USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 396 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 12 LYS NZ :NH3+ -156:sc= 1.14 (180deg=0.543) USER MOD Set 1.2: A 52 SER OG : rot 97:sc= 1.22 USER MOD Set 1.3: A 54 SER OG : rot 43:sc= 0.585 USER MOD Set 1.4: A 57 ASN : amide:sc= 1.52 K(o=4.5,f=-2.7!) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -122:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 171:sc= 1.03 (180deg=0.886) USER MOD Single : A 1 LYS N :NH3+ 148:sc= 0.0164 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 166:sc= -0.0181 (180deg=-0.259) USER MOD Single : A 4 TYR OH : rot -26:sc= -0.0978 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.827 K(o=0.83,f=-5.5!) USER MOD Single : A 19 ASN : amide:sc= -0.597 K(o=-0.6,f=-1.5) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.167 K(o=0.17,f=-0.77) USER MOD Single : A 24 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.4) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -161:sc=-0.00219 (180deg=-0.431) USER MOD Single : A 28 LYS NZ :NH3+ -112:sc= -0.0202 (180deg=-0.861) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.544 K(o=-0.54,f=-1.5) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 20:sc= 0.885 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.347 K(o=-0.35,f=-7.1!) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 0.846 (180deg=0.614) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 0.760 1.228 1.00 10.00 C ATOM 4 O LYS A 1 1.427 1.814 1.572 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.547 -1.325 1.00 10.00 C ATOM 6 CG LYS A 1 3.505 0.366 -1.419 1.00 10.00 C ATOM 7 CD LYS A 1 4.013 0.718 -2.819 1.00 10.00 C ATOM 8 CE LYS A 1 5.535 0.581 -2.900 1.00 10.00 C ATOM 9 NZ LYS A 1 5.941 -0.825 -2.677 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 0.004 -0.980 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.851 0.487 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.847 0.494 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -1.019 0.075 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.506 0.034 -2.157 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.739 1.604 -1.414 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.997 0.998 -0.680 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.767 -0.665 -1.182 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.546 0.063 -3.555 1.00 10.00 H new ATOM 0 HD3 LYS A 1 3.722 1.738 -3.070 1.00 10.00 H new ATOM 0 HE2 LYS A 1 5.885 0.916 -3.876 1.00 10.00 H new ATOM 0 HE3 LYS A 1 6.004 1.224 -2.155 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 6.933 -0.950 -2.965 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 5.841 -1.059 -1.669 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 5.335 -1.455 -3.241 1.00 10.00 H new ATOM 22 N ASP A 2 2.980 0.194 1.855 1.00 10.00 N ATOM 23 CA ASP A 2 3.464 0.718 3.121 1.00 10.00 C ATOM 24 C ASP A 2 4.969 0.468 3.229 1.00 10.00 C ATOM 25 O ASP A 2 5.482 -0.502 2.673 1.00 10.00 O ATOM 26 CB ASP A 2 2.783 0.024 4.302 1.00 10.00 C ATOM 27 CG ASP A 2 1.255 -0.016 4.235 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.588 1.029 4.246 1.00 10.00 O ATOM 29 OD2 ASP A 2 0.743 -1.198 4.167 1.00 10.00 O ATOM 0 H ASP A 2 3.485 -0.622 1.510 1.00 10.00 H new ATOM 0 HA ASP A 2 3.240 1.784 3.152 1.00 10.00 H new ATOM 0 HB2 ASP A 2 3.156 -0.998 4.367 1.00 10.00 H new ATOM 0 HB3 ASP A 2 3.078 0.530 5.221 1.00 10.00 H new ATOM 35 N GLY A 3 5.635 1.359 3.948 1.00 10.00 N ATOM 36 CA GLY A 3 7.062 1.215 4.185 1.00 10.00 C ATOM 37 C GLY A 3 7.727 2.580 4.375 1.00 10.00 C ATOM 38 O GLY A 3 7.053 3.568 4.662 1.00 10.00 O ATOM 0 H GLY A 3 5.213 2.184 4.375 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.227 0.600 5.070 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.523 0.696 3.345 1.00 10.00 H new ATOM 42 N TYR A 4 9.041 2.590 4.207 1.00 10.00 N ATOM 43 CA TYR A 4 9.797 3.827 4.300 1.00 10.00 C ATOM 44 C TYR A 4 10.068 4.411 2.912 1.00 10.00 C ATOM 45 O TYR A 4 10.776 3.807 2.108 1.00 10.00 O ATOM 46 CB TYR A 4 11.131 3.458 4.954 1.00 10.00 C ATOM 47 CG TYR A 4 10.989 2.615 6.223 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.747 3.228 7.435 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.104 1.241 6.155 1.00 10.00 C ATOM 50 CE1 TYR A 4 10.613 2.434 8.629 1.00 10.00 C ATOM 51 CE2 TYR A 4 10.971 0.447 7.349 1.00 10.00 C ATOM 52 CZ TYR A 4 10.732 1.083 8.527 1.00 10.00 C ATOM 53 OH TYR A 4 10.606 0.334 9.655 1.00 10.00 O ATOM 0 H TYR A 4 9.601 1.761 4.007 1.00 10.00 H new ATOM 0 HA TYR A 4 9.243 4.573 4.870 1.00 10.00 H new ATOM 0 HB2 TYR A 4 11.739 2.911 4.233 1.00 10.00 H new ATOM 0 HB3 TYR A 4 11.671 4.373 5.197 1.00 10.00 H new ATOM 0 HD1 TYR A 4 10.658 4.303 7.488 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.294 0.761 5.206 1.00 10.00 H new ATOM 0 HE1 TYR A 4 10.422 2.901 9.584 1.00 10.00 H new ATOM 0 HE2 TYR A 4 11.059 -0.629 7.310 1.00 10.00 H new ATOM 0 HH TYR A 4 10.855 0.873 10.435 1.00 10.00 H new ATOM 63 N PRO A 5 9.475 5.610 2.667 1.00 10.00 N ATOM 64 CA PRO A 5 9.593 6.252 1.369 1.00 10.00 C ATOM 65 C PRO A 5 10.984 6.863 1.185 1.00 10.00 C ATOM 66 O PRO A 5 11.464 7.594 2.050 1.00 10.00 O ATOM 67 CB PRO A 5 8.481 7.287 1.340 1.00 10.00 C ATOM 68 CG PRO A 5 8.077 7.508 2.789 1.00 10.00 C ATOM 69 CD PRO A 5 8.678 6.383 3.616 1.00 10.00 C ATOM 0 HA PRO A 5 9.488 5.551 0.541 1.00 10.00 H new ATOM 0 HB2 PRO A 5 8.824 8.216 0.885 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.636 6.935 0.748 1.00 10.00 H new ATOM 0 HG2 PRO A 5 8.435 8.475 3.142 1.00 10.00 H new ATOM 0 HG3 PRO A 5 6.991 7.515 2.886 1.00 10.00 H new ATOM 0 HD2 PRO A 5 9.295 6.773 4.426 1.00 10.00 H new ATOM 0 HD3 PRO A 5 7.902 5.769 4.073 1.00 10.00 H new ATOM 77 N VAL A 6 11.591 6.541 0.052 1.00 10.00 N ATOM 78 CA VAL A 6 12.936 7.010 -0.235 1.00 10.00 C ATOM 79 C VAL A 6 13.022 7.433 -1.703 1.00 10.00 C ATOM 80 O VAL A 6 12.680 6.659 -2.596 1.00 10.00 O ATOM 81 CB VAL A 6 13.956 5.932 0.137 1.00 10.00 C ATOM 82 CG1 VAL A 6 13.876 5.593 1.627 1.00 10.00 C ATOM 83 CG2 VAL A 6 13.769 4.680 -0.722 1.00 10.00 C ATOM 0 H VAL A 6 11.176 5.961 -0.678 1.00 10.00 H new ATOM 0 HA VAL A 6 13.172 7.885 0.370 1.00 10.00 H new ATOM 0 HB VAL A 6 14.951 6.329 -0.063 1.00 10.00 H new ATOM 0 HG11 VAL A 6 14.611 4.824 1.865 1.00 10.00 H new ATOM 0 HG12 VAL A 6 14.082 6.487 2.215 1.00 10.00 H new ATOM 0 HG13 VAL A 6 12.877 5.226 1.863 1.00 10.00 H new ATOM 0 HG21 VAL A 6 14.507 3.930 -0.437 1.00 10.00 H new ATOM 0 HG22 VAL A 6 12.767 4.280 -0.569 1.00 10.00 H new ATOM 0 HG23 VAL A 6 13.900 4.937 -1.773 1.00 10.00 H new ATOM 93 N ASP A 7 13.480 8.659 -1.907 1.00 10.00 N ATOM 94 CA ASP A 7 13.629 9.188 -3.252 1.00 10.00 C ATOM 95 C ASP A 7 14.416 10.499 -3.195 1.00 10.00 C ATOM 96 O ASP A 7 15.576 10.548 -3.600 1.00 10.00 O ATOM 97 CB ASP A 7 12.266 9.482 -3.882 1.00 10.00 C ATOM 98 CG ASP A 7 11.154 9.821 -2.889 1.00 10.00 C ATOM 99 OD1 ASP A 7 10.451 8.930 -2.388 1.00 10.00 O ATOM 100 OD2 ASP A 7 11.019 11.077 -2.629 1.00 10.00 O ATOM 0 H ASP A 7 13.753 9.302 -1.163 1.00 10.00 H new ATOM 0 HA ASP A 7 14.151 8.442 -3.852 1.00 10.00 H new ATOM 0 HB2 ASP A 7 12.376 10.313 -4.578 1.00 10.00 H new ATOM 0 HB3 ASP A 7 11.958 8.615 -4.467 1.00 10.00 H new ATOM 106 N SER A 8 13.753 11.529 -2.690 1.00 10.00 N ATOM 107 CA SER A 8 14.336 12.860 -2.675 1.00 10.00 C ATOM 108 C SER A 8 15.289 13.000 -1.486 1.00 10.00 C ATOM 109 O SER A 8 16.311 13.678 -1.583 1.00 10.00 O ATOM 110 CB SER A 8 13.250 13.936 -2.614 1.00 10.00 C ATOM 111 OG SER A 8 12.378 13.753 -1.502 1.00 10.00 O ATOM 0 H SER A 8 12.817 11.469 -2.288 1.00 10.00 H new ATOM 0 HA SER A 8 14.896 12.999 -3.600 1.00 10.00 H new ATOM 0 HB2 SER A 8 13.717 14.919 -2.550 1.00 10.00 H new ATOM 0 HB3 SER A 8 12.670 13.918 -3.536 1.00 10.00 H new ATOM 0 HG SER A 8 11.700 14.461 -1.498 1.00 10.00 H new ATOM 117 N LYS A 9 14.921 12.349 -0.393 1.00 10.00 N ATOM 118 CA LYS A 9 15.754 12.354 0.798 1.00 10.00 C ATOM 119 C LYS A 9 16.919 11.382 0.603 1.00 10.00 C ATOM 120 O LYS A 9 17.930 11.473 1.298 1.00 10.00 O ATOM 121 CB LYS A 9 14.912 12.064 2.042 1.00 10.00 C ATOM 122 CG LYS A 9 14.408 10.619 2.039 1.00 10.00 C ATOM 123 CD LYS A 9 12.969 10.539 2.552 1.00 10.00 C ATOM 124 CE LYS A 9 11.971 10.867 1.440 1.00 10.00 C ATOM 125 NZ LYS A 9 10.582 10.756 1.940 1.00 10.00 N ATOM 0 H LYS A 9 14.057 11.814 -0.307 1.00 10.00 H new ATOM 0 HA LYS A 9 16.186 13.342 0.958 1.00 10.00 H new ATOM 0 HB2 LYS A 9 15.507 12.244 2.938 1.00 10.00 H new ATOM 0 HB3 LYS A 9 14.064 12.748 2.079 1.00 10.00 H new ATOM 0 HG2 LYS A 9 14.461 10.214 1.028 1.00 10.00 H new ATOM 0 HG3 LYS A 9 15.055 10.003 2.663 1.00 10.00 H new ATOM 0 HD2 LYS A 9 12.772 9.539 2.939 1.00 10.00 H new ATOM 0 HD3 LYS A 9 12.836 11.234 3.381 1.00 10.00 H new ATOM 0 HE2 LYS A 9 12.150 11.876 1.068 1.00 10.00 H new ATOM 0 HE3 LYS A 9 12.117 10.187 0.600 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 10.061 10.062 1.366 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 10.594 10.445 2.932 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 10.114 11.682 1.873 1.00 10.00 H new ATOM 138 N GLY A 10 16.739 10.474 -0.345 1.00 10.00 N ATOM 139 CA GLY A 10 17.792 9.535 -0.691 1.00 10.00 C ATOM 140 C GLY A 10 17.742 8.299 0.209 1.00 10.00 C ATOM 141 O GLY A 10 17.432 7.202 -0.253 1.00 10.00 O ATOM 0 H GLY A 10 15.880 10.369 -0.884 1.00 10.00 H new ATOM 0 HA2 GLY A 10 17.688 9.234 -1.734 1.00 10.00 H new ATOM 0 HA3 GLY A 10 18.763 10.020 -0.595 1.00 10.00 H new ATOM 145 N CYS A 11 18.053 8.518 1.478 1.00 10.00 N ATOM 146 CA CYS A 11 18.204 7.415 2.412 1.00 10.00 C ATOM 147 C CYS A 11 17.520 7.800 3.725 1.00 10.00 C ATOM 148 O CYS A 11 18.166 8.303 4.643 1.00 10.00 O ATOM 149 CB CYS A 11 19.675 7.049 2.622 1.00 10.00 C ATOM 150 SG CYS A 11 20.418 6.056 1.276 1.00 10.00 S ATOM 0 H CYS A 11 18.205 9.443 1.881 1.00 10.00 H new ATOM 0 HA CYS A 11 17.730 6.523 2.004 1.00 10.00 H new ATOM 0 HB2 CYS A 11 20.251 7.967 2.737 1.00 10.00 H new ATOM 0 HB3 CYS A 11 19.767 6.496 3.556 1.00 10.00 H new ATOM 0 HG CYS A 11 21.663 5.807 1.557 1.00 10.00 H new ATOM 155 N LYS A 12 16.220 7.549 3.773 1.00 10.00 N ATOM 156 CA LYS A 12 15.507 7.532 5.039 1.00 10.00 C ATOM 157 C LYS A 12 15.408 8.958 5.584 1.00 10.00 C ATOM 158 O LYS A 12 16.043 9.872 5.060 1.00 10.00 O ATOM 159 CB LYS A 12 16.163 6.547 6.010 1.00 10.00 C ATOM 160 CG LYS A 12 16.095 5.117 5.470 1.00 10.00 C ATOM 161 CD LYS A 12 14.666 4.573 5.537 1.00 10.00 C ATOM 162 CE LYS A 12 14.662 3.043 5.532 1.00 10.00 C ATOM 163 NZ LYS A 12 15.206 2.527 4.256 1.00 10.00 N ATOM 0 H LYS A 12 15.642 7.356 2.955 1.00 10.00 H new ATOM 0 HA LYS A 12 14.487 7.174 4.897 1.00 10.00 H new ATOM 0 HB2 LYS A 12 17.203 6.829 6.172 1.00 10.00 H new ATOM 0 HB3 LYS A 12 15.664 6.598 6.978 1.00 10.00 H new ATOM 0 HG2 LYS A 12 16.448 5.097 4.439 1.00 10.00 H new ATOM 0 HG3 LYS A 12 16.760 4.474 6.047 1.00 10.00 H new ATOM 0 HD2 LYS A 12 14.176 4.939 6.439 1.00 10.00 H new ATOM 0 HD3 LYS A 12 14.091 4.945 4.689 1.00 10.00 H new ATOM 0 HE2 LYS A 12 15.257 2.669 6.365 1.00 10.00 H new ATOM 0 HE3 LYS A 12 13.646 2.676 5.676 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 14.841 1.568 4.086 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 14.915 3.152 3.477 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 16.244 2.498 4.308 1.00 10.00 H new ATOM 176 N LEU A 13 14.607 9.104 6.629 1.00 10.00 N ATOM 177 CA LEU A 13 14.521 10.371 7.335 1.00 10.00 C ATOM 178 C LEU A 13 14.354 10.105 8.832 1.00 10.00 C ATOM 179 O LEU A 13 13.517 9.297 9.234 1.00 10.00 O ATOM 180 CB LEU A 13 13.415 11.243 6.738 1.00 10.00 C ATOM 181 CG LEU A 13 11.981 10.777 6.995 1.00 10.00 C ATOM 182 CD1 LEU A 13 11.340 11.576 8.132 1.00 10.00 C ATOM 183 CD2 LEU A 13 11.147 10.835 5.713 1.00 10.00 C ATOM 0 H LEU A 13 14.012 8.366 7.004 1.00 10.00 H new ATOM 0 HA LEU A 13 15.443 10.939 7.213 1.00 10.00 H new ATOM 0 HB2 LEU A 13 13.524 12.253 7.132 1.00 10.00 H new ATOM 0 HB3 LEU A 13 13.569 11.303 5.661 1.00 10.00 H new ATOM 0 HG LEU A 13 12.013 9.735 7.312 1.00 10.00 H new ATOM 0 HD11 LEU A 13 10.321 11.225 8.294 1.00 10.00 H new ATOM 0 HD12 LEU A 13 11.920 11.440 9.045 1.00 10.00 H new ATOM 0 HD13 LEU A 13 11.322 12.633 7.868 1.00 10.00 H new ATOM 0 HD21 LEU A 13 10.132 10.498 5.924 1.00 10.00 H new ATOM 0 HD22 LEU A 13 11.120 11.860 5.343 1.00 10.00 H new ATOM 0 HD23 LEU A 13 11.594 10.188 4.958 1.00 10.00 H new ATOM 195 N SER A 14 15.162 10.801 9.618 1.00 10.00 N ATOM 196 CA SER A 14 15.244 10.522 11.042 1.00 10.00 C ATOM 197 C SER A 14 14.075 11.185 11.773 1.00 10.00 C ATOM 198 O SER A 14 14.234 12.251 12.366 1.00 10.00 O ATOM 199 CB SER A 14 16.576 11.005 11.622 1.00 10.00 C ATOM 200 OG SER A 14 17.690 10.379 10.992 1.00 10.00 O ATOM 0 H SER A 14 15.766 11.558 9.296 1.00 10.00 H new ATOM 0 HA SER A 14 15.187 9.443 11.183 1.00 10.00 H new ATOM 0 HB2 SER A 14 16.653 12.086 11.503 1.00 10.00 H new ATOM 0 HB3 SER A 14 16.602 10.799 12.692 1.00 10.00 H new ATOM 0 HG SER A 14 18.521 10.715 11.388 1.00 10.00 H new ATOM 206 N CYS A 15 12.928 10.527 11.707 1.00 10.00 N ATOM 207 CA CYS A 15 11.774 10.954 12.480 1.00 10.00 C ATOM 208 C CYS A 15 12.127 10.855 13.965 1.00 10.00 C ATOM 209 O CYS A 15 12.873 9.965 14.371 1.00 10.00 O ATOM 210 CB CYS A 15 10.527 10.138 12.133 1.00 10.00 C ATOM 211 SG CYS A 15 10.720 8.328 12.315 1.00 10.00 S ATOM 0 H CYS A 15 12.772 9.701 11.130 1.00 10.00 H new ATOM 0 HA CYS A 15 11.531 11.988 12.234 1.00 10.00 H new ATOM 0 HB2 CYS A 15 9.706 10.468 12.769 1.00 10.00 H new ATOM 0 HB3 CYS A 15 10.241 10.357 11.104 1.00 10.00 H new ATOM 216 N VAL A 16 11.573 11.780 14.736 1.00 10.00 N ATOM 217 CA VAL A 16 11.855 11.834 16.160 1.00 10.00 C ATOM 218 C VAL A 16 10.729 11.136 16.925 1.00 10.00 C ATOM 219 O VAL A 16 10.899 10.763 18.085 1.00 10.00 O ATOM 220 CB VAL A 16 12.065 13.285 16.597 1.00 10.00 C ATOM 221 CG1 VAL A 16 12.423 13.363 18.083 1.00 10.00 C ATOM 222 CG2 VAL A 16 13.132 13.967 15.739 1.00 10.00 C ATOM 0 H VAL A 16 10.930 12.498 14.401 1.00 10.00 H new ATOM 0 HA VAL A 16 12.780 11.303 16.387 1.00 10.00 H new ATOM 0 HB VAL A 16 11.126 13.819 16.450 1.00 10.00 H new ATOM 0 HG11 VAL A 16 12.567 14.405 18.368 1.00 10.00 H new ATOM 0 HG12 VAL A 16 11.615 12.933 18.675 1.00 10.00 H new ATOM 0 HG13 VAL A 16 13.342 12.806 18.265 1.00 10.00 H new ATOM 0 HG21 VAL A 16 13.262 14.997 16.071 1.00 10.00 H new ATOM 0 HG22 VAL A 16 14.076 13.432 15.839 1.00 10.00 H new ATOM 0 HG23 VAL A 16 12.819 13.959 14.695 1.00 10.00 H new ATOM 232 N ALA A 17 9.602 10.980 16.245 1.00 10.00 N ATOM 233 CA ALA A 17 8.368 10.609 16.916 1.00 10.00 C ATOM 234 C ALA A 17 7.310 10.254 15.868 1.00 10.00 C ATOM 235 O ALA A 17 7.451 10.602 14.697 1.00 10.00 O ATOM 236 CB ALA A 17 7.922 11.750 17.832 1.00 10.00 C ATOM 0 H ALA A 17 9.518 11.104 15.236 1.00 10.00 H new ATOM 0 HA ALA A 17 8.520 9.730 17.542 1.00 10.00 H new ATOM 0 HB1 ALA A 17 6.996 11.472 18.335 1.00 10.00 H new ATOM 0 HB2 ALA A 17 8.695 11.943 18.575 1.00 10.00 H new ATOM 0 HB3 ALA A 17 7.756 12.649 17.239 1.00 10.00 H new ATOM 242 N ASN A 18 6.275 9.567 16.329 1.00 10.00 N ATOM 243 CA ASN A 18 5.243 9.079 15.431 1.00 10.00 C ATOM 244 C ASN A 18 4.543 10.268 14.770 1.00 10.00 C ATOM 245 O ASN A 18 4.267 10.242 13.571 1.00 10.00 O ATOM 246 CB ASN A 18 4.188 8.273 16.191 1.00 10.00 C ATOM 247 CG ASN A 18 4.761 6.940 16.677 1.00 10.00 C ATOM 248 OD1 ASN A 18 5.641 6.354 16.068 1.00 10.00 O ATOM 249 ND2 ASN A 18 4.215 6.496 17.806 1.00 10.00 N ATOM 0 H ASN A 18 6.129 9.337 17.312 1.00 10.00 H new ATOM 0 HA ASN A 18 5.719 8.440 14.687 1.00 10.00 H new ATOM 0 HB2 ASN A 18 3.828 8.850 17.043 1.00 10.00 H new ATOM 0 HB3 ASN A 18 3.330 8.090 15.544 1.00 10.00 H new ATOM 0 HD21 ASN A 18 4.530 5.615 18.213 1.00 10.00 H new ATOM 0 HD22 ASN A 18 3.482 7.037 18.265 1.00 10.00 H new ATOM 256 N ASN A 19 4.277 11.282 15.580 1.00 10.00 N ATOM 257 CA ASN A 19 3.597 12.471 15.093 1.00 10.00 C ATOM 258 C ASN A 19 4.493 13.185 14.078 1.00 10.00 C ATOM 259 O ASN A 19 3.999 13.802 13.136 1.00 10.00 O ATOM 260 CB ASN A 19 3.306 13.446 16.235 1.00 10.00 C ATOM 261 CG ASN A 19 4.572 13.737 17.043 1.00 10.00 C ATOM 262 OD1 ASN A 19 5.426 14.514 16.650 1.00 10.00 O ATOM 263 ND2 ASN A 19 4.645 13.072 18.193 1.00 10.00 N ATOM 0 H ASN A 19 4.520 11.305 16.570 1.00 10.00 H new ATOM 0 HA ASN A 19 2.657 12.159 14.637 1.00 10.00 H new ATOM 0 HB2 ASN A 19 2.906 14.376 15.831 1.00 10.00 H new ATOM 0 HB3 ASN A 19 2.541 13.028 16.889 1.00 10.00 H new ATOM 0 HD21 ASN A 19 5.451 13.198 18.805 1.00 10.00 H new ATOM 0 HD22 ASN A 19 3.895 12.436 18.463 1.00 10.00 H new ATOM 270 N TYR A 20 5.794 13.076 14.305 1.00 10.00 N ATOM 271 CA TYR A 20 6.760 13.751 13.456 1.00 10.00 C ATOM 272 C TYR A 20 6.864 13.066 12.092 1.00 10.00 C ATOM 273 O TYR A 20 7.099 13.723 11.079 1.00 10.00 O ATOM 274 CB TYR A 20 8.106 13.636 14.175 1.00 10.00 C ATOM 275 CG TYR A 20 9.167 14.615 13.670 1.00 10.00 C ATOM 276 CD1 TYR A 20 9.871 14.335 12.516 1.00 10.00 C ATOM 277 CD2 TYR A 20 9.421 15.779 14.367 1.00 10.00 C ATOM 278 CE1 TYR A 20 10.870 15.257 12.040 1.00 10.00 C ATOM 279 CE2 TYR A 20 10.420 16.700 13.892 1.00 10.00 C ATOM 280 CZ TYR A 20 11.095 16.394 12.752 1.00 10.00 C ATOM 281 OH TYR A 20 12.038 17.264 12.302 1.00 10.00 O ATOM 0 H TYR A 20 6.201 12.530 15.065 1.00 10.00 H new ATOM 0 HA TYR A 20 6.464 14.786 13.285 1.00 10.00 H new ATOM 0 HB2 TYR A 20 7.952 13.801 15.241 1.00 10.00 H new ATOM 0 HB3 TYR A 20 8.481 12.619 14.061 1.00 10.00 H new ATOM 0 HD1 TYR A 20 9.673 13.425 11.970 1.00 10.00 H new ATOM 0 HD2 TYR A 20 8.870 15.999 15.269 1.00 10.00 H new ATOM 0 HE1 TYR A 20 11.428 15.050 11.138 1.00 10.00 H new ATOM 0 HE2 TYR A 20 10.629 17.614 14.429 1.00 10.00 H new ATOM 0 HH TYR A 20 12.091 18.032 12.909 1.00 10.00 H new ATOM 291 N CYS A 21 6.684 11.753 12.110 1.00 10.00 N ATOM 292 CA CYS A 21 6.585 10.995 10.874 1.00 10.00 C ATOM 293 C CYS A 21 5.252 11.338 10.206 1.00 10.00 C ATOM 294 O CYS A 21 5.219 11.715 9.035 1.00 10.00 O ATOM 295 CB CYS A 21 6.730 9.492 11.120 1.00 10.00 C ATOM 296 SG CYS A 21 6.218 8.432 9.718 1.00 10.00 S ATOM 0 H CYS A 21 6.604 11.195 12.960 1.00 10.00 H new ATOM 0 HA CYS A 21 7.404 11.269 10.209 1.00 10.00 H new ATOM 0 HB2 CYS A 21 7.771 9.276 11.359 1.00 10.00 H new ATOM 0 HB3 CYS A 21 6.139 9.223 11.996 1.00 10.00 H new ATOM 301 N ASP A 22 4.185 11.195 10.978 1.00 10.00 N ATOM 302 CA ASP A 22 2.861 11.033 10.403 1.00 10.00 C ATOM 303 C ASP A 22 2.519 12.267 9.565 1.00 10.00 C ATOM 304 O ASP A 22 2.031 12.144 8.443 1.00 10.00 O ATOM 305 CB ASP A 22 1.799 10.895 11.495 1.00 10.00 C ATOM 306 CG ASP A 22 0.392 10.568 10.992 1.00 10.00 C ATOM 307 OD1 ASP A 22 0.070 9.405 10.706 1.00 10.00 O ATOM 308 OD2 ASP A 22 -0.402 11.580 10.895 1.00 10.00 O ATOM 0 H ASP A 22 4.211 11.188 11.998 1.00 10.00 H new ATOM 0 HA ASP A 22 2.868 10.131 9.791 1.00 10.00 H new ATOM 0 HB2 ASP A 22 2.111 10.114 12.188 1.00 10.00 H new ATOM 0 HB3 ASP A 22 1.759 11.826 12.061 1.00 10.00 H new ATOM 314 N ASN A 23 2.791 13.429 10.142 1.00 10.00 N ATOM 315 CA ASN A 23 2.452 14.684 9.493 1.00 10.00 C ATOM 316 C ASN A 23 3.228 14.799 8.180 1.00 10.00 C ATOM 317 O ASN A 23 2.752 15.411 7.225 1.00 10.00 O ATOM 318 CB ASN A 23 2.830 15.878 10.372 1.00 10.00 C ATOM 319 CG ASN A 23 4.326 16.181 10.272 1.00 10.00 C ATOM 320 OD1 ASN A 23 4.769 16.997 9.480 1.00 10.00 O ATOM 321 ND2 ASN A 23 5.078 15.480 11.116 1.00 10.00 N ATOM 0 H ASN A 23 3.242 13.527 11.052 1.00 10.00 H new ATOM 0 HA ASN A 23 1.377 14.693 9.316 1.00 10.00 H new ATOM 0 HB2 ASN A 23 2.257 16.754 10.068 1.00 10.00 H new ATOM 0 HB3 ASN A 23 2.566 15.669 11.409 1.00 10.00 H new ATOM 0 HD21 ASN A 23 6.090 15.610 11.126 1.00 10.00 H new ATOM 0 HD22 ASN A 23 4.643 14.813 11.753 1.00 10.00 H new ATOM 328 N GLN A 24 4.411 14.202 8.174 1.00 10.00 N ATOM 329 CA GLN A 24 5.270 14.253 7.003 1.00 10.00 C ATOM 330 C GLN A 24 4.821 13.219 5.969 1.00 10.00 C ATOM 331 O GLN A 24 4.976 13.429 4.767 1.00 10.00 O ATOM 332 CB GLN A 24 6.735 14.043 7.388 1.00 10.00 C ATOM 333 CG GLN A 24 7.667 14.454 6.246 1.00 10.00 C ATOM 334 CD GLN A 24 9.133 14.340 6.666 1.00 10.00 C ATOM 335 OE1 GLN A 24 9.465 14.244 7.836 1.00 10.00 O ATOM 336 NE2 GLN A 24 9.990 14.356 5.649 1.00 10.00 N ATOM 0 H GLN A 24 4.795 13.680 8.962 1.00 10.00 H new ATOM 0 HA GLN A 24 5.184 15.244 6.557 1.00 10.00 H new ATOM 0 HB2 GLN A 24 6.967 14.626 8.279 1.00 10.00 H new ATOM 0 HB3 GLN A 24 6.902 12.996 7.639 1.00 10.00 H new ATOM 0 HG2 GLN A 24 7.484 13.822 5.377 1.00 10.00 H new ATOM 0 HG3 GLN A 24 7.450 15.479 5.946 1.00 10.00 H new ATOM 0 HE21 GLN A 24 9.645 14.439 4.693 1.00 10.00 H new ATOM 0 HE22 GLN A 24 10.992 14.285 5.825 1.00 10.00 H new ATOM 345 N CYS A 25 4.272 12.124 6.475 1.00 10.00 N ATOM 346 CA CYS A 25 3.793 11.059 5.610 1.00 10.00 C ATOM 347 C CYS A 25 2.543 11.558 4.881 1.00 10.00 C ATOM 348 O CYS A 25 2.444 11.440 3.661 1.00 10.00 O ATOM 349 CB CYS A 25 3.521 9.773 6.394 1.00 10.00 C ATOM 350 SG CYS A 25 5.007 8.989 7.120 1.00 10.00 S ATOM 0 H CYS A 25 4.148 11.951 7.473 1.00 10.00 H new ATOM 0 HA CYS A 25 4.562 10.806 4.880 1.00 10.00 H new ATOM 0 HB2 CYS A 25 2.816 9.995 7.195 1.00 10.00 H new ATOM 0 HB3 CYS A 25 3.036 9.056 5.732 1.00 10.00 H new ATOM 355 N LYS A 26 1.621 12.104 5.660 1.00 10.00 N ATOM 356 CA LYS A 26 0.301 12.424 5.145 1.00 10.00 C ATOM 357 C LYS A 26 0.390 13.675 4.268 1.00 10.00 C ATOM 358 O LYS A 26 -0.556 14.005 3.555 1.00 10.00 O ATOM 359 CB LYS A 26 -0.706 12.547 6.291 1.00 10.00 C ATOM 360 CG LYS A 26 -0.369 13.738 7.191 1.00 10.00 C ATOM 361 CD LYS A 26 -1.591 14.636 7.393 1.00 10.00 C ATOM 362 CE LYS A 26 -1.857 15.488 6.150 1.00 10.00 C ATOM 363 NZ LYS A 26 -2.915 16.486 6.423 1.00 10.00 N ATOM 0 H LYS A 26 1.762 12.333 6.644 1.00 10.00 H new ATOM 0 HA LYS A 26 -0.067 11.616 4.513 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -1.711 12.666 5.886 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -0.706 11.630 6.880 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -0.013 13.379 8.157 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.442 14.316 6.747 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -2.465 14.023 7.612 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -1.432 15.284 8.255 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -0.941 15.994 5.846 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -2.158 14.848 5.321 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -3.083 17.056 5.569 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -3.793 15.997 6.691 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -2.614 17.108 7.200 1.00 10.00 H new ATOM 376 N MET A 27 1.535 14.335 4.349 1.00 10.00 N ATOM 377 CA MET A 27 1.766 15.533 3.559 1.00 10.00 C ATOM 378 C MET A 27 1.414 15.296 2.089 1.00 10.00 C ATOM 379 O MET A 27 0.807 16.152 1.446 1.00 10.00 O ATOM 380 CB MET A 27 3.235 15.944 3.672 1.00 10.00 C ATOM 381 CG MET A 27 3.443 17.376 3.177 1.00 10.00 C ATOM 382 SD MET A 27 5.122 17.588 2.609 1.00 10.00 S ATOM 383 CE MET A 27 6.010 17.115 4.083 1.00 10.00 C ATOM 0 H MET A 27 2.313 14.063 4.950 1.00 10.00 H new ATOM 0 HA MET A 27 1.127 16.328 3.943 1.00 10.00 H new ATOM 0 HB2 MET A 27 3.560 15.863 4.709 1.00 10.00 H new ATOM 0 HB3 MET A 27 3.853 15.261 3.090 1.00 10.00 H new ATOM 0 HG2 MET A 27 2.746 17.595 2.368 1.00 10.00 H new ATOM 0 HG3 MET A 27 3.230 18.082 3.980 1.00 10.00 H new ATOM 0 HE1 MET A 27 7.029 17.499 4.033 1.00 10.00 H new ATOM 0 HE2 MET A 27 5.509 17.529 4.958 1.00 10.00 H new ATOM 0 HE3 MET A 27 6.035 16.028 4.160 1.00 10.00 H new ATOM 393 N LYS A 28 1.809 14.130 1.599 1.00 10.00 N ATOM 394 CA LYS A 28 1.673 13.827 0.185 1.00 10.00 C ATOM 395 C LYS A 28 1.966 12.343 -0.046 1.00 10.00 C ATOM 396 O LYS A 28 1.205 11.655 -0.723 1.00 10.00 O ATOM 397 CB LYS A 28 2.549 14.764 -0.650 1.00 10.00 C ATOM 398 CG LYS A 28 4.022 14.636 -0.253 1.00 10.00 C ATOM 399 CD LYS A 28 4.848 15.786 -0.832 1.00 10.00 C ATOM 400 CE LYS A 28 6.322 15.651 -0.446 1.00 10.00 C ATOM 401 NZ LYS A 28 6.915 14.451 -1.076 1.00 10.00 N ATOM 0 H LYS A 28 2.224 13.383 2.157 1.00 10.00 H new ATOM 0 HA LYS A 28 0.650 14.005 -0.146 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.432 14.530 -1.708 1.00 10.00 H new ATOM 0 HB3 LYS A 28 2.220 15.794 -0.513 1.00 10.00 H new ATOM 0 HG2 LYS A 28 4.110 14.631 0.833 1.00 10.00 H new ATOM 0 HG3 LYS A 28 4.417 13.685 -0.609 1.00 10.00 H new ATOM 0 HD2 LYS A 28 4.752 15.797 -1.918 1.00 10.00 H new ATOM 0 HD3 LYS A 28 4.459 16.737 -0.468 1.00 10.00 H new ATOM 0 HE2 LYS A 28 6.869 16.541 -0.758 1.00 10.00 H new ATOM 0 HE3 LYS A 28 6.415 15.584 0.638 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 7.142 13.750 -0.342 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 6.236 14.041 -1.749 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 7.785 14.718 -1.580 1.00 10.00 H new ATOM 414 N LYS A 29 3.071 11.895 0.531 1.00 10.00 N ATOM 415 CA LYS A 29 3.600 10.579 0.215 1.00 10.00 C ATOM 416 C LYS A 29 2.511 9.528 0.443 1.00 10.00 C ATOM 417 O LYS A 29 2.292 8.662 -0.402 1.00 10.00 O ATOM 418 CB LYS A 29 4.885 10.314 1.002 1.00 10.00 C ATOM 419 CG LYS A 29 6.089 10.970 0.323 1.00 10.00 C ATOM 420 CD LYS A 29 6.591 10.118 -0.845 1.00 10.00 C ATOM 421 CE LYS A 29 7.709 10.835 -1.605 1.00 10.00 C ATOM 422 NZ LYS A 29 8.963 10.820 -0.818 1.00 10.00 N ATOM 0 H LYS A 29 3.615 12.420 1.216 1.00 10.00 H new ATOM 0 HA LYS A 29 3.881 10.524 -0.837 1.00 10.00 H new ATOM 0 HB2 LYS A 29 4.780 10.699 2.016 1.00 10.00 H new ATOM 0 HB3 LYS A 29 5.050 9.240 1.085 1.00 10.00 H new ATOM 0 HG2 LYS A 29 5.813 11.961 -0.037 1.00 10.00 H new ATOM 0 HG3 LYS A 29 6.891 11.107 1.049 1.00 10.00 H new ATOM 0 HD2 LYS A 29 6.956 9.161 -0.472 1.00 10.00 H new ATOM 0 HD3 LYS A 29 5.766 9.902 -1.523 1.00 10.00 H new ATOM 0 HE2 LYS A 29 7.871 10.350 -2.568 1.00 10.00 H new ATOM 0 HE3 LYS A 29 7.415 11.864 -1.812 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 9.746 11.172 -1.405 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 8.856 11.430 0.018 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 9.170 9.848 -0.513 1.00 10.00 H new ATOM 435 N ALA A 30 1.857 9.640 1.591 1.00 10.00 N ATOM 436 CA ALA A 30 1.091 8.527 2.127 1.00 10.00 C ATOM 437 C ALA A 30 -0.183 9.061 2.783 1.00 10.00 C ATOM 438 O ALA A 30 -0.491 10.247 2.676 1.00 10.00 O ATOM 439 CB ALA A 30 1.961 7.732 3.103 1.00 10.00 C ATOM 0 H ALA A 30 1.842 10.484 2.164 1.00 10.00 H new ATOM 0 HA ALA A 30 0.791 7.847 1.330 1.00 10.00 H new ATOM 0 HB1 ALA A 30 1.387 6.897 3.505 1.00 10.00 H new ATOM 0 HB2 ALA A 30 2.838 7.351 2.581 1.00 10.00 H new ATOM 0 HB3 ALA A 30 2.278 8.381 3.919 1.00 10.00 H new ATOM 445 N SER A 31 -0.891 8.159 3.448 1.00 10.00 N ATOM 446 CA SER A 31 -2.061 8.545 4.217 1.00 10.00 C ATOM 447 C SER A 31 -1.651 8.919 5.643 1.00 10.00 C ATOM 448 O SER A 31 -2.272 9.778 6.266 1.00 10.00 O ATOM 449 CB SER A 31 -3.099 7.421 4.241 1.00 10.00 C ATOM 450 OG SER A 31 -4.273 7.794 4.959 1.00 10.00 O ATOM 0 H SER A 31 -0.676 7.162 3.470 1.00 10.00 H new ATOM 0 HA SER A 31 -2.514 9.412 3.737 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.368 7.154 3.219 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.662 6.533 4.697 1.00 10.00 H new ATOM 0 HG SER A 31 -4.912 7.051 4.950 1.00 10.00 H new ATOM 456 N GLY A 32 -0.607 8.255 6.117 1.00 10.00 N ATOM 457 CA GLY A 32 -0.105 8.507 7.457 1.00 10.00 C ATOM 458 C GLY A 32 1.090 7.606 7.775 1.00 10.00 C ATOM 459 O GLY A 32 1.798 7.167 6.870 1.00 10.00 O ATOM 0 H GLY A 32 -0.095 7.543 5.597 1.00 10.00 H new ATOM 0 HA2 GLY A 32 0.189 9.553 7.548 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -0.898 8.335 8.184 1.00 10.00 H new ATOM 463 N GLY A 33 1.276 7.356 9.062 1.00 10.00 N ATOM 464 CA GLY A 33 2.131 6.265 9.497 1.00 10.00 C ATOM 465 C GLY A 33 2.862 6.623 10.793 1.00 10.00 C ATOM 466 O GLY A 33 2.444 7.526 11.516 1.00 10.00 O ATOM 0 H GLY A 33 0.849 7.891 9.818 1.00 10.00 H new ATOM 0 HA2 GLY A 33 1.532 5.367 9.650 1.00 10.00 H new ATOM 0 HA3 GLY A 33 2.857 6.035 8.718 1.00 10.00 H new ATOM 470 N HIS A 34 3.940 5.896 11.047 1.00 10.00 N ATOM 471 CA HIS A 34 4.525 5.865 12.377 1.00 10.00 C ATOM 472 C HIS A 34 6.051 5.883 12.267 1.00 10.00 C ATOM 473 O HIS A 34 6.601 5.702 11.182 1.00 10.00 O ATOM 474 CB HIS A 34 4.002 4.667 13.172 1.00 10.00 C ATOM 475 CG HIS A 34 2.531 4.391 12.971 1.00 10.00 C ATOM 476 ND1 HIS A 34 1.545 5.305 13.299 1.00 10.00 N ATOM 477 CD2 HIS A 34 1.890 3.296 12.470 1.00 10.00 C ATOM 478 CE1 HIS A 34 0.367 4.773 13.007 1.00 10.00 C ATOM 479 NE2 HIS A 34 0.583 3.527 12.494 1.00 10.00 N ATOM 0 H HIS A 34 4.424 5.324 10.355 1.00 10.00 H new ATOM 0 HA HIS A 34 4.225 6.754 12.931 1.00 10.00 H new ATOM 0 HB2 HIS A 34 4.569 3.780 12.889 1.00 10.00 H new ATOM 0 HB3 HIS A 34 4.187 4.839 14.232 1.00 10.00 H new ATOM 0 HD2 HIS A 34 2.365 2.394 12.114 1.00 10.00 H new ATOM 0 HE1 HIS A 34 -0.595 5.243 13.150 1.00 10.00 H new ATOM 0 HE2 HIS A 34 -0.141 2.880 12.181 1.00 10.00 H new ATOM 487 N CYS A 35 6.691 6.103 13.406 1.00 10.00 N ATOM 488 CA CYS A 35 8.131 6.300 13.429 1.00 10.00 C ATOM 489 C CYS A 35 8.780 5.031 13.984 1.00 10.00 C ATOM 490 O CYS A 35 8.810 4.824 15.196 1.00 10.00 O ATOM 491 CB CYS A 35 8.519 7.540 14.236 1.00 10.00 C ATOM 492 SG CYS A 35 10.310 7.919 14.246 1.00 10.00 S ATOM 0 H CYS A 35 6.239 6.149 14.319 1.00 10.00 H new ATOM 0 HA CYS A 35 8.493 6.479 12.417 1.00 10.00 H new ATOM 0 HB2 CYS A 35 7.982 8.400 13.835 1.00 10.00 H new ATOM 0 HB3 CYS A 35 8.184 7.406 15.265 1.00 10.00 H new ATOM 497 N TYR A 36 9.285 4.214 13.070 1.00 10.00 N ATOM 498 CA TYR A 36 9.855 2.932 13.446 1.00 10.00 C ATOM 499 C TYR A 36 11.366 2.912 13.207 1.00 10.00 C ATOM 500 O TYR A 36 11.836 3.324 12.147 1.00 10.00 O ATOM 501 CB TYR A 36 9.193 1.894 12.538 1.00 10.00 C ATOM 502 CG TYR A 36 9.424 0.446 12.976 1.00 10.00 C ATOM 503 CD1 TYR A 36 10.597 -0.198 12.638 1.00 10.00 C ATOM 504 CD2 TYR A 36 8.459 -0.215 13.708 1.00 10.00 C ATOM 505 CE1 TYR A 36 10.814 -1.561 13.051 1.00 10.00 C ATOM 506 CE2 TYR A 36 8.676 -1.578 14.121 1.00 10.00 C ATOM 507 CZ TYR A 36 9.843 -2.183 13.772 1.00 10.00 C ATOM 508 OH TYR A 36 10.048 -3.470 14.161 1.00 10.00 O ATOM 0 H TYR A 36 9.311 4.416 12.070 1.00 10.00 H new ATOM 0 HA TYR A 36 9.685 2.732 14.504 1.00 10.00 H new ATOM 0 HB2 TYR A 36 8.121 2.086 12.505 1.00 10.00 H new ATOM 0 HB3 TYR A 36 9.571 2.020 11.523 1.00 10.00 H new ATOM 0 HD1 TYR A 36 11.352 0.319 12.064 1.00 10.00 H new ATOM 0 HD2 TYR A 36 7.541 0.289 13.971 1.00 10.00 H new ATOM 0 HE1 TYR A 36 11.727 -2.077 12.794 1.00 10.00 H new ATOM 0 HE2 TYR A 36 7.929 -2.107 14.694 1.00 10.00 H new ATOM 0 HH TYR A 36 9.272 -3.786 14.669 1.00 10.00 H new ATOM 518 N ALA A 37 12.085 2.429 14.209 1.00 10.00 N ATOM 519 CA ALA A 37 13.537 2.408 14.146 1.00 10.00 C ATOM 520 C ALA A 37 14.038 3.743 13.592 1.00 10.00 C ATOM 521 O ALA A 37 14.686 3.781 12.547 1.00 10.00 O ATOM 522 CB ALA A 37 13.994 1.217 13.302 1.00 10.00 C ATOM 0 H ALA A 37 11.690 2.049 15.069 1.00 10.00 H new ATOM 0 HA ALA A 37 13.963 2.284 15.142 1.00 10.00 H new ATOM 0 HB1 ALA A 37 15.083 1.201 13.255 1.00 10.00 H new ATOM 0 HB2 ALA A 37 13.637 0.292 13.755 1.00 10.00 H new ATOM 0 HB3 ALA A 37 13.588 1.308 12.294 1.00 10.00 H new ATOM 528 N MET A 38 13.720 4.805 14.317 1.00 10.00 N ATOM 529 CA MET A 38 14.009 6.148 13.843 1.00 10.00 C ATOM 530 C MET A 38 13.995 6.205 12.314 1.00 10.00 C ATOM 531 O MET A 38 14.969 6.632 11.696 1.00 10.00 O ATOM 532 CB MET A 38 15.382 6.587 14.357 1.00 10.00 C ATOM 533 CG MET A 38 16.446 5.531 14.051 1.00 10.00 C ATOM 534 SD MET A 38 18.059 6.137 14.513 1.00 10.00 S ATOM 535 CE MET A 38 19.065 4.744 14.028 1.00 10.00 C ATOM 0 H MET A 38 13.265 4.763 15.229 1.00 10.00 H new ATOM 0 HA MET A 38 13.238 6.820 14.220 1.00 10.00 H new ATOM 0 HB2 MET A 38 15.661 7.534 13.895 1.00 10.00 H new ATOM 0 HB3 MET A 38 15.334 6.759 15.432 1.00 10.00 H new ATOM 0 HG2 MET A 38 16.225 4.612 14.594 1.00 10.00 H new ATOM 0 HG3 MET A 38 16.431 5.285 12.989 1.00 10.00 H new ATOM 0 HE1 MET A 38 20.111 4.956 14.249 1.00 10.00 H new ATOM 0 HE2 MET A 38 18.750 3.858 14.580 1.00 10.00 H new ATOM 0 HE3 MET A 38 18.949 4.566 12.959 1.00 10.00 H new ATOM 545 N SER A 39 12.879 5.768 11.748 1.00 10.00 N ATOM 546 CA SER A 39 12.615 6.001 10.338 1.00 10.00 C ATOM 547 C SER A 39 11.106 6.001 10.082 1.00 10.00 C ATOM 548 O SER A 39 10.377 5.187 10.646 1.00 10.00 O ATOM 549 CB SER A 39 13.300 4.946 9.468 1.00 10.00 C ATOM 550 OG SER A 39 14.690 5.213 9.300 1.00 10.00 O ATOM 0 H SER A 39 12.148 5.254 12.240 1.00 10.00 H new ATOM 0 HA SER A 39 13.023 6.975 10.070 1.00 10.00 H new ATOM 0 HB2 SER A 39 13.172 3.963 9.922 1.00 10.00 H new ATOM 0 HB3 SER A 39 12.817 4.912 8.492 1.00 10.00 H new ATOM 0 HG SER A 39 14.997 5.810 10.014 1.00 10.00 H new ATOM 556 N CYS A 40 10.683 6.925 9.232 1.00 10.00 N ATOM 557 CA CYS A 40 9.265 7.202 9.073 1.00 10.00 C ATOM 558 C CYS A 40 8.644 6.073 8.249 1.00 10.00 C ATOM 559 O CYS A 40 8.711 6.086 7.021 1.00 10.00 O ATOM 560 CB CYS A 40 9.025 8.572 8.435 1.00 10.00 C ATOM 561 SG CYS A 40 7.268 8.972 8.114 1.00 10.00 S ATOM 0 H CYS A 40 11.297 7.491 8.646 1.00 10.00 H new ATOM 0 HA CYS A 40 8.788 7.241 10.052 1.00 10.00 H new ATOM 0 HB2 CYS A 40 9.445 9.339 9.086 1.00 10.00 H new ATOM 0 HB3 CYS A 40 9.572 8.619 7.493 1.00 10.00 H new ATOM 566 N TYR A 41 8.054 5.122 8.959 1.00 10.00 N ATOM 567 CA TYR A 41 7.286 4.072 8.311 1.00 10.00 C ATOM 568 C TYR A 41 5.909 4.585 7.883 1.00 10.00 C ATOM 569 O TYR A 41 4.976 4.609 8.683 1.00 10.00 O ATOM 570 CB TYR A 41 7.104 2.974 9.360 1.00 10.00 C ATOM 571 CG TYR A 41 6.338 1.750 8.853 1.00 10.00 C ATOM 572 CD1 TYR A 41 6.953 0.857 7.998 1.00 10.00 C ATOM 573 CD2 TYR A 41 5.034 1.539 9.250 1.00 10.00 C ATOM 574 CE1 TYR A 41 6.232 -0.295 7.521 1.00 10.00 C ATOM 575 CE2 TYR A 41 4.313 0.387 8.773 1.00 10.00 C ATOM 576 CZ TYR A 41 4.948 -0.473 7.932 1.00 10.00 C ATOM 577 OH TYR A 41 4.268 -1.561 7.482 1.00 10.00 O ATOM 0 H TYR A 41 8.092 5.057 9.976 1.00 10.00 H new ATOM 0 HA TYR A 41 7.800 3.716 7.418 1.00 10.00 H new ATOM 0 HB2 TYR A 41 8.085 2.656 9.712 1.00 10.00 H new ATOM 0 HB3 TYR A 41 6.577 3.390 10.219 1.00 10.00 H new ATOM 0 HD1 TYR A 41 7.974 1.022 7.687 1.00 10.00 H new ATOM 0 HD2 TYR A 41 4.553 2.238 9.919 1.00 10.00 H new ATOM 0 HE1 TYR A 41 6.701 -1.002 6.852 1.00 10.00 H new ATOM 0 HE2 TYR A 41 3.292 0.210 9.076 1.00 10.00 H new ATOM 0 HH TYR A 41 3.363 -1.560 7.858 1.00 10.00 H new ATOM 587 N CYS A 42 5.827 4.983 6.622 1.00 10.00 N ATOM 588 CA CYS A 42 4.629 5.632 6.118 1.00 10.00 C ATOM 589 C CYS A 42 3.685 4.552 5.587 1.00 10.00 C ATOM 590 O CYS A 42 4.123 3.457 5.235 1.00 10.00 O ATOM 591 CB CYS A 42 4.957 6.678 5.051 1.00 10.00 C ATOM 592 SG CYS A 42 5.977 8.079 5.637 1.00 10.00 S ATOM 0 H CYS A 42 6.571 4.868 5.934 1.00 10.00 H new ATOM 0 HA CYS A 42 4.140 6.176 6.926 1.00 10.00 H new ATOM 0 HB2 CYS A 42 5.478 6.187 4.229 1.00 10.00 H new ATOM 0 HB3 CYS A 42 4.023 7.070 4.648 1.00 10.00 H new ATOM 597 N GLU A 43 2.406 4.896 5.546 1.00 10.00 N ATOM 598 CA GLU A 43 1.372 3.907 5.291 1.00 10.00 C ATOM 599 C GLU A 43 0.354 4.450 4.286 1.00 10.00 C ATOM 600 O GLU A 43 -0.107 5.583 4.415 1.00 10.00 O ATOM 601 CB GLU A 43 0.687 3.484 6.591 1.00 10.00 C ATOM 602 CG GLU A 43 1.634 2.663 7.469 1.00 10.00 C ATOM 603 CD GLU A 43 0.918 2.152 8.720 1.00 10.00 C ATOM 604 OE1 GLU A 43 0.685 0.941 8.850 1.00 10.00 O ATOM 605 OE2 GLU A 43 0.601 3.062 9.578 1.00 10.00 O ATOM 0 H GLU A 43 2.062 5.846 5.685 1.00 10.00 H new ATOM 0 HA GLU A 43 1.841 3.022 4.861 1.00 10.00 H new ATOM 0 HB2 GLU A 43 0.355 4.368 7.136 1.00 10.00 H new ATOM 0 HB3 GLU A 43 -0.203 2.898 6.363 1.00 10.00 H new ATOM 0 HG2 GLU A 43 2.024 1.820 6.899 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.488 3.275 7.759 1.00 10.00 H new ATOM 613 N GLY A 44 0.034 3.617 3.308 1.00 10.00 N ATOM 614 CA GLY A 44 -0.980 3.967 2.328 1.00 10.00 C ATOM 615 C GLY A 44 -0.391 4.842 1.219 1.00 10.00 C ATOM 616 O GLY A 44 -0.833 5.971 1.013 1.00 10.00 O ATOM 0 H GLY A 44 0.459 2.700 3.173 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.401 3.060 1.895 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -1.797 4.496 2.818 1.00 10.00 H new ATOM 620 N LEU A 45 0.597 4.286 0.533 1.00 10.00 N ATOM 621 CA LEU A 45 1.230 4.989 -0.570 1.00 10.00 C ATOM 622 C LEU A 45 0.595 4.539 -1.887 1.00 10.00 C ATOM 623 O LEU A 45 -0.008 3.470 -1.956 1.00 10.00 O ATOM 624 CB LEU A 45 2.748 4.802 -0.524 1.00 10.00 C ATOM 625 CG LEU A 45 3.471 5.473 0.646 1.00 10.00 C ATOM 626 CD1 LEU A 45 3.685 4.487 1.796 1.00 10.00 C ATOM 627 CD2 LEU A 45 4.784 6.110 0.186 1.00 10.00 C ATOM 0 H LEU A 45 0.975 3.357 0.720 1.00 10.00 H new ATOM 0 HA LEU A 45 1.061 6.062 -0.484 1.00 10.00 H new ATOM 0 HB2 LEU A 45 2.962 3.734 -0.493 1.00 10.00 H new ATOM 0 HB3 LEU A 45 3.170 5.185 -1.453 1.00 10.00 H new ATOM 0 HG LEU A 45 2.838 6.276 1.024 1.00 10.00 H new ATOM 0 HD11 LEU A 45 4.201 4.989 2.615 1.00 10.00 H new ATOM 0 HD12 LEU A 45 2.720 4.121 2.146 1.00 10.00 H new ATOM 0 HD13 LEU A 45 4.287 3.648 1.448 1.00 10.00 H new ATOM 0 HD21 LEU A 45 5.278 6.580 1.036 1.00 10.00 H new ATOM 0 HD22 LEU A 45 5.434 5.342 -0.232 1.00 10.00 H new ATOM 0 HD23 LEU A 45 4.576 6.863 -0.574 1.00 10.00 H new ATOM 639 N PRO A 46 0.756 5.401 -2.927 1.00 10.00 N ATOM 640 CA PRO A 46 0.591 4.956 -4.300 1.00 10.00 C ATOM 641 C PRO A 46 1.793 4.127 -4.756 1.00 10.00 C ATOM 642 O PRO A 46 2.877 4.233 -4.186 1.00 10.00 O ATOM 643 CB PRO A 46 0.409 6.231 -5.107 1.00 10.00 C ATOM 644 CG PRO A 46 0.940 7.357 -4.235 1.00 10.00 C ATOM 645 CD PRO A 46 1.099 6.816 -2.823 1.00 10.00 C ATOM 0 HA PRO A 46 -0.265 4.294 -4.427 1.00 10.00 H new ATOM 0 HB2 PRO A 46 0.954 6.177 -6.050 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -0.641 6.390 -5.354 1.00 10.00 H new ATOM 0 HG2 PRO A 46 1.896 7.717 -4.616 1.00 10.00 H new ATOM 0 HG3 PRO A 46 0.254 8.204 -4.245 1.00 10.00 H new ATOM 0 HD2 PRO A 46 2.118 6.951 -2.460 1.00 10.00 H new ATOM 0 HD3 PRO A 46 0.441 7.333 -2.125 1.00 10.00 H new ATOM 653 N GLU A 47 1.559 3.318 -5.780 1.00 10.00 N ATOM 654 CA GLU A 47 2.464 2.225 -6.091 1.00 10.00 C ATOM 655 C GLU A 47 3.677 2.744 -6.866 1.00 10.00 C ATOM 656 O GLU A 47 4.624 1.999 -7.114 1.00 10.00 O ATOM 657 CB GLU A 47 1.744 1.124 -6.874 1.00 10.00 C ATOM 658 CG GLU A 47 0.705 0.420 -5.999 1.00 10.00 C ATOM 659 CD GLU A 47 -0.019 -0.677 -6.783 1.00 10.00 C ATOM 660 OE1 GLU A 47 0.471 -1.814 -6.854 1.00 10.00 O ATOM 661 OE2 GLU A 47 -1.130 -0.315 -7.329 1.00 10.00 O ATOM 0 H GLU A 47 0.756 3.398 -6.404 1.00 10.00 H new ATOM 0 HA GLU A 47 2.814 1.791 -5.154 1.00 10.00 H new ATOM 0 HB2 GLU A 47 1.257 1.554 -7.749 1.00 10.00 H new ATOM 0 HB3 GLU A 47 2.470 0.398 -7.239 1.00 10.00 H new ATOM 0 HG2 GLU A 47 1.193 -0.014 -5.126 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -0.019 1.147 -5.631 1.00 10.00 H new ATOM 669 N ASN A 48 3.609 4.017 -7.225 1.00 10.00 N ATOM 670 CA ASN A 48 4.686 4.642 -7.974 1.00 10.00 C ATOM 671 C ASN A 48 5.801 5.051 -7.011 1.00 10.00 C ATOM 672 O ASN A 48 6.929 5.302 -7.432 1.00 10.00 O ATOM 673 CB ASN A 48 4.198 5.900 -8.695 1.00 10.00 C ATOM 674 CG ASN A 48 3.765 6.973 -7.693 1.00 10.00 C ATOM 675 OD1 ASN A 48 3.277 6.688 -6.612 1.00 10.00 O ATOM 676 ND2 ASN A 48 3.972 8.218 -8.111 1.00 10.00 N ATOM 0 H ASN A 48 2.825 4.633 -7.011 1.00 10.00 H new ATOM 0 HA ASN A 48 5.047 3.923 -8.709 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.993 6.290 -9.331 1.00 10.00 H new ATOM 0 HB3 ASN A 48 3.362 5.648 -9.348 1.00 10.00 H new ATOM 0 HD21 ASN A 48 3.718 9.005 -7.514 1.00 10.00 H new ATOM 0 HD22 ASN A 48 4.385 8.386 -9.028 1.00 10.00 H new ATOM 683 N ALA A 49 5.447 5.106 -5.735 1.00 10.00 N ATOM 684 CA ALA A 49 6.364 5.606 -4.725 1.00 10.00 C ATOM 685 C ALA A 49 7.334 4.492 -4.327 1.00 10.00 C ATOM 686 O ALA A 49 6.912 3.393 -3.971 1.00 10.00 O ATOM 687 CB ALA A 49 5.568 6.138 -3.531 1.00 10.00 C ATOM 0 H ALA A 49 4.538 4.813 -5.378 1.00 10.00 H new ATOM 0 HA ALA A 49 6.954 6.433 -5.119 1.00 10.00 H new ATOM 0 HB1 ALA A 49 6.256 6.513 -2.773 1.00 10.00 H new ATOM 0 HB2 ALA A 49 4.915 6.946 -3.860 1.00 10.00 H new ATOM 0 HB3 ALA A 49 4.966 5.334 -3.108 1.00 10.00 H new ATOM 693 N LYS A 50 8.617 4.814 -4.402 1.00 10.00 N ATOM 694 CA LYS A 50 9.650 3.871 -4.009 1.00 10.00 C ATOM 695 C LYS A 50 9.767 3.854 -2.484 1.00 10.00 C ATOM 696 O LYS A 50 10.035 4.884 -1.867 1.00 10.00 O ATOM 697 CB LYS A 50 10.966 4.189 -4.723 1.00 10.00 C ATOM 698 CG LYS A 50 12.104 3.317 -4.188 1.00 10.00 C ATOM 699 CD LYS A 50 11.891 1.848 -4.559 1.00 10.00 C ATOM 700 CE LYS A 50 13.108 1.004 -4.176 1.00 10.00 C ATOM 701 NZ LYS A 50 13.207 0.874 -2.706 1.00 10.00 N ATOM 0 H LYS A 50 8.965 5.715 -4.729 1.00 10.00 H new ATOM 0 HA LYS A 50 9.381 2.861 -4.319 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.851 4.026 -5.795 1.00 10.00 H new ATOM 0 HB3 LYS A 50 11.214 5.241 -4.585 1.00 10.00 H new ATOM 0 HG2 LYS A 50 13.054 3.664 -4.594 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.165 3.417 -3.104 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.005 1.466 -4.052 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.707 1.763 -5.630 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.030 0.016 -4.630 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.015 1.464 -4.568 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.829 0.075 -2.469 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.601 1.749 -2.306 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.261 0.707 -2.308 1.00 10.00 H new ATOM 714 N VAL A 51 9.559 2.674 -1.919 1.00 10.00 N ATOM 715 CA VAL A 51 9.723 2.490 -0.487 1.00 10.00 C ATOM 716 C VAL A 51 10.697 1.338 -0.233 1.00 10.00 C ATOM 717 O VAL A 51 10.852 0.454 -1.074 1.00 10.00 O ATOM 718 CB VAL A 51 8.359 2.275 0.172 1.00 10.00 C ATOM 719 CG1 VAL A 51 7.342 3.305 -0.325 1.00 10.00 C ATOM 720 CG2 VAL A 51 7.855 0.850 -0.061 1.00 10.00 C ATOM 0 H VAL A 51 9.278 1.835 -2.427 1.00 10.00 H new ATOM 0 HA VAL A 51 10.152 3.384 -0.034 1.00 10.00 H new ATOM 0 HB VAL A 51 8.480 2.415 1.246 1.00 10.00 H new ATOM 0 HG11 VAL A 51 6.381 3.130 0.159 1.00 10.00 H new ATOM 0 HG12 VAL A 51 7.693 4.308 -0.083 1.00 10.00 H new ATOM 0 HG13 VAL A 51 7.227 3.211 -1.405 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.884 0.725 0.418 1.00 10.00 H new ATOM 0 HG22 VAL A 51 7.758 0.669 -1.131 1.00 10.00 H new ATOM 0 HG23 VAL A 51 8.564 0.139 0.364 1.00 10.00 H new ATOM 730 N SER A 52 11.330 1.386 0.930 1.00 10.00 N ATOM 731 CA SER A 52 11.874 0.183 1.536 1.00 10.00 C ATOM 732 C SER A 52 10.831 -0.459 2.452 1.00 10.00 C ATOM 733 O SER A 52 10.020 0.238 3.060 1.00 10.00 O ATOM 734 CB SER A 52 13.151 0.491 2.321 1.00 10.00 C ATOM 735 OG SER A 52 13.489 -0.558 3.224 1.00 10.00 O ATOM 0 H SER A 52 11.478 2.239 1.469 1.00 10.00 H new ATOM 0 HA SER A 52 12.129 -0.516 0.739 1.00 10.00 H new ATOM 0 HB2 SER A 52 13.975 0.650 1.625 1.00 10.00 H new ATOM 0 HB3 SER A 52 13.020 1.419 2.877 1.00 10.00 H new ATOM 0 HG SER A 52 14.161 -1.140 2.812 1.00 10.00 H new ATOM 741 N ASP A 53 10.884 -1.781 2.522 1.00 10.00 N ATOM 742 CA ASP A 53 10.024 -2.518 3.432 1.00 10.00 C ATOM 743 C ASP A 53 10.774 -3.746 3.953 1.00 10.00 C ATOM 744 O ASP A 53 10.186 -4.814 4.117 1.00 10.00 O ATOM 745 CB ASP A 53 8.759 -3.004 2.722 1.00 10.00 C ATOM 746 CG ASP A 53 9.003 -3.851 1.472 1.00 10.00 C ATOM 747 OD1 ASP A 53 10.151 -4.049 1.049 1.00 10.00 O ATOM 748 OD2 ASP A 53 7.938 -4.325 0.918 1.00 10.00 O ATOM 0 H ASP A 53 11.510 -2.361 1.963 1.00 10.00 H new ATOM 0 HA ASP A 53 9.746 -1.851 4.248 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.166 -3.587 3.427 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.161 -2.136 2.443 1.00 10.00 H new ATOM 754 N SER A 54 12.062 -3.553 4.199 1.00 10.00 N ATOM 755 CA SER A 54 12.927 -4.660 4.568 1.00 10.00 C ATOM 756 C SER A 54 14.059 -4.162 5.469 1.00 10.00 C ATOM 757 O SER A 54 15.234 -4.337 5.149 1.00 10.00 O ATOM 758 CB SER A 54 13.500 -5.349 3.327 1.00 10.00 C ATOM 759 OG SER A 54 13.964 -4.409 2.362 1.00 10.00 O ATOM 0 H SER A 54 12.527 -2.646 4.150 1.00 10.00 H new ATOM 0 HA SER A 54 12.332 -5.392 5.114 1.00 10.00 H new ATOM 0 HB2 SER A 54 14.322 -6.002 3.622 1.00 10.00 H new ATOM 0 HB3 SER A 54 12.735 -5.982 2.878 1.00 10.00 H new ATOM 0 HG SER A 54 14.452 -3.689 2.814 1.00 10.00 H new ATOM 765 N ALA A 55 13.666 -3.553 6.577 1.00 10.00 N ATOM 766 CA ALA A 55 14.583 -3.350 7.686 1.00 10.00 C ATOM 767 C ALA A 55 15.809 -2.580 7.194 1.00 10.00 C ATOM 768 O ALA A 55 16.943 -3.005 7.410 1.00 10.00 O ATOM 769 CB ALA A 55 14.952 -4.704 8.297 1.00 10.00 C ATOM 0 H ALA A 55 12.724 -3.193 6.731 1.00 10.00 H new ATOM 0 HA ALA A 55 14.113 -2.755 8.469 1.00 10.00 H new ATOM 0 HB1 ALA A 55 15.640 -4.552 9.129 1.00 10.00 H new ATOM 0 HB2 ALA A 55 14.050 -5.198 8.657 1.00 10.00 H new ATOM 0 HB3 ALA A 55 15.429 -5.327 7.540 1.00 10.00 H new ATOM 775 N THR A 56 15.541 -1.459 6.540 1.00 10.00 N ATOM 776 CA THR A 56 16.593 -0.509 6.220 1.00 10.00 C ATOM 777 C THR A 56 17.678 -1.180 5.375 1.00 10.00 C ATOM 778 O THR A 56 18.832 -1.262 5.792 1.00 10.00 O ATOM 779 CB THR A 56 17.119 0.075 7.532 1.00 10.00 C ATOM 780 OG1 THR A 56 15.952 0.568 8.185 1.00 10.00 O ATOM 781 CG2 THR A 56 17.980 1.321 7.316 1.00 10.00 C ATOM 0 H THR A 56 14.610 -1.187 6.223 1.00 10.00 H new ATOM 0 HA THR A 56 16.213 0.312 5.612 1.00 10.00 H new ATOM 0 HB THR A 56 17.702 -0.681 8.058 1.00 10.00 H new ATOM 0 HG1 THR A 56 16.201 0.963 9.046 1.00 10.00 H new ATOM 0 HG21 THR A 56 18.327 1.695 8.279 1.00 10.00 H new ATOM 0 HG22 THR A 56 18.839 1.067 6.694 1.00 10.00 H new ATOM 0 HG23 THR A 56 17.388 2.091 6.820 1.00 10.00 H new ATOM 789 N ASN A 57 17.269 -1.643 4.203 1.00 10.00 N ATOM 790 CA ASN A 57 18.222 -2.065 3.191 1.00 10.00 C ATOM 791 C ASN A 57 18.680 -0.846 2.388 1.00 10.00 C ATOM 792 O ASN A 57 19.622 -0.934 1.602 1.00 10.00 O ATOM 793 CB ASN A 57 17.588 -3.061 2.218 1.00 10.00 C ATOM 794 CG ASN A 57 16.426 -2.420 1.458 1.00 10.00 C ATOM 795 OD1 ASN A 57 15.373 -2.137 2.005 1.00 10.00 O ATOM 796 ND2 ASN A 57 16.674 -2.208 0.168 1.00 10.00 N ATOM 0 H ASN A 57 16.290 -1.735 3.932 1.00 10.00 H new ATOM 0 HA ASN A 57 19.062 -2.540 3.697 1.00 10.00 H new ATOM 0 HB2 ASN A 57 18.339 -3.413 1.511 1.00 10.00 H new ATOM 0 HB3 ASN A 57 17.232 -3.934 2.766 1.00 10.00 H new ATOM 0 HD21 ASN A 57 15.961 -1.785 -0.426 1.00 10.00 H new ATOM 0 HD22 ASN A 57 17.578 -2.469 -0.227 1.00 10.00 H new ATOM 803 N ILE A 58 17.993 0.264 2.614 1.00 10.00 N ATOM 804 CA ILE A 58 18.479 1.553 2.152 1.00 10.00 C ATOM 805 C ILE A 58 18.713 2.466 3.357 1.00 10.00 C ATOM 806 O ILE A 58 18.043 2.335 4.380 1.00 10.00 O ATOM 807 CB ILE A 58 17.528 2.143 1.109 1.00 10.00 C ATOM 808 CG1 ILE A 58 17.495 1.280 -0.154 1.00 10.00 C ATOM 809 CG2 ILE A 58 17.887 3.598 0.800 1.00 10.00 C ATOM 810 CD1 ILE A 58 16.219 1.534 -0.959 1.00 10.00 C ATOM 0 H ILE A 58 17.103 0.297 3.111 1.00 10.00 H new ATOM 0 HA ILE A 58 19.438 1.439 1.646 1.00 10.00 H new ATOM 0 HB ILE A 58 16.521 2.142 1.526 1.00 10.00 H new ATOM 0 HG12 ILE A 58 18.367 1.498 -0.770 1.00 10.00 H new ATOM 0 HG13 ILE A 58 17.553 0.226 0.120 1.00 10.00 H new ATOM 0 HG21 ILE A 58 17.196 3.993 0.056 1.00 10.00 H new ATOM 0 HG22 ILE A 58 17.817 4.191 1.712 1.00 10.00 H new ATOM 0 HG23 ILE A 58 18.904 3.647 0.412 1.00 10.00 H new ATOM 0 HD11 ILE A 58 16.221 0.908 -1.851 1.00 10.00 H new ATOM 0 HD12 ILE A 58 15.349 1.292 -0.348 1.00 10.00 H new ATOM 0 HD13 ILE A 58 16.176 2.583 -1.252 1.00 10.00 H new