USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 553 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 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 SER OG : rot -92:sc= 0.138 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.00704 USER MOD Set 3.1: A 15 LYS NZ :NH3+ 179:sc= 2.31 (180deg=1.16) USER MOD Set 3.2: A 17 TYR OH : rot -119:sc= 1.86 USER MOD Set 4.1: A 3 THR OG1 : rot 160:sc= 0.676 USER MOD Set 4.2: A 53 GLN : amide:sc= 1.22 K(o=1.9,f=0.98) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.117 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 78:sc= 1.31 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -88:sc= 1.38 USER MOD Single : A 10 SER OG : rot 180:sc= 0.128 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.119 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 79:sc= -0.777! USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= -0.668 (180deg=-0.998) USER MOD Single : A 62 LYS NZ :NH3+ 155:sc= 1.19 (180deg=-0.226) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0876 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 79 ASN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.197 7.361 7.974 1.00 0.00 N ATOM 2 CA ALA A 1 -7.620 6.298 7.124 1.00 0.00 C ATOM 3 C ALA A 1 -8.386 5.001 7.308 1.00 0.00 C ATOM 4 O ALA A 1 -9.209 4.884 8.214 1.00 0.00 O ATOM 5 CB ALA A 1 -6.150 6.094 7.458 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.598 8.108 7.372 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.947 6.959 8.572 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.453 7.765 8.577 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.701 6.605 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.739 5.308 6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.605 7.022 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.051 5.805 8.504 1.00 0.00 H new ATOM 13 N THR A 2 -8.118 4.029 6.453 1.00 0.00 N ATOM 14 CA THR A 2 -8.776 2.742 6.557 1.00 0.00 C ATOM 15 C THR A 2 -8.125 1.881 7.635 1.00 0.00 C ATOM 16 O THR A 2 -6.999 1.411 7.473 1.00 0.00 O ATOM 17 CB THR A 2 -8.725 1.983 5.218 1.00 0.00 C ATOM 18 OG1 THR A 2 -8.086 2.792 4.217 1.00 0.00 O ATOM 19 CG2 THR A 2 -10.125 1.602 4.762 1.00 0.00 C ATOM 0 H THR A 2 -7.453 4.107 5.684 1.00 0.00 H new ATOM 0 HA THR A 2 -9.815 2.934 6.824 1.00 0.00 H new ATOM 0 HB THR A 2 -8.148 1.070 5.362 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.115 2.764 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.066 1.067 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.590 0.962 5.512 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.724 2.504 4.633 1.00 0.00 H new ATOM 27 N THR A 3 -8.828 1.693 8.740 1.00 0.00 N ATOM 28 CA THR A 3 -8.353 0.811 9.790 1.00 0.00 C ATOM 29 C THR A 3 -8.639 -0.636 9.415 1.00 0.00 C ATOM 30 O THR A 3 -9.793 -1.018 9.218 1.00 0.00 O ATOM 31 CB THR A 3 -9.016 1.136 11.140 1.00 0.00 C ATOM 32 OG1 THR A 3 -9.116 2.556 11.303 1.00 0.00 O ATOM 33 CG2 THR A 3 -8.213 0.546 12.292 1.00 0.00 C ATOM 0 H THR A 3 -9.726 2.138 8.931 1.00 0.00 H new ATOM 0 HA THR A 3 -7.278 0.961 9.895 1.00 0.00 H new ATOM 0 HB THR A 3 -10.013 0.695 11.148 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.799 2.761 11.975 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.700 0.788 13.237 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.157 -0.537 12.180 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.206 0.964 12.285 1.00 0.00 H new ATOM 41 N ILE A 4 -7.581 -1.421 9.298 1.00 0.00 N ATOM 42 CA ILE A 4 -7.694 -2.810 8.881 1.00 0.00 C ATOM 43 C ILE A 4 -8.382 -3.647 9.957 1.00 0.00 C ATOM 44 O ILE A 4 -7.899 -3.739 11.089 1.00 0.00 O ATOM 45 CB ILE A 4 -6.302 -3.402 8.558 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.670 -2.647 7.382 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.405 -4.889 8.244 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.157 -2.756 7.316 1.00 0.00 C ATOM 0 H ILE A 4 -6.626 -1.117 9.488 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.303 -2.838 7.977 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.665 -3.286 9.435 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.092 -3.027 6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.945 -1.594 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.414 -5.283 8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.819 -5.415 9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.057 -5.035 7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.789 -2.195 6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.723 -2.348 8.229 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.872 -3.803 7.215 1.00 0.00 H new ATOM 60 N GLY A 5 -9.518 -4.232 9.592 1.00 0.00 N ATOM 61 CA GLY A 5 -10.265 -5.062 10.516 1.00 0.00 C ATOM 62 C GLY A 5 -10.013 -6.539 10.288 1.00 0.00 C ATOM 63 O GLY A 5 -9.247 -6.902 9.399 1.00 0.00 O ATOM 0 H GLY A 5 -9.936 -4.144 8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.992 -4.802 11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.330 -4.856 10.408 1.00 0.00 H new ATOM 67 N PRO A 6 -10.662 -7.415 11.072 1.00 0.00 N ATOM 68 CA PRO A 6 -10.458 -8.871 10.990 1.00 0.00 C ATOM 69 C PRO A 6 -11.012 -9.477 9.703 1.00 0.00 C ATOM 70 O PRO A 6 -10.404 -10.370 9.115 1.00 0.00 O ATOM 71 CB PRO A 6 -11.231 -9.403 12.197 1.00 0.00 C ATOM 72 CG PRO A 6 -12.281 -8.377 12.447 1.00 0.00 C ATOM 73 CD PRO A 6 -11.647 -7.058 12.110 1.00 0.00 C ATOM 0 HA PRO A 6 -9.399 -9.128 10.988 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.670 -10.378 11.989 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.580 -9.525 13.063 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.161 -8.558 11.829 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.611 -8.399 13.486 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.380 -6.341 11.740 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.170 -6.606 12.980 1.00 0.00 H new ATOM 81 N ASN A 7 -12.165 -8.983 9.270 1.00 0.00 N ATOM 82 CA ASN A 7 -12.815 -9.493 8.068 1.00 0.00 C ATOM 83 C ASN A 7 -12.406 -8.662 6.857 1.00 0.00 C ATOM 84 O ASN A 7 -13.248 -8.134 6.129 1.00 0.00 O ATOM 85 CB ASN A 7 -14.338 -9.479 8.243 1.00 0.00 C ATOM 86 CG ASN A 7 -14.915 -10.875 8.409 1.00 0.00 C ATOM 87 OD1 ASN A 7 -15.117 -11.597 7.433 1.00 0.00 O ATOM 88 ND2 ASN A 7 -15.198 -11.257 9.643 1.00 0.00 N ATOM 0 H ASN A 7 -12.671 -8.228 9.734 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.497 -10.522 7.904 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.595 -8.877 9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.796 -9.000 7.378 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.599 -12.180 9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.016 -10.629 10.426 1.00 0.00 H new ATOM 95 N THR A 8 -11.100 -8.548 6.655 1.00 0.00 N ATOM 96 CA THR A 8 -10.549 -7.733 5.584 1.00 0.00 C ATOM 97 C THR A 8 -10.719 -8.406 4.226 1.00 0.00 C ATOM 98 O THR A 8 -11.295 -7.830 3.303 1.00 0.00 O ATOM 99 CB THR A 8 -9.056 -7.462 5.831 1.00 0.00 C ATOM 100 OG1 THR A 8 -8.650 -8.094 7.052 1.00 0.00 O ATOM 101 CG2 THR A 8 -8.782 -5.968 5.895 1.00 0.00 C ATOM 0 H THR A 8 -10.397 -9.016 7.227 1.00 0.00 H new ATOM 0 HA THR A 8 -11.098 -6.791 5.576 1.00 0.00 H new ATOM 0 HB THR A 8 -8.482 -7.875 5.002 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.804 -7.484 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.719 -5.800 6.070 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.072 -5.504 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.358 -5.527 6.708 1.00 0.00 H new ATOM 109 N CYS A 9 -10.225 -9.627 4.115 1.00 0.00 N ATOM 110 CA CYS A 9 -10.273 -10.354 2.860 1.00 0.00 C ATOM 111 C CYS A 9 -11.622 -11.034 2.670 1.00 0.00 C ATOM 112 O CYS A 9 -12.080 -11.794 3.526 1.00 0.00 O ATOM 113 CB CYS A 9 -9.150 -11.391 2.808 1.00 0.00 C ATOM 114 SG CYS A 9 -7.475 -10.673 2.842 1.00 0.00 S ATOM 0 H CYS A 9 -9.785 -10.136 4.882 1.00 0.00 H new ATOM 0 HA CYS A 9 -10.137 -9.638 2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.259 -12.072 3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -9.261 -11.986 1.902 1.00 0.00 H new ATOM 119 N SER A 10 -12.272 -10.724 1.557 1.00 0.00 N ATOM 120 CA SER A 10 -13.493 -11.404 1.165 1.00 0.00 C ATOM 121 C SER A 10 -13.143 -12.743 0.531 1.00 0.00 C ATOM 122 O SER A 10 -13.954 -13.665 0.484 1.00 0.00 O ATOM 123 CB SER A 10 -14.262 -10.532 0.180 1.00 0.00 C ATOM 124 OG SER A 10 -13.492 -9.393 -0.169 1.00 0.00 O ATOM 0 H SER A 10 -11.969 -9.999 0.906 1.00 0.00 H new ATOM 0 HA SER A 10 -14.118 -11.582 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.502 -11.106 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.208 -10.219 0.621 1.00 0.00 H new ATOM 0 HG SER A 10 -13.994 -8.840 -0.803 1.00 0.00 H new ATOM 130 N ILE A 11 -11.917 -12.819 0.035 1.00 0.00 N ATOM 131 CA ILE A 11 -11.378 -14.048 -0.516 1.00 0.00 C ATOM 132 C ILE A 11 -10.871 -14.938 0.611 1.00 0.00 C ATOM 133 O ILE A 11 -10.202 -14.464 1.532 1.00 0.00 O ATOM 134 CB ILE A 11 -10.226 -13.776 -1.512 1.00 0.00 C ATOM 135 CG1 ILE A 11 -9.338 -12.621 -1.014 1.00 0.00 C ATOM 136 CG2 ILE A 11 -10.783 -13.494 -2.902 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.666 -11.265 -1.609 1.00 0.00 C ATOM 0 H ILE A 11 -11.271 -12.030 0.004 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.181 -14.547 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.601 -14.666 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.424 -12.557 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.298 -12.858 -1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.961 -13.304 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.355 -14.356 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.433 -12.620 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.989 -10.515 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.551 -11.305 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.694 -10.999 -1.363 1.00 0.00 H new ATOM 149 N ASP A 12 -11.204 -16.216 0.546 1.00 0.00 N ATOM 150 CA ASP A 12 -10.833 -17.155 1.601 1.00 0.00 C ATOM 151 C ASP A 12 -9.401 -17.646 1.424 1.00 0.00 C ATOM 152 O ASP A 12 -8.959 -17.891 0.301 1.00 0.00 O ATOM 153 CB ASP A 12 -11.792 -18.346 1.616 1.00 0.00 C ATOM 154 CG ASP A 12 -11.581 -19.246 2.819 1.00 0.00 C ATOM 155 OD1 ASP A 12 -11.492 -18.721 3.946 1.00 0.00 O ATOM 156 OD2 ASP A 12 -11.513 -20.480 2.645 1.00 0.00 O ATOM 0 H ASP A 12 -11.730 -16.631 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.900 -16.629 2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.819 -17.981 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.659 -18.927 0.704 1.00 0.00 H new ATOM 161 N ASP A 13 -8.697 -17.779 2.548 1.00 0.00 N ATOM 162 CA ASP A 13 -7.318 -18.276 2.576 1.00 0.00 C ATOM 163 C ASP A 13 -6.355 -17.265 1.962 1.00 0.00 C ATOM 164 O ASP A 13 -5.528 -17.604 1.114 1.00 0.00 O ATOM 165 CB ASP A 13 -7.192 -19.635 1.871 1.00 0.00 C ATOM 166 CG ASP A 13 -5.887 -20.339 2.194 1.00 0.00 C ATOM 167 OD1 ASP A 13 -5.510 -20.392 3.383 1.00 0.00 O ATOM 168 OD2 ASP A 13 -5.225 -20.841 1.259 1.00 0.00 O ATOM 0 H ASP A 13 -9.067 -17.545 3.469 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.048 -18.415 3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.027 -20.272 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.266 -19.490 0.793 1.00 0.00 H new ATOM 173 N TYR A 14 -6.468 -16.016 2.391 1.00 0.00 N ATOM 174 CA TYR A 14 -5.584 -14.967 1.911 1.00 0.00 C ATOM 175 C TYR A 14 -5.095 -14.100 3.061 1.00 0.00 C ATOM 176 O TYR A 14 -5.774 -13.959 4.077 1.00 0.00 O ATOM 177 CB TYR A 14 -6.294 -14.106 0.868 1.00 0.00 C ATOM 178 CG TYR A 14 -6.015 -14.545 -0.546 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.810 -14.239 -1.158 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.949 -15.277 -1.260 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.542 -14.647 -2.447 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.691 -15.695 -2.550 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.486 -15.375 -3.140 1.00 0.00 C ATOM 184 OH TYR A 14 -5.220 -15.792 -4.424 1.00 0.00 O ATOM 0 H TYR A 14 -7.163 -15.706 3.070 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.719 -15.441 1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.369 -14.139 1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.983 -13.068 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.068 -13.671 -0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.894 -15.525 -0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.599 -14.398 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.427 -16.268 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.987 -16.294 -4.770 1.00 0.00 H new ATOM 194 N LYS A 15 -3.902 -13.540 2.903 1.00 0.00 N ATOM 195 CA LYS A 15 -3.323 -12.664 3.913 1.00 0.00 C ATOM 196 C LYS A 15 -3.537 -11.209 3.527 1.00 0.00 C ATOM 197 O LYS A 15 -3.341 -10.835 2.368 1.00 0.00 O ATOM 198 CB LYS A 15 -1.824 -12.933 4.067 1.00 0.00 C ATOM 199 CG LYS A 15 -1.488 -14.340 4.530 1.00 0.00 C ATOM 200 CD LYS A 15 0.006 -14.495 4.788 1.00 0.00 C ATOM 201 CE LYS A 15 0.780 -14.670 3.492 1.00 0.00 C ATOM 202 NZ LYS A 15 2.160 -14.125 3.586 1.00 0.00 N ATOM 0 H LYS A 15 -3.314 -13.678 2.081 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.818 -12.866 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.333 -12.750 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.410 -12.220 4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.042 -14.568 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.806 -15.059 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.377 -13.619 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.177 -15.356 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.826 -15.729 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.248 -14.170 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.657 -14.281 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.118 -13.105 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.672 -14.607 4.352 1.00 0.00 H new ATOM 216 N PRO A 16 -3.949 -10.371 4.487 1.00 0.00 N ATOM 217 CA PRO A 16 -4.160 -8.948 4.255 1.00 0.00 C ATOM 218 C PRO A 16 -2.840 -8.186 4.217 1.00 0.00 C ATOM 219 O PRO A 16 -1.924 -8.469 4.996 1.00 0.00 O ATOM 220 CB PRO A 16 -5.010 -8.495 5.454 1.00 0.00 C ATOM 221 CG PRO A 16 -5.311 -9.735 6.238 1.00 0.00 C ATOM 222 CD PRO A 16 -4.255 -10.737 5.870 1.00 0.00 C ATOM 0 HA PRO A 16 -4.641 -8.757 3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.470 -7.770 6.063 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.928 -8.011 5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.296 -9.531 7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.305 -10.113 6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.379 -10.661 6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.620 -11.761 5.949 1.00 0.00 H new ATOM 230 N TYR A 17 -2.742 -7.234 3.309 1.00 0.00 N ATOM 231 CA TYR A 17 -1.533 -6.448 3.153 1.00 0.00 C ATOM 232 C TYR A 17 -1.861 -4.974 2.976 1.00 0.00 C ATOM 233 O TYR A 17 -2.821 -4.615 2.291 1.00 0.00 O ATOM 234 CB TYR A 17 -0.731 -6.941 1.948 1.00 0.00 C ATOM 235 CG TYR A 17 0.116 -8.155 2.243 1.00 0.00 C ATOM 236 CD1 TYR A 17 1.367 -8.026 2.833 1.00 0.00 C ATOM 237 CD2 TYR A 17 -0.339 -9.430 1.939 1.00 0.00 C ATOM 238 CE1 TYR A 17 2.141 -9.135 3.108 1.00 0.00 C ATOM 239 CE2 TYR A 17 0.425 -10.543 2.211 1.00 0.00 C ATOM 240 CZ TYR A 17 1.666 -10.392 2.795 1.00 0.00 C ATOM 241 OH TYR A 17 2.428 -11.504 3.068 1.00 0.00 O ATOM 0 H TYR A 17 -3.491 -6.985 2.664 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.937 -6.567 4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.419 -7.177 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.087 -6.135 1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.740 -7.043 3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.309 -9.552 1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.113 -9.020 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.055 -11.528 1.969 1.00 0.00 H new ATOM 0 HH TYR A 17 2.622 -11.981 2.234 1.00 0.00 H new ATOM 251 N CYS A 18 -1.063 -4.128 3.600 1.00 0.00 N ATOM 252 CA CYS A 18 -1.190 -2.693 3.435 1.00 0.00 C ATOM 253 C CYS A 18 -0.022 -2.187 2.598 1.00 0.00 C ATOM 254 O CYS A 18 1.137 -2.281 3.012 1.00 0.00 O ATOM 255 CB CYS A 18 -1.225 -1.996 4.798 1.00 0.00 C ATOM 256 SG CYS A 18 -0.992 -0.184 4.734 1.00 0.00 S ATOM 0 H CYS A 18 -0.314 -4.414 4.231 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.125 -2.465 2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.181 -2.209 5.276 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.449 -2.426 5.431 1.00 0.00 H new ATOM 261 N CYS A 19 -0.323 -1.696 1.409 1.00 0.00 N ATOM 262 CA CYS A 19 0.705 -1.227 0.499 1.00 0.00 C ATOM 263 C CYS A 19 0.627 0.282 0.329 1.00 0.00 C ATOM 264 O CYS A 19 -0.455 0.837 0.116 1.00 0.00 O ATOM 265 CB CYS A 19 0.563 -1.909 -0.863 1.00 0.00 C ATOM 266 SG CYS A 19 0.260 -3.706 -0.773 1.00 0.00 S ATOM 0 H CYS A 19 -1.274 -1.612 1.051 1.00 0.00 H new ATOM 0 HA CYS A 19 1.675 -1.481 0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.257 -1.441 -1.407 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.470 -1.734 -1.441 1.00 0.00 H new ATOM 271 N GLN A 20 1.773 0.938 0.429 1.00 0.00 N ATOM 272 CA GLN A 20 1.853 2.380 0.257 1.00 0.00 C ATOM 273 C GLN A 20 1.875 2.727 -1.225 1.00 0.00 C ATOM 274 O GLN A 20 2.742 2.264 -1.964 1.00 0.00 O ATOM 275 CB GLN A 20 3.115 2.925 0.933 1.00 0.00 C ATOM 276 CG GLN A 20 2.897 3.387 2.367 1.00 0.00 C ATOM 277 CD GLN A 20 4.205 3.680 3.081 1.00 0.00 C ATOM 278 OE1 GLN A 20 4.984 2.773 3.380 1.00 0.00 O ATOM 279 NE2 GLN A 20 4.453 4.948 3.371 1.00 0.00 N ATOM 0 H GLN A 20 2.667 0.490 0.630 1.00 0.00 H new ATOM 0 HA GLN A 20 0.978 2.836 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.883 2.152 0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.497 3.761 0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.276 4.283 2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.350 2.620 2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.784 5.672 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.313 5.201 3.858 1.00 0.00 H new ATOM 288 N SER A 21 0.908 3.521 -1.659 1.00 0.00 N ATOM 289 CA SER A 21 0.855 3.968 -3.041 1.00 0.00 C ATOM 290 C SER A 21 1.909 5.045 -3.284 1.00 0.00 C ATOM 291 O SER A 21 1.621 6.239 -3.217 1.00 0.00 O ATOM 292 CB SER A 21 -0.547 4.500 -3.359 1.00 0.00 C ATOM 293 OG SER A 21 -1.408 4.383 -2.232 1.00 0.00 O ATOM 0 H SER A 21 0.149 3.869 -1.073 1.00 0.00 H new ATOM 0 HA SER A 21 1.067 3.127 -3.701 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.482 5.544 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.967 3.948 -4.200 1.00 0.00 H new ATOM 0 HG SER A 21 -1.881 3.526 -2.270 1.00 0.00 H new ATOM 299 N MET A 22 3.134 4.612 -3.554 1.00 0.00 N ATOM 300 CA MET A 22 4.253 5.528 -3.710 1.00 0.00 C ATOM 301 C MET A 22 4.245 6.172 -5.089 1.00 0.00 C ATOM 302 O MET A 22 3.760 5.589 -6.062 1.00 0.00 O ATOM 303 CB MET A 22 5.581 4.798 -3.470 1.00 0.00 C ATOM 304 CG MET A 22 6.015 3.902 -4.622 1.00 0.00 C ATOM 305 SD MET A 22 5.345 2.232 -4.500 1.00 0.00 S ATOM 306 CE MET A 22 5.978 1.505 -6.010 1.00 0.00 C ATOM 0 H MET A 22 3.377 3.628 -3.670 1.00 0.00 H new ATOM 0 HA MET A 22 4.148 6.318 -2.966 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.361 5.537 -3.285 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.493 4.194 -2.567 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.696 4.349 -5.564 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.104 3.851 -4.646 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.649 0.468 -6.081 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.604 2.064 -6.868 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.067 1.540 -6.002 1.00 0.00 H new ATOM 316 N SER A 23 4.778 7.379 -5.162 1.00 0.00 N ATOM 317 CA SER A 23 4.827 8.128 -6.408 1.00 0.00 C ATOM 318 C SER A 23 6.082 7.771 -7.200 1.00 0.00 C ATOM 319 O SER A 23 6.991 8.590 -7.351 1.00 0.00 O ATOM 320 CB SER A 23 4.801 9.623 -6.109 1.00 0.00 C ATOM 321 OG SER A 23 4.972 9.863 -4.723 1.00 0.00 O ATOM 0 H SER A 23 5.187 7.866 -4.365 1.00 0.00 H new ATOM 0 HA SER A 23 3.957 7.867 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.590 10.124 -6.669 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.854 10.048 -6.442 1.00 0.00 H new ATOM 0 HG SER A 23 4.954 10.828 -4.553 1.00 0.00 H new ATOM 327 N GLY A 24 6.130 6.545 -7.692 1.00 0.00 N ATOM 328 CA GLY A 24 7.281 6.100 -8.446 1.00 0.00 C ATOM 329 C GLY A 24 6.902 5.586 -9.816 1.00 0.00 C ATOM 330 O GLY A 24 5.840 5.930 -10.340 1.00 0.00 O ATOM 0 H GLY A 24 5.392 5.849 -7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.985 6.925 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.793 5.312 -7.893 1.00 0.00 H new ATOM 334 N PRO A 25 7.760 4.760 -10.428 1.00 0.00 N ATOM 335 CA PRO A 25 7.505 4.177 -11.745 1.00 0.00 C ATOM 336 C PRO A 25 6.354 3.182 -11.712 1.00 0.00 C ATOM 337 O PRO A 25 6.449 2.126 -11.082 1.00 0.00 O ATOM 338 CB PRO A 25 8.816 3.460 -12.098 1.00 0.00 C ATOM 339 CG PRO A 25 9.822 3.959 -11.116 1.00 0.00 C ATOM 340 CD PRO A 25 9.050 4.323 -9.883 1.00 0.00 C ATOM 0 HA PRO A 25 7.219 4.936 -12.473 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.703 2.378 -12.028 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.122 3.683 -13.120 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.567 3.194 -10.898 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.357 4.823 -11.510 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.938 3.473 -9.210 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.540 5.116 -9.317 1.00 0.00 H new ATOM 348 N ALA A 26 5.266 3.531 -12.382 1.00 0.00 N ATOM 349 CA ALA A 26 4.095 2.672 -12.434 1.00 0.00 C ATOM 350 C ALA A 26 4.155 1.755 -13.647 1.00 0.00 C ATOM 351 O ALA A 26 3.547 0.683 -13.663 1.00 0.00 O ATOM 352 CB ALA A 26 2.823 3.507 -12.460 1.00 0.00 C ATOM 0 H ALA A 26 5.171 4.406 -12.898 1.00 0.00 H new ATOM 0 HA ALA A 26 4.084 2.053 -11.537 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.956 2.848 -12.499 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.772 4.121 -11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.829 4.151 -13.339 1.00 0.00 H new ATOM 358 N GLY A 27 4.896 2.179 -14.656 1.00 0.00 N ATOM 359 CA GLY A 27 5.010 1.398 -15.868 1.00 0.00 C ATOM 360 C GLY A 27 4.398 2.105 -17.058 1.00 0.00 C ATOM 361 O GLY A 27 3.207 2.426 -17.053 1.00 0.00 O ATOM 0 H GLY A 27 5.422 3.053 -14.658 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.061 1.193 -16.070 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.519 0.435 -15.726 1.00 0.00 H new ATOM 365 N SER A 28 5.209 2.375 -18.069 1.00 0.00 N ATOM 366 CA SER A 28 4.726 3.023 -19.278 1.00 0.00 C ATOM 367 C SER A 28 4.909 2.112 -20.492 1.00 0.00 C ATOM 368 O SER A 28 5.953 2.138 -21.147 1.00 0.00 O ATOM 369 CB SER A 28 5.459 4.346 -19.501 1.00 0.00 C ATOM 370 OG SER A 28 6.274 4.681 -18.384 1.00 0.00 O ATOM 0 H SER A 28 6.205 2.155 -18.076 1.00 0.00 H new ATOM 0 HA SER A 28 3.662 3.224 -19.154 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.077 4.275 -20.396 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.734 5.141 -19.676 1.00 0.00 H new ATOM 0 HG SER A 28 6.732 5.530 -18.556 1.00 0.00 H new ATOM 376 N PRO A 29 3.903 1.279 -20.797 1.00 0.00 N ATOM 377 CA PRO A 29 3.932 0.417 -21.978 1.00 0.00 C ATOM 378 C PRO A 29 3.782 1.223 -23.267 1.00 0.00 C ATOM 379 O PRO A 29 3.018 2.189 -23.321 1.00 0.00 O ATOM 380 CB PRO A 29 2.734 -0.513 -21.775 1.00 0.00 C ATOM 381 CG PRO A 29 1.801 0.252 -20.900 1.00 0.00 C ATOM 382 CD PRO A 29 2.663 1.112 -20.017 1.00 0.00 C ATOM 0 HA PRO A 29 4.877 -0.117 -22.079 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.265 -0.767 -22.726 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.036 -1.450 -21.307 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.122 0.863 -21.495 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.185 -0.422 -20.305 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.190 2.071 -19.807 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.855 0.634 -19.056 1.00 0.00 H new ATOM 390 N GLY A 30 4.508 0.821 -24.295 1.00 0.00 N ATOM 391 CA GLY A 30 4.495 1.544 -25.548 1.00 0.00 C ATOM 392 C GLY A 30 5.826 1.442 -26.258 1.00 0.00 C ATOM 393 O GLY A 30 6.705 0.701 -25.823 1.00 0.00 O ATOM 0 H GLY A 30 5.112 -0.001 -24.284 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.707 1.149 -26.190 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.259 2.592 -25.363 1.00 0.00 H new ATOM 397 N LEU A 31 5.976 2.184 -27.346 1.00 0.00 N ATOM 398 CA LEU A 31 7.210 2.168 -28.118 1.00 0.00 C ATOM 399 C LEU A 31 8.057 3.395 -27.815 1.00 0.00 C ATOM 400 O LEU A 31 7.766 4.497 -28.284 1.00 0.00 O ATOM 401 CB LEU A 31 6.898 2.100 -29.612 1.00 0.00 C ATOM 402 CG LEU A 31 7.945 1.383 -30.458 1.00 0.00 C ATOM 403 CD1 LEU A 31 7.868 -0.120 -30.233 1.00 0.00 C ATOM 404 CD2 LEU A 31 7.755 1.721 -31.929 1.00 0.00 C ATOM 0 H LEU A 31 5.257 2.806 -27.715 1.00 0.00 H new ATOM 0 HA LEU A 31 7.778 1.282 -27.833 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.940 1.598 -29.745 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.781 3.116 -29.990 1.00 0.00 H new ATOM 0 HG LEU A 31 8.935 1.722 -30.154 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.621 -0.618 -30.843 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.050 -0.340 -29.181 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.878 -0.480 -30.513 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.509 1.203 -32.522 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.762 1.406 -32.249 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.858 2.797 -32.071 1.00 0.00 H new ATOM 416 N LEU A 32 9.097 3.198 -27.021 1.00 0.00 N ATOM 417 CA LEU A 32 10.022 4.263 -26.673 1.00 0.00 C ATOM 418 C LEU A 32 11.436 3.700 -26.599 1.00 0.00 C ATOM 419 O LEU A 32 11.730 2.663 -27.195 1.00 0.00 O ATOM 420 CB LEU A 32 9.643 4.885 -25.324 1.00 0.00 C ATOM 421 CG LEU A 32 8.335 5.673 -25.310 1.00 0.00 C ATOM 422 CD1 LEU A 32 7.483 5.266 -24.120 1.00 0.00 C ATOM 423 CD2 LEU A 32 8.615 7.168 -25.284 1.00 0.00 C ATOM 0 H LEU A 32 9.323 2.297 -26.600 1.00 0.00 H new ATOM 0 HA LEU A 32 9.973 5.037 -27.439 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.576 4.089 -24.582 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.450 5.547 -25.009 1.00 0.00 H new ATOM 0 HG LEU A 32 7.783 5.444 -26.221 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.555 5.837 -24.125 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.255 4.202 -24.183 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.027 5.467 -23.197 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.672 7.715 -25.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.187 7.416 -24.390 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.187 7.447 -26.169 1.00 0.00 H new ATOM 435 N ASN A 33 12.307 4.387 -25.878 1.00 0.00 N ATOM 436 CA ASN A 33 13.643 3.877 -25.609 1.00 0.00 C ATOM 437 C ASN A 33 13.718 3.432 -24.159 1.00 0.00 C ATOM 438 O ASN A 33 13.889 4.252 -23.258 1.00 0.00 O ATOM 439 CB ASN A 33 14.710 4.940 -25.894 1.00 0.00 C ATOM 440 CG ASN A 33 16.040 4.326 -26.289 1.00 0.00 C ATOM 441 OD1 ASN A 33 16.140 3.638 -27.303 1.00 0.00 O ATOM 442 ND2 ASN A 33 17.069 4.568 -25.492 1.00 0.00 N ATOM 0 H ASN A 33 12.113 5.301 -25.468 1.00 0.00 H new ATOM 0 HA ASN A 33 13.838 3.030 -26.267 1.00 0.00 H new ATOM 0 HB2 ASN A 33 14.363 5.596 -26.693 1.00 0.00 H new ATOM 0 HB3 ASN A 33 14.847 5.561 -25.009 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.986 4.178 -25.710 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.945 5.144 -24.660 1.00 0.00 H new ATOM 449 N LEU A 34 13.557 2.140 -23.935 1.00 0.00 N ATOM 450 CA LEU A 34 13.497 1.609 -22.584 1.00 0.00 C ATOM 451 C LEU A 34 14.465 0.444 -22.407 1.00 0.00 C ATOM 452 O LEU A 34 14.310 -0.611 -23.025 1.00 0.00 O ATOM 453 CB LEU A 34 12.070 1.164 -22.259 1.00 0.00 C ATOM 454 CG LEU A 34 11.564 1.579 -20.876 1.00 0.00 C ATOM 455 CD1 LEU A 34 10.785 2.881 -20.961 1.00 0.00 C ATOM 456 CD2 LEU A 34 10.700 0.482 -20.273 1.00 0.00 C ATOM 0 H LEU A 34 13.465 1.439 -24.670 1.00 0.00 H new ATOM 0 HA LEU A 34 13.792 2.400 -21.894 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.397 1.572 -23.013 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.017 0.078 -22.338 1.00 0.00 H new ATOM 0 HG LEU A 34 12.426 1.735 -20.228 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.433 3.160 -19.968 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.432 3.667 -21.351 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.931 2.751 -21.625 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.349 0.795 -19.290 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.844 0.295 -20.921 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.287 -0.431 -20.175 1.00 0.00 H new ATOM 468 N ILE A 35 15.467 0.652 -21.571 1.00 0.00 N ATOM 469 CA ILE A 35 16.434 -0.387 -21.257 1.00 0.00 C ATOM 470 C ILE A 35 16.212 -0.891 -19.837 1.00 0.00 C ATOM 471 O ILE A 35 15.773 -0.134 -18.968 1.00 0.00 O ATOM 472 CB ILE A 35 17.885 0.120 -21.405 1.00 0.00 C ATOM 473 CG1 ILE A 35 17.985 1.590 -20.996 1.00 0.00 C ATOM 474 CG2 ILE A 35 18.373 -0.072 -22.836 1.00 0.00 C ATOM 475 CD1 ILE A 35 18.837 1.816 -19.768 1.00 0.00 C ATOM 0 H ILE A 35 15.633 1.538 -21.094 1.00 0.00 H new ATOM 0 HA ILE A 35 16.287 -1.201 -21.966 1.00 0.00 H new ATOM 0 HB ILE A 35 18.523 -0.464 -20.742 1.00 0.00 H new ATOM 0 HG12 ILE A 35 18.398 2.163 -21.826 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.983 1.976 -20.810 1.00 0.00 H new ATOM 0 HG21 ILE A 35 19.397 0.291 -22.923 1.00 0.00 H new ATOM 0 HG22 ILE A 35 18.340 -1.131 -23.093 1.00 0.00 H new ATOM 0 HG23 ILE A 35 17.731 0.487 -23.517 1.00 0.00 H new ATOM 0 HD11 ILE A 35 18.864 2.880 -19.535 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.412 1.271 -18.925 1.00 0.00 H new ATOM 0 HD13 ILE A 35 19.850 1.460 -19.957 1.00 0.00 H new ATOM 487 N PRO A 36 16.485 -2.179 -19.586 1.00 0.00 N ATOM 488 CA PRO A 36 16.307 -2.778 -18.261 1.00 0.00 C ATOM 489 C PRO A 36 17.200 -2.128 -17.209 1.00 0.00 C ATOM 490 O PRO A 36 18.421 -2.067 -17.363 1.00 0.00 O ATOM 491 CB PRO A 36 16.710 -4.244 -18.464 1.00 0.00 C ATOM 492 CG PRO A 36 16.626 -4.471 -19.935 1.00 0.00 C ATOM 493 CD PRO A 36 16.970 -3.157 -20.572 1.00 0.00 C ATOM 0 HA PRO A 36 15.288 -2.651 -17.896 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.718 -4.430 -18.093 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.042 -4.915 -17.923 1.00 0.00 H new ATOM 0 HG2 PRO A 36 17.318 -5.252 -20.250 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.626 -4.796 -20.224 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.042 -3.060 -20.745 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.479 -3.035 -21.538 1.00 0.00 H new ATOM 501 N VAL A 37 16.582 -1.642 -16.140 1.00 0.00 N ATOM 502 CA VAL A 37 17.319 -1.029 -15.041 1.00 0.00 C ATOM 503 C VAL A 37 16.975 -1.725 -13.728 1.00 0.00 C ATOM 504 O VAL A 37 17.854 -2.051 -12.925 1.00 0.00 O ATOM 505 CB VAL A 37 17.038 0.493 -14.943 1.00 0.00 C ATOM 506 CG1 VAL A 37 15.546 0.787 -15.021 1.00 0.00 C ATOM 507 CG2 VAL A 37 17.638 1.079 -13.672 1.00 0.00 C ATOM 0 H VAL A 37 15.570 -1.660 -16.010 1.00 0.00 H new ATOM 0 HA VAL A 37 18.384 -1.151 -15.240 1.00 0.00 H new ATOM 0 HB VAL A 37 17.518 0.971 -15.797 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.383 1.862 -14.949 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.152 0.423 -15.970 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.033 0.287 -14.200 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.426 2.147 -13.629 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.201 0.587 -12.803 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.717 0.923 -13.673 1.00 0.00 H new ATOM 517 N ASP A 38 15.692 -1.966 -13.529 1.00 0.00 N ATOM 518 CA ASP A 38 15.207 -2.709 -12.374 1.00 0.00 C ATOM 519 C ASP A 38 14.255 -3.795 -12.849 1.00 0.00 C ATOM 520 O ASP A 38 13.302 -3.514 -13.573 1.00 0.00 O ATOM 521 CB ASP A 38 14.504 -1.777 -11.381 1.00 0.00 C ATOM 522 CG ASP A 38 14.952 -2.014 -9.950 1.00 0.00 C ATOM 523 OD1 ASP A 38 15.068 -3.190 -9.543 1.00 0.00 O ATOM 524 OD2 ASP A 38 15.197 -1.025 -9.224 1.00 0.00 O ATOM 0 H ASP A 38 14.955 -1.654 -14.161 1.00 0.00 H new ATOM 0 HA ASP A 38 16.053 -3.164 -11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.704 -0.741 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.426 -1.923 -11.450 1.00 0.00 H new ATOM 529 N LEU A 39 14.527 -5.031 -12.470 1.00 0.00 N ATOM 530 CA LEU A 39 13.765 -6.162 -12.976 1.00 0.00 C ATOM 531 C LEU A 39 13.014 -6.871 -11.862 1.00 0.00 C ATOM 532 O LEU A 39 13.331 -6.697 -10.680 1.00 0.00 O ATOM 533 CB LEU A 39 14.693 -7.152 -13.685 1.00 0.00 C ATOM 534 CG LEU A 39 15.430 -6.599 -14.907 1.00 0.00 C ATOM 535 CD1 LEU A 39 16.588 -7.506 -15.284 1.00 0.00 C ATOM 536 CD2 LEU A 39 14.477 -6.436 -16.078 1.00 0.00 C ATOM 0 H LEU A 39 15.268 -5.278 -11.815 1.00 0.00 H new ATOM 0 HA LEU A 39 13.034 -5.776 -13.687 1.00 0.00 H new ATOM 0 HB2 LEU A 39 15.431 -7.510 -12.967 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.106 -8.016 -13.996 1.00 0.00 H new ATOM 0 HG LEU A 39 15.830 -5.617 -14.652 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.101 -7.098 -16.155 1.00 0.00 H new ATOM 0 HD12 LEU A 39 17.286 -7.571 -14.449 1.00 0.00 H new ATOM 0 HD13 LEU A 39 16.209 -8.501 -15.519 1.00 0.00 H new ATOM 0 HD21 LEU A 39 15.020 -6.042 -16.937 1.00 0.00 H new ATOM 0 HD22 LEU A 39 14.046 -7.404 -16.334 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.680 -5.745 -15.805 1.00 0.00 H new ATOM 548 N SER A 40 12.019 -7.664 -12.252 1.00 0.00 N ATOM 549 CA SER A 40 11.240 -8.473 -11.319 1.00 0.00 C ATOM 550 C SER A 40 10.556 -7.604 -10.261 1.00 0.00 C ATOM 551 O SER A 40 10.734 -7.808 -9.057 1.00 0.00 O ATOM 552 CB SER A 40 12.131 -9.530 -10.659 1.00 0.00 C ATOM 553 OG SER A 40 13.179 -9.932 -11.531 1.00 0.00 O ATOM 0 H SER A 40 11.730 -7.764 -13.225 1.00 0.00 H new ATOM 0 HA SER A 40 10.457 -8.979 -11.885 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.554 -9.130 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.530 -10.397 -10.384 1.00 0.00 H new ATOM 0 HG SER A 40 13.735 -10.606 -11.086 1.00 0.00 H new ATOM 559 N ALA A 41 9.771 -6.638 -10.720 1.00 0.00 N ATOM 560 CA ALA A 41 9.046 -5.753 -9.823 1.00 0.00 C ATOM 561 C ALA A 41 7.906 -6.509 -9.153 1.00 0.00 C ATOM 562 O ALA A 41 6.901 -6.834 -9.787 1.00 0.00 O ATOM 563 CB ALA A 41 8.518 -4.543 -10.580 1.00 0.00 C ATOM 0 H ALA A 41 9.621 -6.449 -11.711 1.00 0.00 H new ATOM 0 HA ALA A 41 9.729 -5.398 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.978 -3.891 -9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.352 -3.996 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.845 -4.874 -11.371 1.00 0.00 H new ATOM 569 N SER A 42 8.078 -6.802 -7.875 1.00 0.00 N ATOM 570 CA SER A 42 7.108 -7.587 -7.136 1.00 0.00 C ATOM 571 C SER A 42 6.378 -6.727 -6.104 1.00 0.00 C ATOM 572 O SER A 42 6.508 -5.502 -6.100 1.00 0.00 O ATOM 573 CB SER A 42 7.812 -8.764 -6.458 1.00 0.00 C ATOM 574 OG SER A 42 8.820 -9.304 -7.301 1.00 0.00 O ATOM 0 H SER A 42 8.885 -6.505 -7.327 1.00 0.00 H new ATOM 0 HA SER A 42 6.362 -7.970 -7.833 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.256 -8.435 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.084 -9.537 -6.214 1.00 0.00 H new ATOM 0 HG SER A 42 9.258 -10.054 -6.848 1.00 0.00 H new ATOM 580 N LEU A 43 5.614 -7.374 -5.231 1.00 0.00 N ATOM 581 CA LEU A 43 4.829 -6.663 -4.235 1.00 0.00 C ATOM 582 C LEU A 43 5.677 -6.339 -3.013 1.00 0.00 C ATOM 583 O LEU A 43 6.413 -7.189 -2.509 1.00 0.00 O ATOM 584 CB LEU A 43 3.609 -7.493 -3.822 1.00 0.00 C ATOM 585 CG LEU A 43 2.280 -7.061 -4.447 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.029 -5.580 -4.216 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.264 -7.381 -5.934 1.00 0.00 C ATOM 0 H LEU A 43 5.523 -8.389 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 43 4.485 -5.728 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.793 -8.535 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.512 -7.450 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 43 1.478 -7.619 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.079 -5.297 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.994 -5.380 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.834 -5.000 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.312 -7.068 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.078 -6.851 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.391 -8.454 -6.077 1.00 0.00 H new ATOM 599 N GLY A 44 5.573 -5.106 -2.546 1.00 0.00 N ATOM 600 CA GLY A 44 6.296 -4.691 -1.362 1.00 0.00 C ATOM 601 C GLY A 44 5.380 -4.026 -0.358 1.00 0.00 C ATOM 602 O GLY A 44 5.167 -2.814 -0.409 1.00 0.00 O ATOM 0 H GLY A 44 4.996 -4.379 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.773 -5.557 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.092 -4.001 -1.643 1.00 0.00 H new ATOM 606 N CYS A 45 4.827 -4.822 0.546 1.00 0.00 N ATOM 607 CA CYS A 45 3.877 -4.326 1.529 1.00 0.00 C ATOM 608 C CYS A 45 4.143 -4.938 2.895 1.00 0.00 C ATOM 609 O CYS A 45 5.049 -5.754 3.055 1.00 0.00 O ATOM 610 CB CYS A 45 2.443 -4.648 1.105 1.00 0.00 C ATOM 611 SG CYS A 45 2.120 -4.510 -0.682 1.00 0.00 S ATOM 0 H CYS A 45 5.022 -5.821 0.618 1.00 0.00 H new ATOM 0 HA CYS A 45 4.001 -3.245 1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.205 -5.662 1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.765 -3.979 1.634 1.00 0.00 H new ATOM 616 N VAL A 46 3.343 -4.547 3.873 1.00 0.00 N ATOM 617 CA VAL A 46 3.421 -5.121 5.204 1.00 0.00 C ATOM 618 C VAL A 46 2.097 -5.784 5.547 1.00 0.00 C ATOM 619 O VAL A 46 1.055 -5.402 5.004 1.00 0.00 O ATOM 620 CB VAL A 46 3.758 -4.062 6.275 1.00 0.00 C ATOM 621 CG1 VAL A 46 5.259 -3.835 6.348 1.00 0.00 C ATOM 622 CG2 VAL A 46 3.030 -2.754 5.995 1.00 0.00 C ATOM 0 H VAL A 46 2.627 -3.828 3.767 1.00 0.00 H new ATOM 0 HA VAL A 46 4.226 -5.856 5.201 1.00 0.00 H new ATOM 0 HB VAL A 46 3.419 -4.437 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.477 -3.085 7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.756 -4.770 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.622 -3.487 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.284 -2.024 6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.330 -2.372 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.954 -2.928 6.001 1.00 0.00 H new ATOM 632 N VAL A 47 2.138 -6.775 6.430 1.00 0.00 N ATOM 633 CA VAL A 47 0.942 -7.520 6.794 1.00 0.00 C ATOM 634 C VAL A 47 -0.090 -6.600 7.429 1.00 0.00 C ATOM 635 O VAL A 47 0.211 -5.856 8.365 1.00 0.00 O ATOM 636 CB VAL A 47 1.261 -8.686 7.758 1.00 0.00 C ATOM 637 CG1 VAL A 47 -0.016 -9.387 8.198 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.213 -9.678 7.103 1.00 0.00 C ATOM 0 H VAL A 47 2.987 -7.080 6.906 1.00 0.00 H new ATOM 0 HA VAL A 47 0.535 -7.941 5.875 1.00 0.00 H new ATOM 0 HB VAL A 47 1.747 -8.272 8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.232 -10.204 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.664 -8.675 8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.532 -9.785 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.425 -10.491 7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.754 -10.082 6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.142 -9.172 6.842 1.00 0.00 H new ATOM 648 N GLY A 48 -1.302 -6.645 6.900 1.00 0.00 N ATOM 649 CA GLY A 48 -2.370 -5.830 7.422 1.00 0.00 C ATOM 650 C GLY A 48 -2.985 -6.438 8.658 1.00 0.00 C ATOM 651 O GLY A 48 -4.061 -7.028 8.597 1.00 0.00 O ATOM 0 H GLY A 48 -1.563 -7.238 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.988 -4.837 7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.138 -5.704 6.658 1.00 0.00 H new ATOM 655 N VAL A 49 -2.287 -6.314 9.777 1.00 0.00 N ATOM 656 CA VAL A 49 -2.789 -6.818 11.042 1.00 0.00 C ATOM 657 C VAL A 49 -3.944 -5.953 11.532 1.00 0.00 C ATOM 658 O VAL A 49 -3.972 -4.740 11.292 1.00 0.00 O ATOM 659 CB VAL A 49 -1.687 -6.877 12.124 1.00 0.00 C ATOM 660 CG1 VAL A 49 -0.889 -8.165 11.999 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.766 -5.668 12.040 1.00 0.00 C ATOM 0 H VAL A 49 -1.371 -5.868 9.833 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.138 -7.836 10.868 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.173 -6.860 13.100 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.117 -8.191 12.768 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.555 -9.019 12.124 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.422 -8.210 11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.002 -5.738 12.814 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.289 -5.641 11.060 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.347 -4.757 12.186 1.00 0.00 H new ATOM 671 N ILE A 50 -4.896 -6.584 12.204 1.00 0.00 N ATOM 672 CA ILE A 50 -6.077 -5.892 12.698 1.00 0.00 C ATOM 673 C ILE A 50 -5.688 -4.811 13.696 1.00 0.00 C ATOM 674 O ILE A 50 -5.007 -5.088 14.688 1.00 0.00 O ATOM 675 CB ILE A 50 -7.065 -6.870 13.367 1.00 0.00 C ATOM 676 CG1 ILE A 50 -7.326 -8.070 12.455 1.00 0.00 C ATOM 677 CG2 ILE A 50 -8.370 -6.165 13.706 1.00 0.00 C ATOM 678 CD1 ILE A 50 -7.003 -9.399 13.097 1.00 0.00 C ATOM 0 H ILE A 50 -4.873 -7.580 12.421 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.566 -5.434 11.838 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.619 -7.229 14.294 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.374 -8.066 12.154 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.733 -7.961 11.547 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.054 -6.871 14.177 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.171 -5.341 14.391 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.822 -5.777 12.793 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.212 -10.204 12.392 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.949 -9.423 13.373 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.615 -9.530 13.990 1.00 0.00 H new ATOM 690 N GLY A 51 -6.107 -3.586 13.421 1.00 0.00 N ATOM 691 CA GLY A 51 -5.798 -2.481 14.304 1.00 0.00 C ATOM 692 C GLY A 51 -4.901 -1.451 13.651 1.00 0.00 C ATOM 693 O GLY A 51 -4.716 -0.358 14.182 1.00 0.00 O ATOM 0 H GLY A 51 -6.657 -3.336 12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.725 -2.003 14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.313 -2.863 15.203 1.00 0.00 H new ATOM 697 N SER A 52 -4.341 -1.795 12.500 1.00 0.00 N ATOM 698 CA SER A 52 -3.463 -0.881 11.781 1.00 0.00 C ATOM 699 C SER A 52 -4.263 -0.006 10.822 1.00 0.00 C ATOM 700 O SER A 52 -5.171 -0.482 10.140 1.00 0.00 O ATOM 701 CB SER A 52 -2.399 -1.667 11.013 1.00 0.00 C ATOM 702 OG SER A 52 -2.065 -2.862 11.693 1.00 0.00 O ATOM 0 H SER A 52 -4.478 -2.697 12.045 1.00 0.00 H new ATOM 0 HA SER A 52 -2.971 -0.234 12.508 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.766 -1.903 10.014 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.507 -1.053 10.888 1.00 0.00 H new ATOM 0 HG SER A 52 -2.756 -3.537 11.528 1.00 0.00 H new ATOM 708 N GLN A 53 -3.929 1.273 10.778 1.00 0.00 N ATOM 709 CA GLN A 53 -4.595 2.204 9.890 1.00 0.00 C ATOM 710 C GLN A 53 -3.791 2.386 8.611 1.00 0.00 C ATOM 711 O GLN A 53 -2.677 2.906 8.630 1.00 0.00 O ATOM 712 CB GLN A 53 -4.788 3.547 10.588 1.00 0.00 C ATOM 713 CG GLN A 53 -6.240 3.954 10.711 1.00 0.00 C ATOM 714 CD GLN A 53 -6.524 4.748 11.972 1.00 0.00 C ATOM 715 OE1 GLN A 53 -5.744 5.615 12.363 1.00 0.00 O ATOM 716 NE2 GLN A 53 -7.641 4.457 12.615 1.00 0.00 N ATOM 0 H GLN A 53 -3.196 1.690 11.352 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.573 1.799 9.629 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.346 3.498 11.583 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.248 4.316 10.036 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.521 4.549 9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.865 3.061 10.701 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.261 3.731 12.257 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.883 4.959 13.469 1.00 0.00 H new ATOM 725 N CYS A 54 -4.371 1.970 7.502 1.00 0.00 N ATOM 726 CA CYS A 54 -3.704 2.039 6.216 1.00 0.00 C ATOM 727 C CYS A 54 -4.322 3.144 5.371 1.00 0.00 C ATOM 728 O CYS A 54 -5.455 3.023 4.901 1.00 0.00 O ATOM 729 CB CYS A 54 -3.815 0.690 5.492 1.00 0.00 C ATOM 730 SG CYS A 54 -2.754 0.531 4.015 1.00 0.00 S ATOM 0 H CYS A 54 -5.312 1.577 7.466 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.649 2.264 6.373 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.561 -0.106 6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.853 0.536 5.196 1.00 0.00 H new ATOM 735 N GLY A 55 -3.583 4.232 5.197 1.00 0.00 N ATOM 736 CA GLY A 55 -4.071 5.347 4.409 1.00 0.00 C ATOM 737 C GLY A 55 -3.618 5.263 2.968 1.00 0.00 C ATOM 738 O GLY A 55 -3.329 6.280 2.339 1.00 0.00 O ATOM 0 H GLY A 55 -2.651 4.362 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.160 5.368 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.719 6.281 4.846 1.00 0.00 H new ATOM 742 N ALA A 56 -3.554 4.046 2.450 1.00 0.00 N ATOM 743 CA ALA A 56 -3.096 3.817 1.092 1.00 0.00 C ATOM 744 C ALA A 56 -3.936 2.741 0.410 1.00 0.00 C ATOM 745 O ALA A 56 -5.109 2.961 0.120 1.00 0.00 O ATOM 746 CB ALA A 56 -1.619 3.452 1.092 1.00 0.00 C ATOM 0 H ALA A 56 -3.815 3.199 2.954 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.218 4.737 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.286 3.282 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.043 4.267 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.468 2.545 1.677 1.00 0.00 H new ATOM 752 N SER A 57 -3.347 1.575 0.161 1.00 0.00 N ATOM 753 CA SER A 57 -4.060 0.493 -0.507 1.00 0.00 C ATOM 754 C SER A 57 -4.008 -0.797 0.305 1.00 0.00 C ATOM 755 O SER A 57 -2.931 -1.265 0.674 1.00 0.00 O ATOM 756 CB SER A 57 -3.467 0.253 -1.896 1.00 0.00 C ATOM 757 OG SER A 57 -3.009 1.468 -2.469 1.00 0.00 O ATOM 0 H SER A 57 -2.382 1.357 0.411 1.00 0.00 H new ATOM 0 HA SER A 57 -5.104 0.792 -0.601 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.641 -0.454 -1.826 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.219 -0.198 -2.544 1.00 0.00 H new ATOM 0 HG SER A 57 -2.632 1.290 -3.356 1.00 0.00 H new ATOM 763 N VAL A 58 -5.174 -1.366 0.584 1.00 0.00 N ATOM 764 CA VAL A 58 -5.251 -2.648 1.268 1.00 0.00 C ATOM 765 C VAL A 58 -5.679 -3.738 0.289 1.00 0.00 C ATOM 766 O VAL A 58 -6.684 -3.600 -0.404 1.00 0.00 O ATOM 767 CB VAL A 58 -6.238 -2.622 2.455 1.00 0.00 C ATOM 768 CG1 VAL A 58 -6.040 -3.841 3.346 1.00 0.00 C ATOM 769 CG2 VAL A 58 -6.086 -1.341 3.264 1.00 0.00 C ATOM 0 H VAL A 58 -6.079 -0.959 0.347 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.256 -2.859 1.661 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.250 -2.650 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.745 -3.803 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.211 -4.748 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.022 -3.846 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.793 -1.349 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.070 -1.275 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.286 -0.481 2.625 1.00 0.00 H new ATOM 779 N LYS A 59 -4.904 -4.809 0.234 1.00 0.00 N ATOM 780 CA LYS A 59 -5.183 -5.915 -0.671 1.00 0.00 C ATOM 781 C LYS A 59 -4.773 -7.235 -0.034 1.00 0.00 C ATOM 782 O LYS A 59 -4.129 -7.245 1.011 1.00 0.00 O ATOM 783 CB LYS A 59 -4.464 -5.711 -2.003 1.00 0.00 C ATOM 784 CG LYS A 59 -3.031 -5.227 -1.867 1.00 0.00 C ATOM 785 CD LYS A 59 -2.044 -6.349 -2.130 1.00 0.00 C ATOM 786 CE LYS A 59 -1.629 -6.407 -3.593 1.00 0.00 C ATOM 787 NZ LYS A 59 -2.797 -6.462 -4.515 1.00 0.00 N ATOM 0 H LYS A 59 -4.071 -4.937 0.809 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.255 -5.945 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.468 -6.652 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.024 -4.991 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.852 -4.411 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.873 -4.828 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.161 -6.209 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.490 -7.301 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.024 -5.532 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.001 -7.283 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.468 -6.670 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.450 -7.209 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.289 -5.546 -4.507 1.00 0.00 H new ATOM 801 N CYS A 60 -5.147 -8.343 -0.655 1.00 0.00 N ATOM 802 CA CYS A 60 -4.852 -9.655 -0.100 1.00 0.00 C ATOM 803 C CYS A 60 -3.919 -10.429 -1.020 1.00 0.00 C ATOM 804 O CYS A 60 -4.088 -10.422 -2.241 1.00 0.00 O ATOM 805 CB CYS A 60 -6.146 -10.440 0.123 1.00 0.00 C ATOM 806 SG CYS A 60 -7.380 -9.567 1.142 1.00 0.00 S ATOM 0 H CYS A 60 -5.653 -8.360 -1.540 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.354 -9.518 0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.589 -10.672 -0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.904 -11.390 0.599 1.00 0.00 H new ATOM 811 N CYS A 61 -2.931 -11.088 -0.438 1.00 0.00 N ATOM 812 CA CYS A 61 -1.978 -11.861 -1.215 1.00 0.00 C ATOM 813 C CYS A 61 -1.602 -13.152 -0.495 1.00 0.00 C ATOM 814 O CYS A 61 -1.649 -13.237 0.734 1.00 0.00 O ATOM 815 CB CYS A 61 -0.722 -11.031 -1.511 1.00 0.00 C ATOM 816 SG CYS A 61 -0.981 -9.680 -2.710 1.00 0.00 S ATOM 0 H CYS A 61 -2.768 -11.103 0.569 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.453 -12.124 -2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.353 -10.607 -0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.056 -11.693 -1.890 1.00 0.00 H new ATOM 821 N LYS A 62 -1.258 -14.159 -1.279 1.00 0.00 N ATOM 822 CA LYS A 62 -0.782 -15.422 -0.761 1.00 0.00 C ATOM 823 C LYS A 62 0.652 -15.632 -1.206 1.00 0.00 C ATOM 824 O LYS A 62 0.948 -15.691 -2.412 1.00 0.00 O ATOM 825 CB LYS A 62 -1.666 -16.575 -1.231 1.00 0.00 C ATOM 826 CG LYS A 62 -2.522 -17.169 -0.129 1.00 0.00 C ATOM 827 CD LYS A 62 -1.752 -18.197 0.679 1.00 0.00 C ATOM 828 CE LYS A 62 -2.552 -18.676 1.877 1.00 0.00 C ATOM 829 NZ LYS A 62 -2.688 -20.156 1.897 1.00 0.00 N ATOM 0 H LYS A 62 -1.303 -14.119 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.825 -15.399 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.314 -16.222 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.035 -17.358 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.872 -16.374 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.406 -17.635 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.501 -19.047 0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.811 -17.764 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.066 -18.344 2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.542 -18.221 1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.843 -20.477 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.497 -20.438 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.820 -20.589 1.524 1.00 0.00 H new ATOM 843 N ASP A 63 1.529 -15.727 -0.224 1.00 0.00 N ATOM 844 CA ASP A 63 2.959 -15.796 -0.455 1.00 0.00 C ATOM 845 C ASP A 63 3.658 -16.322 0.787 1.00 0.00 C ATOM 846 O ASP A 63 3.056 -16.391 1.862 1.00 0.00 O ATOM 847 CB ASP A 63 3.495 -14.406 -0.812 1.00 0.00 C ATOM 848 CG ASP A 63 4.135 -13.694 0.368 1.00 0.00 C ATOM 849 OD1 ASP A 63 3.420 -13.392 1.354 1.00 0.00 O ATOM 850 OD2 ASP A 63 5.354 -13.439 0.308 1.00 0.00 O ATOM 0 H ASP A 63 1.267 -15.759 0.761 1.00 0.00 H new ATOM 0 HA ASP A 63 3.155 -16.475 -1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.228 -14.500 -1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.678 -13.796 -1.198 1.00 0.00 H new ATOM 855 N ASP A 64 4.920 -16.694 0.649 1.00 0.00 N ATOM 856 CA ASP A 64 5.692 -17.172 1.784 1.00 0.00 C ATOM 857 C ASP A 64 6.686 -16.118 2.239 1.00 0.00 C ATOM 858 O ASP A 64 7.896 -16.274 2.072 1.00 0.00 O ATOM 859 CB ASP A 64 6.430 -18.463 1.442 1.00 0.00 C ATOM 860 CG ASP A 64 6.525 -19.386 2.632 1.00 0.00 C ATOM 861 OD1 ASP A 64 5.471 -19.783 3.164 1.00 0.00 O ATOM 862 OD2 ASP A 64 7.658 -19.713 3.045 1.00 0.00 O ATOM 0 H ASP A 64 5.430 -16.674 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 64 4.993 -17.376 2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.914 -18.972 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.432 -18.225 1.085 1.00 0.00 H new ATOM 867 N VAL A 65 6.169 -15.046 2.817 1.00 0.00 N ATOM 868 CA VAL A 65 6.996 -13.953 3.306 1.00 0.00 C ATOM 869 C VAL A 65 7.672 -14.324 4.628 1.00 0.00 C ATOM 870 O VAL A 65 8.402 -13.526 5.224 1.00 0.00 O ATOM 871 CB VAL A 65 6.151 -12.669 3.470 1.00 0.00 C ATOM 872 CG1 VAL A 65 5.512 -12.577 4.848 1.00 0.00 C ATOM 873 CG2 VAL A 65 6.987 -11.440 3.175 1.00 0.00 C ATOM 0 H VAL A 65 5.169 -14.908 2.960 1.00 0.00 H new ATOM 0 HA VAL A 65 7.778 -13.764 2.570 1.00 0.00 H new ATOM 0 HB VAL A 65 5.338 -12.718 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.928 -11.659 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.859 -13.435 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.291 -12.570 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.375 -10.546 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.830 -11.399 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.359 -11.490 2.152 1.00 0.00 H new ATOM 883 N THR A 66 7.429 -15.546 5.073 1.00 0.00 N ATOM 884 CA THR A 66 8.000 -16.041 6.311 1.00 0.00 C ATOM 885 C THR A 66 9.442 -16.481 6.124 1.00 0.00 C ATOM 886 O THR A 66 9.757 -17.671 6.146 1.00 0.00 O ATOM 887 CB THR A 66 7.187 -17.213 6.856 1.00 0.00 C ATOM 888 OG1 THR A 66 6.320 -17.732 5.832 1.00 0.00 O ATOM 889 CG2 THR A 66 6.370 -16.756 8.042 1.00 0.00 C ATOM 0 H THR A 66 6.834 -16.218 4.588 1.00 0.00 H new ATOM 0 HA THR A 66 7.973 -15.217 7.024 1.00 0.00 H new ATOM 0 HB THR A 66 7.868 -18.003 7.172 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.804 -18.484 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.791 -17.594 8.429 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.036 -16.384 8.821 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.693 -15.959 7.733 1.00 0.00 H new ATOM 897 N ASN A 67 10.303 -15.506 5.930 1.00 0.00 N ATOM 898 CA ASN A 67 11.724 -15.750 5.744 1.00 0.00 C ATOM 899 C ASN A 67 12.513 -14.472 5.997 1.00 0.00 C ATOM 900 O ASN A 67 11.959 -13.477 6.468 1.00 0.00 O ATOM 901 CB ASN A 67 12.013 -16.303 4.337 1.00 0.00 C ATOM 902 CG ASN A 67 11.792 -15.294 3.218 1.00 0.00 C ATOM 903 OD1 ASN A 67 10.668 -14.862 2.958 1.00 0.00 O ATOM 904 ND2 ASN A 67 12.863 -14.925 2.533 1.00 0.00 N ATOM 0 H ASN A 67 10.042 -14.521 5.896 1.00 0.00 H new ATOM 0 HA ASN A 67 12.040 -16.503 6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.045 -16.651 4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.377 -17.171 4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.772 -14.263 1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.779 -15.303 2.776 1.00 0.00 H new ATOM 911 N THR A 68 13.800 -14.507 5.690 1.00 0.00 N ATOM 912 CA THR A 68 14.665 -13.359 5.881 1.00 0.00 C ATOM 913 C THR A 68 14.488 -12.346 4.751 1.00 0.00 C ATOM 914 O THR A 68 14.893 -12.591 3.614 1.00 0.00 O ATOM 915 CB THR A 68 16.131 -13.811 5.944 1.00 0.00 C ATOM 916 OG1 THR A 68 16.189 -15.246 5.887 1.00 0.00 O ATOM 917 CG2 THR A 68 16.800 -13.317 7.220 1.00 0.00 C ATOM 0 H THR A 68 14.269 -15.326 5.304 1.00 0.00 H new ATOM 0 HA THR A 68 14.391 -12.880 6.821 1.00 0.00 H new ATOM 0 HB THR A 68 16.664 -13.385 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 68 17.124 -15.537 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.837 -13.651 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.769 -12.228 7.249 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.273 -13.718 8.086 1.00 0.00 H new ATOM 925 N GLY A 69 13.860 -11.226 5.070 1.00 0.00 N ATOM 926 CA GLY A 69 13.645 -10.181 4.094 1.00 0.00 C ATOM 927 C GLY A 69 14.403 -8.921 4.446 1.00 0.00 C ATOM 928 O GLY A 69 14.653 -8.646 5.623 1.00 0.00 O ATOM 0 H GLY A 69 13.492 -11.021 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.959 -10.532 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.580 -9.958 4.028 1.00 0.00 H new ATOM 932 N ASN A 70 14.777 -8.158 3.434 1.00 0.00 N ATOM 933 CA ASN A 70 15.540 -6.936 3.645 1.00 0.00 C ATOM 934 C ASN A 70 14.634 -5.791 4.075 1.00 0.00 C ATOM 935 O ASN A 70 13.714 -5.415 3.345 1.00 0.00 O ATOM 936 CB ASN A 70 16.294 -6.548 2.376 1.00 0.00 C ATOM 937 CG ASN A 70 17.755 -6.243 2.648 1.00 0.00 C ATOM 938 OD1 ASN A 70 18.091 -5.220 3.244 1.00 0.00 O ATOM 939 ND2 ASN A 70 18.630 -7.126 2.204 1.00 0.00 N ATOM 0 H ASN A 70 14.566 -8.361 2.457 1.00 0.00 H new ATOM 0 HA ASN A 70 16.258 -7.128 4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 70 16.223 -7.359 1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 70 15.820 -5.676 1.926 1.00 0.00 H new ATOM 0 HD21 ASN A 70 19.628 -6.973 2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 70 18.308 -7.961 1.715 1.00 0.00 H new ATOM 946 N SER A 71 14.901 -5.266 5.271 1.00 0.00 N ATOM 947 CA SER A 71 14.169 -4.128 5.842 1.00 0.00 C ATOM 948 C SER A 71 12.750 -4.515 6.264 1.00 0.00 C ATOM 949 O SER A 71 12.388 -4.393 7.437 1.00 0.00 O ATOM 950 CB SER A 71 14.132 -2.949 4.861 1.00 0.00 C ATOM 951 OG SER A 71 15.399 -2.747 4.257 1.00 0.00 O ATOM 0 H SER A 71 15.639 -5.620 5.880 1.00 0.00 H new ATOM 0 HA SER A 71 14.708 -3.819 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.384 -3.136 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.828 -2.044 5.387 1.00 0.00 H new ATOM 0 HG SER A 71 15.348 -1.991 3.635 1.00 0.00 H new ATOM 957 N PHE A 72 11.956 -4.987 5.320 1.00 0.00 N ATOM 958 CA PHE A 72 10.568 -5.318 5.586 1.00 0.00 C ATOM 959 C PHE A 72 10.178 -6.611 4.871 1.00 0.00 C ATOM 960 O PHE A 72 11.043 -7.378 4.445 1.00 0.00 O ATOM 961 CB PHE A 72 9.656 -4.151 5.171 1.00 0.00 C ATOM 962 CG PHE A 72 9.427 -4.027 3.686 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.490 -3.855 2.811 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.144 -4.085 3.171 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.273 -3.743 1.451 1.00 0.00 C ATOM 966 CE2 PHE A 72 7.921 -3.976 1.813 1.00 0.00 C ATOM 967 CZ PHE A 72 8.987 -3.806 0.951 1.00 0.00 C ATOM 0 H PHE A 72 12.251 -5.150 4.357 1.00 0.00 H new ATOM 0 HA PHE A 72 10.442 -5.481 6.656 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.691 -4.268 5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.090 -3.221 5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.498 -3.808 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.306 -4.217 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.108 -3.606 0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.914 -4.024 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.815 -3.723 -0.112 1.00 0.00 H new ATOM 977 N LEU A 73 8.880 -6.844 4.739 1.00 0.00 N ATOM 978 CA LEU A 73 8.374 -8.069 4.144 1.00 0.00 C ATOM 979 C LEU A 73 8.372 -7.995 2.622 1.00 0.00 C ATOM 980 O LEU A 73 7.577 -7.274 2.022 1.00 0.00 O ATOM 981 CB LEU A 73 6.958 -8.343 4.645 1.00 0.00 C ATOM 982 CG LEU A 73 6.782 -8.253 6.158 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.344 -7.912 6.498 1.00 0.00 C ATOM 984 CD2 LEU A 73 7.199 -9.556 6.821 1.00 0.00 C ATOM 0 H LEU A 73 8.154 -6.194 5.039 1.00 0.00 H new ATOM 0 HA LEU A 73 9.036 -8.882 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.278 -7.635 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.659 -9.339 4.318 1.00 0.00 H new ATOM 0 HG LEU A 73 7.424 -7.459 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.231 -7.851 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.082 -6.953 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.684 -8.687 6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.067 -9.474 7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.583 -10.371 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.247 -9.759 6.598 1.00 0.00 H new ATOM 996 N ILE A 74 9.276 -8.735 2.004 1.00 0.00 N ATOM 997 CA ILE A 74 9.294 -8.860 0.556 1.00 0.00 C ATOM 998 C ILE A 74 8.329 -9.959 0.132 1.00 0.00 C ATOM 999 O ILE A 74 8.531 -11.130 0.463 1.00 0.00 O ATOM 1000 CB ILE A 74 10.706 -9.184 0.027 1.00 0.00 C ATOM 1001 CG1 ILE A 74 11.765 -8.361 0.770 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.780 -8.937 -1.475 1.00 0.00 C ATOM 1003 CD1 ILE A 74 11.745 -6.882 0.440 1.00 0.00 C ATOM 0 H ILE A 74 10.008 -9.259 2.483 1.00 0.00 H new ATOM 0 HA ILE A 74 8.989 -7.903 0.132 1.00 0.00 H new ATOM 0 HB ILE A 74 10.911 -10.239 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.618 -8.485 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 74 12.751 -8.761 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.783 -9.170 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.056 -9.573 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.554 -7.891 -1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 74 12.524 -6.372 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 74 11.923 -6.745 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.773 -6.464 0.702 1.00 0.00 H new ATOM 1015 N ILE A 75 7.300 -9.586 -0.614 1.00 0.00 N ATOM 1016 CA ILE A 75 6.205 -10.499 -0.914 1.00 0.00 C ATOM 1017 C ILE A 75 6.446 -11.252 -2.212 1.00 0.00 C ATOM 1018 O ILE A 75 6.786 -10.660 -3.240 1.00 0.00 O ATOM 1019 CB ILE A 75 4.864 -9.739 -1.021 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.592 -8.959 0.262 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.710 -10.686 -1.317 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.584 -7.846 0.079 1.00 0.00 C ATOM 0 H ILE A 75 7.199 -8.657 -1.023 1.00 0.00 H new ATOM 0 HA ILE A 75 6.157 -11.213 -0.092 1.00 0.00 H new ATOM 0 HB ILE A 75 4.944 -9.039 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.231 -9.646 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.528 -8.537 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.782 -10.118 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.893 -11.198 -2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.628 -11.421 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.435 -7.330 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.953 -7.139 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.636 -8.265 -0.259 1.00 0.00 H new ATOM 1034 N ASN A 76 6.281 -12.562 -2.152 1.00 0.00 N ATOM 1035 CA ASN A 76 6.332 -13.394 -3.342 1.00 0.00 C ATOM 1036 C ASN A 76 5.072 -13.155 -4.160 1.00 0.00 C ATOM 1037 O ASN A 76 3.985 -13.592 -3.783 1.00 0.00 O ATOM 1038 CB ASN A 76 6.450 -14.875 -2.963 1.00 0.00 C ATOM 1039 CG ASN A 76 6.997 -15.728 -4.093 1.00 0.00 C ATOM 1040 OD1 ASN A 76 6.247 -16.271 -4.904 1.00 0.00 O ATOM 1041 ND2 ASN A 76 8.313 -15.859 -4.148 1.00 0.00 N ATOM 0 H ASN A 76 6.110 -13.075 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 76 7.210 -13.130 -3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.099 -14.972 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.469 -15.250 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.739 -16.426 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.901 -15.393 -3.457 1.00 0.00 H new ATOM 1048 N ALA A 77 5.217 -12.453 -5.274 1.00 0.00 N ATOM 1049 CA ALA A 77 4.069 -12.026 -6.064 1.00 0.00 C ATOM 1050 C ALA A 77 3.497 -13.172 -6.891 1.00 0.00 C ATOM 1051 O ALA A 77 3.397 -13.085 -8.113 1.00 0.00 O ATOM 1052 CB ALA A 77 4.453 -10.863 -6.962 1.00 0.00 C ATOM 0 H ALA A 77 6.119 -12.166 -5.653 1.00 0.00 H new ATOM 0 HA ALA A 77 3.292 -11.700 -5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.587 -10.553 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.795 -10.028 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.253 -11.171 -7.635 1.00 0.00 H new ATOM 1058 N ALA A 78 3.129 -14.248 -6.215 1.00 0.00 N ATOM 1059 CA ALA A 78 2.509 -15.385 -6.869 1.00 0.00 C ATOM 1060 C ALA A 78 0.998 -15.237 -6.851 1.00 0.00 C ATOM 1061 O ALA A 78 0.359 -15.159 -7.902 1.00 0.00 O ATOM 1062 CB ALA A 78 2.930 -16.681 -6.193 1.00 0.00 C ATOM 0 H ALA A 78 3.250 -14.356 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 78 2.842 -15.418 -7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.456 -17.524 -6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.013 -16.786 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.623 -16.663 -5.147 1.00 0.00 H new ATOM 1068 N ASN A 79 0.429 -15.175 -5.655 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.011 -15.034 -5.510 1.00 0.00 C ATOM 1070 C ASN A 79 -1.344 -13.667 -4.949 1.00 0.00 C ATOM 1071 O ASN A 79 -1.158 -13.420 -3.765 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.566 -16.118 -4.582 1.00 0.00 C ATOM 1073 CG ASN A 79 -0.987 -17.490 -4.869 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.503 -18.232 -5.702 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.093 -17.833 -4.183 1.00 0.00 N ATOM 0 H ASN A 79 0.942 -15.220 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.469 -15.143 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.353 -15.848 -3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.650 -16.158 -4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.528 -18.743 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.490 -17.187 -3.500 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.814 -12.770 -5.792 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.184 -11.440 -5.330 1.00 0.00 C ATOM 1084 C CYS A 80 -3.513 -11.002 -5.933 1.00 0.00 C ATOM 1085 O CYS A 80 -3.746 -11.154 -7.132 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.074 -10.437 -5.661 1.00 0.00 C ATOM 1087 SG CYS A 80 0.143 -10.211 -4.320 1.00 0.00 S ATOM 0 H CYS A 80 -1.949 -12.931 -6.790 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.308 -11.473 -4.248 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.553 -10.770 -6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.526 -9.473 -5.894 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.397 -10.490 -5.081 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.696 -9.997 -5.516 1.00 0.00 C ATOM 1094 C VAL A 81 -5.991 -8.644 -4.874 1.00 0.00 C ATOM 1095 O VAL A 81 -5.396 -8.290 -3.850 1.00 0.00 O ATOM 1096 CB VAL A 81 -6.843 -10.979 -5.172 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.084 -11.944 -6.323 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.550 -11.741 -3.887 1.00 0.00 C ATOM 0 H VAL A 81 -4.233 -10.406 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.648 -9.898 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.749 -10.393 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.893 -12.626 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.356 -11.383 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.176 -12.515 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.373 -12.422 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.628 -12.311 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.438 -11.036 -3.063 1.00 0.00 H new ATOM 1108 N ALA A 82 -6.902 -7.895 -5.482 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.293 -6.579 -4.990 1.00 0.00 C ATOM 1110 C ALA A 82 -8.539 -6.108 -5.722 1.00 0.00 C ATOM 1111 O ALA A 82 -9.544 -5.787 -5.061 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.170 -5.572 -5.177 1.00 0.00 C ATOM 1113 OXT ALA A 82 -8.513 -6.084 -6.969 1.00 0.00 O ATOM 0 H ALA A 82 -7.391 -8.182 -6.330 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.505 -6.658 -3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.488 -4.599 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.289 -5.903 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.927 -5.491 -6.236 1.00 0.00 H new TER 1119 ALA A 82