.00 0.00 C ATOM 803 C ILE A 57 13.827 0.995 -5.458 1.00 0.00 C ATOM 804 O ILE A 57 14.343 0.870 -4.348 1.00 0.00 O ATOM 805 CB ILE A 57 14.019 2.975 -7.073 1.00 0.00 C ATOM 806 CG1 ILE A 57 13.643 4.448 -7.241 1.00 0.00 C ATOM 807 CG2 ILE A 57 13.802 2.177 -8.360 1.00 0.00 C ATOM 808 CD1 ILE A 57 14.377 5.069 -8.430 1.00 0.00 C ATOM 0 H ILE A 57 14.008 3.913 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 57 12.251 2.162 -6.270 1.00 0.00 H new ATOM 0 HB ILE A 57 15.085 2.939 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 57 12.566 4.538 -7.386 1.00 0.00 H new ATOM 0 HG13 ILE A 57 13.889 4.996 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 57 14.352 2.646 -9.176 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.160 1.157 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 57 12.739 2.158 -8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.092 6.117 -8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 57 15.453 4.999 -8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.110 4.534 -9.342 1.00 0.00 H new ATOM 819 N GLU A 58 13.712 0.020 -6.346 1.00 0.00 N ATOM 820 CA GLU A 58 14.206 -1.316 -6.058 1.00 0.00 C ATOM 821 C GLU A 58 15.647 -1.467 -6.551 1.00 0.00 C ATOM 822 O GLU A 58 16.425 -0.514 -6.502 1.00 0.00 O ATOM 823 CB GLU A 58 13.301 -2.381 -6.681 1.00 0.00 C ATOM 824 CG GLU A 58 13.182 -3.602 -5.766 1.00 0.00 C ATOM 825 CD GLU A 58 11.722 -3.865 -5.390 1.00 0.00 C ATOM 826 OE1 GLU A 58 11.379 -3.868 -4.198 1.00 0.00 O ATOM 827 OE2 GLU A 58 10.930 -4.070 -6.388 1.00 0.00 O ATOM 0 H GLU A 58 13.284 0.128 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 58 14.194 -1.461 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.312 -1.961 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.702 -2.684 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.596 -4.478 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.771 -3.443 -4.863 1.00 0.00 H new TER 833 GLU A 58