USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 667 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 62 THR OG1 : rot -56:sc= 1.72 USER MOD Set 1.2: A 81 CYS SG : rot -76:sc= -0.782 USER MOD Set 2.1: A 48 ASN : amide:sc= -0.257 X(o=-6.1,f=-5.8) USER MOD Set 2.2: A 73 ASN : amide:sc= -5.85! C(o=-6.1!,f=-6.4!) USER MOD Set 3.1: A 52 CYS SG : rot 107:sc= -0.791! USER MOD Set 3.2: A 56 ASN : amide:sc= -0.752 K(o=-1.3,f=-4.4!) USER MOD Set 3.3: A 65 CYS SG : rot -138:sc= 0.198! USER MOD Set 4.1: A 32 CYS SG : rot 140:sc= 0.918 USER MOD Set 4.2: A 44 CYS SG : rot -90:sc= -4.18! USER MOD Set 5.1: A 8 CYS SG : rot 16:sc= 0.128 USER MOD Set 5.2: A 11 THR OG1 : rot 20:sc= 0.812 USER MOD Set 5.3: A 20 CYS SG : rot 24:sc= 0.0625 USER MOD Set 5.4: A 89 TYR OH : rot -100:sc= 0.0995 USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= 1.25 (180deg=0.722) USER MOD Single : A 6 HIS : no HD1:sc= -5.97! C(o=-6!,f=-8.4!) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.113) USER MOD Single : A 17 ASN : amide:sc= 0.0114 K(o=0.011,f=-1) USER MOD Single : A 27 THR OG1 : rot 101:sc= 1.32 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 1.16 (180deg=0.155!) USER MOD Single : A 36 TYR OH : 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+ 161:sc= -0.0294 (180deg=-0.204) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 43 THR OG1 : rot -150:sc= -0.901 USER MOD Single : A 47 ASN : amide:sc= -3.96! C(o=-4!,f=-5.7!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -75:sc= 0.305 USER MOD Single : A 55 ASN : amide:sc= -1.96 X(o=-2,f=-1.6) USER MOD Single : A 59 CYS SG : rot -170:sc= -6.73! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 67 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 74 SER OG : rot -33:sc= 0.208 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -135:sc= 1.28 (180deg=-1.15) USER MOD Single : A 79 CYS SG : rot 74:sc= -2.7 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc=-0.00767 (180deg=-0.117) USER MOD Single : A 85 THR OG1 : rot 4:sc= 0.435 USER MOD Single : A 87 ASN : amide:sc= -2.69! C(o=-2.7!,f=-2.9!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -63:sc= 1.19 USER MOD Single : A 96 SER OG : rot 149:sc= 1.45 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.096 -8.295 4.293 1.00 0.00 N ATOM 27 CA ASP A 3 -11.683 -8.542 2.989 1.00 0.00 C ATOM 28 C ASP A 3 -11.686 -7.258 2.172 1.00 0.00 C ATOM 29 O ASP A 3 -12.524 -6.384 2.350 1.00 0.00 O ATOM 30 CB ASP A 3 -13.082 -9.145 3.156 1.00 0.00 C ATOM 31 CG ASP A 3 -14.102 -8.717 2.134 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.796 -8.736 0.929 1.00 0.00 O ATOM 33 OD2 ASP A 3 -15.226 -8.366 2.546 1.00 0.00 O ATOM 0 HA ASP A 3 -11.086 -9.268 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.996 -10.231 3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.455 -8.884 4.146 1.00 0.00 H new ATOM 38 N PRO A 4 -10.675 -7.151 1.308 1.00 0.00 N ATOM 39 CA PRO A 4 -10.416 -6.044 0.380 1.00 0.00 C ATOM 40 C PRO A 4 -11.610 -5.330 -0.269 1.00 0.00 C ATOM 41 O PRO A 4 -11.419 -4.216 -0.716 1.00 0.00 O ATOM 42 CB PRO A 4 -9.640 -6.779 -0.705 1.00 0.00 C ATOM 43 CG PRO A 4 -8.821 -7.771 0.018 1.00 0.00 C ATOM 44 CD PRO A 4 -9.558 -8.106 1.273 1.00 0.00 C ATOM 0 HA PRO A 4 -9.942 -5.222 0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.313 -7.263 -1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.015 -6.093 -1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.668 -8.663 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.835 -7.366 0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.916 -9.136 1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.918 -8.001 2.149 1.00 0.00 H new ATOM 52 N LYS A 5 -12.808 -5.932 -0.327 1.00 0.00 N ATOM 53 CA LYS A 5 -14.007 -5.323 -1.011 1.00 0.00 C ATOM 54 C LYS A 5 -14.321 -3.838 -0.652 1.00 0.00 C ATOM 55 O LYS A 5 -15.344 -3.302 -1.065 1.00 0.00 O ATOM 56 CB LYS A 5 -15.239 -6.156 -0.721 1.00 0.00 C ATOM 57 CG LYS A 5 -15.535 -6.208 0.748 1.00 0.00 C ATOM 58 CD LYS A 5 -16.552 -5.172 1.185 1.00 0.00 C ATOM 59 CE LYS A 5 -17.275 -5.611 2.448 1.00 0.00 C ATOM 60 NZ LYS A 5 -16.339 -6.143 3.476 1.00 0.00 N ATOM 0 H LYS A 5 -12.994 -6.845 0.088 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.742 -5.321 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.095 -5.738 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.093 -7.168 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.904 -7.201 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.610 -6.058 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.052 -4.220 1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.276 -5.009 0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.825 -4.766 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.009 -6.376 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.789 -6.096 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.104 -7.132 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.469 -5.574 3.481 1.00 0.00 H new ATOM 74 N HIS A 6 -13.448 -3.207 0.104 1.00 0.00 N ATOM 75 CA HIS A 6 -13.609 -1.851 0.630 1.00 0.00 C ATOM 76 C HIS A 6 -13.698 -0.819 -0.480 1.00 0.00 C ATOM 77 O HIS A 6 -14.198 0.283 -0.257 1.00 0.00 O ATOM 78 CB HIS A 6 -12.392 -1.510 1.479 1.00 0.00 C ATOM 79 CG HIS A 6 -12.094 -2.447 2.598 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.225 -2.149 3.618 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.519 -3.695 2.823 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.133 -3.183 4.426 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.917 -4.139 3.975 1.00 0.00 N ATOM 0 H HIS A 6 -12.566 -3.636 0.386 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.532 -1.826 1.209 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.520 -1.465 0.827 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.531 -0.512 1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.211 -4.253 2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.517 -3.238 5.311 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.054 -5.053 4.407 1.00 0.00 H new ATOM 92 N VAL A 7 -13.193 -1.200 -1.656 1.00 0.00 N ATOM 93 CA VAL A 7 -13.144 -0.331 -2.850 1.00 0.00 C ATOM 94 C VAL A 7 -12.620 1.055 -2.532 1.00 0.00 C ATOM 95 O VAL A 7 -11.936 1.256 -1.535 1.00 0.00 O ATOM 96 CB VAL A 7 -14.521 -0.245 -3.563 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.068 -1.639 -3.789 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.532 0.601 -2.798 1.00 0.00 C ATOM 0 H VAL A 7 -12.801 -2.128 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.439 -0.800 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.359 0.251 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.034 -1.574 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.375 -2.206 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.189 -2.142 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.475 0.624 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.696 0.168 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.150 1.616 -2.691 1.00 0.00 H new ATOM 108 N CYS A 8 -12.851 1.976 -3.446 1.00 0.00 N ATOM 109 CA CYS A 8 -12.532 3.373 -3.219 1.00 0.00 C ATOM 110 C CYS A 8 -13.431 4.259 -4.069 1.00 0.00 C ATOM 111 O CYS A 8 -13.846 3.870 -5.161 1.00 0.00 O ATOM 112 CB CYS A 8 -11.056 3.633 -3.511 1.00 0.00 C ATOM 113 SG CYS A 8 -10.614 3.620 -5.268 1.00 0.00 S ATOM 0 H CYS A 8 -13.261 1.781 -4.359 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.712 3.616 -2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.782 4.600 -3.089 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.460 2.880 -2.996 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.691 3.732 -5.987 1.00 0.00 H new ATOM 119 N VAL A 9 -13.760 5.433 -3.543 1.00 0.00 N ATOM 120 CA VAL A 9 -14.654 6.353 -4.233 1.00 0.00 C ATOM 121 C VAL A 9 -13.954 7.672 -4.519 1.00 0.00 C ATOM 122 O VAL A 9 -13.845 8.104 -5.665 1.00 0.00 O ATOM 123 CB VAL A 9 -15.918 6.653 -3.400 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.893 7.513 -4.194 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.586 5.365 -2.938 1.00 0.00 C ATOM 0 H VAL A 9 -13.421 5.769 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.942 5.867 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.614 7.210 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.777 7.713 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.414 8.455 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -17.186 6.987 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.474 5.605 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.873 4.772 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.890 4.794 -2.323 1.00 0.00 H new ATOM 135 N ASP A 10 -13.481 8.306 -3.460 1.00 0.00 N ATOM 136 CA ASP A 10 -12.863 9.618 -3.567 1.00 0.00 C ATOM 137 C ASP A 10 -11.373 9.464 -3.801 1.00 0.00 C ATOM 138 O ASP A 10 -10.900 9.579 -4.928 1.00 0.00 O ATOM 139 CB ASP A 10 -13.086 10.430 -2.288 1.00 0.00 C ATOM 140 CG ASP A 10 -14.410 10.140 -1.615 1.00 0.00 C ATOM 141 OD1 ASP A 10 -14.503 9.104 -0.919 1.00 0.00 O ATOM 142 OD2 ASP A 10 -15.341 10.961 -1.741 1.00 0.00 O ATOM 0 H ASP A 10 -13.513 7.932 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.321 10.144 -4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.277 10.220 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.033 11.492 -2.527 1.00 0.00 H new ATOM 147 N THR A 11 -10.648 9.199 -2.719 1.00 0.00 N ATOM 148 CA THR A 11 -9.200 8.994 -2.753 1.00 0.00 C ATOM 149 C THR A 11 -8.467 10.131 -3.473 1.00 0.00 C ATOM 150 O THR A 11 -7.432 9.926 -4.106 1.00 0.00 O ATOM 151 CB THR A 11 -8.828 7.620 -3.350 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.416 7.434 -4.646 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.290 6.508 -2.418 1.00 0.00 C ATOM 0 H THR A 11 -11.050 9.119 -1.785 1.00 0.00 H new ATOM 0 HA THR A 11 -8.863 9.004 -1.716 1.00 0.00 H new ATOM 0 HB THR A 11 -7.744 7.586 -3.459 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.657 8.305 -5.024 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.024 5.541 -2.845 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.806 6.621 -1.448 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.371 6.564 -2.292 1.00 0.00 H new ATOM 161 N ARG A 12 -9.026 11.336 -3.359 1.00 0.00 N ATOM 162 CA ARG A 12 -8.368 12.550 -3.824 1.00 0.00 C ATOM 163 C ARG A 12 -7.465 13.069 -2.722 1.00 0.00 C ATOM 164 O ARG A 12 -6.586 13.902 -2.934 1.00 0.00 O ATOM 165 CB ARG A 12 -9.407 13.600 -4.179 1.00 0.00 C ATOM 166 CG ARG A 12 -10.107 13.321 -5.490 1.00 0.00 C ATOM 167 CD ARG A 12 -11.192 14.342 -5.774 1.00 0.00 C ATOM 168 NE ARG A 12 -10.702 15.718 -5.649 1.00 0.00 N ATOM 169 CZ ARG A 12 -10.984 16.694 -6.512 1.00 0.00 C ATOM 170 NH1 ARG A 12 -11.711 16.440 -7.595 1.00 0.00 N ATOM 171 NH2 ARG A 12 -10.528 17.920 -6.295 1.00 0.00 N ATOM 0 H ARG A 12 -9.944 11.494 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.777 12.331 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.149 13.653 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.925 14.576 -4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.378 13.329 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.544 12.323 -5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.581 14.186 -6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.022 14.189 -5.084 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.108 15.943 -4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.055 15.496 -7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.925 17.189 -8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.962 18.115 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.743 18.668 -6.954 1.00 0.00 H new ATOM 185 N ASP A 13 -7.721 12.541 -1.538 1.00 0.00 N ATOM 186 CA ASP A 13 -6.986 12.866 -0.323 1.00 0.00 C ATOM 187 C ASP A 13 -5.682 12.086 -0.292 1.00 0.00 C ATOM 188 O ASP A 13 -4.898 12.178 0.654 1.00 0.00 O ATOM 189 CB ASP A 13 -7.837 12.466 0.884 1.00 0.00 C ATOM 190 CG ASP A 13 -9.320 12.666 0.624 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.930 11.800 -0.048 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.879 13.696 1.059 1.00 0.00 O ATOM 0 H ASP A 13 -8.463 11.858 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.769 13.934 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.649 11.421 1.130 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.538 13.056 1.750 1.00 0.00 H new ATOM 197 N ILE A 14 -5.484 11.304 -1.341 1.00 0.00 N ATOM 198 CA ILE A 14 -4.369 10.387 -1.443 1.00 0.00 C ATOM 199 C ILE A 14 -3.168 11.076 -2.108 1.00 0.00 C ATOM 200 O ILE A 14 -3.223 11.495 -3.267 1.00 0.00 O ATOM 201 CB ILE A 14 -4.798 9.121 -2.227 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.573 8.119 -1.327 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.585 8.438 -2.860 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.693 8.706 -0.471 1.00 0.00 C ATOM 0 H ILE A 14 -6.102 11.291 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.063 10.081 -0.442 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.473 9.445 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.000 7.345 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.858 7.629 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.910 7.552 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.096 9.128 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.883 8.146 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.159 7.912 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.280 9.457 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.440 9.169 -1.116 1.00 0.00 H new ATOM 216 N PRO A 15 -2.093 11.232 -1.328 1.00 0.00 N ATOM 217 CA PRO A 15 -0.868 11.951 -1.725 1.00 0.00 C ATOM 218 C PRO A 15 -0.009 11.262 -2.789 1.00 0.00 C ATOM 219 O PRO A 15 -0.356 10.208 -3.329 1.00 0.00 O ATOM 220 CB PRO A 15 -0.061 12.031 -0.428 1.00 0.00 C ATOM 221 CG PRO A 15 -1.007 11.674 0.660 1.00 0.00 C ATOM 222 CD PRO A 15 -2.014 10.759 0.051 1.00 0.00 C ATOM 0 HA PRO A 15 -1.145 12.902 -2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.785 11.345 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.344 13.032 -0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.486 11.187 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.486 12.564 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.697 9.717 0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.977 10.825 0.556 1.00 0.00 H new ATOM 230 N LYS A 16 1.126 11.901 -3.069 1.00 0.00 N ATOM 231 CA LYS A 16 2.127 11.412 -4.006 1.00 0.00 C ATOM 232 C LYS A 16 2.734 10.095 -3.560 1.00 0.00 C ATOM 233 O LYS A 16 2.980 9.897 -2.370 1.00 0.00 O ATOM 234 CB LYS A 16 3.243 12.442 -4.113 1.00 0.00 C ATOM 235 CG LYS A 16 3.632 12.771 -5.526 1.00 0.00 C ATOM 236 CD LYS A 16 4.365 11.624 -6.203 1.00 0.00 C ATOM 237 CE LYS A 16 4.790 11.975 -7.624 1.00 0.00 C ATOM 238 NZ LYS A 16 3.626 12.264 -8.505 1.00 0.00 N ATOM 0 H LYS A 16 1.377 12.792 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 16 1.634 11.252 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.930 13.357 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.119 12.071 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.738 13.017 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.266 13.657 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.245 11.360 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.721 10.745 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.449 12.843 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.365 11.149 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.946 12.330 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.927 11.499 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.191 13.165 -8.221 1.00 0.00 H new ATOM 252 N ASN A 17 2.971 9.205 -4.529 1.00 0.00 N ATOM 253 CA ASN A 17 3.671 7.941 -4.291 1.00 0.00 C ATOM 254 C ASN A 17 2.871 7.065 -3.353 1.00 0.00 C ATOM 255 O ASN A 17 3.361 6.058 -2.832 1.00 0.00 O ATOM 256 CB ASN A 17 5.063 8.202 -3.715 1.00 0.00 C ATOM 257 CG ASN A 17 5.949 8.979 -4.667 1.00 0.00 C ATOM 258 OD1 ASN A 17 6.008 8.689 -5.861 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.604 10.004 -4.150 1.00 0.00 N ATOM 0 H ASN A 17 2.683 9.341 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 17 3.781 7.422 -5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.968 8.754 -2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.538 7.250 -3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.187 10.590 -4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.527 10.209 -3.154 1.00 0.00 H new ATOM 266 N ALA A 18 1.638 7.469 -3.142 1.00 0.00 N ATOM 267 CA ALA A 18 0.739 6.758 -2.280 1.00 0.00 C ATOM 268 C ALA A 18 -0.390 6.174 -3.096 1.00 0.00 C ATOM 269 O ALA A 18 -0.951 6.834 -3.969 1.00 0.00 O ATOM 270 CB ALA A 18 0.197 7.688 -1.204 1.00 0.00 C ATOM 0 H ALA A 18 1.235 8.304 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 18 1.276 5.946 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.484 7.137 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.024 8.080 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.337 8.514 -1.673 1.00 0.00 H new ATOM 276 N GLY A 19 -0.697 4.930 -2.829 1.00 0.00 N ATOM 277 CA GLY A 19 -1.808 4.291 -3.481 1.00 0.00 C ATOM 278 C GLY A 19 -3.110 4.664 -2.810 1.00 0.00 C ATOM 279 O GLY A 19 -3.108 5.104 -1.658 1.00 0.00 O ATOM 0 H GLY A 19 -0.193 4.341 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.837 4.584 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.677 3.209 -3.456 1.00 0.00 H new ATOM 283 N CYS A 20 -4.216 4.510 -3.502 1.00 0.00 N ATOM 284 CA CYS A 20 -5.481 4.928 -2.954 1.00 0.00 C ATOM 285 C CYS A 20 -6.310 3.732 -2.496 1.00 0.00 C ATOM 286 O CYS A 20 -6.371 2.707 -3.176 1.00 0.00 O ATOM 287 CB CYS A 20 -6.231 5.753 -3.988 1.00 0.00 C ATOM 288 SG CYS A 20 -6.652 4.855 -5.499 1.00 0.00 S ATOM 0 H CYS A 20 -4.264 4.102 -4.436 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.297 5.544 -2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.149 6.131 -3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.625 6.620 -4.252 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.705 3.581 -5.246 1.00 0.00 H new ATOM 294 N PHE A 21 -6.920 3.863 -1.323 1.00 0.00 N ATOM 295 CA PHE A 21 -7.729 2.797 -0.751 1.00 0.00 C ATOM 296 C PHE A 21 -8.862 3.389 0.085 1.00 0.00 C ATOM 297 O PHE A 21 -8.775 4.522 0.540 1.00 0.00 O ATOM 298 CB PHE A 21 -6.833 1.893 0.108 1.00 0.00 C ATOM 299 CG PHE A 21 -7.514 0.700 0.725 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.177 -0.233 -0.058 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.465 0.500 2.095 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.782 -1.340 0.520 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.068 -0.603 2.670 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.722 -1.522 1.878 1.00 0.00 C ATOM 0 H PHE A 21 -6.868 4.704 -0.748 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.174 2.203 -1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.007 1.539 -0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.399 2.495 0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.223 -0.097 -1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.950 1.214 2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.300 -2.058 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.027 -0.745 3.740 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.188 -2.387 2.327 1.00 0.00 H new ATOM 314 N ARG A 22 -9.952 2.661 0.203 1.00 0.00 N ATOM 315 CA ARG A 22 -11.006 2.980 1.151 1.00 0.00 C ATOM 316 C ARG A 22 -11.151 1.803 2.074 1.00 0.00 C ATOM 317 O ARG A 22 -10.861 0.695 1.671 1.00 0.00 O ATOM 318 CB ARG A 22 -12.344 3.216 0.447 1.00 0.00 C ATOM 319 CG ARG A 22 -13.410 3.812 1.343 1.00 0.00 C ATOM 320 CD ARG A 22 -13.894 5.136 0.792 1.00 0.00 C ATOM 321 NE ARG A 22 -14.729 5.867 1.743 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.983 6.249 1.502 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.592 5.872 0.388 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.632 6.986 2.390 1.00 0.00 N ATOM 0 H ARG A 22 -10.136 1.828 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.742 3.892 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.185 3.880 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.706 2.268 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.248 3.120 1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.010 3.955 2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.034 5.749 0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.460 4.960 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.326 6.100 2.650 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.101 5.287 -0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.552 6.166 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.172 7.261 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.592 7.279 2.206 1.00 0.00 H new ATOM 338 N ASP A 23 -11.505 2.023 3.317 1.00 0.00 N ATOM 339 CA ASP A 23 -11.931 0.916 4.151 1.00 0.00 C ATOM 340 C ASP A 23 -13.449 0.885 4.125 1.00 0.00 C ATOM 341 O ASP A 23 -14.079 1.930 3.958 1.00 0.00 O ATOM 342 CB ASP A 23 -11.422 1.065 5.584 1.00 0.00 C ATOM 343 CG ASP A 23 -11.461 -0.251 6.334 1.00 0.00 C ATOM 344 OD1 ASP A 23 -12.563 -0.707 6.691 1.00 0.00 O ATOM 345 OD2 ASP A 23 -10.382 -0.849 6.540 1.00 0.00 O ATOM 0 H ASP A 23 -11.509 2.937 3.770 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.517 -0.017 3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.400 1.445 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.029 1.802 6.111 1.00 0.00 H new ATOM 350 N ASP A 24 -14.049 -0.294 4.280 1.00 0.00 N ATOM 351 CA ASP A 24 -15.506 -0.406 4.228 1.00 0.00 C ATOM 352 C ASP A 24 -16.106 0.206 5.485 1.00 0.00 C ATOM 353 O ASP A 24 -17.325 0.321 5.626 1.00 0.00 O ATOM 354 CB ASP A 24 -15.979 -1.852 4.024 1.00 0.00 C ATOM 355 CG ASP A 24 -15.634 -2.775 5.169 1.00 0.00 C ATOM 356 OD1 ASP A 24 -14.495 -3.270 5.198 1.00 0.00 O ATOM 357 OD2 ASP A 24 -16.513 -3.040 6.017 1.00 0.00 O ATOM 0 H ASP A 24 -13.558 -1.173 4.440 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.857 0.147 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -17.060 -1.854 3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.536 -2.243 3.108 1.00 0.00 H new ATOM 362 N ASP A 25 -15.215 0.601 6.388 1.00 0.00 N ATOM 363 CA ASP A 25 -15.558 1.440 7.531 1.00 0.00 C ATOM 364 C ASP A 25 -16.037 2.808 7.047 1.00 0.00 C ATOM 365 O ASP A 25 -16.853 3.467 7.691 1.00 0.00 O ATOM 366 CB ASP A 25 -14.313 1.607 8.414 1.00 0.00 C ATOM 367 CG ASP A 25 -14.449 2.700 9.455 1.00 0.00 C ATOM 368 OD1 ASP A 25 -15.005 2.425 10.541 1.00 0.00 O ATOM 369 OD2 ASP A 25 -13.980 3.831 9.201 1.00 0.00 O ATOM 0 H ASP A 25 -14.228 0.346 6.347 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.358 0.972 8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.105 0.662 8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.454 1.826 7.779 1.00 0.00 H new ATOM 374 N GLY A 26 -15.547 3.206 5.881 1.00 0.00 N ATOM 375 CA GLY A 26 -15.900 4.491 5.314 1.00 0.00 C ATOM 376 C GLY A 26 -14.702 5.403 5.232 1.00 0.00 C ATOM 377 O GLY A 26 -14.697 6.382 4.487 1.00 0.00 O ATOM 0 H GLY A 26 -14.904 2.654 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.320 4.348 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.674 4.959 5.922 1.00 0.00 H new ATOM 381 N THR A 27 -13.683 5.073 5.996 1.00 0.00 N ATOM 382 CA THR A 27 -12.447 5.829 5.999 1.00 0.00 C ATOM 383 C THR A 27 -11.606 5.503 4.772 1.00 0.00 C ATOM 384 O THR A 27 -11.352 4.339 4.490 1.00 0.00 O ATOM 385 CB THR A 27 -11.643 5.529 7.277 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.423 5.870 8.432 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.327 6.293 7.301 1.00 0.00 C ATOM 0 H THR A 27 -13.687 4.275 6.632 1.00 0.00 H new ATOM 0 HA THR A 27 -12.699 6.889 5.973 1.00 0.00 H new ATOM 0 HB THR A 27 -11.414 4.463 7.288 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.807 5.056 8.820 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.786 6.057 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.724 6.006 6.439 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.527 7.364 7.263 1.00 0.00 H new ATOM 395 N LYS A 28 -11.200 6.524 4.024 1.00 0.00 N ATOM 396 CA LYS A 28 -10.272 6.304 2.930 1.00 0.00 C ATOM 397 C LYS A 28 -8.879 6.293 3.502 1.00 0.00 C ATOM 398 O LYS A 28 -8.603 6.926 4.523 1.00 0.00 O ATOM 399 CB LYS A 28 -10.341 7.382 1.842 1.00 0.00 C ATOM 400 CG LYS A 28 -11.672 8.084 1.750 1.00 0.00 C ATOM 401 CD LYS A 28 -11.593 9.327 0.888 1.00 0.00 C ATOM 402 CE LYS A 28 -12.519 10.425 1.401 1.00 0.00 C ATOM 403 NZ LYS A 28 -13.931 9.967 1.521 1.00 0.00 N ATOM 0 H LYS A 28 -11.494 7.492 4.154 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.540 5.359 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.564 8.123 2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.117 6.924 0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.415 7.402 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.010 8.356 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.567 9.694 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.859 9.076 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.167 10.768 2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.473 11.280 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.569 10.784 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.140 9.284 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.071 9.513 2.446 1.00 0.00 H new ATOM 417 N GLU A 29 -8.012 5.580 2.851 1.00 0.00 N ATOM 418 CA GLU A 29 -6.654 5.485 3.281 1.00 0.00 C ATOM 419 C GLU A 29 -5.716 5.650 2.119 1.00 0.00 C ATOM 420 O GLU A 29 -6.109 5.606 0.951 1.00 0.00 O ATOM 421 CB GLU A 29 -6.375 4.149 3.941 1.00 0.00 C ATOM 422 CG GLU A 29 -7.170 3.902 5.210 1.00 0.00 C ATOM 423 CD GLU A 29 -6.830 2.576 5.857 1.00 0.00 C ATOM 424 OE1 GLU A 29 -5.760 2.482 6.493 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.622 1.622 5.728 1.00 0.00 O ATOM 0 H GLU A 29 -8.227 5.049 2.007 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.492 6.283 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.592 3.353 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.312 4.087 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.978 4.708 5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.235 3.928 4.979 1.00 0.00 H new ATOM 432 N TRP A 30 -4.474 5.843 2.462 1.00 0.00 N ATOM 433 CA TRP A 30 -3.414 5.904 1.506 1.00 0.00 C ATOM 434 C TRP A 30 -2.164 5.366 2.155 1.00 0.00 C ATOM 435 O TRP A 30 -1.961 5.519 3.361 1.00 0.00 O ATOM 436 CB TRP A 30 -3.198 7.328 1.027 1.00 0.00 C ATOM 437 CG TRP A 30 -3.056 8.307 2.139 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.058 8.842 2.887 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.838 8.866 2.626 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.538 9.742 3.789 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.172 9.770 3.647 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.494 8.697 2.280 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.207 10.508 4.326 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.460 9.422 2.956 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.099 10.320 3.965 1.00 0.00 C ATOM 0 H TRP A 30 -4.169 5.964 3.428 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.670 5.304 0.633 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.304 7.363 0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.037 7.623 0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.105 8.597 2.788 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.078 10.297 4.453 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.210 8.010 1.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.479 11.202 5.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.502 9.296 2.704 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.871 10.880 4.472 1.00 0.00 H new ATOM 456 N ARG A 31 -1.356 4.719 1.369 1.00 0.00 N ATOM 457 CA ARG A 31 -0.160 4.085 1.852 1.00 0.00 C ATOM 458 C ARG A 31 0.941 4.363 0.898 1.00 0.00 C ATOM 459 O ARG A 31 0.708 4.811 -0.219 1.00 0.00 O ATOM 460 CB ARG A 31 -0.334 2.583 2.016 1.00 0.00 C ATOM 461 CG ARG A 31 -1.452 2.217 2.958 1.00 0.00 C ATOM 462 CD ARG A 31 -1.712 0.729 2.957 1.00 0.00 C ATOM 463 NE ARG A 31 -2.801 0.352 3.857 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.570 -0.711 3.655 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.340 -1.491 2.614 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.556 -1.000 4.496 1.00 0.00 N ATOM 0 H ARG A 31 -1.507 4.614 0.366 1.00 0.00 H new ATOM 0 HA ARG A 31 0.071 4.491 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.528 2.137 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.598 2.153 2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.200 2.543 3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.360 2.746 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.953 0.406 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.803 0.204 3.251 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.978 0.932 4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.577 -1.274 1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.926 -2.310 2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.728 -0.403 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.142 -1.819 4.333 1.00 0.00 H new ATOM 480 N CYS A 32 2.117 4.025 1.302 1.00 0.00 N ATOM 481 CA CYS A 32 3.286 4.409 0.574 1.00 0.00 C ATOM 482 C CYS A 32 3.776 3.178 -0.114 1.00 0.00 C ATOM 483 O CYS A 32 3.915 2.127 0.499 1.00 0.00 O ATOM 484 CB CYS A 32 4.346 4.923 1.537 1.00 0.00 C ATOM 485 SG CYS A 32 3.680 5.599 3.080 1.00 0.00 S ATOM 0 H CYS A 32 2.300 3.477 2.143 1.00 0.00 H new ATOM 0 HA CYS A 32 3.068 5.202 -0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.030 4.109 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.931 5.695 1.038 1.00 0.00 H new ATOM 0 HG CYS A 32 4.435 5.237 4.074 1.00 0.00 H new ATOM 491 N LEU A 33 3.934 3.344 -1.415 1.00 0.00 N ATOM 492 CA LEU A 33 4.220 2.274 -2.363 1.00 0.00 C ATOM 493 C LEU A 33 5.297 1.302 -1.901 1.00 0.00 C ATOM 494 O LEU A 33 5.938 1.496 -0.880 1.00 0.00 O ATOM 495 CB LEU A 33 4.597 2.908 -3.692 1.00 0.00 C ATOM 496 CG LEU A 33 3.504 2.839 -4.756 1.00 0.00 C ATOM 497 CD1 LEU A 33 2.115 2.870 -4.123 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.655 3.993 -5.724 1.00 0.00 C ATOM 0 H LEU A 33 3.865 4.259 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 33 3.320 1.666 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.856 3.953 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.491 2.416 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 33 3.611 1.897 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.358 2.820 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.002 2.018 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.993 3.795 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.872 3.938 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.571 4.935 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.631 3.938 -6.207 1.00 0.00 H new ATOM 510 N LEU A 34 5.493 0.256 -2.674 1.00 0.00 N ATOM 511 CA LEU A 34 6.395 -0.811 -2.284 1.00 0.00 C ATOM 512 C LEU A 34 7.812 -0.299 -2.102 1.00 0.00 C ATOM 513 O LEU A 34 8.463 0.127 -3.056 1.00 0.00 O ATOM 514 CB LEU A 34 6.335 -1.938 -3.306 1.00 0.00 C ATOM 515 CG LEU A 34 4.932 -2.498 -3.513 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.957 -3.673 -4.459 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.320 -2.900 -2.185 1.00 0.00 C ATOM 0 H LEU A 34 5.040 0.120 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 34 6.074 -1.203 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.716 -1.573 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.996 -2.744 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 34 4.316 -1.716 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.945 -4.055 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.354 -3.355 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.591 -4.458 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.319 -3.298 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.940 -3.663 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.261 -2.028 -1.533 1.00 0.00 H new ATOM 529 N GLY A 35 8.268 -0.326 -0.858 1.00 0.00 N ATOM 530 CA GLY A 35 9.585 0.182 -0.524 1.00 0.00 C ATOM 531 C GLY A 35 9.587 1.668 -0.208 1.00 0.00 C ATOM 532 O GLY A 35 10.638 2.260 0.049 1.00 0.00 O ATOM 0 H GLY A 35 7.743 -0.695 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.973 -0.367 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.263 -0.008 -1.356 1.00 0.00 H new ATOM 536 N TYR A 36 8.408 2.261 -0.235 1.00 0.00 N ATOM 537 CA TYR A 36 8.223 3.682 0.035 1.00 0.00 C ATOM 538 C TYR A 36 7.900 3.961 1.506 1.00 0.00 C ATOM 539 O TYR A 36 7.827 3.045 2.327 1.00 0.00 O ATOM 540 CB TYR A 36 7.091 4.216 -0.834 1.00 0.00 C ATOM 541 CG TYR A 36 7.438 4.351 -2.297 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.882 3.273 -3.047 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.327 5.574 -2.918 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.198 3.417 -4.381 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.640 5.734 -4.242 1.00 0.00 C ATOM 546 CZ TYR A 36 8.077 4.654 -4.976 1.00 0.00 C ATOM 547 OH TYR A 36 8.390 4.808 -6.305 1.00 0.00 O ATOM 0 H TYR A 36 7.540 1.768 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 36 9.162 4.184 -0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.231 3.553 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.787 5.191 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.982 2.305 -2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.986 6.426 -2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.538 2.567 -4.955 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.544 6.703 -4.708 1.00 0.00 H new ATOM 0 HH TYR A 36 8.249 5.741 -6.568 1.00 0.00 H new ATOM 557 N LYS A 37 7.696 5.243 1.819 1.00 0.00 N ATOM 558 CA LYS A 37 7.375 5.690 3.171 1.00 0.00 C ATOM 559 C LYS A 37 6.903 7.134 3.098 1.00 0.00 C ATOM 560 O LYS A 37 6.955 7.728 2.034 1.00 0.00 O ATOM 561 CB LYS A 37 8.607 5.609 4.069 1.00 0.00 C ATOM 562 CG LYS A 37 9.606 6.736 3.849 1.00 0.00 C ATOM 563 CD LYS A 37 10.797 6.605 4.779 1.00 0.00 C ATOM 564 CE LYS A 37 11.599 7.891 4.865 1.00 0.00 C ATOM 565 NZ LYS A 37 12.802 7.721 5.720 1.00 0.00 N ATOM 0 H LYS A 37 7.750 6.000 1.138 1.00 0.00 H new ATOM 0 HA LYS A 37 6.598 5.050 3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.286 5.619 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.107 4.655 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.947 6.726 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.117 7.696 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.450 6.327 5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.442 5.799 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.902 8.201 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.973 8.686 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.329 8.617 5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.510 7.449 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.410 6.978 5.320 1.00 0.00 H new ATOM 579 N LYS A 38 6.442 7.702 4.202 1.00 0.00 N ATOM 580 CA LYS A 38 6.111 9.114 4.213 1.00 0.00 C ATOM 581 C LYS A 38 7.363 9.969 4.312 1.00 0.00 C ATOM 582 O LYS A 38 8.182 9.791 5.216 1.00 0.00 O ATOM 583 CB LYS A 38 5.169 9.446 5.351 1.00 0.00 C ATOM 584 CG LYS A 38 3.866 8.691 5.273 1.00 0.00 C ATOM 585 CD LYS A 38 2.755 9.520 5.848 1.00 0.00 C ATOM 586 CE LYS A 38 1.601 8.665 6.352 1.00 0.00 C ATOM 587 NZ LYS A 38 1.962 7.891 7.570 1.00 0.00 N ATOM 0 H LYS A 38 6.291 7.216 5.086 1.00 0.00 H new ATOM 0 HA LYS A 38 5.610 9.337 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.658 9.220 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.964 10.516 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.644 8.440 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.948 7.751 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.142 10.125 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.389 10.210 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.746 9.305 6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.291 7.977 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.095 7.587 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.517 7.055 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.526 8.489 8.207 1.00 0.00 H new ATOM 601 N GLY A 39 7.507 10.892 3.376 1.00 0.00 N ATOM 602 CA GLY A 39 8.635 11.796 3.389 1.00 0.00 C ATOM 603 C GLY A 39 8.164 13.225 3.394 1.00 0.00 C ATOM 604 O GLY A 39 8.517 14.007 4.273 1.00 0.00 O ATOM 0 H GLY A 39 6.857 11.032 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.250 11.607 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.263 11.617 2.516 1.00 0.00 H new ATOM 608 N GLU A 40 7.338 13.551 2.416 1.00 0.00 N ATOM 609 CA GLU A 40 6.705 14.843 2.353 1.00 0.00 C ATOM 610 C GLU A 40 5.498 14.832 3.288 1.00 0.00 C ATOM 611 O GLU A 40 4.929 13.771 3.543 1.00 0.00 O ATOM 612 CB GLU A 40 6.315 15.172 0.900 1.00 0.00 C ATOM 613 CG GLU A 40 6.502 14.026 -0.100 1.00 0.00 C ATOM 614 CD GLU A 40 6.831 14.519 -1.495 1.00 0.00 C ATOM 615 OE1 GLU A 40 7.945 15.051 -1.699 1.00 0.00 O ATOM 616 OE2 GLU A 40 5.987 14.360 -2.402 1.00 0.00 O ATOM 0 H GLU A 40 7.092 12.926 1.649 1.00 0.00 H new ATOM 0 HA GLU A 40 7.390 15.626 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.270 15.482 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.906 16.025 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.301 13.371 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.592 13.427 -0.135 1.00 0.00 H new ATOM 623 N GLY A 41 5.152 15.994 3.832 1.00 0.00 N ATOM 624 CA GLY A 41 4.091 16.078 4.826 1.00 0.00 C ATOM 625 C GLY A 41 2.772 15.521 4.339 1.00 0.00 C ATOM 626 O GLY A 41 2.134 16.105 3.458 1.00 0.00 O ATOM 0 H GLY A 41 5.589 16.886 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.398 15.538 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.954 17.120 5.114 1.00 0.00 H new ATOM 630 N ASN A 42 2.358 14.404 4.943 1.00 0.00 N ATOM 631 CA ASN A 42 1.198 13.647 4.486 1.00 0.00 C ATOM 632 C ASN A 42 1.404 13.249 3.047 1.00 0.00 C ATOM 633 O ASN A 42 0.649 13.658 2.168 1.00 0.00 O ATOM 634 CB ASN A 42 -0.094 14.448 4.609 1.00 0.00 C ATOM 635 CG ASN A 42 -0.735 14.350 5.979 1.00 0.00 C ATOM 636 OD1 ASN A 42 -0.056 14.239 6.997 1.00 0.00 O ATOM 637 ND2 ASN A 42 -2.058 14.386 6.008 1.00 0.00 N ATOM 0 H ASN A 42 2.818 14.003 5.760 1.00 0.00 H new ATOM 0 HA ASN A 42 1.102 12.765 5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.114 15.495 4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.803 14.098 3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.551 14.321 6.899 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.585 14.479 5.140 1.00 0.00 H new ATOM 644 N THR A 43 2.452 12.483 2.797 1.00 0.00 N ATOM 645 CA THR A 43 2.826 12.132 1.443 1.00 0.00 C ATOM 646 C THR A 43 3.792 10.966 1.483 1.00 0.00 C ATOM 647 O THR A 43 4.269 10.599 2.552 1.00 0.00 O ATOM 648 CB THR A 43 3.494 13.305 0.710 1.00 0.00 C ATOM 649 OG1 THR A 43 3.069 14.565 1.246 1.00 0.00 O ATOM 650 CG2 THR A 43 3.150 13.274 -0.756 1.00 0.00 C ATOM 0 H THR A 43 3.059 12.093 3.518 1.00 0.00 H new ATOM 0 HA THR A 43 1.917 11.868 0.902 1.00 0.00 H new ATOM 0 HB THR A 43 4.570 13.199 0.847 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.090 15.245 0.540 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.631 14.112 -1.260 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.500 12.338 -1.192 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.069 13.349 -0.878 1.00 0.00 H new ATOM 658 N CYS A 44 4.091 10.389 0.336 1.00 0.00 N ATOM 659 CA CYS A 44 4.961 9.237 0.293 1.00 0.00 C ATOM 660 C CYS A 44 6.125 9.479 -0.647 1.00 0.00 C ATOM 661 O CYS A 44 6.041 10.282 -1.574 1.00 0.00 O ATOM 662 CB CYS A 44 4.161 8.010 -0.121 1.00 0.00 C ATOM 663 SG CYS A 44 2.677 7.753 0.878 1.00 0.00 S ATOM 0 H CYS A 44 3.745 10.699 -0.572 1.00 0.00 H new ATOM 0 HA CYS A 44 5.375 9.063 1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.873 8.109 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.797 7.128 -0.047 1.00 0.00 H new ATOM 0 HG CYS A 44 2.968 7.012 1.905 1.00 0.00 H new ATOM 669 N VAL A 45 7.216 8.793 -0.368 1.00 0.00 N ATOM 670 CA VAL A 45 8.457 8.917 -1.095 1.00 0.00 C ATOM 671 C VAL A 45 9.178 7.588 -1.063 1.00 0.00 C ATOM 672 O VAL A 45 8.812 6.700 -0.296 1.00 0.00 O ATOM 673 CB VAL A 45 9.391 9.965 -0.456 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.816 11.372 -0.581 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.662 9.610 1.007 1.00 0.00 C ATOM 0 H VAL A 45 7.261 8.115 0.393 1.00 0.00 H new ATOM 0 HA VAL A 45 8.216 9.226 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 45 10.337 9.952 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.499 12.086 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.687 11.620 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.850 11.417 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.322 10.357 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.721 9.589 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.136 8.630 1.062 1.00 0.00 H new ATOM 685 N GLU A 46 10.195 7.461 -1.884 1.00 0.00 N ATOM 686 CA GLU A 46 11.050 6.293 -1.864 1.00 0.00 C ATOM 687 C GLU A 46 11.807 6.207 -0.546 1.00 0.00 C ATOM 688 O GLU A 46 12.700 7.010 -0.278 1.00 0.00 O ATOM 689 CB GLU A 46 12.038 6.369 -3.021 1.00 0.00 C ATOM 690 CG GLU A 46 11.667 5.546 -4.238 1.00 0.00 C ATOM 691 CD GLU A 46 12.747 5.608 -5.293 1.00 0.00 C ATOM 692 OE1 GLU A 46 13.075 6.725 -5.750 1.00 0.00 O ATOM 693 OE2 GLU A 46 13.299 4.546 -5.639 1.00 0.00 O ATOM 0 H GLU A 46 10.453 8.159 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 46 10.431 5.401 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.140 7.411 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.016 6.043 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.503 4.510 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.728 5.911 -4.654 1.00 0.00 H new ATOM 700 N ASN A 47 11.437 5.240 0.277 1.00 0.00 N ATOM 701 CA ASN A 47 12.134 5.002 1.533 1.00 0.00 C ATOM 702 C ASN A 47 13.510 4.432 1.237 1.00 0.00 C ATOM 703 O ASN A 47 14.473 4.687 1.956 1.00 0.00 O ATOM 704 CB ASN A 47 11.320 4.055 2.419 1.00 0.00 C ATOM 705 CG ASN A 47 12.010 3.697 3.724 1.00 0.00 C ATOM 706 OD1 ASN A 47 12.878 4.416 4.210 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.594 2.595 4.319 1.00 0.00 N ATOM 0 H ASN A 47 10.658 4.606 0.099 1.00 0.00 H new ATOM 0 HA ASN A 47 12.252 5.941 2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.358 4.517 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.114 3.140 1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.996 2.316 5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.870 2.023 3.884 1.00 0.00 H new ATOM 714 N ASN A 48 13.573 3.648 0.163 1.00 0.00 N ATOM 715 CA ASN A 48 14.835 3.186 -0.418 1.00 0.00 C ATOM 716 C ASN A 48 15.519 2.130 0.451 1.00 0.00 C ATOM 717 O ASN A 48 16.525 1.549 0.054 1.00 0.00 O ATOM 718 CB ASN A 48 15.763 4.377 -0.675 1.00 0.00 C ATOM 719 CG ASN A 48 16.436 4.316 -2.030 1.00 0.00 C ATOM 720 OD1 ASN A 48 17.490 3.704 -2.191 1.00 0.00 O ATOM 721 ND2 ASN A 48 15.832 4.970 -3.012 1.00 0.00 N ATOM 0 H ASN A 48 12.747 3.313 -0.332 1.00 0.00 H new ATOM 0 HA ASN A 48 14.607 2.706 -1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.190 5.301 -0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.526 4.412 0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.241 4.979 -3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.958 5.465 -2.833 1.00 0.00 H new ATOM 728 N ASN A 49 14.941 1.856 1.612 1.00 0.00 N ATOM 729 CA ASN A 49 15.445 0.840 2.523 1.00 0.00 C ATOM 730 C ASN A 49 14.275 0.293 3.324 1.00 0.00 C ATOM 731 O ASN A 49 14.108 0.578 4.510 1.00 0.00 O ATOM 732 CB ASN A 49 16.525 1.409 3.447 1.00 0.00 C ATOM 733 CG ASN A 49 17.279 0.317 4.192 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.207 -0.287 3.654 1.00 0.00 O ATOM 735 ND2 ASN A 49 16.899 0.064 5.436 1.00 0.00 N ATOM 0 H ASN A 49 14.106 2.335 1.949 1.00 0.00 H new ATOM 0 HA ASN A 49 15.910 0.036 1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.229 1.998 2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.065 2.086 4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.380 -0.652 5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.125 0.585 5.849 1.00 0.00 H new ATOM 742 N PRO A 50 13.437 -0.494 2.649 1.00 0.00 N ATOM 743 CA PRO A 50 12.154 -0.938 3.159 1.00 0.00 C ATOM 744 C PRO A 50 12.239 -2.175 4.044 1.00 0.00 C ATOM 745 O PRO A 50 12.919 -3.151 3.727 1.00 0.00 O ATOM 746 CB PRO A 50 11.358 -1.243 1.889 1.00 0.00 C ATOM 747 CG PRO A 50 12.317 -1.135 0.742 1.00 0.00 C ATOM 748 CD PRO A 50 13.684 -1.026 1.320 1.00 0.00 C ATOM 0 HA PRO A 50 11.704 -0.182 3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.922 -2.241 1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.533 -0.540 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.242 -2.008 0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.088 -0.263 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.184 -1.994 1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.319 -0.363 0.732 1.00 0.00 H new ATOM 756 N THR A 51 11.537 -2.105 5.155 1.00 0.00 N ATOM 757 CA THR A 51 11.471 -3.180 6.119 1.00 0.00 C ATOM 758 C THR A 51 10.020 -3.596 6.321 1.00 0.00 C ATOM 759 O THR A 51 9.105 -2.795 6.124 1.00 0.00 O ATOM 760 CB THR A 51 12.083 -2.758 7.474 1.00 0.00 C ATOM 761 OG1 THR A 51 12.067 -3.857 8.394 1.00 0.00 O ATOM 762 CG2 THR A 51 11.314 -1.596 8.071 1.00 0.00 C ATOM 0 H THR A 51 10.988 -1.286 5.417 1.00 0.00 H new ATOM 0 HA THR A 51 12.048 -4.020 5.732 1.00 0.00 H new ATOM 0 HB THR A 51 13.113 -2.450 7.295 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.154 -3.997 8.720 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.761 -1.315 9.024 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.350 -0.747 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.276 -1.890 8.230 1.00 0.00 H new ATOM 770 N CYS A 52 9.807 -4.842 6.701 1.00 0.00 N ATOM 771 CA CYS A 52 8.482 -5.291 7.098 1.00 0.00 C ATOM 772 C CYS A 52 8.222 -4.828 8.538 1.00 0.00 C ATOM 773 O CYS A 52 9.147 -4.357 9.204 1.00 0.00 O ATOM 774 CB CYS A 52 8.397 -6.821 6.980 1.00 0.00 C ATOM 775 SG CYS A 52 7.029 -7.590 7.880 1.00 0.00 S ATOM 0 H CYS A 52 10.530 -5.560 6.744 1.00 0.00 H new ATOM 0 HA CYS A 52 7.721 -4.864 6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.310 -7.083 5.926 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.333 -7.249 7.339 1.00 0.00 H new ATOM 0 HG CYS A 52 6.119 -7.979 7.037 1.00 0.00 H new ATOM 781 N ASP A 53 6.958 -4.921 8.975 1.00 0.00 N ATOM 782 CA ASP A 53 6.491 -4.400 10.278 1.00 0.00 C ATOM 783 C ASP A 53 6.178 -2.910 10.200 1.00 0.00 C ATOM 784 O ASP A 53 5.249 -2.427 10.848 1.00 0.00 O ATOM 785 CB ASP A 53 7.485 -4.659 11.420 1.00 0.00 C ATOM 786 CG ASP A 53 7.283 -6.004 12.084 1.00 0.00 C ATOM 787 OD1 ASP A 53 6.442 -6.092 13.003 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.972 -6.974 11.703 1.00 0.00 O ATOM 0 H ASP A 53 6.218 -5.365 8.431 1.00 0.00 H new ATOM 0 HA ASP A 53 5.578 -4.950 10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.501 -4.601 11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.385 -3.872 12.167 1.00 0.00 H new ATOM 793 N ILE A 54 6.938 -2.195 9.389 1.00 0.00 N ATOM 794 CA ILE A 54 6.759 -0.760 9.231 1.00 0.00 C ATOM 795 C ILE A 54 6.217 -0.473 7.853 1.00 0.00 C ATOM 796 O ILE A 54 6.913 -0.658 6.852 1.00 0.00 O ATOM 797 CB ILE A 54 8.081 0.005 9.453 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.665 -0.361 10.821 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.849 1.506 9.346 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.985 0.310 11.126 1.00 0.00 C ATOM 0 H ILE A 54 7.691 -2.588 8.825 1.00 0.00 H new ATOM 0 HA ILE A 54 6.051 -0.417 9.986 1.00 0.00 H new ATOM 0 HB ILE A 54 8.795 -0.281 8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.946 -0.093 11.595 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.799 -1.442 10.870 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.790 2.032 9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.463 1.745 8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.127 1.817 10.101 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.332 -0.000 12.112 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.721 0.023 10.375 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.855 1.392 11.111 1.00 0.00 H new ATOM 812 N ASN A 55 4.946 -0.072 7.812 1.00 0.00 N ATOM 813 CA ASN A 55 4.244 0.177 6.558 1.00 0.00 C ATOM 814 C ASN A 55 4.126 -1.119 5.766 1.00 0.00 C ATOM 815 O ASN A 55 3.774 -1.120 4.591 1.00 0.00 O ATOM 816 CB ASN A 55 4.989 1.247 5.759 1.00 0.00 C ATOM 817 CG ASN A 55 4.200 1.768 4.572 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.968 1.799 4.583 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.910 2.180 3.537 1.00 0.00 N ATOM 0 H ASN A 55 4.379 0.088 8.644 1.00 0.00 H new ATOM 0 HA ASN A 55 3.237 0.540 6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.232 2.080 6.419 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.934 0.834 5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.440 2.541 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.929 2.138 3.568 1.00 0.00 H new ATOM 826 N ASN A 56 4.422 -2.226 6.445 1.00 0.00 N ATOM 827 CA ASN A 56 4.455 -3.550 5.833 1.00 0.00 C ATOM 828 C ASN A 56 5.448 -3.552 4.661 1.00 0.00 C ATOM 829 O ASN A 56 5.332 -4.346 3.735 1.00 0.00 O ATOM 830 CB ASN A 56 3.049 -3.967 5.356 1.00 0.00 C ATOM 831 CG ASN A 56 2.830 -5.467 5.378 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.247 -6.148 6.312 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.184 -5.990 4.343 1.00 0.00 N ATOM 0 H ASN A 56 4.647 -2.228 7.440 1.00 0.00 H new ATOM 0 HA ASN A 56 4.783 -4.275 6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.301 -3.488 5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.892 -3.599 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.016 -6.995 4.302 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.855 -5.387 3.589 1.00 0.00 H new ATOM 840 N GLY A 57 6.427 -2.646 4.718 1.00 0.00 N ATOM 841 CA GLY A 57 7.389 -2.492 3.640 1.00 0.00 C ATOM 842 C GLY A 57 6.795 -1.778 2.441 1.00 0.00 C ATOM 843 O GLY A 57 7.341 -1.833 1.341 1.00 0.00 O ATOM 0 H GLY A 57 6.569 -2.010 5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.252 -1.934 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.750 -3.474 3.334 1.00 0.00 H new ATOM 847 N GLY A 58 5.683 -1.096 2.664 1.00 0.00 N ATOM 848 CA GLY A 58 4.978 -0.439 1.585 1.00 0.00 C ATOM 849 C GLY A 58 3.856 -1.304 1.071 1.00 0.00 C ATOM 850 O GLY A 58 3.332 -1.083 -0.012 1.00 0.00 O ATOM 0 H GLY A 58 5.253 -0.985 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.578 0.513 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.672 -0.216 0.774 1.00 0.00 H new ATOM 854 N CYS A 59 3.482 -2.281 1.874 1.00 0.00 N ATOM 855 CA CYS A 59 2.525 -3.297 1.477 1.00 0.00 C ATOM 856 C CYS A 59 1.237 -3.209 2.296 1.00 0.00 C ATOM 857 O CYS A 59 1.106 -2.379 3.200 1.00 0.00 O ATOM 858 CB CYS A 59 3.155 -4.679 1.628 1.00 0.00 C ATOM 859 SG CYS A 59 4.532 -4.989 0.503 1.00 0.00 S ATOM 0 H CYS A 59 3.835 -2.393 2.824 1.00 0.00 H new ATOM 0 HA CYS A 59 2.261 -3.127 0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.504 -4.797 2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.388 -5.436 1.463 1.00 0.00 H new ATOM 0 HG CYS A 59 4.862 -6.245 0.557 1.00 0.00 H new ATOM 865 N ASP A 60 0.301 -4.084 1.965 1.00 0.00 N ATOM 866 CA ASP A 60 -0.991 -4.166 2.645 1.00 0.00 C ATOM 867 C ASP A 60 -0.933 -5.282 3.668 1.00 0.00 C ATOM 868 O ASP A 60 -0.313 -6.305 3.428 1.00 0.00 O ATOM 869 CB ASP A 60 -2.084 -4.498 1.616 1.00 0.00 C ATOM 870 CG ASP A 60 -3.464 -4.693 2.229 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.705 -5.756 2.822 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.316 -3.788 2.107 1.00 0.00 O ATOM 0 H ASP A 60 0.413 -4.764 1.213 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.214 -3.216 3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.133 -3.695 0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.803 -5.405 1.080 1.00 0.00 H new ATOM 877 N PRO A 61 -1.558 -5.072 4.843 1.00 0.00 N ATOM 878 CA PRO A 61 -1.553 -6.029 5.946 1.00 0.00 C ATOM 879 C PRO A 61 -1.921 -7.455 5.526 1.00 0.00 C ATOM 880 O PRO A 61 -1.505 -8.418 6.175 1.00 0.00 O ATOM 881 CB PRO A 61 -2.613 -5.483 6.912 1.00 0.00 C ATOM 882 CG PRO A 61 -3.275 -4.350 6.221 1.00 0.00 C ATOM 883 CD PRO A 61 -2.311 -3.867 5.196 1.00 0.00 C ATOM 0 HA PRO A 61 -0.554 -6.115 6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.337 -6.256 7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.154 -5.153 7.844 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.209 -4.669 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.524 -3.556 6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.822 -3.445 4.331 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.660 -3.088 5.593 1.00 0.00 H new ATOM 891 N THR A 62 -2.721 -7.590 4.467 1.00 0.00 N ATOM 892 CA THR A 62 -3.066 -8.903 3.933 1.00 0.00 C ATOM 893 C THR A 62 -1.974 -9.390 2.989 1.00 0.00 C ATOM 894 O THR A 62 -1.697 -10.593 2.902 1.00 0.00 O ATOM 895 CB THR A 62 -4.414 -8.895 3.177 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.334 -8.065 2.010 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.532 -8.397 4.076 1.00 0.00 C ATOM 0 H THR A 62 -3.140 -6.807 3.965 1.00 0.00 H new ATOM 0 HA THR A 62 -3.159 -9.575 4.786 1.00 0.00 H new ATOM 0 HB THR A 62 -4.632 -9.919 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.046 -7.165 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.472 -8.400 3.524 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.620 -9.051 4.944 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.308 -7.383 4.407 1.00 0.00 H new ATOM 905 N ALA A 63 -1.354 -8.444 2.286 1.00 0.00 N ATOM 906 CA ALA A 63 -0.267 -8.744 1.386 1.00 0.00 C ATOM 907 C ALA A 63 0.948 -9.228 2.160 1.00 0.00 C ATOM 908 O ALA A 63 1.542 -8.477 2.935 1.00 0.00 O ATOM 909 CB ALA A 63 0.076 -7.517 0.553 1.00 0.00 C ATOM 0 H ALA A 63 -1.598 -7.455 2.331 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.579 -9.543 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.898 -7.754 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.796 -7.216 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.372 -6.701 1.212 1.00 0.00 H new ATOM 915 N SER A 64 1.296 -10.493 1.971 1.00 0.00 N ATOM 916 CA SER A 64 2.459 -11.063 2.624 1.00 0.00 C ATOM 917 C SER A 64 3.722 -10.350 2.160 1.00 0.00 C ATOM 918 O SER A 64 4.228 -10.606 1.068 1.00 0.00 O ATOM 919 CB SER A 64 2.558 -12.561 2.328 1.00 0.00 C ATOM 920 OG SER A 64 3.531 -13.191 3.147 1.00 0.00 O ATOM 0 H SER A 64 0.788 -11.142 1.370 1.00 0.00 H new ATOM 0 HA SER A 64 2.354 -10.929 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.587 -13.029 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.813 -12.709 1.279 1.00 0.00 H new ATOM 0 HG SER A 64 3.568 -14.147 2.934 1.00 0.00 H new ATOM 926 N CYS A 65 4.194 -9.442 2.997 1.00 0.00 N ATOM 927 CA CYS A 65 5.401 -8.681 2.736 1.00 0.00 C ATOM 928 C CYS A 65 6.651 -9.522 2.948 1.00 0.00 C ATOM 929 O CYS A 65 6.706 -10.366 3.850 1.00 0.00 O ATOM 930 CB CYS A 65 5.460 -7.489 3.673 1.00 0.00 C ATOM 931 SG CYS A 65 5.292 -7.967 5.401 1.00 0.00 S ATOM 0 H CYS A 65 3.746 -9.211 3.884 1.00 0.00 H new ATOM 0 HA CYS A 65 5.369 -8.357 1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.407 -6.967 3.533 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.667 -6.787 3.414 1.00 0.00 H new ATOM 0 HG CYS A 65 4.518 -7.120 6.012 1.00 0.00 H new ATOM 937 N GLN A 66 7.645 -9.281 2.114 1.00 0.00 N ATOM 938 CA GLN A 66 8.952 -9.882 2.275 1.00 0.00 C ATOM 939 C GLN A 66 10.011 -8.795 2.378 1.00 0.00 C ATOM 940 O GLN A 66 10.251 -8.065 1.422 1.00 0.00 O ATOM 941 CB GLN A 66 9.260 -10.805 1.100 1.00 0.00 C ATOM 942 CG GLN A 66 8.236 -11.910 0.936 1.00 0.00 C ATOM 943 CD GLN A 66 8.747 -13.053 0.087 1.00 0.00 C ATOM 944 OE1 GLN A 66 8.546 -13.080 -1.126 1.00 0.00 O ATOM 945 NE2 GLN A 66 9.432 -13.994 0.716 1.00 0.00 N ATOM 0 H GLN A 66 7.567 -8.663 1.306 1.00 0.00 H new ATOM 0 HA GLN A 66 8.957 -10.473 3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.303 -10.217 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.246 -11.248 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.955 -12.289 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.334 -11.500 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.575 -13.933 1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.817 -14.781 0.193 1.00 0.00 H new ATOM 954 N ASN A 67 10.620 -8.686 3.549 1.00 0.00 N ATOM 955 CA ASN A 67 11.666 -7.729 3.804 1.00 0.00 C ATOM 956 C ASN A 67 12.966 -8.163 3.126 1.00 0.00 C ATOM 957 O ASN A 67 13.501 -9.235 3.412 1.00 0.00 O ATOM 958 CB ASN A 67 11.868 -7.590 5.315 1.00 0.00 C ATOM 959 CG ASN A 67 11.595 -8.872 6.097 1.00 0.00 C ATOM 960 OD1 ASN A 67 11.717 -9.982 5.580 1.00 0.00 O ATOM 961 ND2 ASN A 67 11.247 -8.728 7.364 1.00 0.00 N ATOM 0 H ASN A 67 10.393 -9.270 4.354 1.00 0.00 H new ATOM 0 HA ASN A 67 11.377 -6.763 3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.892 -7.271 5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.213 -6.802 5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.072 -9.550 7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.154 -7.794 7.764 1.00 0.00 H new ATOM 968 N ALA A 68 13.464 -7.331 2.226 1.00 0.00 N ATOM 969 CA ALA A 68 14.655 -7.655 1.455 1.00 0.00 C ATOM 970 C ALA A 68 15.431 -6.395 1.111 1.00 0.00 C ATOM 971 O ALA A 68 14.920 -5.284 1.257 1.00 0.00 O ATOM 972 CB ALA A 68 14.270 -8.393 0.186 1.00 0.00 C ATOM 0 H ALA A 68 13.059 -6.420 2.010 1.00 0.00 H new ATOM 0 HA ALA A 68 15.293 -8.298 2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.168 -8.631 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.750 -9.315 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.615 -7.764 -0.416 1.00 0.00 H new ATOM 978 N GLU A 69 16.668 -6.574 0.681 1.00 0.00 N ATOM 979 CA GLU A 69 17.493 -5.459 0.242 1.00 0.00 C ATOM 980 C GLU A 69 17.768 -5.560 -1.257 1.00 0.00 C ATOM 981 O GLU A 69 17.787 -6.653 -1.819 1.00 0.00 O ATOM 982 CB GLU A 69 18.810 -5.423 1.014 1.00 0.00 C ATOM 983 CG GLU A 69 18.645 -5.185 2.507 1.00 0.00 C ATOM 984 CD GLU A 69 19.970 -4.969 3.205 1.00 0.00 C ATOM 985 OE1 GLU A 69 20.592 -5.960 3.643 1.00 0.00 O ATOM 986 OE2 GLU A 69 20.406 -3.805 3.312 1.00 0.00 O ATOM 0 H GLU A 69 17.126 -7.484 0.626 1.00 0.00 H new ATOM 0 HA GLU A 69 16.950 -4.535 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.334 -6.367 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.441 -4.638 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.008 -4.315 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.136 -6.039 2.955 1.00 0.00 H new ATOM 993 N SER A 70 17.986 -4.414 -1.890 1.00 0.00 N ATOM 994 CA SER A 70 18.232 -4.345 -3.326 1.00 0.00 C ATOM 995 C SER A 70 18.591 -2.918 -3.705 1.00 0.00 C ATOM 996 O SER A 70 18.643 -2.046 -2.837 1.00 0.00 O ATOM 997 CB SER A 70 17.000 -4.789 -4.122 1.00 0.00 C ATOM 998 OG SER A 70 17.369 -5.284 -5.399 1.00 0.00 O ATOM 0 H SER A 70 17.997 -3.507 -1.424 1.00 0.00 H new ATOM 0 HA SER A 70 19.055 -5.018 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.465 -5.562 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.316 -3.949 -4.238 1.00 0.00 H new ATOM 0 HG SER A 70 16.566 -5.562 -5.887 1.00 0.00 H new ATOM 1004 N THR A 71 18.827 -2.670 -4.980 1.00 0.00 N ATOM 1005 CA THR A 71 19.048 -1.314 -5.449 1.00 0.00 C ATOM 1006 C THR A 71 17.732 -0.542 -5.448 1.00 0.00 C ATOM 1007 O THR A 71 17.677 0.625 -5.056 1.00 0.00 O ATOM 1008 CB THR A 71 19.673 -1.298 -6.858 1.00 0.00 C ATOM 1009 OG1 THR A 71 19.010 -2.252 -7.704 1.00 0.00 O ATOM 1010 CG2 THR A 71 21.161 -1.614 -6.791 1.00 0.00 C ATOM 0 H THR A 71 18.871 -3.385 -5.706 1.00 0.00 H new ATOM 0 HA THR A 71 19.750 -0.833 -4.769 1.00 0.00 H new ATOM 0 HB THR A 71 19.548 -0.299 -7.276 1.00 0.00 H new ATOM 0 HG1 THR A 71 19.413 -2.233 -8.597 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.582 -1.597 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.664 -0.869 -6.175 1.00 0.00 H new ATOM 0 HG23 THR A 71 21.304 -2.602 -6.354 1.00 0.00 H new ATOM 1018 N GLU A 72 16.671 -1.226 -5.851 1.00 0.00 N ATOM 1019 CA GLU A 72 15.344 -0.632 -5.903 1.00 0.00 C ATOM 1020 C GLU A 72 14.558 -0.993 -4.665 1.00 0.00 C ATOM 1021 O GLU A 72 14.407 -2.168 -4.359 1.00 0.00 O ATOM 1022 CB GLU A 72 14.574 -1.156 -7.100 1.00 0.00 C ATOM 1023 CG GLU A 72 15.262 -0.941 -8.427 1.00 0.00 C ATOM 1024 CD GLU A 72 15.229 0.500 -8.888 1.00 0.00 C ATOM 1025 OE1 GLU A 72 15.586 1.394 -8.096 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.871 0.739 -10.058 1.00 0.00 O ATOM 0 H GLU A 72 16.705 -2.201 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 72 15.470 0.448 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.398 -2.223 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.597 -0.673 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.299 -1.267 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.787 -1.568 -9.181 1.00 0.00 H new ATOM 1033 N ASN A 73 14.033 0.003 -3.972 1.00 0.00 N ATOM 1034 CA ASN A 73 13.180 -0.256 -2.818 1.00 0.00 C ATOM 1035 C ASN A 73 11.898 -0.942 -3.244 1.00 0.00 C ATOM 1036 O ASN A 73 11.291 -1.673 -2.465 1.00 0.00 O ATOM 1037 CB ASN A 73 12.839 1.025 -2.054 1.00 0.00 C ATOM 1038 CG ASN A 73 12.539 2.199 -2.962 1.00 0.00 C ATOM 1039 OD1 ASN A 73 11.404 2.405 -3.380 1.00 0.00 O ATOM 1040 ND2 ASN A 73 13.562 2.982 -3.266 1.00 0.00 N ATOM 0 H ASN A 73 14.179 0.990 -4.183 1.00 0.00 H new ATOM 0 HA ASN A 73 13.743 -0.910 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.977 0.840 -1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.672 1.283 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.422 3.793 -3.869 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.490 2.775 -2.897 1.00 0.00 H new ATOM 1047 N SER A 74 11.504 -0.729 -4.489 1.00 0.00 N ATOM 1048 CA SER A 74 10.249 -1.261 -4.975 1.00 0.00 C ATOM 1049 C SER A 74 10.421 -2.698 -5.465 1.00 0.00 C ATOM 1050 O SER A 74 9.444 -3.383 -5.765 1.00 0.00 O ATOM 1051 CB SER A 74 9.698 -0.365 -6.091 1.00 0.00 C ATOM 1052 OG SER A 74 8.396 -0.766 -6.487 1.00 0.00 O ATOM 0 H SER A 74 12.035 -0.194 -5.176 1.00 0.00 H new ATOM 0 HA SER A 74 9.533 -1.274 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.672 0.670 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.367 -0.400 -6.951 1.00 0.00 H new ATOM 0 HG SER A 74 8.313 -1.739 -6.401 1.00 0.00 H new ATOM 1058 N LYS A 75 11.664 -3.157 -5.533 1.00 0.00 N ATOM 1059 CA LYS A 75 11.941 -4.518 -5.971 1.00 0.00 C ATOM 1060 C LYS A 75 12.408 -5.374 -4.799 1.00 0.00 C ATOM 1061 O LYS A 75 12.839 -6.510 -4.986 1.00 0.00 O ATOM 1062 CB LYS A 75 13.002 -4.534 -7.073 1.00 0.00 C ATOM 1063 CG LYS A 75 12.666 -3.667 -8.277 1.00 0.00 C ATOM 1064 CD LYS A 75 13.594 -3.959 -9.437 1.00 0.00 C ATOM 1065 CE LYS A 75 13.305 -3.067 -10.634 1.00 0.00 C ATOM 1066 NZ LYS A 75 14.272 -3.298 -11.737 1.00 0.00 N ATOM 0 H LYS A 75 12.491 -2.611 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 75 11.015 -4.933 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.951 -4.200 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.146 -5.561 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.634 -3.844 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.741 -2.615 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.627 -3.817 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.491 -5.004 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.293 -3.255 -10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.346 -2.022 -10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.044 -2.672 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.235 -3.094 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.215 -4.289 -12.047 1.00 0.00 H new ATOM 1080 N LYS A 76 12.329 -4.823 -3.592 1.00 0.00 N ATOM 1081 CA LYS A 76 12.775 -5.539 -2.402 1.00 0.00 C ATOM 1082 C LYS A 76 11.611 -6.214 -1.712 1.00 0.00 C ATOM 1083 O LYS A 76 11.595 -7.429 -1.550 1.00 0.00 O ATOM 1084 CB LYS A 76 13.432 -4.599 -1.402 1.00 0.00 C ATOM 1085 CG LYS A 76 14.496 -3.710 -1.988 1.00 0.00 C ATOM 1086 CD LYS A 76 15.179 -2.923 -0.901 1.00 0.00 C ATOM 1087 CE LYS A 76 15.891 -1.701 -1.448 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.854 -1.124 -0.471 1.00 0.00 N ATOM 0 H LYS A 76 11.962 -3.888 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 76 13.498 -6.283 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.662 -3.974 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.872 -5.192 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.229 -4.313 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.051 -3.029 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.442 -2.612 -0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.897 -3.562 -0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.421 -1.971 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.154 -0.945 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.745 -0.090 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.666 -1.515 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.825 -1.363 -0.758 1.00 0.00 H new ATOM 1102 N ILE A 77 10.644 -5.413 -1.289 1.00 0.00 N ATOM 1103 CA ILE A 77 9.518 -5.940 -0.550 1.00 0.00 C ATOM 1104 C ILE A 77 8.532 -6.577 -1.502 1.00 0.00 C ATOM 1105 O ILE A 77 8.139 -5.988 -2.510 1.00 0.00 O ATOM 1106 CB ILE A 77 8.787 -4.864 0.274 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.784 -4.043 1.081 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.761 -5.487 1.209 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.517 -4.844 2.136 1.00 0.00 C ATOM 0 H ILE A 77 10.620 -4.405 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 77 9.918 -6.677 0.146 1.00 0.00 H new ATOM 0 HB ILE A 77 8.265 -4.211 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.513 -3.601 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.257 -3.219 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.262 -4.702 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.023 -6.037 0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.262 -6.169 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.210 -4.194 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.798 -5.264 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.072 -5.652 1.659 1.00 0.00 H new ATOM 1121 N ILE A 78 8.158 -7.780 -1.171 1.00 0.00 N ATOM 1122 CA ILE A 78 7.174 -8.523 -1.938 1.00 0.00 C ATOM 1123 C ILE A 78 5.833 -8.444 -1.229 1.00 0.00 C ATOM 1124 O ILE A 78 5.774 -8.613 -0.021 1.00 0.00 O ATOM 1125 CB ILE A 78 7.586 -10.007 -2.131 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.617 -10.143 -3.253 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.380 -10.891 -2.419 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.020 -9.745 -2.855 1.00 0.00 C ATOM 0 H ILE A 78 8.522 -8.283 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 78 7.105 -8.076 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 78 8.035 -10.343 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.628 -11.177 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.303 -9.529 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.708 -11.923 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.680 -10.834 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.888 -10.550 -3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.689 -9.871 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.026 -8.702 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.357 -10.375 -2.032 1.00 0.00 H new ATOM 1140 N CYS A 79 4.778 -8.148 -1.964 1.00 0.00 N ATOM 1141 CA CYS A 79 3.440 -8.108 -1.394 1.00 0.00 C ATOM 1142 C CYS A 79 2.573 -9.198 -2.004 1.00 0.00 C ATOM 1143 O CYS A 79 2.585 -9.406 -3.219 1.00 0.00 O ATOM 1144 CB CYS A 79 2.803 -6.746 -1.642 1.00 0.00 C ATOM 1145 SG CYS A 79 3.096 -6.120 -3.304 1.00 0.00 S ATOM 0 H CYS A 79 4.819 -7.931 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 79 3.517 -8.276 -0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.729 -6.818 -1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.194 -6.032 -0.917 1.00 0.00 H new ATOM 0 HG CYS A 79 2.356 -6.773 -4.150 1.00 0.00 H new ATOM 1151 N THR A 80 1.837 -9.908 -1.174 1.00 0.00 N ATOM 1152 CA THR A 80 0.971 -10.955 -1.665 1.00 0.00 C ATOM 1153 C THR A 80 -0.409 -10.927 -1.017 1.00 0.00 C ATOM 1154 O THR A 80 -0.585 -11.361 0.125 1.00 0.00 O ATOM 1155 CB THR A 80 1.600 -12.337 -1.449 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.724 -12.510 -2.323 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.564 -13.415 -1.692 1.00 0.00 C ATOM 0 H THR A 80 1.822 -9.779 -0.162 1.00 0.00 H new ATOM 0 HA THR A 80 0.848 -10.769 -2.732 1.00 0.00 H new ATOM 0 HB THR A 80 1.951 -12.415 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.119 -13.395 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.015 -14.395 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.266 -13.285 -0.998 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.196 -13.342 -2.716 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.382 -10.420 -1.750 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.768 -10.564 -1.366 1.00 0.00 C ATOM 1167 C CYS A 81 -3.291 -11.843 -1.997 1.00 0.00 C ATOM 1168 O CYS A 81 -2.969 -12.155 -3.146 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.594 -9.352 -1.792 1.00 0.00 C ATOM 1170 SG CYS A 81 -3.115 -7.814 -0.970 1.00 0.00 S ATOM 0 H CYS A 81 -1.234 -9.904 -2.617 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.851 -10.622 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.500 -9.221 -2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.646 -9.551 -1.586 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.565 -7.816 0.250 1.00 0.00 H new ATOM 1176 N LYS A 82 -4.075 -12.577 -1.246 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.407 -13.943 -1.589 1.00 0.00 C ATOM 1178 C LYS A 82 -5.871 -14.105 -1.976 1.00 0.00 C ATOM 1179 O LYS A 82 -6.595 -13.125 -2.119 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.042 -14.853 -0.427 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.540 -15.008 -0.259 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.196 -15.876 0.932 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.545 -15.188 2.239 1.00 0.00 C ATOM 1184 NZ LYS A 82 -1.650 -14.029 2.521 1.00 0.00 N ATOM 0 H LYS A 82 -4.502 -12.247 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.828 -14.224 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.468 -14.451 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.490 -15.834 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.116 -15.446 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.084 -14.025 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.734 -16.822 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.132 -16.112 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.579 -14.846 2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.475 -15.906 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.798 -13.706 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.659 -14.318 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.869 -13.254 1.863 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.298 -15.337 -2.169 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.653 -15.610 -2.634 1.00 0.00 C ATOM 1200 C GLU A 83 -8.736 -15.113 -1.658 1.00 0.00 C ATOM 1201 O GLU A 83 -9.763 -14.598 -2.102 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.823 -17.099 -2.936 1.00 0.00 C ATOM 1203 CG GLU A 83 -9.088 -17.418 -3.706 1.00 0.00 C ATOM 1204 CD GLU A 83 -9.051 -18.796 -4.326 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -8.253 -19.008 -5.264 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -9.831 -19.666 -3.896 1.00 0.00 O ATOM 0 H GLU A 83 -5.729 -16.169 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.793 -15.044 -3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.962 -17.447 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.828 -17.654 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.946 -17.346 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.231 -16.674 -4.489 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.549 -15.240 -0.320 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.488 -14.674 0.653 1.00 0.00 C ATOM 1215 C PRO A 84 -9.581 -13.154 0.555 1.00 0.00 C ATOM 1216 O PRO A 84 -10.451 -12.536 1.170 1.00 0.00 O ATOM 1217 CB PRO A 84 -8.879 -15.052 2.003 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.995 -16.199 1.728 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.455 -15.960 0.358 1.00 0.00 C ATOM 0 HA PRO A 84 -10.499 -15.049 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -8.320 -14.219 2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.654 -15.317 2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.192 -16.261 2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.544 -17.139 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.540 -15.368 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.215 -16.895 -0.148 1.00 0.00 H new ATOM 1227 N THR A 85 -8.685 -12.556 -0.218 1.00 0.00 N ATOM 1228 CA THR A 85 -8.618 -11.112 -0.303 1.00 0.00 C ATOM 1229 C THR A 85 -8.952 -10.636 -1.720 1.00 0.00 C ATOM 1230 O THR A 85 -8.183 -10.844 -2.657 1.00 0.00 O ATOM 1231 CB THR A 85 -7.233 -10.573 0.142 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.201 -11.051 -0.713 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.921 -10.985 1.570 1.00 0.00 C ATOM 0 H THR A 85 -8.000 -13.049 -0.791 1.00 0.00 H new ATOM 0 HA THR A 85 -9.363 -10.710 0.384 1.00 0.00 H new ATOM 0 HB THR A 85 -7.276 -9.486 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.597 -11.567 -1.446 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.945 -10.594 1.856 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.683 -10.584 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.911 -12.073 1.641 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.141 -10.023 -1.876 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.656 -9.493 -3.155 1.00 0.00 C ATOM 1243 C PRO A 86 -9.628 -8.822 -4.109 1.00 0.00 C ATOM 1244 O PRO A 86 -9.804 -8.909 -5.324 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.722 -8.505 -2.657 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.316 -9.228 -1.509 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.146 -9.836 -0.795 1.00 0.00 C ATOM 0 HA PRO A 86 -11.010 -10.296 -3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.284 -7.554 -2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.463 -8.285 -3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.869 -8.551 -0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -13.017 -9.993 -1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.772 -9.182 -0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.410 -10.783 -0.324 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.572 -8.153 -3.609 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.602 -7.517 -4.524 1.00 0.00 C ATOM 1257 C ASN A 87 -6.263 -7.171 -3.872 1.00 0.00 C ATOM 1258 O ASN A 87 -6.130 -7.188 -2.657 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.191 -6.241 -5.122 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.349 -5.658 -6.244 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.778 -6.385 -7.057 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.246 -4.341 -6.268 1.00 0.00 N ATOM 0 H ASN A 87 -8.371 -8.040 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.406 -8.261 -5.296 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.191 -6.453 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.300 -5.496 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.675 -3.887 -6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.737 -3.778 -5.574 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.282 -6.869 -4.729 1.00 0.00 N ATOM 1270 CA ALA A 88 -4.010 -6.263 -4.340 1.00 0.00 C ATOM 1271 C ALA A 88 -3.810 -4.975 -5.137 1.00 0.00 C ATOM 1272 O ALA A 88 -3.569 -5.012 -6.344 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.854 -7.217 -4.588 1.00 0.00 C ATOM 0 H ALA A 88 -5.354 -7.043 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.034 -6.039 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.920 -6.741 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.001 -8.126 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.811 -7.469 -5.648 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.937 -3.842 -4.464 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.792 -2.541 -5.099 1.00 0.00 C ATOM 1281 C TYR A 89 -2.336 -2.140 -5.107 1.00 0.00 C ATOM 1282 O TYR A 89 -1.650 -2.334 -4.103 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.562 -1.495 -4.319 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.593 -0.758 -5.099 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.277 0.390 -5.813 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.894 -1.179 -5.070 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -6.249 1.088 -6.494 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.867 -0.490 -5.733 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.549 0.646 -6.448 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.533 1.339 -7.114 1.00 0.00 O ATOM 0 H TYR A 89 -4.143 -3.798 -3.466 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.175 -2.607 -6.117 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.047 -1.980 -3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.854 -0.774 -3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.256 0.740 -5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.154 -2.068 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.992 1.973 -7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.890 -0.835 -5.698 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.023 1.903 -6.479 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.872 -1.562 -6.210 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.475 -1.158 -6.321 1.00 0.00 C ATOM 1302 C TYR A 90 0.416 -2.327 -5.979 1.00 0.00 C ATOM 1303 O TYR A 90 1.265 -2.250 -5.096 1.00 0.00 O ATOM 1304 CB TYR A 90 -0.187 0.063 -5.433 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.795 1.334 -5.979 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -2.111 1.669 -5.700 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -0.057 2.191 -6.786 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.675 2.824 -6.204 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.614 3.349 -7.293 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.924 3.660 -7.000 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.485 4.812 -7.498 1.00 0.00 O ATOM 0 H TYR A 90 -2.438 -1.364 -7.035 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.265 -0.858 -7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.576 -0.121 -4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.891 0.192 -5.337 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.705 1.016 -5.078 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.969 1.948 -7.021 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.701 3.071 -5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.026 4.007 -7.916 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.823 5.291 -8.039 1.00 0.00 H new ATOM 1321 N GLU A 91 0.164 -3.429 -6.687 1.00 0.00 N ATOM 1322 CA GLU A 91 0.941 -4.658 -6.587 1.00 0.00 C ATOM 1323 C GLU A 91 0.674 -5.401 -5.276 1.00 0.00 C ATOM 1324 O GLU A 91 0.925 -6.602 -5.167 1.00 0.00 O ATOM 1325 CB GLU A 91 2.425 -4.337 -6.754 1.00 0.00 C ATOM 1326 CG GLU A 91 2.680 -3.277 -7.819 1.00 0.00 C ATOM 1327 CD GLU A 91 2.554 -3.795 -9.234 1.00 0.00 C ATOM 1328 OE1 GLU A 91 3.518 -4.411 -9.732 1.00 0.00 O ATOM 1329 OE2 GLU A 91 1.498 -3.565 -9.867 1.00 0.00 O ATOM 0 H GLU A 91 -0.602 -3.490 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 91 0.629 -5.328 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.828 -3.994 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.962 -5.248 -7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 91 1.977 -2.456 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.680 -2.867 -7.679 1.00 0.00 H new ATOM 1336 N GLY A 92 0.130 -4.690 -4.302 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.122 -5.265 -2.994 1.00 0.00 C ATOM 1338 C GLY A 92 0.123 -4.280 -1.867 1.00 0.00 C ATOM 1339 O GLY A 92 0.275 -4.680 -0.717 1.00 0.00 O ATOM 0 H GLY A 92 -0.145 -3.712 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.153 -5.615 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.517 -6.137 -2.855 1.00 0.00 H new ATOM 1343 N VAL A 93 0.190 -2.992 -2.195 1.00 0.00 N ATOM 1344 CA VAL A 93 0.237 -1.948 -1.174 1.00 0.00 C ATOM 1345 C VAL A 93 -1.092 -1.916 -0.431 1.00 0.00 C ATOM 1346 O VAL A 93 -1.179 -1.496 0.726 1.00 0.00 O ATOM 1347 CB VAL A 93 0.524 -0.553 -1.781 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.695 0.504 -0.703 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.755 -0.601 -2.668 1.00 0.00 C ATOM 0 H VAL A 93 0.213 -2.647 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 93 1.053 -2.183 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.339 -0.276 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.895 1.469 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.217 0.569 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.530 0.233 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.941 0.388 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.617 -0.914 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.592 -1.312 -3.478 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.135 -2.362 -1.121 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.462 -2.471 -0.528 1.00 0.00 C ATOM 1361 C PHE A 94 -4.199 -3.630 -1.128 1.00 0.00 C ATOM 1362 O PHE A 94 -3.646 -4.456 -1.849 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.340 -1.227 -0.759 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.597 0.052 -0.833 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.861 0.345 -1.951 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.630 0.951 0.206 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.164 1.507 -2.046 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.936 2.130 0.123 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.198 2.407 -1.004 1.00 0.00 C ATOM 0 H PHE A 94 -2.086 -2.655 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.293 -2.593 0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.899 -1.361 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.071 -1.160 0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.835 -0.359 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.206 0.727 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.587 1.724 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.969 2.838 0.938 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.644 3.332 -1.072 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.459 -3.638 -0.821 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.390 -4.592 -1.311 1.00 0.00 C ATOM 1381 C CYS A 95 -7.634 -3.826 -1.757 1.00 0.00 C ATOM 1382 O CYS A 95 -7.683 -2.624 -1.580 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.671 -5.600 -0.207 1.00 0.00 C ATOM 1384 SG CYS A 95 -7.051 -4.853 1.394 1.00 0.00 S ATOM 0 H CYS A 95 -5.879 -2.950 -0.196 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.013 -5.153 -2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.507 -6.230 -0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.804 -6.252 -0.095 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.022 -4.178 1.813 1.00 0.00 H new ATOM 1390 N SER A 96 -8.578 -4.476 -2.412 1.00 0.00 N ATOM 1391 CA SER A 96 -9.814 -3.820 -2.843 1.00 0.00 C ATOM 1392 C SER A 96 -10.794 -4.849 -3.377 1.00 0.00 C ATOM 1393 O SER A 96 -10.461 -6.018 -3.454 1.00 0.00 O ATOM 1394 CB SER A 96 -9.547 -2.759 -3.895 1.00 0.00 C ATOM 1395 OG SER A 96 -9.432 -1.482 -3.299 1.00 0.00 O ATOM 0 H SER A 96 -8.518 -5.463 -2.662 1.00 0.00 H new ATOM 0 HA SER A 96 -10.248 -3.326 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.631 -2.998 -4.435 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.355 -2.753 -4.626 1.00 0.00 H new ATOM 0 HG SER A 96 -8.814 -0.931 -3.823 1.00 0.00 H new ATOM 1401 N SER A 97 -12.009 -4.435 -3.703 1.00 0.00 N ATOM 1402 CA SER A 97 -12.991 -5.363 -4.236 1.00 0.00 C ATOM 1403 C SER A 97 -12.660 -5.637 -5.695 1.00 0.00 C ATOM 1404 O SER A 97 -13.382 -5.213 -6.594 1.00 0.00 O ATOM 1405 CB SER A 97 -14.406 -4.806 -4.099 1.00 0.00 C ATOM 1406 OG SER A 97 -15.387 -5.799 -4.352 1.00 0.00 O ATOM 0 H SER A 97 -12.335 -3.473 -3.609 1.00 0.00 H new ATOM 0 HA SER A 97 -12.954 -6.293 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.544 -4.406 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.540 -3.977 -4.794 1.00 0.00 H new ATOM 0 HG SER A 97 -16.281 -5.409 -4.254 1.00 0.00 H new