USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 681 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 Single : A 43 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.23) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -7.5! C(o=-7.5!,f=-11!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 8:sc= 0.0489 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -71:sc= 0.157 USER MOD Single : A 86 HIS : no HD1:sc= -0.828 K(o=-0.83,f=-3.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.225 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 11:sc= 1.1 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.187 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.29) USER MOD Single : A 105 SER OG : rot -43:sc= 0.0421 USER MOD Single : A 108 HIS : no HD1:sc= -0.392 K(o=-0.39,f=-4.1!) USER MOD Single : A 110 GLN : amide:sc= -2.36 K(o=-2.4,f=-1.8) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc= -0.417 (180deg=-0.417) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 123 LYS NZ :NH3+ 150:sc= 1.08 (180deg=0.181) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.127 14.310 -7.036 1.00 0.00 N ATOM 136 CA ASP A 42 0.779 15.650 -6.578 1.00 0.00 C ATOM 137 C ASP A 42 1.621 16.046 -5.370 1.00 0.00 C ATOM 138 O ASP A 42 2.070 15.192 -4.605 1.00 0.00 O ATOM 139 CB ASP A 42 -0.708 15.721 -6.225 1.00 0.00 C ATOM 140 CG ASP A 42 -1.146 14.577 -5.332 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.013 13.410 -5.755 1.00 0.00 O ATOM 142 OD2 ASP A 42 -1.624 14.849 -4.210 1.00 0.00 O ATOM 0 HA ASP A 42 0.986 16.350 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.915 16.668 -5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.297 15.708 -7.142 1.00 0.00 H new ATOM 147 N HIS A 43 1.833 17.348 -5.204 1.00 0.00 N ATOM 148 CA HIS A 43 2.622 17.858 -4.088 1.00 0.00 C ATOM 149 C HIS A 43 1.982 17.486 -2.755 1.00 0.00 C ATOM 150 O HIS A 43 2.676 17.260 -1.763 1.00 0.00 O ATOM 151 CB HIS A 43 2.768 19.377 -4.192 1.00 0.00 C ATOM 152 CG HIS A 43 1.550 20.127 -3.747 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.358 20.103 -4.439 1.00 0.00 N ATOM 154 CD2 HIS A 43 1.344 20.924 -2.672 1.00 0.00 C ATOM 155 CE1 HIS A 43 -0.529 20.854 -3.810 1.00 0.00 C ATOM 156 NE2 HIS A 43 0.045 21.363 -2.735 1.00 0.00 N ATOM 0 H HIS A 43 1.470 18.069 -5.828 1.00 0.00 H new ATOM 0 HA HIS A 43 3.611 17.401 -4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.620 19.694 -3.590 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.991 19.643 -5.225 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.067 21.169 -1.908 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.549 21.023 -4.122 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.404 21.982 -2.061 1.00 0.00 H new ATOM 165 N ASP A 44 0.655 17.425 -2.738 1.00 0.00 N ATOM 166 CA ASP A 44 -0.079 17.080 -1.526 1.00 0.00 C ATOM 167 C ASP A 44 -0.358 15.582 -1.468 1.00 0.00 C ATOM 168 O ASP A 44 -1.047 15.103 -0.567 1.00 0.00 O ATOM 169 CB ASP A 44 -1.394 17.859 -1.462 1.00 0.00 C ATOM 170 CG ASP A 44 -2.235 17.477 -0.260 1.00 0.00 C ATOM 171 OD1 ASP A 44 -1.703 17.506 0.870 1.00 0.00 O ATOM 172 OD2 ASP A 44 -3.425 17.149 -0.448 1.00 0.00 O ATOM 0 H ASP A 44 0.066 17.610 -3.550 1.00 0.00 H new ATOM 0 HA ASP A 44 0.537 17.350 -0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.179 18.927 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.965 17.679 -2.373 1.00 0.00 H new ATOM 177 N ALA A 45 0.180 14.847 -2.435 1.00 0.00 N ATOM 178 CA ALA A 45 -0.010 13.403 -2.494 1.00 0.00 C ATOM 179 C ALA A 45 0.160 12.771 -1.116 1.00 0.00 C ATOM 180 O ALA A 45 0.723 13.382 -0.208 1.00 0.00 O ATOM 181 CB ALA A 45 0.962 12.782 -3.485 1.00 0.00 C ATOM 0 H ALA A 45 0.751 15.228 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.028 13.209 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.808 11.703 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.791 13.204 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.985 12.993 -3.173 1.00 0.00 H new ATOM 187 N ILE A 46 -0.329 11.544 -0.969 1.00 0.00 N ATOM 188 CA ILE A 46 -0.230 10.830 0.298 1.00 0.00 C ATOM 189 C ILE A 46 0.242 9.395 0.085 1.00 0.00 C ATOM 190 O ILE A 46 -0.039 8.784 -0.946 1.00 0.00 O ATOM 191 CB ILE A 46 -1.579 10.810 1.040 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.164 12.222 1.118 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.408 10.224 2.434 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.540 12.272 1.745 1.00 0.00 C ATOM 0 H ILE A 46 -0.797 11.024 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 46 0.501 11.364 0.905 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.273 10.180 0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.488 12.855 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.216 12.641 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.370 10.217 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.030 9.204 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.701 10.831 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.892 13.303 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.230 11.666 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.491 11.883 2.762 1.00 0.00 H new ATOM 206 N LYS A 47 0.959 8.862 1.068 1.00 0.00 N ATOM 207 CA LYS A 47 1.467 7.497 0.992 1.00 0.00 C ATOM 208 C LYS A 47 0.661 6.565 1.890 1.00 0.00 C ATOM 209 O LYS A 47 0.833 6.561 3.110 1.00 0.00 O ATOM 210 CB LYS A 47 2.944 7.458 1.391 1.00 0.00 C ATOM 211 CG LYS A 47 3.505 6.052 1.508 1.00 0.00 C ATOM 212 CD LYS A 47 4.988 6.014 1.178 1.00 0.00 C ATOM 213 CE LYS A 47 5.700 4.904 1.935 1.00 0.00 C ATOM 214 NZ LYS A 47 6.909 4.425 1.210 1.00 0.00 N ATOM 0 H LYS A 47 1.202 9.355 1.927 1.00 0.00 H new ATOM 0 HA LYS A 47 1.366 7.155 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.526 8.012 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.068 7.970 2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.347 5.679 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.964 5.386 0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.119 5.867 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.442 6.974 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.988 5.265 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.014 4.071 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.366 3.669 1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.632 4.057 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.575 5.214 1.087 1.00 0.00 H new ATOM 228 N LEU A 48 -0.216 5.775 1.281 1.00 0.00 N ATOM 229 CA LEU A 48 -1.047 4.837 2.027 1.00 0.00 C ATOM 230 C LEU A 48 -0.267 3.571 2.369 1.00 0.00 C ATOM 231 O LEU A 48 0.479 3.047 1.542 1.00 0.00 O ATOM 232 CB LEU A 48 -2.295 4.477 1.218 1.00 0.00 C ATOM 233 CG LEU A 48 -3.385 5.548 1.155 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.430 5.186 0.111 1.00 0.00 C ATOM 235 CD2 LEU A 48 -4.034 5.730 2.520 1.00 0.00 C ATOM 0 H LEU A 48 -0.370 5.765 0.273 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.350 5.318 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.988 4.239 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.728 3.570 1.640 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.923 6.492 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.197 5.960 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.955 5.107 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.888 4.231 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.807 6.496 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.481 4.788 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.279 6.036 3.244 1.00 0.00 H new ATOM 247 N PHE A 49 -0.448 3.084 3.592 1.00 0.00 N ATOM 248 CA PHE A 49 0.238 1.879 4.043 1.00 0.00 C ATOM 249 C PHE A 49 -0.764 0.788 4.410 1.00 0.00 C ATOM 250 O PHE A 49 -1.784 1.054 5.046 1.00 0.00 O ATOM 251 CB PHE A 49 1.129 2.194 5.247 1.00 0.00 C ATOM 252 CG PHE A 49 1.662 0.970 5.935 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.626 0.182 5.327 1.00 0.00 C ATOM 254 CD2 PHE A 49 1.200 0.608 7.190 1.00 0.00 C ATOM 255 CE1 PHE A 49 3.118 -0.945 5.958 1.00 0.00 C ATOM 256 CE2 PHE A 49 1.688 -0.518 7.825 1.00 0.00 C ATOM 257 CZ PHE A 49 2.649 -1.295 7.209 1.00 0.00 C ATOM 0 H PHE A 49 -1.063 3.505 4.288 1.00 0.00 H new ATOM 0 HA PHE A 49 0.860 1.517 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.966 2.810 4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.561 2.786 5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.997 0.451 4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.450 1.213 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.869 -1.551 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.318 -0.790 8.802 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.033 -2.174 7.704 1.00 0.00 H new ATOM 267 N VAL A 50 -0.466 -0.442 4.003 1.00 0.00 N ATOM 268 CA VAL A 50 -1.339 -1.574 4.289 1.00 0.00 C ATOM 269 C VAL A 50 -0.670 -2.557 5.243 1.00 0.00 C ATOM 270 O VAL A 50 0.491 -2.922 5.062 1.00 0.00 O ATOM 271 CB VAL A 50 -1.735 -2.317 2.999 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.631 -3.503 3.319 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.420 -1.367 2.027 1.00 0.00 C ATOM 0 H VAL A 50 0.373 -0.680 3.474 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.237 -1.171 4.758 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.829 -2.695 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.900 -4.015 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.101 -4.193 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.535 -3.152 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.693 -1.908 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.318 -0.958 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.740 -0.554 1.773 1.00 0.00 H new ATOM 283 N GLY A 51 -1.412 -2.983 6.261 1.00 0.00 N ATOM 284 CA GLY A 51 -0.874 -3.921 7.229 1.00 0.00 C ATOM 285 C GLY A 51 -1.736 -5.158 7.378 1.00 0.00 C ATOM 286 O GLY A 51 -1.771 -5.773 8.444 1.00 0.00 O ATOM 0 H GLY A 51 -2.375 -2.695 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.130 -4.216 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.782 -3.427 8.196 1.00 0.00 H new ATOM 290 N GLN A 52 -2.434 -5.524 6.308 1.00 0.00 N ATOM 291 CA GLN A 52 -3.302 -6.696 6.326 1.00 0.00 C ATOM 292 C GLN A 52 -3.039 -7.587 5.117 1.00 0.00 C ATOM 293 O GLN A 52 -3.972 -8.072 4.476 1.00 0.00 O ATOM 294 CB GLN A 52 -4.770 -6.268 6.350 1.00 0.00 C ATOM 295 CG GLN A 52 -5.345 -6.143 7.752 1.00 0.00 C ATOM 296 CD GLN A 52 -4.293 -5.787 8.784 1.00 0.00 C ATOM 297 OE1 GLN A 52 -3.858 -4.639 8.872 1.00 0.00 O ATOM 298 NE2 GLN A 52 -3.880 -6.772 9.572 1.00 0.00 N ATOM 0 H GLN A 52 -2.416 -5.026 5.418 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.082 -7.266 7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.869 -5.310 5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.360 -6.992 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.124 -5.380 7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.819 -7.084 8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.268 -7.709 9.464 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.174 -6.592 10.286 1.00 0.00 H new ATOM 307 N ILE A 53 -1.763 -7.798 4.810 1.00 0.00 N ATOM 308 CA ILE A 53 -1.379 -8.631 3.678 1.00 0.00 C ATOM 309 C ILE A 53 -0.829 -9.975 4.146 1.00 0.00 C ATOM 310 O ILE A 53 0.224 -10.057 4.777 1.00 0.00 O ATOM 311 CB ILE A 53 -0.322 -7.935 2.800 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.787 -6.527 2.424 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.046 -8.758 1.550 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.329 -5.635 1.926 1.00 0.00 C ATOM 0 H ILE A 53 -0.979 -7.404 5.329 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.280 -8.795 3.087 1.00 0.00 H new ATOM 0 HB ILE A 53 0.604 -7.852 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.554 -6.600 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.252 -6.062 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.703 -8.253 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.323 -9.743 1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.966 -8.869 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.073 -4.653 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.086 -5.531 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.779 -6.077 1.037 1.00 0.00 H new ATOM 326 N PRO A 54 -1.558 -11.055 3.828 1.00 0.00 N ATOM 327 CA PRO A 54 -1.162 -12.415 4.204 1.00 0.00 C ATOM 328 C PRO A 54 0.064 -12.896 3.435 1.00 0.00 C ATOM 329 O PRO A 54 0.713 -12.118 2.734 1.00 0.00 O ATOM 330 CB PRO A 54 -2.387 -13.256 3.835 1.00 0.00 C ATOM 331 CG PRO A 54 -3.069 -12.481 2.760 1.00 0.00 C ATOM 332 CD PRO A 54 -2.824 -11.031 3.076 1.00 0.00 C ATOM 0 HA PRO A 54 -0.882 -12.481 5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.096 -14.247 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.041 -13.401 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.670 -12.740 1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.136 -12.701 2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.742 -10.431 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.635 -10.606 3.668 1.00 0.00 H new ATOM 340 N ARG A 55 0.376 -14.180 3.571 1.00 0.00 N ATOM 341 CA ARG A 55 1.526 -14.763 2.890 1.00 0.00 C ATOM 342 C ARG A 55 1.084 -15.580 1.679 1.00 0.00 C ATOM 343 O ARG A 55 0.309 -16.527 1.806 1.00 0.00 O ATOM 344 CB ARG A 55 2.321 -15.648 3.852 1.00 0.00 C ATOM 345 CG ARG A 55 3.714 -15.994 3.351 1.00 0.00 C ATOM 346 CD ARG A 55 3.703 -17.257 2.504 1.00 0.00 C ATOM 347 NE ARG A 55 4.997 -17.505 1.875 1.00 0.00 N ATOM 348 CZ ARG A 55 6.030 -18.051 2.508 1.00 0.00 C ATOM 349 NH1 ARG A 55 5.919 -18.403 3.782 1.00 0.00 N ATOM 350 NH2 ARG A 55 7.175 -18.245 1.868 1.00 0.00 N ATOM 0 H ARG A 55 -0.151 -14.837 4.146 1.00 0.00 H new ATOM 0 HA ARG A 55 2.163 -13.949 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.405 -15.141 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.767 -16.570 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.107 -15.164 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.384 -16.130 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.434 -18.109 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.936 -17.171 1.734 1.00 0.00 H new ATOM 0 HE ARG A 55 5.115 -17.245 0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.040 -18.255 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.713 -18.822 4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.264 -17.975 0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.967 -18.664 2.355 1.00 0.00 H new ATOM 364 N GLY A 56 1.582 -15.205 0.505 1.00 0.00 N ATOM 365 CA GLY A 56 1.226 -15.912 -0.712 1.00 0.00 C ATOM 366 C GLY A 56 0.880 -14.972 -1.849 1.00 0.00 C ATOM 367 O GLY A 56 1.048 -15.313 -3.020 1.00 0.00 O ATOM 0 H GLY A 56 2.226 -14.424 0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.056 -16.551 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.376 -16.565 -0.514 1.00 0.00 H new ATOM 371 N LEU A 57 0.393 -13.785 -1.505 1.00 0.00 N ATOM 372 CA LEU A 57 0.019 -12.792 -2.507 1.00 0.00 C ATOM 373 C LEU A 57 1.108 -11.734 -2.657 1.00 0.00 C ATOM 374 O LEU A 57 1.917 -11.528 -1.752 1.00 0.00 O ATOM 375 CB LEU A 57 -1.304 -12.126 -2.125 1.00 0.00 C ATOM 376 CG LEU A 57 -2.465 -13.071 -1.813 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.689 -12.285 -1.369 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.793 -13.932 -3.024 1.00 0.00 C ATOM 0 H LEU A 57 0.248 -13.486 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.101 -13.303 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.132 -11.494 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.606 -11.469 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.164 -13.727 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.505 -12.974 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.449 -11.713 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.992 -11.604 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.622 -14.598 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.073 -13.292 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.919 -14.524 -3.297 1.00 0.00 H new ATOM 390 N ASP A 58 1.121 -11.066 -3.805 1.00 0.00 N ATOM 391 CA ASP A 58 2.109 -10.027 -4.074 1.00 0.00 C ATOM 392 C ASP A 58 1.443 -8.779 -4.645 1.00 0.00 C ATOM 393 O ASP A 58 0.218 -8.707 -4.741 1.00 0.00 O ATOM 394 CB ASP A 58 3.172 -10.543 -5.045 1.00 0.00 C ATOM 395 CG ASP A 58 3.701 -11.908 -4.652 1.00 0.00 C ATOM 396 OD1 ASP A 58 4.446 -11.991 -3.654 1.00 0.00 O ATOM 397 OD2 ASP A 58 3.370 -12.894 -5.344 1.00 0.00 O ATOM 0 H ASP A 58 0.459 -11.225 -4.564 1.00 0.00 H new ATOM 0 HA ASP A 58 2.588 -9.762 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.749 -10.596 -6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.999 -9.834 -5.085 1.00 0.00 H new ATOM 402 N GLU A 59 2.258 -7.798 -5.021 1.00 0.00 N ATOM 403 CA GLU A 59 1.747 -6.553 -5.580 1.00 0.00 C ATOM 404 C GLU A 59 0.876 -6.823 -6.804 1.00 0.00 C ATOM 405 O GLU A 59 0.082 -5.976 -7.212 1.00 0.00 O ATOM 406 CB GLU A 59 2.904 -5.625 -5.958 1.00 0.00 C ATOM 407 CG GLU A 59 3.857 -5.342 -4.810 1.00 0.00 C ATOM 408 CD GLU A 59 5.207 -4.839 -5.283 1.00 0.00 C ATOM 409 OE1 GLU A 59 5.257 -4.177 -6.340 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.214 -5.107 -4.594 1.00 0.00 O ATOM 0 H GLU A 59 3.274 -7.842 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 59 1.135 -6.068 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.462 -6.071 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.498 -4.682 -6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.410 -4.602 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.997 -6.252 -4.226 1.00 0.00 H new ATOM 417 N GLN A 60 1.033 -8.008 -7.385 1.00 0.00 N ATOM 418 CA GLN A 60 0.263 -8.389 -8.562 1.00 0.00 C ATOM 419 C GLN A 60 -1.189 -8.674 -8.194 1.00 0.00 C ATOM 420 O GLN A 60 -2.075 -8.642 -9.049 1.00 0.00 O ATOM 421 CB GLN A 60 0.883 -9.619 -9.227 1.00 0.00 C ATOM 422 CG GLN A 60 1.992 -9.284 -10.212 1.00 0.00 C ATOM 423 CD GLN A 60 2.612 -10.519 -10.836 1.00 0.00 C ATOM 424 OE1 GLN A 60 1.906 -11.428 -11.274 1.00 0.00 O ATOM 425 NE2 GLN A 60 3.938 -10.559 -10.879 1.00 0.00 N ATOM 0 H GLN A 60 1.686 -8.720 -7.060 1.00 0.00 H new ATOM 0 HA GLN A 60 0.284 -7.555 -9.264 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.281 -10.277 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.102 -10.173 -9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.592 -8.645 -11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.766 -8.712 -9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.484 -9.783 -10.504 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.411 -11.365 -11.287 1.00 0.00 H new ATOM 434 N ASP A 61 -1.427 -8.953 -6.917 1.00 0.00 N ATOM 435 CA ASP A 61 -2.772 -9.243 -6.435 1.00 0.00 C ATOM 436 C ASP A 61 -3.357 -8.041 -5.700 1.00 0.00 C ATOM 437 O ASP A 61 -4.562 -7.977 -5.453 1.00 0.00 O ATOM 438 CB ASP A 61 -2.754 -10.462 -5.511 1.00 0.00 C ATOM 439 CG ASP A 61 -4.140 -11.029 -5.273 1.00 0.00 C ATOM 440 OD1 ASP A 61 -4.850 -11.295 -6.266 1.00 0.00 O ATOM 441 OD2 ASP A 61 -4.514 -11.207 -4.096 1.00 0.00 O ATOM 0 H ASP A 61 -0.705 -8.984 -6.197 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.401 -9.460 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.119 -11.234 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.310 -10.183 -4.555 1.00 0.00 H new ATOM 446 N LEU A 62 -2.497 -7.090 -5.354 1.00 0.00 N ATOM 447 CA LEU A 62 -2.928 -5.889 -4.646 1.00 0.00 C ATOM 448 C LEU A 62 -3.235 -4.761 -5.626 1.00 0.00 C ATOM 449 O LEU A 62 -4.095 -3.918 -5.369 1.00 0.00 O ATOM 450 CB LEU A 62 -1.850 -5.442 -3.657 1.00 0.00 C ATOM 451 CG LEU A 62 -1.498 -6.439 -2.552 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.272 -5.972 -1.782 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.679 -6.632 -1.612 1.00 0.00 C ATOM 0 H LEU A 62 -1.497 -7.127 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.839 -6.127 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.943 -5.216 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.176 -4.513 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.267 -7.398 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.037 -6.694 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.575 -5.886 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.474 -5.001 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.411 -7.345 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.941 -5.677 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.532 -7.013 -2.173 1.00 0.00 H new ATOM 465 N LYS A 63 -2.526 -4.751 -6.750 1.00 0.00 N ATOM 466 CA LYS A 63 -2.725 -3.729 -7.771 1.00 0.00 C ATOM 467 C LYS A 63 -4.183 -3.678 -8.214 1.00 0.00 C ATOM 468 O LYS A 63 -4.781 -2.609 -8.341 1.00 0.00 O ATOM 469 CB LYS A 63 -1.823 -4.002 -8.977 1.00 0.00 C ATOM 470 CG LYS A 63 -1.362 -2.743 -9.689 1.00 0.00 C ATOM 471 CD LYS A 63 -0.103 -2.992 -10.503 1.00 0.00 C ATOM 472 CE LYS A 63 1.125 -3.095 -9.611 1.00 0.00 C ATOM 473 NZ LYS A 63 2.348 -3.435 -10.390 1.00 0.00 N ATOM 0 H LYS A 63 -1.808 -5.439 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.462 -2.763 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.949 -4.563 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.359 -4.634 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.155 -2.384 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.174 -1.958 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.215 -3.912 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.034 -2.183 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.277 -2.149 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.957 -3.855 -8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.163 -3.496 -9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.213 -4.350 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.523 -2.697 -11.101 1.00 0.00 H new ATOM 487 N PRO A 64 -4.771 -4.859 -8.453 1.00 0.00 N ATOM 488 CA PRO A 64 -6.168 -4.976 -8.884 1.00 0.00 C ATOM 489 C PRO A 64 -7.110 -4.133 -8.030 1.00 0.00 C ATOM 490 O PRO A 64 -7.862 -3.306 -8.549 1.00 0.00 O ATOM 491 CB PRO A 64 -6.472 -6.465 -8.704 1.00 0.00 C ATOM 492 CG PRO A 64 -5.148 -7.139 -8.823 1.00 0.00 C ATOM 493 CD PRO A 64 -4.119 -6.173 -8.322 1.00 0.00 C ATOM 0 HA PRO A 64 -6.311 -4.618 -9.904 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.930 -6.661 -7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.168 -6.822 -9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.130 -8.059 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.947 -7.414 -9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.846 -6.382 -7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.203 -6.225 -8.910 1.00 0.00 H new ATOM 501 N LEU A 65 -7.063 -4.346 -6.720 1.00 0.00 N ATOM 502 CA LEU A 65 -7.913 -3.605 -5.794 1.00 0.00 C ATOM 503 C LEU A 65 -7.592 -2.115 -5.835 1.00 0.00 C ATOM 504 O LEU A 65 -8.486 -1.281 -5.981 1.00 0.00 O ATOM 505 CB LEU A 65 -7.735 -4.138 -4.371 1.00 0.00 C ATOM 506 CG LEU A 65 -8.495 -5.421 -4.034 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.089 -5.938 -2.663 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.996 -5.183 -4.094 1.00 0.00 C ATOM 0 H LEU A 65 -6.446 -5.025 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.950 -3.743 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.673 -4.314 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.046 -3.361 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.238 -6.178 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.640 -6.852 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.020 -6.149 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.316 -5.185 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.521 -6.107 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.271 -4.410 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.273 -4.861 -5.098 1.00 0.00 H new ATOM 520 N PHE A 66 -6.311 -1.786 -5.707 1.00 0.00 N ATOM 521 CA PHE A 66 -5.872 -0.396 -5.731 1.00 0.00 C ATOM 522 C PHE A 66 -6.213 0.259 -7.067 1.00 0.00 C ATOM 523 O PHE A 66 -6.378 1.476 -7.149 1.00 0.00 O ATOM 524 CB PHE A 66 -4.366 -0.310 -5.478 1.00 0.00 C ATOM 525 CG PHE A 66 -3.946 -0.889 -4.157 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.728 -0.711 -3.027 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.770 -1.613 -4.045 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.344 -1.242 -1.811 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.381 -2.147 -2.831 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.170 -1.962 -1.713 1.00 0.00 C ATOM 0 H PHE A 66 -5.558 -2.464 -5.586 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.397 0.138 -4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.841 -0.832 -6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.057 0.734 -5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.648 -0.151 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.150 -1.762 -4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.962 -1.094 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.461 -2.708 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.869 -2.380 -0.764 1.00 0.00 H new ATOM 540 N GLU A 67 -6.315 -0.558 -8.111 1.00 0.00 N ATOM 541 CA GLU A 67 -6.634 -0.057 -9.443 1.00 0.00 C ATOM 542 C GLU A 67 -8.141 0.117 -9.612 1.00 0.00 C ATOM 543 O GLU A 67 -8.609 0.578 -10.652 1.00 0.00 O ATOM 544 CB GLU A 67 -6.097 -1.011 -10.512 1.00 0.00 C ATOM 545 CG GLU A 67 -4.641 -0.767 -10.870 1.00 0.00 C ATOM 546 CD GLU A 67 -4.262 -1.362 -12.212 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.682 -2.504 -12.493 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.546 -0.686 -12.980 1.00 0.00 O ATOM 0 H GLU A 67 -6.182 -1.568 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.158 0.916 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.209 -2.037 -10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.705 -0.914 -11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.450 0.306 -10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.004 -1.193 -10.095 1.00 0.00 H new ATOM 555 N GLU A 68 -8.893 -0.255 -8.581 1.00 0.00 N ATOM 556 CA GLU A 68 -10.346 -0.141 -8.616 1.00 0.00 C ATOM 557 C GLU A 68 -10.791 1.264 -8.222 1.00 0.00 C ATOM 558 O GLU A 68 -11.894 1.696 -8.560 1.00 0.00 O ATOM 559 CB GLU A 68 -10.984 -1.171 -7.681 1.00 0.00 C ATOM 560 CG GLU A 68 -12.476 -1.354 -7.904 1.00 0.00 C ATOM 561 CD GLU A 68 -13.181 -1.925 -6.689 1.00 0.00 C ATOM 562 OE1 GLU A 68 -13.130 -3.159 -6.500 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.784 -1.140 -5.928 1.00 0.00 O ATOM 0 H GLU A 68 -8.520 -0.638 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.675 -0.335 -9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.485 -2.130 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.814 -0.866 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.922 -0.393 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.634 -2.016 -8.756 1.00 0.00 H new ATOM 570 N PHE A 69 -9.926 1.973 -7.504 1.00 0.00 N ATOM 571 CA PHE A 69 -10.230 3.329 -7.062 1.00 0.00 C ATOM 572 C PHE A 69 -9.512 4.358 -7.930 1.00 0.00 C ATOM 573 O PHE A 69 -10.069 5.403 -8.262 1.00 0.00 O ATOM 574 CB PHE A 69 -9.828 3.512 -5.597 1.00 0.00 C ATOM 575 CG PHE A 69 -10.484 2.531 -4.668 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.769 2.753 -4.199 1.00 0.00 C ATOM 577 CD2 PHE A 69 -9.816 1.386 -4.264 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.374 1.852 -3.344 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.417 0.481 -3.409 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.698 0.714 -2.949 1.00 0.00 C ATOM 0 H PHE A 69 -9.009 1.631 -7.216 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.305 3.484 -7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.746 3.414 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.083 4.524 -5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.303 3.640 -4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.814 1.198 -4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.375 2.037 -2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.885 -0.407 -3.101 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.170 0.008 -2.282 1.00 0.00 H new ATOM 590 N GLY A 70 -8.270 4.053 -8.294 1.00 0.00 N ATOM 591 CA GLY A 70 -7.495 4.961 -9.120 1.00 0.00 C ATOM 592 C GLY A 70 -6.182 4.354 -9.573 1.00 0.00 C ATOM 593 O GLY A 70 -5.819 3.257 -9.150 1.00 0.00 O ATOM 0 H GLY A 70 -7.787 3.194 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.082 5.243 -9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.296 5.875 -8.561 1.00 0.00 H new ATOM 597 N ARG A 71 -5.469 5.069 -10.437 1.00 0.00 N ATOM 598 CA ARG A 71 -4.190 4.594 -10.950 1.00 0.00 C ATOM 599 C ARG A 71 -3.098 4.721 -9.892 1.00 0.00 C ATOM 600 O ARG A 71 -2.906 5.789 -9.310 1.00 0.00 O ATOM 601 CB ARG A 71 -3.795 5.378 -12.203 1.00 0.00 C ATOM 602 CG ARG A 71 -2.615 4.779 -12.950 1.00 0.00 C ATOM 603 CD ARG A 71 -2.697 5.065 -14.441 1.00 0.00 C ATOM 604 NE ARG A 71 -3.428 4.024 -15.159 1.00 0.00 N ATOM 605 CZ ARG A 71 -3.852 4.155 -16.411 1.00 0.00 C ATOM 606 NH1 ARG A 71 -3.620 5.275 -17.080 1.00 0.00 N ATOM 607 NH2 ARG A 71 -4.511 3.162 -16.996 1.00 0.00 N ATOM 0 H ARG A 71 -5.756 5.980 -10.796 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.300 3.541 -11.209 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.652 5.428 -12.875 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.552 6.402 -11.919 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.686 5.186 -12.551 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.588 3.702 -12.786 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.186 6.026 -14.599 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.690 5.149 -14.850 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.623 3.149 -14.673 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.114 6.040 -16.634 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.947 5.372 -18.041 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.692 2.298 -16.484 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.837 3.263 -17.957 1.00 0.00 H new ATOM 621 N ILE A 72 -2.386 3.625 -9.648 1.00 0.00 N ATOM 622 CA ILE A 72 -1.314 3.615 -8.661 1.00 0.00 C ATOM 623 C ILE A 72 -0.079 4.342 -9.183 1.00 0.00 C ATOM 624 O ILE A 72 0.151 4.407 -10.391 1.00 0.00 O ATOM 625 CB ILE A 72 -0.923 2.178 -8.269 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.101 1.472 -7.594 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.291 2.191 -7.352 1.00 0.00 C ATOM 628 CD1 ILE A 72 -1.907 -0.021 -7.449 1.00 0.00 C ATOM 0 H ILE A 72 -2.533 2.733 -10.121 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.692 4.133 -7.780 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.664 1.628 -9.174 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.258 1.907 -6.607 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.006 1.658 -8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.555 1.168 -7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.130 2.660 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.058 2.755 -6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.780 -0.456 -6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.780 -0.469 -8.435 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.021 -0.216 -6.845 1.00 0.00 H new ATOM 640 N TYR A 73 0.712 4.885 -8.265 1.00 0.00 N ATOM 641 CA TYR A 73 1.924 5.608 -8.633 1.00 0.00 C ATOM 642 C TYR A 73 3.168 4.786 -8.310 1.00 0.00 C ATOM 643 O TYR A 73 4.105 4.721 -9.104 1.00 0.00 O ATOM 644 CB TYR A 73 1.983 6.951 -7.903 1.00 0.00 C ATOM 645 CG TYR A 73 3.194 7.782 -8.262 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.464 7.419 -7.830 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.069 8.932 -9.032 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.573 8.176 -8.154 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.172 9.694 -9.363 1.00 0.00 C ATOM 650 CZ TYR A 73 5.422 9.312 -8.922 1.00 0.00 C ATOM 651 OH TYR A 73 6.524 10.069 -9.248 1.00 0.00 O ATOM 0 H TYR A 73 0.536 4.839 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 73 1.898 5.787 -9.708 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.082 7.520 -8.132 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.982 6.771 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.586 6.529 -7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.092 9.235 -9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.552 7.880 -7.808 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.057 10.584 -9.964 1.00 0.00 H new ATOM 0 HH TYR A 73 6.246 10.834 -9.794 1.00 0.00 H new ATOM 661 N GLU A 74 3.167 4.158 -7.138 1.00 0.00 N ATOM 662 CA GLU A 74 4.295 3.340 -6.709 1.00 0.00 C ATOM 663 C GLU A 74 3.867 2.344 -5.635 1.00 0.00 C ATOM 664 O GLU A 74 3.423 2.732 -4.553 1.00 0.00 O ATOM 665 CB GLU A 74 5.424 4.226 -6.178 1.00 0.00 C ATOM 666 CG GLU A 74 6.531 3.451 -5.484 1.00 0.00 C ATOM 667 CD GLU A 74 7.733 4.316 -5.158 1.00 0.00 C ATOM 668 OE1 GLU A 74 8.602 4.481 -6.039 1.00 0.00 O ATOM 669 OE2 GLU A 74 7.804 4.827 -4.021 1.00 0.00 O ATOM 0 H GLU A 74 2.398 4.200 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 74 4.656 2.783 -7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.852 4.790 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.007 4.952 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.142 3.014 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.845 2.624 -6.121 1.00 0.00 H new ATOM 676 N LEU A 75 4.003 1.058 -5.941 1.00 0.00 N ATOM 677 CA LEU A 75 3.631 0.005 -5.003 1.00 0.00 C ATOM 678 C LEU A 75 4.838 -0.855 -4.643 1.00 0.00 C ATOM 679 O LEU A 75 5.523 -1.381 -5.520 1.00 0.00 O ATOM 680 CB LEU A 75 2.526 -0.869 -5.599 1.00 0.00 C ATOM 681 CG LEU A 75 2.001 -1.991 -4.703 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.686 -1.461 -3.313 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.769 -2.635 -5.322 1.00 0.00 C ATOM 0 H LEU A 75 4.368 0.720 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 75 3.261 0.477 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.689 -0.226 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.899 -1.313 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 75 2.777 -2.751 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.314 -2.274 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.591 -1.047 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.927 -0.681 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.409 -3.431 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.012 -1.884 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.026 -3.051 -6.296 1.00 0.00 H new ATOM 695 N THR A 76 5.091 -0.997 -3.346 1.00 0.00 N ATOM 696 CA THR A 76 6.214 -1.795 -2.869 1.00 0.00 C ATOM 697 C THR A 76 5.849 -2.555 -1.600 1.00 0.00 C ATOM 698 O THR A 76 5.326 -1.978 -0.647 1.00 0.00 O ATOM 699 CB THR A 76 7.449 -0.916 -2.591 1.00 0.00 C ATOM 700 OG1 THR A 76 8.086 -0.561 -3.823 1.00 0.00 O ATOM 701 CG2 THR A 76 8.439 -1.644 -1.694 1.00 0.00 C ATOM 0 H THR A 76 4.533 -0.570 -2.607 1.00 0.00 H new ATOM 0 HA THR A 76 6.454 -2.507 -3.659 1.00 0.00 H new ATOM 0 HB THR A 76 7.117 -0.012 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.525 -0.845 -4.575 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.303 -1.005 -1.511 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.960 -1.887 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.765 -2.563 -2.182 1.00 0.00 H new ATOM 709 N VAL A 77 6.129 -3.855 -1.593 1.00 0.00 N ATOM 710 CA VAL A 77 5.831 -4.695 -0.439 1.00 0.00 C ATOM 711 C VAL A 77 7.040 -4.811 0.483 1.00 0.00 C ATOM 712 O VAL A 77 8.165 -5.019 0.026 1.00 0.00 O ATOM 713 CB VAL A 77 5.391 -6.106 -0.871 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.174 -6.994 0.346 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.131 -6.034 -1.720 1.00 0.00 C ATOM 0 H VAL A 77 6.562 -4.349 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 77 5.013 -4.216 0.099 1.00 0.00 H new ATOM 0 HB VAL A 77 6.184 -6.546 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.863 -7.987 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.103 -7.071 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.400 -6.561 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.834 -7.040 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.329 -5.574 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.326 -5.436 -2.610 1.00 0.00 H new ATOM 725 N LEU A 78 6.801 -4.677 1.782 1.00 0.00 N ATOM 726 CA LEU A 78 7.871 -4.768 2.770 1.00 0.00 C ATOM 727 C LEU A 78 8.178 -6.223 3.108 1.00 0.00 C ATOM 728 O LEU A 78 7.273 -7.050 3.222 1.00 0.00 O ATOM 729 CB LEU A 78 7.485 -4.008 4.040 1.00 0.00 C ATOM 730 CG LEU A 78 7.564 -2.483 3.960 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.546 -1.846 4.893 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.969 -2.003 4.294 1.00 0.00 C ATOM 0 H LEU A 78 5.876 -4.505 2.176 1.00 0.00 H new ATOM 0 HA LEU A 78 8.766 -4.317 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.466 -4.285 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.132 -4.343 4.851 1.00 0.00 H new ATOM 0 HG LEU A 78 7.331 -2.180 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.617 -0.761 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.543 -2.163 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.747 -2.157 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.006 -0.915 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.231 -2.318 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.678 -2.431 3.585 1.00 0.00 H new ATOM 744 N LYS A 79 9.461 -6.529 3.270 1.00 0.00 N ATOM 745 CA LYS A 79 9.889 -7.884 3.599 1.00 0.00 C ATOM 746 C LYS A 79 11.017 -7.864 4.625 1.00 0.00 C ATOM 747 O LYS A 79 11.763 -6.890 4.723 1.00 0.00 O ATOM 748 CB LYS A 79 10.347 -8.617 2.336 1.00 0.00 C ATOM 749 CG LYS A 79 9.205 -9.208 1.527 1.00 0.00 C ATOM 750 CD LYS A 79 9.698 -9.803 0.219 1.00 0.00 C ATOM 751 CE LYS A 79 8.613 -9.784 -0.846 1.00 0.00 C ATOM 752 NZ LYS A 79 8.977 -10.618 -2.025 1.00 0.00 N ATOM 0 H LYS A 79 10.223 -5.857 3.179 1.00 0.00 H new ATOM 0 HA LYS A 79 9.039 -8.412 4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.906 -7.924 1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.033 -9.416 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.704 -9.979 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.466 -8.434 1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.564 -9.243 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.028 -10.829 0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.679 -10.148 -0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.438 -8.757 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.211 -10.578 -2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.855 -10.256 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.119 -11.603 -1.723 1.00 0.00 H new ATOM 766 N ASP A 80 11.136 -8.945 5.388 1.00 0.00 N ATOM 767 CA ASP A 80 12.175 -9.053 6.405 1.00 0.00 C ATOM 768 C ASP A 80 13.562 -8.939 5.780 1.00 0.00 C ATOM 769 O ASP A 80 13.699 -8.868 4.559 1.00 0.00 O ATOM 770 CB ASP A 80 12.048 -10.379 7.156 1.00 0.00 C ATOM 771 CG ASP A 80 12.565 -10.291 8.579 1.00 0.00 C ATOM 772 OD1 ASP A 80 12.161 -9.355 9.300 1.00 0.00 O ATOM 773 OD2 ASP A 80 13.373 -11.158 8.970 1.00 0.00 O ATOM 0 H ASP A 80 10.525 -9.759 5.321 1.00 0.00 H new ATOM 0 HA ASP A 80 12.045 -8.232 7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.002 -10.686 7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.599 -11.151 6.619 1.00 0.00 H new ATOM 778 N ARG A 81 14.587 -8.922 6.626 1.00 0.00 N ATOM 779 CA ARG A 81 15.963 -8.814 6.156 1.00 0.00 C ATOM 780 C ARG A 81 16.711 -10.128 6.360 1.00 0.00 C ATOM 781 O ARG A 81 17.472 -10.562 5.494 1.00 0.00 O ATOM 782 CB ARG A 81 16.687 -7.683 6.889 1.00 0.00 C ATOM 783 CG ARG A 81 17.981 -7.252 6.217 1.00 0.00 C ATOM 784 CD ARG A 81 18.623 -6.081 6.944 1.00 0.00 C ATOM 785 NE ARG A 81 19.240 -6.490 8.202 1.00 0.00 N ATOM 786 CZ ARG A 81 19.679 -5.633 9.118 1.00 0.00 C ATOM 787 NH1 ARG A 81 19.569 -4.328 8.916 1.00 0.00 N ATOM 788 NH2 ARG A 81 20.230 -6.082 10.238 1.00 0.00 N ATOM 0 H ARG A 81 14.491 -8.982 7.640 1.00 0.00 H new ATOM 0 HA ARG A 81 15.940 -8.590 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.021 -6.823 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 81 16.906 -8.003 7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.676 -8.091 6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.780 -6.973 5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 81 19.377 -5.625 6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.869 -5.319 7.141 1.00 0.00 H new ATOM 0 HE ARG A 81 19.340 -7.488 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.147 -3.979 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 81 19.907 -3.673 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 81 20.317 -7.086 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 81 20.567 -5.423 10.940 1.00 0.00 H new ATOM 802 N LEU A 82 16.490 -10.757 7.509 1.00 0.00 N ATOM 803 CA LEU A 82 17.143 -12.022 7.828 1.00 0.00 C ATOM 804 C LEU A 82 16.492 -13.176 7.073 1.00 0.00 C ATOM 805 O LEU A 82 17.175 -14.075 6.580 1.00 0.00 O ATOM 806 CB LEU A 82 17.085 -12.284 9.333 1.00 0.00 C ATOM 807 CG LEU A 82 18.084 -11.505 10.190 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.500 -10.163 10.604 1.00 0.00 C ATOM 809 CD2 LEU A 82 18.482 -12.316 11.414 1.00 0.00 C ATOM 0 H LEU A 82 15.863 -10.412 8.236 1.00 0.00 H new ATOM 0 HA LEU A 82 18.186 -11.952 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.079 -12.053 9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.245 -13.349 9.502 1.00 0.00 H new ATOM 0 HG LEU A 82 18.978 -11.320 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.225 -9.623 11.213 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.266 -9.578 9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.590 -10.325 11.182 1.00 0.00 H new ATOM 0 HD21 LEU A 82 19.193 -11.746 12.012 1.00 0.00 H new ATOM 0 HD22 LEU A 82 17.596 -12.532 12.011 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.942 -13.252 11.097 1.00 0.00 H new ATOM 821 N THR A 83 15.166 -13.145 6.984 1.00 0.00 N ATOM 822 CA THR A 83 14.422 -14.187 6.288 1.00 0.00 C ATOM 823 C THR A 83 14.012 -13.732 4.893 1.00 0.00 C ATOM 824 O THR A 83 13.858 -14.547 3.984 1.00 0.00 O ATOM 825 CB THR A 83 13.162 -14.597 7.074 1.00 0.00 C ATOM 826 OG1 THR A 83 12.351 -13.446 7.334 1.00 0.00 O ATOM 827 CG2 THR A 83 13.537 -15.267 8.387 1.00 0.00 C ATOM 0 H THR A 83 14.585 -12.409 7.386 1.00 0.00 H new ATOM 0 HA THR A 83 15.086 -15.048 6.205 1.00 0.00 H new ATOM 0 HB THR A 83 12.599 -15.308 6.470 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.794 -12.877 7.997 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.631 -15.547 8.924 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.129 -16.159 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.120 -14.575 8.995 1.00 0.00 H new ATOM 835 N GLY A 84 13.835 -12.424 4.730 1.00 0.00 N ATOM 836 CA GLY A 84 13.445 -11.884 3.441 1.00 0.00 C ATOM 837 C GLY A 84 12.069 -12.351 3.009 1.00 0.00 C ATOM 838 O GLY A 84 11.718 -12.268 1.831 1.00 0.00 O ATOM 0 H GLY A 84 13.955 -11.729 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.458 -10.795 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.178 -12.179 2.690 1.00 0.00 H new ATOM 842 N LEU A 85 11.287 -12.845 3.963 1.00 0.00 N ATOM 843 CA LEU A 85 9.942 -13.329 3.675 1.00 0.00 C ATOM 844 C LEU A 85 8.925 -12.195 3.760 1.00 0.00 C ATOM 845 O LEU A 85 9.252 -11.084 4.179 1.00 0.00 O ATOM 846 CB LEU A 85 9.561 -14.446 4.649 1.00 0.00 C ATOM 847 CG LEU A 85 10.389 -15.728 4.556 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.154 -16.604 5.777 1.00 0.00 C ATOM 849 CD2 LEU A 85 10.055 -16.487 3.281 1.00 0.00 C ATOM 0 H LEU A 85 11.562 -12.921 4.942 1.00 0.00 H new ATOM 0 HA LEU A 85 9.934 -13.723 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.641 -14.058 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.514 -14.701 4.487 1.00 0.00 H new ATOM 0 HG LEU A 85 11.444 -15.456 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.751 -17.512 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.444 -16.060 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.098 -16.868 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.654 -17.397 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.997 -16.749 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.275 -15.861 2.416 1.00 0.00 H new ATOM 861 N HIS A 86 7.690 -12.484 3.363 1.00 0.00 N ATOM 862 CA HIS A 86 6.623 -11.489 3.398 1.00 0.00 C ATOM 863 C HIS A 86 6.221 -11.174 4.835 1.00 0.00 C ATOM 864 O HIS A 86 5.535 -11.962 5.486 1.00 0.00 O ATOM 865 CB HIS A 86 5.409 -11.985 2.613 1.00 0.00 C ATOM 866 CG HIS A 86 4.503 -10.885 2.152 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.005 -9.917 2.997 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.008 -10.602 0.924 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.241 -9.086 2.310 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.226 -9.480 1.050 1.00 0.00 N ATOM 0 H HIS A 86 7.403 -13.398 3.013 1.00 0.00 H new ATOM 0 HA HIS A 86 6.996 -10.575 2.936 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.753 -12.549 1.746 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.841 -12.675 3.237 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.193 -11.155 0.015 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.718 -8.230 2.711 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.716 -9.025 0.293 1.00 0.00 H new ATOM 879 N LYS A 87 6.652 -10.016 5.325 1.00 0.00 N ATOM 880 CA LYS A 87 6.337 -9.595 6.685 1.00 0.00 C ATOM 881 C LYS A 87 4.828 -9.510 6.892 1.00 0.00 C ATOM 882 O LYS A 87 4.298 -10.021 7.877 1.00 0.00 O ATOM 883 CB LYS A 87 6.981 -8.240 6.983 1.00 0.00 C ATOM 884 CG LYS A 87 8.427 -8.340 7.438 1.00 0.00 C ATOM 885 CD LYS A 87 9.183 -7.047 7.182 1.00 0.00 C ATOM 886 CE LYS A 87 8.697 -5.928 8.091 1.00 0.00 C ATOM 887 NZ LYS A 87 9.668 -4.801 8.151 1.00 0.00 N ATOM 0 H LYS A 87 7.221 -9.352 4.800 1.00 0.00 H new ATOM 0 HA LYS A 87 6.739 -10.340 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.933 -7.620 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.401 -7.733 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.459 -8.577 8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.918 -9.160 6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.249 -7.210 7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.058 -6.751 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.736 -5.560 7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.534 -6.320 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.300 -4.059 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.578 -5.146 8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.805 -4.409 7.197 1.00 0.00 H new ATOM 901 N GLY A 88 4.142 -8.862 5.955 1.00 0.00 N ATOM 902 CA GLY A 88 2.701 -8.723 6.054 1.00 0.00 C ATOM 903 C GLY A 88 2.247 -7.283 5.919 1.00 0.00 C ATOM 904 O GLY A 88 1.374 -6.829 6.660 1.00 0.00 O ATOM 0 H GLY A 88 4.559 -8.431 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.227 -9.324 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.366 -9.118 7.013 1.00 0.00 H new ATOM 908 N CYS A 89 2.839 -6.564 4.973 1.00 0.00 N ATOM 909 CA CYS A 89 2.492 -5.166 4.745 1.00 0.00 C ATOM 910 C CYS A 89 3.134 -4.648 3.461 1.00 0.00 C ATOM 911 O CYS A 89 4.073 -5.249 2.939 1.00 0.00 O ATOM 912 CB CYS A 89 2.934 -4.309 5.932 1.00 0.00 C ATOM 913 SG CYS A 89 4.646 -4.585 6.445 1.00 0.00 S ATOM 0 H CYS A 89 3.562 -6.926 4.351 1.00 0.00 H new ATOM 0 HA CYS A 89 1.409 -5.099 4.641 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.808 -3.257 5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.276 -4.511 6.777 1.00 0.00 H new ATOM 0 HG CYS A 89 4.927 -3.814 7.453 1.00 0.00 H new ATOM 919 N ALA A 90 2.620 -3.531 2.957 1.00 0.00 N ATOM 920 CA ALA A 90 3.143 -2.933 1.735 1.00 0.00 C ATOM 921 C ALA A 90 2.787 -1.452 1.653 1.00 0.00 C ATOM 922 O ALA A 90 1.709 -1.038 2.081 1.00 0.00 O ATOM 923 CB ALA A 90 2.613 -3.674 0.516 1.00 0.00 C ATOM 0 H ALA A 90 1.842 -3.022 3.376 1.00 0.00 H new ATOM 0 HA ALA A 90 4.230 -3.018 1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.012 -3.217 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.923 -4.718 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.525 -3.619 0.501 1.00 0.00 H new ATOM 929 N PHE A 91 3.699 -0.659 1.102 1.00 0.00 N ATOM 930 CA PHE A 91 3.482 0.776 0.965 1.00 0.00 C ATOM 931 C PHE A 91 2.902 1.111 -0.406 1.00 0.00 C ATOM 932 O PHE A 91 3.543 0.890 -1.435 1.00 0.00 O ATOM 933 CB PHE A 91 4.794 1.535 1.175 1.00 0.00 C ATOM 934 CG PHE A 91 5.156 1.718 2.621 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.260 2.299 3.504 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.391 1.309 3.097 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.591 2.470 4.835 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.727 1.477 4.428 1.00 0.00 C ATOM 939 CZ PHE A 91 5.825 2.057 5.298 1.00 0.00 C ATOM 0 H PHE A 91 4.596 -0.986 0.743 1.00 0.00 H new ATOM 0 HA PHE A 91 2.766 1.083 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.599 0.999 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.718 2.514 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.293 2.622 3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.100 0.854 2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.885 2.926 5.513 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.694 1.155 4.786 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.084 2.187 6.338 1.00 0.00 H new ATOM 949 N LEU A 92 1.685 1.644 -0.413 1.00 0.00 N ATOM 950 CA LEU A 92 1.017 2.008 -1.657 1.00 0.00 C ATOM 951 C LEU A 92 0.959 3.524 -1.820 1.00 0.00 C ATOM 952 O LEU A 92 0.565 4.244 -0.902 1.00 0.00 O ATOM 953 CB LEU A 92 -0.397 1.426 -1.690 1.00 0.00 C ATOM 954 CG LEU A 92 -1.350 2.033 -2.721 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.018 1.527 -4.116 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.794 1.713 -2.365 1.00 0.00 C ATOM 0 H LEU A 92 1.141 1.834 0.429 1.00 0.00 H new ATOM 0 HA LEU A 92 1.593 1.593 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.323 0.355 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.840 1.545 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.226 3.116 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.706 1.969 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.004 1.807 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.114 0.442 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.458 2.153 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.933 0.632 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.026 2.125 -1.383 1.00 0.00 H new ATOM 968 N THR A 93 1.352 4.003 -2.996 1.00 0.00 N ATOM 969 CA THR A 93 1.344 5.433 -3.281 1.00 0.00 C ATOM 970 C THR A 93 0.474 5.747 -4.492 1.00 0.00 C ATOM 971 O THR A 93 0.661 5.178 -5.568 1.00 0.00 O ATOM 972 CB THR A 93 2.768 5.963 -3.533 1.00 0.00 C ATOM 973 OG1 THR A 93 3.590 5.727 -2.385 1.00 0.00 O ATOM 974 CG2 THR A 93 2.743 7.451 -3.848 1.00 0.00 C ATOM 0 H THR A 93 1.680 3.421 -3.767 1.00 0.00 H new ATOM 0 HA THR A 93 0.931 5.929 -2.403 1.00 0.00 H new ATOM 0 HB THR A 93 3.183 5.433 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.494 6.066 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.760 7.803 -4.022 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.141 7.624 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.310 7.994 -3.008 1.00 0.00 H new ATOM 982 N TYR A 94 -0.476 6.658 -4.312 1.00 0.00 N ATOM 983 CA TYR A 94 -1.377 7.047 -5.390 1.00 0.00 C ATOM 984 C TYR A 94 -0.853 8.282 -6.118 1.00 0.00 C ATOM 985 O TYR A 94 0.004 9.002 -5.604 1.00 0.00 O ATOM 986 CB TYR A 94 -2.777 7.321 -4.840 1.00 0.00 C ATOM 987 CG TYR A 94 -3.660 6.094 -4.794 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.102 5.488 -5.963 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.053 5.542 -3.581 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.910 4.368 -5.926 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.858 4.421 -3.534 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.285 3.838 -4.709 1.00 0.00 C ATOM 993 OH TYR A 94 -6.088 2.722 -4.666 1.00 0.00 O ATOM 0 H TYR A 94 -0.642 7.141 -3.429 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.429 6.223 -6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.689 7.733 -3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.258 8.081 -5.455 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.809 5.900 -6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.723 5.998 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.246 3.910 -6.845 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.152 4.003 -2.582 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.156 2.333 -5.563 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.376 8.520 -7.315 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.962 9.668 -8.115 1.00 0.00 C ATOM 1005 C CYS A 95 -1.665 10.938 -7.647 1.00 0.00 C ATOM 1006 O CYS A 95 -1.110 12.033 -7.732 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.263 9.420 -9.594 1.00 0.00 C ATOM 1008 SG CYS A 95 -3.026 9.374 -9.992 1.00 0.00 S ATOM 0 H CYS A 95 -2.087 7.934 -7.753 1.00 0.00 H new ATOM 0 HA CYS A 95 0.112 9.801 -7.987 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.788 10.202 -10.186 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.810 8.475 -9.892 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.178 9.161 -11.265 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.890 10.784 -7.155 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.668 11.918 -6.674 1.00 0.00 C ATOM 1016 C ALA A 96 -3.982 11.777 -5.188 1.00 0.00 C ATOM 1017 O ALA A 96 -3.846 10.696 -4.615 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.954 12.055 -7.476 1.00 0.00 C ATOM 0 H ALA A 96 -3.365 9.884 -7.079 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.071 12.820 -6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.525 12.906 -7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.712 12.210 -8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.547 11.147 -7.370 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.402 12.877 -4.570 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.734 12.876 -3.151 1.00 0.00 C ATOM 1026 C ARG A 97 -6.090 12.221 -2.909 1.00 0.00 C ATOM 1027 O ARG A 97 -6.333 11.645 -1.849 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.741 14.305 -2.606 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.941 15.122 -3.057 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.652 15.869 -4.350 1.00 0.00 C ATOM 1031 NE ARG A 97 -6.570 16.987 -4.553 1.00 0.00 N ATOM 1032 CZ ARG A 97 -7.776 16.859 -5.094 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -8.208 15.668 -5.485 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -8.553 17.924 -5.246 1.00 0.00 N ATOM 0 H ARG A 97 -4.520 13.780 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.973 12.298 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.725 14.270 -1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.828 14.810 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.798 14.464 -3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.212 15.834 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.627 16.240 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.728 15.180 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.268 17.917 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.614 14.847 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.135 15.573 -5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.224 18.842 -4.947 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.479 17.824 -5.662 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.971 12.313 -3.900 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.303 11.729 -3.796 1.00 0.00 C ATOM 1050 C ASP A 98 -8.235 10.207 -3.859 1.00 0.00 C ATOM 1051 O ASP A 98 -8.716 9.517 -2.959 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.203 12.259 -4.914 1.00 0.00 C ATOM 1053 CG ASP A 98 -10.665 12.294 -4.512 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -10.955 12.678 -3.359 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -11.519 11.938 -5.350 1.00 0.00 O ATOM 0 H ASP A 98 -6.786 12.787 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.725 12.016 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.881 13.263 -5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.087 11.632 -5.798 1.00 0.00 H new ATOM 1060 N SER A 99 -7.637 9.689 -4.927 1.00 0.00 N ATOM 1061 CA SER A 99 -7.511 8.248 -5.109 1.00 0.00 C ATOM 1062 C SER A 99 -7.113 7.568 -3.803 1.00 0.00 C ATOM 1063 O SER A 99 -7.583 6.474 -3.491 1.00 0.00 O ATOM 1064 CB SER A 99 -6.478 7.938 -6.194 1.00 0.00 C ATOM 1065 OG SER A 99 -6.825 8.559 -7.420 1.00 0.00 O ATOM 0 H SER A 99 -7.232 10.246 -5.679 1.00 0.00 H new ATOM 0 HA SER A 99 -8.481 7.860 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.495 8.282 -5.874 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.407 6.860 -6.336 1.00 0.00 H new ATOM 0 HG SER A 99 -6.149 8.347 -8.097 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.242 8.224 -3.043 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.780 7.685 -1.770 1.00 0.00 C ATOM 1073 C ALA A 100 -6.885 7.738 -0.719 1.00 0.00 C ATOM 1074 O ALA A 100 -7.255 6.715 -0.141 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.554 8.446 -1.288 1.00 0.00 C ATOM 0 H ALA A 100 -5.842 9.130 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.508 6.640 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.220 8.033 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.756 8.353 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.807 9.498 -1.158 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.407 8.934 -0.476 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.469 9.120 0.506 1.00 0.00 C ATOM 1083 C LEU A 101 -9.569 8.080 0.322 1.00 0.00 C ATOM 1084 O LEU A 101 -9.973 7.412 1.275 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.058 10.527 0.390 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.100 11.682 0.683 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.635 12.981 0.100 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.875 11.821 2.181 1.00 0.00 C ATOM 0 H LEU A 101 -7.112 9.790 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.037 8.994 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.449 10.653 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.905 10.602 1.072 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.143 11.463 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.940 13.792 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.744 12.878 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.605 13.206 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.191 12.648 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.827 12.017 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.446 10.898 2.572 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.049 7.944 -0.909 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.099 6.983 -1.221 1.00 0.00 C ATOM 1102 C LYS A 102 -10.658 5.564 -0.876 1.00 0.00 C ATOM 1103 O LYS A 102 -11.188 4.945 0.046 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.473 7.066 -2.702 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.815 8.472 -3.165 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.017 8.530 -4.670 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.445 8.173 -5.054 1.00 0.00 C ATOM 1108 NZ LYS A 102 -13.538 7.698 -6.462 1.00 0.00 N ATOM 0 H LYS A 102 -9.726 8.489 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.973 7.230 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.644 6.687 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.325 6.413 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.721 8.811 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.016 9.155 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.781 9.531 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.325 7.843 -5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.818 7.399 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.086 9.045 -4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.527 7.465 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.205 8.446 -7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.947 6.851 -6.582 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.682 5.055 -1.622 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.167 3.711 -1.393 1.00 0.00 C ATOM 1124 C ALA A 103 -8.901 3.470 0.089 1.00 0.00 C ATOM 1125 O ALA A 103 -9.007 2.344 0.572 1.00 0.00 O ATOM 1126 CB ALA A 103 -7.899 3.487 -2.203 1.00 0.00 C ATOM 0 H ALA A 103 -9.233 5.554 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.924 2.998 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.525 2.479 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.119 3.608 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.143 4.213 -1.904 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.554 4.536 0.804 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.272 4.439 2.231 1.00 0.00 C ATOM 1134 C GLN A 104 -9.547 4.163 3.021 1.00 0.00 C ATOM 1135 O GLN A 104 -9.669 3.132 3.682 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.615 5.727 2.731 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.317 5.718 4.222 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.266 7.113 4.814 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -7.969 7.416 5.778 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.431 7.970 4.240 1.00 0.00 N ATOM 0 H GLN A 104 -8.462 5.476 0.418 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.585 3.606 2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.686 5.887 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.268 6.570 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.081 5.136 4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.364 5.218 4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.867 7.676 3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.353 8.923 4.596 1.00 0.00 H new ATOM 1149 N SER A 105 -10.494 5.093 2.948 1.00 0.00 N ATOM 1150 CA SER A 105 -11.759 4.952 3.661 1.00 0.00 C ATOM 1151 C SER A 105 -12.674 3.959 2.951 1.00 0.00 C ATOM 1152 O SER A 105 -13.771 3.663 3.423 1.00 0.00 O ATOM 1153 CB SER A 105 -12.455 6.309 3.780 1.00 0.00 C ATOM 1154 OG SER A 105 -13.398 6.307 4.837 1.00 0.00 O ATOM 0 H SER A 105 -10.410 5.951 2.403 1.00 0.00 H new ATOM 0 HA SER A 105 -11.545 4.573 4.660 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.713 7.088 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.956 6.548 2.842 1.00 0.00 H new ATOM 0 HG SER A 105 -13.905 5.468 4.822 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.214 3.448 1.814 1.00 0.00 N ATOM 1161 CA ALA A 106 -12.989 2.486 1.040 1.00 0.00 C ATOM 1162 C ALA A 106 -12.523 1.060 1.311 1.00 0.00 C ATOM 1163 O ALA A 106 -13.284 0.105 1.145 1.00 0.00 O ATOM 1164 CB ALA A 106 -12.890 2.803 -0.445 1.00 0.00 C ATOM 0 H ALA A 106 -11.308 3.684 1.408 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.031 2.564 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.473 2.077 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.279 3.804 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.847 2.755 -0.759 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.270 0.921 1.729 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.702 -0.390 2.023 1.00 0.00 C ATOM 1172 C LEU A 107 -10.490 -0.568 3.523 1.00 0.00 C ATOM 1173 O LEU A 107 -10.726 -1.644 4.071 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.376 -0.571 1.283 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.465 -0.672 -0.240 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.104 -0.424 -0.872 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.007 -2.033 -0.653 1.00 0.00 C ATOM 0 H LEU A 107 -10.628 1.700 1.872 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.407 -1.149 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.726 0.267 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.893 -1.473 1.659 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.153 0.095 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.187 -0.500 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.755 0.573 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.394 -1.167 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.064 -2.087 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.344 -2.816 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.002 -2.172 -0.230 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.044 0.497 4.182 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.802 0.460 5.620 1.00 0.00 C ATOM 1191 C HIS A 108 -10.998 -0.134 6.357 1.00 0.00 C ATOM 1192 O HIS A 108 -12.029 0.519 6.514 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.511 1.866 6.146 1.00 0.00 C ATOM 1194 CG HIS A 108 -9.011 1.885 7.558 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.713 1.571 7.900 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.642 2.186 8.716 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.568 1.676 9.209 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.724 2.048 9.728 1.00 0.00 N ATOM 0 H HIS A 108 -9.843 1.396 3.743 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.934 -0.174 5.801 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.772 2.341 5.501 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.420 2.464 6.083 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.675 2.480 8.825 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.659 1.489 9.761 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.905 2.207 10.719 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.853 -1.378 6.805 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.923 -2.059 7.524 1.00 0.00 C ATOM 1208 C GLU A 109 -13.175 -2.170 6.658 1.00 0.00 C ATOM 1209 O GLU A 109 -14.296 -2.061 7.155 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.251 -1.317 8.821 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.041 -1.084 9.711 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.400 -1.045 11.184 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -11.750 0.046 11.681 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.332 -2.106 11.839 1.00 0.00 O ATOM 0 H GLU A 109 -10.006 -1.933 6.683 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.579 -3.064 7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.702 -0.355 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.996 -1.886 9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.311 -1.875 9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.565 -0.144 9.432 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.974 -2.387 5.363 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.086 -2.512 4.428 1.00 0.00 C ATOM 1223 C GLN A 110 -13.972 -3.796 3.613 1.00 0.00 C ATOM 1224 O GLN A 110 -14.956 -4.510 3.419 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.131 -1.302 3.492 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.528 -0.972 2.992 1.00 0.00 C ATOM 1227 CD GLN A 110 -15.637 0.443 2.459 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -16.091 0.662 1.335 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.220 1.414 3.264 1.00 0.00 N ATOM 0 H GLN A 110 -12.052 -2.480 4.937 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.010 -2.551 5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.726 -0.435 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.483 -1.491 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.804 -1.675 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.242 -1.106 3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.851 1.188 4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.269 2.386 2.959 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.765 -4.084 3.138 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.521 -5.282 2.345 1.00 0.00 C ATOM 1240 C LYS A 111 -11.911 -6.387 3.202 1.00 0.00 C ATOM 1241 O LYS A 111 -11.327 -6.121 4.253 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.593 -4.961 1.171 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.836 -5.829 -0.051 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.194 -5.550 -0.673 1.00 0.00 C ATOM 1245 CE LYS A 111 -13.182 -5.798 -2.173 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.502 -5.502 -2.795 1.00 0.00 N ATOM 0 H LYS A 111 -11.940 -3.503 3.289 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.478 -5.633 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.720 -3.914 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.559 -5.082 1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.053 -5.648 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.773 -6.880 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.947 -6.184 -0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.480 -4.517 -0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.415 -5.178 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.914 -6.836 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.452 -5.684 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -15.230 -6.111 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.747 -4.504 -2.632 1.00 0.00 H new ATOM 1260 N THR A 112 -12.047 -7.628 2.745 1.00 0.00 N ATOM 1261 CA THR A 112 -11.510 -8.772 3.470 1.00 0.00 C ATOM 1262 C THR A 112 -10.787 -9.729 2.528 1.00 0.00 C ATOM 1263 O THR A 112 -11.420 -10.487 1.791 1.00 0.00 O ATOM 1264 CB THR A 112 -12.620 -9.541 4.211 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.231 -8.694 5.191 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.060 -10.784 4.885 1.00 0.00 C ATOM 0 H THR A 112 -12.525 -7.866 1.876 1.00 0.00 H new ATOM 0 HA THR A 112 -10.802 -8.379 4.200 1.00 0.00 H new ATOM 0 HB THR A 112 -13.368 -9.850 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.937 -9.189 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.862 -11.310 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.621 -11.440 4.133 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.294 -10.494 5.604 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.460 -9.690 2.557 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.650 -10.555 1.706 1.00 0.00 C ATOM 1276 C LEU A 113 -8.960 -12.025 1.972 1.00 0.00 C ATOM 1277 O LEU A 113 -9.420 -12.403 3.049 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.163 -10.285 1.939 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.611 -8.997 1.328 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.198 -8.733 1.825 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.639 -9.071 -0.191 1.00 0.00 C ATOM 0 H LEU A 113 -8.921 -9.069 3.161 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.894 -10.333 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.983 -10.260 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.595 -11.125 1.540 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.246 -8.168 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.822 -7.812 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.207 -8.634 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.552 -9.564 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.242 -8.145 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.029 -9.910 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.666 -9.211 -0.530 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.699 -12.876 0.968 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.940 -14.318 1.071 1.00 0.00 C ATOM 1295 C PRO A 114 -7.972 -15.001 2.031 1.00 0.00 C ATOM 1296 O PRO A 114 -6.760 -14.992 1.817 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.716 -14.818 -0.359 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.798 -13.816 -0.971 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.149 -12.496 -0.344 1.00 0.00 C ATOM 0 HA PRO A 114 -9.933 -14.538 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.275 -15.815 -0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.656 -14.882 -0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.756 -14.074 -0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.925 -13.780 -2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.274 -11.854 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.878 -11.948 -0.942 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.515 -15.593 3.091 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.684 -16.272 4.068 1.00 0.00 C ATOM 1309 C GLY A 115 -7.381 -15.405 5.274 1.00 0.00 C ATOM 1310 O GLY A 115 -6.633 -15.809 6.164 1.00 0.00 O ATOM 0 H GLY A 115 -9.515 -15.614 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.185 -17.183 4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.748 -16.574 3.597 1.00 0.00 H new ATOM 1314 N MET A 116 -7.963 -14.211 5.303 1.00 0.00 N ATOM 1315 CA MET A 116 -7.750 -13.285 6.410 1.00 0.00 C ATOM 1316 C MET A 116 -9.053 -13.027 7.160 1.00 0.00 C ATOM 1317 O MET A 116 -9.945 -12.345 6.657 1.00 0.00 O ATOM 1318 CB MET A 116 -7.174 -11.964 5.894 1.00 0.00 C ATOM 1319 CG MET A 116 -5.682 -12.022 5.610 1.00 0.00 C ATOM 1320 SD MET A 116 -4.698 -12.233 7.106 1.00 0.00 S ATOM 1321 CE MET A 116 -3.652 -10.781 7.031 1.00 0.00 C ATOM 0 H MET A 116 -8.585 -13.862 4.574 1.00 0.00 H new ATOM 0 HA MET A 116 -7.038 -13.739 7.100 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.699 -11.680 4.982 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.366 -11.182 6.629 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.478 -12.846 4.926 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.376 -11.106 5.105 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.984 -10.769 7.892 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.062 -10.804 6.115 1.00 0.00 H new ATOM 0 HE3 MET A 116 -4.272 -9.885 7.040 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.155 -13.576 8.366 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.349 -13.405 9.185 1.00 0.00 C ATOM 1333 C ASN A 117 -10.645 -11.926 9.415 1.00 0.00 C ATOM 1334 O ASN A 117 -11.803 -11.525 9.532 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.178 -14.117 10.529 1.00 0.00 C ATOM 1336 CG ASN A 117 -11.230 -13.705 11.540 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -11.017 -12.792 12.338 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -12.374 -14.379 11.511 1.00 0.00 N ATOM 0 H ASN A 117 -8.425 -14.143 8.798 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.190 -13.847 8.651 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -10.229 -15.195 10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -9.188 -13.898 10.929 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -13.119 -14.147 12.168 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -12.507 -15.129 10.832 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.590 -11.120 9.477 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.736 -9.686 9.692 1.00 0.00 C ATOM 1347 C ARG A 118 -9.680 -8.929 8.369 1.00 0.00 C ATOM 1348 O ARG A 118 -9.065 -9.371 7.398 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.641 -9.176 10.631 1.00 0.00 C ATOM 1350 CG ARG A 118 -7.272 -9.085 9.977 1.00 0.00 C ATOM 1351 CD ARG A 118 -6.502 -10.389 10.112 1.00 0.00 C ATOM 1352 NE ARG A 118 -5.059 -10.171 10.161 1.00 0.00 N ATOM 1353 CZ ARG A 118 -4.416 -9.743 11.242 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -5.085 -9.491 12.358 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -3.101 -9.569 11.207 1.00 0.00 N ATOM 0 H ARG A 118 -8.625 -11.436 9.381 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.709 -9.510 10.150 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.923 -8.191 11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.578 -9.837 11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.387 -8.837 8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.702 -8.276 10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.821 -10.906 11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.742 -11.040 9.271 1.00 0.00 H new ATOM 0 HE ARG A 118 -4.515 -10.358 9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -6.096 -9.626 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.589 -9.163 13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -2.583 -9.764 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -2.608 -9.240 12.037 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.336 -7.760 8.327 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.376 -6.916 7.129 1.00 0.00 C ATOM 1371 C PRO A 119 -9.025 -6.280 6.823 1.00 0.00 C ATOM 1372 O PRO A 119 -8.048 -6.501 7.539 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.405 -5.841 7.486 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.382 -5.774 8.974 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.090 -7.171 9.447 1.00 0.00 C ATOM 0 HA PRO A 119 -10.629 -7.488 6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.144 -4.880 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.396 -6.104 7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.619 -5.077 9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.337 -5.422 9.364 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.506 -7.170 10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.006 -7.726 9.651 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.976 -5.489 5.756 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.745 -4.820 5.358 1.00 0.00 C ATOM 1385 C ILE A 120 -7.642 -3.435 5.989 1.00 0.00 C ATOM 1386 O ILE A 120 -8.573 -2.635 5.906 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.649 -4.682 3.827 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.462 -3.794 3.446 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.944 -4.115 3.264 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.332 -3.566 1.956 1.00 0.00 C ATOM 0 H ILE A 120 -9.775 -5.296 5.152 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.921 -5.440 5.712 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.491 -5.671 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.564 -2.831 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.544 -4.249 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.861 -4.023 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.770 -4.782 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.130 -3.133 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.470 -2.928 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.198 -4.523 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.234 -3.082 1.582 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.504 -3.161 6.617 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.279 -1.872 7.262 1.00 0.00 C ATOM 1404 C GLN A 121 -5.314 -1.017 6.447 1.00 0.00 C ATOM 1405 O GLN A 121 -4.167 -1.402 6.220 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.732 -2.073 8.676 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.727 -2.719 9.627 1.00 0.00 C ATOM 1408 CD GLN A 121 -6.214 -2.784 11.052 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -5.412 -1.950 11.474 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -6.674 -3.778 11.802 1.00 0.00 N ATOM 0 H GLN A 121 -5.723 -3.813 6.693 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.235 -1.352 7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.836 -2.692 8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.430 -1.107 9.081 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.661 -2.157 9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.954 -3.727 9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -7.338 -4.447 11.411 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -6.364 -3.873 12.769 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.786 0.146 6.010 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.965 1.057 5.221 1.00 0.00 C ATOM 1421 C VAL A 122 -5.032 2.476 5.774 1.00 0.00 C ATOM 1422 O VAL A 122 -6.106 3.073 5.856 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.403 1.072 3.745 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.468 1.941 2.918 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.457 -0.344 3.191 1.00 0.00 C ATOM 0 H VAL A 122 -6.733 0.480 6.189 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.939 0.694 5.284 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.404 1.500 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.794 1.939 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.485 2.961 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.454 1.547 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.768 -0.315 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.470 -0.801 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.172 -0.933 3.766 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.877 3.013 6.152 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.802 4.363 6.696 1.00 0.00 C ATOM 1437 C LYS A 123 -2.680 5.156 6.033 1.00 0.00 C ATOM 1438 O LYS A 123 -1.707 4.596 5.526 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.580 4.314 8.210 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.434 3.408 8.627 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.932 2.030 9.029 1.00 0.00 C ATOM 1442 CE LYS A 123 -2.886 1.058 7.861 1.00 0.00 C ATOM 1443 NZ LYS A 123 -2.670 -0.344 8.313 1.00 0.00 N ATOM 0 H LYS A 123 -2.979 2.533 6.091 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.748 4.863 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.385 5.323 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.496 3.973 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.725 3.314 7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.897 3.860 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.323 1.646 9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.954 2.105 9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -3.819 1.119 7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.086 1.347 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -3.126 -0.998 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.650 -0.543 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -3.083 -0.471 9.259 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.815 6.490 6.035 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.821 7.388 5.439 1.00 0.00 C ATOM 1459 C PRO A 124 -0.520 7.420 6.232 1.00 0.00 C ATOM 1460 O PRO A 124 -0.319 8.291 7.078 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.507 8.755 5.481 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.482 8.655 6.603 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.949 7.226 6.620 1.00 0.00 C ATOM 0 HA PRO A 124 -1.535 7.071 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.786 9.555 5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.009 8.975 4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.015 8.924 7.551 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.319 9.337 6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.169 6.887 7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.859 7.094 6.035 1.00 0.00 H new ATOM 1471 N ALA A 125 0.362 6.465 5.954 1.00 0.00 N ATOM 1472 CA ALA A 125 1.645 6.386 6.640 1.00 0.00 C ATOM 1473 C ALA A 125 2.172 7.776 6.980 1.00 0.00 C ATOM 1474 O ALA A 125 2.381 8.103 8.148 1.00 0.00 O ATOM 1475 CB ALA A 125 2.654 5.631 5.788 1.00 0.00 C ATOM 0 H ALA A 125 0.211 5.735 5.258 1.00 0.00 H new ATOM 0 HA ALA A 125 1.497 5.844 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.608 5.580 6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.289 4.621 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.790 6.150 4.839 1.00 0.00 H new