USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 569 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 33 THR OG1 : rot 46:sc= 1.46 USER MOD Set 1.2: A 59 TYR OH : rot -153:sc= 0.941 USER MOD Set 2.1: A 9 CYS SG : rot -116:sc= -1.21 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.108 K(o=-1.1,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -145:sc= 0 (180deg=-0.01) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= 0.206 (180deg=-0.0799) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 152:sc= -0.0707 (180deg=-0.764) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.063) USER MOD Single : A 82 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.094) USER MOD Single : A 83 GLN : amide:sc= 0.0593 X(o=0.059,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 0.117 6.814 5.868 1.00 0.00 N ATOM 81 CA CYS A 9 -0.783 6.387 4.803 1.00 0.00 C ATOM 82 C CYS A 9 -0.162 5.257 3.987 1.00 0.00 C ATOM 83 O CYS A 9 0.878 5.436 3.353 1.00 0.00 O ATOM 84 CB CYS A 9 -1.122 7.565 3.890 1.00 0.00 C ATOM 85 SG CYS A 9 -2.128 8.845 4.678 1.00 0.00 S ATOM 0 HA CYS A 9 -1.700 6.018 5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.194 8.014 3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.651 7.191 3.013 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.277 8.925 4.076 1.00 0.00 H new ATOM 91 N ARG A 10 -0.806 4.095 4.010 1.00 0.00 N ATOM 92 CA ARG A 10 -0.315 2.935 3.275 1.00 0.00 C ATOM 93 C ARG A 10 -1.471 2.153 2.659 1.00 0.00 C ATOM 94 O ARG A 10 -2.539 2.026 3.260 1.00 0.00 O ATOM 95 CB ARG A 10 0.495 2.024 4.199 1.00 0.00 C ATOM 96 CG ARG A 10 1.944 2.454 4.360 1.00 0.00 C ATOM 97 CD ARG A 10 2.687 1.553 5.334 1.00 0.00 C ATOM 98 NE ARG A 10 2.384 1.881 6.724 1.00 0.00 N ATOM 99 CZ ARG A 10 3.189 1.589 7.740 1.00 0.00 C ATOM 100 NH1 ARG A 10 4.339 0.968 7.522 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.843 1.921 8.978 1.00 0.00 N ATOM 0 H ARG A 10 -1.669 3.931 4.529 1.00 0.00 H new ATOM 0 HA ARG A 10 0.329 3.292 2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.020 2.001 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.468 1.007 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.441 2.432 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.982 3.484 4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.421 0.514 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.760 1.644 5.166 1.00 0.00 H new ATOM 0 HE ARG A 10 1.507 2.360 6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.609 0.713 6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.955 0.745 8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.959 2.400 9.149 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.461 1.697 9.758 1.00 0.00 H new ATOM 115 N LEU A 11 -1.252 1.633 1.456 1.00 0.00 N ATOM 116 CA LEU A 11 -2.276 0.864 0.757 1.00 0.00 C ATOM 117 C LEU A 11 -2.027 -0.634 0.906 1.00 0.00 C ATOM 118 O LEU A 11 -0.892 -1.099 0.803 1.00 0.00 O ATOM 119 CB LEU A 11 -2.304 1.243 -0.724 1.00 0.00 C ATOM 120 CG LEU A 11 -2.844 2.636 -1.050 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.923 2.839 -2.555 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.209 2.842 -0.410 1.00 0.00 C ATOM 0 H LEU A 11 -0.375 1.730 0.945 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.242 1.100 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.290 1.167 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.908 0.507 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.157 3.376 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.309 3.836 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.928 2.735 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.588 2.092 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.578 3.839 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.906 2.095 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.123 2.740 0.672 1.00 0.00 H new ATOM 134 N PHE A 12 -3.097 -1.385 1.146 1.00 0.00 N ATOM 135 CA PHE A 12 -2.996 -2.831 1.307 1.00 0.00 C ATOM 136 C PHE A 12 -3.027 -3.532 -0.047 1.00 0.00 C ATOM 137 O PHE A 12 -4.090 -3.701 -0.646 1.00 0.00 O ATOM 138 CB PHE A 12 -4.135 -3.348 2.189 1.00 0.00 C ATOM 139 CG PHE A 12 -4.070 -4.826 2.445 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.506 -5.729 1.489 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.572 -5.314 3.643 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.448 -7.090 1.723 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.511 -6.674 3.883 1.00 0.00 C ATOM 144 CZ PHE A 12 -3.949 -7.563 2.921 1.00 0.00 C ATOM 0 H PHE A 12 -4.044 -1.016 1.233 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.044 -3.053 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.114 -2.821 3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.087 -3.111 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.896 -5.365 0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.227 -4.623 4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.793 -7.783 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.121 -7.041 4.821 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.901 -8.626 3.105 1.00 0.00 H new ATOM 154 N ILE A 13 -1.855 -3.939 -0.523 1.00 0.00 N ATOM 155 CA ILE A 13 -1.748 -4.622 -1.806 1.00 0.00 C ATOM 156 C ILE A 13 -1.609 -6.129 -1.616 1.00 0.00 C ATOM 157 O ILE A 13 -0.568 -6.616 -1.178 1.00 0.00 O ATOM 158 CB ILE A 13 -0.547 -4.106 -2.621 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.513 -2.576 -2.607 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.612 -4.627 -4.049 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.745 -1.939 -3.211 1.00 0.00 C ATOM 0 H ILE A 13 -0.967 -3.808 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.666 -4.410 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 13 0.370 -4.475 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.403 -2.232 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.367 -2.235 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.243 -4.254 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.593 -5.717 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.534 -4.284 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.652 -0.854 -3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.845 -2.253 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.627 -2.250 -2.651 1.00 0.00 H new ATOM 173 N GLY A 14 -2.666 -6.862 -1.951 1.00 0.00 N ATOM 174 CA GLY A 14 -2.641 -8.307 -1.812 1.00 0.00 C ATOM 175 C GLY A 14 -2.756 -9.019 -3.145 1.00 0.00 C ATOM 176 O GLY A 14 -3.367 -8.506 -4.081 1.00 0.00 O ATOM 0 H GLY A 14 -3.539 -6.482 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.714 -8.606 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.459 -8.621 -1.164 1.00 0.00 H new ATOM 180 N GLY A 15 -2.165 -10.207 -3.232 1.00 0.00 N ATOM 181 CA GLY A 15 -2.214 -10.972 -4.465 1.00 0.00 C ATOM 182 C GLY A 15 -1.012 -10.716 -5.353 1.00 0.00 C ATOM 183 O GLY A 15 -1.161 -10.401 -6.534 1.00 0.00 O ATOM 0 H GLY A 15 -1.653 -10.653 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.267 -12.035 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.124 -10.721 -5.009 1.00 0.00 H new ATOM 187 N ILE A 16 0.181 -10.852 -4.785 1.00 0.00 N ATOM 188 CA ILE A 16 1.412 -10.633 -5.534 1.00 0.00 C ATOM 189 C ILE A 16 2.353 -11.827 -5.406 1.00 0.00 C ATOM 190 O ILE A 16 2.345 -12.551 -4.411 1.00 0.00 O ATOM 191 CB ILE A 16 2.144 -9.364 -5.056 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.588 -9.523 -3.600 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.247 -8.145 -5.212 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.575 -8.468 -3.151 1.00 0.00 C ATOM 0 H ILE A 16 0.321 -11.113 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 16 1.128 -10.507 -6.579 1.00 0.00 H new ATOM 0 HB ILE A 16 3.031 -9.219 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.710 -9.486 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.037 -10.508 -3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.778 -7.256 -4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.976 -8.025 -6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.344 -8.279 -4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.846 -8.643 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.469 -8.519 -3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.122 -7.481 -3.248 1.00 0.00 H new ATOM 206 N PRO A 17 3.184 -12.037 -6.437 1.00 0.00 N ATOM 207 CA PRO A 17 4.149 -13.141 -6.464 1.00 0.00 C ATOM 208 C PRO A 17 5.282 -12.945 -5.462 1.00 0.00 C ATOM 209 O PRO A 17 5.913 -11.889 -5.422 1.00 0.00 O ATOM 210 CB PRO A 17 4.688 -13.106 -7.896 1.00 0.00 C ATOM 211 CG PRO A 17 4.498 -11.696 -8.338 1.00 0.00 C ATOM 212 CD PRO A 17 3.248 -11.213 -7.656 1.00 0.00 C ATOM 0 HA PRO A 17 3.690 -14.091 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.739 -13.394 -7.931 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.147 -13.799 -8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.355 -11.082 -8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.399 -11.637 -9.422 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.304 -10.150 -7.420 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.368 -11.354 -8.283 1.00 0.00 H new ATOM 220 N LYS A 18 5.536 -13.970 -4.655 1.00 0.00 N ATOM 221 CA LYS A 18 6.595 -13.912 -3.655 1.00 0.00 C ATOM 222 C LYS A 18 7.943 -13.623 -4.305 1.00 0.00 C ATOM 223 O LYS A 18 8.706 -12.783 -3.828 1.00 0.00 O ATOM 224 CB LYS A 18 6.663 -15.228 -2.878 1.00 0.00 C ATOM 225 CG LYS A 18 5.345 -15.624 -2.234 1.00 0.00 C ATOM 226 CD LYS A 18 5.209 -17.133 -2.125 1.00 0.00 C ATOM 227 CE LYS A 18 4.007 -17.525 -1.278 1.00 0.00 C ATOM 228 NZ LYS A 18 3.474 -18.863 -1.656 1.00 0.00 N ATOM 0 H LYS A 18 5.022 -14.851 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 18 6.364 -13.101 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.981 -16.023 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.425 -15.144 -2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.276 -15.179 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.518 -15.225 -2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.109 -17.563 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.116 -17.550 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.291 -17.531 -0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.223 -16.776 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.656 -19.093 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.179 -18.850 -2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.214 -19.582 -1.523 1.00 0.00 H new ATOM 242 N MET A 19 8.230 -14.323 -5.398 1.00 0.00 N ATOM 243 CA MET A 19 9.487 -14.139 -6.115 1.00 0.00 C ATOM 244 C MET A 19 9.784 -12.657 -6.319 1.00 0.00 C ATOM 245 O MET A 19 10.940 -12.259 -6.464 1.00 0.00 O ATOM 246 CB MET A 19 9.436 -14.852 -7.468 1.00 0.00 C ATOM 247 CG MET A 19 8.177 -14.552 -8.266 1.00 0.00 C ATOM 248 SD MET A 19 7.872 -15.766 -9.564 1.00 0.00 S ATOM 249 CE MET A 19 7.143 -17.099 -8.616 1.00 0.00 C ATOM 0 H MET A 19 7.610 -15.022 -5.806 1.00 0.00 H new ATOM 0 HA MET A 19 10.286 -14.572 -5.514 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.307 -14.561 -8.056 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.506 -15.928 -7.306 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.322 -14.525 -7.591 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.262 -13.561 -8.713 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.451 -18.056 -9.037 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.477 -17.034 -7.580 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.057 -17.020 -8.653 1.00 0.00 H new ATOM 259 N LYS A 20 8.733 -11.844 -6.331 1.00 0.00 N ATOM 260 CA LYS A 20 8.881 -10.405 -6.516 1.00 0.00 C ATOM 261 C LYS A 20 9.189 -9.714 -5.191 1.00 0.00 C ATOM 262 O LYS A 20 8.378 -9.735 -4.265 1.00 0.00 O ATOM 263 CB LYS A 20 7.608 -9.815 -7.127 1.00 0.00 C ATOM 264 CG LYS A 20 7.601 -9.825 -8.646 1.00 0.00 C ATOM 265 CD LYS A 20 7.726 -11.236 -9.195 1.00 0.00 C ATOM 266 CE LYS A 20 7.152 -11.340 -10.600 1.00 0.00 C ATOM 267 NZ LYS A 20 7.838 -12.390 -11.403 1.00 0.00 N ATOM 0 H LYS A 20 7.769 -12.157 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 20 9.716 -10.236 -7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.747 -10.377 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.489 -8.789 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.678 -9.373 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.424 -9.214 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.775 -11.531 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.206 -11.931 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.087 -11.565 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.247 -10.378 -11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.418 -12.430 -12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.850 -12.162 -11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.726 -13.313 -10.936 1.00 0.00 H new ATOM 281 N LYS A 21 10.364 -9.101 -5.108 1.00 0.00 N ATOM 282 CA LYS A 21 10.779 -8.401 -3.898 1.00 0.00 C ATOM 283 C LYS A 21 10.199 -6.991 -3.860 1.00 0.00 C ATOM 284 O LYS A 21 9.583 -6.537 -4.824 1.00 0.00 O ATOM 285 CB LYS A 21 12.306 -8.339 -3.818 1.00 0.00 C ATOM 286 CG LYS A 21 12.921 -9.480 -3.027 1.00 0.00 C ATOM 287 CD LYS A 21 12.950 -10.767 -3.836 1.00 0.00 C ATOM 288 CE LYS A 21 11.625 -11.508 -3.752 1.00 0.00 C ATOM 289 NZ LYS A 21 11.806 -12.982 -3.857 1.00 0.00 N ATOM 0 H LYS A 21 11.047 -9.074 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 21 10.399 -8.954 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.715 -8.347 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.599 -7.393 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.935 -9.213 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.352 -9.638 -2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.175 -10.538 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.751 -11.410 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.134 -11.269 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.966 -11.165 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.010 -13.463 -3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.839 -13.257 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.696 -13.256 -3.393 1.00 0.00 H new ATOM 303 N ARG A 22 10.402 -6.303 -2.741 1.00 0.00 N ATOM 304 CA ARG A 22 9.899 -4.944 -2.578 1.00 0.00 C ATOM 305 C ARG A 22 10.440 -4.029 -3.673 1.00 0.00 C ATOM 306 O ARG A 22 9.722 -3.175 -4.191 1.00 0.00 O ATOM 307 CB ARG A 22 10.286 -4.396 -1.203 1.00 0.00 C ATOM 308 CG ARG A 22 11.784 -4.397 -0.946 1.00 0.00 C ATOM 309 CD ARG A 22 12.094 -4.436 0.542 1.00 0.00 C ATOM 310 NE ARG A 22 13.461 -4.009 0.827 1.00 0.00 N ATOM 311 CZ ARG A 22 13.894 -2.765 0.651 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.072 -1.832 0.193 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.153 -2.453 0.934 1.00 0.00 N ATOM 0 H ARG A 22 10.911 -6.664 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 22 8.812 -4.973 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.911 -3.377 -1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.794 -4.990 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.238 -5.259 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.231 -3.507 -1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.394 -3.792 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.945 -5.448 0.917 1.00 0.00 H new ATOM 0 HE ARG A 22 14.119 -4.703 1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.104 -2.068 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.407 -0.878 0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.789 -3.168 1.287 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.485 -1.498 0.799 1.00 0.00 H new ATOM 327 N GLU A 23 11.710 -4.215 -4.018 1.00 0.00 N ATOM 328 CA GLU A 23 12.347 -3.405 -5.050 1.00 0.00 C ATOM 329 C GLU A 23 11.534 -3.431 -6.341 1.00 0.00 C ATOM 330 O GLU A 23 11.386 -2.412 -7.014 1.00 0.00 O ATOM 331 CB GLU A 23 13.767 -3.907 -5.319 1.00 0.00 C ATOM 332 CG GLU A 23 13.833 -5.379 -5.691 1.00 0.00 C ATOM 333 CD GLU A 23 15.251 -5.855 -5.939 1.00 0.00 C ATOM 334 OE1 GLU A 23 15.920 -6.262 -4.966 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.692 -5.820 -7.107 1.00 0.00 O ATOM 0 H GLU A 23 12.318 -4.919 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 23 12.394 -2.377 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.205 -3.318 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.377 -3.738 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.389 -5.972 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.234 -5.551 -6.585 1.00 0.00 H new ATOM 342 N GLU A 24 11.009 -4.605 -6.680 1.00 0.00 N ATOM 343 CA GLU A 24 10.212 -4.764 -7.890 1.00 0.00 C ATOM 344 C GLU A 24 8.804 -4.211 -7.691 1.00 0.00 C ATOM 345 O GLU A 24 8.290 -3.476 -8.535 1.00 0.00 O ATOM 346 CB GLU A 24 10.140 -6.239 -8.290 1.00 0.00 C ATOM 347 CG GLU A 24 11.402 -6.749 -8.966 1.00 0.00 C ATOM 348 CD GLU A 24 11.487 -6.343 -10.425 1.00 0.00 C ATOM 349 OE1 GLU A 24 11.330 -5.139 -10.716 1.00 0.00 O ATOM 350 OE2 GLU A 24 11.710 -7.230 -11.275 1.00 0.00 O ATOM 0 H GLU A 24 11.122 -5.459 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 24 10.695 -4.201 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.947 -6.839 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.294 -6.384 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.274 -6.367 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.435 -7.836 -8.893 1.00 0.00 H new ATOM 357 N ILE A 25 8.186 -4.570 -6.571 1.00 0.00 N ATOM 358 CA ILE A 25 6.839 -4.109 -6.261 1.00 0.00 C ATOM 359 C ILE A 25 6.750 -2.588 -6.323 1.00 0.00 C ATOM 360 O ILE A 25 5.940 -2.033 -7.067 1.00 0.00 O ATOM 361 CB ILE A 25 6.389 -4.582 -4.865 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.500 -6.104 -4.759 1.00 0.00 C ATOM 363 CG2 ILE A 25 4.964 -4.128 -4.586 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.611 -6.603 -3.335 1.00 0.00 C ATOM 0 H ILE A 25 8.597 -5.179 -5.863 1.00 0.00 H new ATOM 0 HA ILE A 25 6.178 -4.540 -7.013 1.00 0.00 H new ATOM 0 HB ILE A 25 7.044 -4.136 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.627 -6.558 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.372 -6.437 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.660 -4.470 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.915 -3.040 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.295 -4.549 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.686 -7.690 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.500 -6.178 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.727 -6.301 -2.774 1.00 0.00 H new ATOM 376 N LEU A 26 7.587 -1.920 -5.538 1.00 0.00 N ATOM 377 CA LEU A 26 7.605 -0.461 -5.505 1.00 0.00 C ATOM 378 C LEU A 26 7.540 0.117 -6.915 1.00 0.00 C ATOM 379 O LEU A 26 6.560 0.762 -7.286 1.00 0.00 O ATOM 380 CB LEU A 26 8.866 0.037 -4.796 1.00 0.00 C ATOM 381 CG LEU A 26 9.235 1.502 -5.033 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.555 2.396 -4.007 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.745 1.685 -4.986 1.00 0.00 C ATOM 0 H LEU A 26 8.262 -2.364 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 26 6.727 -0.124 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.741 -0.116 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.705 -0.584 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 26 8.885 1.790 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.829 3.435 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.474 2.286 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.874 2.109 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.990 2.733 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.118 1.380 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.210 1.073 -5.759 1.00 0.00 H new ATOM 395 N GLU A 27 8.588 -0.123 -7.696 1.00 0.00 N ATOM 396 CA GLU A 27 8.648 0.373 -9.066 1.00 0.00 C ATOM 397 C GLU A 27 7.377 0.014 -9.831 1.00 0.00 C ATOM 398 O GLU A 27 6.793 0.855 -10.513 1.00 0.00 O ATOM 399 CB GLU A 27 9.870 -0.200 -9.787 1.00 0.00 C ATOM 400 CG GLU A 27 10.414 0.706 -10.879 1.00 0.00 C ATOM 401 CD GLU A 27 11.151 1.909 -10.325 1.00 0.00 C ATOM 402 OE1 GLU A 27 12.315 1.750 -9.902 1.00 0.00 O ATOM 403 OE2 GLU A 27 10.562 3.011 -10.314 1.00 0.00 O ATOM 0 H GLU A 27 9.406 -0.657 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 27 8.734 1.459 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.657 -0.387 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.605 -1.163 -10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.087 0.135 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.591 1.046 -11.507 1.00 0.00 H new ATOM 410 N GLU A 28 6.957 -1.242 -9.712 1.00 0.00 N ATOM 411 CA GLU A 28 5.757 -1.713 -10.393 1.00 0.00 C ATOM 412 C GLU A 28 4.525 -0.949 -9.915 1.00 0.00 C ATOM 413 O GLU A 28 3.487 -0.949 -10.577 1.00 0.00 O ATOM 414 CB GLU A 28 5.565 -3.212 -10.157 1.00 0.00 C ATOM 415 CG GLU A 28 6.225 -4.084 -11.212 1.00 0.00 C ATOM 416 CD GLU A 28 7.600 -3.581 -11.607 1.00 0.00 C ATOM 417 OE1 GLU A 28 8.572 -3.884 -10.883 1.00 0.00 O ATOM 418 OE2 GLU A 28 7.705 -2.885 -12.639 1.00 0.00 O ATOM 0 H GLU A 28 7.430 -1.951 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 28 5.882 -1.534 -11.461 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.969 -3.472 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.498 -3.433 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.309 -5.103 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.589 -4.123 -12.096 1.00 0.00 H new ATOM 425 N ILE A 29 4.649 -0.302 -8.761 1.00 0.00 N ATOM 426 CA ILE A 29 3.546 0.465 -8.194 1.00 0.00 C ATOM 427 C ILE A 29 3.664 1.943 -8.551 1.00 0.00 C ATOM 428 O ILE A 29 2.662 2.614 -8.799 1.00 0.00 O ATOM 429 CB ILE A 29 3.490 0.322 -6.662 1.00 0.00 C ATOM 430 CG1 ILE A 29 2.888 -1.031 -6.276 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.685 1.460 -6.053 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.504 -1.259 -6.843 1.00 0.00 C ATOM 0 H ILE A 29 5.501 -0.293 -8.201 1.00 0.00 H new ATOM 0 HA ILE A 29 2.628 0.062 -8.622 1.00 0.00 H new ATOM 0 HB ILE A 29 4.506 0.371 -6.270 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.549 -1.826 -6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.843 -1.103 -5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.654 1.345 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.153 2.412 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.670 1.440 -6.449 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.139 -2.237 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.829 -0.485 -6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.546 -1.219 -7.931 1.00 0.00 H new ATOM 444 N ALA A 30 4.895 2.443 -8.578 1.00 0.00 N ATOM 445 CA ALA A 30 5.144 3.841 -8.909 1.00 0.00 C ATOM 446 C ALA A 30 4.622 4.177 -10.301 1.00 0.00 C ATOM 447 O ALA A 30 4.609 5.339 -10.708 1.00 0.00 O ATOM 448 CB ALA A 30 6.631 4.149 -8.813 1.00 0.00 C ATOM 0 H ALA A 30 5.735 1.901 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 30 4.608 4.460 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.803 5.196 -9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.978 3.957 -7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.180 3.515 -9.510 1.00 0.00 H new ATOM 454 N LYS A 31 4.191 3.153 -11.030 1.00 0.00 N ATOM 455 CA LYS A 31 3.667 3.338 -12.378 1.00 0.00 C ATOM 456 C LYS A 31 2.142 3.296 -12.378 1.00 0.00 C ATOM 457 O LYS A 31 1.487 4.167 -12.951 1.00 0.00 O ATOM 458 CB LYS A 31 4.218 2.261 -13.315 1.00 0.00 C ATOM 459 CG LYS A 31 4.289 0.883 -12.682 1.00 0.00 C ATOM 460 CD LYS A 31 4.865 -0.143 -13.643 1.00 0.00 C ATOM 461 CE LYS A 31 6.376 -0.010 -13.760 1.00 0.00 C ATOM 462 NZ LYS A 31 6.869 -0.443 -15.097 1.00 0.00 N ATOM 0 H LYS A 31 4.194 2.185 -10.709 1.00 0.00 H new ATOM 0 HA LYS A 31 3.987 4.317 -12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.591 2.211 -14.205 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.216 2.553 -13.643 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.904 0.926 -11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.291 0.572 -12.372 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.612 -1.146 -13.300 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.410 -0.018 -14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.664 1.027 -13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.854 -0.609 -12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.903 -0.337 -15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.617 -1.440 -15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.432 0.145 -15.835 1.00 0.00 H new ATOM 476 N VAL A 32 1.582 2.278 -11.732 1.00 0.00 N ATOM 477 CA VAL A 32 0.134 2.124 -11.656 1.00 0.00 C ATOM 478 C VAL A 32 -0.483 3.175 -10.741 1.00 0.00 C ATOM 479 O VAL A 32 -1.622 3.598 -10.942 1.00 0.00 O ATOM 480 CB VAL A 32 -0.255 0.723 -11.146 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.198 -0.347 -12.128 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.334 0.476 -9.766 1.00 0.00 C ATOM 0 H VAL A 32 2.109 1.548 -11.254 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.252 2.255 -12.667 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.341 0.673 -11.066 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.085 -1.330 -11.751 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.277 -0.178 -13.095 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.281 -0.301 -12.243 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.049 -0.518 -9.421 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.421 0.545 -9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.045 1.224 -9.069 1.00 0.00 H new ATOM 492 N THR A 33 0.276 3.595 -9.734 1.00 0.00 N ATOM 493 CA THR A 33 -0.196 4.597 -8.787 1.00 0.00 C ATOM 494 C THR A 33 0.895 5.615 -8.474 1.00 0.00 C ATOM 495 O THR A 33 1.880 5.297 -7.808 1.00 0.00 O ATOM 496 CB THR A 33 -0.669 3.948 -7.472 1.00 0.00 C ATOM 497 OG1 THR A 33 0.446 3.381 -6.776 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.706 2.869 -7.744 1.00 0.00 C ATOM 0 H THR A 33 1.221 3.256 -9.553 1.00 0.00 H new ATOM 0 HA THR A 33 -1.038 5.104 -9.257 1.00 0.00 H new ATOM 0 HB THR A 33 -1.126 4.722 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.189 4.020 -6.773 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.025 2.425 -6.801 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.567 3.310 -8.247 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.270 2.098 -8.379 1.00 0.00 H new ATOM 506 N GLU A 34 0.712 6.839 -8.958 1.00 0.00 N ATOM 507 CA GLU A 34 1.682 7.903 -8.729 1.00 0.00 C ATOM 508 C GLU A 34 1.437 8.583 -7.385 1.00 0.00 C ATOM 509 O GLU A 34 0.301 8.899 -7.034 1.00 0.00 O ATOM 510 CB GLU A 34 1.614 8.937 -9.855 1.00 0.00 C ATOM 511 CG GLU A 34 2.947 9.605 -10.150 1.00 0.00 C ATOM 512 CD GLU A 34 3.454 10.433 -8.985 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.941 11.555 -8.789 1.00 0.00 O ATOM 514 OE2 GLU A 34 4.363 9.961 -8.271 1.00 0.00 O ATOM 0 H GLU A 34 -0.098 7.118 -9.511 1.00 0.00 H new ATOM 0 HA GLU A 34 2.676 7.456 -8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.252 8.451 -10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.884 9.702 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.685 8.842 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.843 10.244 -11.027 1.00 0.00 H new ATOM 521 N GLY A 35 2.513 8.805 -6.635 1.00 0.00 N ATOM 522 CA GLY A 35 2.394 9.444 -5.338 1.00 0.00 C ATOM 523 C GLY A 35 2.914 8.573 -4.212 1.00 0.00 C ATOM 524 O GLY A 35 2.718 8.882 -3.037 1.00 0.00 O ATOM 0 H GLY A 35 3.464 8.553 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.944 10.385 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.348 9.688 -5.151 1.00 0.00 H new ATOM 528 N VAL A 36 3.579 7.479 -4.571 1.00 0.00 N ATOM 529 CA VAL A 36 4.129 6.560 -3.582 1.00 0.00 C ATOM 530 C VAL A 36 5.426 7.100 -2.991 1.00 0.00 C ATOM 531 O VAL A 36 6.063 7.983 -3.566 1.00 0.00 O ATOM 532 CB VAL A 36 4.394 5.171 -4.193 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.287 4.795 -5.165 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.751 5.143 -4.881 1.00 0.00 C ATOM 0 H VAL A 36 3.750 7.208 -5.539 1.00 0.00 H new ATOM 0 HA VAL A 36 3.386 6.464 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 36 4.404 4.435 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.492 3.811 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.333 4.773 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.242 5.531 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.923 4.155 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.772 5.889 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.532 5.365 -4.154 1.00 0.00 H new ATOM 544 N LEU A 37 5.814 6.563 -1.839 1.00 0.00 N ATOM 545 CA LEU A 37 7.037 6.990 -1.169 1.00 0.00 C ATOM 546 C LEU A 37 7.987 5.813 -0.967 1.00 0.00 C ATOM 547 O LEU A 37 9.175 5.901 -1.278 1.00 0.00 O ATOM 548 CB LEU A 37 6.706 7.630 0.180 1.00 0.00 C ATOM 549 CG LEU A 37 7.668 8.718 0.661 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.722 9.862 -0.340 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.254 9.226 2.034 1.00 0.00 C ATOM 0 H LEU A 37 5.299 5.831 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 37 7.531 7.727 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.705 8.058 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.672 6.844 0.934 1.00 0.00 H new ATOM 0 HG LEU A 37 8.665 8.286 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.411 10.627 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.066 9.486 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.728 10.294 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.949 9.999 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.248 9.642 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.268 8.401 2.746 1.00 0.00 H new ATOM 563 N ASP A 38 7.454 4.713 -0.448 1.00 0.00 N ATOM 564 CA ASP A 38 8.253 3.517 -0.208 1.00 0.00 C ATOM 565 C ASP A 38 7.359 2.302 0.018 1.00 0.00 C ATOM 566 O ASP A 38 6.266 2.417 0.574 1.00 0.00 O ATOM 567 CB ASP A 38 9.169 3.723 1.000 1.00 0.00 C ATOM 568 CG ASP A 38 10.516 4.300 0.614 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.288 3.596 -0.071 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.800 5.454 0.997 1.00 0.00 O ATOM 0 H ASP A 38 6.472 4.624 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 38 8.865 3.336 -1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.682 4.390 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.317 2.769 1.506 1.00 0.00 H new ATOM 575 N VAL A 39 7.830 1.137 -0.418 1.00 0.00 N ATOM 576 CA VAL A 39 7.073 -0.099 -0.264 1.00 0.00 C ATOM 577 C VAL A 39 7.729 -1.021 0.757 1.00 0.00 C ATOM 578 O VAL A 39 8.934 -1.267 0.702 1.00 0.00 O ATOM 579 CB VAL A 39 6.940 -0.847 -1.604 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.391 -2.248 -1.382 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.057 -0.065 -2.565 1.00 0.00 C ATOM 0 H VAL A 39 8.732 1.024 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 39 6.080 0.180 0.088 1.00 0.00 H new ATOM 0 HB VAL A 39 7.931 -0.938 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.304 -2.761 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.066 -2.805 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.408 -2.184 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.974 -0.608 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.066 0.059 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.498 0.915 -2.749 1.00 0.00 H new ATOM 591 N ILE A 40 6.928 -1.529 1.688 1.00 0.00 N ATOM 592 CA ILE A 40 7.431 -2.426 2.721 1.00 0.00 C ATOM 593 C ILE A 40 6.995 -3.864 2.461 1.00 0.00 C ATOM 594 O ILE A 40 5.992 -4.108 1.789 1.00 0.00 O ATOM 595 CB ILE A 40 6.949 -2.000 4.120 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.447 -0.592 4.449 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.423 -2.995 5.169 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.495 0.502 4.020 1.00 0.00 C ATOM 0 H ILE A 40 5.928 -1.335 1.748 1.00 0.00 H new ATOM 0 HA ILE A 40 8.519 -2.367 2.687 1.00 0.00 H new ATOM 0 HB ILE A 40 5.859 -1.989 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.614 -0.516 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.411 -0.434 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.075 -2.680 6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.022 -3.983 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.512 -3.036 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.913 1.473 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.347 0.453 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.538 0.370 4.524 1.00 0.00 H new ATOM 806 N PHE A 54 1.897 -10.560 -0.100 1.00 0.00 N ATOM 807 CA PHE A 54 1.359 -9.206 -0.038 1.00 0.00 C ATOM 808 C PHE A 54 2.472 -8.190 0.201 1.00 0.00 C ATOM 809 O PHE A 54 3.598 -8.553 0.540 1.00 0.00 O ATOM 810 CB PHE A 54 0.311 -9.102 1.072 1.00 0.00 C ATOM 811 CG PHE A 54 0.189 -7.722 1.653 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.150 -7.235 2.525 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.887 -6.911 1.327 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.039 -5.966 3.061 1.00 0.00 C ATOM 815 CE2 PHE A 54 -1.002 -5.641 1.860 1.00 0.00 C ATOM 816 CZ PHE A 54 -0.038 -5.168 2.727 1.00 0.00 C ATOM 0 HA PHE A 54 0.888 -8.984 -0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.657 -9.408 0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.566 -9.802 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.995 -7.854 2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.644 -7.276 0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.794 -5.598 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.845 -5.019 1.598 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.126 -4.175 3.144 1.00 0.00 H new ATOM 826 N ALA A 55 2.148 -6.914 0.020 1.00 0.00 N ATOM 827 CA ALA A 55 3.118 -5.844 0.216 1.00 0.00 C ATOM 828 C ALA A 55 2.430 -4.549 0.636 1.00 0.00 C ATOM 829 O ALA A 55 1.239 -4.358 0.389 1.00 0.00 O ATOM 830 CB ALA A 55 3.928 -5.626 -1.053 1.00 0.00 C ATOM 0 H ALA A 55 1.221 -6.596 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 55 3.793 -6.142 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.648 -4.824 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.458 -6.544 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.259 -5.354 -1.869 1.00 0.00 H new ATOM 836 N PHE A 56 3.187 -3.662 1.274 1.00 0.00 N ATOM 837 CA PHE A 56 2.650 -2.386 1.730 1.00 0.00 C ATOM 838 C PHE A 56 3.248 -1.228 0.936 1.00 0.00 C ATOM 839 O PHE A 56 4.454 -1.186 0.692 1.00 0.00 O ATOM 840 CB PHE A 56 2.930 -2.194 3.222 1.00 0.00 C ATOM 841 CG PHE A 56 1.812 -2.664 4.107 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.548 -2.107 4.004 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.025 -3.664 5.043 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.484 -2.538 4.817 1.00 0.00 C ATOM 845 CE2 PHE A 56 0.997 -4.099 5.858 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.258 -3.535 5.746 1.00 0.00 C ATOM 0 H PHE A 56 4.174 -3.804 1.487 1.00 0.00 H new ATOM 0 HA PHE A 56 1.572 -2.396 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.841 -2.732 3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.116 -1.138 3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.366 -1.327 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.005 -4.108 5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.465 -2.096 4.726 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.176 -4.880 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.062 -3.873 6.384 1.00 0.00 H new ATOM 856 N VAL A 57 2.396 -0.291 0.533 1.00 0.00 N ATOM 857 CA VAL A 57 2.839 0.867 -0.233 1.00 0.00 C ATOM 858 C VAL A 57 2.506 2.166 0.492 1.00 0.00 C ATOM 859 O VAL A 57 1.342 2.556 0.584 1.00 0.00 O ATOM 860 CB VAL A 57 2.196 0.894 -1.632 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.913 1.891 -2.531 1.00 0.00 C ATOM 862 CG2 VAL A 57 2.207 -0.496 -2.250 1.00 0.00 C ATOM 0 H VAL A 57 1.394 -0.312 0.725 1.00 0.00 H new ATOM 0 HA VAL A 57 3.920 0.781 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 57 1.159 1.214 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.444 1.896 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.849 2.887 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.960 1.605 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.749 -0.458 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.235 -0.846 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.645 -1.181 -1.615 1.00 0.00 H new ATOM 872 N GLU A 58 3.536 2.832 1.005 1.00 0.00 N ATOM 873 CA GLU A 58 3.351 4.088 1.722 1.00 0.00 C ATOM 874 C GLU A 58 3.308 5.267 0.754 1.00 0.00 C ATOM 875 O GLU A 58 4.218 5.454 -0.054 1.00 0.00 O ATOM 876 CB GLU A 58 4.476 4.290 2.739 1.00 0.00 C ATOM 877 CG GLU A 58 4.072 5.138 3.934 1.00 0.00 C ATOM 878 CD GLU A 58 5.232 5.929 4.507 1.00 0.00 C ATOM 879 OE1 GLU A 58 5.734 6.835 3.809 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.638 5.642 5.653 1.00 0.00 O ATOM 0 H GLU A 58 4.506 2.523 0.937 1.00 0.00 H new ATOM 0 HA GLU A 58 2.398 4.039 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.813 3.316 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.324 4.760 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.280 5.825 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.659 4.493 4.709 1.00 0.00 H new ATOM 887 N TYR A 59 2.245 6.058 0.842 1.00 0.00 N ATOM 888 CA TYR A 59 2.080 7.217 -0.028 1.00 0.00 C ATOM 889 C TYR A 59 2.270 8.514 0.752 1.00 0.00 C ATOM 890 O TYR A 59 1.720 8.682 1.840 1.00 0.00 O ATOM 891 CB TYR A 59 0.697 7.198 -0.681 1.00 0.00 C ATOM 892 CG TYR A 59 0.507 6.066 -1.665 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.225 4.778 -1.227 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.609 6.285 -3.034 1.00 0.00 C ATOM 895 CE1 TYR A 59 0.052 3.741 -2.122 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.435 5.254 -3.937 1.00 0.00 C ATOM 897 CZ TYR A 59 0.158 3.984 -3.476 1.00 0.00 C ATOM 898 OH TYR A 59 -0.016 2.953 -4.371 1.00 0.00 O ATOM 0 H TYR A 59 1.484 5.918 1.507 1.00 0.00 H new ATOM 0 HA TYR A 59 2.842 7.168 -0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.062 7.123 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.534 8.146 -1.194 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.140 4.585 -0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.828 7.278 -3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.165 2.745 -1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.515 5.441 -4.998 1.00 0.00 H new ATOM 0 HH TYR A 59 0.486 3.144 -5.191 1.00 0.00 H new ATOM 908 N GLU A 60 3.051 9.429 0.185 1.00 0.00 N ATOM 909 CA GLU A 60 3.313 10.712 0.827 1.00 0.00 C ATOM 910 C GLU A 60 2.022 11.503 1.009 1.00 0.00 C ATOM 911 O GLU A 60 1.776 12.077 2.070 1.00 0.00 O ATOM 912 CB GLU A 60 4.312 11.525 0.001 1.00 0.00 C ATOM 913 CG GLU A 60 3.832 11.827 -1.409 1.00 0.00 C ATOM 914 CD GLU A 60 4.852 12.606 -2.217 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.232 13.713 -1.782 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.269 12.109 -3.284 1.00 0.00 O ATOM 0 H GLU A 60 3.513 9.306 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 60 3.740 10.517 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.517 12.464 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.254 10.980 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.606 10.891 -1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.903 12.395 -1.359 1.00 0.00 H new ATOM 923 N SER A 61 1.199 11.530 -0.035 1.00 0.00 N ATOM 924 CA SER A 61 -0.065 12.255 0.006 1.00 0.00 C ATOM 925 C SER A 61 -1.206 11.334 0.429 1.00 0.00 C ATOM 926 O SER A 61 -1.436 10.290 -0.182 1.00 0.00 O ATOM 927 CB SER A 61 -0.371 12.869 -1.362 1.00 0.00 C ATOM 928 OG SER A 61 0.244 14.138 -1.500 1.00 0.00 O ATOM 0 H SER A 61 1.386 11.058 -0.920 1.00 0.00 H new ATOM 0 HA SER A 61 0.027 13.054 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.019 12.203 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.449 12.968 -1.487 1.00 0.00 H new ATOM 0 HG SER A 61 0.035 14.509 -2.383 1.00 0.00 H new ATOM 934 N HIS A 62 -1.918 11.728 1.480 1.00 0.00 N ATOM 935 CA HIS A 62 -3.035 10.939 1.986 1.00 0.00 C ATOM 936 C HIS A 62 -3.985 10.556 0.856 1.00 0.00 C ATOM 937 O HIS A 62 -4.600 9.490 0.884 1.00 0.00 O ATOM 938 CB HIS A 62 -3.792 11.719 3.062 1.00 0.00 C ATOM 939 CG HIS A 62 -5.169 11.193 3.326 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.410 9.925 3.813 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.383 11.771 3.169 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.712 9.746 3.943 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.325 10.852 3.560 1.00 0.00 N ATOM 0 H HIS A 62 -1.741 12.589 1.998 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.633 10.026 2.425 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.219 11.694 3.989 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.863 12.764 2.760 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.575 12.769 2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.194 8.848 4.301 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.334 10.999 3.556 1.00 0.00 H new ATOM 951 N ARG A 63 -4.100 11.432 -0.137 1.00 0.00 N ATOM 952 CA ARG A 63 -4.977 11.186 -1.276 1.00 0.00 C ATOM 953 C ARG A 63 -4.310 10.255 -2.284 1.00 0.00 C ATOM 954 O ARG A 63 -4.948 9.356 -2.830 1.00 0.00 O ATOM 955 CB ARG A 63 -5.351 12.505 -1.953 1.00 0.00 C ATOM 956 CG ARG A 63 -6.362 12.348 -3.077 1.00 0.00 C ATOM 957 CD ARG A 63 -7.736 11.974 -2.542 1.00 0.00 C ATOM 958 NE ARG A 63 -8.493 13.146 -2.110 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.184 13.921 -2.938 1.00 0.00 C ATOM 960 NH1 ARG A 63 -9.214 13.649 -4.236 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.847 14.970 -2.469 1.00 0.00 N ATOM 0 H ARG A 63 -3.597 12.318 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.883 10.705 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.756 13.186 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.448 12.968 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.430 13.279 -3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.020 11.581 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.295 11.446 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.624 11.286 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.491 13.382 -1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.706 12.843 -4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.745 14.246 -4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.826 15.182 -1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.377 15.565 -3.106 1.00 0.00 H new ATOM 975 N ALA A 64 -3.022 10.479 -2.527 1.00 0.00 N ATOM 976 CA ALA A 64 -2.268 9.661 -3.468 1.00 0.00 C ATOM 977 C ALA A 64 -2.608 8.183 -3.305 1.00 0.00 C ATOM 978 O ALA A 64 -2.563 7.417 -4.267 1.00 0.00 O ATOM 979 CB ALA A 64 -0.775 9.885 -3.283 1.00 0.00 C ATOM 0 H ALA A 64 -2.479 11.221 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.547 9.962 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.224 9.268 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.540 10.935 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.489 9.613 -2.267 1.00 0.00 H new ATOM 985 N ALA A 65 -2.947 7.790 -2.082 1.00 0.00 N ATOM 986 CA ALA A 65 -3.295 6.404 -1.794 1.00 0.00 C ATOM 987 C ALA A 65 -4.770 6.139 -2.077 1.00 0.00 C ATOM 988 O ALA A 65 -5.123 5.132 -2.690 1.00 0.00 O ATOM 989 CB ALA A 65 -2.965 6.066 -0.348 1.00 0.00 C ATOM 0 H ALA A 65 -2.988 8.412 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.705 5.763 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.230 5.028 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.898 6.208 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.530 6.720 0.317 1.00 0.00 H new ATOM 995 N ALA A 66 -5.628 7.049 -1.627 1.00 0.00 N ATOM 996 CA ALA A 66 -7.064 6.913 -1.833 1.00 0.00 C ATOM 997 C ALA A 66 -7.399 6.822 -3.318 1.00 0.00 C ATOM 998 O ALA A 66 -8.201 5.986 -3.733 1.00 0.00 O ATOM 999 CB ALA A 66 -7.802 8.080 -1.194 1.00 0.00 C ATOM 0 H ALA A 66 -5.353 7.889 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.388 5.988 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.874 7.965 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.596 8.098 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.465 9.014 -1.644 1.00 0.00 H new ATOM 1005 N MET A 67 -6.780 7.689 -4.113 1.00 0.00 N ATOM 1006 CA MET A 67 -7.013 7.705 -5.553 1.00 0.00 C ATOM 1007 C MET A 67 -6.168 6.647 -6.253 1.00 0.00 C ATOM 1008 O MET A 67 -6.363 6.364 -7.434 1.00 0.00 O ATOM 1009 CB MET A 67 -6.697 9.088 -6.126 1.00 0.00 C ATOM 1010 CG MET A 67 -5.240 9.492 -5.971 1.00 0.00 C ATOM 1011 SD MET A 67 -4.725 10.716 -7.190 1.00 0.00 S ATOM 1012 CE MET A 67 -3.008 10.263 -7.421 1.00 0.00 C ATOM 0 H MET A 67 -6.114 8.389 -3.785 1.00 0.00 H new ATOM 0 HA MET A 67 -8.065 7.478 -5.728 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.959 9.102 -7.184 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.325 9.829 -5.632 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.083 9.894 -4.970 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.610 8.607 -6.062 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.690 10.542 -8.426 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.392 10.784 -6.688 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.895 9.187 -7.291 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.227 6.064 -5.516 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.353 5.036 -6.066 1.00 0.00 C ATOM 1024 C ALA A 68 -4.995 3.656 -5.961 1.00 0.00 C ATOM 1025 O ALA A 68 -4.604 2.724 -6.663 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.009 5.050 -5.354 1.00 0.00 C ATOM 0 H ALA A 68 -5.051 6.287 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.195 5.255 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.366 4.277 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.538 6.024 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.158 4.859 -4.291 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.982 3.534 -5.079 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.677 2.267 -4.881 1.00 0.00 C ATOM 1034 C ARG A 69 -7.856 2.138 -5.841 1.00 0.00 C ATOM 1035 O ARG A 69 -8.067 1.085 -6.443 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.166 2.150 -3.437 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.855 3.403 -2.923 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.471 3.178 -1.551 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.817 2.618 -1.641 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.888 3.329 -1.975 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -10.771 4.621 -2.250 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -12.079 2.748 -2.035 1.00 0.00 N ATOM 0 H ARG A 69 -6.318 4.296 -4.491 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.974 1.460 -5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.857 1.310 -3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.317 1.922 -2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.135 4.220 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.631 3.707 -3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.836 2.505 -0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.507 4.124 -1.010 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.941 1.627 -1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.857 5.071 -2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.595 5.165 -2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.173 1.754 -1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.901 3.295 -2.292 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.621 3.216 -5.978 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.780 3.223 -6.863 1.00 0.00 C ATOM 1058 C ARG A 70 -9.390 2.789 -8.273 1.00 0.00 C ATOM 1059 O ARG A 70 -10.247 2.456 -9.092 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.410 4.616 -6.902 1.00 0.00 C ATOM 1061 CG ARG A 70 -9.839 5.512 -7.989 1.00 0.00 C ATOM 1062 CD ARG A 70 -10.318 6.947 -7.836 1.00 0.00 C ATOM 1063 NE ARG A 70 -9.459 7.890 -8.547 1.00 0.00 N ATOM 1064 CZ ARG A 70 -9.449 9.197 -8.312 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -10.247 9.714 -7.388 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -8.638 9.990 -9.000 1.00 0.00 N ATOM 0 H ARG A 70 -8.459 4.096 -5.488 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.509 2.513 -6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.485 4.515 -7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.268 5.097 -5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.750 5.485 -7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.133 5.132 -8.967 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.338 7.031 -8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.346 7.209 -6.778 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.832 7.525 -9.264 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.871 9.107 -6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.237 10.718 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.021 9.596 -9.710 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.631 10.994 -8.819 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.090 2.796 -8.550 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.585 2.404 -9.861 1.00 0.00 C ATOM 1082 C LYS A 71 -7.355 0.897 -9.926 1.00 0.00 C ATOM 1083 O LYS A 71 -7.623 0.262 -10.946 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.281 3.143 -10.170 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.777 2.922 -11.585 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.365 3.454 -11.764 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.644 2.748 -12.902 1.00 0.00 C ATOM 1088 NZ LYS A 71 -4.154 3.179 -14.233 1.00 0.00 N ATOM 0 H LYS A 71 -7.367 3.069 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.333 2.673 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.432 4.211 -10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.514 2.820 -9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.798 1.857 -11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.445 3.415 -12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.401 4.525 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.805 3.321 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.576 2.954 -12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.768 1.670 -12.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.638 2.675 -14.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.168 2.960 -14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.013 4.203 -14.344 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.859 0.331 -8.831 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.594 -1.102 -8.764 1.00 0.00 C ATOM 1104 C LEU A 72 -7.668 -1.816 -7.950 1.00 0.00 C ATOM 1105 O LEU A 72 -7.606 -3.029 -7.750 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.217 -1.358 -8.149 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.131 -0.336 -8.486 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.895 -0.569 -7.631 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.779 -0.401 -9.965 1.00 0.00 C ATOM 0 H LEU A 72 -6.632 0.842 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.610 -1.498 -9.779 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.327 -1.398 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.875 -2.342 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.516 0.660 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.133 0.168 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.158 -0.471 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.508 -1.571 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.005 0.333 -10.187 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.414 -1.399 -10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.666 -0.184 -10.560 1.00 0.00 H new ATOM 1121 N MET A 73 -8.654 -1.056 -7.484 1.00 0.00 N ATOM 1122 CA MET A 73 -9.744 -1.617 -6.695 1.00 0.00 C ATOM 1123 C MET A 73 -10.519 -2.656 -7.499 1.00 0.00 C ATOM 1124 O MET A 73 -10.730 -3.786 -7.058 1.00 0.00 O ATOM 1125 CB MET A 73 -10.689 -0.507 -6.229 1.00 0.00 C ATOM 1126 CG MET A 73 -11.243 -0.729 -4.831 1.00 0.00 C ATOM 1127 SD MET A 73 -12.203 -2.249 -4.697 1.00 0.00 S ATOM 1128 CE MET A 73 -11.230 -3.159 -3.499 1.00 0.00 C ATOM 0 H MET A 73 -8.720 -0.050 -7.639 1.00 0.00 H new ATOM 0 HA MET A 73 -9.312 -2.107 -5.822 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.159 0.445 -6.254 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.519 -0.428 -6.932 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.419 -0.761 -4.119 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.871 0.118 -4.555 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.697 -4.126 -3.310 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.224 -3.312 -3.889 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.177 -2.594 -2.569 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.953 -2.267 -8.707 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.711 -3.151 -9.598 1.00 0.00 C ATOM 1140 C PRO A 74 -10.855 -4.280 -10.161 1.00 0.00 C ATOM 1141 O PRO A 74 -11.320 -5.081 -10.970 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.169 -2.216 -10.720 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.167 -1.113 -10.727 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.738 -0.935 -9.296 1.00 0.00 C ATOM 0 HA PRO A 74 -12.530 -3.648 -9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.196 -2.733 -11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.174 -1.837 -10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.316 -1.362 -11.361 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.601 -0.194 -11.122 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.695 -0.628 -9.225 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.330 -0.172 -8.791 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.599 -4.337 -9.727 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.697 -5.372 -10.199 1.00 0.00 C ATOM 1154 C GLY A 75 -8.468 -5.302 -11.695 1.00 0.00 C ATOM 1155 O GLY A 75 -8.289 -6.329 -12.351 1.00 0.00 O ATOM 0 H GLY A 75 -9.190 -3.685 -9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.741 -5.280 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.104 -6.350 -9.942 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.474 -4.089 -12.238 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.267 -3.891 -13.667 1.00 0.00 C ATOM 1161 C ARG A 76 -6.809 -4.136 -14.045 1.00 0.00 C ATOM 1162 O ARG A 76 -6.518 -4.855 -15.001 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.679 -2.474 -14.072 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.183 -2.287 -14.189 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.543 -0.837 -14.473 1.00 0.00 C ATOM 1166 NE ARG A 76 -11.892 -0.509 -14.019 1.00 0.00 N ATOM 1167 CZ ARG A 76 -12.995 -0.908 -14.643 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -12.909 -1.645 -15.742 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -14.187 -0.569 -14.168 1.00 0.00 N ATOM 0 H ARG A 76 -8.620 -3.229 -11.710 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.888 -4.610 -14.201 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.290 -1.768 -13.339 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.215 -2.229 -15.028 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.569 -2.922 -14.987 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.664 -2.608 -13.265 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.825 -0.182 -13.979 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.465 -0.647 -15.543 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.993 0.057 -13.177 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.995 -1.907 -16.110 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.757 -1.950 -16.219 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.257 -0.002 -13.323 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.033 -0.876 -14.648 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.898 -3.532 -13.289 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.471 -3.686 -13.545 1.00 0.00 C ATOM 1185 C ILE A 77 -3.889 -4.839 -12.735 1.00 0.00 C ATOM 1186 O ILE A 77 -4.270 -5.057 -11.586 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.698 -2.396 -13.211 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.123 -1.264 -14.148 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.199 -2.637 -13.309 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.264 -0.429 -13.608 1.00 0.00 C ATOM 0 H ILE A 77 -6.122 -2.932 -12.495 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.361 -3.901 -14.608 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.933 -2.103 -12.188 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.266 -0.617 -14.335 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.417 -1.689 -15.108 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.666 -1.717 -13.070 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.909 -3.417 -12.605 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.946 -2.950 -14.322 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.512 0.354 -14.324 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.135 -1.064 -13.448 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.967 0.025 -12.663 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.961 -5.572 -13.342 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.325 -6.702 -12.677 1.00 0.00 C ATOM 1204 C GLN A 78 -0.812 -6.519 -12.620 1.00 0.00 C ATOM 1205 O GLN A 78 -0.234 -5.782 -13.421 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.666 -8.006 -13.401 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.150 -8.336 -13.392 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.456 -9.662 -14.061 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -3.982 -9.938 -15.163 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -5.253 -10.490 -13.396 1.00 0.00 N ATOM 0 H GLN A 78 -2.633 -5.403 -14.293 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.706 -6.751 -11.657 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.323 -7.939 -14.434 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.117 -8.825 -12.935 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.507 -8.362 -12.362 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.698 -7.542 -13.899 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.623 -10.220 -12.485 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.495 -11.396 -13.796 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.174 -7.193 -11.669 1.00 0.00 N ATOM 1220 CA LEU A 79 1.273 -7.105 -11.507 1.00 0.00 C ATOM 1221 C LEU A 79 1.948 -8.406 -11.929 1.00 0.00 C ATOM 1222 O LEU A 79 1.721 -9.457 -11.329 1.00 0.00 O ATOM 1223 CB LEU A 79 1.625 -6.782 -10.054 1.00 0.00 C ATOM 1224 CG LEU A 79 1.133 -5.433 -9.528 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.473 -5.278 -8.054 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.734 -4.294 -10.338 1.00 0.00 C ATOM 0 H LEU A 79 -0.636 -7.807 -10.998 1.00 0.00 H new ATOM 0 HA LEU A 79 1.638 -6.303 -12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.216 -7.568 -9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.709 -6.817 -9.947 1.00 0.00 H new ATOM 0 HG LEU A 79 0.049 -5.397 -9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.115 -4.312 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.995 -6.075 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.553 -5.336 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.373 -3.342 -9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.821 -4.328 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.439 -4.395 -11.382 1.00 0.00 H new ATOM 1238 N TRP A 80 2.779 -8.327 -12.962 1.00 0.00 N ATOM 1239 CA TRP A 80 3.490 -9.498 -13.462 1.00 0.00 C ATOM 1240 C TRP A 80 2.512 -10.593 -13.876 1.00 0.00 C ATOM 1241 O TRP A 80 2.740 -11.773 -13.614 1.00 0.00 O ATOM 1242 CB TRP A 80 4.450 -10.031 -12.397 1.00 0.00 C ATOM 1243 CG TRP A 80 5.266 -8.958 -11.742 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.361 -8.328 -12.261 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.051 -8.390 -10.445 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.840 -7.404 -11.365 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.054 -7.421 -10.244 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.109 -8.604 -9.436 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.139 -6.671 -9.074 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.196 -7.859 -8.275 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.204 -6.901 -8.102 1.00 0.00 C ATOM 0 H TRP A 80 2.977 -7.465 -13.470 1.00 0.00 H new ATOM 0 HA TRP A 80 4.063 -9.197 -14.339 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.878 -10.559 -11.634 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.120 -10.759 -12.854 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.787 -8.527 -13.233 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.650 -6.802 -11.511 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.327 -9.338 -9.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.916 -5.933 -8.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.474 -8.018 -7.487 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.244 -6.333 -7.184 1.00 0.00 H new ATOM 1262 N GLY A 81 1.422 -10.193 -14.524 1.00 0.00 N ATOM 1263 CA GLY A 81 0.427 -11.152 -14.963 1.00 0.00 C ATOM 1264 C GLY A 81 -0.338 -11.765 -13.807 1.00 0.00 C ATOM 1265 O GLY A 81 -1.104 -12.712 -13.992 1.00 0.00 O ATOM 0 H GLY A 81 1.211 -9.222 -14.752 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.274 -10.661 -15.638 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.916 -11.943 -15.531 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.130 -11.226 -12.610 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.805 -11.727 -11.418 1.00 0.00 C ATOM 1271 C HIS A 82 -1.860 -10.737 -10.935 1.00 0.00 C ATOM 1272 O HIS A 82 -1.624 -9.530 -10.906 1.00 0.00 O ATOM 1273 CB HIS A 82 0.210 -11.993 -10.305 1.00 0.00 C ATOM 1274 CG HIS A 82 1.078 -13.186 -10.558 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.559 -13.995 -9.550 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.550 -13.708 -11.715 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.291 -14.961 -10.075 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.301 -14.810 -11.387 1.00 0.00 N ATOM 0 H HIS A 82 0.500 -10.442 -12.440 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.301 -12.662 -11.677 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.842 -11.113 -10.183 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.323 -12.135 -9.365 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.370 -13.329 -12.710 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.796 -15.742 -9.525 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.788 -15.414 -12.049 1.00 0.00 H new ATOM 1286 N GLN A 83 -3.024 -11.257 -10.557 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.115 -10.418 -10.077 1.00 0.00 C ATOM 1288 C GLN A 83 -3.753 -9.762 -8.748 1.00 0.00 C ATOM 1289 O GLN A 83 -3.152 -10.392 -7.878 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.392 -11.245 -9.920 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.530 -10.488 -9.255 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.406 -9.757 -10.253 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -8.067 -10.376 -11.088 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -7.416 -8.431 -10.173 1.00 0.00 N ATOM 0 H GLN A 83 -3.235 -12.255 -10.574 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.287 -9.633 -10.814 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.718 -11.584 -10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.168 -12.136 -9.333 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.141 -11.187 -8.684 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.118 -9.771 -8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.853 -7.958 -9.466 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.987 -7.885 -10.819 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.124 -8.494 -8.600 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.839 -7.754 -7.377 1.00 0.00 C ATOM 1305 C ILE A 84 -5.063 -6.976 -6.907 1.00 0.00 C ATOM 1306 O ILE A 84 -5.922 -6.609 -7.708 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.666 -6.775 -7.572 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.892 -5.916 -8.817 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.353 -7.536 -7.678 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.660 -4.643 -8.542 1.00 0.00 C ATOM 0 H ILE A 84 -4.622 -7.959 -9.311 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.566 -8.489 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.613 -6.117 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.926 -5.661 -9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.432 -6.503 -9.560 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.534 -6.830 -7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.190 -8.108 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.394 -8.215 -8.530 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.783 -4.084 -9.470 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.640 -4.890 -8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.111 -4.035 -7.823 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.135 -6.727 -5.604 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.252 -5.989 -5.027 1.00 0.00 C ATOM 1324 C ALA A 85 -5.770 -5.001 -3.970 1.00 0.00 C ATOM 1325 O ALA A 85 -4.798 -5.261 -3.260 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.268 -6.951 -4.430 1.00 0.00 C ATOM 0 H ALA A 85 -4.433 -7.026 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.731 -5.421 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.097 -6.386 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.644 -7.613 -5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.792 -7.544 -3.649 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.456 -3.867 -3.870 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.098 -2.840 -2.899 1.00 0.00 C ATOM 1334 C VAL A 86 -7.146 -2.737 -1.797 1.00 0.00 C ATOM 1335 O VAL A 86 -8.347 -2.790 -2.062 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.938 -1.463 -3.571 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.609 -1.379 -4.306 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.099 -1.195 -4.517 1.00 0.00 C ATOM 0 H VAL A 86 -7.263 -3.636 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.144 -3.136 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.946 -0.696 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.514 -0.399 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.792 -1.524 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.567 -2.153 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.970 -0.218 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.125 -1.965 -5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.035 -1.210 -3.958 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.684 -2.590 -0.560 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.581 -2.477 0.583 1.00 0.00 C ATOM 1350 C ASP A 87 -7.106 -1.390 1.542 1.00 0.00 C ATOM 1351 O ASP A 87 -5.912 -1.106 1.631 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.677 -3.816 1.317 1.00 0.00 C ATOM 1353 CG ASP A 87 -9.022 -4.014 1.987 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -10.004 -4.303 1.272 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -9.094 -3.879 3.227 1.00 0.00 O ATOM 0 H ASP A 87 -5.693 -2.546 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.569 -2.203 0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.503 -4.628 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.889 -3.873 2.068 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.049 -0.786 2.257 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.726 0.270 3.209 1.00 0.00 C ATOM 1362 C TRP A 88 -7.000 -0.295 4.425 1.00 0.00 C ATOM 1363 O TRP A 88 -7.561 -1.085 5.183 1.00 0.00 O ATOM 1364 CB TRP A 88 -9.000 0.993 3.651 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.363 2.149 2.770 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.526 2.316 2.074 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.557 3.299 2.488 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.492 3.499 1.377 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.295 4.121 1.615 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.285 3.714 2.890 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.801 5.333 1.138 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.795 4.916 2.416 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.552 5.714 1.548 1.00 0.00 C ATOM 0 H TRP A 88 -9.042 -1.009 2.195 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.065 0.981 2.714 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.826 0.282 3.665 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.870 1.351 4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.352 1.620 2.072 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.237 3.856 0.779 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.695 3.106 3.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.383 5.950 0.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.812 5.246 2.720 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.142 6.649 1.195 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.748 0.116 4.605 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.947 -0.349 5.730 1.00 0.00 C ATOM 1386 C ALA A 89 -5.572 0.066 7.058 1.00 0.00 C ATOM 1387 O ALA A 89 -5.953 -0.781 7.865 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.527 0.187 5.623 1.00 0.00 C ATOM 0 H ALA A 89 -5.268 0.769 3.986 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.917 -1.438 5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.939 -0.168 6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.075 -0.163 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.548 1.277 5.627 1.00 0.00 H new