USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 406 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 52 SER OG : rot 130:sc= -0.0777 USER MOD Set 1.2: A 54 SER OG : rot 19:sc= -2.49! USER MOD Set 1.3: A 57 ASN : amide:sc= -5.5! C(o=-8.1!,f=-17!) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.0751 K(o=-0.075,f=-0.95) USER MOD Set 2.2: A 27 MET CE :methyl 174:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 158:sc= 0.813 (180deg=0.104) USER MOD Single : A 1 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.22) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.202 K(o=0.2,f=-4.3!) USER MOD Single : A 19 ASN : amide:sc= -4.65! C(o=-4.7!,f=-9.1!) USER MOD Single : A 20 TYR OH : rot 130:sc= -2.11! USER MOD Single : A 24 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.4!) USER MOD Single : A 26 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0134) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -5.05! X(o=-5!,f=-4.7) 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 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.735 F(o=-2.4,f=-0.73) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= -0.507 (180deg=-2.63!) USER MOD Single : A 56 THR OG1 : rot 59:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.881 10.452 -3.763 1.00 0.00 N ATOM 2 CA LYS A 1 -2.784 9.781 -4.523 1.00 0.00 C ATOM 3 C LYS A 1 -2.804 8.272 -4.263 1.00 0.00 C ATOM 4 O LYS A 1 -3.131 7.823 -3.183 1.00 0.00 O ATOM 5 CB LYS A 1 -1.491 10.400 -3.988 1.00 0.00 C ATOM 6 CG LYS A 1 -1.254 9.927 -2.552 1.00 0.00 C ATOM 7 CD LYS A 1 -0.131 10.753 -1.919 1.00 0.00 C ATOM 8 CE LYS A 1 0.414 10.016 -0.693 1.00 0.00 C ATOM 9 NZ LYS A 1 1.230 11.029 0.034 1.00 0.00 N ATOM 0 H1 LYS A 1 -3.650 11.458 -3.636 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.773 10.365 -4.291 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.985 10.001 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 1 -2.886 9.919 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.650 10.114 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.557 11.488 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.169 10.031 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -0.990 8.870 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.667 10.917 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.506 11.735 -1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.395 9.638 -0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 1 1.019 9.158 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.183 10.649 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.300 11.894 -0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 0.777 11.252 0.943 1.00 0.00 H new ATOM 25 N ASP A 2 -2.452 7.488 -5.244 1.00 0.00 N ATOM 26 CA ASP A 2 -2.444 6.008 -5.053 1.00 0.00 C ATOM 27 C ASP A 2 -1.011 5.519 -4.836 1.00 0.00 C ATOM 28 O ASP A 2 -0.068 6.100 -5.335 1.00 0.00 O ATOM 29 CB ASP A 2 -3.015 5.437 -6.352 1.00 0.00 C ATOM 30 CG ASP A 2 -4.250 6.238 -6.766 1.00 0.00 C ATOM 31 OD1 ASP A 2 -4.952 6.705 -5.884 1.00 0.00 O ATOM 32 OD2 ASP A 2 -4.473 6.372 -7.958 1.00 0.00 O ATOM 0 H ASP A 2 -2.169 7.807 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.024 5.697 -4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.263 5.476 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.279 4.388 -6.215 1.00 0.00 H new ATOM 37 N GLY A 3 -0.835 4.459 -4.095 1.00 0.00 N ATOM 38 CA GLY A 3 0.545 3.949 -3.854 1.00 0.00 C ATOM 39 C GLY A 3 0.502 2.753 -2.904 1.00 0.00 C ATOM 40 O GLY A 3 -0.532 2.159 -2.676 1.00 0.00 O ATOM 0 H GLY A 3 -1.582 3.927 -3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.004 3.657 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.164 4.739 -3.429 1.00 0.00 H new ATOM 44 N TYR A 4 1.627 2.405 -2.348 1.00 0.00 N ATOM 45 CA TYR A 4 1.676 1.253 -1.403 1.00 0.00 C ATOM 46 C TYR A 4 1.899 1.767 0.019 1.00 0.00 C ATOM 47 O TYR A 4 2.766 2.585 0.247 1.00 0.00 O ATOM 48 CB TYR A 4 2.878 0.416 -1.847 1.00 0.00 C ATOM 49 CG TYR A 4 2.769 0.083 -3.317 1.00 0.00 C ATOM 50 CD1 TYR A 4 2.089 -1.071 -3.725 1.00 0.00 C ATOM 51 CD2 TYR A 4 3.359 0.921 -4.269 1.00 0.00 C ATOM 52 CE1 TYR A 4 1.998 -1.385 -5.086 1.00 0.00 C ATOM 53 CE2 TYR A 4 3.268 0.608 -5.631 1.00 0.00 C ATOM 54 CZ TYR A 4 2.587 -0.546 -6.040 1.00 0.00 C ATOM 55 OH TYR A 4 2.499 -0.858 -7.382 1.00 0.00 O ATOM 0 H TYR A 4 2.520 2.871 -2.507 1.00 0.00 H new ATOM 0 HA TYR A 4 0.752 0.675 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.801 0.964 -1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 4 2.927 -0.502 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.635 -1.719 -2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.885 1.810 -3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.473 -2.275 -5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 4 3.723 1.256 -6.366 1.00 0.00 H new ATOM 0 HH TYR A 4 2.960 -0.172 -7.908 1.00 0.00 H new ATOM 65 N PRO A 5 1.113 1.269 0.931 1.00 0.00 N ATOM 66 CA PRO A 5 1.240 1.693 2.345 1.00 0.00 C ATOM 67 C PRO A 5 2.517 1.113 2.954 1.00 0.00 C ATOM 68 O PRO A 5 2.869 -0.025 2.715 1.00 0.00 O ATOM 69 CB PRO A 5 0.003 1.101 3.010 1.00 0.00 C ATOM 70 CG PRO A 5 -0.375 -0.063 2.149 1.00 0.00 C ATOM 71 CD PRO A 5 0.048 0.278 0.743 1.00 0.00 C ATOM 0 HA PRO A 5 1.304 2.774 2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.216 0.785 4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.804 1.831 3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.118 -0.973 2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.449 -0.246 2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.409 -0.601 0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.780 0.685 0.163 1.00 0.00 H new ATOM 79 N VAL A 6 3.214 1.886 3.737 1.00 0.00 N ATOM 80 CA VAL A 6 4.470 1.371 4.356 1.00 0.00 C ATOM 81 C VAL A 6 4.376 1.412 5.881 1.00 0.00 C ATOM 82 O VAL A 6 3.464 1.983 6.445 1.00 0.00 O ATOM 83 CB VAL A 6 5.576 2.303 3.865 1.00 0.00 C ATOM 84 CG1 VAL A 6 5.744 2.144 2.355 1.00 0.00 C ATOM 85 CG2 VAL A 6 5.208 3.753 4.190 1.00 0.00 C ATOM 0 H VAL A 6 2.972 2.848 3.976 1.00 0.00 H new ATOM 0 HA VAL A 6 4.659 0.334 4.080 1.00 0.00 H new ATOM 0 HB VAL A 6 6.512 2.048 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.533 2.809 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.010 1.112 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.808 2.397 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.998 4.416 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.272 4.010 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.092 3.866 5.268 1.00 0.00 H new ATOM 95 N ASP A 7 5.317 0.808 6.553 1.00 0.00 N ATOM 96 CA ASP A 7 5.287 0.808 8.044 1.00 0.00 C ATOM 97 C ASP A 7 6.136 1.958 8.594 1.00 0.00 C ATOM 98 O ASP A 7 6.537 2.848 7.871 1.00 0.00 O ATOM 99 CB ASP A 7 5.877 -0.541 8.456 1.00 0.00 C ATOM 100 CG ASP A 7 7.315 -0.648 7.945 1.00 0.00 C ATOM 101 OD1 ASP A 7 7.805 0.329 7.403 1.00 0.00 O ATOM 102 OD2 ASP A 7 7.902 -1.707 8.104 1.00 0.00 O ATOM 0 H ASP A 7 6.106 0.314 6.135 1.00 0.00 H new ATOM 0 HA ASP A 7 4.279 0.946 8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.857 -0.642 9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.274 -1.353 8.049 1.00 0.00 H new ATOM 107 N SER A 8 6.408 1.947 9.870 1.00 0.00 N ATOM 108 CA SER A 8 7.227 3.039 10.471 1.00 0.00 C ATOM 109 C SER A 8 8.594 3.123 9.787 1.00 0.00 C ATOM 110 O SER A 8 9.264 4.135 9.842 1.00 0.00 O ATOM 111 CB SER A 8 7.386 2.648 11.939 1.00 0.00 C ATOM 112 OG SER A 8 7.646 1.253 12.027 1.00 0.00 O ATOM 0 H SER A 8 6.098 1.228 10.524 1.00 0.00 H new ATOM 0 HA SER A 8 6.758 4.016 10.354 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.202 3.211 12.391 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.481 2.897 12.494 1.00 0.00 H new ATOM 0 HG SER A 8 7.750 0.998 12.968 1.00 0.00 H new ATOM 118 N LYS A 9 9.016 2.069 9.145 1.00 0.00 N ATOM 119 CA LYS A 9 10.341 2.095 8.462 1.00 0.00 C ATOM 120 C LYS A 9 10.171 2.457 6.985 1.00 0.00 C ATOM 121 O LYS A 9 11.125 2.758 6.297 1.00 0.00 O ATOM 122 CB LYS A 9 10.889 0.675 8.606 1.00 0.00 C ATOM 123 CG LYS A 9 12.418 0.712 8.565 1.00 0.00 C ATOM 124 CD LYS A 9 12.967 0.744 9.992 1.00 0.00 C ATOM 125 CE LYS A 9 13.672 -0.580 10.298 1.00 0.00 C ATOM 126 NZ LYS A 9 13.412 -0.842 11.744 1.00 0.00 N ATOM 0 H LYS A 9 8.502 1.192 9.063 1.00 0.00 H new ATOM 0 HA LYS A 9 11.012 2.837 8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.550 0.236 9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.508 0.044 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.799 -0.162 8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.756 1.590 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.664 1.574 10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.156 0.909 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.282 -1.386 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.741 -0.512 10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.867 -1.735 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.801 -0.063 12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.387 -0.911 11.906 1.00 0.00 H new ATOM 140 N GLY A 10 8.963 2.429 6.493 1.00 0.00 N ATOM 141 CA GLY A 10 8.737 2.771 5.061 1.00 0.00 C ATOM 142 C GLY A 10 8.761 1.491 4.224 1.00 0.00 C ATOM 143 O GLY A 10 8.907 1.528 3.019 1.00 0.00 O ATOM 0 H GLY A 10 8.124 2.185 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.779 3.278 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.507 3.460 4.714 1.00 0.00 H new ATOM 147 N CYS A 11 8.616 0.357 4.855 1.00 0.00 N ATOM 148 CA CYS A 11 8.628 -0.927 4.097 1.00 0.00 C ATOM 149 C CYS A 11 7.235 -1.221 3.534 1.00 0.00 C ATOM 150 O CYS A 11 6.233 -1.024 4.195 1.00 0.00 O ATOM 151 CB CYS A 11 9.031 -1.986 5.124 1.00 0.00 C ATOM 152 SG CYS A 11 10.824 -1.940 5.364 1.00 0.00 S ATOM 0 H CYS A 11 8.490 0.264 5.863 1.00 0.00 H new ATOM 0 HA CYS A 11 9.312 -0.903 3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.522 -1.803 6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.724 -2.975 4.783 1.00 0.00 H new ATOM 157 N LYS A 12 7.166 -1.689 2.316 1.00 0.00 N ATOM 158 CA LYS A 12 5.840 -1.995 1.701 1.00 0.00 C ATOM 159 C LYS A 12 5.085 -3.022 2.549 1.00 0.00 C ATOM 160 O LYS A 12 5.674 -3.898 3.151 1.00 0.00 O ATOM 161 CB LYS A 12 6.166 -2.577 0.325 1.00 0.00 C ATOM 162 CG LYS A 12 6.875 -1.519 -0.522 1.00 0.00 C ATOM 163 CD LYS A 12 6.349 -1.581 -1.957 1.00 0.00 C ATOM 164 CE LYS A 12 7.446 -1.131 -2.925 1.00 0.00 C ATOM 165 NZ LYS A 12 7.502 -2.198 -3.962 1.00 0.00 N ATOM 0 H LYS A 12 7.972 -1.873 1.719 1.00 0.00 H new ATOM 0 HA LYS A 12 5.205 -1.111 1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.800 -3.457 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.251 -2.901 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.704 -0.527 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.952 -1.689 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.033 -2.597 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.472 -0.942 -2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.211 -0.163 -3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.404 -1.025 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.232 -1.962 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.734 -3.107 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.579 -2.272 -4.435 1.00 0.00 H new ATOM 179 N LEU A 13 3.786 -2.920 2.600 1.00 0.00 N ATOM 180 CA LEU A 13 2.994 -3.891 3.409 1.00 0.00 C ATOM 181 C LEU A 13 2.625 -5.113 2.565 1.00 0.00 C ATOM 182 O LEU A 13 1.857 -5.022 1.628 1.00 0.00 O ATOM 183 CB LEU A 13 1.737 -3.127 3.825 1.00 0.00 C ATOM 184 CG LEU A 13 0.704 -4.108 4.382 1.00 0.00 C ATOM 185 CD1 LEU A 13 1.306 -4.860 5.571 1.00 0.00 C ATOM 186 CD2 LEU A 13 -0.533 -3.336 4.844 1.00 0.00 C ATOM 0 H LEU A 13 3.238 -2.208 2.117 1.00 0.00 H new ATOM 0 HA LEU A 13 3.552 -4.260 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.986 -2.379 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.323 -2.594 2.969 1.00 0.00 H new ATOM 0 HG LEU A 13 0.422 -4.819 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.571 -5.560 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.190 -5.409 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.587 -4.148 6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.270 -4.034 5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.250 -2.626 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.962 -2.797 3.999 1.00 0.00 H new ATOM 198 N SER A 14 3.163 -6.258 2.893 1.00 0.00 N ATOM 199 CA SER A 14 2.838 -7.485 2.111 1.00 0.00 C ATOM 200 C SER A 14 1.330 -7.745 2.145 1.00 0.00 C ATOM 201 O SER A 14 0.697 -7.646 3.178 1.00 0.00 O ATOM 202 CB SER A 14 3.592 -8.615 2.810 1.00 0.00 C ATOM 203 OG SER A 14 4.990 -8.397 2.681 1.00 0.00 O ATOM 0 H SER A 14 3.812 -6.396 3.667 1.00 0.00 H new ATOM 0 HA SER A 14 3.124 -7.395 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.314 -8.656 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.320 -9.575 2.371 1.00 0.00 H new ATOM 0 HG SER A 14 5.477 -9.120 3.130 1.00 0.00 H new ATOM 209 N CYS A 15 0.749 -8.072 1.025 1.00 0.00 N ATOM 210 CA CYS A 15 -0.718 -8.333 0.997 1.00 0.00 C ATOM 211 C CYS A 15 -1.000 -9.728 0.433 1.00 0.00 C ATOM 212 O CYS A 15 -0.382 -10.161 -0.519 1.00 0.00 O ATOM 213 CB CYS A 15 -1.288 -7.261 0.069 1.00 0.00 C ATOM 214 SG CYS A 15 -0.734 -7.578 -1.624 1.00 0.00 S ATOM 0 H CYS A 15 1.225 -8.170 0.128 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.162 -8.297 1.992 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.377 -7.266 0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.960 -6.273 0.392 1.00 0.00 H new ATOM 219 N VAL A 16 -1.931 -10.434 1.013 1.00 0.00 N ATOM 220 CA VAL A 16 -2.255 -11.798 0.506 1.00 0.00 C ATOM 221 C VAL A 16 -3.767 -11.947 0.300 1.00 0.00 C ATOM 222 O VAL A 16 -4.231 -12.902 -0.291 1.00 0.00 O ATOM 223 CB VAL A 16 -1.763 -12.753 1.592 1.00 0.00 C ATOM 224 CG1 VAL A 16 -2.470 -12.439 2.911 1.00 0.00 C ATOM 225 CG2 VAL A 16 -2.072 -14.194 1.178 1.00 0.00 C ATOM 0 H VAL A 16 -2.481 -10.126 1.815 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.786 -12.000 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.687 -12.632 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.117 -13.122 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.251 -11.413 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.546 -12.559 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.722 -14.878 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.148 -14.313 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.567 -14.419 0.239 1.00 0.00 H new ATOM 235 N ALA A 17 -4.540 -11.009 0.779 1.00 0.00 N ATOM 236 CA ALA A 17 -6.019 -11.095 0.607 1.00 0.00 C ATOM 237 C ALA A 17 -6.584 -9.717 0.251 1.00 0.00 C ATOM 238 O ALA A 17 -6.462 -8.772 1.004 1.00 0.00 O ATOM 239 CB ALA A 17 -6.548 -11.560 1.964 1.00 0.00 C ATOM 0 H ALA A 17 -4.210 -10.186 1.283 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.307 -11.775 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.634 -11.648 1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.115 -12.529 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.274 -10.834 2.730 1.00 0.00 H new ATOM 245 N ASN A 18 -7.196 -9.595 -0.896 1.00 0.00 N ATOM 246 CA ASN A 18 -7.763 -8.277 -1.309 1.00 0.00 C ATOM 247 C ASN A 18 -8.626 -7.683 -0.191 1.00 0.00 C ATOM 248 O ASN A 18 -8.575 -6.500 0.080 1.00 0.00 O ATOM 249 CB ASN A 18 -8.620 -8.586 -2.537 1.00 0.00 C ATOM 250 CG ASN A 18 -7.715 -8.975 -3.707 1.00 0.00 C ATOM 251 OD1 ASN A 18 -6.704 -8.344 -3.945 1.00 0.00 O ATOM 252 ND2 ASN A 18 -8.037 -9.995 -4.454 1.00 0.00 N ATOM 0 H ASN A 18 -7.328 -10.352 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.983 -7.546 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.313 -9.397 -2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.221 -7.716 -2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.440 -10.262 -5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.885 -10.525 -4.255 1.00 0.00 H new ATOM 259 N ASN A 19 -9.424 -8.490 0.453 1.00 0.00 N ATOM 260 CA ASN A 19 -10.295 -7.963 1.545 1.00 0.00 C ATOM 261 C ASN A 19 -9.452 -7.266 2.617 1.00 0.00 C ATOM 262 O ASN A 19 -9.921 -6.387 3.312 1.00 0.00 O ATOM 263 CB ASN A 19 -10.992 -9.194 2.127 1.00 0.00 C ATOM 264 CG ASN A 19 -9.944 -10.189 2.632 1.00 0.00 C ATOM 265 OD1 ASN A 19 -9.065 -9.833 3.392 1.00 0.00 O ATOM 266 ND2 ASN A 19 -10.002 -11.433 2.241 1.00 0.00 N ATOM 0 H ASN A 19 -9.511 -9.490 0.272 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.008 -7.224 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.651 -8.899 2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.617 -9.663 1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.310 -12.105 2.573 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.739 -11.733 1.603 1.00 0.00 H new ATOM 273 N TYR A 20 -8.213 -7.652 2.758 1.00 0.00 N ATOM 274 CA TYR A 20 -7.346 -7.010 3.789 1.00 0.00 C ATOM 275 C TYR A 20 -6.968 -5.592 3.354 1.00 0.00 C ATOM 276 O TYR A 20 -7.291 -4.623 4.012 1.00 0.00 O ATOM 277 CB TYR A 20 -6.104 -7.898 3.872 1.00 0.00 C ATOM 278 CG TYR A 20 -5.016 -7.181 4.638 1.00 0.00 C ATOM 279 CD1 TYR A 20 -5.351 -6.220 5.602 1.00 0.00 C ATOM 280 CD2 TYR A 20 -3.673 -7.478 4.383 1.00 0.00 C ATOM 281 CE1 TYR A 20 -4.340 -5.558 6.310 1.00 0.00 C ATOM 282 CE2 TYR A 20 -2.662 -6.816 5.091 1.00 0.00 C ATOM 283 CZ TYR A 20 -2.996 -5.857 6.054 1.00 0.00 C ATOM 284 OH TYR A 20 -2.000 -5.205 6.753 1.00 0.00 O ATOM 0 H TYR A 20 -7.764 -8.382 2.206 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.847 -6.921 4.753 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.350 -8.839 4.365 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.754 -8.145 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.388 -5.990 5.799 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.416 -8.218 3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.597 -4.817 7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.625 -7.045 4.894 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.371 -5.863 7.117 1.00 0.00 H new ATOM 294 N CYS A 21 -6.291 -5.463 2.247 1.00 0.00 N ATOM 295 CA CYS A 21 -5.899 -4.108 1.767 1.00 0.00 C ATOM 296 C CYS A 21 -7.149 -3.287 1.445 1.00 0.00 C ATOM 297 O CYS A 21 -7.158 -2.077 1.553 1.00 0.00 O ATOM 298 CB CYS A 21 -5.088 -4.358 0.498 1.00 0.00 C ATOM 299 SG CYS A 21 -3.395 -4.790 0.955 1.00 0.00 S ATOM 0 H CYS A 21 -5.992 -6.237 1.654 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.330 -3.552 2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.538 -5.163 -0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.092 -3.469 -0.132 1.00 0.00 H new ATOM 304 N ASP A 22 -8.203 -3.942 1.044 1.00 0.00 N ATOM 305 CA ASP A 22 -9.456 -3.209 0.707 1.00 0.00 C ATOM 306 C ASP A 22 -9.988 -2.459 1.931 1.00 0.00 C ATOM 307 O ASP A 22 -10.051 -1.245 1.946 1.00 0.00 O ATOM 308 CB ASP A 22 -10.441 -4.295 0.274 1.00 0.00 C ATOM 309 CG ASP A 22 -11.775 -3.652 -0.105 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.588 -3.455 0.783 1.00 0.00 O ATOM 311 OD2 ASP A 22 -11.960 -3.367 -1.276 1.00 0.00 O ATOM 0 H ASP A 22 -8.251 -4.955 0.935 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.298 -2.462 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.038 -4.849 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.587 -5.011 1.082 1.00 0.00 H new ATOM 316 N ASN A 23 -10.376 -3.168 2.955 1.00 0.00 N ATOM 317 CA ASN A 23 -10.908 -2.487 4.171 1.00 0.00 C ATOM 318 C ASN A 23 -9.870 -1.510 4.733 1.00 0.00 C ATOM 319 O ASN A 23 -10.201 -0.428 5.177 1.00 0.00 O ATOM 320 CB ASN A 23 -11.184 -3.611 5.169 1.00 0.00 C ATOM 321 CG ASN A 23 -11.953 -3.050 6.367 1.00 0.00 C ATOM 322 OD1 ASN A 23 -11.402 -2.322 7.169 1.00 0.00 O ATOM 323 ND2 ASN A 23 -13.210 -3.359 6.523 1.00 0.00 N ATOM 0 H ASN A 23 -10.348 -4.186 3.003 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.804 -1.905 3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.761 -4.403 4.691 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.246 -4.056 5.501 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.731 -2.990 7.318 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.672 -3.970 5.850 1.00 0.00 H new ATOM 330 N GLN A 24 -8.619 -1.880 4.721 1.00 0.00 N ATOM 331 CA GLN A 24 -7.568 -0.968 5.259 1.00 0.00 C ATOM 332 C GLN A 24 -7.493 0.310 4.419 1.00 0.00 C ATOM 333 O GLN A 24 -7.753 1.396 4.901 1.00 0.00 O ATOM 334 CB GLN A 24 -6.263 -1.756 5.156 1.00 0.00 C ATOM 335 CG GLN A 24 -5.169 -1.031 5.942 1.00 0.00 C ATOM 336 CD GLN A 24 -5.372 -1.270 7.440 1.00 0.00 C ATOM 337 OE1 GLN A 24 -5.790 -2.336 7.845 1.00 0.00 O ATOM 338 NE2 GLN A 24 -5.094 -0.315 8.285 1.00 0.00 N ATOM 0 H GLN A 24 -8.279 -2.772 4.363 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.776 -0.661 6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.402 -2.763 5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.969 -1.859 4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.187 -1.391 5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.199 0.037 5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.743 0.580 7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.228 -0.464 9.285 1.00 0.00 H new ATOM 347 N CYS A 25 -7.139 0.193 3.167 1.00 0.00 N ATOM 348 CA CYS A 25 -7.051 1.406 2.303 1.00 0.00 C ATOM 349 C CYS A 25 -8.251 2.317 2.565 1.00 0.00 C ATOM 350 O CYS A 25 -8.102 3.488 2.851 1.00 0.00 O ATOM 351 CB CYS A 25 -7.077 0.880 0.867 1.00 0.00 C ATOM 352 SG CYS A 25 -5.575 -0.078 0.545 1.00 0.00 S ATOM 0 H CYS A 25 -6.908 -0.687 2.706 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.153 1.992 2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.958 0.257 0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.148 1.711 0.166 1.00 0.00 H new ATOM 357 N LYS A 26 -9.440 1.786 2.482 1.00 0.00 N ATOM 358 CA LYS A 26 -10.644 2.624 2.740 1.00 0.00 C ATOM 359 C LYS A 26 -10.423 3.454 4.005 1.00 0.00 C ATOM 360 O LYS A 26 -10.592 4.657 4.009 1.00 0.00 O ATOM 361 CB LYS A 26 -11.788 1.629 2.941 1.00 0.00 C ATOM 362 CG LYS A 26 -13.127 2.340 2.737 1.00 0.00 C ATOM 363 CD LYS A 26 -13.769 1.854 1.436 1.00 0.00 C ATOM 364 CE LYS A 26 -15.201 2.385 1.340 1.00 0.00 C ATOM 365 NZ LYS A 26 -15.062 3.785 0.851 1.00 0.00 N ATOM 0 H LYS A 26 -9.629 0.812 2.248 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.856 3.318 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.693 0.802 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.740 1.202 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.789 2.140 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.976 3.419 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.186 2.196 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.772 0.764 1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.799 1.785 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.699 2.353 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.679 4.410 1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.074 4.092 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.336 3.831 -0.151 1.00 0.00 H new ATOM 379 N MET A 27 -10.032 2.819 5.076 1.00 0.00 N ATOM 380 CA MET A 27 -9.784 3.570 6.338 1.00 0.00 C ATOM 381 C MET A 27 -8.714 4.635 6.097 1.00 0.00 C ATOM 382 O MET A 27 -8.610 5.603 6.823 1.00 0.00 O ATOM 383 CB MET A 27 -9.285 2.521 7.333 1.00 0.00 C ATOM 384 CG MET A 27 -10.478 1.897 8.058 1.00 0.00 C ATOM 385 SD MET A 27 -9.979 1.410 9.728 1.00 0.00 S ATOM 386 CE MET A 27 -9.651 -0.332 9.364 1.00 0.00 C ATOM 0 H MET A 27 -9.874 1.813 5.131 1.00 0.00 H new ATOM 0 HA MET A 27 -10.674 4.081 6.705 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.719 1.749 6.811 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.608 2.981 8.053 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.302 2.609 8.106 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.839 1.029 7.507 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.222 -0.813 10.243 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.583 -0.830 9.097 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.950 -0.404 8.533 1.00 0.00 H new ATOM 396 N LYS A 28 -7.920 4.460 5.076 1.00 0.00 N ATOM 397 CA LYS A 28 -6.855 5.460 4.775 1.00 0.00 C ATOM 398 C LYS A 28 -7.357 6.461 3.731 1.00 0.00 C ATOM 399 O LYS A 28 -6.607 6.946 2.908 1.00 0.00 O ATOM 400 CB LYS A 28 -5.690 4.643 4.218 1.00 0.00 C ATOM 401 CG LYS A 28 -5.138 3.733 5.315 1.00 0.00 C ATOM 402 CD LYS A 28 -3.611 3.701 5.233 1.00 0.00 C ATOM 403 CE LYS A 28 -3.038 3.271 6.585 1.00 0.00 C ATOM 404 NZ LYS A 28 -2.078 4.347 6.955 1.00 0.00 N ATOM 0 H LYS A 28 -7.963 3.667 4.436 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.564 6.034 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.023 4.046 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.907 5.308 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.452 4.094 6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.540 2.726 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.292 3.009 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.230 4.685 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.824 3.169 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.539 2.304 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.643 4.124 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.337 4.416 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.582 5.254 7.023 1.00 0.00 H new ATOM 418 N LYS A 29 -8.622 6.778 3.766 1.00 0.00 N ATOM 419 CA LYS A 29 -9.181 7.750 2.792 1.00 0.00 C ATOM 420 C LYS A 29 -9.005 7.253 1.354 1.00 0.00 C ATOM 421 O LYS A 29 -9.155 8.003 0.410 1.00 0.00 O ATOM 422 CB LYS A 29 -8.382 9.025 3.022 1.00 0.00 C ATOM 423 CG LYS A 29 -9.150 10.202 2.435 1.00 0.00 C ATOM 424 CD LYS A 29 -9.635 11.114 3.562 1.00 0.00 C ATOM 425 CE LYS A 29 -10.493 10.306 4.537 1.00 0.00 C ATOM 426 NZ LYS A 29 -10.941 11.292 5.560 1.00 0.00 N ATOM 0 H LYS A 29 -9.295 6.401 4.433 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.252 7.899 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.215 9.178 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.401 8.944 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.511 10.761 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.999 9.841 1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.783 11.549 4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.213 11.942 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.343 9.849 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.920 9.498 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.536 10.814 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.111 11.706 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.489 12.046 5.099 1.00 0.00 H new ATOM 440 N ALA A 30 -8.696 5.999 1.173 1.00 0.00 N ATOM 441 CA ALA A 30 -8.523 5.475 -0.213 1.00 0.00 C ATOM 442 C ALA A 30 -9.812 4.796 -0.680 1.00 0.00 C ATOM 443 O ALA A 30 -10.627 4.374 0.116 1.00 0.00 O ATOM 444 CB ALA A 30 -7.385 4.459 -0.121 1.00 0.00 C ATOM 0 H ALA A 30 -8.556 5.317 1.919 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.299 6.267 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.200 4.030 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.482 4.955 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.660 3.666 0.574 1.00 0.00 H new ATOM 450 N SER A 31 -10.002 4.685 -1.965 1.00 0.00 N ATOM 451 CA SER A 31 -11.237 4.030 -2.482 1.00 0.00 C ATOM 452 C SER A 31 -10.873 2.759 -3.252 1.00 0.00 C ATOM 453 O SER A 31 -11.682 1.867 -3.416 1.00 0.00 O ATOM 454 CB SER A 31 -11.876 5.059 -3.415 1.00 0.00 C ATOM 455 OG SER A 31 -12.610 4.382 -4.426 1.00 0.00 O ATOM 0 H SER A 31 -9.356 5.019 -2.680 1.00 0.00 H new ATOM 0 HA SER A 31 -11.915 3.736 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.535 5.719 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.107 5.686 -3.866 1.00 0.00 H new ATOM 0 HG SER A 31 -13.023 5.038 -5.026 1.00 0.00 H new ATOM 461 N GLY A 32 -9.659 2.668 -3.720 1.00 0.00 N ATOM 462 CA GLY A 32 -9.237 1.454 -4.474 1.00 0.00 C ATOM 463 C GLY A 32 -8.119 0.746 -3.708 1.00 0.00 C ATOM 464 O GLY A 32 -6.950 0.923 -3.991 1.00 0.00 O ATOM 0 H GLY A 32 -8.940 3.383 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.085 0.782 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.892 1.732 -5.470 1.00 0.00 H new ATOM 468 N GLY A 33 -8.466 -0.052 -2.736 1.00 0.00 N ATOM 469 CA GLY A 33 -7.421 -0.766 -1.951 1.00 0.00 C ATOM 470 C GLY A 33 -7.504 -2.266 -2.232 1.00 0.00 C ATOM 471 O GLY A 33 -8.526 -2.890 -2.031 1.00 0.00 O ATOM 0 H GLY A 33 -9.427 -0.240 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.433 -0.390 -2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.559 -0.577 -0.886 1.00 0.00 H new ATOM 475 N HIS A 34 -6.434 -2.849 -2.695 1.00 0.00 N ATOM 476 CA HIS A 34 -6.446 -4.309 -2.988 1.00 0.00 C ATOM 477 C HIS A 34 -5.015 -4.850 -3.003 1.00 0.00 C ATOM 478 O HIS A 34 -4.059 -4.102 -3.053 1.00 0.00 O ATOM 479 CB HIS A 34 -7.088 -4.430 -4.370 1.00 0.00 C ATOM 480 CG HIS A 34 -6.247 -3.705 -5.384 1.00 0.00 C ATOM 481 ND1 HIS A 34 -6.660 -2.521 -5.975 1.00 0.00 N ATOM 482 CD2 HIS A 34 -5.017 -3.986 -5.926 1.00 0.00 C ATOM 483 CE1 HIS A 34 -5.694 -2.136 -6.829 1.00 0.00 C ATOM 484 NE2 HIS A 34 -4.670 -2.994 -6.838 1.00 0.00 N ATOM 0 H HIS A 34 -5.550 -2.376 -2.884 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.993 -4.881 -2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.184 -5.480 -4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.094 -4.012 -4.352 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.411 -4.846 -5.682 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.741 -1.242 -7.434 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.817 -2.935 -7.394 1.00 0.00 H new ATOM 492 N CYS A 35 -4.858 -6.143 -2.954 1.00 0.00 N ATOM 493 CA CYS A 35 -3.487 -6.725 -2.960 1.00 0.00 C ATOM 494 C CYS A 35 -2.988 -6.891 -4.399 1.00 0.00 C ATOM 495 O CYS A 35 -3.418 -7.773 -5.116 1.00 0.00 O ATOM 496 CB CYS A 35 -3.634 -8.087 -2.284 1.00 0.00 C ATOM 497 SG CYS A 35 -2.043 -8.947 -2.323 1.00 0.00 S ATOM 0 H CYS A 35 -5.618 -6.821 -2.910 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.766 -6.089 -2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.967 -7.961 -1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.393 -8.679 -2.794 1.00 0.00 H new ATOM 502 N TYR A 36 -2.083 -6.053 -4.826 1.00 0.00 N ATOM 503 CA TYR A 36 -1.557 -6.167 -6.217 1.00 0.00 C ATOM 504 C TYR A 36 -0.047 -6.420 -6.185 1.00 0.00 C ATOM 505 O TYR A 36 0.673 -5.833 -5.403 1.00 0.00 O ATOM 506 CB TYR A 36 -1.865 -4.820 -6.871 1.00 0.00 C ATOM 507 CG TYR A 36 -2.759 -5.034 -8.070 1.00 0.00 C ATOM 508 CD1 TYR A 36 -3.919 -5.808 -7.950 1.00 0.00 C ATOM 509 CD2 TYR A 36 -2.426 -4.459 -9.303 1.00 0.00 C ATOM 510 CE1 TYR A 36 -4.747 -6.006 -9.062 1.00 0.00 C ATOM 511 CE2 TYR A 36 -3.254 -4.657 -10.415 1.00 0.00 C ATOM 512 CZ TYR A 36 -4.415 -5.430 -10.294 1.00 0.00 C ATOM 513 OH TYR A 36 -5.231 -5.626 -11.390 1.00 0.00 O ATOM 0 H TYR A 36 -1.685 -5.294 -4.272 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.008 -6.994 -6.766 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.352 -4.159 -6.154 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.939 -4.332 -7.177 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.176 -6.253 -7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.530 -3.863 -9.396 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.642 -6.603 -8.969 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.997 -4.214 -11.366 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.857 -5.157 -12.165 1.00 0.00 H new ATOM 523 N ALA A 37 0.438 -7.294 -7.025 1.00 0.00 N ATOM 524 CA ALA A 37 1.901 -7.584 -7.032 1.00 0.00 C ATOM 525 C ALA A 37 2.348 -8.043 -5.643 1.00 0.00 C ATOM 526 O ALA A 37 3.494 -7.892 -5.267 1.00 0.00 O ATOM 527 CB ALA A 37 2.569 -6.259 -7.398 1.00 0.00 C ATOM 0 H ALA A 37 -0.113 -7.818 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 37 2.163 -8.377 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.651 -6.392 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.220 -5.934 -8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.313 -5.505 -6.654 1.00 0.00 H new ATOM 533 N MET A 38 1.451 -8.600 -4.876 1.00 0.00 N ATOM 534 CA MET A 38 1.818 -9.068 -3.506 1.00 0.00 C ATOM 535 C MET A 38 2.093 -7.868 -2.596 1.00 0.00 C ATOM 536 O MET A 38 2.624 -8.008 -1.512 1.00 0.00 O ATOM 537 CB MET A 38 3.085 -9.905 -3.692 1.00 0.00 C ATOM 538 CG MET A 38 2.866 -11.303 -3.110 1.00 0.00 C ATOM 539 SD MET A 38 3.278 -11.294 -1.347 1.00 0.00 S ATOM 540 CE MET A 38 3.378 -13.087 -1.123 1.00 0.00 C ATOM 0 H MET A 38 0.477 -8.752 -5.138 1.00 0.00 H new ATOM 0 HA MET A 38 1.019 -9.645 -3.040 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.334 -9.976 -4.751 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.928 -9.422 -3.198 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.829 -11.609 -3.251 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.486 -12.029 -3.636 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.627 -13.311 -0.086 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.418 -13.539 -1.372 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.150 -13.493 -1.777 1.00 0.00 H new ATOM 550 N SER A 39 1.733 -6.691 -3.026 1.00 0.00 N ATOM 551 CA SER A 39 1.969 -5.485 -2.183 1.00 0.00 C ATOM 552 C SER A 39 0.662 -4.712 -2.001 1.00 0.00 C ATOM 553 O SER A 39 -0.088 -4.515 -2.937 1.00 0.00 O ATOM 554 CB SER A 39 2.985 -4.650 -2.960 1.00 0.00 C ATOM 555 OG SER A 39 4.255 -5.286 -2.907 1.00 0.00 O ATOM 0 H SER A 39 1.285 -6.512 -3.925 1.00 0.00 H new ATOM 0 HA SER A 39 2.332 -5.738 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.665 -4.538 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.049 -3.648 -2.536 1.00 0.00 H new ATOM 0 HG SER A 39 4.909 -4.753 -3.406 1.00 0.00 H new ATOM 561 N CYS A 40 0.377 -4.271 -0.807 1.00 0.00 N ATOM 562 CA CYS A 40 -0.887 -3.514 -0.584 1.00 0.00 C ATOM 563 C CYS A 40 -0.905 -2.256 -1.457 1.00 0.00 C ATOM 564 O CYS A 40 0.088 -1.572 -1.593 1.00 0.00 O ATOM 565 CB CYS A 40 -0.875 -3.151 0.899 1.00 0.00 C ATOM 566 SG CYS A 40 -2.574 -3.028 1.499 1.00 0.00 S ATOM 0 H CYS A 40 0.961 -4.401 0.019 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.773 -4.092 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.331 -3.907 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.355 -2.205 1.049 1.00 0.00 H new ATOM 571 N TYR A 41 -2.023 -1.952 -2.059 1.00 0.00 N ATOM 572 CA TYR A 41 -2.090 -0.744 -2.933 1.00 0.00 C ATOM 573 C TYR A 41 -3.430 -0.025 -2.758 1.00 0.00 C ATOM 574 O TYR A 41 -4.466 -0.523 -3.150 1.00 0.00 O ATOM 575 CB TYR A 41 -1.959 -1.291 -4.354 1.00 0.00 C ATOM 576 CG TYR A 41 -1.754 -0.153 -5.324 1.00 0.00 C ATOM 577 CD1 TYR A 41 -0.546 0.554 -5.329 1.00 0.00 C ATOM 578 CD2 TYR A 41 -2.770 0.192 -6.224 1.00 0.00 C ATOM 579 CE1 TYR A 41 -0.354 1.606 -6.233 1.00 0.00 C ATOM 580 CE2 TYR A 41 -2.577 1.243 -7.129 1.00 0.00 C ATOM 581 CZ TYR A 41 -1.369 1.950 -7.133 1.00 0.00 C ATOM 582 OH TYR A 41 -1.179 2.985 -8.026 1.00 0.00 O ATOM 0 H TYR A 41 -2.890 -2.485 -1.985 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.314 -0.017 -2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.120 -1.984 -4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.855 -1.852 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.238 0.288 -4.636 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.703 -0.353 -6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.578 2.152 -6.236 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.360 1.508 -7.824 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.981 3.091 -8.579 1.00 0.00 H new ATOM 592 N CYS A 42 -3.419 1.146 -2.182 1.00 0.00 N ATOM 593 CA CYS A 42 -4.694 1.895 -1.996 1.00 0.00 C ATOM 594 C CYS A 42 -4.832 2.968 -3.078 1.00 0.00 C ATOM 595 O CYS A 42 -3.855 3.438 -3.628 1.00 0.00 O ATOM 596 CB CYS A 42 -4.588 2.539 -0.613 1.00 0.00 C ATOM 597 SG CYS A 42 -4.089 1.290 0.599 1.00 0.00 S ATOM 0 H CYS A 42 -2.584 1.616 -1.833 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.567 1.247 -2.072 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.862 3.352 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.546 2.975 -0.329 1.00 0.00 H new ATOM 602 N GLU A 43 -6.038 3.359 -3.390 1.00 0.00 N ATOM 603 CA GLU A 43 -6.236 4.400 -4.438 1.00 0.00 C ATOM 604 C GLU A 43 -7.045 5.572 -3.878 1.00 0.00 C ATOM 605 O GLU A 43 -8.232 5.464 -3.646 1.00 0.00 O ATOM 606 CB GLU A 43 -7.015 3.698 -5.551 1.00 0.00 C ATOM 607 CG GLU A 43 -7.174 4.650 -6.739 1.00 0.00 C ATOM 608 CD GLU A 43 -8.079 4.007 -7.791 1.00 0.00 C ATOM 609 OE1 GLU A 43 -7.603 3.136 -8.500 1.00 0.00 O ATOM 610 OE2 GLU A 43 -9.233 4.396 -7.869 1.00 0.00 O ATOM 0 H GLU A 43 -6.894 3.003 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.291 4.809 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.491 2.794 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.994 3.389 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.601 5.596 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.199 4.875 -7.171 1.00 0.00 H new ATOM 617 N GLY A 44 -6.412 6.693 -3.662 1.00 0.00 N ATOM 618 CA GLY A 44 -7.150 7.869 -3.123 1.00 0.00 C ATOM 619 C GLY A 44 -6.549 8.291 -1.781 1.00 0.00 C ATOM 620 O GLY A 44 -7.162 9.009 -1.017 1.00 0.00 O ATOM 0 H GLY A 44 -5.418 6.844 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.099 8.697 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.204 7.621 -2.997 1.00 0.00 H new ATOM 624 N LEU A 45 -5.356 7.854 -1.486 1.00 0.00 N ATOM 625 CA LEU A 45 -4.725 8.239 -0.190 1.00 0.00 C ATOM 626 C LEU A 45 -4.525 9.757 -0.134 1.00 0.00 C ATOM 627 O LEU A 45 -4.510 10.419 -1.152 1.00 0.00 O ATOM 628 CB LEU A 45 -3.379 7.514 -0.169 1.00 0.00 C ATOM 629 CG LEU A 45 -3.609 6.021 0.069 1.00 0.00 C ATOM 630 CD1 LEU A 45 -2.300 5.261 -0.145 1.00 0.00 C ATOM 631 CD2 LEU A 45 -4.098 5.803 1.503 1.00 0.00 C ATOM 0 H LEU A 45 -4.792 7.249 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.341 7.968 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.857 7.667 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.744 7.925 0.616 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.359 5.653 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.465 4.197 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.952 5.416 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.548 5.628 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.262 4.739 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.348 6.171 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.032 6.343 1.655 1.00 0.00 H new ATOM 643 N PRO A 46 -4.381 10.255 1.064 1.00 0.00 N ATOM 644 CA PRO A 46 -4.185 11.712 1.267 1.00 0.00 C ATOM 645 C PRO A 46 -2.778 12.128 0.832 1.00 0.00 C ATOM 646 O PRO A 46 -1.902 11.305 0.656 1.00 0.00 O ATOM 647 CB PRO A 46 -4.363 11.890 2.772 1.00 0.00 C ATOM 648 CG PRO A 46 -4.032 10.556 3.361 1.00 0.00 C ATOM 649 CD PRO A 46 -4.388 9.516 2.331 1.00 0.00 C ATOM 0 HA PRO A 46 -4.875 12.323 0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.703 12.667 3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.383 12.187 3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.974 10.499 3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.591 10.393 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.665 8.700 2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.364 9.075 2.530 1.00 0.00 H new ATOM 657 N GLU A 47 -2.554 13.402 0.660 1.00 0.00 N ATOM 658 CA GLU A 47 -1.203 13.872 0.238 1.00 0.00 C ATOM 659 C GLU A 47 -0.203 13.710 1.388 1.00 0.00 C ATOM 660 O GLU A 47 0.982 13.918 1.225 1.00 0.00 O ATOM 661 CB GLU A 47 -1.392 15.350 -0.112 1.00 0.00 C ATOM 662 CG GLU A 47 -0.030 16.005 -0.354 1.00 0.00 C ATOM 663 CD GLU A 47 -0.218 17.507 -0.575 1.00 0.00 C ATOM 664 OE1 GLU A 47 -1.330 17.906 -0.881 1.00 0.00 O ATOM 665 OE2 GLU A 47 0.752 18.233 -0.435 1.00 0.00 O ATOM 0 H GLU A 47 -3.248 14.138 0.793 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.809 13.302 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.015 15.446 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.913 15.861 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.626 15.831 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.452 15.556 -1.223 1.00 0.00 H new ATOM 672 N ASN A 48 -0.670 13.340 2.551 1.00 0.00 N ATOM 673 CA ASN A 48 0.263 13.170 3.704 1.00 0.00 C ATOM 674 C ASN A 48 0.338 11.701 4.132 1.00 0.00 C ATOM 675 O ASN A 48 0.833 11.383 5.195 1.00 0.00 O ATOM 676 CB ASN A 48 -0.319 14.025 4.834 1.00 0.00 C ATOM 677 CG ASN A 48 -1.842 13.878 4.873 1.00 0.00 C ATOM 678 OD1 ASN A 48 -2.368 12.707 5.110 1.00 0.00 O flip ATOM 679 ND2 ASN A 48 -2.561 14.840 4.688 1.00 0.00 N flip ATOM 0 H ASN A 48 -1.652 13.149 2.752 1.00 0.00 H new ATOM 0 HA ASN A 48 1.277 13.474 3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.108 13.719 5.789 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.050 15.071 4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.151 15.755 4.503 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.575 14.732 4.718 1.00 0.00 H new ATOM 686 N ALA A 49 -0.141 10.802 3.316 1.00 0.00 N ATOM 687 CA ALA A 49 -0.083 9.362 3.690 1.00 0.00 C ATOM 688 C ALA A 49 1.340 8.832 3.508 1.00 0.00 C ATOM 689 O ALA A 49 2.124 9.376 2.755 1.00 0.00 O ATOM 690 CB ALA A 49 -1.041 8.661 2.729 1.00 0.00 C ATOM 0 H ALA A 49 -0.568 11.002 2.411 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.358 9.194 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.053 7.592 2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.045 9.068 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.710 8.822 1.703 1.00 0.00 H new ATOM 696 N LYS A 50 1.679 7.774 4.188 1.00 0.00 N ATOM 697 CA LYS A 50 3.052 7.212 4.049 1.00 0.00 C ATOM 698 C LYS A 50 3.040 6.042 3.063 1.00 0.00 C ATOM 699 O LYS A 50 2.507 4.986 3.345 1.00 0.00 O ATOM 700 CB LYS A 50 3.431 6.733 5.451 1.00 0.00 C ATOM 701 CG LYS A 50 4.952 6.609 5.553 1.00 0.00 C ATOM 702 CD LYS A 50 5.555 7.985 5.841 1.00 0.00 C ATOM 703 CE LYS A 50 7.046 7.836 6.150 1.00 0.00 C ATOM 704 NZ LYS A 50 7.121 6.740 7.155 1.00 0.00 N ATOM 0 H LYS A 50 1.067 7.274 4.833 1.00 0.00 H new ATOM 0 HA LYS A 50 3.764 7.944 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.062 7.435 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.962 5.771 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.219 5.910 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.359 6.209 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.415 8.642 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.043 8.449 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.613 7.588 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.462 8.763 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.995 6.837 7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.300 6.795 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.120 5.821 6.668 1.00 0.00 H new ATOM 718 N VAL A 51 3.619 6.222 1.907 1.00 0.00 N ATOM 719 CA VAL A 51 3.632 5.119 0.904 1.00 0.00 C ATOM 720 C VAL A 51 4.958 5.095 0.141 1.00 0.00 C ATOM 721 O VAL A 51 5.747 6.017 0.212 1.00 0.00 O ATOM 722 CB VAL A 51 2.483 5.439 -0.050 1.00 0.00 C ATOM 723 CG1 VAL A 51 1.152 5.321 0.692 1.00 0.00 C ATOM 724 CG2 VAL A 51 2.646 6.865 -0.583 1.00 0.00 C ATOM 0 H VAL A 51 4.082 7.082 1.614 1.00 0.00 H new ATOM 0 HA VAL A 51 3.522 4.142 1.375 1.00 0.00 H new ATOM 0 HB VAL A 51 2.496 4.735 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.333 5.550 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.035 4.306 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.137 6.023 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.827 7.095 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.634 7.568 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.594 6.949 -1.115 1.00 0.00 H new ATOM 734 N SER A 52 5.201 4.047 -0.597 1.00 0.00 N ATOM 735 CA SER A 52 6.467 3.954 -1.379 1.00 0.00 C ATOM 736 C SER A 52 6.267 4.543 -2.779 1.00 0.00 C ATOM 737 O SER A 52 5.221 4.396 -3.379 1.00 0.00 O ATOM 738 CB SER A 52 6.767 2.460 -1.467 1.00 0.00 C ATOM 739 OG SER A 52 7.488 2.197 -2.663 1.00 0.00 O ATOM 0 H SER A 52 4.575 3.248 -0.693 1.00 0.00 H new ATOM 0 HA SER A 52 7.282 4.508 -0.914 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.348 2.142 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.838 1.889 -1.455 1.00 0.00 H new ATOM 0 HG SER A 52 8.283 1.662 -2.455 1.00 0.00 H new ATOM 745 N ASP A 53 7.260 5.204 -3.308 1.00 0.00 N ATOM 746 CA ASP A 53 7.116 5.795 -4.671 1.00 0.00 C ATOM 747 C ASP A 53 8.021 5.061 -5.664 1.00 0.00 C ATOM 748 O ASP A 53 8.644 5.665 -6.514 1.00 0.00 O ATOM 749 CB ASP A 53 7.553 7.252 -4.523 1.00 0.00 C ATOM 750 CG ASP A 53 9.001 7.305 -4.035 1.00 0.00 C ATOM 751 OD1 ASP A 53 9.252 6.843 -2.934 1.00 0.00 O ATOM 752 OD2 ASP A 53 9.835 7.807 -4.771 1.00 0.00 O ATOM 0 H ASP A 53 8.162 5.361 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 53 6.097 5.713 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.461 7.769 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.902 7.768 -3.818 1.00 0.00 H new ATOM 757 N SER A 54 8.097 3.763 -5.562 1.00 0.00 N ATOM 758 CA SER A 54 8.962 2.992 -6.501 1.00 0.00 C ATOM 759 C SER A 54 8.436 1.563 -6.653 1.00 0.00 C ATOM 760 O SER A 54 8.183 0.877 -5.682 1.00 0.00 O ATOM 761 CB SER A 54 10.342 2.991 -5.849 1.00 0.00 C ATOM 762 OG SER A 54 10.339 2.093 -4.747 1.00 0.00 O ATOM 0 H SER A 54 7.599 3.203 -4.870 1.00 0.00 H new ATOM 0 HA SER A 54 8.982 3.428 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 54 11.099 2.693 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.599 3.996 -5.514 1.00 0.00 H new ATOM 0 HG SER A 54 9.585 1.473 -4.832 1.00 0.00 H new ATOM 768 N ALA A 55 8.265 1.109 -7.865 1.00 0.00 N ATOM 769 CA ALA A 55 7.751 -0.274 -8.078 1.00 0.00 C ATOM 770 C ALA A 55 8.893 -1.291 -7.990 1.00 0.00 C ATOM 771 O ALA A 55 8.710 -2.465 -8.246 1.00 0.00 O ATOM 772 CB ALA A 55 7.151 -0.264 -9.486 1.00 0.00 C ATOM 0 H ALA A 55 8.459 1.636 -8.717 1.00 0.00 H new ATOM 0 HA ALA A 55 7.018 -0.558 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.750 -1.251 -9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.350 0.474 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.925 -0.008 -10.209 1.00 0.00 H new ATOM 778 N THR A 56 10.070 -0.856 -7.630 1.00 0.00 N ATOM 779 CA THR A 56 11.212 -1.811 -7.530 1.00 0.00 C ATOM 780 C THR A 56 12.136 -1.422 -6.371 1.00 0.00 C ATOM 781 O THR A 56 13.208 -0.887 -6.573 1.00 0.00 O ATOM 782 CB THR A 56 11.950 -1.694 -8.866 1.00 0.00 C ATOM 783 OG1 THR A 56 12.213 -0.325 -9.143 1.00 0.00 O ATOM 784 CG2 THR A 56 11.089 -2.290 -9.981 1.00 0.00 C ATOM 0 H THR A 56 10.290 0.113 -7.402 1.00 0.00 H new ATOM 0 HA THR A 56 10.876 -2.830 -7.337 1.00 0.00 H new ATOM 0 HB THR A 56 12.892 -2.239 -8.810 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.753 0.057 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.616 -2.206 -10.932 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.892 -3.340 -9.767 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.145 -1.749 -10.040 1.00 0.00 H new ATOM 792 N ASN A 57 11.733 -1.692 -5.159 1.00 0.00 N ATOM 793 CA ASN A 57 12.595 -1.342 -3.994 1.00 0.00 C ATOM 794 C ASN A 57 12.204 -2.179 -2.771 1.00 0.00 C ATOM 795 O ASN A 57 11.085 -2.128 -2.301 1.00 0.00 O ATOM 796 CB ASN A 57 12.341 0.149 -3.744 1.00 0.00 C ATOM 797 CG ASN A 57 11.018 0.338 -2.996 1.00 0.00 C ATOM 798 OD1 ASN A 57 9.971 -0.042 -3.483 1.00 0.00 O ATOM 799 ND2 ASN A 57 11.022 0.914 -1.824 1.00 0.00 N ATOM 0 H ASN A 57 10.846 -2.139 -4.925 1.00 0.00 H new ATOM 0 HA ASN A 57 13.649 -1.544 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.160 0.573 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.312 0.685 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.147 1.045 -1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.901 1.233 -1.415 1.00 0.00 H new ATOM 806 N ILE A 58 13.120 -2.950 -2.252 1.00 0.00 N ATOM 807 CA ILE A 58 12.801 -3.786 -1.060 1.00 0.00 C ATOM 808 C ILE A 58 13.670 -3.360 0.125 1.00 0.00 C ATOM 809 O ILE A 58 14.805 -2.962 -0.039 1.00 0.00 O ATOM 810 CB ILE A 58 13.131 -5.219 -1.478 1.00 0.00 C ATOM 811 CG1 ILE A 58 12.039 -5.744 -2.413 1.00 0.00 C ATOM 812 CG2 ILE A 58 13.205 -6.108 -0.236 1.00 0.00 C ATOM 813 CD1 ILE A 58 12.635 -6.791 -3.355 1.00 0.00 C ATOM 0 H ILE A 58 14.074 -3.037 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 58 11.761 -3.684 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 58 14.090 -5.233 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.227 -6.182 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.612 -4.923 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 58 13.440 -7.130 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 58 13.982 -5.736 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.245 -6.092 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.858 -7.165 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 58 13.432 -6.338 -3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 58 13.041 -7.617 -2.771 1.00 0.00 H new ATOM 825 N CYS A 59 13.148 -3.442 1.317 1.00 0.00 N ATOM 826 CA CYS A 59 13.950 -3.041 2.509 1.00 0.00 C ATOM 827 C CYS A 59 14.314 -4.274 3.337 1.00 0.00 C ATOM 828 O CYS A 59 13.553 -5.217 3.433 1.00 0.00 O ATOM 829 CB CYS A 59 13.038 -2.109 3.306 1.00 0.00 C ATOM 830 SG CYS A 59 11.556 -3.014 3.818 1.00 0.00 S ATOM 0 H CYS A 59 12.203 -3.768 1.518 1.00 0.00 H new ATOM 0 HA CYS A 59 14.886 -2.555 2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.565 -1.727 4.180 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.760 -1.247 2.699 1.00 0.00 H new ATOM 835 N GLY A 60 15.472 -4.275 3.938 1.00 0.00 N ATOM 836 CA GLY A 60 15.884 -5.447 4.760 1.00 0.00 C ATOM 837 C GLY A 60 17.123 -5.085 5.582 1.00 0.00 C ATOM 838 O GLY A 60 17.013 -5.048 6.796 1.00 0.00 O ATOM 839 OXT GLY A 60 18.159 -4.850 4.982 1.00 0.00 O ATOM 0 H GLY A 60 16.151 -3.515 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.070 -5.745 5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.099 -6.299 4.115 1.00 0.00 H new TER 843 GLY A 60