USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 719 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 11 LYS NZ :NH3+ -144:sc= 0.42! (180deg=0.613) USER MOD Set 1.2: A 58 TYR OH : rot 165:sc= -0.587! USER MOD Set 2.1: A 20 GLN : amide:sc= 0.878 K(o=0.2,f=-2.1!) USER MOD Set 2.2: A 85 LYS NZ :NH3+ -123:sc= 0.133! (180deg=0.0729) USER MOD Set 2.3: A 90 TYR OH : rot -140:sc= -0.808! USER MOD Set 3.1: A 14 HIS : +bothHN:sc= 0.167 K(o=-2.6,f=-13!) USER MOD Set 3.2: A 49 SER OG : rot 76:sc= -0.0423 USER MOD Set 3.3: A 86 SER OG : rot -80:sc= 0.465! USER MOD Set 3.4: A 91 HIS : no HD1:sc= -3.24! C(o=-2.6!,f=-24!) USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= -0.0753 (180deg=-0.596) USER MOD Single : A 12 CYS SG : rot -100:sc= -2.93! USER MOD Single : A 13 SER OG : rot 180:sc= -0.0902 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.161) USER MOD Single : A 19 LYS NZ :NH3+ -137:sc= -0.0166 (180deg=-0.208) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.939 F(o=-4!,f=-0.94) USER MOD Single : A 31 LYS NZ :NH3+ 149:sc= 0.309 (180deg=-2.12!) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= -0.143 (180deg=-0.93) USER MOD Single : A 38 LYS NZ :NH3+ 136:sc= 0.618 (180deg=-1.46!) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= -0.383! (180deg=-0.879!) USER MOD Single : A 44 SER OG : rot 172:sc= -6.34! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 93:sc= 0.43 USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= 0.203! (180deg=-2.69!) USER MOD Single : A 64 MET CE :methyl -134:sc= -1.52 (180deg=-6.15!) USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= -2.61! (180deg=-5.91!) USER MOD Single : A 76 GLN : amide:sc= 0.97 K(o=0.97,f=-0.63) USER MOD Single : A 81 SER OG : rot 139:sc= -3.1! USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 1.02! (180deg=0.0793) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.703 8.542 0.191 1.00 0.00 N ATOM 97 CA LYS A 9 -11.513 7.959 0.764 1.00 0.00 C ATOM 98 C LYS A 9 -11.142 6.700 0.038 1.00 0.00 C ATOM 99 O LYS A 9 -11.961 6.128 -0.680 1.00 0.00 O ATOM 100 CB LYS A 9 -11.703 7.719 2.251 1.00 0.00 C ATOM 101 CG LYS A 9 -11.866 9.086 2.905 1.00 0.00 C ATOM 102 CD LYS A 9 -12.070 8.950 4.400 1.00 0.00 C ATOM 103 CE LYS A 9 -12.199 10.349 4.996 1.00 0.00 C ATOM 104 NZ LYS A 9 -13.441 10.999 4.480 1.00 0.00 N ATOM 0 HA LYS A 9 -10.685 8.659 0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.580 7.098 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.846 7.191 2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.984 9.695 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.717 9.605 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.965 8.364 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.230 8.421 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.232 10.291 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.327 10.949 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.733 11.756 5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.256 11.403 3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.200 10.291 4.410 1.00 0.00 H new ATOM 118 N ILE A 10 -9.902 6.320 0.160 1.00 0.00 N ATOM 119 CA ILE A 10 -9.389 5.196 -0.572 1.00 0.00 C ATOM 120 C ILE A 10 -9.219 4.047 0.360 1.00 0.00 C ATOM 121 O ILE A 10 -8.536 4.167 1.373 1.00 0.00 O ATOM 122 CB ILE A 10 -8.015 5.534 -1.184 1.00 0.00 C ATOM 123 CG1 ILE A 10 -8.101 6.809 -2.027 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.544 4.377 -2.077 1.00 0.00 C ATOM 125 CD1 ILE A 10 -9.066 6.597 -3.198 1.00 0.00 C ATOM 0 H ILE A 10 -9.221 6.777 0.766 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.089 4.947 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.306 5.689 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.441 7.641 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.113 7.074 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.573 4.621 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.459 3.469 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.266 4.219 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.122 7.509 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.707 5.778 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.056 6.353 -2.814 1.00 0.00 H new ATOM 137 N LYS A 11 -9.774 2.919 -0.019 1.00 0.00 N ATOM 138 CA LYS A 11 -9.575 1.708 0.719 1.00 0.00 C ATOM 139 C LYS A 11 -8.353 1.031 0.165 1.00 0.00 C ATOM 140 O LYS A 11 -8.374 0.546 -0.962 1.00 0.00 O ATOM 141 CB LYS A 11 -10.769 0.785 0.530 1.00 0.00 C ATOM 142 CG LYS A 11 -12.012 1.378 1.180 1.00 0.00 C ATOM 143 CD LYS A 11 -13.214 0.476 0.861 1.00 0.00 C ATOM 144 CE LYS A 11 -13.115 -0.829 1.670 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.279 -0.955 2.576 1.00 0.00 N ATOM 0 H LYS A 11 -10.370 2.822 -0.841 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.458 1.931 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.948 0.626 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.554 -0.191 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.874 1.456 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.188 2.387 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.143 0.994 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.240 0.253 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.076 -1.683 0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.191 -0.838 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.979 -1.398 3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.669 -0.011 2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.008 -1.544 2.125 1.00 0.00 H new ATOM 159 N CYS A 12 -7.272 1.056 0.897 1.00 0.00 N ATOM 160 CA CYS A 12 -6.043 0.464 0.395 1.00 0.00 C ATOM 161 C CYS A 12 -5.242 -0.185 1.495 1.00 0.00 C ATOM 162 O CYS A 12 -5.470 0.061 2.692 1.00 0.00 O ATOM 163 CB CYS A 12 -5.196 1.509 -0.368 1.00 0.00 C ATOM 164 SG CYS A 12 -3.554 1.670 0.387 1.00 0.00 S ATOM 0 H CYS A 12 -7.207 1.470 1.827 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.324 -0.322 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.095 1.212 -1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.703 2.474 -0.359 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.524 2.730 1.140 1.00 0.00 H new ATOM 170 N SER A 13 -4.267 -0.956 1.082 1.00 0.00 N ATOM 171 CA SER A 13 -3.330 -1.569 1.979 1.00 0.00 C ATOM 172 C SER A 13 -1.931 -1.296 1.459 1.00 0.00 C ATOM 173 O SER A 13 -1.727 -1.206 0.233 1.00 0.00 O ATOM 174 CB SER A 13 -3.585 -3.077 2.055 1.00 0.00 C ATOM 175 OG SER A 13 -4.988 -3.320 2.205 1.00 0.00 O ATOM 0 H SER A 13 -4.103 -1.176 0.100 1.00 0.00 H new ATOM 0 HA SER A 13 -3.442 -1.157 2.982 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.216 -3.564 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.039 -3.506 2.895 1.00 0.00 H new ATOM 0 HG SER A 13 -5.150 -4.285 2.252 1.00 0.00 H new ATOM 181 N HIS A 14 -0.965 -1.160 2.356 1.00 0.00 N ATOM 182 CA HIS A 14 0.395 -0.877 1.925 1.00 0.00 C ATOM 183 C HIS A 14 1.418 -1.737 2.637 1.00 0.00 C ATOM 184 O HIS A 14 1.242 -2.118 3.801 1.00 0.00 O ATOM 185 CB HIS A 14 0.721 0.633 2.045 1.00 0.00 C ATOM 186 CG HIS A 14 1.637 0.932 3.214 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.825 1.626 3.053 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.542 0.650 4.560 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.393 1.749 4.272 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.653 1.171 5.221 1.00 0.00 N ATOM 0 H HIS A 14 -1.093 -1.239 3.365 1.00 0.00 H new ATOM 0 HA HIS A 14 0.456 -1.142 0.870 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.189 0.976 1.122 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.206 1.195 2.160 1.00 0.00 H new ATOM 0 HD1 HIS A 14 3.202 1.980 2.174 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.733 0.110 5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.330 2.253 4.456 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.857 1.121 6.219 1.00 0.00 H new ATOM 198 N ILE A 15 2.490 -2.004 1.933 1.00 0.00 N ATOM 199 CA ILE A 15 3.609 -2.759 2.439 1.00 0.00 C ATOM 200 C ILE A 15 4.856 -1.915 2.296 1.00 0.00 C ATOM 201 O ILE A 15 5.121 -1.388 1.221 1.00 0.00 O ATOM 202 CB ILE A 15 3.752 -4.059 1.632 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.520 -4.938 1.850 1.00 0.00 C ATOM 204 CG2 ILE A 15 5.004 -4.829 2.055 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.530 -6.088 0.840 1.00 0.00 C ATOM 0 H ILE A 15 2.611 -1.695 0.969 1.00 0.00 H new ATOM 0 HA ILE A 15 3.456 -3.014 3.488 1.00 0.00 H new ATOM 0 HB ILE A 15 3.842 -3.799 0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.516 -5.332 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.612 -4.346 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.083 -5.745 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.886 -4.212 1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.937 -5.080 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.652 -6.715 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.514 -5.684 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.431 -6.685 0.977 1.00 0.00 H new ATOM 217 N LEU A 16 5.611 -1.770 3.364 1.00 0.00 N ATOM 218 CA LEU A 16 6.823 -0.969 3.307 1.00 0.00 C ATOM 219 C LEU A 16 8.025 -1.892 3.238 1.00 0.00 C ATOM 220 O LEU A 16 8.180 -2.780 4.088 1.00 0.00 O ATOM 221 CB LEU A 16 6.907 -0.049 4.546 1.00 0.00 C ATOM 222 CG LEU A 16 8.099 0.924 4.424 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.907 1.851 3.215 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.193 1.776 5.696 1.00 0.00 C ATOM 0 H LEU A 16 5.414 -2.189 4.273 1.00 0.00 H new ATOM 0 HA LEU A 16 6.808 -0.339 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.980 0.515 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.015 -0.653 5.447 1.00 0.00 H new ATOM 0 HG LEU A 16 9.013 0.346 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.755 2.532 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.840 1.254 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.989 2.426 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.034 2.464 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.271 2.344 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.340 1.127 6.559 1.00 0.00 H new ATOM 236 N VAL A 17 8.833 -1.717 2.204 1.00 0.00 N ATOM 237 CA VAL A 17 9.990 -2.565 1.965 1.00 0.00 C ATOM 238 C VAL A 17 11.261 -1.741 1.864 1.00 0.00 C ATOM 239 O VAL A 17 11.253 -0.612 1.361 1.00 0.00 O ATOM 240 CB VAL A 17 9.802 -3.372 0.667 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.709 -4.419 0.856 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.402 -2.433 -0.477 1.00 0.00 C ATOM 0 H VAL A 17 8.705 -0.983 1.507 1.00 0.00 H new ATOM 0 HA VAL A 17 10.081 -3.248 2.810 1.00 0.00 H new ATOM 0 HB VAL A 17 10.742 -3.867 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.583 -4.985 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.990 -5.097 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.771 -3.924 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.271 -3.010 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.467 -1.932 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.184 -1.688 -0.627 1.00 0.00 H new ATOM 252 N LYS A 18 12.356 -2.329 2.297 1.00 0.00 N ATOM 253 CA LYS A 18 13.652 -1.700 2.182 1.00 0.00 C ATOM 254 C LYS A 18 14.057 -1.578 0.712 1.00 0.00 C ATOM 255 O LYS A 18 14.677 -0.587 0.306 1.00 0.00 O ATOM 256 CB LYS A 18 14.700 -2.520 2.939 1.00 0.00 C ATOM 257 CG LYS A 18 14.437 -2.462 4.451 1.00 0.00 C ATOM 258 CD LYS A 18 15.476 -3.330 5.180 1.00 0.00 C ATOM 259 CE LYS A 18 15.195 -3.327 6.689 1.00 0.00 C ATOM 260 NZ LYS A 18 15.501 -1.986 7.249 1.00 0.00 N ATOM 0 H LYS A 18 12.372 -3.250 2.735 1.00 0.00 H new ATOM 0 HA LYS A 18 13.593 -0.702 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.676 -3.555 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.697 -2.136 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.495 -1.432 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.430 -2.818 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.443 -4.350 4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.479 -2.950 4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.152 -3.581 6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.801 -4.086 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.508 -2.037 8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.434 -1.673 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.776 -1.307 6.941 1.00 0.00 H new ATOM 274 N LYS A 19 13.809 -2.642 -0.049 1.00 0.00 N ATOM 275 CA LYS A 19 14.258 -2.717 -1.443 1.00 0.00 C ATOM 276 C LYS A 19 13.108 -2.705 -2.444 1.00 0.00 C ATOM 277 O LYS A 19 12.057 -3.323 -2.226 1.00 0.00 O ATOM 278 CB LYS A 19 15.097 -3.979 -1.672 1.00 0.00 C ATOM 279 CG LYS A 19 16.379 -3.942 -0.832 1.00 0.00 C ATOM 280 CD LYS A 19 17.281 -2.790 -1.307 1.00 0.00 C ATOM 281 CE LYS A 19 18.736 -3.109 -0.960 1.00 0.00 C ATOM 282 NZ LYS A 19 19.248 -4.108 -1.932 1.00 0.00 N ATOM 0 H LYS A 19 13.300 -3.465 0.273 1.00 0.00 H new ATOM 0 HA LYS A 19 14.858 -1.823 -1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.512 -4.862 -1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.352 -4.065 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.131 -3.811 0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.909 -4.890 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.174 -2.650 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.978 -1.857 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.341 -2.203 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.806 -3.499 0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.800 -4.831 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.448 -4.560 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.855 -3.633 -2.630 1.00 0.00 H new ATOM 296 N GLN A 20 13.396 -2.184 -3.628 1.00 0.00 N ATOM 297 CA GLN A 20 12.468 -2.267 -4.736 1.00 0.00 C ATOM 298 C GLN A 20 12.285 -3.731 -5.117 1.00 0.00 C ATOM 299 O GLN A 20 11.201 -4.157 -5.521 1.00 0.00 O ATOM 300 CB GLN A 20 12.985 -1.469 -5.940 1.00 0.00 C ATOM 301 CG GLN A 20 13.035 0.024 -5.589 1.00 0.00 C ATOM 302 CD GLN A 20 13.590 0.822 -6.764 1.00 0.00 C ATOM 303 OE1 GLN A 20 13.698 0.295 -7.877 1.00 0.00 O ATOM 304 NE2 GLN A 20 13.961 2.050 -6.591 1.00 0.00 N ATOM 0 H GLN A 20 14.268 -1.699 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 20 11.511 -1.840 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.978 -1.820 -6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.335 -1.628 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.036 0.380 -5.338 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.659 0.178 -4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.872 2.485 -5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.342 2.583 -7.373 1.00 0.00 H new ATOM 313 N GLY A 21 13.361 -4.499 -4.992 1.00 0.00 N ATOM 314 CA GLY A 21 13.325 -5.924 -5.294 1.00 0.00 C ATOM 315 C GLY A 21 12.360 -6.624 -4.369 1.00 0.00 C ATOM 316 O GLY A 21 11.583 -7.480 -4.798 1.00 0.00 O ATOM 0 H GLY A 21 14.271 -4.157 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.024 -6.077 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.321 -6.352 -5.185 1.00 0.00 H new ATOM 320 N GLU A 22 12.342 -6.181 -3.124 1.00 0.00 N ATOM 321 CA GLU A 22 11.413 -6.697 -2.143 1.00 0.00 C ATOM 322 C GLU A 22 9.995 -6.342 -2.552 1.00 0.00 C ATOM 323 O GLU A 22 9.095 -7.182 -2.506 1.00 0.00 O ATOM 324 CB GLU A 22 11.727 -6.083 -0.779 1.00 0.00 C ATOM 325 CG GLU A 22 13.071 -6.625 -0.268 1.00 0.00 C ATOM 326 CD GLU A 22 13.524 -5.874 0.982 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.861 -4.928 1.371 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.539 -6.245 1.523 1.00 0.00 O ATOM 0 H GLU A 22 12.968 -5.458 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 22 11.507 -7.781 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.768 -4.997 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.934 -6.321 -0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.977 -7.688 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.826 -6.529 -1.048 1.00 0.00 H new ATOM 335 N ALA A 23 9.815 -5.110 -3.025 1.00 0.00 N ATOM 336 CA ALA A 23 8.505 -4.678 -3.503 1.00 0.00 C ATOM 337 C ALA A 23 8.022 -5.595 -4.621 1.00 0.00 C ATOM 338 O ALA A 23 6.902 -6.101 -4.581 1.00 0.00 O ATOM 339 CB ALA A 23 8.540 -3.224 -3.986 1.00 0.00 C ATOM 0 H ALA A 23 10.548 -4.403 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 23 7.807 -4.737 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.549 -2.933 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.840 -2.575 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.255 -3.129 -4.803 1.00 0.00 H new ATOM 345 N LEU A 24 8.900 -5.870 -5.574 1.00 0.00 N ATOM 346 CA LEU A 24 8.571 -6.810 -6.642 1.00 0.00 C ATOM 347 C LEU A 24 8.329 -8.194 -6.071 1.00 0.00 C ATOM 348 O LEU A 24 7.374 -8.878 -6.454 1.00 0.00 O ATOM 349 CB LEU A 24 9.689 -6.866 -7.699 1.00 0.00 C ATOM 350 CG LEU A 24 9.525 -5.732 -8.735 1.00 0.00 C ATOM 351 CD1 LEU A 24 8.539 -6.167 -9.820 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.014 -4.449 -8.071 1.00 0.00 C ATOM 0 H LEU A 24 9.834 -5.464 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 24 7.660 -6.459 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.660 -6.781 -7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.669 -7.832 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 24 10.501 -5.529 -9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.425 -5.366 -10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.917 -7.060 -10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.572 -6.386 -9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.908 -3.667 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.046 -4.640 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.724 -4.126 -7.310 1.00 0.00 H new ATOM 364 N ALA A 25 9.175 -8.595 -5.133 1.00 0.00 N ATOM 365 CA ALA A 25 9.057 -9.905 -4.517 1.00 0.00 C ATOM 366 C ALA A 25 7.684 -10.085 -3.900 1.00 0.00 C ATOM 367 O ALA A 25 7.004 -11.079 -4.158 1.00 0.00 O ATOM 368 CB ALA A 25 10.136 -10.111 -3.452 1.00 0.00 C ATOM 0 H ALA A 25 9.950 -8.031 -4.783 1.00 0.00 H new ATOM 0 HA ALA A 25 9.194 -10.652 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.024 -11.100 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.121 -10.029 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.033 -9.351 -2.678 1.00 0.00 H new ATOM 374 N VAL A 26 7.260 -9.115 -3.102 1.00 0.00 N ATOM 375 CA VAL A 26 5.950 -9.204 -2.492 1.00 0.00 C ATOM 376 C VAL A 26 4.851 -9.152 -3.549 1.00 0.00 C ATOM 377 O VAL A 26 3.893 -9.907 -3.483 1.00 0.00 O ATOM 378 CB VAL A 26 5.741 -8.139 -1.399 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.896 -8.191 -0.391 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.675 -6.744 -2.012 1.00 0.00 C ATOM 0 H VAL A 26 7.793 -8.277 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 26 5.890 -10.172 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 26 4.799 -8.350 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.741 -7.435 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.932 -9.178 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.837 -7.997 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.527 -6.007 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.607 -6.532 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.844 -6.695 -2.715 1.00 0.00 H new ATOM 390 N GLN A 27 5.016 -8.291 -4.548 1.00 0.00 N ATOM 391 CA GLN A 27 4.013 -8.192 -5.602 1.00 0.00 C ATOM 392 C GLN A 27 3.854 -9.513 -6.313 1.00 0.00 C ATOM 393 O GLN A 27 2.738 -10.005 -6.464 1.00 0.00 O ATOM 394 CB GLN A 27 4.382 -7.099 -6.611 1.00 0.00 C ATOM 395 CG GLN A 27 4.179 -5.732 -5.970 1.00 0.00 C ATOM 396 CD GLN A 27 4.597 -4.630 -6.927 1.00 0.00 C ATOM 397 OE1 GLN A 27 5.287 -3.637 -6.478 1.00 0.00 O flip ATOM 398 NE2 GLN A 27 4.266 -4.669 -8.112 1.00 0.00 N flip ATOM 0 H GLN A 27 5.815 -7.665 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 27 3.065 -7.927 -5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.419 -7.215 -6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.764 -7.190 -7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.132 -5.605 -5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.761 -5.664 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.720 -5.456 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.537 -3.914 -8.742 1.00 0.00 H new ATOM 407 N GLU A 28 4.964 -10.122 -6.680 1.00 0.00 N ATOM 408 CA GLU A 28 4.927 -11.420 -7.320 1.00 0.00 C ATOM 409 C GLU A 28 4.418 -12.478 -6.363 1.00 0.00 C ATOM 410 O GLU A 28 3.614 -13.340 -6.735 1.00 0.00 O ATOM 411 CB GLU A 28 6.290 -11.778 -7.898 1.00 0.00 C ATOM 412 CG GLU A 28 6.576 -10.807 -9.052 1.00 0.00 C ATOM 413 CD GLU A 28 5.546 -10.998 -10.153 1.00 0.00 C ATOM 414 OE1 GLU A 28 5.558 -12.037 -10.775 1.00 0.00 O ATOM 415 OE2 GLU A 28 4.767 -10.097 -10.371 1.00 0.00 O ATOM 0 H GLU A 28 5.900 -9.739 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 28 4.226 -11.376 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.062 -11.701 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.296 -12.808 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.548 -9.779 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.578 -10.980 -9.445 1.00 0.00 H new ATOM 422 N ARG A 29 4.801 -12.348 -5.112 1.00 0.00 N ATOM 423 CA ARG A 29 4.316 -13.233 -4.073 1.00 0.00 C ATOM 424 C ARG A 29 2.791 -13.123 -3.945 1.00 0.00 C ATOM 425 O ARG A 29 2.090 -14.133 -3.842 1.00 0.00 O ATOM 426 CB ARG A 29 5.010 -12.930 -2.747 1.00 0.00 C ATOM 427 CG ARG A 29 4.545 -13.927 -1.700 1.00 0.00 C ATOM 428 CD ARG A 29 5.296 -13.702 -0.395 1.00 0.00 C ATOM 429 NE ARG A 29 4.768 -14.588 0.623 1.00 0.00 N ATOM 430 CZ ARG A 29 5.049 -14.444 1.909 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.883 -13.535 2.307 1.00 0.00 N ATOM 432 NH2 ARG A 29 4.494 -15.221 2.761 1.00 0.00 N ATOM 0 H ARG A 29 5.452 -11.633 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 29 4.555 -14.261 -4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.092 -12.989 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.780 -11.914 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.473 -13.820 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.713 -14.944 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.360 -13.888 -0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.194 -12.664 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 29 4.156 -15.352 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.331 -12.921 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.091 -13.434 3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.844 -15.941 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.702 -15.120 3.754 1.00 0.00 H new ATOM 446 N LEU A 30 2.278 -11.901 -4.027 1.00 0.00 N ATOM 447 CA LEU A 30 0.829 -11.672 -3.976 1.00 0.00 C ATOM 448 C LEU A 30 0.136 -12.394 -5.117 1.00 0.00 C ATOM 449 O LEU A 30 -0.967 -12.932 -4.947 1.00 0.00 O ATOM 450 CB LEU A 30 0.490 -10.162 -4.043 1.00 0.00 C ATOM 451 CG LEU A 30 0.389 -9.525 -2.639 1.00 0.00 C ATOM 452 CD1 LEU A 30 -0.833 -10.084 -1.901 1.00 0.00 C ATOM 453 CD2 LEU A 30 1.651 -9.778 -1.816 1.00 0.00 C ATOM 0 H LEU A 30 2.836 -11.053 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 30 0.472 -12.065 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.256 -9.645 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.454 -10.026 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 30 0.281 -8.448 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.899 -9.631 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.736 -9.854 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.734 -11.165 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.544 -9.316 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.799 -10.851 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.512 -9.348 -2.328 1.00 0.00 H new ATOM 465 N LYS A 31 0.758 -12.392 -6.282 1.00 0.00 N ATOM 466 CA LYS A 31 0.157 -13.032 -7.453 1.00 0.00 C ATOM 467 C LYS A 31 -0.025 -14.517 -7.147 1.00 0.00 C ATOM 468 O LYS A 31 -0.951 -15.164 -7.643 1.00 0.00 O ATOM 469 CB LYS A 31 1.058 -12.923 -8.701 1.00 0.00 C ATOM 470 CG LYS A 31 1.823 -11.592 -8.754 1.00 0.00 C ATOM 471 CD LYS A 31 0.894 -10.373 -8.761 1.00 0.00 C ATOM 472 CE LYS A 31 1.697 -9.148 -9.242 1.00 0.00 C ATOM 473 NZ LYS A 31 2.404 -9.482 -10.511 1.00 0.00 N ATOM 0 H LYS A 31 1.668 -11.962 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.788 -12.530 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.769 -13.749 -8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.447 -13.024 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.492 -11.528 -7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.447 -11.572 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.043 -10.550 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.494 -10.196 -7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.029 -8.301 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.417 -8.850 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.492 -8.626 -11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.352 -9.851 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.863 -10.202 -11.031 1.00 0.00 H new ATOM 487 N ALA A 32 0.919 -15.064 -6.385 1.00 0.00 N ATOM 488 CA ALA A 32 0.918 -16.483 -6.050 1.00 0.00 C ATOM 489 C ALA A 32 -0.276 -16.839 -5.168 1.00 0.00 C ATOM 490 O ALA A 32 -0.560 -18.016 -4.940 1.00 0.00 O ATOM 491 CB ALA A 32 2.225 -16.877 -5.352 1.00 0.00 C ATOM 0 H ALA A 32 1.699 -14.541 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 32 0.836 -17.043 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.203 -17.940 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.067 -16.672 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.336 -16.299 -4.434 1.00 0.00 H new ATOM 497 N GLY A 33 -0.980 -15.831 -4.683 1.00 0.00 N ATOM 498 CA GLY A 33 -2.162 -16.063 -3.855 1.00 0.00 C ATOM 499 C GLY A 33 -1.891 -15.769 -2.394 1.00 0.00 C ATOM 500 O GLY A 33 -2.800 -15.837 -1.563 1.00 0.00 O ATOM 0 H GLY A 33 -0.760 -14.848 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.981 -15.435 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.485 -17.098 -3.964 1.00 0.00 H new ATOM 504 N GLU A 34 -0.667 -15.368 -2.087 1.00 0.00 N ATOM 505 CA GLU A 34 -0.338 -14.967 -0.732 1.00 0.00 C ATOM 506 C GLU A 34 -1.120 -13.716 -0.389 1.00 0.00 C ATOM 507 O GLU A 34 -1.366 -12.874 -1.258 1.00 0.00 O ATOM 508 CB GLU A 34 1.165 -14.701 -0.604 1.00 0.00 C ATOM 509 CG GLU A 34 1.936 -16.019 -0.758 1.00 0.00 C ATOM 510 CD GLU A 34 2.061 -16.727 0.580 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.977 -16.423 1.300 1.00 0.00 O ATOM 512 OE2 GLU A 34 1.232 -17.556 0.881 1.00 0.00 O ATOM 0 H GLU A 34 0.106 -15.312 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.602 -15.768 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.485 -13.990 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.384 -14.251 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.423 -16.665 -1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.928 -15.821 -1.164 1.00 0.00 H new ATOM 519 N LYS A 35 -1.571 -13.624 0.841 1.00 0.00 N ATOM 520 CA LYS A 35 -2.366 -12.483 1.253 1.00 0.00 C ATOM 521 C LYS A 35 -1.511 -11.240 1.382 1.00 0.00 C ATOM 522 O LYS A 35 -0.388 -11.285 1.890 1.00 0.00 O ATOM 523 CB LYS A 35 -3.105 -12.759 2.568 1.00 0.00 C ATOM 524 CG LYS A 35 -4.553 -13.163 2.262 1.00 0.00 C ATOM 525 CD LYS A 35 -5.262 -13.577 3.556 1.00 0.00 C ATOM 526 CE LYS A 35 -6.716 -13.944 3.239 1.00 0.00 C ATOM 527 NZ LYS A 35 -7.394 -12.766 2.628 1.00 0.00 N ATOM 0 H LYS A 35 -1.405 -14.317 1.570 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.111 -12.311 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.603 -13.553 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.089 -11.871 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.082 -12.331 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.567 -13.988 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.751 -14.426 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.229 -12.762 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.749 -14.793 2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.235 -14.246 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.368 -12.701 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.875 -11.900 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.414 -12.875 1.594 1.00 0.00 H new ATOM 541 N PHE A 36 -2.074 -10.124 0.981 1.00 0.00 N ATOM 542 CA PHE A 36 -1.396 -8.854 1.080 1.00 0.00 C ATOM 543 C PHE A 36 -1.052 -8.615 2.540 1.00 0.00 C ATOM 544 O PHE A 36 0.089 -8.314 2.887 1.00 0.00 O ATOM 545 CB PHE A 36 -2.313 -7.742 0.562 1.00 0.00 C ATOM 546 CG PHE A 36 -1.550 -6.448 0.447 1.00 0.00 C ATOM 547 CD1 PHE A 36 -0.846 -6.163 -0.728 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.551 -5.532 1.504 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.149 -4.960 -0.848 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.849 -4.330 1.383 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.149 -4.044 0.205 1.00 0.00 C ATOM 0 H PHE A 36 -3.010 -10.071 0.579 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.486 -8.858 0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.720 -8.020 -0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.159 -7.615 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.842 -6.873 -1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.093 -5.753 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.391 -4.738 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.846 -3.622 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.392 -3.114 0.111 1.00 0.00 H new ATOM 561 N GLY A 37 -2.027 -8.869 3.401 1.00 0.00 N ATOM 562 CA GLY A 37 -1.823 -8.758 4.834 1.00 0.00 C ATOM 563 C GLY A 37 -0.744 -9.722 5.307 1.00 0.00 C ATOM 564 O GLY A 37 0.048 -9.392 6.192 1.00 0.00 O ATOM 0 H GLY A 37 -2.968 -9.154 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.539 -7.736 5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.757 -8.968 5.355 1.00 0.00 H new ATOM 568 N LYS A 38 -0.679 -10.896 4.678 1.00 0.00 N ATOM 569 CA LYS A 38 0.335 -11.884 5.025 1.00 0.00 C ATOM 570 C LYS A 38 1.715 -11.287 4.774 1.00 0.00 C ATOM 571 O LYS A 38 2.549 -11.236 5.675 1.00 0.00 O ATOM 572 CB LYS A 38 0.140 -13.154 4.165 1.00 0.00 C ATOM 573 CG LYS A 38 1.114 -14.263 4.589 1.00 0.00 C ATOM 574 CD LYS A 38 0.853 -15.521 3.737 1.00 0.00 C ATOM 575 CE LYS A 38 1.798 -16.649 4.173 1.00 0.00 C ATOM 576 NZ LYS A 38 1.539 -17.872 3.366 1.00 0.00 N ATOM 0 H LYS A 38 -1.313 -11.182 3.932 1.00 0.00 H new ATOM 0 HA LYS A 38 0.243 -12.156 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.886 -13.509 4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.295 -12.912 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.143 -13.929 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.984 -14.492 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.184 -15.839 3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.005 -15.295 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.834 -16.334 4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.655 -16.865 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.444 -18.291 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.009 -18.560 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.983 -17.621 2.524 1.00 0.00 H new ATOM 590 N LEU A 39 1.874 -10.681 3.609 1.00 0.00 N ATOM 591 CA LEU A 39 3.093 -9.955 3.281 1.00 0.00 C ATOM 592 C LEU A 39 3.285 -8.790 4.211 1.00 0.00 C ATOM 593 O LEU A 39 4.405 -8.480 4.610 1.00 0.00 O ATOM 594 CB LEU A 39 3.062 -9.448 1.831 1.00 0.00 C ATOM 595 CG LEU A 39 3.633 -10.502 0.880 1.00 0.00 C ATOM 596 CD1 LEU A 39 5.138 -10.627 1.121 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.948 -11.858 1.117 1.00 0.00 C ATOM 0 H LEU A 39 1.171 -10.677 2.870 1.00 0.00 H new ATOM 0 HA LEU A 39 3.927 -10.648 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.038 -9.209 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.638 -8.527 1.750 1.00 0.00 H new ATOM 0 HG LEU A 39 3.450 -10.198 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.553 -11.376 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.617 -9.666 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.317 -10.928 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.363 -12.600 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.118 -12.177 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.877 -11.761 0.939 1.00 0.00 H new ATOM 609 N ALA A 40 2.209 -8.102 4.506 1.00 0.00 N ATOM 610 CA ALA A 40 2.296 -6.939 5.355 1.00 0.00 C ATOM 611 C ALA A 40 2.846 -7.330 6.705 1.00 0.00 C ATOM 612 O ALA A 40 3.789 -6.723 7.203 1.00 0.00 O ATOM 613 CB ALA A 40 0.935 -6.266 5.511 1.00 0.00 C ATOM 0 H ALA A 40 1.270 -8.324 4.174 1.00 0.00 H new ATOM 0 HA ALA A 40 2.971 -6.222 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.033 -5.393 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.569 -5.955 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.230 -6.969 5.956 1.00 0.00 H new ATOM 619 N LYS A 41 2.266 -8.356 7.290 1.00 0.00 N ATOM 620 CA LYS A 41 2.734 -8.835 8.575 1.00 0.00 C ATOM 621 C LYS A 41 4.135 -9.405 8.461 1.00 0.00 C ATOM 622 O LYS A 41 4.987 -9.179 9.329 1.00 0.00 O ATOM 623 CB LYS A 41 1.795 -9.916 9.101 1.00 0.00 C ATOM 624 CG LYS A 41 0.445 -9.295 9.442 1.00 0.00 C ATOM 625 CD LYS A 41 -0.499 -10.373 9.981 1.00 0.00 C ATOM 626 CE LYS A 41 -1.878 -9.762 10.223 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.767 -8.591 11.128 1.00 0.00 N ATOM 0 H LYS A 41 1.476 -8.871 6.901 1.00 0.00 H new ATOM 0 HA LYS A 41 2.751 -7.992 9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.669 -10.698 8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.224 -10.387 9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.574 -8.507 10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.013 -8.831 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.573 -11.196 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.104 -10.787 10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.321 -9.457 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.543 -10.507 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.696 -8.133 11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.444 -8.906 12.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.083 -7.913 10.736 1.00 0.00 H new ATOM 641 N GLU A 42 4.345 -10.206 7.434 1.00 0.00 N ATOM 642 CA GLU A 42 5.600 -10.912 7.265 1.00 0.00 C ATOM 643 C GLU A 42 6.770 -10.020 6.858 1.00 0.00 C ATOM 644 O GLU A 42 7.915 -10.284 7.249 1.00 0.00 O ATOM 645 CB GLU A 42 5.441 -12.031 6.232 1.00 0.00 C ATOM 646 CG GLU A 42 4.580 -13.181 6.782 1.00 0.00 C ATOM 647 CD GLU A 42 4.519 -14.314 5.765 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.267 -14.269 4.817 1.00 0.00 O ATOM 649 OE2 GLU A 42 3.739 -15.211 5.952 1.00 0.00 O ATOM 0 H GLU A 42 3.659 -10.384 6.701 1.00 0.00 H new ATOM 0 HA GLU A 42 5.842 -11.318 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.983 -11.631 5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.423 -12.411 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.999 -13.545 7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.574 -12.822 7.000 1.00 0.00 H new ATOM 656 N LEU A 43 6.530 -9.134 5.907 1.00 0.00 N ATOM 657 CA LEU A 43 7.608 -8.405 5.252 1.00 0.00 C ATOM 658 C LEU A 43 7.616 -6.905 5.565 1.00 0.00 C ATOM 659 O LEU A 43 8.687 -6.306 5.694 1.00 0.00 O ATOM 660 CB LEU A 43 7.578 -8.715 3.725 1.00 0.00 C ATOM 661 CG LEU A 43 8.277 -7.644 2.873 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.437 -6.371 2.845 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.690 -7.348 3.399 1.00 0.00 C ATOM 0 H LEU A 43 5.597 -8.900 5.569 1.00 0.00 H new ATOM 0 HA LEU A 43 8.555 -8.756 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.055 -9.679 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.542 -8.808 3.401 1.00 0.00 H new ATOM 0 HG LEU A 43 8.376 -8.026 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.939 -5.617 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.459 -6.590 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.311 -5.996 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.158 -6.587 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.628 -6.988 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.288 -8.259 3.369 1.00 0.00 H new ATOM 675 N SER A 44 6.448 -6.275 5.638 1.00 0.00 N ATOM 676 CA SER A 44 6.426 -4.824 5.823 1.00 0.00 C ATOM 677 C SER A 44 7.266 -4.408 7.009 1.00 0.00 C ATOM 678 O SER A 44 7.145 -4.976 8.097 1.00 0.00 O ATOM 679 CB SER A 44 5.007 -4.295 6.005 1.00 0.00 C ATOM 680 OG SER A 44 4.257 -4.530 4.825 1.00 0.00 O ATOM 0 H SER A 44 5.534 -6.724 5.575 1.00 0.00 H new ATOM 0 HA SER A 44 6.846 -4.392 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.531 -4.786 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.031 -3.228 6.226 1.00 0.00 H new ATOM 0 HG SER A 44 3.316 -4.309 4.986 1.00 0.00 H new ATOM 686 N ILE A 45 8.051 -3.355 6.818 1.00 0.00 N ATOM 687 CA ILE A 45 8.847 -2.794 7.896 1.00 0.00 C ATOM 688 C ILE A 45 8.022 -1.762 8.655 1.00 0.00 C ATOM 689 O ILE A 45 8.397 -1.318 9.746 1.00 0.00 O ATOM 690 CB ILE A 45 10.150 -2.189 7.349 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.839 -1.087 6.329 1.00 0.00 C ATOM 692 CG2 ILE A 45 10.969 -3.288 6.660 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.141 -0.402 5.895 1.00 0.00 C ATOM 0 H ILE A 45 8.152 -2.874 5.924 1.00 0.00 H new ATOM 0 HA ILE A 45 9.127 -3.586 8.590 1.00 0.00 H new ATOM 0 HB ILE A 45 10.714 -1.761 8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.334 -1.513 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.160 -0.355 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.894 -2.863 6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.205 -4.072 7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.391 -3.712 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.916 0.380 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.628 0.038 6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.805 -1.137 5.441 1.00 0.00 H new ATOM 705 N ASP A 46 6.823 -1.493 8.130 1.00 0.00 N ATOM 706 CA ASP A 46 5.842 -0.659 8.813 1.00 0.00 C ATOM 707 C ASP A 46 5.045 -1.537 9.754 1.00 0.00 C ATOM 708 O ASP A 46 4.062 -2.172 9.351 1.00 0.00 O ATOM 709 CB ASP A 46 4.892 -0.008 7.782 1.00 0.00 C ATOM 710 CG ASP A 46 3.854 0.898 8.452 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.669 0.814 9.648 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.226 1.654 7.738 1.00 0.00 O ATOM 0 H ASP A 46 6.511 -1.847 7.226 1.00 0.00 H new ATOM 0 HA ASP A 46 6.348 0.131 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.475 0.574 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.382 -0.787 7.216 1.00 0.00 H new ATOM 717 N GLY A 47 5.511 -1.631 10.978 1.00 0.00 N ATOM 718 CA GLY A 47 4.894 -2.500 11.959 1.00 0.00 C ATOM 719 C GLY A 47 3.467 -2.086 12.207 1.00 0.00 C ATOM 720 O GLY A 47 2.556 -2.914 12.180 1.00 0.00 O ATOM 0 H GLY A 47 6.320 -1.114 11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.924 -3.532 11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.457 -2.463 12.892 1.00 0.00 H new ATOM 724 N GLY A 48 3.244 -0.789 12.334 1.00 0.00 N ATOM 725 CA GLY A 48 1.897 -0.292 12.554 1.00 0.00 C ATOM 726 C GLY A 48 0.983 -0.803 11.469 1.00 0.00 C ATOM 727 O GLY A 48 -0.098 -1.333 11.745 1.00 0.00 O ATOM 0 H GLY A 48 3.966 -0.070 12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.535 -0.615 13.530 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.897 0.798 12.559 1.00 0.00 H new ATOM 731 N SER A 49 1.455 -0.744 10.247 1.00 0.00 N ATOM 732 CA SER A 49 0.711 -1.291 9.141 1.00 0.00 C ATOM 733 C SER A 49 0.721 -2.819 9.185 1.00 0.00 C ATOM 734 O SER A 49 -0.268 -3.456 8.856 1.00 0.00 O ATOM 735 CB SER A 49 1.290 -0.795 7.821 1.00 0.00 C ATOM 736 OG SER A 49 0.986 0.594 7.670 1.00 0.00 O ATOM 0 H SER A 49 2.349 -0.323 9.995 1.00 0.00 H new ATOM 0 HA SER A 49 -0.322 -0.954 9.221 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.369 -0.948 7.802 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.873 -1.364 6.990 1.00 0.00 H new ATOM 0 HG SER A 49 1.572 1.122 8.251 1.00 0.00 H new ATOM 742 N ALA A 50 1.821 -3.397 9.660 1.00 0.00 N ATOM 743 CA ALA A 50 1.942 -4.853 9.756 1.00 0.00 C ATOM 744 C ALA A 50 0.942 -5.386 10.754 1.00 0.00 C ATOM 745 O ALA A 50 0.265 -6.389 10.522 1.00 0.00 O ATOM 746 CB ALA A 50 3.363 -5.250 10.176 1.00 0.00 C ATOM 0 H ALA A 50 2.640 -2.883 9.984 1.00 0.00 H new ATOM 0 HA ALA A 50 1.737 -5.284 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.433 -6.336 10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.076 -4.885 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.591 -4.812 11.148 1.00 0.00 H new ATOM 752 N LYS A 51 0.784 -4.638 11.810 1.00 0.00 N ATOM 753 CA LYS A 51 -0.162 -4.944 12.842 1.00 0.00 C ATOM 754 C LYS A 51 -1.558 -4.945 12.254 1.00 0.00 C ATOM 755 O LYS A 51 -2.390 -5.779 12.599 1.00 0.00 O ATOM 756 CB LYS A 51 -0.034 -3.895 13.945 1.00 0.00 C ATOM 757 CG LYS A 51 1.326 -4.084 14.647 1.00 0.00 C ATOM 758 CD LYS A 51 1.596 -2.936 15.619 1.00 0.00 C ATOM 759 CE LYS A 51 0.507 -2.900 16.682 1.00 0.00 C ATOM 760 NZ LYS A 51 0.984 -2.126 17.853 1.00 0.00 N ATOM 0 H LYS A 51 1.318 -3.786 11.979 1.00 0.00 H new ATOM 0 HA LYS A 51 0.033 -5.929 13.265 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.106 -2.892 13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.848 -3.999 14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.335 -5.032 15.185 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.121 -4.132 13.903 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.572 -3.065 16.088 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.624 -1.989 15.080 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.397 -2.446 16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.246 -3.914 16.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.240 -2.101 18.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.835 -2.578 18.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.212 -1.155 17.558 1.00 0.00 H new ATOM 774 N ARG A 52 -1.793 -4.028 11.331 1.00 0.00 N ATOM 775 CA ARG A 52 -3.082 -3.919 10.671 1.00 0.00 C ATOM 776 C ARG A 52 -3.065 -4.632 9.315 1.00 0.00 C ATOM 777 O ARG A 52 -3.906 -4.374 8.444 1.00 0.00 O ATOM 778 CB ARG A 52 -3.476 -2.455 10.512 1.00 0.00 C ATOM 779 CG ARG A 52 -3.496 -1.792 11.899 1.00 0.00 C ATOM 780 CD ARG A 52 -4.169 -0.420 11.816 1.00 0.00 C ATOM 781 NE ARG A 52 -3.504 0.437 10.839 1.00 0.00 N ATOM 782 CZ ARG A 52 -2.402 1.128 11.120 1.00 0.00 C ATOM 783 NH1 ARG A 52 -1.814 0.978 12.272 1.00 0.00 N ATOM 784 NH2 ARG A 52 -1.906 1.940 10.233 1.00 0.00 N ATOM 0 H ARG A 52 -1.103 -3.344 11.020 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.829 -4.409 11.295 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.769 -1.943 9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.457 -2.377 10.043 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.031 -2.426 12.606 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.478 -1.684 12.274 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.217 -0.542 11.542 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.149 0.058 12.796 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.901 0.509 9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.198 0.330 12.960 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.969 1.508 12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.362 2.045 9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.062 2.472 10.444 1.00 0.00 H new ATOM 798 N ASP A 53 -2.115 -5.546 9.154 1.00 0.00 N ATOM 799 CA ASP A 53 -1.986 -6.364 7.940 1.00 0.00 C ATOM 800 C ASP A 53 -1.824 -5.480 6.712 1.00 0.00 C ATOM 801 O ASP A 53 -2.295 -5.813 5.626 1.00 0.00 O ATOM 802 CB ASP A 53 -3.214 -7.297 7.725 1.00 0.00 C ATOM 803 CG ASP A 53 -4.076 -7.465 8.973 1.00 0.00 C ATOM 804 OD1 ASP A 53 -3.556 -7.433 10.064 1.00 0.00 O ATOM 805 OD2 ASP A 53 -5.264 -7.651 8.811 1.00 0.00 O ATOM 0 H ASP A 53 -1.407 -5.746 9.861 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.100 -6.984 8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.829 -6.895 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.864 -8.277 7.400 1.00 0.00 H new ATOM 810 N GLY A 54 -1.226 -4.334 6.899 1.00 0.00 N ATOM 811 CA GLY A 54 -1.053 -3.383 5.814 1.00 0.00 C ATOM 812 C GLY A 54 -2.383 -2.767 5.431 1.00 0.00 C ATOM 813 O GLY A 54 -2.432 -1.842 4.629 1.00 0.00 O ATOM 0 H GLY A 54 -0.846 -4.028 7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.357 -2.601 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.615 -3.883 4.950 1.00 0.00 H new ATOM 817 N SER A 55 -3.462 -3.296 6.000 1.00 0.00 N ATOM 818 CA SER A 55 -4.805 -2.832 5.699 1.00 0.00 C ATOM 819 C SER A 55 -5.030 -1.442 6.269 1.00 0.00 C ATOM 820 O SER A 55 -5.552 -1.283 7.374 1.00 0.00 O ATOM 821 CB SER A 55 -5.836 -3.817 6.268 1.00 0.00 C ATOM 822 OG SER A 55 -5.200 -5.069 6.533 1.00 0.00 O ATOM 0 H SER A 55 -3.427 -4.056 6.680 1.00 0.00 H new ATOM 0 HA SER A 55 -4.924 -2.780 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.271 -3.417 7.184 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.653 -3.954 5.560 1.00 0.00 H new ATOM 0 HG SER A 55 -4.887 -5.087 7.462 1.00 0.00 H new ATOM 828 N LEU A 56 -4.635 -0.444 5.513 1.00 0.00 N ATOM 829 CA LEU A 56 -4.794 0.932 5.921 1.00 0.00 C ATOM 830 C LEU A 56 -6.272 1.267 6.040 1.00 0.00 C ATOM 831 O LEU A 56 -6.686 2.021 6.924 1.00 0.00 O ATOM 832 CB LEU A 56 -4.123 1.857 4.914 1.00 0.00 C ATOM 833 CG LEU A 56 -2.607 1.632 4.946 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.967 2.407 3.811 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.026 2.111 6.283 1.00 0.00 C ATOM 0 H LEU A 56 -4.196 -0.563 4.600 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.321 1.073 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.509 1.664 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.352 2.896 5.149 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.401 0.568 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.888 2.252 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.369 2.058 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.183 3.469 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.949 1.945 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.231 3.174 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.485 1.554 7.100 1.00 0.00 H new ATOM 847 N GLY A 57 -7.052 0.755 5.103 1.00 0.00 N ATOM 848 CA GLY A 57 -8.478 1.032 5.077 1.00 0.00 C ATOM 849 C GLY A 57 -8.745 2.272 4.263 1.00 0.00 C ATOM 850 O GLY A 57 -8.077 2.501 3.260 1.00 0.00 O ATOM 0 H GLY A 57 -6.723 0.147 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.014 0.184 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.850 1.166 6.093 1.00 0.00 H new ATOM 854 N TYR A 58 -9.723 3.072 4.693 1.00 0.00 N ATOM 855 CA TYR A 58 -10.088 4.289 3.973 1.00 0.00 C ATOM 856 C TYR A 58 -9.171 5.416 4.376 1.00 0.00 C ATOM 857 O TYR A 58 -9.077 5.749 5.563 1.00 0.00 O ATOM 858 CB TYR A 58 -11.492 4.750 4.377 1.00 0.00 C ATOM 859 CG TYR A 58 -12.544 3.739 4.028 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.850 2.712 4.925 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.227 3.841 2.819 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.843 1.785 4.608 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.218 2.920 2.502 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.527 1.889 3.396 1.00 0.00 C ATOM 865 OH TYR A 58 -15.503 0.974 3.080 1.00 0.00 O ATOM 0 H TYR A 58 -10.274 2.898 5.534 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.027 4.065 2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.515 4.940 5.450 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -11.719 5.694 3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.319 2.636 5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -12.987 4.635 2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.082 0.989 5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.750 3.000 1.565 1.00 0.00 H new ATOM 0 HH TYR A 58 -16.039 1.312 2.332 1.00 0.00 H new ATOM 875 N PHE A 59 -8.668 6.126 3.403 1.00 0.00 N ATOM 876 CA PHE A 59 -7.934 7.348 3.669 1.00 0.00 C ATOM 877 C PHE A 59 -8.157 8.365 2.570 1.00 0.00 C ATOM 878 O PHE A 59 -8.362 8.009 1.412 1.00 0.00 O ATOM 879 CB PHE A 59 -6.442 7.064 3.856 1.00 0.00 C ATOM 880 CG PHE A 59 -5.904 6.350 2.642 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.462 7.077 1.533 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.847 4.953 2.631 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.961 6.405 0.415 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.350 4.284 1.517 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.905 5.007 0.406 1.00 0.00 C ATOM 0 H PHE A 59 -8.749 5.885 2.415 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.314 7.769 4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.901 7.998 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.287 6.455 4.746 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.508 8.156 1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.189 4.393 3.488 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.617 6.965 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.308 3.205 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.519 4.487 -0.458 1.00 0.00 H new ATOM 895 N GLY A 60 -8.088 9.624 2.934 1.00 0.00 N ATOM 896 CA GLY A 60 -8.222 10.706 1.979 1.00 0.00 C ATOM 897 C GLY A 60 -6.845 11.248 1.652 1.00 0.00 C ATOM 898 O GLY A 60 -5.847 10.812 2.244 1.00 0.00 O ATOM 0 H GLY A 60 -7.938 9.929 3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.712 10.350 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.850 11.496 2.391 1.00 0.00 H new ATOM 902 N ARG A 61 -6.773 12.228 0.763 1.00 0.00 N ATOM 903 CA ARG A 61 -5.492 12.818 0.440 1.00 0.00 C ATOM 904 C ARG A 61 -5.034 13.731 1.549 1.00 0.00 C ATOM 905 O ARG A 61 -5.859 14.343 2.240 1.00 0.00 O ATOM 906 CB ARG A 61 -5.528 13.619 -0.850 1.00 0.00 C ATOM 907 CG ARG A 61 -5.815 12.725 -2.052 1.00 0.00 C ATOM 908 CD ARG A 61 -5.443 13.492 -3.328 1.00 0.00 C ATOM 909 NE ARG A 61 -5.556 14.946 -3.123 1.00 0.00 N ATOM 910 CZ ARG A 61 -4.493 15.714 -2.805 1.00 0.00 C ATOM 911 NH1 ARG A 61 -3.329 15.163 -2.549 1.00 0.00 N ATOM 912 NH2 ARG A 61 -4.633 17.005 -2.718 1.00 0.00 N ATOM 0 H ARG A 61 -7.571 12.622 0.264 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.798 11.987 0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.293 14.392 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.574 14.127 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.240 11.802 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.868 12.444 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.424 13.241 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.096 13.185 -4.145 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.470 15.388 -3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.225 14.149 -2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.529 15.749 -2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.543 17.432 -2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.832 17.590 -2.478 1.00 0.00 H new ATOM 926 N GLY A 62 -3.741 13.912 1.640 1.00 0.00 N ATOM 927 CA GLY A 62 -3.164 14.832 2.601 1.00 0.00 C ATOM 928 C GLY A 62 -2.568 14.083 3.763 1.00 0.00 C ATOM 929 O GLY A 62 -1.535 14.477 4.302 1.00 0.00 O ATOM 0 H GLY A 62 -3.057 13.431 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.395 15.435 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.930 15.519 2.959 1.00 0.00 H new ATOM 933 N LYS A 63 -3.163 12.955 4.093 1.00 0.00 N ATOM 934 CA LYS A 63 -2.629 12.100 5.140 1.00 0.00 C ATOM 935 C LYS A 63 -1.576 11.166 4.577 1.00 0.00 C ATOM 936 O LYS A 63 -0.887 10.476 5.331 1.00 0.00 O ATOM 937 CB LYS A 63 -3.747 11.298 5.823 1.00 0.00 C ATOM 938 CG LYS A 63 -4.094 11.935 7.183 1.00 0.00 C ATOM 939 CD LYS A 63 -3.504 11.082 8.326 1.00 0.00 C ATOM 940 CE LYS A 63 -1.962 11.074 8.253 1.00 0.00 C ATOM 941 NZ LYS A 63 -1.500 9.844 7.558 1.00 0.00 N ATOM 0 H LYS A 63 -4.015 12.607 3.654 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.164 12.738 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.631 11.275 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.430 10.265 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.697 12.949 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.176 12.010 7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.826 11.480 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.883 10.062 8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.609 11.958 7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.540 11.116 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.626 9.501 8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.234 9.111 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.316 10.059 6.557 1.00 0.00 H new ATOM 955 N MET A 64 -1.491 11.117 3.259 1.00 0.00 N ATOM 956 CA MET A 64 -0.565 10.229 2.571 1.00 0.00 C ATOM 957 C MET A 64 0.306 11.050 1.628 1.00 0.00 C ATOM 958 O MET A 64 -0.085 12.149 1.224 1.00 0.00 O ATOM 959 CB MET A 64 -1.353 9.189 1.760 1.00 0.00 C ATOM 960 CG MET A 64 -2.667 8.829 2.478 1.00 0.00 C ATOM 961 SD MET A 64 -2.312 8.074 4.083 1.00 0.00 S ATOM 962 CE MET A 64 -2.469 6.344 3.569 1.00 0.00 C ATOM 0 H MET A 64 -2.060 11.690 2.635 1.00 0.00 H new ATOM 0 HA MET A 64 0.061 9.717 3.302 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.570 9.582 0.767 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.749 8.292 1.623 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.273 9.725 2.615 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.249 8.141 1.865 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.071 5.801 4.298 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.951 6.297 2.593 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.479 5.892 3.507 1.00 0.00 H new ATOM 972 N VAL A 65 1.478 10.541 1.285 1.00 0.00 N ATOM 973 CA VAL A 65 2.371 11.254 0.371 1.00 0.00 C ATOM 974 C VAL A 65 1.876 11.137 -1.080 1.00 0.00 C ATOM 975 O VAL A 65 1.195 10.166 -1.436 1.00 0.00 O ATOM 976 CB VAL A 65 3.824 10.760 0.516 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.323 11.057 1.932 1.00 0.00 C ATOM 978 CG2 VAL A 65 3.898 9.249 0.269 1.00 0.00 C ATOM 0 H VAL A 65 1.836 9.646 1.619 1.00 0.00 H new ATOM 0 HA VAL A 65 2.359 12.310 0.640 1.00 0.00 H new ATOM 0 HB VAL A 65 4.445 11.275 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.350 10.708 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.284 12.131 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.690 10.543 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.930 8.913 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.272 8.731 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.545 9.027 -0.738 1.00 0.00 H new ATOM 988 N LYS A 66 2.176 12.149 -1.893 1.00 0.00 N ATOM 989 CA LYS A 66 1.684 12.211 -3.272 1.00 0.00 C ATOM 990 C LYS A 66 1.808 10.881 -4.001 1.00 0.00 C ATOM 991 O LYS A 66 0.835 10.425 -4.611 1.00 0.00 O ATOM 992 CB LYS A 66 2.383 13.320 -4.071 1.00 0.00 C ATOM 993 CG LYS A 66 1.540 13.683 -5.309 1.00 0.00 C ATOM 994 CD LYS A 66 2.016 12.874 -6.533 1.00 0.00 C ATOM 995 CE LYS A 66 0.809 12.449 -7.383 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.125 11.630 -6.560 1.00 0.00 N ATOM 0 H LYS A 66 2.759 12.940 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 66 0.622 12.447 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.522 14.200 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.375 12.989 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.487 13.477 -5.115 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.623 14.750 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.700 13.474 -7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.568 11.993 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.294 13.330 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.145 11.876 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.683 11.010 -7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.420 11.050 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.765 12.258 -6.033 1.00 0.00 H new ATOM 1010 N PRO A 67 2.987 10.295 -4.049 1.00 0.00 N ATOM 1011 CA PRO A 67 3.159 9.011 -4.800 1.00 0.00 C ATOM 1012 C PRO A 67 2.298 7.908 -4.204 1.00 0.00 C ATOM 1013 O PRO A 67 1.737 7.078 -4.924 1.00 0.00 O ATOM 1014 CB PRO A 67 4.652 8.686 -4.644 1.00 0.00 C ATOM 1015 CG PRO A 67 5.078 9.411 -3.411 1.00 0.00 C ATOM 1016 CD PRO A 67 4.247 10.690 -3.374 1.00 0.00 C ATOM 0 HA PRO A 67 2.854 9.094 -5.843 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.814 7.613 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.221 9.017 -5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.904 8.806 -2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.144 9.638 -3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.069 11.025 -2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.744 11.508 -3.895 1.00 0.00 H new ATOM 1024 N PHE A 68 2.138 7.952 -2.888 1.00 0.00 N ATOM 1025 CA PHE A 68 1.280 7.004 -2.195 1.00 0.00 C ATOM 1026 C PHE A 68 -0.149 7.169 -2.677 1.00 0.00 C ATOM 1027 O PHE A 68 -0.819 6.200 -3.058 1.00 0.00 O ATOM 1028 CB PHE A 68 1.343 7.225 -0.679 1.00 0.00 C ATOM 1029 CG PHE A 68 0.600 6.113 0.009 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.790 6.169 0.131 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.303 5.011 0.506 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.475 5.129 0.754 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.613 3.971 1.126 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.774 4.030 1.250 1.00 0.00 C ATOM 0 H PHE A 68 2.592 8.634 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 68 1.627 5.994 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.380 7.248 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.903 8.188 -0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.333 7.018 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.378 4.966 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.550 5.173 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.153 3.119 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.307 3.223 1.731 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.591 8.421 -2.713 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.926 8.748 -3.177 1.00 0.00 C ATOM 1046 C GLU A 69 -2.037 8.389 -4.638 1.00 0.00 C ATOM 1047 O GLU A 69 -3.053 7.867 -5.097 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.193 10.253 -3.009 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.271 10.618 -1.521 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.457 12.126 -1.336 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -2.492 12.838 -2.332 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.555 12.556 -0.206 1.00 0.00 O ATOM 0 H GLU A 69 -0.038 9.227 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.656 8.189 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.400 10.826 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.126 10.521 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.100 10.086 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.361 10.295 -1.015 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.974 8.667 -5.363 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.939 8.426 -6.785 1.00 0.00 C ATOM 1061 C ASP A 70 -1.253 6.975 -7.068 1.00 0.00 C ATOM 1062 O ASP A 70 -2.177 6.663 -7.812 1.00 0.00 O ATOM 1063 CB ASP A 70 0.459 8.747 -7.323 1.00 0.00 C ATOM 1064 CG ASP A 70 0.437 8.829 -8.824 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.244 9.686 -9.330 1.00 0.00 O ATOM 1066 OD2 ASP A 70 1.102 8.036 -9.449 1.00 0.00 O ATOM 0 H ASP A 70 -0.115 9.064 -4.983 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.679 9.061 -7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.808 9.692 -6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.163 7.978 -7.005 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.552 6.088 -6.395 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.798 4.667 -6.559 1.00 0.00 C ATOM 1073 C ALA A 71 -2.192 4.294 -6.072 1.00 0.00 C ATOM 1074 O ALA A 71 -2.883 3.488 -6.699 1.00 0.00 O ATOM 1075 CB ALA A 71 0.261 3.845 -5.821 1.00 0.00 C ATOM 0 H ALA A 71 0.188 6.321 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.735 4.438 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.057 2.783 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.247 4.080 -6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.234 4.086 -4.758 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.595 4.866 -4.941 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.891 4.544 -4.357 1.00 0.00 C ATOM 1083 C ALA A 72 -5.029 4.907 -5.300 1.00 0.00 C ATOM 1084 O ALA A 72 -5.890 4.081 -5.597 1.00 0.00 O ATOM 1085 CB ALA A 72 -4.067 5.271 -3.021 1.00 0.00 C ATOM 0 H ALA A 72 -2.048 5.548 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.921 3.468 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.039 5.021 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.280 4.963 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.007 6.347 -3.182 1.00 0.00 H new ATOM 1091 N PHE A 73 -5.009 6.133 -5.788 1.00 0.00 N ATOM 1092 CA PHE A 73 -6.025 6.597 -6.729 1.00 0.00 C ATOM 1093 C PHE A 73 -5.896 5.913 -8.081 1.00 0.00 C ATOM 1094 O PHE A 73 -6.893 5.669 -8.754 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.984 8.126 -6.876 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.636 8.765 -5.664 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -5.882 9.059 -4.522 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -8.004 9.064 -5.687 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -6.488 9.645 -3.410 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -8.612 9.653 -4.575 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.855 9.943 -3.435 1.00 0.00 C ATOM 0 H PHE A 73 -4.302 6.830 -5.552 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.997 6.323 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.953 8.466 -6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.504 8.429 -7.785 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.826 8.831 -4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.590 8.839 -6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.902 9.868 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.667 9.884 -4.596 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.325 10.396 -2.575 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.672 5.695 -8.523 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.434 5.090 -9.827 1.00 0.00 C ATOM 1113 C ARG A 74 -4.905 3.631 -9.898 1.00 0.00 C ATOM 1114 O ARG A 74 -5.393 3.188 -10.942 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.959 5.211 -10.212 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.656 6.681 -10.543 1.00 0.00 C ATOM 1117 CD ARG A 74 -1.155 6.869 -10.748 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.674 6.094 -11.879 1.00 0.00 N ATOM 1119 CZ ARG A 74 0.626 5.999 -12.158 1.00 0.00 C ATOM 1120 NH1 ARG A 74 1.500 6.628 -11.416 1.00 0.00 N ATOM 1121 NH2 ARG A 74 1.020 5.282 -13.170 1.00 0.00 N ATOM 0 H ARG A 74 -3.826 5.926 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.033 5.643 -10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.325 4.869 -9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.739 4.577 -11.071 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.195 6.979 -11.443 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.005 7.324 -9.735 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.938 7.925 -10.909 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.622 6.568 -9.846 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.347 5.611 -12.474 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.187 7.190 -10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.495 6.556 -11.628 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.335 4.795 -13.747 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.014 5.207 -13.386 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.664 2.863 -8.836 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.986 1.425 -8.846 1.00 0.00 C ATOM 1137 C LEU A 75 -6.313 1.103 -8.177 1.00 0.00 C ATOM 1138 O LEU A 75 -6.468 0.036 -7.584 1.00 0.00 O ATOM 1139 CB LEU A 75 -3.865 0.589 -8.247 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.547 0.953 -8.928 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.433 0.107 -8.353 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.644 0.714 -10.437 1.00 0.00 C ATOM 0 H LEU A 75 -4.253 3.201 -7.966 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.089 1.157 -9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.795 0.768 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.076 -0.472 -8.380 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.337 2.008 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.492 0.366 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.352 0.292 -7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.651 -0.947 -8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.697 0.978 -10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.863 -0.337 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.441 1.331 -10.853 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.276 2.002 -8.289 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.587 1.778 -7.679 1.00 0.00 C ATOM 1156 C GLN A 76 -9.143 0.417 -8.075 1.00 0.00 C ATOM 1157 O GLN A 76 -9.935 -0.178 -7.339 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.557 2.885 -8.085 1.00 0.00 C ATOM 1159 CG GLN A 76 -9.126 4.192 -7.421 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.936 5.351 -7.966 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -11.167 5.314 -7.947 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -9.331 6.367 -8.481 1.00 0.00 N ATOM 0 H GLN A 76 -7.183 2.886 -8.789 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.467 1.796 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.566 2.999 -9.169 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.572 2.626 -7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.261 4.121 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.065 4.366 -7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.312 6.399 -8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.872 7.138 -8.872 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.689 -0.091 -9.207 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.108 -1.400 -9.670 1.00 0.00 C ATOM 1173 C VAL A 77 -8.741 -2.492 -8.653 1.00 0.00 C ATOM 1174 O VAL A 77 -9.505 -3.441 -8.462 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.514 -1.700 -11.060 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.987 -1.725 -10.993 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.024 -3.054 -11.567 1.00 0.00 C ATOM 0 H VAL A 77 -8.029 0.385 -9.823 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.194 -1.397 -9.764 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.827 -0.913 -11.746 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.583 -1.938 -11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.622 -0.756 -10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.666 -2.499 -10.296 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.599 -3.258 -12.550 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.725 -3.839 -10.872 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.111 -3.029 -11.640 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.632 -2.297 -7.931 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.226 -3.242 -6.882 1.00 0.00 C ATOM 1189 C GLY A 78 -5.833 -3.778 -7.109 1.00 0.00 C ATOM 1190 O GLY A 78 -5.282 -4.483 -6.256 1.00 0.00 O ATOM 0 H GLY A 78 -7.004 -1.502 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.270 -2.747 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.932 -4.072 -6.849 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.249 -3.416 -8.213 1.00 0.00 N ATOM 1195 CA GLU A 79 -3.918 -3.856 -8.543 1.00 0.00 C ATOM 1196 C GLU A 79 -2.896 -3.400 -7.511 1.00 0.00 C ATOM 1197 O GLU A 79 -3.001 -2.301 -6.957 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.525 -3.357 -9.928 1.00 0.00 C ATOM 1199 CG GLU A 79 -4.251 -4.174 -11.014 1.00 0.00 C ATOM 1200 CD GLU A 79 -3.903 -3.656 -12.404 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -3.052 -2.799 -12.511 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -4.482 -4.139 -13.350 1.00 0.00 O ATOM 0 H GLU A 79 -5.678 -2.809 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.924 -4.946 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.777 -2.301 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.446 -3.441 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.972 -5.225 -10.932 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.328 -4.117 -10.859 1.00 0.00 H new ATOM 1209 N VAL A 80 -1.872 -4.224 -7.307 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.777 -3.877 -6.417 1.00 0.00 C ATOM 1211 C VAL A 80 0.141 -2.922 -7.160 1.00 0.00 C ATOM 1212 O VAL A 80 0.469 -3.159 -8.327 1.00 0.00 O ATOM 1213 CB VAL A 80 0.014 -5.137 -6.010 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.938 -4.821 -4.837 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -0.937 -6.266 -5.612 1.00 0.00 C ATOM 0 H VAL A 80 -1.781 -5.139 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.170 -3.415 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 80 0.607 -5.457 -6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.491 -5.718 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.638 -4.038 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.345 -4.482 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.359 -7.146 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.549 -5.946 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.582 -6.512 -6.455 1.00 0.00 H new ATOM 1225 N SER A 81 0.489 -1.831 -6.529 1.00 0.00 N ATOM 1226 CA SER A 81 1.298 -0.818 -7.172 1.00 0.00 C ATOM 1227 C SER A 81 2.745 -1.237 -7.301 1.00 0.00 C ATOM 1228 O SER A 81 3.284 -1.944 -6.440 1.00 0.00 O ATOM 1229 CB SER A 81 1.204 0.490 -6.385 1.00 0.00 C ATOM 1230 OG SER A 81 1.370 0.207 -5.002 1.00 0.00 O ATOM 0 H SER A 81 0.226 -1.617 -5.567 1.00 0.00 H new ATOM 0 HA SER A 81 0.909 -0.677 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.970 1.189 -6.722 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.239 0.967 -6.559 1.00 0.00 H new ATOM 0 HG SER A 81 1.934 0.896 -4.593 1.00 0.00 H new ATOM 1236 N GLU A 82 3.400 -0.677 -8.304 1.00 0.00 N ATOM 1237 CA GLU A 82 4.826 -0.820 -8.465 1.00 0.00 C ATOM 1238 C GLU A 82 5.472 -0.256 -7.227 1.00 0.00 C ATOM 1239 O GLU A 82 4.834 0.504 -6.493 1.00 0.00 O ATOM 1240 CB GLU A 82 5.316 -0.022 -9.692 1.00 0.00 C ATOM 1241 CG GLU A 82 4.366 -0.230 -10.874 1.00 0.00 C ATOM 1242 CD GLU A 82 3.166 0.688 -10.749 1.00 0.00 C ATOM 1243 OE1 GLU A 82 3.275 1.827 -11.139 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.157 0.243 -10.249 1.00 0.00 O ATOM 0 H GLU A 82 2.953 -0.112 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 82 5.083 -1.869 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.374 1.038 -9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.322 -0.342 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.889 -0.032 -11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.037 -1.269 -10.907 1.00 0.00 H new ATOM 1251 N PRO A 83 6.712 -0.535 -6.996 1.00 0.00 N ATOM 1252 CA PRO A 83 7.379 0.013 -5.787 1.00 0.00 C ATOM 1253 C PRO A 83 7.212 1.530 -5.745 1.00 0.00 C ATOM 1254 O PRO A 83 7.506 2.226 -6.725 1.00 0.00 O ATOM 1255 CB PRO A 83 8.854 -0.359 -5.991 1.00 0.00 C ATOM 1256 CG PRO A 83 8.832 -1.524 -6.924 1.00 0.00 C ATOM 1257 CD PRO A 83 7.640 -1.295 -7.848 1.00 0.00 C ATOM 0 HA PRO A 83 6.970 -0.375 -4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.417 0.474 -6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.330 -0.619 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.760 -1.588 -7.492 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.728 -2.461 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.921 -0.736 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.203 -2.235 -8.185 1.00 0.00 H new ATOM 1265 N VAL A 84 6.753 2.027 -4.614 1.00 0.00 N ATOM 1266 CA VAL A 84 6.513 3.443 -4.422 1.00 0.00 C ATOM 1267 C VAL A 84 7.622 4.024 -3.569 1.00 0.00 C ATOM 1268 O VAL A 84 7.755 3.674 -2.399 1.00 0.00 O ATOM 1269 CB VAL A 84 5.156 3.634 -3.717 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.855 5.123 -3.499 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.040 2.999 -4.557 1.00 0.00 C ATOM 0 H VAL A 84 6.535 1.456 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 84 6.494 3.953 -5.385 1.00 0.00 H new ATOM 0 HB VAL A 84 5.204 3.146 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.892 5.230 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.636 5.565 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.823 5.633 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.083 3.137 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.007 3.475 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.237 1.934 -4.677 1.00 0.00 H new ATOM 1281 N LYS A 85 8.418 4.899 -4.151 1.00 0.00 N ATOM 1282 CA LYS A 85 9.515 5.509 -3.425 1.00 0.00 C ATOM 1283 C LYS A 85 9.007 6.671 -2.590 1.00 0.00 C ATOM 1284 O LYS A 85 8.147 7.446 -3.042 1.00 0.00 O ATOM 1285 CB LYS A 85 10.594 6.000 -4.391 1.00 0.00 C ATOM 1286 CG LYS A 85 11.819 6.479 -3.595 1.00 0.00 C ATOM 1287 CD LYS A 85 12.912 6.934 -4.565 1.00 0.00 C ATOM 1288 CE LYS A 85 14.142 7.400 -3.779 1.00 0.00 C ATOM 1289 NZ LYS A 85 14.992 6.226 -3.442 1.00 0.00 N ATOM 0 H LYS A 85 8.327 5.203 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 85 9.950 4.757 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.880 5.197 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.205 6.813 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.539 7.300 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.192 5.674 -2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.184 6.115 -5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.541 7.745 -5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.713 8.118 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.832 7.911 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.124 6.177 -2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.529 5.356 -3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.918 6.324 -3.905 1.00 0.00 H new ATOM 1303 N SER A 86 9.506 6.769 -1.380 1.00 0.00 N ATOM 1304 CA SER A 86 9.126 7.810 -0.469 1.00 0.00 C ATOM 1305 C SER A 86 10.286 8.106 0.456 1.00 0.00 C ATOM 1306 O SER A 86 11.193 7.279 0.614 1.00 0.00 O ATOM 1307 CB SER A 86 7.937 7.336 0.367 1.00 0.00 C ATOM 1308 OG SER A 86 8.425 6.512 1.421 1.00 0.00 O ATOM 0 H SER A 86 10.194 6.118 -1.001 1.00 0.00 H new ATOM 0 HA SER A 86 8.855 8.706 -1.027 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.396 8.190 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.235 6.780 -0.254 1.00 0.00 H new ATOM 0 HG SER A 86 8.597 5.610 1.078 1.00 0.00 H new ATOM 1314 N GLU A 87 10.196 9.214 1.161 1.00 0.00 N ATOM 1315 CA GLU A 87 11.166 9.525 2.194 1.00 0.00 C ATOM 1316 C GLU A 87 11.126 8.426 3.248 1.00 0.00 C ATOM 1317 O GLU A 87 12.154 8.058 3.839 1.00 0.00 O ATOM 1318 CB GLU A 87 10.842 10.883 2.834 1.00 0.00 C ATOM 1319 CG GLU A 87 9.374 10.911 3.303 1.00 0.00 C ATOM 1320 CD GLU A 87 9.021 12.282 3.820 1.00 0.00 C ATOM 1321 OE1 GLU A 87 9.133 13.227 3.060 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.633 12.379 4.957 1.00 0.00 O ATOM 0 H GLU A 87 9.464 9.914 1.040 1.00 0.00 H new ATOM 0 HA GLU A 87 12.163 9.582 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.506 11.063 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.018 11.684 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.715 10.645 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.220 10.168 4.086 1.00 0.00 H new ATOM 1329 N PHE A 88 9.934 7.868 3.438 1.00 0.00 N ATOM 1330 CA PHE A 88 9.725 6.762 4.356 1.00 0.00 C ATOM 1331 C PHE A 88 10.483 5.536 3.885 1.00 0.00 C ATOM 1332 O PHE A 88 11.027 4.776 4.694 1.00 0.00 O ATOM 1333 CB PHE A 88 8.230 6.421 4.446 1.00 0.00 C ATOM 1334 CG PHE A 88 7.499 7.472 5.247 1.00 0.00 C ATOM 1335 CD1 PHE A 88 7.547 7.446 6.647 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.767 8.469 4.591 1.00 0.00 C ATOM 1337 CE1 PHE A 88 6.864 8.418 7.386 1.00 0.00 C ATOM 1338 CE2 PHE A 88 6.086 9.439 5.334 1.00 0.00 C ATOM 1339 CZ PHE A 88 6.134 9.414 6.731 1.00 0.00 C ATOM 0 H PHE A 88 9.087 8.173 2.958 1.00 0.00 H new ATOM 0 HA PHE A 88 10.091 7.061 5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.804 6.356 3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.100 5.444 4.912 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.110 6.677 7.155 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.728 8.489 3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.901 8.399 8.465 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.522 10.208 4.828 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.608 10.163 7.303 1.00 0.00 H new ATOM 1349 N GLY A 89 10.464 5.311 2.586 1.00 0.00 N ATOM 1350 CA GLY A 89 11.097 4.144 1.998 1.00 0.00 C ATOM 1351 C GLY A 89 10.344 3.721 0.757 1.00 0.00 C ATOM 1352 O GLY A 89 9.711 4.550 0.097 1.00 0.00 O ATOM 0 H GLY A 89 10.012 5.927 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.133 4.370 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.115 3.327 2.719 1.00 0.00 H new ATOM 1356 N TYR A 90 10.362 2.433 0.464 1.00 0.00 N ATOM 1357 CA TYR A 90 9.640 1.919 -0.687 1.00 0.00 C ATOM 1358 C TYR A 90 8.377 1.213 -0.244 1.00 0.00 C ATOM 1359 O TYR A 90 8.423 0.320 0.596 1.00 0.00 O ATOM 1360 CB TYR A 90 10.534 0.961 -1.481 1.00 0.00 C ATOM 1361 CG TYR A 90 11.610 1.759 -2.167 1.00 0.00 C ATOM 1362 CD1 TYR A 90 11.346 2.379 -3.393 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.869 1.897 -1.571 1.00 0.00 C ATOM 1364 CE1 TYR A 90 12.335 3.129 -4.021 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.857 2.653 -2.203 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.586 3.268 -3.428 1.00 0.00 C ATOM 1367 OH TYR A 90 14.552 4.023 -4.047 1.00 0.00 O ATOM 0 H TYR A 90 10.865 1.728 1.003 1.00 0.00 H new ATOM 0 HA TYR A 90 9.362 2.755 -1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.979 0.221 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.943 0.414 -2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.374 2.275 -3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.075 1.420 -0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 90 12.132 3.604 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.829 2.763 -1.746 1.00 0.00 H new ATOM 0 HH TYR A 90 15.422 3.581 -3.955 1.00 0.00 H new ATOM 1377 N HIS A 91 7.252 1.604 -0.824 1.00 0.00 N ATOM 1378 CA HIS A 91 5.976 1.001 -0.478 1.00 0.00 C ATOM 1379 C HIS A 91 5.434 0.185 -1.616 1.00 0.00 C ATOM 1380 O HIS A 91 5.563 0.564 -2.779 1.00 0.00 O ATOM 1381 CB HIS A 91 4.919 2.059 -0.109 1.00 0.00 C ATOM 1382 CG HIS A 91 5.477 3.089 0.821 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.943 3.301 2.077 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.493 3.995 0.687 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.638 4.299 2.647 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.591 4.756 1.841 1.00 0.00 N ATOM 0 H HIS A 91 7.198 2.334 -1.534 1.00 0.00 H new ATOM 0 HA HIS A 91 6.169 0.364 0.385 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.556 2.544 -1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.062 1.572 0.357 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.122 4.101 -0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.446 4.683 3.638 1.00 0.00 H new ATOM 0 HE2 HIS A 91 7.254 5.507 2.031 1.00 0.00 H new ATOM 1394 N VAL A 92 4.674 -0.819 -1.266 1.00 0.00 N ATOM 1395 CA VAL A 92 3.886 -1.562 -2.212 1.00 0.00 C ATOM 1396 C VAL A 92 2.438 -1.339 -1.816 1.00 0.00 C ATOM 1397 O VAL A 92 2.054 -1.652 -0.683 1.00 0.00 O ATOM 1398 CB VAL A 92 4.236 -3.056 -2.117 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.930 -3.756 -3.444 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.721 -3.221 -1.774 1.00 0.00 C ATOM 0 H VAL A 92 4.584 -1.147 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 92 4.072 -1.240 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 92 3.632 -3.510 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.182 -4.813 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.870 -3.652 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.520 -3.301 -4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.963 -4.282 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.328 -2.758 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.929 -2.741 -0.818 1.00 0.00 H new ATOM 1410 N ILE A 93 1.685 -0.672 -2.660 1.00 0.00 N ATOM 1411 CA ILE A 93 0.341 -0.279 -2.295 1.00 0.00 C ATOM 1412 C ILE A 93 -0.666 -1.049 -3.108 1.00 0.00 C ATOM 1413 O ILE A 93 -0.690 -0.938 -4.337 1.00 0.00 O ATOM 1414 CB ILE A 93 0.162 1.229 -2.538 1.00 0.00 C ATOM 1415 CG1 ILE A 93 1.200 2.001 -1.728 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.236 1.677 -2.100 1.00 0.00 C ATOM 1417 CD1 ILE A 93 1.187 3.459 -2.163 1.00 0.00 C ATOM 0 H ILE A 93 1.976 -0.391 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 93 0.181 -0.499 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 93 0.289 1.428 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.979 1.924 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.190 1.572 -1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.348 2.747 -2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.988 1.133 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.368 1.470 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.926 4.017 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.428 3.524 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.198 3.882 -1.989 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.564 -1.729 -2.433 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.669 -2.380 -3.097 1.00 0.00 C ATOM 1431 C LYS A 94 -3.973 -1.750 -2.691 1.00 0.00 C ATOM 1432 O LYS A 94 -4.208 -1.501 -1.508 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.700 -3.898 -2.843 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.061 -4.433 -3.317 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.098 -5.954 -3.295 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.554 -6.426 -3.491 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.291 -5.489 -4.385 1.00 0.00 N ATOM 0 H LYS A 94 -1.550 -1.846 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.523 -2.241 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.889 -4.391 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.556 -4.110 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.851 -4.039 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.262 -4.077 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.463 -6.357 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.706 -6.326 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.563 -7.429 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.056 -6.487 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.209 -5.905 -4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.446 -4.587 -3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.733 -5.320 -5.246 1.00 0.00 H new ATOM 1451 N ARG A 95 -4.858 -1.575 -3.653 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.170 -1.067 -3.343 1.00 0.00 C ATOM 1453 C ARG A 95 -7.020 -2.182 -2.783 1.00 0.00 C ATOM 1454 O ARG A 95 -6.886 -3.352 -3.189 1.00 0.00 O ATOM 1455 CB ARG A 95 -6.843 -0.417 -4.557 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.555 0.875 -4.110 1.00 0.00 C ATOM 1457 CD ARG A 95 -8.995 0.559 -3.688 1.00 0.00 C ATOM 1458 NE ARG A 95 -9.778 0.089 -4.819 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.046 -0.288 -4.682 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.596 -0.317 -3.499 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -11.718 -0.645 -5.724 1.00 0.00 N ATOM 0 H ARG A 95 -4.692 -1.775 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.062 -0.282 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.100 -0.191 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.560 -1.106 -5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.015 1.329 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.556 1.600 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.990 -0.199 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.458 1.451 -3.266 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.344 0.047 -5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.053 -0.050 -2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.569 -0.606 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.276 -0.637 -6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.691 -0.936 -5.628 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.819 -1.837 -1.807 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.635 -2.766 -1.104 1.00 0.00 C ATOM 1477 C LEU A 96 -10.076 -2.533 -1.474 1.00 0.00 C ATOM 1478 O LEU A 96 -10.578 -1.403 -1.399 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.404 -2.570 0.404 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.356 -3.428 1.237 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.166 -4.907 0.893 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.029 -3.209 2.719 1.00 0.00 C ATOM 0 H LEU A 96 -7.916 -0.876 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.379 -3.792 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.373 -2.825 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.542 -1.520 0.660 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.388 -3.146 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.849 -5.510 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.375 -5.064 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.139 -5.201 1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.698 -3.813 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.997 -3.502 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.160 -2.156 2.969 1.00 0.00 H new ATOM 1494 N GLY A 97 -10.710 -3.570 -1.948 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.070 -3.487 -2.395 1.00 0.00 C ATOM 1496 C GLY A 97 -12.340 -4.540 -3.454 1.00 0.00 C ATOM 1497 O GLY A 97 -12.111 -4.265 -4.604 1.00 0.00 O ATOM 1498 OXT GLY A 97 -12.756 -5.609 -3.097 1.00 0.00 O ATOM 0 H GLY A 97 -10.296 -4.498 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.747 -3.627 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.267 -2.495 -2.800 1.00 0.00 H new