USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=9 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 18:sc= 1.61 USER MOD Set 1.2: A 59 TYR OH : rot -147:sc= 1 USER MOD Set 2.1: A 9 CYS SG : rot 116:sc= -1.02 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.0374 K(o=-0.98,f=-3.5) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -134:sc= 0 (180deg=-0.0955) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0.56 (180deg=0.545) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -129:sc= -0.982 (180deg=-2.94!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 170:sc= 0 (180deg=-0.219) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -143:sc= -0.886 (180deg=-1.34) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 82 HIS : no HD1:sc= -2.75! C(o=-2.7!,f=-2.8!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 0.277 7.096 5.473 1.00 0.00 N ATOM 81 CA CYS A 9 -0.696 6.491 4.569 1.00 0.00 C ATOM 82 C CYS A 9 -0.083 5.311 3.823 1.00 0.00 C ATOM 83 O CYS A 9 1.001 5.421 3.249 1.00 0.00 O ATOM 84 CB CYS A 9 -1.210 7.530 3.571 1.00 0.00 C ATOM 85 SG CYS A 9 -2.807 7.115 2.832 1.00 0.00 S ATOM 0 HA CYS A 9 -1.532 6.126 5.165 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.294 8.492 4.076 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.474 7.650 2.776 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.691 8.001 3.184 1.00 0.00 H new ATOM 91 N ARG A 10 -0.783 4.181 3.836 1.00 0.00 N ATOM 92 CA ARG A 10 -0.307 2.979 3.163 1.00 0.00 C ATOM 93 C ARG A 10 -1.471 2.190 2.572 1.00 0.00 C ATOM 94 O ARG A 10 -2.548 2.112 3.166 1.00 0.00 O ATOM 95 CB ARG A 10 0.477 2.099 4.139 1.00 0.00 C ATOM 96 CG ARG A 10 1.911 2.555 4.353 1.00 0.00 C ATOM 97 CD ARG A 10 2.609 1.718 5.413 1.00 0.00 C ATOM 98 NE ARG A 10 2.178 2.073 6.763 1.00 0.00 N ATOM 99 CZ ARG A 10 2.699 3.076 7.461 1.00 0.00 C ATOM 100 NH1 ARG A 10 3.666 3.819 6.939 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.253 3.337 8.683 1.00 0.00 N ATOM 0 H ARG A 10 -1.682 4.073 4.306 1.00 0.00 H new ATOM 0 HA ARG A 10 0.352 3.284 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.039 2.087 5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.482 1.074 3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.460 2.486 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.920 3.603 4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.405 0.662 5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.687 1.853 5.330 1.00 0.00 H new ATOM 0 HE ARG A 10 1.436 1.520 7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.011 3.621 6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.065 4.589 7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.510 2.767 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.654 4.107 9.218 1.00 0.00 H new ATOM 115 N LEU A 11 -1.249 1.606 1.399 1.00 0.00 N ATOM 116 CA LEU A 11 -2.280 0.823 0.727 1.00 0.00 C ATOM 117 C LEU A 11 -2.025 -0.672 0.897 1.00 0.00 C ATOM 118 O LEU A 11 -0.881 -1.125 0.862 1.00 0.00 O ATOM 119 CB LEU A 11 -2.328 1.177 -0.761 1.00 0.00 C ATOM 120 CG LEU A 11 -2.803 2.591 -1.099 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.884 2.780 -2.605 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.152 2.869 -0.451 1.00 0.00 C ATOM 0 H LEU A 11 -0.364 1.660 0.894 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.240 1.064 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.331 1.041 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.984 0.465 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.078 3.302 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.224 3.792 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.899 2.623 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.587 2.061 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.475 3.879 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.886 2.152 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.062 2.775 0.631 1.00 0.00 H new ATOM 134 N PHE A 12 -3.100 -1.432 1.079 1.00 0.00 N ATOM 135 CA PHE A 12 -2.993 -2.876 1.254 1.00 0.00 C ATOM 136 C PHE A 12 -3.026 -3.591 -0.094 1.00 0.00 C ATOM 137 O PHE A 12 -4.088 -3.757 -0.695 1.00 0.00 O ATOM 138 CB PHE A 12 -4.128 -3.389 2.143 1.00 0.00 C ATOM 139 CG PHE A 12 -4.097 -4.875 2.358 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.633 -5.736 1.414 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.531 -5.411 3.503 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.607 -7.104 1.609 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.501 -6.778 3.704 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.039 -7.626 2.755 1.00 0.00 C ATOM 0 H PHE A 12 -4.054 -1.073 1.109 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.039 -3.089 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.075 -2.889 3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.083 -3.115 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.076 -5.333 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.108 -4.753 4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.030 -7.764 0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.058 -7.183 4.602 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.016 -8.695 2.909 1.00 0.00 H new ATOM 154 N ILE A 13 -1.856 -4.010 -0.563 1.00 0.00 N ATOM 155 CA ILE A 13 -1.750 -4.707 -1.839 1.00 0.00 C ATOM 156 C ILE A 13 -1.595 -6.210 -1.633 1.00 0.00 C ATOM 157 O ILE A 13 -0.572 -6.677 -1.134 1.00 0.00 O ATOM 158 CB ILE A 13 -0.559 -4.188 -2.666 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.525 -2.658 -2.649 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.640 -4.706 -4.094 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.774 -2.021 -3.217 1.00 0.00 C ATOM 0 H ILE A 13 -0.968 -3.879 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.673 -4.511 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 13 0.363 -4.557 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.387 -2.317 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.339 -2.315 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.209 -4.331 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.620 -5.796 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.567 -4.363 -4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.681 -0.936 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.902 -2.333 -4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.640 -2.335 -2.634 1.00 0.00 H new ATOM 173 N GLY A 14 -2.619 -6.963 -2.023 1.00 0.00 N ATOM 174 CA GLY A 14 -2.577 -8.406 -1.876 1.00 0.00 C ATOM 175 C GLY A 14 -2.798 -9.130 -3.189 1.00 0.00 C ATOM 176 O GLY A 14 -3.432 -8.599 -4.100 1.00 0.00 O ATOM 0 H GLY A 14 -3.477 -6.599 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.612 -8.698 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.338 -8.717 -1.161 1.00 0.00 H new ATOM 180 N GLY A 15 -2.273 -10.348 -3.287 1.00 0.00 N ATOM 181 CA GLY A 15 -2.426 -11.126 -4.503 1.00 0.00 C ATOM 182 C GLY A 15 -1.160 -11.153 -5.337 1.00 0.00 C ATOM 183 O GLY A 15 -1.062 -11.911 -6.302 1.00 0.00 O ATOM 0 H GLY A 15 -1.745 -10.810 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.709 -12.146 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.240 -10.710 -5.097 1.00 0.00 H new ATOM 187 N ILE A 16 -0.191 -10.324 -4.965 1.00 0.00 N ATOM 188 CA ILE A 16 1.074 -10.257 -5.686 1.00 0.00 C ATOM 189 C ILE A 16 1.876 -11.542 -5.511 1.00 0.00 C ATOM 190 O ILE A 16 1.766 -12.240 -4.502 1.00 0.00 O ATOM 191 CB ILE A 16 1.928 -9.065 -5.214 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.091 -9.096 -3.693 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.297 -7.753 -5.658 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.275 -8.297 -3.196 1.00 0.00 C ATOM 0 H ILE A 16 -0.257 -9.690 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 16 0.829 -10.125 -6.740 1.00 0.00 H new ATOM 0 HB ILE A 16 2.916 -9.143 -5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.183 -8.710 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.199 -10.131 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.912 -6.920 -5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.228 -7.732 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.298 -7.666 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.329 -8.364 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.192 -8.697 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.159 -7.254 -3.490 1.00 0.00 H new ATOM 206 N PRO A 17 2.704 -11.864 -6.516 1.00 0.00 N ATOM 207 CA PRO A 17 3.543 -13.067 -6.496 1.00 0.00 C ATOM 208 C PRO A 17 4.666 -12.972 -5.469 1.00 0.00 C ATOM 209 O PRO A 17 5.301 -11.928 -5.321 1.00 0.00 O ATOM 210 CB PRO A 17 4.117 -13.122 -7.914 1.00 0.00 C ATOM 211 CG PRO A 17 4.092 -11.710 -8.388 1.00 0.00 C ATOM 212 CD PRO A 17 2.886 -11.079 -7.748 1.00 0.00 C ATOM 0 HA PRO A 17 2.977 -13.955 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.131 -13.522 -7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.519 -13.767 -8.558 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.004 -11.186 -8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.026 -11.664 -9.475 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.052 -10.024 -7.531 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.011 -11.138 -8.395 1.00 0.00 H new ATOM 220 N LYS A 18 4.909 -14.071 -4.762 1.00 0.00 N ATOM 221 CA LYS A 18 5.957 -14.114 -3.750 1.00 0.00 C ATOM 222 C LYS A 18 7.335 -13.959 -4.387 1.00 0.00 C ATOM 223 O LYS A 18 8.128 -13.113 -3.975 1.00 0.00 O ATOM 224 CB LYS A 18 5.889 -15.429 -2.970 1.00 0.00 C ATOM 225 CG LYS A 18 4.579 -15.628 -2.227 1.00 0.00 C ATOM 226 CD LYS A 18 4.256 -17.102 -2.053 1.00 0.00 C ATOM 227 CE LYS A 18 3.550 -17.666 -3.277 1.00 0.00 C ATOM 228 NZ LYS A 18 3.792 -19.127 -3.433 1.00 0.00 N ATOM 0 H LYS A 18 4.393 -14.944 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 18 5.798 -13.283 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.035 -16.259 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.711 -15.461 -2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.638 -15.149 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.772 -15.140 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.176 -17.658 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.626 -17.236 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.479 -17.482 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.896 -17.143 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.294 -19.473 -4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.812 -19.301 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.439 -19.629 -2.593 1.00 0.00 H new ATOM 242 N MET A 19 7.612 -14.781 -5.393 1.00 0.00 N ATOM 243 CA MET A 19 8.893 -14.733 -6.089 1.00 0.00 C ATOM 244 C MET A 19 9.370 -13.293 -6.249 1.00 0.00 C ATOM 245 O MET A 19 10.572 -13.026 -6.286 1.00 0.00 O ATOM 246 CB MET A 19 8.779 -15.401 -7.460 1.00 0.00 C ATOM 247 CG MET A 19 7.739 -14.759 -8.364 1.00 0.00 C ATOM 248 SD MET A 19 7.208 -15.851 -9.697 1.00 0.00 S ATOM 249 CE MET A 19 6.114 -16.959 -8.812 1.00 0.00 C ATOM 0 H MET A 19 6.967 -15.489 -5.745 1.00 0.00 H new ATOM 0 HA MET A 19 9.625 -15.275 -5.490 1.00 0.00 H new ATOM 0 HB2 MET A 19 9.750 -15.365 -7.954 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.530 -16.453 -7.323 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.873 -14.472 -7.768 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.150 -13.844 -8.791 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.331 -17.989 -9.096 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.265 -16.839 -7.739 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.079 -16.725 -9.061 1.00 0.00 H new ATOM 259 N LYS A 20 8.422 -12.367 -6.346 1.00 0.00 N ATOM 260 CA LYS A 20 8.745 -10.954 -6.502 1.00 0.00 C ATOM 261 C LYS A 20 9.286 -10.372 -5.201 1.00 0.00 C ATOM 262 O LYS A 20 8.962 -10.849 -4.113 1.00 0.00 O ATOM 263 CB LYS A 20 7.506 -10.173 -6.945 1.00 0.00 C ATOM 264 CG LYS A 20 7.327 -10.119 -8.453 1.00 0.00 C ATOM 265 CD LYS A 20 7.509 -11.488 -9.085 1.00 0.00 C ATOM 266 CE LYS A 20 6.853 -11.561 -10.455 1.00 0.00 C ATOM 267 NZ LYS A 20 7.160 -12.842 -11.151 1.00 0.00 N ATOM 0 H LYS A 20 7.423 -12.570 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 20 9.516 -10.866 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.622 -10.628 -6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.571 -9.156 -6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.334 -9.737 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.047 -9.421 -8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.572 -11.709 -9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.081 -12.250 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.773 -11.457 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.194 -10.725 -11.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.614 -12.896 -12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.176 -12.884 -11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.904 -13.641 -10.536 1.00 0.00 H new ATOM 281 N LYS A 21 10.113 -9.339 -5.318 1.00 0.00 N ATOM 282 CA LYS A 21 10.698 -8.690 -4.151 1.00 0.00 C ATOM 283 C LYS A 21 10.100 -7.302 -3.943 1.00 0.00 C ATOM 284 O LYS A 21 9.346 -6.809 -4.783 1.00 0.00 O ATOM 285 CB LYS A 21 12.217 -8.584 -4.309 1.00 0.00 C ATOM 286 CG LYS A 21 12.947 -9.893 -4.064 1.00 0.00 C ATOM 287 CD LYS A 21 13.095 -10.697 -5.344 1.00 0.00 C ATOM 288 CE LYS A 21 14.153 -10.099 -6.259 1.00 0.00 C ATOM 289 NZ LYS A 21 14.603 -11.069 -7.295 1.00 0.00 N ATOM 0 H LYS A 21 10.394 -8.933 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 21 10.471 -9.299 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.446 -8.233 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.594 -7.832 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.933 -9.688 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.403 -10.481 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.362 -11.725 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.139 -10.732 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.752 -9.209 -6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.009 -9.780 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.324 -10.623 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.009 -11.908 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.791 -11.355 -7.879 1.00 0.00 H new ATOM 303 N ARG A 22 10.442 -6.677 -2.821 1.00 0.00 N ATOM 304 CA ARG A 22 9.939 -5.346 -2.504 1.00 0.00 C ATOM 305 C ARG A 22 10.394 -4.330 -3.548 1.00 0.00 C ATOM 306 O ARG A 22 9.592 -3.546 -4.055 1.00 0.00 O ATOM 307 CB ARG A 22 10.415 -4.915 -1.116 1.00 0.00 C ATOM 308 CG ARG A 22 11.927 -4.918 -0.963 1.00 0.00 C ATOM 309 CD ARG A 22 12.339 -4.938 0.501 1.00 0.00 C ATOM 310 NE ARG A 22 12.034 -3.678 1.173 1.00 0.00 N ATOM 311 CZ ARG A 22 12.731 -2.561 0.992 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.767 -2.549 0.164 1.00 0.00 N ATOM 313 NH2 ARG A 22 12.392 -1.454 1.640 1.00 0.00 N ATOM 0 H ARG A 22 11.065 -7.071 -2.116 1.00 0.00 H new ATOM 0 HA ARG A 22 8.850 -5.385 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.039 -3.913 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.981 -5.580 -0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.343 -5.788 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.345 -4.035 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.826 -5.754 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.408 -5.138 0.574 1.00 0.00 H new ATOM 0 HE ARG A 22 11.243 -3.654 1.816 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.030 -3.398 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.300 -1.690 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.596 -1.460 2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.927 -0.597 1.501 1.00 0.00 H new ATOM 327 N GLU A 23 11.685 -4.350 -3.863 1.00 0.00 N ATOM 328 CA GLU A 23 12.246 -3.430 -4.845 1.00 0.00 C ATOM 329 C GLU A 23 11.395 -3.402 -6.112 1.00 0.00 C ATOM 330 O GLU A 23 11.138 -2.338 -6.675 1.00 0.00 O ATOM 331 CB GLU A 23 13.682 -3.829 -5.190 1.00 0.00 C ATOM 332 CG GLU A 23 13.812 -5.256 -5.696 1.00 0.00 C ATOM 333 CD GLU A 23 15.251 -5.732 -5.737 1.00 0.00 C ATOM 334 OE1 GLU A 23 15.765 -6.158 -4.682 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.862 -5.678 -6.824 1.00 0.00 O ATOM 0 H GLU A 23 12.362 -4.993 -3.452 1.00 0.00 H new ATOM 0 HA GLU A 23 12.250 -2.431 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.068 -3.147 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.307 -3.708 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.232 -5.919 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.382 -5.324 -6.695 1.00 0.00 H new ATOM 342 N GLU A 24 10.964 -4.579 -6.554 1.00 0.00 N ATOM 343 CA GLU A 24 10.144 -4.689 -7.755 1.00 0.00 C ATOM 344 C GLU A 24 8.749 -4.119 -7.516 1.00 0.00 C ATOM 345 O GLU A 24 8.270 -3.282 -8.281 1.00 0.00 O ATOM 346 CB GLU A 24 10.041 -6.150 -8.197 1.00 0.00 C ATOM 347 CG GLU A 24 11.351 -6.724 -8.710 1.00 0.00 C ATOM 348 CD GLU A 24 11.727 -6.187 -10.077 1.00 0.00 C ATOM 349 OE1 GLU A 24 11.201 -6.706 -11.084 1.00 0.00 O ATOM 350 OE2 GLU A 24 12.547 -5.247 -10.141 1.00 0.00 O ATOM 0 H GLU A 24 11.169 -5.469 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 24 10.623 -4.111 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.695 -6.752 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.287 -6.232 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.147 -6.493 -8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.273 -7.810 -8.759 1.00 0.00 H new ATOM 357 N ILE A 25 8.103 -4.580 -6.450 1.00 0.00 N ATOM 358 CA ILE A 25 6.764 -4.117 -6.109 1.00 0.00 C ATOM 359 C ILE A 25 6.675 -2.596 -6.176 1.00 0.00 C ATOM 360 O ILE A 25 5.844 -2.043 -6.898 1.00 0.00 O ATOM 361 CB ILE A 25 6.347 -4.583 -4.702 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.384 -6.110 -4.615 1.00 0.00 C ATOM 363 CG2 ILE A 25 4.960 -4.061 -4.360 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.586 -6.630 -3.209 1.00 0.00 C ATOM 0 H ILE A 25 8.486 -5.274 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 25 6.084 -4.552 -6.842 1.00 0.00 H new ATOM 0 HB ILE A 25 7.054 -4.179 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.451 -6.511 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.187 -6.483 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.680 -4.399 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.965 -2.971 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.240 -4.438 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.602 -7.720 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.532 -6.258 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.770 -6.287 -2.573 1.00 0.00 H new ATOM 376 N LEU A 26 7.537 -1.925 -5.420 1.00 0.00 N ATOM 377 CA LEU A 26 7.558 -0.466 -5.395 1.00 0.00 C ATOM 378 C LEU A 26 7.508 0.104 -6.808 1.00 0.00 C ATOM 379 O LEU A 26 6.566 0.808 -7.171 1.00 0.00 O ATOM 380 CB LEU A 26 8.812 0.033 -4.675 1.00 0.00 C ATOM 381 CG LEU A 26 9.177 1.500 -4.902 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.470 2.389 -3.891 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.684 1.693 -4.823 1.00 0.00 C ATOM 0 H LEU A 26 8.230 -2.367 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 26 6.676 -0.124 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.680 -0.126 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.655 -0.583 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 26 8.846 1.786 -5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.742 3.429 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.391 2.273 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.769 2.103 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.925 2.743 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.039 1.389 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.169 1.086 -5.587 1.00 0.00 H new ATOM 395 N GLU A 27 8.528 -0.206 -7.603 1.00 0.00 N ATOM 396 CA GLU A 27 8.599 0.275 -8.977 1.00 0.00 C ATOM 397 C GLU A 27 7.311 -0.045 -9.732 1.00 0.00 C ATOM 398 O GLU A 27 6.653 0.850 -10.263 1.00 0.00 O ATOM 399 CB GLU A 27 9.794 -0.350 -9.699 1.00 0.00 C ATOM 400 CG GLU A 27 10.371 0.530 -10.795 1.00 0.00 C ATOM 401 CD GLU A 27 11.098 1.743 -10.248 1.00 0.00 C ATOM 402 OE1 GLU A 27 12.019 1.562 -9.424 1.00 0.00 O ATOM 403 OE2 GLU A 27 10.747 2.873 -10.645 1.00 0.00 O ATOM 0 H GLU A 27 9.316 -0.788 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 27 8.726 1.357 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.575 -0.567 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.488 -1.302 -10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.059 -0.058 -11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.566 0.859 -11.452 1.00 0.00 H new ATOM 410 N GLU A 28 6.961 -1.326 -9.777 1.00 0.00 N ATOM 411 CA GLU A 28 5.754 -1.763 -10.468 1.00 0.00 C ATOM 412 C GLU A 28 4.535 -0.985 -9.980 1.00 0.00 C ATOM 413 O GLU A 28 3.492 -0.969 -10.635 1.00 0.00 O ATOM 414 CB GLU A 28 5.533 -3.263 -10.257 1.00 0.00 C ATOM 415 CG GLU A 28 4.855 -3.950 -11.431 1.00 0.00 C ATOM 416 CD GLU A 28 5.705 -3.933 -12.686 1.00 0.00 C ATOM 417 OE1 GLU A 28 6.947 -3.908 -12.560 1.00 0.00 O ATOM 418 OE2 GLU A 28 5.129 -3.946 -13.794 1.00 0.00 O ATOM 0 H GLU A 28 7.496 -2.079 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 28 5.886 -1.568 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.495 -3.741 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.928 -3.410 -9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.630 -4.982 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.903 -3.459 -11.634 1.00 0.00 H new ATOM 425 N ILE A 29 4.674 -0.342 -8.826 1.00 0.00 N ATOM 426 CA ILE A 29 3.586 0.438 -8.251 1.00 0.00 C ATOM 427 C ILE A 29 3.700 1.909 -8.637 1.00 0.00 C ATOM 428 O ILE A 29 2.697 2.568 -8.913 1.00 0.00 O ATOM 429 CB ILE A 29 3.562 0.324 -6.715 1.00 0.00 C ATOM 430 CG1 ILE A 29 2.970 -1.022 -6.292 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.767 1.471 -6.111 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.663 -1.351 -6.979 1.00 0.00 C ATOM 0 H ILE A 29 5.530 -0.346 -8.271 1.00 0.00 H new ATOM 0 HA ILE A 29 2.659 0.029 -8.653 1.00 0.00 H new ATOM 0 HB ILE A 29 4.585 0.383 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.692 -1.810 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.813 -1.018 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.759 1.376 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.227 2.419 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.744 1.441 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.302 -2.319 -6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.926 -0.583 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.818 -1.388 -8.057 1.00 0.00 H new ATOM 444 N ALA A 30 4.927 2.417 -8.657 1.00 0.00 N ATOM 445 CA ALA A 30 5.173 3.809 -9.015 1.00 0.00 C ATOM 446 C ALA A 30 4.584 4.136 -10.383 1.00 0.00 C ATOM 447 O ALA A 30 4.477 5.303 -10.761 1.00 0.00 O ATOM 448 CB ALA A 30 6.666 4.103 -8.996 1.00 0.00 C ATOM 0 H ALA A 30 5.767 1.885 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 30 4.680 4.441 -8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.835 5.146 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.061 3.918 -7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.173 3.457 -9.712 1.00 0.00 H new ATOM 454 N LYS A 31 4.204 3.100 -11.122 1.00 0.00 N ATOM 455 CA LYS A 31 3.626 3.276 -12.448 1.00 0.00 C ATOM 456 C LYS A 31 2.102 3.226 -12.389 1.00 0.00 C ATOM 457 O LYS A 31 1.423 4.148 -12.839 1.00 0.00 O ATOM 458 CB LYS A 31 4.145 2.198 -13.402 1.00 0.00 C ATOM 459 CG LYS A 31 3.906 0.782 -12.907 1.00 0.00 C ATOM 460 CD LYS A 31 4.744 -0.226 -13.675 1.00 0.00 C ATOM 461 CE LYS A 31 6.225 -0.073 -13.365 1.00 0.00 C ATOM 462 NZ LYS A 31 6.899 0.851 -14.318 1.00 0.00 N ATOM 0 H LYS A 31 4.286 2.128 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 31 3.926 4.256 -12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.664 2.321 -14.372 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.214 2.345 -13.556 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.145 0.722 -11.845 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.850 0.533 -13.011 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.421 -1.236 -13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.580 -0.097 -14.745 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.346 0.302 -12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.707 -1.050 -13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.748 0.392 -14.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.248 1.085 -15.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.173 1.723 -13.821 1.00 0.00 H new ATOM 476 N VAL A 32 1.572 2.144 -11.829 1.00 0.00 N ATOM 477 CA VAL A 32 0.129 1.975 -11.708 1.00 0.00 C ATOM 478 C VAL A 32 -0.476 3.046 -10.808 1.00 0.00 C ATOM 479 O VAL A 32 -1.630 3.441 -10.982 1.00 0.00 O ATOM 480 CB VAL A 32 -0.228 0.586 -11.145 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.264 -0.511 -12.077 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.352 0.411 -9.750 1.00 0.00 C ATOM 0 H VAL A 32 2.120 1.371 -11.452 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.286 2.070 -12.711 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.313 0.510 -11.074 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.003 -1.485 -11.663 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.204 -0.395 -13.054 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.347 -0.440 -12.183 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.090 -0.576 -9.368 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.437 0.507 -9.792 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.055 1.176 -9.088 1.00 0.00 H new ATOM 492 N THR A 33 0.310 3.515 -9.844 1.00 0.00 N ATOM 493 CA THR A 33 -0.148 4.541 -8.916 1.00 0.00 C ATOM 494 C THR A 33 0.936 5.586 -8.672 1.00 0.00 C ATOM 495 O THR A 33 1.974 5.289 -8.083 1.00 0.00 O ATOM 496 CB THR A 33 -0.568 3.930 -7.566 1.00 0.00 C ATOM 497 OG1 THR A 33 0.586 3.464 -6.858 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.542 2.780 -7.772 1.00 0.00 C ATOM 0 H THR A 33 1.267 3.200 -9.686 1.00 0.00 H new ATOM 0 HA THR A 33 -1.013 5.019 -9.376 1.00 0.00 H new ATOM 0 HB THR A 33 -1.064 4.705 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.390 3.883 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.824 2.365 -6.805 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.432 3.145 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.068 2.006 -8.375 1.00 0.00 H new ATOM 506 N GLU A 34 0.685 6.809 -9.129 1.00 0.00 N ATOM 507 CA GLU A 34 1.641 7.897 -8.960 1.00 0.00 C ATOM 508 C GLU A 34 1.419 8.615 -7.632 1.00 0.00 C ATOM 509 O GLU A 34 0.327 9.112 -7.358 1.00 0.00 O ATOM 510 CB GLU A 34 1.525 8.892 -10.117 1.00 0.00 C ATOM 511 CG GLU A 34 2.199 8.421 -11.395 1.00 0.00 C ATOM 512 CD GLU A 34 2.170 9.469 -12.490 1.00 0.00 C ATOM 513 OE1 GLU A 34 1.061 9.903 -12.866 1.00 0.00 O ATOM 514 OE2 GLU A 34 3.256 9.856 -12.970 1.00 0.00 O ATOM 0 H GLU A 34 -0.171 7.071 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 34 2.643 7.469 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.471 9.079 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.964 9.842 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.234 8.155 -11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.705 7.516 -11.750 1.00 0.00 H new ATOM 521 N GLY A 35 2.463 8.666 -6.811 1.00 0.00 N ATOM 522 CA GLY A 35 2.362 9.325 -5.522 1.00 0.00 C ATOM 523 C GLY A 35 2.875 8.460 -4.387 1.00 0.00 C ATOM 524 O GLY A 35 2.613 8.739 -3.217 1.00 0.00 O ATOM 0 H GLY A 35 3.377 8.263 -7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.927 10.257 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.321 9.588 -5.332 1.00 0.00 H new ATOM 528 N VAL A 36 3.606 7.406 -4.733 1.00 0.00 N ATOM 529 CA VAL A 36 4.157 6.497 -3.734 1.00 0.00 C ATOM 530 C VAL A 36 5.474 7.025 -3.177 1.00 0.00 C ATOM 531 O VAL A 36 6.178 7.790 -3.837 1.00 0.00 O ATOM 532 CB VAL A 36 4.387 5.091 -4.321 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.238 4.700 -5.238 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.714 5.035 -5.062 1.00 0.00 C ATOM 0 H VAL A 36 3.831 7.160 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 36 3.426 6.431 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 36 4.424 4.375 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.418 3.704 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.306 4.699 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.165 5.417 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.861 4.035 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.708 5.761 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.526 5.268 -4.373 1.00 0.00 H new ATOM 544 N LEU A 37 5.802 6.611 -1.958 1.00 0.00 N ATOM 545 CA LEU A 37 7.036 7.042 -1.311 1.00 0.00 C ATOM 546 C LEU A 37 8.000 5.872 -1.142 1.00 0.00 C ATOM 547 O LEU A 37 9.174 5.965 -1.499 1.00 0.00 O ATOM 548 CB LEU A 37 6.730 7.666 0.052 1.00 0.00 C ATOM 549 CG LEU A 37 7.693 8.756 0.523 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.747 9.893 -0.485 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.282 9.274 1.894 1.00 0.00 C ATOM 0 H LEU A 37 5.231 5.978 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 37 7.509 7.789 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.725 8.087 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.719 6.872 0.798 1.00 0.00 H new ATOM 0 HG LEU A 37 8.690 8.323 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.437 10.659 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.089 9.511 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.753 10.325 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.978 10.049 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.276 9.690 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.297 8.454 2.612 1.00 0.00 H new ATOM 563 N ASP A 38 7.495 4.771 -0.597 1.00 0.00 N ATOM 564 CA ASP A 38 8.310 3.580 -0.384 1.00 0.00 C ATOM 565 C ASP A 38 7.432 2.360 -0.124 1.00 0.00 C ATOM 566 O ASP A 38 6.264 2.489 0.242 1.00 0.00 O ATOM 567 CB ASP A 38 9.267 3.795 0.789 1.00 0.00 C ATOM 568 CG ASP A 38 10.533 2.970 0.662 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.179 3.034 -0.405 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.878 2.261 1.630 1.00 0.00 O ATOM 0 H ASP A 38 6.525 4.678 -0.295 1.00 0.00 H new ATOM 0 HA ASP A 38 8.891 3.400 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.530 4.851 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.761 3.537 1.719 1.00 0.00 H new ATOM 575 N VAL A 39 8.003 1.175 -0.316 1.00 0.00 N ATOM 576 CA VAL A 39 7.272 -0.069 -0.102 1.00 0.00 C ATOM 577 C VAL A 39 7.866 -0.863 1.056 1.00 0.00 C ATOM 578 O VAL A 39 9.085 -0.977 1.183 1.00 0.00 O ATOM 579 CB VAL A 39 7.277 -0.947 -1.368 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.910 -2.382 -1.023 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.326 -0.381 -2.412 1.00 0.00 C ATOM 0 H VAL A 39 8.969 1.050 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 39 6.245 0.204 0.138 1.00 0.00 H new ATOM 0 HB VAL A 39 8.283 -0.945 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.919 -2.988 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.633 -2.782 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.915 -2.406 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.342 -1.013 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.315 -0.352 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.639 0.628 -2.680 1.00 0.00 H new ATOM 591 N ILE A 40 6.996 -1.410 1.898 1.00 0.00 N ATOM 592 CA ILE A 40 7.435 -2.195 3.046 1.00 0.00 C ATOM 593 C ILE A 40 6.965 -3.641 2.934 1.00 0.00 C ATOM 594 O ILE A 40 5.841 -3.909 2.510 1.00 0.00 O ATOM 595 CB ILE A 40 6.915 -1.598 4.367 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.323 -0.128 4.484 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.442 -2.396 5.551 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.331 0.826 3.857 1.00 0.00 C ATOM 0 H ILE A 40 5.984 -1.324 1.807 1.00 0.00 H new ATOM 0 HA ILE A 40 8.525 -2.169 3.049 1.00 0.00 H new ATOM 0 HB ILE A 40 5.826 -1.654 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.442 0.125 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.296 0.009 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.066 -1.963 6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.106 -3.430 5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.532 -2.368 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.685 1.850 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.229 0.600 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.363 0.717 4.345 1.00 0.00 H new ATOM 806 N PHE A 54 1.888 -10.417 -0.541 1.00 0.00 N ATOM 807 CA PHE A 54 1.367 -9.070 -0.338 1.00 0.00 C ATOM 808 C PHE A 54 2.502 -8.079 -0.091 1.00 0.00 C ATOM 809 O PHE A 54 3.650 -8.472 0.113 1.00 0.00 O ATOM 810 CB PHE A 54 0.392 -9.049 0.841 1.00 0.00 C ATOM 811 CG PHE A 54 0.316 -7.719 1.533 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.362 -7.275 2.326 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.801 -6.911 1.391 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.295 -6.052 2.965 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.874 -5.686 2.027 1.00 0.00 C ATOM 816 CZ PHE A 54 0.176 -5.256 2.815 1.00 0.00 C ATOM 0 HA PHE A 54 0.838 -8.772 -1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.602 -9.322 0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.691 -9.809 1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.240 -7.892 2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.624 -7.243 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.117 -5.719 3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.750 -5.066 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.122 -4.299 3.313 1.00 0.00 H new ATOM 826 N ALA A 55 2.170 -6.792 -0.112 1.00 0.00 N ATOM 827 CA ALA A 55 3.160 -5.745 0.111 1.00 0.00 C ATOM 828 C ALA A 55 2.492 -4.438 0.524 1.00 0.00 C ATOM 829 O ALA A 55 1.347 -4.171 0.157 1.00 0.00 O ATOM 830 CB ALA A 55 4.001 -5.539 -1.140 1.00 0.00 C ATOM 0 H ALA A 55 1.224 -6.450 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 55 3.812 -6.062 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.736 -4.755 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.515 -6.467 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.355 -5.247 -1.968 1.00 0.00 H new ATOM 836 N PHE A 56 3.213 -3.626 1.289 1.00 0.00 N ATOM 837 CA PHE A 56 2.690 -2.347 1.753 1.00 0.00 C ATOM 838 C PHE A 56 3.288 -1.192 0.955 1.00 0.00 C ATOM 839 O PHE A 56 4.507 -1.082 0.819 1.00 0.00 O ATOM 840 CB PHE A 56 2.987 -2.160 3.243 1.00 0.00 C ATOM 841 CG PHE A 56 1.901 -2.681 4.140 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.626 -2.141 4.093 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.156 -3.710 5.032 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.376 -2.619 4.917 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.158 -4.192 5.859 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.109 -3.645 5.802 1.00 0.00 C ATOM 0 H PHE A 56 4.162 -3.831 1.601 1.00 0.00 H new ATOM 0 HA PHE A 56 1.610 -2.349 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.922 -2.666 3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.137 -1.099 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.412 -1.337 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.145 -4.140 5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.366 -2.191 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.369 -4.996 6.549 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.889 -4.019 6.448 1.00 0.00 H new ATOM 856 N VAL A 57 2.422 -0.333 0.428 1.00 0.00 N ATOM 857 CA VAL A 57 2.863 0.814 -0.357 1.00 0.00 C ATOM 858 C VAL A 57 2.501 2.124 0.333 1.00 0.00 C ATOM 859 O VAL A 57 1.332 2.506 0.385 1.00 0.00 O ATOM 860 CB VAL A 57 2.244 0.801 -1.767 1.00 0.00 C ATOM 861 CG1 VAL A 57 3.094 1.615 -2.731 1.00 0.00 C ATOM 862 CG2 VAL A 57 2.082 -0.628 -2.264 1.00 0.00 C ATOM 0 H VAL A 57 1.410 -0.410 0.530 1.00 0.00 H new ATOM 0 HA VAL A 57 3.947 0.740 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 57 1.256 1.259 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.641 1.594 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.155 2.646 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.096 1.189 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.643 -0.619 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.057 -1.113 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.429 -1.177 -1.586 1.00 0.00 H new ATOM 872 N GLU A 58 3.511 2.808 0.861 1.00 0.00 N ATOM 873 CA GLU A 58 3.298 4.076 1.549 1.00 0.00 C ATOM 874 C GLU A 58 3.196 5.225 0.550 1.00 0.00 C ATOM 875 O GLU A 58 3.956 5.292 -0.416 1.00 0.00 O ATOM 876 CB GLU A 58 4.435 4.343 2.537 1.00 0.00 C ATOM 877 CG GLU A 58 4.038 5.250 3.690 1.00 0.00 C ATOM 878 CD GLU A 58 5.218 6.004 4.272 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.094 5.357 4.884 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.266 7.242 4.114 1.00 0.00 O ATOM 0 H GLU A 58 4.484 2.506 0.826 1.00 0.00 H new ATOM 0 HA GLU A 58 2.359 4.010 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.788 3.393 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.271 4.793 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.290 5.964 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.571 4.653 4.473 1.00 0.00 H new ATOM 887 N TYR A 59 2.251 6.128 0.791 1.00 0.00 N ATOM 888 CA TYR A 59 2.047 7.273 -0.088 1.00 0.00 C ATOM 889 C TYR A 59 2.230 8.583 0.673 1.00 0.00 C ATOM 890 O TYR A 59 1.648 8.780 1.738 1.00 0.00 O ATOM 891 CB TYR A 59 0.650 7.223 -0.710 1.00 0.00 C ATOM 892 CG TYR A 59 0.475 6.107 -1.715 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.252 4.800 -1.300 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.531 6.361 -3.080 1.00 0.00 C ATOM 895 CE1 TYR A 59 0.092 3.778 -2.216 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.371 5.345 -4.003 1.00 0.00 C ATOM 897 CZ TYR A 59 0.152 4.055 -3.566 1.00 0.00 C ATOM 898 OH TYR A 59 -0.008 3.040 -4.480 1.00 0.00 O ATOM 0 H TYR A 59 1.615 6.089 1.587 1.00 0.00 H new ATOM 0 HA TYR A 59 2.793 7.227 -0.882 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.088 7.105 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.444 8.176 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.203 4.579 -0.244 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.703 7.370 -3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.079 2.767 -1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.417 5.560 -5.060 1.00 0.00 H new ATOM 0 HH TYR A 59 0.540 3.223 -5.272 1.00 0.00 H new ATOM 908 N GLU A 60 3.044 9.474 0.116 1.00 0.00 N ATOM 909 CA GLU A 60 3.305 10.765 0.741 1.00 0.00 C ATOM 910 C GLU A 60 2.002 11.515 1.004 1.00 0.00 C ATOM 911 O GLU A 60 1.780 12.031 2.100 1.00 0.00 O ATOM 912 CB GLU A 60 4.223 11.610 -0.145 1.00 0.00 C ATOM 913 CG GLU A 60 3.676 11.839 -1.544 1.00 0.00 C ATOM 914 CD GLU A 60 4.607 12.670 -2.405 1.00 0.00 C ATOM 915 OE1 GLU A 60 4.643 13.904 -2.219 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.299 12.086 -3.265 1.00 0.00 O ATOM 0 H GLU A 60 3.534 9.326 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 60 3.800 10.584 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.389 12.575 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.194 11.120 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.505 10.876 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.709 12.337 -1.475 1.00 0.00 H new ATOM 923 N SER A 61 1.144 11.572 -0.009 1.00 0.00 N ATOM 924 CA SER A 61 -0.135 12.263 0.110 1.00 0.00 C ATOM 925 C SER A 61 -1.244 11.289 0.499 1.00 0.00 C ATOM 926 O SER A 61 -1.435 10.258 -0.147 1.00 0.00 O ATOM 927 CB SER A 61 -0.489 12.956 -1.207 1.00 0.00 C ATOM 928 OG SER A 61 -1.679 13.715 -1.080 1.00 0.00 O ATOM 0 H SER A 61 1.311 11.148 -0.922 1.00 0.00 H new ATOM 0 HA SER A 61 -0.043 13.014 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.331 13.607 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.612 12.210 -1.992 1.00 0.00 H new ATOM 0 HG SER A 61 -1.883 14.149 -1.935 1.00 0.00 H new ATOM 934 N HIS A 62 -1.972 11.625 1.559 1.00 0.00 N ATOM 935 CA HIS A 62 -3.063 10.782 2.035 1.00 0.00 C ATOM 936 C HIS A 62 -4.025 10.445 0.900 1.00 0.00 C ATOM 937 O HIS A 62 -4.696 9.414 0.927 1.00 0.00 O ATOM 938 CB HIS A 62 -3.816 11.478 3.168 1.00 0.00 C ATOM 939 CG HIS A 62 -5.151 10.865 3.466 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.330 9.513 3.667 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.374 11.429 3.597 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.606 9.271 3.907 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.261 10.418 3.871 1.00 0.00 N ATOM 0 H HIS A 62 -1.826 12.475 2.104 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.634 9.853 2.411 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.204 11.452 4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.957 12.527 2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.609 12.479 3.503 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.040 8.301 4.100 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.263 10.533 4.022 1.00 0.00 H new ATOM 951 N ARG A 63 -4.086 11.323 -0.097 1.00 0.00 N ATOM 952 CA ARG A 63 -4.968 11.120 -1.240 1.00 0.00 C ATOM 953 C ARG A 63 -4.316 10.206 -2.274 1.00 0.00 C ATOM 954 O ARG A 63 -4.964 9.321 -2.831 1.00 0.00 O ATOM 955 CB ARG A 63 -5.323 12.462 -1.882 1.00 0.00 C ATOM 956 CG ARG A 63 -6.170 12.332 -3.138 1.00 0.00 C ATOM 957 CD ARG A 63 -7.651 12.256 -2.805 1.00 0.00 C ATOM 958 NE ARG A 63 -8.137 13.487 -2.187 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.423 13.815 -2.114 1.00 0.00 C ATOM 960 NH1 ARG A 63 -10.346 13.007 -2.616 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.786 14.953 -1.537 1.00 0.00 N ATOM 0 H ARG A 63 -3.535 12.181 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.881 10.643 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.858 13.073 -1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.403 12.992 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.986 13.184 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.873 11.439 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.218 12.059 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.829 11.418 -2.131 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.452 14.130 -1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.070 12.131 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.332 13.261 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.078 15.577 -1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.773 15.204 -1.481 1.00 0.00 H new ATOM 975 N ALA A 64 -3.030 10.428 -2.524 1.00 0.00 N ATOM 976 CA ALA A 64 -2.290 9.624 -3.489 1.00 0.00 C ATOM 977 C ALA A 64 -2.604 8.141 -3.324 1.00 0.00 C ATOM 978 O ALA A 64 -2.514 7.368 -4.277 1.00 0.00 O ATOM 979 CB ALA A 64 -0.795 9.868 -3.343 1.00 0.00 C ATOM 0 H ALA A 64 -2.479 11.158 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.601 9.925 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.255 9.261 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.580 10.922 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.479 9.596 -2.336 1.00 0.00 H new ATOM 985 N ALA A 65 -2.973 7.751 -2.108 1.00 0.00 N ATOM 986 CA ALA A 65 -3.302 6.360 -1.820 1.00 0.00 C ATOM 987 C ALA A 65 -4.777 6.078 -2.087 1.00 0.00 C ATOM 988 O ALA A 65 -5.127 5.049 -2.663 1.00 0.00 O ATOM 989 CB ALA A 65 -2.952 6.024 -0.378 1.00 0.00 C ATOM 0 H ALA A 65 -3.052 8.378 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.712 5.728 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.203 4.983 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.885 6.178 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.517 6.670 0.294 1.00 0.00 H new ATOM 995 N ALA A 66 -5.637 6.999 -1.665 1.00 0.00 N ATOM 996 CA ALA A 66 -7.073 6.850 -1.860 1.00 0.00 C ATOM 997 C ALA A 66 -7.418 6.749 -3.342 1.00 0.00 C ATOM 998 O ALA A 66 -8.110 5.824 -3.766 1.00 0.00 O ATOM 999 CB ALA A 66 -7.817 8.013 -1.221 1.00 0.00 C ATOM 0 H ALA A 66 -5.363 7.857 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.386 5.924 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.889 7.888 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.604 8.038 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.492 8.948 -1.677 1.00 0.00 H new ATOM 1005 N MET A 67 -6.933 7.707 -4.125 1.00 0.00 N ATOM 1006 CA MET A 67 -7.190 7.725 -5.560 1.00 0.00 C ATOM 1007 C MET A 67 -6.417 6.615 -6.264 1.00 0.00 C ATOM 1008 O MET A 67 -6.792 6.179 -7.352 1.00 0.00 O ATOM 1009 CB MET A 67 -6.808 9.083 -6.151 1.00 0.00 C ATOM 1010 CG MET A 67 -5.330 9.413 -6.011 1.00 0.00 C ATOM 1011 SD MET A 67 -4.762 10.593 -7.250 1.00 0.00 S ATOM 1012 CE MET A 67 -4.598 12.074 -6.256 1.00 0.00 C ATOM 0 H MET A 67 -6.360 8.481 -3.790 1.00 0.00 H new ATOM 0 HA MET A 67 -8.256 7.556 -5.716 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.077 9.099 -7.207 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.394 9.861 -5.661 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.145 9.819 -5.016 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.747 8.496 -6.094 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.089 12.845 -6.834 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.587 12.430 -5.968 1.00 0.00 H new ATOM 0 HE3 MET A 67 -4.018 11.849 -5.361 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.336 6.162 -5.637 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.512 5.102 -6.204 1.00 0.00 C ATOM 1024 C ALA A 68 -5.227 3.756 -6.139 1.00 0.00 C ATOM 1025 O ALA A 68 -5.222 2.992 -7.104 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.177 5.027 -5.479 1.00 0.00 C ATOM 0 H ALA A 68 -5.011 6.513 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.331 5.338 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.572 4.231 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.654 5.978 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.348 4.818 -4.423 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.842 3.473 -4.995 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.560 2.218 -4.804 1.00 0.00 C ATOM 1034 C ARG A 69 -7.786 2.150 -5.710 1.00 0.00 C ATOM 1035 O ARG A 69 -8.056 1.121 -6.329 1.00 0.00 O ATOM 1036 CB ARG A 69 -6.984 2.066 -3.342 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.763 3.257 -2.807 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.275 3.000 -1.398 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.600 2.387 -1.401 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.726 3.070 -1.572 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -10.687 4.383 -1.754 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.894 2.441 -1.562 1.00 0.00 N ATOM 0 H ARG A 69 -5.858 4.095 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.889 1.401 -5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.594 1.168 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.095 1.918 -2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.125 4.141 -2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.603 3.470 -3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.576 2.350 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.312 3.941 -0.848 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.664 1.378 -1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.791 4.870 -1.763 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.553 4.906 -1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.928 1.431 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.758 2.967 -1.693 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.524 3.253 -5.782 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.722 3.318 -6.611 1.00 0.00 C ATOM 1058 C ARG A 70 -9.407 2.928 -8.052 1.00 0.00 C ATOM 1059 O ARG A 70 -10.310 2.656 -8.844 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.320 4.725 -6.571 1.00 0.00 C ATOM 1061 CG ARG A 70 -11.122 5.082 -7.812 1.00 0.00 C ATOM 1062 CD ARG A 70 -11.639 6.510 -7.750 1.00 0.00 C ATOM 1063 NE ARG A 70 -12.775 6.642 -6.842 1.00 0.00 N ATOM 1064 CZ ARG A 70 -13.641 7.648 -6.890 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -13.503 8.604 -7.797 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -14.650 7.698 -6.029 1.00 0.00 N ATOM 0 H ARG A 70 -8.314 4.114 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.449 2.611 -6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.963 4.812 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.515 5.449 -6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.499 4.958 -8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.961 4.394 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.836 7.172 -7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.934 6.832 -8.749 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.911 5.922 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.730 8.569 -8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.170 9.375 -7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.761 6.964 -5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.315 8.471 -6.066 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.121 2.903 -8.386 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.686 2.545 -9.731 1.00 0.00 C ATOM 1082 C LYS A 71 -7.469 1.040 -9.851 1.00 0.00 C ATOM 1083 O LYS A 71 -7.826 0.430 -10.860 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.396 3.287 -10.085 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.862 2.953 -11.468 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.493 3.570 -11.701 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.925 3.170 -13.054 1.00 0.00 C ATOM 1088 NZ LYS A 71 -4.309 4.131 -14.124 1.00 0.00 N ATOM 0 H LYS A 71 -7.361 3.127 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.470 2.837 -10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.576 4.360 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.634 3.048 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.799 1.871 -11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.558 3.314 -12.225 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.567 4.656 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.811 3.255 -10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.838 3.114 -12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.280 2.174 -13.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.902 3.823 -15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.345 4.166 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.948 5.077 -13.887 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.885 0.447 -8.816 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.622 -0.988 -8.805 1.00 0.00 C ATOM 1104 C LEU A 72 -7.682 -1.729 -7.995 1.00 0.00 C ATOM 1105 O LEU A 72 -7.623 -2.949 -7.849 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.234 -1.267 -8.226 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.146 -0.249 -8.570 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.954 -0.408 -7.640 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.717 -0.396 -10.022 1.00 0.00 C ATOM 0 H LEU A 72 -6.585 0.937 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.659 -1.348 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.320 -1.324 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.908 -2.248 -8.572 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.555 0.752 -8.434 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.190 0.325 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.273 -0.250 -6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.544 -1.413 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.942 0.337 -10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.326 -1.400 -10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.575 -0.230 -10.673 1.00 0.00 H new ATOM 1121 N MET A 73 -8.649 -0.983 -7.473 1.00 0.00 N ATOM 1122 CA MET A 73 -9.724 -1.570 -6.681 1.00 0.00 C ATOM 1123 C MET A 73 -10.483 -2.619 -7.488 1.00 0.00 C ATOM 1124 O MET A 73 -10.669 -3.756 -7.054 1.00 0.00 O ATOM 1125 CB MET A 73 -10.687 -0.482 -6.203 1.00 0.00 C ATOM 1126 CG MET A 73 -11.224 -0.719 -4.800 1.00 0.00 C ATOM 1127 SD MET A 73 -12.058 -2.309 -4.635 1.00 0.00 S ATOM 1128 CE MET A 73 -10.802 -3.264 -3.787 1.00 0.00 C ATOM 0 H MET A 73 -8.711 0.029 -7.584 1.00 0.00 H new ATOM 0 HA MET A 73 -9.278 -2.057 -5.813 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.177 0.481 -6.230 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.524 -0.419 -6.898 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.401 -0.669 -4.087 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.919 0.080 -4.541 1.00 0.00 H new ATOM 0 HE1 MET A 73 -10.812 -4.289 -4.158 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.823 -2.821 -3.970 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.006 -3.264 -2.716 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.933 -2.231 -8.690 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.679 -3.123 -9.583 1.00 0.00 C ATOM 1140 C PRO A 74 -10.803 -4.231 -10.159 1.00 0.00 C ATOM 1141 O PRO A 74 -11.267 -5.058 -10.942 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.161 -2.189 -10.696 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.181 -1.067 -10.701 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.747 -0.890 -9.272 1.00 0.00 C ATOM 0 HA PRO A 74 -12.486 -3.640 -9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.183 -2.699 -11.659 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.172 -1.831 -10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.330 -1.295 -11.342 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.635 -0.154 -11.087 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.709 -0.563 -9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.351 -0.142 -8.758 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.533 -4.241 -9.765 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.613 -5.252 -10.252 1.00 0.00 C ATOM 1154 C GLY A 75 -8.417 -5.182 -11.754 1.00 0.00 C ATOM 1155 O GLY A 75 -8.221 -6.205 -12.409 1.00 0.00 O ATOM 0 H GLY A 75 -9.125 -3.567 -9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.650 -5.131 -9.757 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.988 -6.240 -9.983 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.472 -3.972 -12.300 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.302 -3.773 -13.735 1.00 0.00 C ATOM 1161 C ARG A 76 -6.841 -3.945 -14.138 1.00 0.00 C ATOM 1162 O ARG A 76 -6.541 -4.420 -15.234 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.794 -2.382 -14.140 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.301 -2.214 -14.036 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.998 -2.644 -15.317 1.00 0.00 C ATOM 1166 NE ARG A 76 -11.319 -4.069 -15.314 1.00 0.00 N ATOM 1167 CZ ARG A 76 -11.546 -4.773 -16.417 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -11.487 -4.188 -17.606 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -11.832 -6.066 -16.333 1.00 0.00 N ATOM 0 H ARG A 76 -8.633 -3.115 -11.771 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.895 -4.526 -14.254 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.310 -1.637 -13.509 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.485 -2.181 -15.166 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.677 -2.804 -13.200 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.538 -1.172 -13.823 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.914 -2.066 -15.443 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.359 -2.418 -16.171 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.372 -4.550 -14.416 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.267 -3.194 -17.675 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.662 -4.732 -18.451 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.878 -6.520 -15.421 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.006 -6.606 -17.181 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.936 -3.557 -13.245 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.507 -3.669 -13.508 1.00 0.00 C ATOM 1185 C ILE A 77 -3.902 -4.855 -12.763 1.00 0.00 C ATOM 1186 O ILE A 77 -4.237 -5.108 -11.606 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.758 -2.386 -13.103 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.225 -1.205 -13.956 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.255 -2.584 -13.240 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.381 -0.441 -13.349 1.00 0.00 C ATOM 0 H ILE A 77 -6.168 -3.162 -12.333 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.395 -3.822 -14.581 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.982 -2.167 -12.059 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.388 -0.523 -14.107 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.519 -1.571 -14.940 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.739 -1.668 -12.950 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.935 -3.401 -12.593 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.013 -2.825 -14.275 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.659 0.382 -14.008 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.233 -1.109 -13.224 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.085 -0.044 -12.378 1.00 0.00 H new ATOM 1202 N GLN A 78 -3.010 -5.575 -13.434 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.358 -6.733 -12.835 1.00 0.00 C ATOM 1204 C GLN A 78 -0.851 -6.517 -12.732 1.00 0.00 C ATOM 1205 O GLN A 78 -0.251 -5.849 -13.575 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.650 -7.991 -13.655 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.111 -8.409 -13.627 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.447 -9.427 -14.700 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.349 -9.143 -15.894 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -4.846 -10.621 -14.278 1.00 0.00 N ATOM 0 H GLN A 78 -2.722 -5.377 -14.392 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.758 -6.863 -11.829 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.350 -7.819 -14.689 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.039 -8.811 -13.278 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.347 -8.827 -12.648 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.740 -7.528 -13.757 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.913 -10.813 -13.278 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.086 -11.347 -14.953 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.246 -7.087 -11.696 1.00 0.00 N ATOM 1220 CA LEU A 79 1.191 -6.957 -11.483 1.00 0.00 C ATOM 1221 C LEU A 79 1.921 -8.231 -11.896 1.00 0.00 C ATOM 1222 O LEU A 79 1.739 -9.286 -11.288 1.00 0.00 O ATOM 1223 CB LEU A 79 1.482 -6.642 -10.015 1.00 0.00 C ATOM 1224 CG LEU A 79 1.007 -5.278 -9.514 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.350 -5.100 -8.043 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.621 -4.160 -10.345 1.00 0.00 C ATOM 0 H LEU A 79 -0.728 -7.644 -10.990 1.00 0.00 H new ATOM 0 HA LEU A 79 1.552 -6.137 -12.103 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.019 -7.414 -9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.558 -6.710 -9.856 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.077 -5.231 -9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.004 -4.123 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.862 -5.880 -7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.430 -5.169 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.271 -3.197 -9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.707 -4.205 -10.270 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.324 -4.276 -11.387 1.00 0.00 H new ATOM 1238 N TRP A 80 2.746 -8.125 -12.930 1.00 0.00 N ATOM 1239 CA TRP A 80 3.505 -9.269 -13.423 1.00 0.00 C ATOM 1240 C TRP A 80 2.574 -10.403 -13.836 1.00 0.00 C ATOM 1241 O TRP A 80 2.842 -11.571 -13.560 1.00 0.00 O ATOM 1242 CB TRP A 80 4.481 -9.759 -12.352 1.00 0.00 C ATOM 1243 CG TRP A 80 5.186 -8.646 -11.636 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.229 -7.900 -12.106 1.00 0.00 C ATOM 1245 CD2 TRP A 80 4.899 -8.156 -10.322 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.608 -6.976 -11.163 1.00 0.00 N ATOM 1247 CE2 TRP A 80 5.807 -7.111 -10.060 1.00 0.00 C ATOM 1248 CE3 TRP A 80 3.963 -8.495 -9.342 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 5.805 -6.407 -8.859 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 3.962 -7.796 -8.151 1.00 0.00 C ATOM 1251 CH2 TRP A 80 4.877 -6.761 -7.917 1.00 0.00 C ATOM 0 H TRP A 80 2.907 -7.259 -13.444 1.00 0.00 H new ATOM 0 HA TRP A 80 4.068 -8.949 -14.300 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.938 -10.363 -11.625 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.222 -10.410 -12.816 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.688 -8.019 -13.076 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.364 -6.299 -11.267 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.252 -9.290 -9.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.511 -5.610 -8.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.243 -8.052 -7.386 1.00 0.00 H new ATOM 0 HH2 TRP A 80 4.850 -6.232 -6.976 1.00 0.00 H new ATOM 1262 N GLY A 81 1.478 -10.050 -14.501 1.00 0.00 N ATOM 1263 CA GLY A 81 0.523 -11.050 -14.942 1.00 0.00 C ATOM 1264 C GLY A 81 -0.236 -11.675 -13.789 1.00 0.00 C ATOM 1265 O GLY A 81 -0.990 -12.631 -13.977 1.00 0.00 O ATOM 0 H GLY A 81 1.234 -9.089 -14.742 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.185 -10.592 -15.633 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.047 -11.830 -15.493 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.038 -11.136 -12.590 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.709 -11.647 -11.401 1.00 0.00 C ATOM 1271 C HIS A 82 -1.768 -10.665 -10.910 1.00 0.00 C ATOM 1272 O HIS A 82 -1.544 -9.455 -10.892 1.00 0.00 O ATOM 1273 CB HIS A 82 0.307 -11.916 -10.291 1.00 0.00 C ATOM 1274 CG HIS A 82 1.092 -13.177 -10.490 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.382 -14.052 -9.465 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.646 -13.708 -11.605 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.082 -15.067 -9.940 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.256 -14.882 -11.236 1.00 0.00 N ATOM 0 H HIS A 82 0.582 -10.345 -12.417 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.201 -12.582 -11.667 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.997 -11.074 -10.229 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.216 -11.970 -9.336 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.614 -13.287 -12.599 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.449 -15.905 -9.366 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.761 -15.509 -11.862 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.921 -11.194 -10.514 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.015 -10.362 -10.025 1.00 0.00 C ATOM 1288 C GLN A 83 -3.647 -9.704 -8.700 1.00 0.00 C ATOM 1289 O GLN A 83 -2.970 -10.304 -7.864 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.284 -11.199 -9.858 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.539 -10.366 -9.649 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.798 -11.087 -10.090 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -7.912 -11.514 -11.239 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -8.751 -11.226 -9.176 1.00 0.00 N ATOM 0 H GLN A 83 -3.122 -12.194 -10.522 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.200 -9.578 -10.760 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.416 -11.824 -10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.158 -11.870 -9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.625 -10.104 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.447 -9.432 -10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.613 -10.856 -8.235 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.621 -11.703 -9.414 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.096 -8.468 -8.514 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.815 -7.729 -7.290 1.00 0.00 C ATOM 1305 C ILE A 84 -5.054 -6.990 -6.796 1.00 0.00 C ATOM 1306 O ILE A 84 -5.945 -6.660 -7.578 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.673 -6.715 -7.494 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.930 -5.870 -8.743 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.338 -7.435 -7.601 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.734 -4.617 -8.471 1.00 0.00 C ATOM 0 H ILE A 84 -4.656 -7.957 -9.196 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.510 -8.462 -6.543 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.637 -6.052 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.974 -5.590 -9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.456 -6.477 -9.480 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.541 -6.705 -7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.154 -7.998 -6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.361 -8.119 -8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.877 -4.068 -9.401 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.705 -4.890 -8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.200 -3.989 -7.758 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.102 -6.731 -5.493 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.230 -6.028 -4.896 1.00 0.00 C ATOM 1324 C ALA A 85 -5.756 -4.995 -3.879 1.00 0.00 C ATOM 1325 O ALA A 85 -4.819 -5.241 -3.119 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.183 -7.017 -4.241 1.00 0.00 C ATOM 0 H ALA A 85 -4.373 -6.998 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.760 -5.502 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.021 -6.477 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.556 -7.714 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.656 -7.569 -3.463 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.409 -3.837 -3.870 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.055 -2.766 -2.946 1.00 0.00 C ATOM 1334 C VAL A 86 -7.105 -2.614 -1.852 1.00 0.00 C ATOM 1335 O VAL A 86 -8.304 -2.573 -2.129 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.895 -1.421 -3.680 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.571 -1.373 -4.427 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.061 -1.192 -4.630 1.00 0.00 C ATOM 0 H VAL A 86 -7.186 -3.617 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.102 -3.040 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.895 -0.621 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.477 -0.415 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.750 -1.489 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.536 -2.180 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.932 -0.238 -5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.094 -1.995 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.993 -1.179 -4.065 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.647 -2.530 -0.608 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.547 -2.381 0.530 1.00 0.00 C ATOM 1350 C ASP A 87 -7.029 -1.321 1.497 1.00 0.00 C ATOM 1351 O ASP A 87 -5.836 -1.021 1.523 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.710 -3.717 1.257 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.654 -4.658 0.535 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -9.842 -4.304 0.381 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -8.204 -5.747 0.123 1.00 0.00 O ATOM 0 H ASP A 87 -5.658 -2.563 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.519 -2.060 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.735 -4.193 1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.083 -3.536 2.265 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.935 -0.758 2.289 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.569 0.270 3.257 1.00 0.00 C ATOM 1362 C TRP A 88 -6.837 -0.339 4.448 1.00 0.00 C ATOM 1363 O TRP A 88 -7.428 -1.066 5.246 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.816 1.015 3.737 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.168 2.195 2.883 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.347 2.411 2.229 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.332 3.320 2.589 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.295 3.603 1.546 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.070 4.180 1.752 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.033 3.685 2.953 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.550 5.379 1.274 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.518 4.876 2.478 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.276 5.712 1.646 1.00 0.00 C ATOM 0 H TRP A 88 -8.927 -0.996 2.280 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.900 0.975 2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.659 0.324 3.755 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.658 1.351 4.762 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.196 1.743 2.246 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.047 3.994 0.978 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.442 3.048 3.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.132 6.024 0.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.515 5.168 2.752 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.846 6.637 1.292 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.547 -0.039 4.561 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.736 -0.555 5.656 1.00 0.00 C ATOM 1386 C ALA A 89 -5.427 -0.345 6.999 1.00 0.00 C ATOM 1387 O ALA A 89 -5.676 -1.299 7.735 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.366 0.107 5.655 1.00 0.00 C ATOM 0 H ALA A 89 -5.042 0.559 3.907 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.609 -1.627 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.771 -0.288 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.862 -0.100 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.482 1.184 5.775 1.00 0.00 H new