USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 660 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 6 HIS : no HE2:sc= -8.77! C(o=-6.6!,f=-9.5!) USER MOD Set 1.2: A 89 TYR OH : rot -58:sc= 1.02 USER MOD Set 1.3: A 96 SER OG : rot 85:sc= 1.18 USER MOD Set 2.1: A 48 ASN : amide:sc= -4! K(o=-6.7!,f=-1.7) USER MOD Set 2.2: A 73 ASN : amide:sc= -3.96! C(o=-6.7!,f=-5.2!) USER MOD Set 2.3: A 76 LYS NZ :NH3+ 152:sc= 1.3 (180deg=1.18) USER MOD Set 3.1: A 36 TYR OH : rot 40:sc= 1.11 USER MOD Set 3.2: A 74 SER OG : rot 171:sc= 0.966 USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= 1.15 (180deg=0.782) USER MOD Single : A 11 THR OG1 : rot 116:sc= 1.19 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= -0.0099 (180deg=-0.108) USER MOD Single : A 17 ASN : amide:sc= -5.34! C(o=-5.3!,f=-2.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 1.66 (180deg=1.4) USER MOD Single : A 42 ASN : amide:sc= -0.0042 K(o=-0.0042,f=-4.6!) USER MOD Single : A 43 THR OG1 : rot 102:sc= -2.04! USER MOD Single : A 47 ASN : amide:sc= -2.19 X(o=-2.2,f=-2.4) USER MOD Single : A 49 ASN : amide:sc= -0.813 X(o=-0.81,f=-0.41) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.3!) USER MOD Single : A 56 ASN : amide:sc= -3.64 K(o=-3.6,f=-1.3) USER MOD Single : A 62 THR OG1 : rot -92:sc= 1.31 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 67 ASN : amide:sc= 0.0403 K(o=0.04,f=-1.1) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.12) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -6:sc= -0.737 USER MOD Single : A 87 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.8) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0029 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -76:sc= -0.831 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.167 -6.291 1.444 1.00 0.00 N ATOM 27 CA ASP A 3 14.184 -6.484 2.507 1.00 0.00 C ATOM 28 C ASP A 3 13.340 -5.226 2.704 1.00 0.00 C ATOM 29 O ASP A 3 13.820 -4.178 3.130 1.00 0.00 O ATOM 30 CB ASP A 3 14.879 -6.864 3.819 1.00 0.00 C ATOM 31 CG ASP A 3 16.145 -6.070 4.081 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.059 -4.860 4.353 1.00 0.00 O ATOM 33 OD2 ASP A 3 17.239 -6.670 4.031 1.00 0.00 O ATOM 0 HA ASP A 3 13.523 -7.299 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.186 -6.712 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.123 -7.926 3.798 1.00 0.00 H new ATOM 38 N PRO A 4 12.064 -5.325 2.333 1.00 0.00 N ATOM 39 CA PRO A 4 11.114 -4.205 2.325 1.00 0.00 C ATOM 40 C PRO A 4 10.961 -3.385 3.629 1.00 0.00 C ATOM 41 O PRO A 4 10.197 -2.434 3.641 1.00 0.00 O ATOM 42 CB PRO A 4 9.778 -4.848 1.954 1.00 0.00 C ATOM 43 CG PRO A 4 9.999 -6.320 1.918 1.00 0.00 C ATOM 44 CD PRO A 4 11.464 -6.554 1.786 1.00 0.00 C ATOM 0 HA PRO A 4 11.489 -3.454 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.010 -4.591 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.431 -4.486 0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.617 -6.787 2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.463 -6.767 1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.780 -7.436 2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.752 -6.712 0.747 1.00 0.00 H new ATOM 52 N LYS A 5 11.648 -3.726 4.719 1.00 0.00 N ATOM 53 CA LYS A 5 11.481 -2.967 5.980 1.00 0.00 C ATOM 54 C LYS A 5 12.206 -1.612 5.993 1.00 0.00 C ATOM 55 O LYS A 5 12.375 -1.013 7.053 1.00 0.00 O ATOM 56 CB LYS A 5 11.882 -3.785 7.217 1.00 0.00 C ATOM 57 CG LYS A 5 13.172 -4.590 7.099 1.00 0.00 C ATOM 58 CD LYS A 5 14.403 -3.708 6.956 1.00 0.00 C ATOM 59 CE LYS A 5 15.675 -4.491 7.234 1.00 0.00 C ATOM 60 NZ LYS A 5 16.879 -3.818 6.684 1.00 0.00 N ATOM 0 H LYS A 5 12.311 -4.500 4.767 1.00 0.00 H new ATOM 0 HA LYS A 5 10.412 -2.761 6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.979 -3.104 8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.069 -4.472 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.283 -5.222 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.104 -5.254 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.441 -3.293 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.333 -2.867 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.792 -4.620 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.588 -5.488 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.729 -4.190 7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.941 -3.998 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.811 -2.794 6.851 1.00 0.00 H new ATOM 74 N HIS A 6 12.637 -1.123 4.837 1.00 0.00 N ATOM 75 CA HIS A 6 13.421 0.120 4.779 1.00 0.00 C ATOM 76 C HIS A 6 12.561 1.393 4.901 1.00 0.00 C ATOM 77 O HIS A 6 13.030 2.483 4.581 1.00 0.00 O ATOM 78 CB HIS A 6 14.295 0.179 3.519 1.00 0.00 C ATOM 79 CG HIS A 6 13.667 -0.405 2.300 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.626 -1.757 2.042 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.025 0.186 1.281 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.978 -1.966 0.914 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.602 -0.806 0.428 1.00 0.00 N ATOM 0 H HIS A 6 12.463 -1.558 3.931 1.00 0.00 H new ATOM 0 HA HIS A 6 14.071 0.096 5.654 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.549 1.220 3.318 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.230 -0.345 3.717 1.00 0.00 H new ATOM 0 HD1 HIS A 6 14.033 -2.483 2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 6 12.869 1.247 1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.788 -2.930 0.465 1.00 0.00 H new ATOM 92 N VAL A 7 11.315 1.227 5.374 1.00 0.00 N ATOM 93 CA VAL A 7 10.399 2.329 5.748 1.00 0.00 C ATOM 94 C VAL A 7 10.391 3.517 4.762 1.00 0.00 C ATOM 95 O VAL A 7 10.660 3.350 3.579 1.00 0.00 O ATOM 96 CB VAL A 7 10.673 2.812 7.195 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.561 1.639 8.158 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.029 3.493 7.326 1.00 0.00 C ATOM 0 H VAL A 7 10.903 0.304 5.512 1.00 0.00 H new ATOM 0 HA VAL A 7 9.398 1.902 5.694 1.00 0.00 H new ATOM 0 HB VAL A 7 9.921 3.559 7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.754 1.983 9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.557 1.217 8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.291 0.876 7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.177 3.814 8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.816 2.792 7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.066 4.360 6.667 1.00 0.00 H new ATOM 108 N CYS A 8 10.002 4.697 5.250 1.00 0.00 N ATOM 109 CA CYS A 8 9.840 5.879 4.408 1.00 0.00 C ATOM 110 C CYS A 8 10.252 7.160 5.081 1.00 0.00 C ATOM 111 O CYS A 8 10.133 7.319 6.295 1.00 0.00 O ATOM 112 CB CYS A 8 8.374 6.047 4.041 1.00 0.00 C ATOM 113 SG CYS A 8 7.859 7.791 3.802 1.00 0.00 S ATOM 0 H CYS A 8 9.792 4.857 6.235 1.00 0.00 H new ATOM 0 HA CYS A 8 10.481 5.710 3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.174 5.491 3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.761 5.602 4.825 1.00 0.00 H new ATOM 118 N VAL A 9 10.722 8.068 4.240 1.00 0.00 N ATOM 119 CA VAL A 9 10.684 9.485 4.512 1.00 0.00 C ATOM 120 C VAL A 9 10.484 10.187 3.174 1.00 0.00 C ATOM 121 O VAL A 9 11.429 10.412 2.423 1.00 0.00 O ATOM 122 CB VAL A 9 12.022 9.917 5.121 1.00 0.00 C ATOM 123 CG1 VAL A 9 12.082 9.591 6.600 1.00 0.00 C ATOM 124 CG2 VAL A 9 13.127 9.184 4.392 1.00 0.00 C ATOM 0 H VAL A 9 11.144 7.833 3.342 1.00 0.00 H new ATOM 0 HA VAL A 9 9.884 9.734 5.209 1.00 0.00 H new ATOM 0 HB VAL A 9 12.136 10.996 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 9 13.043 9.909 7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.279 10.113 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.967 8.516 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 9 14.092 9.474 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.990 8.109 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.096 9.440 3.333 1.00 0.00 H new ATOM 134 N ASP A 10 9.250 10.515 2.869 1.00 0.00 N ATOM 135 CA ASP A 10 8.919 11.185 1.624 1.00 0.00 C ATOM 136 C ASP A 10 7.975 12.351 1.860 1.00 0.00 C ATOM 137 O ASP A 10 7.375 12.451 2.929 1.00 0.00 O ATOM 138 CB ASP A 10 8.324 10.171 0.644 1.00 0.00 C ATOM 139 CG ASP A 10 7.760 10.777 -0.634 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.494 11.503 -1.338 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.571 10.545 -0.931 1.00 0.00 O ATOM 0 H ASP A 10 8.448 10.328 3.471 1.00 0.00 H new ATOM 0 HA ASP A 10 9.829 11.599 1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.095 9.448 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.531 9.620 1.149 1.00 0.00 H new ATOM 146 N THR A 11 7.832 13.189 0.840 1.00 0.00 N ATOM 147 CA THR A 11 6.726 14.122 0.730 1.00 0.00 C ATOM 148 C THR A 11 6.611 15.121 1.896 1.00 0.00 C ATOM 149 O THR A 11 7.265 15.004 2.932 1.00 0.00 O ATOM 150 CB THR A 11 5.466 13.254 0.531 1.00 0.00 C ATOM 151 OG1 THR A 11 5.380 12.835 -0.836 1.00 0.00 O ATOM 152 CG2 THR A 11 4.177 13.933 0.923 1.00 0.00 C ATOM 0 H THR A 11 8.489 13.237 0.061 1.00 0.00 H new ATOM 0 HA THR A 11 6.881 14.791 -0.116 1.00 0.00 H new ATOM 0 HB THR A 11 5.582 12.402 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.454 11.859 -0.884 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.342 13.254 0.752 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.214 14.203 1.978 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.042 14.833 0.323 1.00 0.00 H new ATOM 160 N ARG A 12 5.804 16.146 1.666 1.00 0.00 N ATOM 161 CA ARG A 12 5.611 17.211 2.618 1.00 0.00 C ATOM 162 C ARG A 12 4.535 16.800 3.604 1.00 0.00 C ATOM 163 O ARG A 12 4.672 16.967 4.817 1.00 0.00 O ATOM 164 CB ARG A 12 5.198 18.488 1.904 1.00 0.00 C ATOM 165 CG ARG A 12 6.144 18.932 0.795 1.00 0.00 C ATOM 166 CD ARG A 12 5.989 18.106 -0.470 1.00 0.00 C ATOM 167 NE ARG A 12 6.703 18.688 -1.605 1.00 0.00 N ATOM 168 CZ ARG A 12 7.417 17.980 -2.482 1.00 0.00 C ATOM 169 NH1 ARG A 12 7.524 16.664 -2.354 1.00 0.00 N ATOM 170 NH2 ARG A 12 8.018 18.593 -3.492 1.00 0.00 N ATOM 0 H ARG A 12 5.265 16.256 0.807 1.00 0.00 H new ATOM 0 HA ARG A 12 6.545 17.398 3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.204 18.346 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.119 19.290 2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.960 19.981 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.172 18.859 1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.359 17.097 -0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.931 18.018 -0.716 1.00 0.00 H new ATOM 0 HE ARG A 12 6.652 19.698 -1.735 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.059 16.187 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.071 16.129 -3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.934 19.604 -3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.564 18.054 -4.164 1.00 0.00 H new ATOM 184 N ASP A 13 3.462 16.256 3.053 1.00 0.00 N ATOM 185 CA ASP A 13 2.375 15.697 3.847 1.00 0.00 C ATOM 186 C ASP A 13 1.650 14.619 3.052 1.00 0.00 C ATOM 187 O ASP A 13 0.845 14.921 2.171 1.00 0.00 O ATOM 188 CB ASP A 13 1.389 16.790 4.269 1.00 0.00 C ATOM 189 CG ASP A 13 0.307 16.269 5.198 1.00 0.00 C ATOM 190 OD1 ASP A 13 0.575 16.128 6.413 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.820 16.010 4.727 1.00 0.00 O ATOM 0 H ASP A 13 3.318 16.189 2.045 1.00 0.00 H new ATOM 0 HA ASP A 13 2.801 15.254 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.933 17.594 4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.925 17.219 3.381 1.00 0.00 H new ATOM 196 N ILE A 14 1.971 13.362 3.336 1.00 0.00 N ATOM 197 CA ILE A 14 1.317 12.236 2.677 1.00 0.00 C ATOM 198 C ILE A 14 -0.148 12.192 3.077 1.00 0.00 C ATOM 199 O ILE A 14 -0.477 12.409 4.244 1.00 0.00 O ATOM 200 CB ILE A 14 2.019 10.896 3.011 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.412 10.888 2.385 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.210 9.698 2.531 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.534 10.814 3.391 1.00 0.00 C ATOM 0 H ILE A 14 2.681 13.096 4.019 1.00 0.00 H new ATOM 0 HA ILE A 14 1.390 12.378 1.599 1.00 0.00 H new ATOM 0 HB ILE A 14 2.102 10.812 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.490 10.039 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.535 11.789 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.737 8.778 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.233 9.702 3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.081 9.756 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.491 10.813 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.484 11.677 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.438 9.899 3.976 1.00 0.00 H new ATOM 215 N PRO A 15 -1.039 11.929 2.103 1.00 0.00 N ATOM 216 CA PRO A 15 -2.493 11.991 2.293 1.00 0.00 C ATOM 217 C PRO A 15 -2.984 11.208 3.513 1.00 0.00 C ATOM 218 O PRO A 15 -2.314 10.283 3.975 1.00 0.00 O ATOM 219 CB PRO A 15 -3.024 11.376 1.004 1.00 0.00 C ATOM 220 CG PRO A 15 -1.986 11.704 -0.003 1.00 0.00 C ATOM 221 CD PRO A 15 -0.700 11.521 0.725 1.00 0.00 C ATOM 0 HA PRO A 15 -2.835 13.009 2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.159 10.299 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.992 11.795 0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.050 11.046 -0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.095 12.725 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.356 10.488 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.094 12.139 0.305 1.00 0.00 H new ATOM 229 N LYS A 16 -4.142 11.579 4.035 1.00 0.00 N ATOM 230 CA LYS A 16 -4.631 11.037 5.289 1.00 0.00 C ATOM 231 C LYS A 16 -4.767 9.530 5.257 1.00 0.00 C ATOM 232 O LYS A 16 -4.172 8.823 6.069 1.00 0.00 O ATOM 233 CB LYS A 16 -5.970 11.660 5.602 1.00 0.00 C ATOM 234 CG LYS A 16 -6.474 11.341 6.987 1.00 0.00 C ATOM 235 CD LYS A 16 -7.890 11.820 7.148 1.00 0.00 C ATOM 236 CE LYS A 16 -8.403 11.619 8.565 1.00 0.00 C ATOM 237 NZ LYS A 16 -8.311 10.200 9.008 1.00 0.00 N ATOM 0 H LYS A 16 -4.765 12.261 3.603 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.901 11.276 6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.893 12.742 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.701 11.317 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.424 10.266 7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.835 11.815 7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.946 12.877 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.535 11.286 6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.831 12.247 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.441 11.948 8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.780 10.093 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.778 9.587 8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.311 9.927 9.094 1.00 0.00 H new ATOM 251 N ASN A 17 -5.539 9.046 4.302 1.00 0.00 N ATOM 252 CA ASN A 17 -5.819 7.625 4.194 1.00 0.00 C ATOM 253 C ASN A 17 -4.728 6.992 3.358 1.00 0.00 C ATOM 254 O ASN A 17 -4.940 6.008 2.648 1.00 0.00 O ATOM 255 CB ASN A 17 -7.195 7.386 3.557 1.00 0.00 C ATOM 256 CG ASN A 17 -8.357 7.950 4.359 1.00 0.00 C ATOM 257 OD1 ASN A 17 -9.456 7.402 4.340 1.00 0.00 O ATOM 258 ND2 ASN A 17 -8.127 9.043 5.062 1.00 0.00 N ATOM 0 H ASN A 17 -5.986 9.619 3.586 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.838 7.175 5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.205 7.830 2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.343 6.314 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.876 9.461 5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.201 9.470 5.053 1.00 0.00 H new ATOM 265 N ALA A 18 -3.554 7.588 3.446 1.00 0.00 N ATOM 266 CA ALA A 18 -2.426 7.196 2.639 1.00 0.00 C ATOM 267 C ALA A 18 -1.233 6.913 3.508 1.00 0.00 C ATOM 268 O ALA A 18 -1.187 7.287 4.678 1.00 0.00 O ATOM 269 CB ALA A 18 -2.071 8.284 1.644 1.00 0.00 C ATOM 0 H ALA A 18 -3.360 8.360 4.083 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.703 6.293 2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.217 7.966 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.923 8.471 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.818 9.199 2.180 1.00 0.00 H new ATOM 275 N GLY A 19 -0.276 6.253 2.920 1.00 0.00 N ATOM 276 CA GLY A 19 0.947 5.967 3.600 1.00 0.00 C ATOM 277 C GLY A 19 2.102 5.999 2.647 1.00 0.00 C ATOM 278 O GLY A 19 1.940 5.704 1.461 1.00 0.00 O ATOM 0 H GLY A 19 -0.324 5.902 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.105 6.695 4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.886 4.987 4.072 1.00 0.00 H new ATOM 282 N CYS A 20 3.262 6.350 3.147 1.00 0.00 N ATOM 283 CA CYS A 20 4.418 6.502 2.313 1.00 0.00 C ATOM 284 C CYS A 20 5.392 5.401 2.552 1.00 0.00 C ATOM 285 O CYS A 20 5.480 4.851 3.652 1.00 0.00 O ATOM 286 CB CYS A 20 5.108 7.820 2.578 1.00 0.00 C ATOM 287 SG CYS A 20 6.846 7.847 2.052 1.00 0.00 S ATOM 0 H CYS A 20 3.426 6.536 4.136 1.00 0.00 H new ATOM 0 HA CYS A 20 4.075 6.472 1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.568 8.614 2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.056 8.040 3.644 1.00 0.00 H new ATOM 292 N PHE A 21 6.105 5.065 1.514 1.00 0.00 N ATOM 293 CA PHE A 21 7.181 4.155 1.647 1.00 0.00 C ATOM 294 C PHE A 21 8.336 4.566 0.751 1.00 0.00 C ATOM 295 O PHE A 21 8.142 4.986 -0.389 1.00 0.00 O ATOM 296 CB PHE A 21 6.743 2.745 1.366 1.00 0.00 C ATOM 297 CG PHE A 21 7.816 1.788 1.729 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.798 1.475 0.823 1.00 0.00 C ATOM 299 CD2 PHE A 21 7.862 1.230 2.990 1.00 0.00 C ATOM 300 CE1 PHE A 21 9.809 0.627 1.159 1.00 0.00 C ATOM 301 CE2 PHE A 21 8.873 0.367 3.333 1.00 0.00 C ATOM 302 CZ PHE A 21 9.851 0.067 2.410 1.00 0.00 C ATOM 0 H PHE A 21 5.951 5.415 0.568 1.00 0.00 H new ATOM 0 HA PHE A 21 7.526 4.184 2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.839 2.519 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.494 2.638 0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.769 1.906 -0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.097 1.474 3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.579 0.395 0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.902 -0.073 4.319 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.651 -0.610 2.672 1.00 0.00 H new ATOM 312 N ARG A 22 9.533 4.443 1.286 1.00 0.00 N ATOM 313 CA ARG A 22 10.738 4.812 0.580 1.00 0.00 C ATOM 314 C ARG A 22 11.555 3.565 0.309 1.00 0.00 C ATOM 315 O ARG A 22 12.076 2.939 1.231 1.00 0.00 O ATOM 316 CB ARG A 22 11.538 5.813 1.402 1.00 0.00 C ATOM 317 CG ARG A 22 12.934 6.039 0.892 1.00 0.00 C ATOM 318 CD ARG A 22 13.644 7.083 1.704 1.00 0.00 C ATOM 319 NE ARG A 22 14.275 8.044 0.835 1.00 0.00 N ATOM 320 CZ ARG A 22 15.256 8.862 1.214 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.840 8.697 2.396 1.00 0.00 N ATOM 322 NH2 ARG A 22 15.670 9.818 0.395 1.00 0.00 N ATOM 0 H ARG A 22 9.696 4.083 2.226 1.00 0.00 H new ATOM 0 HA ARG A 22 10.481 5.282 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.007 6.765 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.590 5.463 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.493 5.104 0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.897 6.349 -0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.936 7.587 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.392 6.612 2.342 1.00 0.00 H new ATOM 0 HE ARG A 22 13.950 8.102 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.537 7.944 3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.591 9.323 2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.238 9.926 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.421 10.446 0.682 1.00 0.00 H new ATOM 336 N ASP A 23 11.665 3.200 -0.950 1.00 0.00 N ATOM 337 CA ASP A 23 12.257 1.922 -1.301 1.00 0.00 C ATOM 338 C ASP A 23 13.779 2.007 -1.365 1.00 0.00 C ATOM 339 O ASP A 23 14.374 3.075 -1.210 1.00 0.00 O ATOM 340 CB ASP A 23 11.686 1.387 -2.610 1.00 0.00 C ATOM 341 CG ASP A 23 12.010 2.244 -3.800 1.00 0.00 C ATOM 342 OD1 ASP A 23 13.128 2.122 -4.346 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.137 3.024 -4.211 1.00 0.00 O ATOM 0 H ASP A 23 11.356 3.762 -1.743 1.00 0.00 H new ATOM 0 HA ASP A 23 11.998 1.219 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.071 0.382 -2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.603 1.302 -2.517 1.00 0.00 H new ATOM 348 N ASP A 24 14.388 0.849 -1.602 1.00 0.00 N ATOM 349 CA ASP A 24 15.818 0.649 -1.392 1.00 0.00 C ATOM 350 C ASP A 24 16.661 1.341 -2.451 1.00 0.00 C ATOM 351 O ASP A 24 17.846 1.605 -2.242 1.00 0.00 O ATOM 352 CB ASP A 24 16.120 -0.848 -1.370 1.00 0.00 C ATOM 353 CG ASP A 24 17.602 -1.151 -1.355 1.00 0.00 C ATOM 354 OD1 ASP A 24 18.239 -0.973 -0.295 1.00 0.00 O ATOM 355 OD2 ASP A 24 18.129 -1.574 -2.403 1.00 0.00 O ATOM 0 H ASP A 24 13.902 0.021 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 24 16.082 1.098 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.654 -1.294 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.667 -1.317 -2.243 1.00 0.00 H new ATOM 360 N ASP A 25 16.042 1.654 -3.572 1.00 0.00 N ATOM 361 CA ASP A 25 16.732 2.314 -4.663 1.00 0.00 C ATOM 362 C ASP A 25 16.895 3.801 -4.371 1.00 0.00 C ATOM 363 O ASP A 25 17.517 4.532 -5.141 1.00 0.00 O ATOM 364 CB ASP A 25 15.966 2.100 -5.971 1.00 0.00 C ATOM 365 CG ASP A 25 16.140 0.696 -6.535 1.00 0.00 C ATOM 366 OD1 ASP A 25 15.862 -0.290 -5.813 1.00 0.00 O ATOM 367 OD2 ASP A 25 16.555 0.575 -7.707 1.00 0.00 O ATOM 0 H ASP A 25 15.057 1.461 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 25 17.726 1.879 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.906 2.289 -5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.305 2.827 -6.708 1.00 0.00 H new ATOM 372 N GLY A 26 16.337 4.241 -3.246 1.00 0.00 N ATOM 373 CA GLY A 26 16.429 5.635 -2.853 1.00 0.00 C ATOM 374 C GLY A 26 15.185 6.395 -3.238 1.00 0.00 C ATOM 375 O GLY A 26 15.053 7.588 -2.964 1.00 0.00 O ATOM 0 H GLY A 26 15.819 3.650 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.580 5.702 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.298 6.092 -3.326 1.00 0.00 H new ATOM 379 N THR A 27 14.275 5.684 -3.876 1.00 0.00 N ATOM 380 CA THR A 27 13.015 6.236 -4.335 1.00 0.00 C ATOM 381 C THR A 27 12.052 6.465 -3.171 1.00 0.00 C ATOM 382 O THR A 27 12.107 5.770 -2.157 1.00 0.00 O ATOM 383 CB THR A 27 12.385 5.256 -5.327 1.00 0.00 C ATOM 384 OG1 THR A 27 13.278 5.024 -6.426 1.00 0.00 O ATOM 385 CG2 THR A 27 11.037 5.739 -5.848 1.00 0.00 C ATOM 0 H THR A 27 14.392 4.694 -4.093 1.00 0.00 H new ATOM 0 HA THR A 27 13.206 7.198 -4.810 1.00 0.00 H new ATOM 0 HB THR A 27 12.210 4.324 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.867 4.394 -7.054 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.634 5.007 -6.548 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.347 5.861 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.165 6.695 -6.356 1.00 0.00 H new ATOM 393 N GLU A 28 11.175 7.443 -3.328 1.00 0.00 N ATOM 394 CA GLU A 28 10.187 7.768 -2.316 1.00 0.00 C ATOM 395 C GLU A 28 8.807 7.859 -2.949 1.00 0.00 C ATOM 396 O GLU A 28 8.621 8.512 -3.977 1.00 0.00 O ATOM 397 CB GLU A 28 10.577 9.080 -1.650 1.00 0.00 C ATOM 398 CG GLU A 28 11.889 8.989 -0.893 1.00 0.00 C ATOM 399 CD GLU A 28 12.690 10.276 -0.950 1.00 0.00 C ATOM 400 OE1 GLU A 28 12.212 11.312 -0.460 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.808 10.255 -1.502 1.00 0.00 O ATOM 0 H GLU A 28 11.129 8.032 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 28 10.154 6.985 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.654 9.858 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.787 9.382 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.686 8.738 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.486 8.176 -1.306 1.00 0.00 H new ATOM 408 N GLU A 29 7.849 7.190 -2.336 1.00 0.00 N ATOM 409 CA GLU A 29 6.516 7.085 -2.892 1.00 0.00 C ATOM 410 C GLU A 29 5.495 7.017 -1.779 1.00 0.00 C ATOM 411 O GLU A 29 5.821 6.682 -0.645 1.00 0.00 O ATOM 412 CB GLU A 29 6.396 5.818 -3.740 1.00 0.00 C ATOM 413 CG GLU A 29 5.109 5.734 -4.543 1.00 0.00 C ATOM 414 CD GLU A 29 5.071 6.729 -5.678 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.909 7.937 -5.413 1.00 0.00 O ATOM 416 OE2 GLU A 29 5.210 6.304 -6.847 1.00 0.00 O ATOM 0 H GLU A 29 7.972 6.708 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 29 6.333 7.963 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.243 5.769 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.463 4.948 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.999 4.726 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.260 5.909 -3.882 1.00 0.00 H new ATOM 423 N TRP A 30 4.263 7.319 -2.108 1.00 0.00 N ATOM 424 CA TRP A 30 3.176 7.082 -1.199 1.00 0.00 C ATOM 425 C TRP A 30 2.010 6.488 -1.964 1.00 0.00 C ATOM 426 O TRP A 30 1.901 6.646 -3.180 1.00 0.00 O ATOM 427 CB TRP A 30 2.775 8.356 -0.443 1.00 0.00 C ATOM 428 CG TRP A 30 2.274 9.465 -1.309 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.949 10.588 -1.677 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.975 9.562 -1.894 1.00 0.00 C ATOM 431 NE1 TRP A 30 2.148 11.379 -2.463 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.930 10.769 -2.609 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.151 8.739 -1.884 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.203 11.171 -3.305 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.271 9.142 -2.575 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.291 10.352 -3.275 1.00 0.00 C ATOM 0 H TRP A 30 3.991 7.730 -3.001 1.00 0.00 H new ATOM 0 HA TRP A 30 3.499 6.371 -0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.002 8.103 0.283 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.637 8.714 0.120 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.964 10.822 -1.393 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.416 12.274 -2.871 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.144 7.803 -1.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.221 12.102 -3.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.149 8.513 -2.576 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.187 10.643 -3.803 1.00 0.00 H new ATOM 447 N ARG A 31 1.157 5.799 -1.242 1.00 0.00 N ATOM 448 CA ARG A 31 0.036 5.075 -1.825 1.00 0.00 C ATOM 449 C ARG A 31 -1.151 5.162 -0.895 1.00 0.00 C ATOM 450 O ARG A 31 -1.070 5.768 0.171 1.00 0.00 O ATOM 451 CB ARG A 31 0.375 3.605 -2.083 1.00 0.00 C ATOM 452 CG ARG A 31 1.477 3.385 -3.103 1.00 0.00 C ATOM 453 CD ARG A 31 1.563 1.928 -3.538 1.00 0.00 C ATOM 454 NE ARG A 31 2.731 1.689 -4.386 1.00 0.00 N ATOM 455 CZ ARG A 31 2.885 0.627 -5.177 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.032 -0.393 -5.116 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.924 0.567 -6.001 1.00 0.00 N ATOM 0 H ARG A 31 1.216 5.721 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.197 5.535 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.671 3.142 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.525 3.091 -2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.296 4.014 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.432 3.695 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.614 1.287 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.657 1.655 -4.079 1.00 0.00 H new ATOM 0 HE ARG A 31 3.479 2.383 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.252 -0.367 -4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.159 -1.201 -5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.599 1.331 -6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.047 -0.243 -6.609 1.00 0.00 H new ATOM 471 N CYS A 32 -2.236 4.527 -1.282 1.00 0.00 N ATOM 472 CA CYS A 32 -3.476 4.616 -0.541 1.00 0.00 C ATOM 473 C CYS A 32 -3.724 3.287 0.111 1.00 0.00 C ATOM 474 O CYS A 32 -3.679 2.246 -0.540 1.00 0.00 O ATOM 475 CB CYS A 32 -4.641 4.930 -1.482 1.00 0.00 C ATOM 476 SG CYS A 32 -4.420 6.462 -2.425 1.00 0.00 S ATOM 0 H CYS A 32 -2.284 3.938 -2.113 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.401 5.411 0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.769 4.100 -2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.559 5.002 -0.899 1.00 0.00 H new ATOM 481 N LEU A 33 -3.939 3.343 1.417 1.00 0.00 N ATOM 482 CA LEU A 33 -3.997 2.155 2.237 1.00 0.00 C ATOM 483 C LEU A 33 -5.080 1.213 1.737 1.00 0.00 C ATOM 484 O LEU A 33 -5.998 1.616 1.025 1.00 0.00 O ATOM 485 CB LEU A 33 -4.239 2.517 3.701 1.00 0.00 C ATOM 486 CG LEU A 33 -3.374 3.640 4.290 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.312 3.508 5.799 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.967 3.666 3.704 1.00 0.00 C ATOM 0 H LEU A 33 -4.077 4.213 1.931 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.036 1.646 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.285 2.801 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.087 1.620 4.302 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.846 4.585 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.696 4.308 6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.318 3.576 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.876 2.544 6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.400 4.479 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.470 2.718 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.024 3.819 2.626 1.00 0.00 H new ATOM 500 N LEU A 34 -4.959 -0.036 2.124 1.00 0.00 N ATOM 501 CA LEU A 34 -5.777 -1.093 1.592 1.00 0.00 C ATOM 502 C LEU A 34 -7.250 -0.856 1.840 1.00 0.00 C ATOM 503 O LEU A 34 -7.662 -0.449 2.925 1.00 0.00 O ATOM 504 CB LEU A 34 -5.317 -2.412 2.182 1.00 0.00 C ATOM 505 CG LEU A 34 -3.845 -2.695 1.928 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.446 -4.031 2.515 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.556 -2.644 0.439 1.00 0.00 C ATOM 0 H LEU A 34 -4.284 -0.346 2.823 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.657 -1.118 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.500 -2.407 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.915 -3.220 1.761 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.250 -1.927 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.389 -4.212 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.622 -4.023 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.040 -4.822 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.499 -2.848 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.159 -3.393 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.802 -1.654 0.054 1.00 0.00 H new ATOM 519 N GLY A 35 -8.030 -1.086 0.800 1.00 0.00 N ATOM 520 CA GLY A 35 -9.456 -0.876 0.873 1.00 0.00 C ATOM 521 C GLY A 35 -9.842 0.534 0.491 1.00 0.00 C ATOM 522 O GLY A 35 -11.029 0.875 0.432 1.00 0.00 O ATOM 0 H GLY A 35 -7.695 -1.419 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.960 -1.581 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.802 -1.085 1.886 1.00 0.00 H new ATOM 526 N TYR A 36 -8.838 1.360 0.230 1.00 0.00 N ATOM 527 CA TYR A 36 -9.060 2.757 -0.086 1.00 0.00 C ATOM 528 C TYR A 36 -8.807 3.017 -1.555 1.00 0.00 C ATOM 529 O TYR A 36 -8.577 2.088 -2.331 1.00 0.00 O ATOM 530 CB TYR A 36 -8.160 3.654 0.755 1.00 0.00 C ATOM 531 CG TYR A 36 -8.340 3.486 2.245 1.00 0.00 C ATOM 532 CD1 TYR A 36 -9.333 2.670 2.779 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.511 4.150 3.113 1.00 0.00 C ATOM 534 CE1 TYR A 36 -9.483 2.524 4.140 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.653 4.013 4.479 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.638 3.201 4.988 1.00 0.00 C ATOM 537 OH TYR A 36 -8.777 3.062 6.350 1.00 0.00 O ATOM 0 H TYR A 36 -7.857 1.080 0.232 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.100 2.989 0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.120 3.449 0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.353 4.694 0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.999 2.141 2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.735 4.790 2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.257 1.884 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.991 4.543 5.147 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.977 2.127 6.565 1.00 0.00 H new ATOM 547 N LYS A 37 -8.862 4.280 -1.932 1.00 0.00 N ATOM 548 CA LYS A 37 -8.715 4.665 -3.316 1.00 0.00 C ATOM 549 C LYS A 37 -8.080 6.038 -3.420 1.00 0.00 C ATOM 550 O LYS A 37 -7.905 6.728 -2.412 1.00 0.00 O ATOM 551 CB LYS A 37 -10.087 4.683 -3.978 1.00 0.00 C ATOM 552 CG LYS A 37 -11.048 5.671 -3.348 1.00 0.00 C ATOM 553 CD LYS A 37 -12.424 5.568 -3.964 1.00 0.00 C ATOM 554 CE LYS A 37 -13.325 6.692 -3.485 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.637 6.689 -4.183 1.00 0.00 N ATOM 0 H LYS A 37 -9.009 5.060 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.070 3.945 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.969 4.926 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.520 3.684 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.112 5.486 -2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.666 6.684 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.342 5.602 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.869 4.607 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.485 6.596 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.829 7.649 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.222 7.472 -3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.487 6.807 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.122 5.786 -4.006 1.00 0.00 H new ATOM 569 N LYS A 38 -7.746 6.426 -4.638 1.00 0.00 N ATOM 570 CA LYS A 38 -7.190 7.744 -4.897 1.00 0.00 C ATOM 571 C LYS A 38 -8.323 8.725 -5.135 1.00 0.00 C ATOM 572 O LYS A 38 -9.249 8.438 -5.893 1.00 0.00 O ATOM 573 CB LYS A 38 -6.262 7.720 -6.115 1.00 0.00 C ATOM 574 CG LYS A 38 -5.203 8.806 -6.073 1.00 0.00 C ATOM 575 CD LYS A 38 -4.114 8.458 -5.073 1.00 0.00 C ATOM 576 CE LYS A 38 -2.933 7.789 -5.756 1.00 0.00 C ATOM 577 NZ LYS A 38 -2.012 7.141 -4.790 1.00 0.00 N ATOM 0 H LYS A 38 -7.851 5.843 -5.469 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.605 8.053 -4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.775 6.747 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.857 7.835 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.766 8.933 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.661 9.757 -5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.779 9.363 -4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.518 7.795 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.300 7.043 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.384 8.531 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.321 6.559 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.511 7.871 -4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.557 6.538 -4.142 1.00 0.00 H new ATOM 591 N GLY A 39 -8.255 9.869 -4.475 1.00 0.00 N ATOM 592 CA GLY A 39 -9.320 10.836 -4.575 1.00 0.00 C ATOM 593 C GLY A 39 -9.059 11.906 -5.617 1.00 0.00 C ATOM 594 O GLY A 39 -9.250 11.686 -6.813 1.00 0.00 O ATOM 0 H GLY A 39 -7.480 10.143 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.249 10.320 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.464 11.311 -3.604 1.00 0.00 H new ATOM 598 N GLU A 40 -8.596 13.056 -5.163 1.00 0.00 N ATOM 599 CA GLU A 40 -8.427 14.214 -6.024 1.00 0.00 C ATOM 600 C GLU A 40 -7.007 14.298 -6.579 1.00 0.00 C ATOM 601 O GLU A 40 -6.317 15.310 -6.439 1.00 0.00 O ATOM 602 CB GLU A 40 -8.786 15.478 -5.246 1.00 0.00 C ATOM 603 CG GLU A 40 -7.925 15.708 -4.013 1.00 0.00 C ATOM 604 CD GLU A 40 -8.476 16.793 -3.120 1.00 0.00 C ATOM 605 OE1 GLU A 40 -8.225 17.980 -3.396 1.00 0.00 O ATOM 606 OE2 GLU A 40 -9.173 16.460 -2.137 1.00 0.00 O ATOM 0 H GLU A 40 -8.327 13.214 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.096 14.115 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.693 16.339 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.831 15.421 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.850 14.779 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.915 15.975 -4.323 1.00 0.00 H new ATOM 613 N GLY A 41 -6.574 13.224 -7.216 1.00 0.00 N ATOM 614 CA GLY A 41 -5.257 13.203 -7.811 1.00 0.00 C ATOM 615 C GLY A 41 -4.200 12.680 -6.865 1.00 0.00 C ATOM 616 O GLY A 41 -3.699 11.571 -7.036 1.00 0.00 O ATOM 0 H GLY A 41 -7.112 12.365 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.277 12.582 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.989 14.211 -8.128 1.00 0.00 H new ATOM 620 N ASN A 42 -3.866 13.468 -5.856 1.00 0.00 N ATOM 621 CA ASN A 42 -2.830 13.081 -4.909 1.00 0.00 C ATOM 622 C ASN A 42 -3.390 12.937 -3.505 1.00 0.00 C ATOM 623 O ASN A 42 -2.798 13.405 -2.536 1.00 0.00 O ATOM 624 CB ASN A 42 -1.668 14.084 -4.909 1.00 0.00 C ATOM 625 CG ASN A 42 -2.070 15.483 -4.468 1.00 0.00 C ATOM 626 OD1 ASN A 42 -3.213 15.907 -4.645 1.00 0.00 O ATOM 627 ND2 ASN A 42 -1.123 16.213 -3.901 1.00 0.00 N ATOM 0 H ASN A 42 -4.294 14.375 -5.671 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.450 12.112 -5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.882 13.716 -4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.244 14.136 -5.912 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.328 17.164 -3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.188 15.825 -3.772 1.00 0.00 H new ATOM 634 N THR A 43 -4.520 12.269 -3.390 1.00 0.00 N ATOM 635 CA THR A 43 -5.107 12.024 -2.088 1.00 0.00 C ATOM 636 C THR A 43 -5.617 10.615 -1.976 1.00 0.00 C ATOM 637 O THR A 43 -5.924 9.969 -2.977 1.00 0.00 O ATOM 638 CB THR A 43 -6.257 12.981 -1.752 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.195 13.036 -2.825 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.732 14.366 -1.442 1.00 0.00 C ATOM 0 H THR A 43 -5.047 11.888 -4.176 1.00 0.00 H new ATOM 0 HA THR A 43 -4.300 12.194 -1.375 1.00 0.00 H new ATOM 0 HB THR A 43 -6.765 12.600 -0.866 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.977 12.489 -2.604 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.566 15.027 -1.207 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.056 14.316 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.195 14.754 -2.308 1.00 0.00 H new ATOM 648 N CYS A 44 -5.706 10.144 -0.756 1.00 0.00 N ATOM 649 CA CYS A 44 -6.234 8.829 -0.502 1.00 0.00 C ATOM 650 C CYS A 44 -7.435 8.914 0.406 1.00 0.00 C ATOM 651 O CYS A 44 -7.433 9.640 1.404 1.00 0.00 O ATOM 652 CB CYS A 44 -5.162 7.935 0.089 1.00 0.00 C ATOM 653 SG CYS A 44 -3.733 7.740 -1.017 1.00 0.00 S ATOM 0 H CYS A 44 -5.418 10.655 0.078 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.555 8.389 -1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.828 8.352 1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.588 6.955 0.304 1.00 0.00 H new ATOM 658 N VAL A 45 -8.450 8.171 0.041 1.00 0.00 N ATOM 659 CA VAL A 45 -9.735 8.225 0.699 1.00 0.00 C ATOM 660 C VAL A 45 -10.301 6.835 0.819 1.00 0.00 C ATOM 661 O VAL A 45 -9.978 5.952 0.022 1.00 0.00 O ATOM 662 CB VAL A 45 -10.737 9.103 -0.081 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.334 10.570 -0.022 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.841 8.640 -1.534 1.00 0.00 C ATOM 0 H VAL A 45 -8.408 7.504 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.583 8.664 1.685 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.715 8.997 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.055 11.168 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.314 10.900 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.344 10.693 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.552 9.271 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.863 8.713 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.182 7.605 -1.563 1.00 0.00 H new ATOM 674 N GLU A 46 -11.128 6.640 1.823 1.00 0.00 N ATOM 675 CA GLU A 46 -11.766 5.363 2.034 1.00 0.00 C ATOM 676 C GLU A 46 -12.687 5.021 0.874 1.00 0.00 C ATOM 677 O GLU A 46 -13.748 5.622 0.712 1.00 0.00 O ATOM 678 CB GLU A 46 -12.560 5.376 3.329 1.00 0.00 C ATOM 679 CG GLU A 46 -11.744 5.029 4.561 1.00 0.00 C ATOM 680 CD GLU A 46 -12.623 4.898 5.783 1.00 0.00 C ATOM 681 OE1 GLU A 46 -13.522 4.029 5.780 1.00 0.00 O ATOM 682 OE2 GLU A 46 -12.445 5.682 6.737 1.00 0.00 O ATOM 0 H GLU A 46 -11.374 7.355 2.508 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.987 4.604 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.998 6.365 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.386 4.670 3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.209 4.094 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.993 5.800 4.732 1.00 0.00 H new ATOM 689 N ASN A 47 -12.268 4.058 0.070 1.00 0.00 N ATOM 690 CA ASN A 47 -13.048 3.624 -1.076 1.00 0.00 C ATOM 691 C ASN A 47 -14.320 2.927 -0.615 1.00 0.00 C ATOM 692 O ASN A 47 -15.400 3.152 -1.162 1.00 0.00 O ATOM 693 CB ASN A 47 -12.189 2.712 -1.970 1.00 0.00 C ATOM 694 CG ASN A 47 -12.949 2.041 -3.101 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.040 2.454 -3.477 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.323 1.041 -3.696 1.00 0.00 N ATOM 0 H ASN A 47 -11.386 3.560 0.191 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.347 4.491 -1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.377 3.302 -2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.732 1.941 -1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.747 0.581 -4.502 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.416 0.729 -3.350 1.00 0.00 H new ATOM 703 N ASN A 48 -14.172 2.085 0.407 1.00 0.00 N ATOM 704 CA ASN A 48 -15.303 1.432 1.080 1.00 0.00 C ATOM 705 C ASN A 48 -15.990 0.395 0.194 1.00 0.00 C ATOM 706 O ASN A 48 -16.779 -0.415 0.677 1.00 0.00 O ATOM 707 CB ASN A 48 -16.309 2.467 1.594 1.00 0.00 C ATOM 708 CG ASN A 48 -15.728 3.359 2.680 1.00 0.00 C ATOM 709 OD1 ASN A 48 -16.085 4.527 2.792 1.00 0.00 O ATOM 710 ND2 ASN A 48 -14.842 2.810 3.502 1.00 0.00 N ATOM 0 H ASN A 48 -13.263 1.833 0.796 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.893 0.895 1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.645 3.086 0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.187 1.952 1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.435 3.363 4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.568 1.835 3.379 1.00 0.00 H new ATOM 717 N ASN A 49 -15.680 0.419 -1.091 1.00 0.00 N ATOM 718 CA ASN A 49 -16.060 -0.652 -2.007 1.00 0.00 C ATOM 719 C ASN A 49 -14.823 -1.132 -2.784 1.00 0.00 C ATOM 720 O ASN A 49 -14.805 -1.125 -4.019 1.00 0.00 O ATOM 721 CB ASN A 49 -17.123 -0.136 -2.970 1.00 0.00 C ATOM 722 CG ASN A 49 -17.629 -1.179 -3.966 1.00 0.00 C ATOM 723 OD1 ASN A 49 -17.918 -0.850 -5.119 1.00 0.00 O ATOM 724 ND2 ASN A 49 -17.766 -2.427 -3.537 1.00 0.00 N ATOM 0 H ASN A 49 -15.159 1.178 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.466 -1.492 -1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.968 0.238 -2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.715 0.710 -3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.119 -3.147 -4.167 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.518 -2.666 -2.577 1.00 0.00 H new ATOM 731 N PRO A 50 -13.742 -1.505 -2.072 1.00 0.00 N ATOM 732 CA PRO A 50 -12.513 -1.960 -2.705 1.00 0.00 C ATOM 733 C PRO A 50 -12.672 -3.292 -3.418 1.00 0.00 C ATOM 734 O PRO A 50 -13.177 -4.266 -2.857 1.00 0.00 O ATOM 735 CB PRO A 50 -11.516 -2.079 -1.561 1.00 0.00 C ATOM 736 CG PRO A 50 -12.325 -2.135 -0.316 1.00 0.00 C ATOM 737 CD PRO A 50 -13.625 -1.468 -0.610 1.00 0.00 C ATOM 0 HA PRO A 50 -12.195 -1.265 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.904 -2.974 -1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.836 -1.227 -1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.483 -3.168 -0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.810 -1.631 0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.454 -1.990 -0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.637 -0.444 -0.238 1.00 0.00 H new ATOM 745 N THR A 51 -12.241 -3.314 -4.661 1.00 0.00 N ATOM 746 CA THR A 51 -12.295 -4.506 -5.473 1.00 0.00 C ATOM 747 C THR A 51 -10.892 -4.872 -5.921 1.00 0.00 C ATOM 748 O THR A 51 -10.034 -3.995 -6.066 1.00 0.00 O ATOM 749 CB THR A 51 -13.194 -4.308 -6.710 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.344 -5.546 -7.410 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.614 -3.253 -7.649 1.00 0.00 C ATOM 0 H THR A 51 -11.843 -2.504 -5.136 1.00 0.00 H new ATOM 0 HA THR A 51 -12.721 -5.309 -4.871 1.00 0.00 H new ATOM 0 HB THR A 51 -14.169 -3.963 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.918 -5.412 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.269 -3.135 -8.512 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.533 -2.302 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.626 -3.568 -7.984 1.00 0.00 H new ATOM 759 N CYS A 52 -10.643 -6.150 -6.133 1.00 0.00 N ATOM 760 CA CYS A 52 -9.372 -6.551 -6.678 1.00 0.00 C ATOM 761 C CYS A 52 -9.498 -6.466 -8.184 1.00 0.00 C ATOM 762 O CYS A 52 -10.415 -7.053 -8.761 1.00 0.00 O ATOM 763 CB CYS A 52 -9.042 -7.982 -6.252 1.00 0.00 C ATOM 764 SG CYS A 52 -7.295 -8.434 -6.450 1.00 0.00 S ATOM 0 H CYS A 52 -11.294 -6.911 -5.939 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.570 -5.908 -6.317 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.323 -8.112 -5.207 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.652 -8.672 -6.834 1.00 0.00 H new ATOM 769 N ASP A 53 -8.539 -5.786 -8.804 1.00 0.00 N ATOM 770 CA ASP A 53 -8.649 -5.341 -10.195 1.00 0.00 C ATOM 771 C ASP A 53 -7.801 -4.101 -10.393 1.00 0.00 C ATOM 772 O ASP A 53 -6.881 -4.083 -11.205 1.00 0.00 O ATOM 773 CB ASP A 53 -10.094 -4.964 -10.555 1.00 0.00 C ATOM 774 CG ASP A 53 -10.243 -4.529 -11.998 1.00 0.00 C ATOM 775 OD1 ASP A 53 -10.264 -5.404 -12.891 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.351 -3.311 -12.250 1.00 0.00 O ATOM 0 H ASP A 53 -7.660 -5.526 -8.357 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.318 -6.164 -10.828 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.745 -5.818 -10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.429 -4.159 -9.901 1.00 0.00 H new ATOM 781 N ILE A 54 -8.118 -3.075 -9.597 1.00 0.00 N ATOM 782 CA ILE A 54 -7.549 -1.741 -9.755 1.00 0.00 C ATOM 783 C ILE A 54 -6.032 -1.763 -9.692 1.00 0.00 C ATOM 784 O ILE A 54 -5.354 -1.906 -10.707 1.00 0.00 O ATOM 785 CB ILE A 54 -8.115 -0.799 -8.666 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.642 -0.756 -8.768 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.511 0.599 -8.766 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.316 -0.057 -7.606 1.00 0.00 C ATOM 0 H ILE A 54 -8.779 -3.151 -8.824 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.830 -1.371 -10.741 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.839 -1.191 -7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.920 -0.252 -9.693 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.021 -1.776 -8.835 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.931 1.234 -7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.430 0.538 -8.641 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.740 1.025 -9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.396 -0.068 -7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.070 -0.574 -6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.968 0.974 -7.550 1.00 0.00 H new ATOM 800 N ASN A 55 -5.509 -1.611 -8.505 1.00 0.00 N ATOM 801 CA ASN A 55 -4.107 -1.796 -8.268 1.00 0.00 C ATOM 802 C ASN A 55 -3.957 -3.067 -7.483 1.00 0.00 C ATOM 803 O ASN A 55 -3.405 -3.079 -6.393 1.00 0.00 O ATOM 804 CB ASN A 55 -3.523 -0.617 -7.511 1.00 0.00 C ATOM 805 CG ASN A 55 -2.020 -0.710 -7.393 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.356 -1.281 -8.257 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.471 -0.151 -6.339 1.00 0.00 N ATOM 0 H ASN A 55 -6.045 -1.355 -7.676 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.564 -1.861 -9.211 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.790 0.309 -8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.963 -0.572 -6.515 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.459 -0.181 -6.215 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.057 0.313 -5.645 1.00 0.00 H new ATOM 814 N ASN A 56 -4.542 -4.133 -8.024 1.00 0.00 N ATOM 815 CA ASN A 56 -4.562 -5.426 -7.344 1.00 0.00 C ATOM 816 C ASN A 56 -5.355 -5.253 -6.057 1.00 0.00 C ATOM 817 O ASN A 56 -5.009 -5.803 -5.034 1.00 0.00 O ATOM 818 CB ASN A 56 -3.142 -5.932 -6.989 1.00 0.00 C ATOM 819 CG ASN A 56 -2.054 -5.420 -7.898 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.184 -5.400 -9.120 1.00 0.00 O ATOM 821 ND2 ASN A 56 -0.986 -4.961 -7.281 1.00 0.00 N ATOM 0 H ASN A 56 -5.008 -4.127 -8.931 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.010 -6.162 -8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.911 -5.640 -5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.140 -7.022 -7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.216 -4.565 -7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.928 -5.001 -6.263 1.00 0.00 H new ATOM 828 N GLY A 57 -6.384 -4.414 -6.109 1.00 0.00 N ATOM 829 CA GLY A 57 -7.176 -4.138 -4.929 1.00 0.00 C ATOM 830 C GLY A 57 -6.621 -2.981 -4.115 1.00 0.00 C ATOM 831 O GLY A 57 -7.291 -2.465 -3.225 1.00 0.00 O ATOM 0 H GLY A 57 -6.683 -3.920 -6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.200 -3.911 -5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.216 -5.031 -4.305 1.00 0.00 H new ATOM 835 N GLY A 58 -5.409 -2.553 -4.449 1.00 0.00 N ATOM 836 CA GLY A 58 -4.731 -1.537 -3.668 1.00 0.00 C ATOM 837 C GLY A 58 -3.406 -2.055 -3.133 1.00 0.00 C ATOM 838 O GLY A 58 -2.802 -1.472 -2.239 1.00 0.00 O ATOM 0 H GLY A 58 -4.881 -2.895 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.558 -0.655 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.366 -1.227 -2.838 1.00 0.00 H new ATOM 842 N CYS A 59 -2.951 -3.129 -3.749 1.00 0.00 N ATOM 843 CA CYS A 59 -1.765 -3.865 -3.350 1.00 0.00 C ATOM 844 C CYS A 59 -0.637 -3.595 -4.318 1.00 0.00 C ATOM 845 O CYS A 59 -0.746 -2.791 -5.242 1.00 0.00 O ATOM 846 CB CYS A 59 -2.036 -5.369 -3.367 1.00 0.00 C ATOM 847 SG CYS A 59 -3.594 -5.877 -2.580 1.00 0.00 S ATOM 0 H CYS A 59 -3.411 -3.527 -4.568 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.496 -3.541 -2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.041 -5.711 -4.402 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.211 -5.877 -2.868 1.00 0.00 H new ATOM 852 N ASP A 60 0.445 -4.280 -4.082 1.00 0.00 N ATOM 853 CA ASP A 60 1.580 -4.257 -4.962 1.00 0.00 C ATOM 854 C ASP A 60 1.478 -5.496 -5.813 1.00 0.00 C ATOM 855 O ASP A 60 0.973 -6.506 -5.354 1.00 0.00 O ATOM 856 CB ASP A 60 2.832 -4.330 -4.102 1.00 0.00 C ATOM 857 CG ASP A 60 4.114 -4.107 -4.875 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.525 -5.020 -5.619 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.720 -3.030 -4.732 1.00 0.00 O ATOM 0 H ASP A 60 0.566 -4.877 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 60 1.615 -3.361 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.762 -3.585 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.874 -5.306 -3.619 1.00 0.00 H new ATOM 864 N PRO A 61 1.841 -5.406 -7.098 1.00 0.00 N ATOM 865 CA PRO A 61 1.707 -6.525 -8.032 1.00 0.00 C ATOM 866 C PRO A 61 2.442 -7.771 -7.550 1.00 0.00 C ATOM 867 O PRO A 61 2.224 -8.871 -8.056 1.00 0.00 O ATOM 868 CB PRO A 61 2.337 -6.008 -9.327 1.00 0.00 C ATOM 869 CG PRO A 61 2.341 -4.526 -9.211 1.00 0.00 C ATOM 870 CD PRO A 61 2.375 -4.200 -7.747 1.00 0.00 C ATOM 0 HA PRO A 61 0.666 -6.826 -8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.349 -6.393 -9.451 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.765 -6.331 -10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.206 -4.102 -9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.454 -4.100 -9.680 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.389 -3.982 -7.411 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.768 -3.323 -7.520 1.00 0.00 H new ATOM 878 N THR A 62 3.323 -7.582 -6.580 1.00 0.00 N ATOM 879 CA THR A 62 4.039 -8.678 -5.960 1.00 0.00 C ATOM 880 C THR A 62 3.258 -9.203 -4.760 1.00 0.00 C ATOM 881 O THR A 62 3.453 -10.333 -4.307 1.00 0.00 O ATOM 882 CB THR A 62 5.440 -8.211 -5.532 1.00 0.00 C ATOM 883 OG1 THR A 62 5.340 -7.261 -4.462 1.00 0.00 O ATOM 884 CG2 THR A 62 6.132 -7.549 -6.709 1.00 0.00 C ATOM 0 H THR A 62 3.559 -6.664 -6.203 1.00 0.00 H new ATOM 0 HA THR A 62 4.147 -9.488 -6.681 1.00 0.00 H new ATOM 0 HB THR A 62 6.011 -9.076 -5.197 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.311 -6.354 -4.832 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.125 -7.217 -6.407 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.221 -8.263 -7.528 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.547 -6.690 -7.039 1.00 0.00 H new ATOM 892 N ALA A 63 2.358 -8.366 -4.263 1.00 0.00 N ATOM 893 CA ALA A 63 1.442 -8.744 -3.208 1.00 0.00 C ATOM 894 C ALA A 63 0.251 -9.481 -3.805 1.00 0.00 C ATOM 895 O ALA A 63 -0.485 -8.933 -4.625 1.00 0.00 O ATOM 896 CB ALA A 63 0.973 -7.510 -2.435 1.00 0.00 C ATOM 0 H ALA A 63 2.246 -7.404 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 63 1.958 -9.405 -2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.285 -7.815 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.834 -7.009 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.465 -6.826 -3.115 1.00 0.00 H new ATOM 902 N SER A 64 0.083 -10.731 -3.418 1.00 0.00 N ATOM 903 CA SER A 64 -1.041 -11.524 -3.872 1.00 0.00 C ATOM 904 C SER A 64 -2.323 -10.941 -3.296 1.00 0.00 C ATOM 905 O SER A 64 -2.488 -10.882 -2.078 1.00 0.00 O ATOM 906 CB SER A 64 -0.878 -12.983 -3.438 1.00 0.00 C ATOM 907 OG SER A 64 -1.702 -13.844 -4.207 1.00 0.00 O ATOM 0 H SER A 64 0.716 -11.221 -2.786 1.00 0.00 H new ATOM 0 HA SER A 64 -1.085 -11.499 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.165 -13.282 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.131 -13.081 -2.382 1.00 0.00 H new ATOM 0 HG SER A 64 -1.576 -14.769 -3.909 1.00 0.00 H new ATOM 913 N CYS A 65 -3.202 -10.486 -4.168 1.00 0.00 N ATOM 914 CA CYS A 65 -4.417 -9.817 -3.737 1.00 0.00 C ATOM 915 C CYS A 65 -5.572 -10.784 -3.563 1.00 0.00 C ATOM 916 O CYS A 65 -5.774 -11.702 -4.363 1.00 0.00 O ATOM 917 CB CYS A 65 -4.817 -8.730 -4.728 1.00 0.00 C ATOM 918 SG CYS A 65 -6.553 -8.197 -4.578 1.00 0.00 S ATOM 0 H CYS A 65 -3.099 -10.567 -5.180 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.199 -9.368 -2.768 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.168 -7.866 -4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.645 -9.094 -5.741 1.00 0.00 H new ATOM 923 N GLN A 66 -6.316 -10.558 -2.504 1.00 0.00 N ATOM 924 CA GLN A 66 -7.535 -11.290 -2.226 1.00 0.00 C ATOM 925 C GLN A 66 -8.656 -10.289 -2.020 1.00 0.00 C ATOM 926 O GLN A 66 -8.455 -9.264 -1.369 1.00 0.00 O ATOM 927 CB GLN A 66 -7.376 -12.113 -0.954 1.00 0.00 C ATOM 928 CG GLN A 66 -5.958 -12.578 -0.724 1.00 0.00 C ATOM 929 CD GLN A 66 -5.635 -13.882 -1.425 1.00 0.00 C ATOM 930 OE1 GLN A 66 -6.202 -14.206 -2.471 1.00 0.00 O ATOM 931 NE2 GLN A 66 -4.715 -14.637 -0.854 1.00 0.00 N ATOM 0 H GLN A 66 -6.091 -9.853 -1.802 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.756 -11.958 -3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.700 -11.518 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.033 -12.981 -1.005 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.269 -11.807 -1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.791 -12.698 0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.270 -14.332 0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.449 -15.526 -1.278 1.00 0.00 H new ATOM 940 N ASN A 67 -9.823 -10.557 -2.569 1.00 0.00 N ATOM 941 CA ASN A 67 -10.964 -9.705 -2.298 1.00 0.00 C ATOM 942 C ASN A 67 -11.815 -10.301 -1.203 1.00 0.00 C ATOM 943 O ASN A 67 -12.028 -11.514 -1.144 1.00 0.00 O ATOM 944 CB ASN A 67 -11.806 -9.425 -3.542 1.00 0.00 C ATOM 945 CG ASN A 67 -12.003 -10.636 -4.439 1.00 0.00 C ATOM 946 OD1 ASN A 67 -11.955 -11.781 -3.991 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.245 -10.387 -5.716 1.00 0.00 N ATOM 0 H ASN A 67 -10.006 -11.342 -3.194 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.570 -8.744 -1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.782 -9.053 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.331 -8.631 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.399 -11.158 -6.366 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.277 -9.424 -6.051 1.00 0.00 H new ATOM 954 N ALA A 68 -12.283 -9.434 -0.338 1.00 0.00 N ATOM 955 CA ALA A 68 -13.013 -9.844 0.839 1.00 0.00 C ATOM 956 C ALA A 68 -13.926 -8.728 1.311 1.00 0.00 C ATOM 957 O ALA A 68 -13.808 -7.585 0.863 1.00 0.00 O ATOM 958 CB ALA A 68 -12.036 -10.225 1.940 1.00 0.00 C ATOM 0 H ALA A 68 -12.169 -8.425 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.628 -10.709 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.590 -10.534 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.407 -11.048 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.410 -9.367 2.184 1.00 0.00 H new ATOM 964 N GLU A 69 -14.848 -9.069 2.193 1.00 0.00 N ATOM 965 CA GLU A 69 -15.687 -8.085 2.844 1.00 0.00 C ATOM 966 C GLU A 69 -15.622 -8.286 4.345 1.00 0.00 C ATOM 967 O GLU A 69 -16.358 -9.086 4.925 1.00 0.00 O ATOM 968 CB GLU A 69 -17.121 -8.167 2.349 1.00 0.00 C ATOM 969 CG GLU A 69 -17.251 -7.876 0.862 1.00 0.00 C ATOM 970 CD GLU A 69 -18.689 -7.829 0.392 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.363 -6.808 0.640 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.149 -8.811 -0.226 1.00 0.00 O ATOM 0 H GLU A 69 -15.034 -10.031 2.476 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.318 -7.090 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.515 -9.162 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.734 -7.460 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.771 -6.923 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.716 -8.641 0.300 1.00 0.00 H new ATOM 979 N SER A 70 -14.724 -7.551 4.951 1.00 0.00 N ATOM 980 CA SER A 70 -14.424 -7.692 6.365 1.00 0.00 C ATOM 981 C SER A 70 -15.217 -6.668 7.171 1.00 0.00 C ATOM 982 O SER A 70 -16.069 -5.971 6.617 1.00 0.00 O ATOM 983 CB SER A 70 -12.918 -7.500 6.588 1.00 0.00 C ATOM 984 OG SER A 70 -12.510 -7.949 7.870 1.00 0.00 O ATOM 0 H SER A 70 -14.174 -6.832 4.480 1.00 0.00 H new ATOM 0 HA SER A 70 -14.709 -8.689 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.366 -8.043 5.821 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.666 -6.445 6.476 1.00 0.00 H new ATOM 0 HG SER A 70 -11.545 -7.812 7.973 1.00 0.00 H new ATOM 990 N THR A 71 -14.956 -6.572 8.464 1.00 0.00 N ATOM 991 CA THR A 71 -15.572 -5.539 9.270 1.00 0.00 C ATOM 992 C THR A 71 -14.933 -4.195 8.928 1.00 0.00 C ATOM 993 O THR A 71 -15.599 -3.159 8.899 1.00 0.00 O ATOM 994 CB THR A 71 -15.446 -5.844 10.781 1.00 0.00 C ATOM 995 OG1 THR A 71 -16.071 -4.814 11.556 1.00 0.00 O ATOM 996 CG2 THR A 71 -13.989 -5.989 11.196 1.00 0.00 C ATOM 0 H THR A 71 -14.326 -7.193 8.972 1.00 0.00 H new ATOM 0 HA THR A 71 -16.638 -5.504 9.044 1.00 0.00 H new ATOM 0 HB THR A 71 -15.953 -6.790 10.969 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.984 -5.023 12.509 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.934 -6.203 12.263 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.531 -6.806 10.638 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.456 -5.062 10.984 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.645 -4.241 8.613 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.918 -3.062 8.188 1.00 0.00 C ATOM 1006 C GLU A 72 -12.872 -2.992 6.676 1.00 0.00 C ATOM 1007 O GLU A 72 -12.613 -3.990 6.004 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.495 -3.077 8.721 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.390 -2.821 10.208 1.00 0.00 C ATOM 1010 CD GLU A 72 -11.762 -1.399 10.587 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -11.312 -0.457 9.900 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -12.516 -1.215 11.566 1.00 0.00 O ATOM 0 H GLU A 72 -13.083 -5.091 8.646 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.439 -2.191 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.045 -4.044 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.912 -2.324 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.041 -3.516 10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.371 -3.025 10.536 1.00 0.00 H new ATOM 1019 N ASN A 73 -13.113 -1.803 6.157 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.963 -1.529 4.736 1.00 0.00 C ATOM 1021 C ASN A 73 -11.501 -1.640 4.359 1.00 0.00 C ATOM 1022 O ASN A 73 -11.162 -1.959 3.224 1.00 0.00 O ATOM 1023 CB ASN A 73 -13.467 -0.123 4.408 1.00 0.00 C ATOM 1024 CG ASN A 73 -14.942 0.070 4.708 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -15.783 -0.111 3.833 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -15.265 0.458 5.931 1.00 0.00 N ATOM 0 H ASN A 73 -13.418 -0.999 6.706 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.550 -2.253 4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.889 0.605 4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.288 0.083 3.353 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.243 0.617 6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.536 0.598 6.631 1.00 0.00 H new ATOM 1033 N SER A 74 -10.644 -1.380 5.336 1.00 0.00 N ATOM 1034 CA SER A 74 -9.210 -1.466 5.151 1.00 0.00 C ATOM 1035 C SER A 74 -8.762 -2.924 5.036 1.00 0.00 C ATOM 1036 O SER A 74 -7.718 -3.225 4.461 1.00 0.00 O ATOM 1037 CB SER A 74 -8.509 -0.801 6.333 1.00 0.00 C ATOM 1038 OG SER A 74 -9.219 0.351 6.760 1.00 0.00 O ATOM 0 H SER A 74 -10.927 -1.104 6.276 1.00 0.00 H new ATOM 0 HA SER A 74 -8.944 -0.954 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.427 -1.509 7.158 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.494 -0.523 6.049 1.00 0.00 H new ATOM 0 HG SER A 74 -8.837 0.677 7.602 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.564 -3.833 5.586 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.217 -5.248 5.605 1.00 0.00 C ATOM 1046 C LYS A 75 -9.925 -6.000 4.487 1.00 0.00 C ATOM 1047 O LYS A 75 -9.924 -7.229 4.464 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.586 -5.881 6.951 1.00 0.00 C ATOM 1049 CG LYS A 75 -8.901 -5.264 8.164 1.00 0.00 C ATOM 1050 CD LYS A 75 -7.387 -5.401 8.103 1.00 0.00 C ATOM 1051 CE LYS A 75 -6.747 -4.211 7.410 1.00 0.00 C ATOM 1052 NZ LYS A 75 -5.261 -4.298 7.400 1.00 0.00 N ATOM 0 H LYS A 75 -10.458 -3.613 6.024 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.140 -5.321 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.665 -5.808 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.341 -6.942 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.166 -4.209 8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.271 -5.743 9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.988 -5.493 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.125 -6.316 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.112 -4.150 6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.052 -3.293 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.864 -3.413 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.916 -4.449 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.964 -5.093 6.799 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.526 -5.265 3.560 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.286 -5.894 2.493 1.00 0.00 C ATOM 1068 C LYS A 76 -10.371 -6.454 1.428 1.00 0.00 C ATOM 1069 O LYS A 76 -10.682 -7.455 0.789 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.256 -4.925 1.852 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.330 -4.440 2.794 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.402 -3.686 2.038 1.00 0.00 C ATOM 1073 CE LYS A 76 -15.308 -2.929 2.974 1.00 0.00 C ATOM 1074 NZ LYS A 76 -16.592 -2.534 2.339 1.00 0.00 N ATOM 0 H LYS A 76 -10.502 -4.246 3.526 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.850 -6.707 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.702 -4.067 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.726 -5.407 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.774 -5.288 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.890 -3.793 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.936 -2.991 1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.992 -4.386 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.515 -3.545 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.793 -2.036 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.332 -2.463 3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.478 -1.613 1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.866 -3.249 1.636 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.254 -5.792 1.219 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.294 -6.256 0.248 1.00 0.00 C ATOM 1090 C ILE A 77 -7.086 -6.814 0.962 1.00 0.00 C ATOM 1091 O ILE A 77 -6.390 -6.110 1.697 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.873 -5.136 -0.719 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.097 -4.579 -1.446 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.860 -5.646 -1.729 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.846 -5.626 -2.245 1.00 0.00 C ATOM 0 H ILE A 77 -8.991 -4.936 1.707 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.763 -7.039 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.409 -4.340 -0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.774 -4.136 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.781 -3.779 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.578 -4.836 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.975 -6.008 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.299 -6.460 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.703 -5.165 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.183 -6.053 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.192 -6.415 -1.577 1.00 0.00 H new ATOM 1107 N ILE A 78 -6.868 -8.091 0.763 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.782 -8.788 1.413 1.00 0.00 C ATOM 1109 C ILE A 78 -4.581 -8.838 0.489 1.00 0.00 C ATOM 1110 O ILE A 78 -4.586 -9.547 -0.513 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.167 -10.231 1.819 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.423 -10.249 2.697 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.012 -10.897 2.539 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.708 -10.036 1.925 1.00 0.00 C ATOM 0 H ILE A 78 -7.435 -8.676 0.149 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.544 -8.237 2.323 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.389 -10.788 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.477 -11.204 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.334 -9.474 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.295 -11.912 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.144 -10.931 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.765 -10.328 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.554 -10.061 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.676 -9.068 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.821 -10.825 1.181 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.572 -8.058 0.812 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.363 -8.019 0.019 1.00 0.00 C ATOM 1128 C CYS A 79 -1.275 -8.838 0.689 1.00 0.00 C ATOM 1129 O CYS A 79 -0.783 -8.491 1.763 1.00 0.00 O ATOM 1130 CB CYS A 79 -1.926 -6.574 -0.162 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.300 -5.487 -0.619 1.00 0.00 S ATOM 0 H CYS A 79 -3.566 -7.439 1.623 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.553 -8.452 -0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.475 -6.215 0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.156 -6.524 -0.932 1.00 0.00 H new ATOM 1136 N THR A 80 -0.923 -9.935 0.053 1.00 0.00 N ATOM 1137 CA THR A 80 0.044 -10.869 0.595 1.00 0.00 C ATOM 1138 C THR A 80 1.367 -10.776 -0.150 1.00 0.00 C ATOM 1139 O THR A 80 1.470 -11.201 -1.298 1.00 0.00 O ATOM 1140 CB THR A 80 -0.490 -12.313 0.503 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.702 -12.445 1.259 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.542 -13.311 1.002 1.00 0.00 C ATOM 0 H THR A 80 -1.299 -10.206 -0.856 1.00 0.00 H new ATOM 0 HA THR A 80 0.207 -10.608 1.641 1.00 0.00 H new ATOM 0 HB THR A 80 -0.697 -12.528 -0.545 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.031 -13.365 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.138 -14.321 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.445 -13.234 0.396 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.784 -13.095 2.043 1.00 0.00 H new ATOM 1150 N CYS A 81 2.382 -10.254 0.506 1.00 0.00 N ATOM 1151 CA CYS A 81 3.683 -10.139 -0.124 1.00 0.00 C ATOM 1152 C CYS A 81 4.383 -11.491 -0.026 1.00 0.00 C ATOM 1153 O CYS A 81 4.247 -12.201 0.976 1.00 0.00 O ATOM 1154 CB CYS A 81 4.513 -9.036 0.542 1.00 0.00 C ATOM 1155 SG CYS A 81 3.614 -7.471 0.833 1.00 0.00 S ATOM 0 H CYS A 81 2.335 -9.906 1.464 1.00 0.00 H new ATOM 0 HA CYS A 81 3.567 -9.863 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.886 -9.407 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.383 -8.829 -0.081 1.00 0.00 H new ATOM 1160 N LYS A 82 5.103 -11.848 -1.082 1.00 0.00 N ATOM 1161 CA LYS A 82 5.628 -13.201 -1.252 1.00 0.00 C ATOM 1162 C LYS A 82 6.760 -13.532 -0.271 1.00 0.00 C ATOM 1163 O LYS A 82 7.124 -12.720 0.576 1.00 0.00 O ATOM 1164 CB LYS A 82 6.104 -13.404 -2.692 1.00 0.00 C ATOM 1165 CG LYS A 82 5.035 -13.138 -3.731 1.00 0.00 C ATOM 1166 CD LYS A 82 3.729 -13.832 -3.396 1.00 0.00 C ATOM 1167 CE LYS A 82 2.673 -13.511 -4.426 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.849 -14.279 -5.689 1.00 0.00 N ATOM 0 H LYS A 82 5.340 -11.212 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 82 4.809 -13.886 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.953 -12.747 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.462 -14.427 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.865 -12.064 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.385 -13.477 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.885 -14.910 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.388 -13.519 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.689 -13.725 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.700 -12.444 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.098 -14.020 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.776 -14.057 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.796 -15.298 -5.486 1.00 0.00 H new ATOM 1182 N GLU A 83 7.313 -14.726 -0.399 1.00 0.00 N ATOM 1183 CA GLU A 83 8.385 -15.182 0.486 1.00 0.00 C ATOM 1184 C GLU A 83 9.695 -14.371 0.371 1.00 0.00 C ATOM 1185 O GLU A 83 10.370 -14.189 1.384 1.00 0.00 O ATOM 1186 CB GLU A 83 8.658 -16.669 0.279 1.00 0.00 C ATOM 1187 CG GLU A 83 7.461 -17.535 0.622 1.00 0.00 C ATOM 1188 CD GLU A 83 7.831 -18.975 0.895 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.383 -19.255 1.980 1.00 0.00 O ATOM 1190 OE2 GLU A 83 7.545 -19.842 0.044 1.00 0.00 O ATOM 0 H GLU A 83 7.039 -15.405 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 83 8.020 -15.011 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.941 -16.842 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.506 -16.968 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.960 -17.122 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.746 -17.499 -0.200 1.00 0.00 H new ATOM 1197 N PRO A 84 10.101 -13.845 -0.819 1.00 0.00 N ATOM 1198 CA PRO A 84 11.315 -13.045 -0.914 1.00 0.00 C ATOM 1199 C PRO A 84 11.044 -11.616 -0.499 1.00 0.00 C ATOM 1200 O PRO A 84 11.843 -10.709 -0.728 1.00 0.00 O ATOM 1201 CB PRO A 84 11.674 -13.105 -2.389 1.00 0.00 C ATOM 1202 CG PRO A 84 10.378 -13.273 -3.097 1.00 0.00 C ATOM 1203 CD PRO A 84 9.430 -13.938 -2.130 1.00 0.00 C ATOM 0 HA PRO A 84 12.112 -13.411 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.182 -12.195 -2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.348 -13.936 -2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.986 -12.308 -3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.504 -13.881 -3.993 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.463 -13.436 -2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.246 -14.976 -2.407 1.00 0.00 H new ATOM 1211 N THR A 85 9.873 -11.430 0.081 1.00 0.00 N ATOM 1212 CA THR A 85 9.449 -10.152 0.578 1.00 0.00 C ATOM 1213 C THR A 85 8.986 -10.327 2.030 1.00 0.00 C ATOM 1214 O THR A 85 7.794 -10.354 2.328 1.00 0.00 O ATOM 1215 CB THR A 85 8.320 -9.565 -0.316 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.089 -10.235 -0.102 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.665 -9.711 -1.790 1.00 0.00 C ATOM 0 H THR A 85 9.189 -12.174 0.217 1.00 0.00 H new ATOM 0 HA THR A 85 10.277 -9.443 0.549 1.00 0.00 H new ATOM 0 HB THR A 85 8.226 -8.513 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.230 -10.992 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.860 -9.293 -2.395 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.592 -9.178 -2.001 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.790 -10.766 -2.032 1.00 0.00 H new ATOM 1225 N PRO A 86 9.948 -10.469 2.961 1.00 0.00 N ATOM 1226 CA PRO A 86 9.674 -10.775 4.372 1.00 0.00 C ATOM 1227 C PRO A 86 8.985 -9.619 5.067 1.00 0.00 C ATOM 1228 O PRO A 86 8.546 -9.718 6.214 1.00 0.00 O ATOM 1229 CB PRO A 86 11.070 -10.979 4.977 1.00 0.00 C ATOM 1230 CG PRO A 86 11.993 -11.127 3.825 1.00 0.00 C ATOM 1231 CD PRO A 86 11.386 -10.325 2.720 1.00 0.00 C ATOM 0 HA PRO A 86 9.015 -11.637 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.354 -10.130 5.599 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.095 -11.863 5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.990 -10.763 4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.098 -12.173 3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.699 -9.282 2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.671 -10.707 1.740 1.00 0.00 H new ATOM 1239 N ASN A 87 8.903 -8.521 4.351 1.00 0.00 N ATOM 1240 CA ASN A 87 8.356 -7.294 4.868 1.00 0.00 C ATOM 1241 C ASN A 87 7.349 -6.748 3.876 1.00 0.00 C ATOM 1242 O ASN A 87 7.111 -7.357 2.832 1.00 0.00 O ATOM 1243 CB ASN A 87 9.475 -6.279 5.075 1.00 0.00 C ATOM 1244 CG ASN A 87 10.623 -6.818 5.908 1.00 0.00 C ATOM 1245 OD1 ASN A 87 10.573 -6.824 7.137 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.683 -7.241 5.231 1.00 0.00 N ATOM 0 H ASN A 87 9.218 -8.457 3.383 1.00 0.00 H new ATOM 0 HA ASN A 87 7.867 -7.483 5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.856 -5.964 4.103 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.067 -5.392 5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.501 -7.590 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.680 -7.217 4.211 1.00 0.00 H new ATOM 1253 N ALA A 88 6.785 -5.599 4.176 1.00 0.00 N ATOM 1254 CA ALA A 88 5.823 -4.979 3.289 1.00 0.00 C ATOM 1255 C ALA A 88 5.903 -3.474 3.401 1.00 0.00 C ATOM 1256 O ALA A 88 6.296 -2.942 4.439 1.00 0.00 O ATOM 1257 CB ALA A 88 4.420 -5.459 3.622 1.00 0.00 C ATOM 0 H ALA A 88 6.976 -5.073 5.029 1.00 0.00 H new ATOM 0 HA ALA A 88 6.056 -5.264 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.704 -4.987 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.368 -6.541 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.179 -5.194 4.652 1.00 0.00 H new ATOM 1263 N TYR A 89 5.567 -2.793 2.322 1.00 0.00 N ATOM 1264 CA TYR A 89 5.433 -1.355 2.358 1.00 0.00 C ATOM 1265 C TYR A 89 4.035 -1.060 2.894 1.00 0.00 C ATOM 1266 O TYR A 89 3.039 -1.201 2.176 1.00 0.00 O ATOM 1267 CB TYR A 89 5.606 -0.731 0.957 1.00 0.00 C ATOM 1268 CG TYR A 89 6.892 -1.044 0.200 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.836 -1.960 0.651 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.161 -0.374 -0.989 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.005 -2.180 -0.056 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.315 -0.595 -1.702 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.237 -1.493 -1.238 1.00 0.00 C ATOM 1274 OH TYR A 89 10.411 -1.678 -1.937 1.00 0.00 O ATOM 0 H TYR A 89 5.383 -3.215 1.412 1.00 0.00 H new ATOM 0 HA TYR A 89 6.207 -0.922 2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.766 -1.051 0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.531 0.352 1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.655 -2.507 1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.442 0.340 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.735 -2.885 0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.493 -0.062 -2.624 1.00 0.00 H new ATOM 0 HH TYR A 89 11.173 -1.456 -1.362 1.00 0.00 H new ATOM 1284 N TYR A 90 3.970 -0.676 4.162 1.00 0.00 N ATOM 1285 CA TYR A 90 2.704 -0.532 4.878 1.00 0.00 C ATOM 1286 C TYR A 90 1.958 -1.860 4.961 1.00 0.00 C ATOM 1287 O TYR A 90 2.559 -2.887 5.270 1.00 0.00 O ATOM 1288 CB TYR A 90 1.833 0.583 4.281 1.00 0.00 C ATOM 1289 CG TYR A 90 1.795 1.787 5.194 1.00 0.00 C ATOM 1290 CD1 TYR A 90 1.307 1.680 6.493 1.00 0.00 C ATOM 1291 CD2 TYR A 90 2.299 3.009 4.785 1.00 0.00 C ATOM 1292 CE1 TYR A 90 1.315 2.764 7.348 1.00 0.00 C ATOM 1293 CE2 TYR A 90 2.321 4.090 5.638 1.00 0.00 C ATOM 1294 CZ TYR A 90 1.825 3.968 6.916 1.00 0.00 C ATOM 1295 OH TYR A 90 1.856 5.047 7.766 1.00 0.00 O ATOM 0 H TYR A 90 4.791 -0.455 4.725 1.00 0.00 H new ATOM 0 HA TYR A 90 2.939 -0.231 5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.225 0.873 3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.821 0.212 4.120 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.916 0.734 6.838 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.681 3.117 3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.923 2.668 8.350 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.727 5.033 5.304 1.00 0.00 H new ATOM 0 HH TYR A 90 2.248 5.817 7.303 1.00 0.00 H new ATOM 1305 N GLU A 91 0.666 -1.849 4.683 1.00 0.00 N ATOM 1306 CA GLU A 91 -0.174 -3.024 4.919 1.00 0.00 C ATOM 1307 C GLU A 91 -0.030 -4.064 3.806 1.00 0.00 C ATOM 1308 O GLU A 91 -0.748 -5.062 3.779 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.639 -2.608 5.035 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.865 -1.351 5.858 1.00 0.00 C ATOM 1311 CD GLU A 91 -3.291 -1.248 6.365 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.740 -2.166 7.087 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.975 -0.261 6.030 1.00 0.00 O ATOM 0 H GLU A 91 0.172 -1.046 4.295 1.00 0.00 H new ATOM 0 HA GLU A 91 0.160 -3.478 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.041 -2.451 4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.204 -3.427 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.179 -1.345 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.632 -0.475 5.252 1.00 0.00 H new ATOM 1320 N GLY A 92 0.906 -3.835 2.900 1.00 0.00 N ATOM 1321 CA GLY A 92 1.008 -4.672 1.721 1.00 0.00 C ATOM 1322 C GLY A 92 0.584 -3.903 0.499 1.00 0.00 C ATOM 1323 O GLY A 92 0.455 -4.456 -0.596 1.00 0.00 O ATOM 0 H GLY A 92 1.597 -3.087 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.034 -5.021 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.382 -5.556 1.839 1.00 0.00 H new ATOM 1327 N VAL A 93 0.349 -2.610 0.710 1.00 0.00 N ATOM 1328 CA VAL A 93 0.001 -1.695 -0.353 1.00 0.00 C ATOM 1329 C VAL A 93 1.121 -1.669 -1.393 1.00 0.00 C ATOM 1330 O VAL A 93 0.898 -1.421 -2.582 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.244 -0.279 0.228 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.718 0.672 -0.845 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.249 -0.323 1.373 1.00 0.00 C ATOM 0 H VAL A 93 0.397 -2.174 1.631 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.917 -2.030 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 93 0.707 0.086 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.882 1.658 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.037 0.742 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.651 0.303 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.402 0.684 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.197 -0.720 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.868 -0.965 2.167 1.00 0.00 H new ATOM 1343 N PHE A 94 2.333 -1.910 -0.912 1.00 0.00 N ATOM 1344 CA PHE A 94 3.482 -2.180 -1.757 1.00 0.00 C ATOM 1345 C PHE A 94 4.392 -3.180 -1.030 1.00 0.00 C ATOM 1346 O PHE A 94 4.242 -3.374 0.171 1.00 0.00 O ATOM 1347 CB PHE A 94 4.292 -0.915 -2.189 1.00 0.00 C ATOM 1348 CG PHE A 94 4.014 0.451 -1.541 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.059 0.668 -0.550 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.758 1.545 -1.967 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.857 1.928 -0.013 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.561 2.803 -1.432 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.609 2.996 -0.456 1.00 0.00 C ATOM 0 H PHE A 94 2.545 -1.923 0.086 1.00 0.00 H new ATOM 0 HA PHE A 94 3.099 -2.592 -2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.347 -1.138 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.152 -0.795 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.466 -0.161 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.507 1.408 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.110 2.075 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.154 3.636 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.452 3.980 -0.039 1.00 0.00 H new ATOM 1363 N CYS A 95 5.296 -3.848 -1.744 1.00 0.00 N ATOM 1364 CA CYS A 95 6.262 -4.760 -1.104 1.00 0.00 C ATOM 1365 C CYS A 95 7.586 -4.746 -1.876 1.00 0.00 C ATOM 1366 O CYS A 95 7.673 -4.144 -2.945 1.00 0.00 O ATOM 1367 CB CYS A 95 5.726 -6.205 -1.021 1.00 0.00 C ATOM 1368 SG CYS A 95 3.910 -6.360 -0.850 1.00 0.00 S ATOM 0 H CYS A 95 5.386 -3.781 -2.758 1.00 0.00 H new ATOM 0 HA CYS A 95 6.422 -4.405 -0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.037 -6.742 -1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.198 -6.701 -0.173 1.00 0.00 H new ATOM 1373 N SER A 96 8.624 -5.386 -1.326 1.00 0.00 N ATOM 1374 CA SER A 96 9.935 -5.421 -1.983 1.00 0.00 C ATOM 1375 C SER A 96 10.475 -6.835 -2.035 1.00 0.00 C ATOM 1376 O SER A 96 10.498 -7.529 -1.022 1.00 0.00 O ATOM 1377 CB SER A 96 10.936 -4.564 -1.224 1.00 0.00 C ATOM 1378 OG SER A 96 11.836 -3.910 -2.101 1.00 0.00 O ATOM 0 H SER A 96 8.583 -5.882 -0.436 1.00 0.00 H new ATOM 0 HA SER A 96 9.801 -5.037 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.403 -3.822 -0.630 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.495 -5.188 -0.527 1.00 0.00 H new ATOM 0 HG SER A 96 11.434 -3.075 -2.419 1.00 0.00 H new ATOM 1384 N SER A 97 10.936 -7.241 -3.201 1.00 0.00 N ATOM 1385 CA SER A 97 11.493 -8.566 -3.382 1.00 0.00 C ATOM 1386 C SER A 97 13.014 -8.539 -3.270 1.00 0.00 C ATOM 1387 O SER A 97 13.620 -7.464 -3.271 1.00 0.00 O ATOM 1388 CB SER A 97 11.066 -9.123 -4.741 1.00 0.00 C ATOM 1389 OG SER A 97 11.323 -8.185 -5.778 1.00 0.00 O ATOM 0 H SER A 97 10.935 -6.667 -4.044 1.00 0.00 H new ATOM 0 HA SER A 97 11.112 -9.215 -2.594 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.602 -10.050 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.004 -9.367 -4.721 1.00 0.00 H new ATOM 0 HG SER A 97 11.044 -8.563 -6.638 1.00 0.00 H new ATOM 1395 N SER A 98 13.609 -9.727 -3.143 1.00 0.00 N ATOM 1396 CA SER A 98 15.063 -9.890 -3.120 1.00 0.00 C ATOM 1397 C SER A 98 15.652 -9.378 -1.810 1.00 0.00 C ATOM 1398 O SER A 98 16.321 -8.345 -1.766 1.00 0.00 O ATOM 1399 CB SER A 98 15.706 -9.178 -4.317 1.00 0.00 C ATOM 1400 OG SER A 98 15.131 -9.627 -5.537 1.00 0.00 O ATOM 0 H SER A 98 13.095 -10.604 -3.053 1.00 0.00 H new ATOM 0 HA SER A 98 15.283 -10.955 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.572 -8.101 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.780 -9.366 -4.324 1.00 0.00 H new ATOM 0 HG SER A 98 15.553 -9.160 -6.289 1.00 0.00 H new ATOM 1406 N SER A 99 15.395 -10.113 -0.743 1.00 0.00 N ATOM 1407 CA SER A 99 15.890 -9.752 0.569 1.00 0.00 C ATOM 1408 C SER A 99 16.905 -10.790 1.050 1.00 0.00 C ATOM 1409 O SER A 99 16.642 -11.475 2.062 1.00 0.00 O ATOM 1410 CB SER A 99 14.704 -9.651 1.522 1.00 0.00 C ATOM 1411 OG SER A 99 13.881 -10.796 1.400 1.00 0.00 O ATOM 1412 OXT SER A 99 17.952 -10.943 0.383 1.00 0.00 O ATOM 0 H SER A 99 14.842 -10.970 -0.763 1.00 0.00 H new ATOM 0 HA SER A 99 16.399 -8.789 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.059 -9.557 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.126 -8.753 1.301 1.00 0.00 H new ATOM 0 HG SER A 99 13.353 -10.733 0.577 1.00 0.00 H new