USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=11 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 9:sc= -0.721! USER MOD Set 1.2: A 59 TYR OH : rot -155:sc= -0.0077! USER MOD Set 2.1: A 9 CYS SG : rot 167:sc= -1.48! USER MOD Set 2.2: A 62 HIS : no HE2:sc= 0.0662 K(o=-1.4,f=-6.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 149:sc= -0.321 (180deg=-1.21) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 0.0787 (180deg=0.0447) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 146:sc= -0.0125 (180deg=-1.08) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 0.345 (180deg=0.197) USER MOD Single : A 73 MET CE :methyl -130:sc= -0.567 (180deg=-0.872) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -1.32 F(o=-2,f=-1.3) USER MOD Single : A 83 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 0.299 7.328 4.856 1.00 0.00 N ATOM 81 CA CYS A 9 -0.737 6.517 4.227 1.00 0.00 C ATOM 82 C CYS A 9 -0.140 5.259 3.603 1.00 0.00 C ATOM 83 O CYS A 9 0.933 5.303 3.001 1.00 0.00 O ATOM 84 CB CYS A 9 -1.473 7.329 3.160 1.00 0.00 C ATOM 85 SG CYS A 9 -3.197 6.841 2.919 1.00 0.00 S ATOM 0 HA CYS A 9 -1.446 6.217 4.999 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.440 8.383 3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.943 7.229 2.213 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.812 7.750 2.221 1.00 0.00 H new ATOM 91 N ARG A 10 -0.840 4.140 3.755 1.00 0.00 N ATOM 92 CA ARG A 10 -0.377 2.870 3.209 1.00 0.00 C ATOM 93 C ARG A 10 -1.531 2.097 2.577 1.00 0.00 C ATOM 94 O ARG A 10 -2.616 1.999 3.152 1.00 0.00 O ATOM 95 CB ARG A 10 0.274 2.026 4.307 1.00 0.00 C ATOM 96 CG ARG A 10 1.753 2.317 4.501 1.00 0.00 C ATOM 97 CD ARG A 10 2.332 1.514 5.655 1.00 0.00 C ATOM 98 NE ARG A 10 2.218 2.222 6.927 1.00 0.00 N ATOM 99 CZ ARG A 10 2.451 1.657 8.106 1.00 0.00 C ATOM 100 NH1 ARG A 10 2.811 0.383 8.175 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.326 2.367 9.220 1.00 0.00 N ATOM 0 H ARG A 10 -1.729 4.087 4.251 1.00 0.00 H new ATOM 0 HA ARG A 10 0.362 3.083 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.249 2.202 5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.148 0.971 4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.294 2.082 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.894 3.381 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.815 0.557 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.381 1.296 5.454 1.00 0.00 H new ATOM 0 HE ARG A 10 1.944 3.204 6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.910 -0.166 7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.989 -0.048 9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.051 3.348 9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.505 1.932 10.125 1.00 0.00 H new ATOM 115 N LEU A 11 -1.290 1.551 1.390 1.00 0.00 N ATOM 116 CA LEU A 11 -2.309 0.787 0.678 1.00 0.00 C ATOM 117 C LEU A 11 -2.102 -0.711 0.874 1.00 0.00 C ATOM 118 O LEU A 11 -0.973 -1.201 0.849 1.00 0.00 O ATOM 119 CB LEU A 11 -2.280 1.127 -0.813 1.00 0.00 C ATOM 120 CG LEU A 11 -2.850 2.492 -1.202 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.831 2.668 -2.712 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.263 2.654 -0.661 1.00 0.00 C ATOM 0 H LEU A 11 -0.398 1.623 0.900 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.283 1.057 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.247 1.076 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.834 0.358 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.223 3.266 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.240 3.645 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.805 2.597 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.434 1.888 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.652 3.631 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.902 1.873 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.248 2.574 0.426 1.00 0.00 H new ATOM 134 N PHE A 12 -3.200 -1.435 1.067 1.00 0.00 N ATOM 135 CA PHE A 12 -3.139 -2.878 1.266 1.00 0.00 C ATOM 136 C PHE A 12 -3.137 -3.612 -0.072 1.00 0.00 C ATOM 137 O PHE A 12 -4.169 -3.720 -0.734 1.00 0.00 O ATOM 138 CB PHE A 12 -4.322 -3.347 2.115 1.00 0.00 C ATOM 139 CG PHE A 12 -4.249 -4.799 2.494 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.669 -5.781 1.611 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.760 -5.182 3.733 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.604 -7.117 1.958 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.692 -6.517 4.085 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.114 -7.486 3.195 1.00 0.00 C ATOM 0 H PHE A 12 -4.142 -1.046 1.090 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.211 -3.109 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.369 -2.745 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.246 -3.169 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.051 -5.499 0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.428 -4.428 4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.936 -7.873 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.310 -6.802 5.054 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.061 -8.530 3.466 1.00 0.00 H new ATOM 154 N ILE A 13 -1.970 -4.112 -0.463 1.00 0.00 N ATOM 155 CA ILE A 13 -1.833 -4.836 -1.721 1.00 0.00 C ATOM 156 C ILE A 13 -1.722 -6.338 -1.482 1.00 0.00 C ATOM 157 O ILE A 13 -0.730 -6.819 -0.936 1.00 0.00 O ATOM 158 CB ILE A 13 -0.599 -4.361 -2.512 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.448 -2.843 -2.400 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.711 -4.781 -3.970 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.650 -2.076 -2.906 1.00 0.00 C ATOM 0 H ILE A 13 -1.106 -4.029 0.073 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.731 -4.629 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 13 0.289 -4.828 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.272 -2.580 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.434 -2.532 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.168 -4.438 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.776 -5.867 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.606 -4.339 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.472 -1.006 -2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.814 -2.310 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.531 -2.359 -2.330 1.00 0.00 H new ATOM 173 N GLY A 14 -2.747 -7.075 -1.897 1.00 0.00 N ATOM 174 CA GLY A 14 -2.745 -8.516 -1.722 1.00 0.00 C ATOM 175 C GLY A 14 -2.898 -9.260 -3.033 1.00 0.00 C ATOM 176 O GLY A 14 -3.589 -8.798 -3.940 1.00 0.00 O ATOM 0 H GLY A 14 -3.580 -6.700 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.814 -8.819 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.556 -8.798 -1.051 1.00 0.00 H new ATOM 180 N GLY A 15 -2.250 -10.417 -3.134 1.00 0.00 N ATOM 181 CA GLY A 15 -2.329 -11.207 -4.349 1.00 0.00 C ATOM 182 C GLY A 15 -1.130 -11.001 -5.254 1.00 0.00 C ATOM 183 O GLY A 15 -1.267 -10.965 -6.477 1.00 0.00 O ATOM 0 H GLY A 15 -1.672 -10.821 -2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.406 -12.262 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.238 -10.945 -4.890 1.00 0.00 H new ATOM 187 N ILE A 16 0.046 -10.864 -4.653 1.00 0.00 N ATOM 188 CA ILE A 16 1.273 -10.659 -5.413 1.00 0.00 C ATOM 189 C ILE A 16 2.187 -11.876 -5.319 1.00 0.00 C ATOM 190 O ILE A 16 2.162 -12.629 -4.346 1.00 0.00 O ATOM 191 CB ILE A 16 2.039 -9.416 -4.922 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.181 -9.447 -3.399 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.330 -8.146 -5.368 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.243 -8.507 -2.872 1.00 0.00 C ATOM 0 H ILE A 16 0.176 -10.891 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 16 0.979 -10.507 -6.452 1.00 0.00 H new ATOM 0 HB ILE A 16 3.036 -9.425 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.223 -9.190 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.419 -10.463 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.884 -7.277 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.276 -8.123 -6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.322 -8.128 -4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.288 -8.582 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.211 -8.777 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.996 -7.484 -3.155 1.00 0.00 H new ATOM 206 N PRO A 17 3.016 -12.074 -6.355 1.00 0.00 N ATOM 207 CA PRO A 17 3.957 -13.197 -6.413 1.00 0.00 C ATOM 208 C PRO A 17 5.092 -13.055 -5.405 1.00 0.00 C ATOM 209 O PRO A 17 5.690 -11.987 -5.274 1.00 0.00 O ATOM 210 CB PRO A 17 4.500 -13.132 -7.842 1.00 0.00 C ATOM 211 CG PRO A 17 4.341 -11.706 -8.243 1.00 0.00 C ATOM 212 CD PRO A 17 3.100 -11.217 -7.549 1.00 0.00 C ATOM 0 HA PRO A 17 3.476 -14.144 -6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.545 -13.441 -7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.946 -13.794 -8.507 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.210 -11.118 -7.948 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.246 -11.613 -9.325 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.178 -10.163 -7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.218 -11.322 -8.181 1.00 0.00 H new ATOM 220 N LYS A 18 5.384 -14.138 -4.693 1.00 0.00 N ATOM 221 CA LYS A 18 6.450 -14.135 -3.697 1.00 0.00 C ATOM 222 C LYS A 18 7.812 -13.948 -4.358 1.00 0.00 C ATOM 223 O LYS A 18 8.594 -13.088 -3.954 1.00 0.00 O ATOM 224 CB LYS A 18 6.433 -15.441 -2.900 1.00 0.00 C ATOM 225 CG LYS A 18 5.162 -15.647 -2.095 1.00 0.00 C ATOM 226 CD LYS A 18 4.927 -17.117 -1.790 1.00 0.00 C ATOM 227 CE LYS A 18 3.457 -17.402 -1.520 1.00 0.00 C ATOM 228 NZ LYS A 18 2.722 -17.750 -2.767 1.00 0.00 N ATOM 0 H LYS A 18 4.897 -15.030 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 18 6.278 -13.299 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.557 -16.278 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.288 -15.455 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.226 -15.087 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.311 -15.249 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.268 -17.723 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.521 -17.409 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.371 -18.222 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.996 -16.528 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.724 -17.937 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.782 -16.958 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.145 -18.599 -3.194 1.00 0.00 H new ATOM 242 N MET A 19 8.087 -14.757 -5.376 1.00 0.00 N ATOM 243 CA MET A 19 9.354 -14.677 -6.094 1.00 0.00 C ATOM 244 C MET A 19 9.807 -13.228 -6.237 1.00 0.00 C ATOM 245 O MET A 19 11.001 -12.931 -6.179 1.00 0.00 O ATOM 246 CB MET A 19 9.224 -15.322 -7.475 1.00 0.00 C ATOM 247 CG MET A 19 8.120 -14.716 -8.326 1.00 0.00 C ATOM 248 SD MET A 19 7.528 -15.845 -9.602 1.00 0.00 S ATOM 249 CE MET A 19 6.853 -17.166 -8.599 1.00 0.00 C ATOM 0 H MET A 19 7.450 -15.475 -5.722 1.00 0.00 H new ATOM 0 HA MET A 19 10.104 -15.218 -5.518 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.173 -15.226 -8.003 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.034 -16.388 -7.353 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.287 -14.430 -7.684 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.488 -13.804 -8.796 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.015 -17.628 -9.121 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.624 -17.915 -8.416 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.508 -16.761 -7.648 1.00 0.00 H new ATOM 259 N LYS A 20 8.848 -12.328 -6.424 1.00 0.00 N ATOM 260 CA LYS A 20 9.147 -10.909 -6.574 1.00 0.00 C ATOM 261 C LYS A 20 9.791 -10.351 -5.309 1.00 0.00 C ATOM 262 O LYS A 20 9.792 -11.001 -4.263 1.00 0.00 O ATOM 263 CB LYS A 20 7.871 -10.129 -6.897 1.00 0.00 C ATOM 264 CG LYS A 20 7.553 -10.069 -8.381 1.00 0.00 C ATOM 265 CD LYS A 20 7.570 -11.452 -9.011 1.00 0.00 C ATOM 266 CE LYS A 20 7.002 -11.429 -10.422 1.00 0.00 C ATOM 267 NZ LYS A 20 7.535 -12.544 -11.253 1.00 0.00 N ATOM 0 H LYS A 20 7.855 -12.557 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 20 9.852 -10.797 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.033 -10.588 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.969 -9.113 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.573 -9.614 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.279 -9.430 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.592 -11.829 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.991 -12.140 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.915 -11.497 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.242 -10.477 -10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.960 -12.641 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.521 -12.341 -11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.497 -13.430 -10.710 1.00 0.00 H new ATOM 281 N LYS A 21 10.336 -9.144 -5.410 1.00 0.00 N ATOM 282 CA LYS A 21 10.980 -8.497 -4.273 1.00 0.00 C ATOM 283 C LYS A 21 10.397 -7.107 -4.037 1.00 0.00 C ATOM 284 O LYS A 21 9.705 -6.559 -4.895 1.00 0.00 O ATOM 285 CB LYS A 21 12.489 -8.396 -4.506 1.00 0.00 C ATOM 286 CG LYS A 21 13.193 -9.741 -4.524 1.00 0.00 C ATOM 287 CD LYS A 21 14.448 -9.702 -5.380 1.00 0.00 C ATOM 288 CE LYS A 21 14.132 -9.962 -6.845 1.00 0.00 C ATOM 289 NZ LYS A 21 15.205 -9.451 -7.742 1.00 0.00 N ATOM 0 H LYS A 21 10.345 -8.593 -6.269 1.00 0.00 H new ATOM 0 HA LYS A 21 10.795 -9.105 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.669 -7.889 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.928 -7.776 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.455 -10.029 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.514 -10.503 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.929 -8.729 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.157 -10.448 -5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.004 -11.033 -7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.186 -9.486 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.953 -9.647 -8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.310 -8.425 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.103 -9.923 -7.513 1.00 0.00 H new ATOM 303 N ARG A 22 10.682 -6.542 -2.868 1.00 0.00 N ATOM 304 CA ARG A 22 10.186 -5.216 -2.519 1.00 0.00 C ATOM 305 C ARG A 22 10.662 -4.175 -3.528 1.00 0.00 C ATOM 306 O ARG A 22 9.874 -3.365 -4.016 1.00 0.00 O ATOM 307 CB ARG A 22 10.650 -4.828 -1.114 1.00 0.00 C ATOM 308 CG ARG A 22 12.141 -4.552 -1.019 1.00 0.00 C ATOM 309 CD ARG A 22 12.551 -4.188 0.400 1.00 0.00 C ATOM 310 NE ARG A 22 13.999 -4.053 0.534 1.00 0.00 N ATOM 311 CZ ARG A 22 14.592 -3.514 1.593 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.865 -3.061 2.605 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.915 -3.427 1.641 1.00 0.00 N ATOM 0 H ARG A 22 11.254 -6.982 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 22 9.097 -5.246 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.104 -3.941 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.393 -5.629 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.696 -5.431 -1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.405 -3.739 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.072 -3.252 0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.193 -4.954 1.088 1.00 0.00 H new ATOM 0 HE ARG A 22 14.587 -4.391 -0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.848 -3.126 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.323 -2.648 3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.477 -3.774 0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.370 -3.013 2.455 1.00 0.00 H new ATOM 327 N GLU A 23 11.955 -4.203 -3.835 1.00 0.00 N ATOM 328 CA GLU A 23 12.535 -3.261 -4.785 1.00 0.00 C ATOM 329 C GLU A 23 11.774 -3.283 -6.107 1.00 0.00 C ATOM 330 O GLU A 23 11.682 -2.270 -6.800 1.00 0.00 O ATOM 331 CB GLU A 23 14.010 -3.589 -5.027 1.00 0.00 C ATOM 332 CG GLU A 23 14.258 -5.042 -5.396 1.00 0.00 C ATOM 333 CD GLU A 23 15.679 -5.291 -5.860 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.073 -4.719 -6.898 1.00 0.00 O ATOM 335 OE2 GLU A 23 16.398 -6.058 -5.186 1.00 0.00 O ATOM 0 H GLU A 23 12.620 -4.867 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 23 12.458 -2.261 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.389 -2.951 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.579 -3.349 -4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.045 -5.673 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.565 -5.336 -6.185 1.00 0.00 H new ATOM 342 N GLU A 24 11.230 -4.447 -6.451 1.00 0.00 N ATOM 343 CA GLU A 24 10.479 -4.602 -7.691 1.00 0.00 C ATOM 344 C GLU A 24 9.049 -4.093 -7.528 1.00 0.00 C ATOM 345 O GLU A 24 8.536 -3.367 -8.380 1.00 0.00 O ATOM 346 CB GLU A 24 10.463 -6.069 -8.124 1.00 0.00 C ATOM 347 CG GLU A 24 11.836 -6.613 -8.480 1.00 0.00 C ATOM 348 CD GLU A 24 12.271 -6.227 -9.880 1.00 0.00 C ATOM 349 OE1 GLU A 24 11.593 -6.637 -10.846 1.00 0.00 O ATOM 350 OE2 GLU A 24 13.289 -5.516 -10.011 1.00 0.00 O ATOM 0 H GLU A 24 11.296 -5.295 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 24 10.972 -4.009 -8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.040 -6.672 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.804 -6.178 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.567 -6.243 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.826 -7.699 -8.393 1.00 0.00 H new ATOM 357 N ILE A 25 8.412 -4.480 -6.427 1.00 0.00 N ATOM 358 CA ILE A 25 7.043 -4.063 -6.152 1.00 0.00 C ATOM 359 C ILE A 25 6.894 -2.550 -6.272 1.00 0.00 C ATOM 360 O ILE A 25 6.049 -2.055 -7.020 1.00 0.00 O ATOM 361 CB ILE A 25 6.593 -4.501 -4.746 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.645 -6.025 -4.622 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.190 -3.988 -4.455 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.932 -6.508 -3.218 1.00 0.00 C ATOM 0 H ILE A 25 8.822 -5.081 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 25 6.410 -4.548 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 25 7.275 -4.072 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.693 -6.441 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.412 -6.410 -5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.886 -4.306 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.183 -2.899 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.495 -4.391 -5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.954 -7.598 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.897 -6.122 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.152 -6.153 -2.545 1.00 0.00 H new ATOM 376 N LEU A 26 7.721 -1.819 -5.534 1.00 0.00 N ATOM 377 CA LEU A 26 7.684 -0.361 -5.558 1.00 0.00 C ATOM 378 C LEU A 26 7.618 0.158 -6.991 1.00 0.00 C ATOM 379 O LEU A 26 6.729 0.934 -7.339 1.00 0.00 O ATOM 380 CB LEU A 26 8.914 0.212 -4.853 1.00 0.00 C ATOM 381 CG LEU A 26 9.229 1.681 -5.140 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.431 2.589 -4.217 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.721 1.945 -4.992 1.00 0.00 C ATOM 0 H LEU A 26 8.426 -2.212 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 26 6.787 -0.036 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.780 0.093 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.781 -0.386 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 26 8.941 1.900 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.669 3.630 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.365 2.420 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.686 2.369 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.927 2.995 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.033 1.708 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.272 1.321 -5.695 1.00 0.00 H new ATOM 395 N GLU A 27 8.563 -0.278 -7.818 1.00 0.00 N ATOM 396 CA GLU A 27 8.610 0.141 -9.213 1.00 0.00 C ATOM 397 C GLU A 27 7.268 -0.099 -9.899 1.00 0.00 C ATOM 398 O GLU A 27 6.633 0.835 -10.386 1.00 0.00 O ATOM 399 CB GLU A 27 9.717 -0.608 -9.957 1.00 0.00 C ATOM 400 CG GLU A 27 10.329 0.187 -11.099 1.00 0.00 C ATOM 401 CD GLU A 27 10.854 -0.699 -12.212 1.00 0.00 C ATOM 402 OE1 GLU A 27 11.317 -1.819 -11.909 1.00 0.00 O ATOM 403 OE2 GLU A 27 10.801 -0.274 -13.384 1.00 0.00 O ATOM 0 H GLU A 27 9.306 -0.921 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 27 8.825 1.209 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.502 -0.875 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.312 -1.540 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.581 0.868 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.143 0.801 -10.714 1.00 0.00 H new ATOM 410 N GLU A 28 6.845 -1.359 -9.934 1.00 0.00 N ATOM 411 CA GLU A 28 5.580 -1.723 -10.561 1.00 0.00 C ATOM 412 C GLU A 28 4.445 -0.844 -10.045 1.00 0.00 C ATOM 413 O GLU A 28 3.414 -0.695 -10.702 1.00 0.00 O ATOM 414 CB GLU A 28 5.260 -3.196 -10.299 1.00 0.00 C ATOM 415 CG GLU A 28 5.879 -4.143 -11.313 1.00 0.00 C ATOM 416 CD GLU A 28 5.526 -3.779 -12.742 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.355 -3.971 -13.132 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.422 -3.303 -13.470 1.00 0.00 O ATOM 0 H GLU A 28 7.360 -2.144 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 28 5.678 -1.566 -11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.612 -3.464 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.178 -3.330 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.963 -4.136 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.543 -5.159 -11.107 1.00 0.00 H new ATOM 425 N ILE A 29 4.641 -0.266 -8.865 1.00 0.00 N ATOM 426 CA ILE A 29 3.635 0.598 -8.261 1.00 0.00 C ATOM 427 C ILE A 29 3.829 2.049 -8.685 1.00 0.00 C ATOM 428 O ILE A 29 2.862 2.776 -8.911 1.00 0.00 O ATOM 429 CB ILE A 29 3.671 0.515 -6.723 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.137 -0.839 -6.251 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.864 1.651 -6.112 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.862 -1.262 -6.947 1.00 0.00 C ATOM 0 H ILE A 29 5.488 -0.381 -8.308 1.00 0.00 H new ATOM 0 HA ILE A 29 2.665 0.246 -8.613 1.00 0.00 H new ATOM 0 HB ILE A 29 4.705 0.612 -6.393 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.901 -1.599 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.958 -0.795 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.899 1.579 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.285 2.606 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.829 1.583 -6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.542 -2.230 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.083 -0.522 -6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.041 -1.339 -8.019 1.00 0.00 H new ATOM 444 N ALA A 30 5.087 2.465 -8.793 1.00 0.00 N ATOM 445 CA ALA A 30 5.410 3.828 -9.195 1.00 0.00 C ATOM 446 C ALA A 30 4.802 4.159 -10.554 1.00 0.00 C ATOM 447 O ALA A 30 4.763 5.320 -10.963 1.00 0.00 O ATOM 448 CB ALA A 30 6.918 4.027 -9.226 1.00 0.00 C ATOM 0 H ALA A 30 5.899 1.877 -8.607 1.00 0.00 H new ATOM 0 HA ALA A 30 4.981 4.508 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.144 5.050 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.330 3.842 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.362 3.332 -9.938 1.00 0.00 H new ATOM 454 N LYS A 31 4.329 3.131 -11.251 1.00 0.00 N ATOM 455 CA LYS A 31 3.722 3.312 -12.564 1.00 0.00 C ATOM 456 C LYS A 31 2.202 3.211 -12.480 1.00 0.00 C ATOM 457 O LYS A 31 1.484 4.087 -12.963 1.00 0.00 O ATOM 458 CB LYS A 31 4.259 2.267 -13.544 1.00 0.00 C ATOM 459 CG LYS A 31 4.529 0.915 -12.906 1.00 0.00 C ATOM 460 CD LYS A 31 5.119 -0.066 -13.905 1.00 0.00 C ATOM 461 CE LYS A 31 6.637 0.023 -13.943 1.00 0.00 C ATOM 462 NZ LYS A 31 7.181 -0.350 -15.278 1.00 0.00 N ATOM 0 H LYS A 31 4.355 2.164 -10.928 1.00 0.00 H new ATOM 0 HA LYS A 31 3.983 4.307 -12.923 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.542 2.140 -14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.181 2.640 -13.990 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.214 1.038 -12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.601 0.510 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.819 -1.080 -13.641 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.717 0.137 -14.897 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.948 1.038 -13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.059 -0.634 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.218 -0.277 -15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.906 -1.327 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.799 0.293 -16.001 1.00 0.00 H new ATOM 476 N VAL A 32 1.718 2.139 -11.862 1.00 0.00 N ATOM 477 CA VAL A 32 0.283 1.926 -11.712 1.00 0.00 C ATOM 478 C VAL A 32 -0.336 2.979 -10.800 1.00 0.00 C ATOM 479 O VAL A 32 -1.502 3.345 -10.957 1.00 0.00 O ATOM 480 CB VAL A 32 -0.020 0.527 -11.143 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.788 -0.534 -11.874 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.262 0.488 -9.648 1.00 0.00 C ATOM 0 H VAL A 32 2.298 1.404 -11.457 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.155 2.008 -12.707 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.078 0.313 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.560 -1.515 -11.458 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.532 -0.521 -12.933 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.852 -0.327 -11.755 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.043 -0.508 -9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.311 0.723 -9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.366 1.220 -9.140 1.00 0.00 H new ATOM 492 N THR A 33 0.451 3.464 -9.845 1.00 0.00 N ATOM 493 CA THR A 33 -0.020 4.475 -8.906 1.00 0.00 C ATOM 494 C THR A 33 1.005 5.590 -8.740 1.00 0.00 C ATOM 495 O THR A 33 2.093 5.371 -8.208 1.00 0.00 O ATOM 496 CB THR A 33 -0.324 3.862 -7.526 1.00 0.00 C ATOM 497 OG1 THR A 33 0.885 3.384 -6.926 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.321 2.720 -7.649 1.00 0.00 C ATOM 0 H THR A 33 1.418 3.173 -9.701 1.00 0.00 H new ATOM 0 HA THR A 33 -0.939 4.889 -9.321 1.00 0.00 H new ATOM 0 HB THR A 33 -0.760 4.637 -6.896 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.653 3.675 -7.461 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.520 2.303 -6.662 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.250 3.093 -8.079 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.908 1.944 -8.294 1.00 0.00 H new ATOM 506 N GLU A 34 0.650 6.787 -9.197 1.00 0.00 N ATOM 507 CA GLU A 34 1.542 7.937 -9.098 1.00 0.00 C ATOM 508 C GLU A 34 1.356 8.656 -7.765 1.00 0.00 C ATOM 509 O GLU A 34 0.249 9.067 -7.418 1.00 0.00 O ATOM 510 CB GLU A 34 1.288 8.908 -10.253 1.00 0.00 C ATOM 511 CG GLU A 34 1.962 8.498 -11.552 1.00 0.00 C ATOM 512 CD GLU A 34 1.953 9.604 -12.588 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.198 10.770 -12.215 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.700 9.303 -13.774 1.00 0.00 O ATOM 0 H GLU A 34 -0.248 6.986 -9.639 1.00 0.00 H new ATOM 0 HA GLU A 34 2.568 7.575 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.214 8.988 -10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.640 9.899 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.992 8.206 -11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.457 7.621 -11.958 1.00 0.00 H new ATOM 521 N GLY A 35 2.448 8.804 -7.021 1.00 0.00 N ATOM 522 CA GLY A 35 2.385 9.473 -5.735 1.00 0.00 C ATOM 523 C GLY A 35 2.892 8.601 -4.603 1.00 0.00 C ATOM 524 O GLY A 35 2.724 8.935 -3.430 1.00 0.00 O ATOM 0 H GLY A 35 3.375 8.472 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.974 10.389 -5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.355 9.766 -5.531 1.00 0.00 H new ATOM 528 N VAL A 36 3.512 7.479 -4.954 1.00 0.00 N ATOM 529 CA VAL A 36 4.045 6.556 -3.959 1.00 0.00 C ATOM 530 C VAL A 36 5.393 7.034 -3.432 1.00 0.00 C ATOM 531 O VAL A 36 6.137 7.722 -4.132 1.00 0.00 O ATOM 532 CB VAL A 36 4.205 5.138 -4.538 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.089 4.835 -5.526 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.568 4.982 -5.195 1.00 0.00 C ATOM 0 H VAL A 36 3.658 7.187 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 36 3.328 6.526 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 36 4.137 4.421 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.219 3.829 -5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.126 4.903 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.121 5.556 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.664 3.974 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.668 5.707 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.350 5.153 -4.455 1.00 0.00 H new ATOM 544 N LEU A 37 5.703 6.665 -2.194 1.00 0.00 N ATOM 545 CA LEU A 37 6.964 7.055 -1.573 1.00 0.00 C ATOM 546 C LEU A 37 7.893 5.854 -1.427 1.00 0.00 C ATOM 547 O LEU A 37 9.058 5.906 -1.823 1.00 0.00 O ATOM 548 CB LEU A 37 6.706 7.684 -0.202 1.00 0.00 C ATOM 549 CG LEU A 37 7.713 8.742 0.250 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.750 9.900 -0.735 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.372 9.239 1.648 1.00 0.00 C ATOM 0 H LEU A 37 5.099 6.097 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 37 7.447 7.789 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.714 8.136 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.686 6.888 0.543 1.00 0.00 H new ATOM 0 HG LEU A 37 8.702 8.286 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.472 10.643 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.042 9.532 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.762 10.357 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.099 9.991 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.374 9.678 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.398 8.404 2.348 1.00 0.00 H new ATOM 563 N ASP A 38 7.370 4.773 -0.858 1.00 0.00 N ATOM 564 CA ASP A 38 8.152 3.558 -0.663 1.00 0.00 C ATOM 565 C ASP A 38 7.243 2.366 -0.384 1.00 0.00 C ATOM 566 O ASP A 38 6.075 2.531 -0.030 1.00 0.00 O ATOM 567 CB ASP A 38 9.141 3.742 0.489 1.00 0.00 C ATOM 568 CG ASP A 38 10.174 2.634 0.548 1.00 0.00 C ATOM 569 OD1 ASP A 38 10.786 2.336 -0.500 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.372 2.065 1.642 1.00 0.00 O ATOM 0 H ASP A 38 6.408 4.714 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 38 8.707 3.362 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.647 4.701 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.594 3.776 1.431 1.00 0.00 H new ATOM 575 N VAL A 39 7.785 1.163 -0.546 1.00 0.00 N ATOM 576 CA VAL A 39 7.023 -0.058 -0.312 1.00 0.00 C ATOM 577 C VAL A 39 7.615 -0.863 0.839 1.00 0.00 C ATOM 578 O VAL A 39 8.833 -1.002 0.950 1.00 0.00 O ATOM 579 CB VAL A 39 6.977 -0.942 -1.572 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.623 -2.375 -1.207 1.00 0.00 C ATOM 581 CG2 VAL A 39 5.988 -0.380 -2.582 1.00 0.00 C ATOM 0 H VAL A 39 8.750 1.008 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 39 6.009 0.247 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 39 7.966 -0.943 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.595 -2.984 -2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.374 -2.773 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.646 -2.397 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.969 -1.018 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.993 -0.346 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.292 0.627 -2.868 1.00 0.00 H new ATOM 591 N ILE A 40 6.745 -1.391 1.693 1.00 0.00 N ATOM 592 CA ILE A 40 7.182 -2.184 2.836 1.00 0.00 C ATOM 593 C ILE A 40 6.771 -3.644 2.680 1.00 0.00 C ATOM 594 O ILE A 40 5.639 -3.945 2.301 1.00 0.00 O ATOM 595 CB ILE A 40 6.604 -1.637 4.154 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.065 -0.196 4.380 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.019 -2.521 5.321 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.143 0.836 3.769 1.00 0.00 C ATOM 0 H ILE A 40 5.734 -1.284 1.615 1.00 0.00 H new ATOM 0 HA ILE A 40 8.269 -2.117 2.871 1.00 0.00 H new ATOM 0 HB ILE A 40 5.516 -1.644 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.144 -0.012 5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.064 -0.073 3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.603 -2.122 6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.645 -3.533 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.106 -2.543 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.532 1.835 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.083 0.678 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.149 0.740 4.206 1.00 0.00 H new ATOM 806 N PHE A 54 1.734 -10.630 0.069 1.00 0.00 N ATOM 807 CA PHE A 54 1.208 -9.272 0.147 1.00 0.00 C ATOM 808 C PHE A 54 2.335 -8.263 0.343 1.00 0.00 C ATOM 809 O PHE A 54 3.465 -8.632 0.662 1.00 0.00 O ATOM 810 CB PHE A 54 0.201 -9.158 1.293 1.00 0.00 C ATOM 811 CG PHE A 54 0.113 -7.778 1.879 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.121 -7.293 2.697 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.976 -6.965 1.612 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.043 -6.024 3.238 1.00 0.00 C ATOM 815 CE2 PHE A 54 -1.060 -5.695 2.150 1.00 0.00 C ATOM 816 CZ PHE A 54 -0.049 -5.223 2.963 1.00 0.00 C ATOM 0 HA PHE A 54 0.704 -9.049 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.784 -9.454 0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.476 -9.861 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.977 -7.914 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.769 -7.328 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.835 -5.658 3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.916 -5.072 1.935 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.111 -4.230 3.383 1.00 0.00 H new ATOM 826 N ALA A 55 2.019 -6.987 0.150 1.00 0.00 N ATOM 827 CA ALA A 55 3.004 -5.923 0.306 1.00 0.00 C ATOM 828 C ALA A 55 2.334 -4.607 0.687 1.00 0.00 C ATOM 829 O ALA A 55 1.148 -4.405 0.428 1.00 0.00 O ATOM 830 CB ALA A 55 3.810 -5.758 -0.974 1.00 0.00 C ATOM 0 H ALA A 55 1.088 -6.664 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 55 3.681 -6.203 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.541 -4.960 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.327 -6.690 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.140 -5.505 -1.796 1.00 0.00 H new ATOM 836 N PHE A 56 3.103 -3.714 1.302 1.00 0.00 N ATOM 837 CA PHE A 56 2.583 -2.417 1.720 1.00 0.00 C ATOM 838 C PHE A 56 3.106 -1.305 0.815 1.00 0.00 C ATOM 839 O PHE A 56 4.275 -1.301 0.429 1.00 0.00 O ATOM 840 CB PHE A 56 2.970 -2.133 3.172 1.00 0.00 C ATOM 841 CG PHE A 56 1.958 -2.620 4.169 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.676 -2.095 4.187 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.288 -3.603 5.088 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.259 -2.542 5.103 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.358 -4.054 6.005 1.00 0.00 C ATOM 846 CZ PHE A 56 0.083 -3.522 6.014 1.00 0.00 C ATOM 0 H PHE A 56 4.088 -3.865 1.522 1.00 0.00 H new ATOM 0 HA PHE A 56 1.496 -2.446 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.931 -2.603 3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.106 -1.059 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.404 -1.328 3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.284 -4.022 5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.255 -2.125 5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.628 -4.822 6.715 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.644 -3.872 6.732 1.00 0.00 H new ATOM 856 N VAL A 57 2.231 -0.362 0.480 1.00 0.00 N ATOM 857 CA VAL A 57 2.603 0.756 -0.378 1.00 0.00 C ATOM 858 C VAL A 57 2.343 2.090 0.313 1.00 0.00 C ATOM 859 O VAL A 57 1.194 2.488 0.502 1.00 0.00 O ATOM 860 CB VAL A 57 1.831 0.722 -1.711 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.467 1.664 -2.721 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.772 -0.697 -2.256 1.00 0.00 C ATOM 0 H VAL A 57 1.259 -0.350 0.790 1.00 0.00 H new ATOM 0 HA VAL A 57 3.669 0.657 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 57 0.811 1.059 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.908 1.626 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.451 2.681 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.498 1.361 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.223 -0.703 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.784 -1.065 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.266 -1.342 -1.538 1.00 0.00 H new ATOM 872 N GLU A 58 3.418 2.776 0.688 1.00 0.00 N ATOM 873 CA GLU A 58 3.305 4.065 1.359 1.00 0.00 C ATOM 874 C GLU A 58 3.198 5.199 0.343 1.00 0.00 C ATOM 875 O GLU A 58 3.920 5.225 -0.653 1.00 0.00 O ATOM 876 CB GLU A 58 4.510 4.297 2.272 1.00 0.00 C ATOM 877 CG GLU A 58 4.218 5.220 3.444 1.00 0.00 C ATOM 878 CD GLU A 58 5.437 6.005 3.887 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.291 6.307 3.027 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.537 6.316 5.092 1.00 0.00 O ATOM 0 H GLU A 58 4.376 2.461 0.538 1.00 0.00 H new ATOM 0 HA GLU A 58 2.398 4.053 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.856 3.337 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.325 4.718 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.425 5.914 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.846 4.630 4.282 1.00 0.00 H new ATOM 887 N TYR A 59 2.291 6.134 0.604 1.00 0.00 N ATOM 888 CA TYR A 59 2.086 7.270 -0.288 1.00 0.00 C ATOM 889 C TYR A 59 2.278 8.588 0.455 1.00 0.00 C ATOM 890 O TYR A 59 1.686 8.809 1.511 1.00 0.00 O ATOM 891 CB TYR A 59 0.685 7.216 -0.902 1.00 0.00 C ATOM 892 CG TYR A 59 0.474 6.040 -1.827 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.175 4.780 -1.324 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.572 6.188 -3.205 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.018 3.702 -2.166 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.379 5.116 -4.055 1.00 0.00 C ATOM 897 CZ TYR A 59 0.085 3.875 -3.530 1.00 0.00 C ATOM 898 OH TYR A 59 -0.108 2.804 -4.373 1.00 0.00 O ATOM 0 H TYR A 59 1.686 6.128 1.425 1.00 0.00 H new ATOM 0 HA TYR A 59 2.827 7.213 -1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.052 7.174 -0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.504 8.138 -1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.092 4.641 -0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.803 7.158 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.248 2.729 -1.758 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.458 5.249 -5.124 1.00 0.00 H new ATOM 0 HH TYR A 59 0.366 2.962 -5.216 1.00 0.00 H new ATOM 908 N GLU A 60 3.110 9.460 -0.106 1.00 0.00 N ATOM 909 CA GLU A 60 3.380 10.757 0.504 1.00 0.00 C ATOM 910 C GLU A 60 2.087 11.537 0.720 1.00 0.00 C ATOM 911 O GLU A 60 1.839 12.061 1.806 1.00 0.00 O ATOM 912 CB GLU A 60 4.338 11.567 -0.373 1.00 0.00 C ATOM 913 CG GLU A 60 3.831 11.784 -1.789 1.00 0.00 C ATOM 914 CD GLU A 60 4.826 12.528 -2.657 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.825 11.910 -3.079 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.605 13.730 -2.916 1.00 0.00 O ATOM 0 H GLU A 60 3.608 9.292 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 60 3.845 10.584 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.513 12.536 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.300 11.055 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.609 10.818 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.896 12.343 -1.754 1.00 0.00 H new ATOM 923 N SER A 61 1.266 11.611 -0.323 1.00 0.00 N ATOM 924 CA SER A 61 0.000 12.331 -0.250 1.00 0.00 C ATOM 925 C SER A 61 -1.116 11.418 0.248 1.00 0.00 C ATOM 926 O SER A 61 -1.486 10.450 -0.418 1.00 0.00 O ATOM 927 CB SER A 61 -0.366 12.902 -1.622 1.00 0.00 C ATOM 928 OG SER A 61 0.305 14.127 -1.860 1.00 0.00 O ATOM 0 H SER A 61 1.455 11.181 -1.228 1.00 0.00 H new ATOM 0 HA SER A 61 0.117 13.152 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.105 12.184 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.443 13.057 -1.679 1.00 0.00 H new ATOM 0 HG SER A 61 0.056 14.470 -2.743 1.00 0.00 H new ATOM 934 N HIS A 62 -1.649 11.733 1.424 1.00 0.00 N ATOM 935 CA HIS A 62 -2.723 10.942 2.013 1.00 0.00 C ATOM 936 C HIS A 62 -3.758 10.561 0.959 1.00 0.00 C ATOM 937 O HIS A 62 -4.390 9.508 1.048 1.00 0.00 O ATOM 938 CB HIS A 62 -3.396 11.719 3.146 1.00 0.00 C ATOM 939 CG HIS A 62 -4.294 10.878 3.999 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.224 10.003 3.478 1.00 0.00 N ATOM 941 CD2 HIS A 62 -4.399 10.779 5.345 1.00 0.00 C ATOM 942 CE1 HIS A 62 -5.864 9.404 4.466 1.00 0.00 C ATOM 943 NE2 HIS A 62 -5.382 9.857 5.610 1.00 0.00 N ATOM 0 H HIS A 62 -1.355 12.530 1.988 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.287 10.028 2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.627 12.167 3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.976 12.537 2.720 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.391 9.843 2.485 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.818 11.324 6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.648 8.669 4.357 1.00 0.00 H new ATOM 951 N ARG A 63 -3.925 11.423 -0.039 1.00 0.00 N ATOM 952 CA ARG A 63 -4.884 11.177 -1.109 1.00 0.00 C ATOM 953 C ARG A 63 -4.285 10.267 -2.177 1.00 0.00 C ATOM 954 O ARG A 63 -4.970 9.407 -2.730 1.00 0.00 O ATOM 955 CB ARG A 63 -5.327 12.499 -1.739 1.00 0.00 C ATOM 956 CG ARG A 63 -6.266 12.325 -2.922 1.00 0.00 C ATOM 957 CD ARG A 63 -7.710 12.172 -2.469 1.00 0.00 C ATOM 958 NE ARG A 63 -8.216 13.386 -1.834 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.502 13.601 -1.581 1.00 0.00 C ATOM 960 NH1 ARG A 63 -10.407 12.689 -1.906 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.885 14.731 -1.000 1.00 0.00 N ATOM 0 H ARG A 63 -3.408 12.298 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.752 10.679 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.821 13.106 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.445 13.051 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.181 13.186 -3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.969 11.448 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.335 11.924 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.784 11.339 -1.770 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.545 14.108 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.117 11.819 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.394 12.857 -1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.192 15.435 -0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.873 14.895 -0.806 1.00 0.00 H new ATOM 975 N ALA A 64 -3.002 10.463 -2.463 1.00 0.00 N ATOM 976 CA ALA A 64 -2.310 9.660 -3.463 1.00 0.00 C ATOM 977 C ALA A 64 -2.624 8.178 -3.289 1.00 0.00 C ATOM 978 O ALA A 64 -2.582 7.408 -4.249 1.00 0.00 O ATOM 979 CB ALA A 64 -0.809 9.896 -3.384 1.00 0.00 C ATOM 0 H ALA A 64 -2.421 11.172 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.663 9.967 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.305 9.290 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.596 10.950 -3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.449 9.618 -2.394 1.00 0.00 H new ATOM 985 N ALA A 65 -2.937 7.784 -2.059 1.00 0.00 N ATOM 986 CA ALA A 65 -3.259 6.394 -1.760 1.00 0.00 C ATOM 987 C ALA A 65 -4.761 6.146 -1.854 1.00 0.00 C ATOM 988 O ALA A 65 -5.198 5.087 -2.302 1.00 0.00 O ATOM 989 CB ALA A 65 -2.745 6.019 -0.379 1.00 0.00 C ATOM 0 H ALA A 65 -2.974 8.408 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.767 5.765 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.992 4.978 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.663 6.149 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.210 6.661 0.369 1.00 0.00 H new ATOM 995 N ALA A 66 -5.546 7.130 -1.427 1.00 0.00 N ATOM 996 CA ALA A 66 -6.999 7.018 -1.464 1.00 0.00 C ATOM 997 C ALA A 66 -7.507 6.935 -2.899 1.00 0.00 C ATOM 998 O ALA A 66 -8.432 6.180 -3.198 1.00 0.00 O ATOM 999 CB ALA A 66 -7.637 8.197 -0.743 1.00 0.00 C ATOM 0 H ALA A 66 -5.200 8.013 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.281 6.097 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.722 8.101 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.307 8.210 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.339 9.126 -1.230 1.00 0.00 H new ATOM 1005 N MET A 67 -6.897 7.717 -3.784 1.00 0.00 N ATOM 1006 CA MET A 67 -7.288 7.731 -5.189 1.00 0.00 C ATOM 1007 C MET A 67 -6.506 6.688 -5.981 1.00 0.00 C ATOM 1008 O MET A 67 -6.846 6.379 -7.123 1.00 0.00 O ATOM 1009 CB MET A 67 -7.062 9.119 -5.790 1.00 0.00 C ATOM 1010 CG MET A 67 -5.608 9.563 -5.765 1.00 0.00 C ATOM 1011 SD MET A 67 -5.207 10.704 -7.102 1.00 0.00 S ATOM 1012 CE MET A 67 -3.419 10.602 -7.109 1.00 0.00 C ATOM 0 H MET A 67 -6.130 8.349 -3.553 1.00 0.00 H new ATOM 0 HA MET A 67 -8.349 7.486 -5.247 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.416 9.122 -6.821 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.664 9.845 -5.244 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.394 10.041 -4.809 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.963 8.687 -5.835 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.053 10.707 -8.130 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.007 11.400 -6.492 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.108 9.637 -6.709 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.457 6.149 -5.368 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.628 5.140 -6.016 1.00 0.00 C ATOM 1024 C ALA A 68 -5.253 3.755 -5.892 1.00 0.00 C ATOM 1025 O ALA A 68 -4.905 2.838 -6.636 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.228 5.145 -5.420 1.00 0.00 C ATOM 0 H ALA A 68 -5.161 6.394 -4.423 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.560 5.386 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.620 4.387 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.774 6.125 -5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.286 4.927 -4.354 1.00 0.00 H new ATOM 1032 N ARG A 69 -6.176 3.609 -4.947 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.848 2.334 -4.725 1.00 0.00 C ATOM 1034 C ARG A 69 -8.000 2.148 -5.709 1.00 0.00 C ATOM 1035 O ARG A 69 -8.257 1.038 -6.175 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.371 2.252 -3.290 1.00 0.00 C ATOM 1037 CG ARG A 69 -8.229 3.440 -2.885 1.00 0.00 C ATOM 1038 CD ARG A 69 -9.277 3.046 -1.856 1.00 0.00 C ATOM 1039 NE ARG A 69 -10.486 3.857 -1.968 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.631 5.043 -1.387 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -9.648 5.553 -0.658 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.762 5.722 -1.535 1.00 0.00 N ATOM 0 H ARG A 69 -6.476 4.358 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.123 1.537 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.954 1.338 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.524 2.177 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.594 4.226 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.720 3.853 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.533 1.994 -1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.860 3.153 -0.855 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.261 3.493 -2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.777 5.035 -0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.762 6.464 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.521 5.333 -2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.872 6.632 -1.089 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.689 3.241 -6.019 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.814 3.198 -6.945 1.00 0.00 C ATOM 1058 C ARG A 70 -9.346 2.831 -8.351 1.00 0.00 C ATOM 1059 O ARG A 70 -10.159 2.594 -9.245 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.532 4.548 -6.972 1.00 0.00 C ATOM 1061 CG ARG A 70 -9.934 5.538 -7.958 1.00 0.00 C ATOM 1062 CD ARG A 70 -10.784 6.793 -8.072 1.00 0.00 C ATOM 1063 NE ARG A 70 -11.977 6.575 -8.886 1.00 0.00 N ATOM 1064 CZ ARG A 70 -11.960 6.515 -10.213 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -10.819 6.657 -10.872 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -13.088 6.313 -10.883 1.00 0.00 N ATOM 0 H ARG A 70 -8.488 4.167 -5.642 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.508 2.432 -6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.580 4.387 -7.223 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.507 4.983 -5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.927 5.807 -7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.844 5.068 -8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.080 7.122 -7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.189 7.595 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.872 6.463 -8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.951 6.813 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.809 6.610 -11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.968 6.204 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.075 6.267 -11.902 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.032 2.786 -8.539 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.455 2.447 -9.834 1.00 0.00 C ATOM 1082 C LYS A 71 -7.100 0.965 -9.902 1.00 0.00 C ATOM 1083 O LYS A 71 -6.940 0.404 -10.986 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.207 3.294 -10.097 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.706 3.211 -11.528 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.395 3.959 -11.704 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.572 3.380 -12.845 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.579 4.360 -13.365 1.00 0.00 N ATOM 0 H LYS A 71 -7.346 2.980 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.200 2.659 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.427 4.334 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.412 2.974 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.570 2.166 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.456 3.626 -12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.599 5.012 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.821 3.911 -10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.053 2.485 -12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.236 3.073 -13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.258 4.062 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.020 5.300 -13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.764 4.404 -12.720 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.980 0.337 -8.737 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.646 -1.081 -8.664 1.00 0.00 C ATOM 1104 C LEU A 72 -7.698 -1.848 -7.868 1.00 0.00 C ATOM 1105 O LEU A 72 -7.554 -3.045 -7.625 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.270 -1.268 -8.024 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.233 -0.187 -8.334 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -3.168 -0.144 -7.249 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.600 -0.430 -9.696 1.00 0.00 C ATOM 0 H LEU A 72 -7.109 0.787 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.625 -1.477 -9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.398 -1.321 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.870 -2.230 -8.345 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.738 0.779 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.439 0.631 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.635 0.078 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.666 -1.110 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.865 0.349 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.109 -1.403 -9.701 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.372 -0.410 -10.465 1.00 0.00 H new ATOM 1121 N MET A 73 -8.755 -1.149 -7.468 1.00 0.00 N ATOM 1122 CA MET A 73 -9.833 -1.766 -6.703 1.00 0.00 C ATOM 1123 C MET A 73 -10.569 -2.806 -7.542 1.00 0.00 C ATOM 1124 O MET A 73 -10.748 -3.954 -7.133 1.00 0.00 O ATOM 1125 CB MET A 73 -10.816 -0.699 -6.215 1.00 0.00 C ATOM 1126 CG MET A 73 -11.378 -0.979 -4.831 1.00 0.00 C ATOM 1127 SD MET A 73 -12.258 -2.550 -4.742 1.00 0.00 S ATOM 1128 CE MET A 73 -11.032 -3.580 -3.939 1.00 0.00 C ATOM 0 H MET A 73 -8.888 -0.156 -7.660 1.00 0.00 H new ATOM 0 HA MET A 73 -9.393 -2.266 -5.840 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.314 0.269 -6.206 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.640 -0.624 -6.925 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.564 -0.982 -4.106 1.00 0.00 H new ATOM 0 HG3 MET A 73 -12.054 -0.172 -4.548 1.00 0.00 H new ATOM 0 HE1 MET A 73 -10.908 -4.505 -4.503 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.081 -3.049 -3.899 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.360 -3.814 -2.926 1.00 0.00 H new ATOM 1138 N PRO A 74 -11.005 -2.399 -8.743 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.728 -3.281 -9.663 1.00 0.00 C ATOM 1140 C PRO A 74 -10.832 -4.368 -10.248 1.00 0.00 C ATOM 1141 O PRO A 74 -11.290 -5.223 -11.005 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.205 -2.331 -10.764 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.238 -1.199 -10.733 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.826 -1.046 -9.295 1.00 0.00 C ATOM 0 HA PRO A 74 -12.536 -3.817 -9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.208 -2.822 -11.737 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.222 -1.988 -10.577 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.375 -1.405 -11.366 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.697 -0.284 -11.107 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.793 -0.709 -9.207 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.445 -0.315 -8.775 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.551 -4.328 -9.893 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.612 -5.315 -10.392 1.00 0.00 C ATOM 1154 C GLY A 75 -8.302 -5.128 -11.864 1.00 0.00 C ATOM 1155 O GLY A 75 -7.870 -6.064 -12.537 1.00 0.00 O ATOM 0 H GLY A 75 -9.147 -3.630 -9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.687 -5.254 -9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.020 -6.313 -10.234 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.525 -3.918 -12.365 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.270 -3.612 -13.767 1.00 0.00 C ATOM 1161 C ARG A 76 -6.790 -3.781 -14.100 1.00 0.00 C ATOM 1162 O ARG A 76 -6.435 -4.195 -15.204 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.717 -2.186 -14.090 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.223 -2.036 -14.231 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.590 -0.748 -14.952 1.00 0.00 C ATOM 1166 NE ARG A 76 -10.691 0.383 -14.033 1.00 0.00 N ATOM 1167 CZ ARG A 76 -9.648 1.109 -13.645 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -8.434 0.824 -14.093 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -9.820 2.124 -12.807 1.00 0.00 N ATOM 0 H ARG A 76 -8.882 -3.133 -11.820 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.844 -4.311 -14.375 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.366 -1.518 -13.304 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.240 -1.866 -15.017 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.625 -2.888 -14.779 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.685 -2.046 -13.244 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.840 -0.532 -15.712 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.540 -0.880 -15.470 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.612 0.629 -13.670 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.298 0.045 -14.738 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.635 1.383 -13.793 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.753 2.347 -12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.019 2.681 -12.509 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.933 -3.458 -13.138 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.492 -3.574 -13.329 1.00 0.00 C ATOM 1185 C ILE A 77 -3.944 -4.816 -12.634 1.00 0.00 C ATOM 1186 O ILE A 77 -4.455 -5.234 -11.596 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.752 -2.333 -12.796 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.002 -1.131 -13.710 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.261 -2.615 -12.679 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.209 -0.311 -13.313 1.00 0.00 C ATOM 0 H ILE A 77 -6.211 -3.114 -12.219 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.321 -3.656 -14.402 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.137 -2.097 -11.804 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.120 -0.491 -13.704 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.133 -1.484 -14.733 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.752 -1.729 -12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.101 -3.446 -11.992 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.861 -2.873 -13.660 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.325 0.524 -14.004 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.101 -0.937 -13.346 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.072 0.072 -12.302 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.901 -5.400 -13.215 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.283 -6.594 -12.651 1.00 0.00 C ATOM 1204 C GLN A 78 -0.777 -6.407 -12.497 1.00 0.00 C ATOM 1205 O GLN A 78 -0.150 -5.674 -13.264 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.570 -7.809 -13.535 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.052 -8.094 -13.714 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.311 -9.349 -14.525 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -3.799 -9.503 -15.634 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -5.110 -10.256 -13.973 1.00 0.00 N ATOM 0 H GLN A 78 -2.467 -5.066 -14.075 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.713 -6.762 -11.664 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.118 -7.650 -14.514 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.090 -8.686 -13.100 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.519 -8.196 -12.735 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.525 -7.244 -14.206 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.513 -10.087 -13.051 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.320 -11.121 -14.471 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.202 -7.073 -11.502 1.00 0.00 N ATOM 1220 CA LEU A 79 1.231 -6.979 -11.247 1.00 0.00 C ATOM 1221 C LEU A 79 1.955 -8.228 -11.741 1.00 0.00 C ATOM 1222 O LEU A 79 1.768 -9.319 -11.203 1.00 0.00 O ATOM 1223 CB LEU A 79 1.492 -6.783 -9.752 1.00 0.00 C ATOM 1224 CG LEU A 79 1.128 -5.412 -9.182 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.601 -5.290 -7.742 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.726 -4.303 -10.037 1.00 0.00 C ATOM 0 H LEU A 79 -0.706 -7.684 -10.859 1.00 0.00 H new ATOM 0 HA LEU A 79 1.616 -6.118 -11.793 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.934 -7.542 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.550 -6.965 -9.561 1.00 0.00 H new ATOM 0 HG LEU A 79 0.043 -5.310 -9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.333 -4.308 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.126 -6.062 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.683 -5.413 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.457 -3.334 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.811 -4.402 -10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.339 -4.378 -11.053 1.00 0.00 H new ATOM 1238 N TRP A 80 2.782 -8.059 -12.766 1.00 0.00 N ATOM 1239 CA TRP A 80 3.535 -9.173 -13.331 1.00 0.00 C ATOM 1240 C TRP A 80 2.598 -10.263 -13.838 1.00 0.00 C ATOM 1241 O TRP A 80 2.883 -11.452 -13.703 1.00 0.00 O ATOM 1242 CB TRP A 80 4.492 -9.750 -12.287 1.00 0.00 C ATOM 1243 CG TRP A 80 5.353 -8.713 -11.632 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.400 -8.041 -12.196 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.241 -8.230 -10.289 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.946 -7.170 -11.284 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.252 -7.266 -10.107 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.384 -8.516 -9.223 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.428 -6.591 -8.902 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.560 -7.845 -8.028 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.575 -6.891 -7.876 1.00 0.00 C ATOM 0 H TRP A 80 2.948 -7.162 -13.223 1.00 0.00 H new ATOM 0 HA TRP A 80 4.113 -8.797 -14.175 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.914 -10.268 -11.522 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.131 -10.495 -12.762 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.748 -8.175 -13.210 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.739 -6.552 -11.456 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.598 -9.249 -9.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.211 -5.856 -8.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.904 -8.059 -7.197 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.686 -6.382 -6.930 1.00 0.00 H new ATOM 1262 N GLY A 81 1.476 -9.850 -14.421 1.00 0.00 N ATOM 1263 CA GLY A 81 0.514 -10.805 -14.939 1.00 0.00 C ATOM 1264 C GLY A 81 -0.281 -11.481 -13.839 1.00 0.00 C ATOM 1265 O GLY A 81 -1.098 -12.363 -14.106 1.00 0.00 O ATOM 0 H GLY A 81 1.217 -8.871 -14.544 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.170 -10.295 -15.617 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.037 -11.562 -15.523 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.042 -11.068 -12.599 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.742 -11.640 -11.454 1.00 0.00 C ATOM 1271 C HIS A 82 -1.786 -10.668 -10.913 1.00 0.00 C ATOM 1272 O HIS A 82 -1.506 -9.484 -10.727 1.00 0.00 O ATOM 1273 CB HIS A 82 0.253 -12.004 -10.351 1.00 0.00 C ATOM 1274 CG HIS A 82 1.195 -13.103 -10.733 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.639 -13.507 -11.946 1.00 0.00 N flip ATOM 1276 CD2 HIS A 82 1.796 -13.934 -9.811 1.00 0.00 C flip ATOM 1277 CE1 HIS A 82 2.492 -14.563 -11.737 1.00 0.00 C flip ATOM 1278 NE2 HIS A 82 2.569 -14.800 -10.440 1.00 0.00 N flip ATOM 0 H HIS A 82 0.631 -10.339 -12.361 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.252 -12.544 -11.786 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.830 -11.118 -10.087 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.299 -12.303 -9.460 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.656 -13.884 -8.741 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.015 -15.110 -12.508 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.130 -15.529 -9.999 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.989 -11.176 -10.665 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.074 -10.351 -10.148 1.00 0.00 C ATOM 1288 C GLN A 83 -3.713 -9.769 -8.785 1.00 0.00 C ATOM 1289 O GLN A 83 -3.095 -10.439 -7.957 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.360 -11.172 -10.041 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.542 -10.384 -9.499 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.875 -10.944 -9.954 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -8.078 -11.210 -11.139 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -8.793 -11.127 -9.012 1.00 0.00 N ATOM 0 H GLN A 83 -3.237 -12.154 -10.814 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.234 -9.527 -10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.615 -11.562 -11.026 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.180 -12.031 -9.395 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.505 -10.384 -8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.460 -9.346 -9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.582 -10.893 -8.042 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.709 -11.502 -9.259 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.104 -8.519 -8.559 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.822 -7.848 -7.296 1.00 0.00 C ATOM 1305 C ILE A 84 -5.044 -7.089 -6.792 1.00 0.00 C ATOM 1306 O ILE A 84 -5.908 -6.694 -7.574 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.642 -6.867 -7.431 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.877 -5.910 -8.601 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.338 -7.629 -7.616 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.645 -4.665 -8.218 1.00 0.00 C ATOM 0 H ILE A 84 -4.617 -7.951 -9.234 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.558 -8.625 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.570 -6.280 -6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.914 -5.618 -9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.421 -6.435 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.514 -6.922 -7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.167 -8.273 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.398 -8.239 -8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.775 -4.033 -9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.622 -4.947 -7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.092 -4.117 -7.455 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.110 -6.887 -5.480 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.224 -6.171 -4.872 1.00 0.00 C ATOM 1324 C ALA A 85 -5.728 -5.057 -3.957 1.00 0.00 C ATOM 1325 O ALA A 85 -4.698 -5.194 -3.297 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.111 -7.136 -4.098 1.00 0.00 C ATOM 0 H ALA A 85 -4.404 -7.210 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.810 -5.715 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.939 -6.588 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.503 -7.894 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.527 -7.618 -3.314 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.466 -3.952 -3.925 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.100 -2.813 -3.091 1.00 0.00 C ATOM 1334 C VAL A 86 -7.183 -2.518 -2.058 1.00 0.00 C ATOM 1335 O VAL A 86 -8.349 -2.327 -2.404 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.858 -1.551 -3.940 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.568 -1.681 -4.735 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.040 -1.295 -4.863 1.00 0.00 C ATOM 0 H VAL A 86 -7.320 -3.821 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.176 -3.080 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.758 -0.697 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.414 -0.780 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.730 -1.812 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.634 -2.545 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.852 -0.400 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.174 -2.148 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.942 -1.153 -4.268 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.789 -2.481 -0.790 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.725 -2.207 0.294 1.00 0.00 C ATOM 1350 C ASP A 87 -7.095 -1.289 1.336 1.00 0.00 C ATOM 1351 O ASP A 87 -5.879 -1.100 1.358 1.00 0.00 O ATOM 1352 CB ASP A 87 -8.173 -3.513 0.951 1.00 0.00 C ATOM 1353 CG ASP A 87 -9.285 -3.302 1.960 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -10.377 -2.855 1.553 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -9.062 -3.583 3.156 1.00 0.00 O ATOM 0 H ASP A 87 -5.828 -2.637 -0.487 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.595 -1.704 -0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.512 -4.206 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.321 -3.978 1.446 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.931 -0.720 2.197 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.456 0.180 3.242 1.00 0.00 C ATOM 1362 C TRP A 88 -6.650 -0.579 4.290 1.00 0.00 C ATOM 1363 O TRP A 88 -7.116 -1.575 4.843 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.636 0.892 3.906 1.00 0.00 C ATOM 1365 CG TRP A 88 -8.988 2.194 3.252 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.222 2.585 2.817 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.096 3.274 2.958 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.151 3.844 2.270 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -8.858 4.289 2.345 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -6.729 3.485 3.155 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.295 5.492 1.928 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.172 4.679 2.740 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -6.954 5.671 2.133 1.00 0.00 C ATOM 0 H TRP A 88 -8.941 -0.866 2.192 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.806 0.923 2.779 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.506 0.236 3.884 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.399 1.073 4.954 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.122 1.992 2.892 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.934 4.363 1.873 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.118 2.728 3.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.896 6.257 1.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.116 4.851 2.886 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.489 6.595 1.821 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.439 -0.103 4.559 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.570 -0.737 5.542 1.00 0.00 C ATOM 1386 C ALA A 89 -5.064 -0.476 6.961 1.00 0.00 C ATOM 1387 O ALA A 89 -5.285 -1.409 7.732 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.140 -0.241 5.380 1.00 0.00 C ATOM 0 H ALA A 89 -5.037 0.720 4.110 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.592 -1.813 5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.502 -0.723 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.782 -0.484 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.111 0.839 5.524 1.00 0.00 H new