USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=16 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= -0.447 X(o=-0.45,f=-0.69) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.446 K(o=0.45,f=1) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= -0.489 (180deg=-2.21!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 16:sc= 0.0926 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= -0.186 (180deg=-0.245) USER MOD Single : A 83 THR OG1 : rot -140:sc= 0.0693 USER MOD Single : A 86 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-4.4!) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= -0.184 (180deg=-0.249) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.865 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 21:sc= 0.814 USER MOD Single : A 95 CYS SG : rot -87:sc= 0.017 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 163:sc= -0.018 (180deg=-0.197) USER MOD Single : A 104 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.045) USER MOD Single : A 105 SER OG : rot -34:sc= 0.191 USER MOD Single : A 108 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-4.2!) USER MOD Single : A 110 GLN : amide:sc= -1.96 X(o=-2,f=-1.7) 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 -178:sc= 0 (180deg=-0.00136) USER MOD Single : A 117 ASN : amide:sc=-0.00518 K(o=-0.0052,f=-1.4) USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 123 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.08) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.052 14.376 -6.905 1.00 0.00 N ATOM 136 CA ASP A 42 0.749 15.744 -6.502 1.00 0.00 C ATOM 137 C ASP A 42 1.621 16.171 -5.325 1.00 0.00 C ATOM 138 O ASP A 42 2.131 15.332 -4.581 1.00 0.00 O ATOM 139 CB ASP A 42 -0.729 15.873 -6.129 1.00 0.00 C ATOM 140 CG ASP A 42 -1.201 14.743 -5.235 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.089 13.571 -5.652 1.00 0.00 O ATOM 142 OD2 ASP A 42 -1.684 15.031 -4.120 1.00 0.00 O ATOM 0 HA ASP A 42 0.962 16.400 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.891 16.825 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.330 15.889 -7.038 1.00 0.00 H new ATOM 147 N HIS A 43 1.790 17.479 -5.164 1.00 0.00 N ATOM 148 CA HIS A 43 2.602 18.017 -4.078 1.00 0.00 C ATOM 149 C HIS A 43 2.049 17.588 -2.722 1.00 0.00 C ATOM 150 O HIS A 43 2.806 17.277 -1.802 1.00 0.00 O ATOM 151 CB HIS A 43 2.655 19.543 -4.160 1.00 0.00 C ATOM 152 CG HIS A 43 1.312 20.181 -4.335 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.496 20.519 -3.276 1.00 0.00 N ATOM 154 CD2 HIS A 43 0.642 20.543 -5.454 1.00 0.00 C ATOM 155 CE1 HIS A 43 -0.617 21.061 -3.736 1.00 0.00 C ATOM 156 NE2 HIS A 43 -0.554 21.087 -5.055 1.00 0.00 N ATOM 0 H HIS A 43 1.376 18.186 -5.771 1.00 0.00 H new ATOM 0 HA HIS A 43 3.612 17.620 -4.181 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.117 19.931 -3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.296 19.832 -4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.984 20.426 -6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.439 21.422 -3.136 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.276 21.452 -5.676 1.00 0.00 H new ATOM 165 N ASP A 44 0.726 17.574 -2.606 1.00 0.00 N ATOM 166 CA ASP A 44 0.071 17.183 -1.363 1.00 0.00 C ATOM 167 C ASP A 44 -0.159 15.675 -1.321 1.00 0.00 C ATOM 168 O ASP A 44 -0.721 15.150 -0.360 1.00 0.00 O ATOM 169 CB ASP A 44 -1.260 17.919 -1.209 1.00 0.00 C ATOM 170 CG ASP A 44 -2.282 17.491 -2.244 1.00 0.00 C ATOM 171 OD1 ASP A 44 -2.054 17.747 -3.445 1.00 0.00 O ATOM 172 OD2 ASP A 44 -3.310 16.899 -1.853 1.00 0.00 O ATOM 0 H ASP A 44 0.086 17.829 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 44 0.725 17.456 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.659 17.736 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.090 18.992 -1.293 1.00 0.00 H new ATOM 177 N ALA A 45 0.277 14.986 -2.370 1.00 0.00 N ATOM 178 CA ALA A 45 0.119 13.539 -2.453 1.00 0.00 C ATOM 179 C ALA A 45 0.349 12.884 -1.095 1.00 0.00 C ATOM 180 O ALA A 45 1.012 13.450 -0.226 1.00 0.00 O ATOM 181 CB ALA A 45 1.073 12.962 -3.488 1.00 0.00 C ATOM 0 H ALA A 45 0.742 15.406 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.905 13.327 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.944 11.881 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.860 13.399 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.100 13.192 -3.204 1.00 0.00 H new ATOM 187 N ILE A 46 -0.204 11.688 -0.920 1.00 0.00 N ATOM 188 CA ILE A 46 -0.058 10.956 0.332 1.00 0.00 C ATOM 189 C ILE A 46 0.356 9.510 0.079 1.00 0.00 C ATOM 190 O ILE A 46 -0.050 8.901 -0.911 1.00 0.00 O ATOM 191 CB ILE A 46 -1.365 10.969 1.147 1.00 0.00 C ATOM 192 CG1 ILE A 46 -1.974 12.372 1.153 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.107 10.492 2.569 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.332 12.439 1.817 1.00 0.00 C ATOM 0 H ILE A 46 -0.757 11.206 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 46 0.722 11.460 0.903 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.075 10.287 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.294 13.052 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.063 12.725 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.040 10.507 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.713 9.476 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.383 11.151 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.703 13.463 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.027 11.785 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.246 12.117 2.855 1.00 0.00 H new ATOM 206 N LYS A 47 1.165 8.966 0.981 1.00 0.00 N ATOM 207 CA LYS A 47 1.632 7.590 0.859 1.00 0.00 C ATOM 208 C LYS A 47 0.863 6.668 1.800 1.00 0.00 C ATOM 209 O LYS A 47 1.083 6.677 3.011 1.00 0.00 O ATOM 210 CB LYS A 47 3.130 7.510 1.161 1.00 0.00 C ATOM 211 CG LYS A 47 3.668 6.090 1.197 1.00 0.00 C ATOM 212 CD LYS A 47 5.126 6.034 0.771 1.00 0.00 C ATOM 213 CE LYS A 47 5.861 4.887 1.446 1.00 0.00 C ATOM 214 NZ LYS A 47 7.022 4.421 0.639 1.00 0.00 N ATOM 0 H LYS A 47 1.511 9.457 1.805 1.00 0.00 H new ATOM 0 HA LYS A 47 1.456 7.263 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.675 8.077 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.325 7.988 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.567 5.687 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.072 5.457 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.186 5.919 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.615 6.976 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.207 5.206 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.172 4.057 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.497 3.639 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.690 4.093 -0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.692 5.206 0.510 1.00 0.00 H new ATOM 228 N LEU A 48 -0.039 5.873 1.235 1.00 0.00 N ATOM 229 CA LEU A 48 -0.840 4.943 2.023 1.00 0.00 C ATOM 230 C LEU A 48 -0.040 3.692 2.369 1.00 0.00 C ATOM 231 O LEU A 48 0.823 3.263 1.602 1.00 0.00 O ATOM 232 CB LEU A 48 -2.108 4.557 1.259 1.00 0.00 C ATOM 233 CG LEU A 48 -3.217 5.609 1.223 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.325 5.185 0.272 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.772 5.848 2.620 1.00 0.00 C ATOM 0 H LEU A 48 -0.234 5.854 0.234 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.120 5.440 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.830 4.316 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.512 3.647 1.702 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.792 6.544 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.105 5.946 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.917 5.067 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.748 4.237 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.560 6.600 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.180 4.917 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.973 6.199 3.274 1.00 0.00 H new ATOM 247 N PHE A 49 -0.333 3.109 3.527 1.00 0.00 N ATOM 248 CA PHE A 49 0.359 1.906 3.973 1.00 0.00 C ATOM 249 C PHE A 49 -0.638 0.818 4.362 1.00 0.00 C ATOM 250 O PHE A 49 -1.637 1.085 5.031 1.00 0.00 O ATOM 251 CB PHE A 49 1.269 2.226 5.161 1.00 0.00 C ATOM 252 CG PHE A 49 1.515 1.050 6.062 1.00 0.00 C ATOM 253 CD1 PHE A 49 0.629 0.746 7.084 1.00 0.00 C ATOM 254 CD2 PHE A 49 2.632 0.249 5.888 1.00 0.00 C ATOM 255 CE1 PHE A 49 0.852 -0.335 7.915 1.00 0.00 C ATOM 256 CE2 PHE A 49 2.860 -0.834 6.716 1.00 0.00 C ATOM 257 CZ PHE A 49 1.970 -1.126 7.731 1.00 0.00 C ATOM 0 H PHE A 49 -1.045 3.450 4.173 1.00 0.00 H new ATOM 0 HA PHE A 49 0.967 1.539 3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.225 2.593 4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.823 3.032 5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.246 1.362 7.232 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.332 0.473 5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.154 -0.561 8.707 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.734 -1.452 6.569 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.148 -1.971 8.380 1.00 0.00 H new ATOM 267 N VAL A 50 -0.361 -0.410 3.936 1.00 0.00 N ATOM 268 CA VAL A 50 -1.232 -1.539 4.239 1.00 0.00 C ATOM 269 C VAL A 50 -0.558 -2.512 5.200 1.00 0.00 C ATOM 270 O VAL A 50 0.613 -2.853 5.035 1.00 0.00 O ATOM 271 CB VAL A 50 -1.635 -2.297 2.959 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.849 -3.175 3.219 1.00 0.00 C ATOM 273 CG2 VAL A 50 -1.906 -1.319 1.826 1.00 0.00 C ATOM 0 H VAL A 50 0.460 -0.648 3.380 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.127 -1.130 4.708 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.808 -2.942 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.119 -3.702 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.614 -3.899 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.685 -2.554 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.189 -1.870 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.716 -0.648 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.007 -0.737 1.625 1.00 0.00 H new ATOM 283 N GLY A 51 -1.306 -2.955 6.206 1.00 0.00 N ATOM 284 CA GLY A 51 -0.763 -3.885 7.180 1.00 0.00 C ATOM 285 C GLY A 51 -1.646 -5.101 7.375 1.00 0.00 C ATOM 286 O GLY A 51 -1.701 -5.667 8.466 1.00 0.00 O ATOM 0 H GLY A 51 -2.277 -2.687 6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.227 -4.207 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.637 -3.374 8.135 1.00 0.00 H new ATOM 290 N GLN A 52 -2.341 -5.502 6.315 1.00 0.00 N ATOM 291 CA GLN A 52 -3.228 -6.658 6.377 1.00 0.00 C ATOM 292 C GLN A 52 -3.005 -7.580 5.182 1.00 0.00 C ATOM 293 O GLN A 52 -3.956 -8.117 4.615 1.00 0.00 O ATOM 294 CB GLN A 52 -4.688 -6.204 6.420 1.00 0.00 C ATOM 295 CG GLN A 52 -5.113 -5.648 7.769 1.00 0.00 C ATOM 296 CD GLN A 52 -5.085 -6.694 8.866 1.00 0.00 C ATOM 297 OE1 GLN A 52 -6.021 -7.481 9.014 1.00 0.00 O ATOM 298 NE2 GLN A 52 -4.008 -6.709 9.643 1.00 0.00 N ATOM 0 H GLN A 52 -2.307 -5.044 5.404 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.999 -7.212 7.288 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.845 -5.442 5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.330 -7.048 6.166 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.455 -4.823 8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.120 -5.239 7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.256 -6.039 9.485 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.933 -7.391 10.398 1.00 0.00 H new ATOM 307 N ILE A 53 -1.743 -7.757 4.806 1.00 0.00 N ATOM 308 CA ILE A 53 -1.395 -8.614 3.680 1.00 0.00 C ATOM 309 C ILE A 53 -0.849 -9.955 4.158 1.00 0.00 C ATOM 310 O ILE A 53 0.199 -10.034 4.801 1.00 0.00 O ATOM 311 CB ILE A 53 -0.353 -7.946 2.764 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.875 -6.598 2.261 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.013 -8.858 1.595 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.215 -5.680 1.754 1.00 0.00 C ATOM 0 H ILE A 53 -0.945 -7.318 5.265 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.312 -8.778 3.114 1.00 0.00 H new ATOM 0 HB ILE A 53 0.556 -7.771 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.594 -6.772 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.411 -6.101 3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.725 -8.372 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.395 -9.796 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.915 -9.061 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.227 -4.744 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.922 -5.476 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.736 -6.158 0.925 1.00 0.00 H new ATOM 326 N PRO A 54 -1.573 -11.038 3.837 1.00 0.00 N ATOM 327 CA PRO A 54 -1.179 -12.396 4.221 1.00 0.00 C ATOM 328 C PRO A 54 0.055 -12.878 3.467 1.00 0.00 C ATOM 329 O PRO A 54 0.755 -12.087 2.834 1.00 0.00 O ATOM 330 CB PRO A 54 -2.400 -13.240 3.843 1.00 0.00 C ATOM 331 CG PRO A 54 -3.071 -12.470 2.759 1.00 0.00 C ATOM 332 CD PRO A 54 -2.832 -11.019 3.073 1.00 0.00 C ATOM 0 HA PRO A 54 -0.909 -12.459 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.105 -14.232 3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.063 -13.382 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.661 -12.731 1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.138 -12.692 2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.743 -10.421 2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.649 -10.594 3.656 1.00 0.00 H new ATOM 340 N ARG A 55 0.317 -14.179 3.538 1.00 0.00 N ATOM 341 CA ARG A 55 1.468 -14.765 2.862 1.00 0.00 C ATOM 342 C ARG A 55 1.026 -15.614 1.674 1.00 0.00 C ATOM 343 O ARG A 55 0.303 -16.596 1.834 1.00 0.00 O ATOM 344 CB ARG A 55 2.280 -15.618 3.839 1.00 0.00 C ATOM 345 CG ARG A 55 3.650 -16.011 3.310 1.00 0.00 C ATOM 346 CD ARG A 55 4.607 -16.351 4.442 1.00 0.00 C ATOM 347 NE ARG A 55 5.688 -17.228 4.000 1.00 0.00 N ATOM 348 CZ ARG A 55 5.516 -18.511 3.700 1.00 0.00 C ATOM 349 NH1 ARG A 55 4.314 -19.062 3.793 1.00 0.00 N ATOM 350 NH2 ARG A 55 6.549 -19.245 3.305 1.00 0.00 N ATOM 0 H ARG A 55 -0.252 -14.847 4.057 1.00 0.00 H new ATOM 0 HA ARG A 55 2.094 -13.953 2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.404 -15.068 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.717 -16.522 4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.552 -16.869 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.061 -15.193 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.029 -15.432 4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.056 -16.833 5.250 1.00 0.00 H new ATOM 0 HE ARG A 55 6.625 -16.834 3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.518 -18.501 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.185 -20.047 3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.475 -18.824 3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.417 -20.230 3.075 1.00 0.00 H new ATOM 364 N GLY A 56 1.467 -15.227 0.480 1.00 0.00 N ATOM 365 CA GLY A 56 1.106 -15.963 -0.717 1.00 0.00 C ATOM 366 C GLY A 56 0.758 -15.049 -1.876 1.00 0.00 C ATOM 367 O GLY A 56 0.816 -15.457 -3.037 1.00 0.00 O ATOM 0 H GLY A 56 2.067 -14.418 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.934 -16.611 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.256 -16.609 -0.500 1.00 0.00 H new ATOM 371 N LEU A 57 0.393 -13.811 -1.562 1.00 0.00 N ATOM 372 CA LEU A 57 0.032 -12.837 -2.586 1.00 0.00 C ATOM 373 C LEU A 57 1.134 -11.798 -2.763 1.00 0.00 C ATOM 374 O LEU A 57 2.078 -11.740 -1.974 1.00 0.00 O ATOM 375 CB LEU A 57 -1.283 -12.146 -2.219 1.00 0.00 C ATOM 376 CG LEU A 57 -2.491 -13.062 -2.022 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.709 -12.256 -1.601 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.780 -13.845 -3.294 1.00 0.00 C ATOM 0 H LEU A 57 0.339 -13.458 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.095 -13.368 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.128 -11.580 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.522 -11.426 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.259 -13.772 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.559 -12.925 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.499 -11.742 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.944 -11.522 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.643 -14.492 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.991 -13.152 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.913 -14.454 -3.551 1.00 0.00 H new ATOM 390 N ASP A 58 1.007 -10.979 -3.800 1.00 0.00 N ATOM 391 CA ASP A 58 1.991 -9.939 -4.078 1.00 0.00 C ATOM 392 C ASP A 58 1.312 -8.669 -4.582 1.00 0.00 C ATOM 393 O ASP A 58 0.088 -8.613 -4.699 1.00 0.00 O ATOM 394 CB ASP A 58 3.008 -10.432 -5.109 1.00 0.00 C ATOM 395 CG ASP A 58 3.583 -11.788 -4.753 1.00 0.00 C ATOM 396 OD1 ASP A 58 4.611 -11.830 -4.047 1.00 0.00 O ATOM 397 OD2 ASP A 58 3.004 -12.809 -5.181 1.00 0.00 O ATOM 0 H ASP A 58 0.232 -11.015 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 58 2.511 -9.707 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.531 -10.489 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.818 -9.707 -5.191 1.00 0.00 H new ATOM 402 N GLU A 59 2.115 -7.651 -4.877 1.00 0.00 N ATOM 403 CA GLU A 59 1.591 -6.382 -5.366 1.00 0.00 C ATOM 404 C GLU A 59 0.741 -6.590 -6.616 1.00 0.00 C ATOM 405 O GLU A 59 -0.151 -5.795 -6.911 1.00 0.00 O ATOM 406 CB GLU A 59 2.736 -5.414 -5.669 1.00 0.00 C ATOM 407 CG GLU A 59 3.644 -5.154 -4.479 1.00 0.00 C ATOM 408 CD GLU A 59 2.873 -4.957 -3.188 1.00 0.00 C ATOM 409 OE1 GLU A 59 2.183 -5.905 -2.759 1.00 0.00 O ATOM 410 OE2 GLU A 59 2.960 -3.855 -2.608 1.00 0.00 O ATOM 0 H GLU A 59 3.130 -7.681 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 59 0.961 -5.954 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.332 -5.815 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.319 -4.467 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.332 -5.991 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.249 -4.269 -4.675 1.00 0.00 H new ATOM 417 N GLN A 60 1.026 -7.663 -7.346 1.00 0.00 N ATOM 418 CA GLN A 60 0.289 -7.974 -8.566 1.00 0.00 C ATOM 419 C GLN A 60 -1.143 -8.390 -8.245 1.00 0.00 C ATOM 420 O GLN A 60 -2.029 -8.306 -9.096 1.00 0.00 O ATOM 421 CB GLN A 60 0.994 -9.088 -9.342 1.00 0.00 C ATOM 422 CG GLN A 60 0.641 -9.117 -10.820 1.00 0.00 C ATOM 423 CD GLN A 60 1.329 -10.245 -11.563 1.00 0.00 C ATOM 424 OE1 GLN A 60 1.879 -11.162 -10.952 1.00 0.00 O ATOM 425 NE2 GLN A 60 1.303 -10.183 -12.889 1.00 0.00 N ATOM 0 H GLN A 60 1.761 -8.331 -7.115 1.00 0.00 H new ATOM 0 HA GLN A 60 0.258 -7.075 -9.182 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.072 -8.967 -9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.736 -10.049 -8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.439 -9.220 -10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.918 -8.166 -11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.836 -9.405 -13.354 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.750 -10.914 -13.443 1.00 0.00 H new ATOM 434 N ASP A 61 -1.362 -8.838 -7.014 1.00 0.00 N ATOM 435 CA ASP A 61 -2.687 -9.266 -6.581 1.00 0.00 C ATOM 436 C ASP A 61 -3.416 -8.134 -5.863 1.00 0.00 C ATOM 437 O ASP A 61 -4.640 -8.159 -5.725 1.00 0.00 O ATOM 438 CB ASP A 61 -2.578 -10.483 -5.661 1.00 0.00 C ATOM 439 CG ASP A 61 -2.284 -11.760 -6.423 1.00 0.00 C ATOM 440 OD1 ASP A 61 -2.967 -12.016 -7.436 1.00 0.00 O ATOM 441 OD2 ASP A 61 -1.372 -12.504 -6.006 1.00 0.00 O ATOM 0 H ASP A 61 -0.639 -8.914 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.261 -9.540 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.790 -10.311 -4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.509 -10.600 -5.107 1.00 0.00 H new ATOM 446 N LEU A 62 -2.657 -7.144 -5.408 1.00 0.00 N ATOM 447 CA LEU A 62 -3.230 -6.002 -4.703 1.00 0.00 C ATOM 448 C LEU A 62 -3.502 -4.849 -5.664 1.00 0.00 C ATOM 449 O LEU A 62 -4.390 -4.029 -5.432 1.00 0.00 O ATOM 450 CB LEU A 62 -2.290 -5.542 -3.588 1.00 0.00 C ATOM 451 CG LEU A 62 -1.987 -6.570 -2.497 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.824 -6.106 -1.634 1.00 0.00 C ATOM 453 CD2 LEU A 62 -3.221 -6.820 -1.643 1.00 0.00 C ATOM 0 H LEU A 62 -1.643 -7.108 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.177 -6.315 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.347 -5.233 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.722 -4.659 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.705 -7.508 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.623 -6.850 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.062 -5.979 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.076 -5.156 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.987 -7.554 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.534 -5.887 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.028 -7.198 -2.271 1.00 0.00 H new ATOM 465 N LYS A 63 -2.732 -4.793 -6.745 1.00 0.00 N ATOM 466 CA LYS A 63 -2.890 -3.744 -7.744 1.00 0.00 C ATOM 467 C LYS A 63 -4.320 -3.707 -8.274 1.00 0.00 C ATOM 468 O LYS A 63 -4.932 -2.647 -8.405 1.00 0.00 O ATOM 469 CB LYS A 63 -1.912 -3.960 -8.901 1.00 0.00 C ATOM 470 CG LYS A 63 -1.436 -2.670 -9.546 1.00 0.00 C ATOM 471 CD LYS A 63 -0.362 -2.930 -10.588 1.00 0.00 C ATOM 472 CE LYS A 63 1.004 -3.117 -9.946 1.00 0.00 C ATOM 473 NZ LYS A 63 1.233 -4.528 -9.528 1.00 0.00 N ATOM 0 H LYS A 63 -1.991 -5.463 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.673 -2.788 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.047 -4.514 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.391 -4.580 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.280 -2.162 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.045 -2.001 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.620 -3.819 -11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.325 -2.096 -11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.780 -2.816 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.090 -2.463 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.210 -4.803 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.077 -4.616 -8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.572 -5.152 -10.034 1.00 0.00 H new ATOM 487 N PRO A 64 -4.867 -4.892 -8.584 1.00 0.00 N ATOM 488 CA PRO A 64 -6.232 -5.022 -9.102 1.00 0.00 C ATOM 489 C PRO A 64 -7.242 -4.226 -8.282 1.00 0.00 C ATOM 490 O PRO A 64 -8.049 -3.475 -8.832 1.00 0.00 O ATOM 491 CB PRO A 64 -6.514 -6.522 -8.986 1.00 0.00 C ATOM 492 CG PRO A 64 -5.172 -7.166 -9.045 1.00 0.00 C ATOM 493 CD PRO A 64 -4.195 -6.196 -8.453 1.00 0.00 C ATOM 0 HA PRO A 64 -6.321 -4.634 -10.117 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.025 -6.758 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.155 -6.868 -9.797 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.169 -8.104 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.903 -7.404 -10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.980 -6.432 -7.411 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.244 -6.211 -8.986 1.00 0.00 H new ATOM 501 N LEU A 65 -7.191 -4.393 -6.966 1.00 0.00 N ATOM 502 CA LEU A 65 -8.101 -3.689 -6.069 1.00 0.00 C ATOM 503 C LEU A 65 -7.789 -2.196 -6.039 1.00 0.00 C ATOM 504 O LEU A 65 -8.684 -1.361 -6.169 1.00 0.00 O ATOM 505 CB LEU A 65 -8.009 -4.270 -4.657 1.00 0.00 C ATOM 506 CG LEU A 65 -8.778 -5.569 -4.414 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.380 -6.183 -3.081 1.00 0.00 C ATOM 508 CD2 LEU A 65 -10.278 -5.317 -4.461 1.00 0.00 C ATOM 0 H LEU A 65 -6.529 -5.010 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.116 -3.822 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.958 -4.445 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.370 -3.520 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.523 -6.274 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.937 -7.107 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.312 -6.400 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.605 -5.483 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.810 -6.252 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.550 -4.595 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.550 -4.923 -5.440 1.00 0.00 H new ATOM 520 N PHE A 66 -6.513 -1.867 -5.868 1.00 0.00 N ATOM 521 CA PHE A 66 -6.082 -0.475 -5.822 1.00 0.00 C ATOM 522 C PHE A 66 -6.368 0.227 -7.147 1.00 0.00 C ATOM 523 O PHE A 66 -6.518 1.447 -7.194 1.00 0.00 O ATOM 524 CB PHE A 66 -4.589 -0.391 -5.500 1.00 0.00 C ATOM 525 CG PHE A 66 -4.236 -0.943 -4.148 1.00 0.00 C ATOM 526 CD1 PHE A 66 -5.042 -0.690 -3.050 1.00 0.00 C ATOM 527 CD2 PHE A 66 -3.098 -1.715 -3.975 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.719 -1.195 -1.805 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.770 -2.224 -2.733 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.582 -1.964 -1.646 1.00 0.00 C ATOM 0 H PHE A 66 -5.759 -2.546 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.645 0.027 -5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.030 -0.933 -6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.272 0.651 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.933 -0.091 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.460 -1.921 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.355 -0.989 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.880 -2.824 -2.612 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.329 -2.361 -0.674 1.00 0.00 H new ATOM 540 N GLU A 67 -6.440 -0.554 -8.220 1.00 0.00 N ATOM 541 CA GLU A 67 -6.706 -0.007 -9.545 1.00 0.00 C ATOM 542 C GLU A 67 -8.200 0.234 -9.745 1.00 0.00 C ATOM 543 O GLU A 67 -8.622 0.749 -10.779 1.00 0.00 O ATOM 544 CB GLU A 67 -6.182 -0.955 -10.627 1.00 0.00 C ATOM 545 CG GLU A 67 -4.707 -0.769 -10.937 1.00 0.00 C ATOM 546 CD GLU A 67 -4.319 -1.331 -12.291 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.331 -2.571 -12.443 1.00 0.00 O ATOM 548 OE2 GLU A 67 -4.005 -0.532 -13.198 1.00 0.00 O ATOM 0 H GLU A 67 -6.318 -1.566 -8.198 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.187 0.948 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.351 -1.984 -10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.758 -0.805 -11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.464 0.293 -10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.113 -1.255 -10.163 1.00 0.00 H new ATOM 555 N GLU A 68 -8.992 -0.143 -8.746 1.00 0.00 N ATOM 556 CA GLU A 68 -10.439 0.031 -8.813 1.00 0.00 C ATOM 557 C GLU A 68 -10.836 1.445 -8.400 1.00 0.00 C ATOM 558 O GLU A 68 -11.934 1.909 -8.709 1.00 0.00 O ATOM 559 CB GLU A 68 -11.139 -0.990 -7.915 1.00 0.00 C ATOM 560 CG GLU A 68 -12.628 -1.122 -8.189 1.00 0.00 C ATOM 561 CD GLU A 68 -12.922 -1.937 -9.433 1.00 0.00 C ATOM 562 OE1 GLU A 68 -12.645 -3.154 -9.425 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.430 -1.356 -10.416 1.00 0.00 O ATOM 0 H GLU A 68 -8.657 -0.570 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.752 -0.129 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.666 -1.963 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.994 -0.705 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.112 -1.589 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.063 -0.129 -8.299 1.00 0.00 H new ATOM 570 N PHE A 69 -9.935 2.126 -7.699 1.00 0.00 N ATOM 571 CA PHE A 69 -10.191 3.487 -7.242 1.00 0.00 C ATOM 572 C PHE A 69 -9.483 4.502 -8.134 1.00 0.00 C ATOM 573 O PHE A 69 -10.034 5.556 -8.452 1.00 0.00 O ATOM 574 CB PHE A 69 -9.730 3.655 -5.792 1.00 0.00 C ATOM 575 CG PHE A 69 -10.368 2.682 -4.843 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.615 2.941 -4.298 1.00 0.00 C ATOM 577 CD2 PHE A 69 -9.721 1.507 -4.496 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.204 2.047 -3.424 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.305 0.609 -3.623 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.548 0.879 -3.087 1.00 0.00 C ATOM 0 H PHE A 69 -9.021 1.757 -7.435 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.264 3.667 -7.298 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.647 3.537 -5.748 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.953 4.670 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.133 3.852 -4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.749 1.290 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.176 2.261 -3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.789 -0.303 -3.360 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.007 0.178 -2.405 1.00 0.00 H new ATOM 590 N GLY A 70 -8.257 4.178 -8.534 1.00 0.00 N ATOM 591 CA GLY A 70 -7.494 5.071 -9.384 1.00 0.00 C ATOM 592 C GLY A 70 -6.142 4.498 -9.762 1.00 0.00 C ATOM 593 O GLY A 70 -5.749 3.441 -9.269 1.00 0.00 O ATOM 0 H GLY A 70 -7.779 3.312 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.063 5.279 -10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.351 6.022 -8.871 1.00 0.00 H new ATOM 597 N ARG A 71 -5.429 5.197 -10.639 1.00 0.00 N ATOM 598 CA ARG A 71 -4.114 4.750 -11.084 1.00 0.00 C ATOM 599 C ARG A 71 -3.107 4.798 -9.939 1.00 0.00 C ATOM 600 O ARG A 71 -2.991 5.808 -9.244 1.00 0.00 O ATOM 601 CB ARG A 71 -3.624 5.616 -12.246 1.00 0.00 C ATOM 602 CG ARG A 71 -2.415 5.041 -12.966 1.00 0.00 C ATOM 603 CD ARG A 71 -2.380 5.469 -14.424 1.00 0.00 C ATOM 604 NE ARG A 71 -1.757 6.780 -14.595 1.00 0.00 N ATOM 605 CZ ARG A 71 -1.891 7.520 -15.690 1.00 0.00 C ATOM 606 NH1 ARG A 71 -2.621 7.081 -16.706 1.00 0.00 N ATOM 607 NH2 ARG A 71 -1.294 8.702 -15.770 1.00 0.00 N ATOM 0 H ARG A 71 -5.739 6.075 -11.055 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.204 3.718 -11.422 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.436 5.742 -12.962 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.374 6.608 -11.869 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.503 5.369 -12.467 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.438 3.953 -12.905 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.832 4.728 -15.006 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.396 5.496 -14.818 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.188 7.147 -13.832 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.082 6.173 -16.648 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.722 7.652 -17.545 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.732 9.043 -14.990 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.397 9.270 -16.611 1.00 0.00 H new ATOM 621 N ILE A 72 -2.382 3.701 -9.749 1.00 0.00 N ATOM 622 CA ILE A 72 -1.384 3.620 -8.689 1.00 0.00 C ATOM 623 C ILE A 72 -0.104 4.349 -9.082 1.00 0.00 C ATOM 624 O ILE A 72 0.189 4.518 -10.266 1.00 0.00 O ATOM 625 CB ILE A 72 -1.044 2.157 -8.348 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.233 1.481 -7.661 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.192 2.093 -7.464 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.046 -0.006 -7.455 1.00 0.00 C ATOM 0 H ILE A 72 -2.467 2.856 -10.315 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.817 4.099 -7.811 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.832 1.623 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.401 1.955 -6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.130 1.647 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.420 1.053 -7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.037 2.541 -7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.007 2.639 -6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.927 -0.419 -6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.908 -0.493 -8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.168 -0.180 -6.832 1.00 0.00 H new ATOM 640 N TYR A 73 0.656 4.778 -8.081 1.00 0.00 N ATOM 641 CA TYR A 73 1.906 5.490 -8.321 1.00 0.00 C ATOM 642 C TYR A 73 3.106 4.629 -7.937 1.00 0.00 C ATOM 643 O TYR A 73 4.071 4.520 -8.693 1.00 0.00 O ATOM 644 CB TYR A 73 1.931 6.800 -7.531 1.00 0.00 C ATOM 645 CG TYR A 73 3.150 7.650 -7.807 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.394 7.302 -7.295 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.058 8.802 -8.578 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.511 8.076 -7.543 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.170 9.581 -8.834 1.00 0.00 C ATOM 650 CZ TYR A 73 5.394 9.214 -8.314 1.00 0.00 C ATOM 651 OH TYR A 73 6.503 9.989 -8.564 1.00 0.00 O ATOM 0 H TYR A 73 0.429 4.645 -7.096 1.00 0.00 H new ATOM 0 HA TYR A 73 1.968 5.714 -9.386 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.036 7.375 -7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.890 6.573 -6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.489 6.411 -6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.101 9.094 -8.984 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.470 7.792 -7.136 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.082 10.472 -9.438 1.00 0.00 H new ATOM 0 HH TYR A 73 6.249 10.753 -9.123 1.00 0.00 H new ATOM 661 N GLU A 74 3.036 4.020 -6.758 1.00 0.00 N ATOM 662 CA GLU A 74 4.116 3.168 -6.274 1.00 0.00 C ATOM 663 C GLU A 74 3.572 2.046 -5.395 1.00 0.00 C ATOM 664 O GLU A 74 2.658 2.255 -4.596 1.00 0.00 O ATOM 665 CB GLU A 74 5.135 3.997 -5.489 1.00 0.00 C ATOM 666 CG GLU A 74 6.324 3.190 -4.993 1.00 0.00 C ATOM 667 CD GLU A 74 7.430 3.087 -6.025 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.303 2.261 -6.953 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.424 3.834 -5.904 1.00 0.00 O ATOM 0 H GLU A 74 2.244 4.100 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 74 4.608 2.722 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.496 4.808 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.637 4.456 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.719 3.651 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.991 2.188 -4.722 1.00 0.00 H new ATOM 676 N LEU A 75 4.139 0.854 -5.548 1.00 0.00 N ATOM 677 CA LEU A 75 3.712 -0.303 -4.770 1.00 0.00 C ATOM 678 C LEU A 75 4.897 -1.204 -4.438 1.00 0.00 C ATOM 679 O LEU A 75 5.521 -1.781 -5.329 1.00 0.00 O ATOM 680 CB LEU A 75 2.652 -1.096 -5.537 1.00 0.00 C ATOM 681 CG LEU A 75 1.877 -2.137 -4.729 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.512 -1.586 -3.359 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.628 -2.574 -5.481 1.00 0.00 C ATOM 0 H LEU A 75 4.896 0.664 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 75 3.281 0.058 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.938 -0.391 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.138 -1.601 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 75 2.516 -3.009 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.961 -2.341 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.421 -1.324 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.892 -0.697 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.089 -3.315 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.014 -1.710 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.914 -3.010 -6.438 1.00 0.00 H new ATOM 695 N THR A 76 5.201 -1.323 -3.149 1.00 0.00 N ATOM 696 CA THR A 76 6.310 -2.155 -2.699 1.00 0.00 C ATOM 697 C THR A 76 5.993 -2.818 -1.364 1.00 0.00 C ATOM 698 O THR A 76 5.678 -2.144 -0.383 1.00 0.00 O ATOM 699 CB THR A 76 7.606 -1.334 -2.557 1.00 0.00 C ATOM 700 OG1 THR A 76 8.214 -1.151 -3.841 1.00 0.00 O ATOM 701 CG2 THR A 76 8.585 -2.027 -1.621 1.00 0.00 C ATOM 0 H THR A 76 4.694 -0.853 -2.398 1.00 0.00 H new ATOM 0 HA THR A 76 6.457 -2.924 -3.457 1.00 0.00 H new ATOM 0 HB THR A 76 7.350 -0.362 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.564 -1.362 -4.544 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.492 -1.429 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.130 -2.138 -0.637 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.834 -3.011 -2.019 1.00 0.00 H new ATOM 709 N VAL A 77 6.079 -4.145 -1.333 1.00 0.00 N ATOM 710 CA VAL A 77 5.803 -4.900 -0.117 1.00 0.00 C ATOM 711 C VAL A 77 6.980 -4.834 0.850 1.00 0.00 C ATOM 712 O VAL A 77 8.128 -4.665 0.437 1.00 0.00 O ATOM 713 CB VAL A 77 5.492 -6.375 -0.431 1.00 0.00 C ATOM 714 CG1 VAL A 77 4.233 -6.488 -1.277 1.00 0.00 C ATOM 715 CG2 VAL A 77 6.674 -7.031 -1.129 1.00 0.00 C ATOM 0 H VAL A 77 6.338 -4.718 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 77 4.929 -4.443 0.348 1.00 0.00 H new ATOM 0 HB VAL A 77 5.317 -6.899 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.030 -7.538 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.391 -6.057 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.375 -5.950 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.437 -8.073 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.883 -6.507 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.550 -6.984 -0.483 1.00 0.00 H new ATOM 725 N LEU A 78 6.688 -4.970 2.139 1.00 0.00 N ATOM 726 CA LEU A 78 7.723 -4.927 3.166 1.00 0.00 C ATOM 727 C LEU A 78 8.112 -6.334 3.607 1.00 0.00 C ATOM 728 O LEU A 78 7.258 -7.208 3.757 1.00 0.00 O ATOM 729 CB LEU A 78 7.239 -4.118 4.372 1.00 0.00 C ATOM 730 CG LEU A 78 7.181 -2.602 4.183 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.156 -1.986 5.123 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.553 -1.983 4.408 1.00 0.00 C ATOM 0 H LEU A 78 5.744 -5.111 2.498 1.00 0.00 H new ATOM 0 HA LEU A 78 8.602 -4.444 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.243 -4.469 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.894 -4.334 5.216 1.00 0.00 H new ATOM 0 HG LEU A 78 6.875 -2.395 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.129 -0.907 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.172 -2.406 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.432 -2.203 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.492 -0.904 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.888 -2.200 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.262 -2.401 3.694 1.00 0.00 H new ATOM 744 N LYS A 79 9.407 -6.547 3.815 1.00 0.00 N ATOM 745 CA LYS A 79 9.911 -7.847 4.242 1.00 0.00 C ATOM 746 C LYS A 79 10.950 -7.692 5.347 1.00 0.00 C ATOM 747 O LYS A 79 11.639 -6.674 5.426 1.00 0.00 O ATOM 748 CB LYS A 79 10.522 -8.595 3.055 1.00 0.00 C ATOM 749 CG LYS A 79 9.664 -8.553 1.802 1.00 0.00 C ATOM 750 CD LYS A 79 10.165 -9.527 0.749 1.00 0.00 C ATOM 751 CE LYS A 79 9.508 -9.277 -0.600 1.00 0.00 C ATOM 752 NZ LYS A 79 9.956 -7.992 -1.204 1.00 0.00 N ATOM 0 H LYS A 79 10.127 -5.835 3.695 1.00 0.00 H new ATOM 0 HA LYS A 79 9.072 -8.422 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.499 -8.167 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.687 -9.635 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.632 -8.793 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.665 -7.542 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.247 -9.434 0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.961 -10.548 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.744 -10.098 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.425 -9.264 -0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.539 -7.890 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.649 -7.200 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.993 -7.987 -1.280 1.00 0.00 H new ATOM 766 N ASP A 80 11.057 -8.706 6.198 1.00 0.00 N ATOM 767 CA ASP A 80 12.015 -8.683 7.298 1.00 0.00 C ATOM 768 C ASP A 80 13.383 -8.211 6.818 1.00 0.00 C ATOM 769 O ASP A 80 13.606 -8.040 5.619 1.00 0.00 O ATOM 770 CB ASP A 80 12.133 -10.071 7.929 1.00 0.00 C ATOM 771 CG ASP A 80 11.151 -10.275 9.066 1.00 0.00 C ATOM 772 OD1 ASP A 80 10.866 -9.296 9.787 1.00 0.00 O ATOM 773 OD2 ASP A 80 10.668 -11.415 9.236 1.00 0.00 O ATOM 0 H ASP A 80 10.493 -9.554 6.148 1.00 0.00 H new ATOM 0 HA ASP A 80 11.652 -7.981 8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.963 -10.830 7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.148 -10.213 8.299 1.00 0.00 H new ATOM 778 N ARG A 81 14.296 -8.001 7.761 1.00 0.00 N ATOM 779 CA ARG A 81 15.642 -7.547 7.434 1.00 0.00 C ATOM 780 C ARG A 81 16.665 -8.650 7.688 1.00 0.00 C ATOM 781 O ARG A 81 17.705 -8.712 7.029 1.00 0.00 O ATOM 782 CB ARG A 81 15.999 -6.307 8.256 1.00 0.00 C ATOM 783 CG ARG A 81 15.913 -6.527 9.757 1.00 0.00 C ATOM 784 CD ARG A 81 17.238 -7.008 10.327 1.00 0.00 C ATOM 785 NE ARG A 81 17.307 -6.831 11.775 1.00 0.00 N ATOM 786 CZ ARG A 81 16.571 -7.526 12.636 1.00 0.00 C ATOM 787 NH1 ARG A 81 15.716 -8.439 12.197 1.00 0.00 N ATOM 788 NH2 ARG A 81 16.691 -7.309 13.940 1.00 0.00 N ATOM 0 H ARG A 81 14.128 -8.138 8.758 1.00 0.00 H new ATOM 0 HA ARG A 81 15.664 -7.291 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.011 -5.991 8.001 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.331 -5.492 7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.622 -5.597 10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.135 -7.259 9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.376 -8.061 10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 81 18.055 -6.462 9.856 1.00 0.00 H new ATOM 0 HE ARG A 81 17.955 -6.136 12.146 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.622 -8.610 11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.153 -8.971 12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.349 -6.608 14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.126 -7.843 14.600 1.00 0.00 H new ATOM 802 N LEU A 82 16.364 -9.520 8.646 1.00 0.00 N ATOM 803 CA LEU A 82 17.257 -10.622 8.987 1.00 0.00 C ATOM 804 C LEU A 82 17.154 -11.745 7.961 1.00 0.00 C ATOM 805 O LEU A 82 18.164 -12.294 7.520 1.00 0.00 O ATOM 806 CB LEU A 82 16.928 -11.157 10.382 1.00 0.00 C ATOM 807 CG LEU A 82 17.709 -10.536 11.541 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.116 -10.964 12.874 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.179 -10.922 11.461 1.00 0.00 C ATOM 0 H LEU A 82 15.509 -9.484 9.200 1.00 0.00 H new ATOM 0 HA LEU A 82 18.279 -10.244 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.864 -11.007 10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.103 -12.233 10.387 1.00 0.00 H new ATOM 0 HG LEU A 82 17.634 -9.451 11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 82 17.685 -10.512 13.687 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.078 -10.637 12.932 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.160 -12.050 12.960 1.00 0.00 H new ATOM 0 HD21 LEU A 82 19.719 -10.471 12.293 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.274 -12.007 11.512 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.598 -10.565 10.520 1.00 0.00 H new ATOM 821 N THR A 83 15.925 -12.083 7.583 1.00 0.00 N ATOM 822 CA THR A 83 15.688 -13.140 6.608 1.00 0.00 C ATOM 823 C THR A 83 15.217 -12.565 5.277 1.00 0.00 C ATOM 824 O THR A 83 15.554 -13.082 4.212 1.00 0.00 O ATOM 825 CB THR A 83 14.643 -14.150 7.117 1.00 0.00 C ATOM 826 OG1 THR A 83 13.327 -13.601 6.987 1.00 0.00 O ATOM 827 CG2 THR A 83 14.905 -14.514 8.570 1.00 0.00 C ATOM 0 H THR A 83 15.078 -11.639 7.938 1.00 0.00 H new ATOM 0 HA THR A 83 16.638 -13.654 6.462 1.00 0.00 H new ATOM 0 HB THR A 83 14.720 -15.054 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.794 -13.839 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.154 -15.229 8.907 1.00 0.00 H new ATOM 0 HG22 THR A 83 15.896 -14.959 8.661 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.853 -13.616 9.185 1.00 0.00 H new ATOM 835 N GLY A 84 14.436 -11.491 5.345 1.00 0.00 N ATOM 836 CA GLY A 84 13.932 -10.863 4.137 1.00 0.00 C ATOM 837 C GLY A 84 12.643 -11.495 3.650 1.00 0.00 C ATOM 838 O GLY A 84 12.276 -11.354 2.483 1.00 0.00 O ATOM 0 H GLY A 84 14.143 -11.045 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.765 -9.802 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.686 -10.933 3.353 1.00 0.00 H new ATOM 842 N LEU A 85 11.955 -12.197 4.544 1.00 0.00 N ATOM 843 CA LEU A 85 10.700 -12.855 4.199 1.00 0.00 C ATOM 844 C LEU A 85 9.523 -11.896 4.349 1.00 0.00 C ATOM 845 O LEU A 85 9.495 -11.069 5.260 1.00 0.00 O ATOM 846 CB LEU A 85 10.486 -14.085 5.083 1.00 0.00 C ATOM 847 CG LEU A 85 11.500 -15.217 4.913 1.00 0.00 C ATOM 848 CD1 LEU A 85 11.417 -16.187 6.082 1.00 0.00 C ATOM 849 CD2 LEU A 85 11.272 -15.945 3.597 1.00 0.00 C ATOM 0 H LEU A 85 12.245 -12.325 5.513 1.00 0.00 H new ATOM 0 HA LEU A 85 10.758 -13.170 3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.499 -13.766 6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.491 -14.482 4.884 1.00 0.00 H new ATOM 0 HG LEU A 85 12.500 -14.784 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.146 -16.986 5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.631 -15.657 7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.415 -16.614 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.003 -16.747 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 85 10.267 -16.366 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.383 -15.244 2.770 1.00 0.00 H new ATOM 861 N HIS A 86 8.551 -12.015 3.449 1.00 0.00 N ATOM 862 CA HIS A 86 7.369 -11.161 3.483 1.00 0.00 C ATOM 863 C HIS A 86 6.812 -11.061 4.900 1.00 0.00 C ATOM 864 O HIS A 86 6.368 -12.055 5.475 1.00 0.00 O ATOM 865 CB HIS A 86 6.297 -11.701 2.537 1.00 0.00 C ATOM 866 CG HIS A 86 5.168 -10.744 2.303 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.619 -9.969 3.302 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.487 -10.438 1.174 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.648 -9.229 2.798 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.548 -9.494 1.508 1.00 0.00 N ATOM 0 H HIS A 86 8.559 -12.694 2.688 1.00 0.00 H new ATOM 0 HA HIS A 86 7.662 -10.163 3.156 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.758 -11.947 1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.897 -12.629 2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.652 -10.858 0.193 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.039 -8.526 3.348 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.882 -9.067 0.865 1.00 0.00 H new ATOM 879 N LYS A 87 6.838 -9.856 5.457 1.00 0.00 N ATOM 880 CA LYS A 87 6.335 -9.624 6.806 1.00 0.00 C ATOM 881 C LYS A 87 4.810 -9.629 6.827 1.00 0.00 C ATOM 882 O LYS A 87 4.192 -10.399 7.560 1.00 0.00 O ATOM 883 CB LYS A 87 6.859 -8.292 7.347 1.00 0.00 C ATOM 884 CG LYS A 87 8.362 -8.271 7.562 1.00 0.00 C ATOM 885 CD LYS A 87 8.835 -6.918 8.067 1.00 0.00 C ATOM 886 CE LYS A 87 8.097 -5.778 7.382 1.00 0.00 C ATOM 887 NZ LYS A 87 8.760 -4.466 7.620 1.00 0.00 N ATOM 0 H LYS A 87 7.203 -9.023 4.995 1.00 0.00 H new ATOM 0 HA LYS A 87 6.692 -10.433 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.589 -7.496 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.362 -8.073 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.639 -9.045 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.868 -8.508 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.682 -6.857 9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.906 -6.817 7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.046 -5.970 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.071 -5.738 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.150 -3.700 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.923 -4.339 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.670 -4.441 7.118 1.00 0.00 H new ATOM 901 N GLY A 88 4.209 -8.765 6.015 1.00 0.00 N ATOM 902 CA GLY A 88 2.761 -8.687 5.954 1.00 0.00 C ATOM 903 C GLY A 88 2.264 -7.268 5.766 1.00 0.00 C ATOM 904 O GLY A 88 1.306 -6.847 6.417 1.00 0.00 O ATOM 0 H GLY A 88 4.699 -8.117 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.401 -9.306 5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.339 -9.098 6.871 1.00 0.00 H new ATOM 908 N CYS A 89 2.916 -6.527 4.877 1.00 0.00 N ATOM 909 CA CYS A 89 2.535 -5.145 4.607 1.00 0.00 C ATOM 910 C CYS A 89 3.148 -4.658 3.298 1.00 0.00 C ATOM 911 O CYS A 89 3.988 -5.335 2.705 1.00 0.00 O ATOM 912 CB CYS A 89 2.976 -4.239 5.758 1.00 0.00 C ATOM 913 SG CYS A 89 4.462 -4.807 6.617 1.00 0.00 S ATOM 0 H CYS A 89 3.711 -6.860 4.331 1.00 0.00 H new ATOM 0 HA CYS A 89 1.450 -5.104 4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.155 -3.237 5.369 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.161 -4.161 6.477 1.00 0.00 H new ATOM 0 HG CYS A 89 4.756 -3.975 7.571 1.00 0.00 H new ATOM 919 N ALA A 90 2.720 -3.482 2.852 1.00 0.00 N ATOM 920 CA ALA A 90 3.227 -2.904 1.614 1.00 0.00 C ATOM 921 C ALA A 90 2.913 -1.414 1.534 1.00 0.00 C ATOM 922 O ALA A 90 1.862 -0.965 1.992 1.00 0.00 O ATOM 923 CB ALA A 90 2.642 -3.633 0.413 1.00 0.00 C ATOM 0 H ALA A 90 2.023 -2.911 3.330 1.00 0.00 H new ATOM 0 HA ALA A 90 4.311 -3.021 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.029 -3.191 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.922 -4.686 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.556 -3.545 0.428 1.00 0.00 H new ATOM 929 N PHE A 91 3.832 -0.651 0.951 1.00 0.00 N ATOM 930 CA PHE A 91 3.654 0.790 0.813 1.00 0.00 C ATOM 931 C PHE A 91 3.018 1.133 -0.531 1.00 0.00 C ATOM 932 O PHE A 91 3.599 0.884 -1.588 1.00 0.00 O ATOM 933 CB PHE A 91 4.998 1.507 0.951 1.00 0.00 C ATOM 934 CG PHE A 91 5.372 1.811 2.374 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.464 2.416 3.228 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.630 1.490 2.858 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.806 2.697 4.538 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.977 1.769 4.166 1.00 0.00 C ATOM 939 CZ PHE A 91 6.063 2.372 5.008 1.00 0.00 C ATOM 0 H PHE A 91 4.707 -1.006 0.567 1.00 0.00 H new ATOM 0 HA PHE A 91 2.987 1.126 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.777 0.891 0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.964 2.438 0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.479 2.671 2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.348 1.016 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.090 3.171 5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.962 1.516 4.530 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.331 2.589 6.032 1.00 0.00 H new ATOM 949 N LEU A 92 1.820 1.706 -0.483 1.00 0.00 N ATOM 950 CA LEU A 92 1.103 2.084 -1.696 1.00 0.00 C ATOM 951 C LEU A 92 0.935 3.598 -1.780 1.00 0.00 C ATOM 952 O LEU A 92 0.501 4.240 -0.822 1.00 0.00 O ATOM 953 CB LEU A 92 -0.267 1.405 -1.734 1.00 0.00 C ATOM 954 CG LEU A 92 -1.261 1.957 -2.756 1.00 0.00 C ATOM 955 CD1 LEU A 92 -0.833 1.592 -4.169 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.663 1.437 -2.471 1.00 0.00 C ATOM 0 H LEU A 92 1.325 1.919 0.383 1.00 0.00 H new ATOM 0 HA LEU A 92 1.690 1.754 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.119 0.344 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.715 1.480 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.273 3.044 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.553 1.994 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.152 2.013 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.791 0.507 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.357 1.840 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.666 0.348 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.971 1.750 -1.473 1.00 0.00 H new ATOM 968 N THR A 93 1.280 4.163 -2.932 1.00 0.00 N ATOM 969 CA THR A 93 1.166 5.601 -3.143 1.00 0.00 C ATOM 970 C THR A 93 0.268 5.913 -4.334 1.00 0.00 C ATOM 971 O THR A 93 0.433 5.344 -5.414 1.00 0.00 O ATOM 972 CB THR A 93 2.546 6.246 -3.371 1.00 0.00 C ATOM 973 OG1 THR A 93 3.354 6.103 -2.197 1.00 0.00 O ATOM 974 CG2 THR A 93 2.404 7.720 -3.719 1.00 0.00 C ATOM 0 H THR A 93 1.641 3.647 -3.734 1.00 0.00 H new ATOM 0 HA THR A 93 0.723 6.019 -2.239 1.00 0.00 H new ATOM 0 HB THR A 93 3.027 5.737 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.230 6.514 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.392 8.154 -3.875 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.814 7.824 -4.630 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.905 8.240 -2.902 1.00 0.00 H new ATOM 982 N TYR A 94 -0.680 6.821 -4.132 1.00 0.00 N ATOM 983 CA TYR A 94 -1.606 7.208 -5.190 1.00 0.00 C ATOM 984 C TYR A 94 -1.137 8.482 -5.885 1.00 0.00 C ATOM 985 O TYR A 94 -0.571 9.375 -5.253 1.00 0.00 O ATOM 986 CB TYR A 94 -3.010 7.413 -4.619 1.00 0.00 C ATOM 987 CG TYR A 94 -3.856 6.159 -4.626 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.452 5.707 -5.797 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.059 5.428 -3.463 1.00 0.00 C ATOM 990 CE1 TYR A 94 -5.226 4.563 -5.809 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.830 4.282 -3.466 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.412 3.854 -4.641 1.00 0.00 C ATOM 993 OH TYR A 94 -6.182 2.713 -4.647 1.00 0.00 O ATOM 0 H TYR A 94 -0.828 7.303 -3.245 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.634 6.404 -5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.927 7.779 -3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.518 8.187 -5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.308 6.260 -6.714 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.606 5.761 -2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.683 4.226 -6.728 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.976 3.724 -2.553 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.236 2.359 -5.559 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.375 8.558 -7.190 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.978 9.723 -7.973 1.00 0.00 C ATOM 1005 C CYS A 95 -1.689 10.978 -7.480 1.00 0.00 C ATOM 1006 O CYS A 95 -1.145 12.080 -7.550 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.285 9.496 -9.454 1.00 0.00 C ATOM 1008 SG CYS A 95 -3.036 9.220 -9.811 1.00 0.00 S ATOM 0 H CYS A 95 -1.841 7.827 -7.728 1.00 0.00 H new ATOM 0 HA CYS A 95 0.096 9.864 -7.849 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.941 10.361 -10.022 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.714 8.637 -9.805 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.309 7.955 -9.692 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.909 10.804 -6.983 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.695 11.923 -6.478 1.00 0.00 C ATOM 1016 C ALA A 96 -4.207 11.643 -5.069 1.00 0.00 C ATOM 1017 O ALA A 96 -4.703 10.553 -4.784 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.857 12.217 -7.415 1.00 0.00 C ATOM 0 H ALA A 96 -3.375 9.899 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.048 12.799 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.435 13.055 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.473 12.470 -8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.497 11.337 -7.488 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.082 12.633 -4.191 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.530 12.492 -2.811 1.00 0.00 C ATOM 1026 C ARG A 97 -5.952 11.941 -2.755 1.00 0.00 C ATOM 1027 O ARG A 97 -6.301 11.187 -1.847 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.465 13.840 -2.091 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.538 14.821 -2.536 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.263 15.349 -3.935 1.00 0.00 C ATOM 1031 NE ARG A 97 -6.028 16.560 -4.223 1.00 0.00 N ATOM 1032 CZ ARG A 97 -5.751 17.382 -5.229 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -4.733 17.125 -6.039 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -6.493 18.464 -5.426 1.00 0.00 N ATOM 0 H ARG A 97 -3.674 13.542 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.866 11.788 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.559 13.674 -1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.485 14.286 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.512 14.331 -2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.585 15.654 -1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.199 15.559 -4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.511 14.581 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.818 16.787 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.160 16.294 -5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.523 17.758 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.277 18.665 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.280 19.095 -6.199 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.768 12.323 -3.732 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.152 11.867 -3.794 1.00 0.00 C ATOM 1050 C ASP A 98 -8.219 10.346 -3.883 1.00 0.00 C ATOM 1051 O ASP A 98 -8.822 9.691 -3.033 1.00 0.00 O ATOM 1052 CB ASP A 98 -8.863 12.492 -4.995 1.00 0.00 C ATOM 1053 CG ASP A 98 -8.818 14.007 -4.971 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -8.505 14.574 -3.903 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -9.096 14.627 -6.019 1.00 0.00 O ATOM 0 H ASP A 98 -6.495 12.947 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.654 12.182 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.401 12.132 -5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.902 12.163 -5.010 1.00 0.00 H new ATOM 1060 N SER A 99 -7.597 9.790 -4.918 1.00 0.00 N ATOM 1061 CA SER A 99 -7.591 8.346 -5.120 1.00 0.00 C ATOM 1062 C SER A 99 -7.175 7.620 -3.844 1.00 0.00 C ATOM 1063 O SER A 99 -7.637 6.514 -3.568 1.00 0.00 O ATOM 1064 CB SER A 99 -6.644 7.974 -6.263 1.00 0.00 C ATOM 1065 OG SER A 99 -7.019 8.620 -7.467 1.00 0.00 O ATOM 0 H SER A 99 -7.091 10.318 -5.629 1.00 0.00 H new ATOM 0 HA SER A 99 -8.603 8.036 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.624 8.253 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.652 6.894 -6.409 1.00 0.00 H new ATOM 0 HG SER A 99 -6.397 8.367 -8.181 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.299 8.252 -3.070 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.822 7.669 -1.822 1.00 0.00 C ATOM 1073 C ALA A 100 -6.905 7.706 -0.749 1.00 0.00 C ATOM 1074 O ALA A 100 -7.165 6.706 -0.080 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.576 8.398 -1.342 1.00 0.00 C ATOM 0 H ALA A 100 -5.905 9.168 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.570 6.625 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.230 7.952 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.793 8.315 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.811 9.450 -1.177 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.534 8.866 -0.590 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.589 9.034 0.403 1.00 0.00 C ATOM 1083 C LEU A 101 -9.692 7.998 0.206 1.00 0.00 C ATOM 1084 O LEU A 101 -10.072 7.295 1.142 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.177 10.443 0.318 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.213 11.592 0.620 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.776 12.909 0.109 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.932 11.673 2.114 1.00 0.00 C ATOM 0 H LEU A 101 -7.332 9.703 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.151 8.889 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.580 10.587 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -10.016 10.507 1.011 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.273 11.398 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.077 13.715 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.925 12.847 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.730 13.111 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.245 12.496 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.865 11.843 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.485 10.738 2.451 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.200 7.908 -1.018 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.256 6.956 -1.340 1.00 0.00 C ATOM 1102 C LYS A 102 -10.827 5.532 -1.002 1.00 0.00 C ATOM 1103 O LYS A 102 -11.366 4.913 -0.085 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.622 7.051 -2.823 1.00 0.00 C ATOM 1105 CG LYS A 102 -12.013 8.451 -3.265 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.234 8.521 -4.767 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.633 8.061 -5.147 1.00 0.00 C ATOM 1108 NZ LYS A 102 -14.670 9.051 -4.747 1.00 0.00 N ATOM 0 H LYS A 102 -9.897 8.483 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.131 7.205 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.775 6.714 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.448 6.370 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.923 8.756 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.232 9.155 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.080 9.544 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.495 7.900 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.682 7.899 -6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.842 7.103 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.553 8.856 -5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.842 8.979 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.341 10.011 -4.976 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.853 5.019 -1.747 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.350 3.670 -1.523 1.00 0.00 C ATOM 1124 C ALA A 103 -8.988 3.455 -0.058 1.00 0.00 C ATOM 1125 O ALA A 103 -9.018 2.329 0.439 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.144 3.402 -2.411 1.00 0.00 C ATOM 0 H ALA A 103 -9.397 5.518 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.142 2.967 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.779 2.391 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.432 3.505 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.356 4.118 -2.180 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.646 4.541 0.628 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.277 4.469 2.037 1.00 0.00 C ATOM 1134 C GLN A 104 -9.500 4.199 2.907 1.00 0.00 C ATOM 1135 O GLN A 104 -9.587 3.164 3.568 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.602 5.770 2.476 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.342 5.846 3.971 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.237 7.272 4.474 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -7.977 7.683 5.369 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.316 8.037 3.900 1.00 0.00 N ATOM 0 H GLN A 104 -8.617 5.480 0.231 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.576 3.644 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.656 5.876 1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.228 6.612 2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.146 5.336 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.419 5.314 4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.724 7.656 3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.200 9.006 4.197 1.00 0.00 H new ATOM 1149 N SER A 105 -10.443 5.136 2.902 1.00 0.00 N ATOM 1150 CA SER A 105 -11.659 5.000 3.695 1.00 0.00 C ATOM 1151 C SER A 105 -12.631 4.027 3.035 1.00 0.00 C ATOM 1152 O SER A 105 -13.670 3.690 3.602 1.00 0.00 O ATOM 1153 CB SER A 105 -12.329 6.363 3.877 1.00 0.00 C ATOM 1154 OG SER A 105 -13.335 6.308 4.873 1.00 0.00 O ATOM 0 H SER A 105 -10.388 5.997 2.358 1.00 0.00 H new ATOM 0 HA SER A 105 -11.384 4.605 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.580 7.106 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.766 6.686 2.932 1.00 0.00 H new ATOM 0 HG SER A 105 -13.770 5.430 4.850 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.286 3.579 1.832 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.126 2.643 1.095 1.00 0.00 C ATOM 1162 C ALA A 106 -12.666 1.205 1.312 1.00 0.00 C ATOM 1163 O ALA A 106 -13.439 0.262 1.134 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.119 2.984 -0.388 1.00 0.00 C ATOM 0 H ALA A 106 -11.430 3.849 1.347 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.145 2.731 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.750 2.277 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.502 3.995 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.100 2.925 -0.770 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.405 1.044 1.696 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.842 -0.281 1.936 1.00 0.00 C ATOM 1172 C LEU A 107 -10.580 -0.499 3.423 1.00 0.00 C ATOM 1173 O LEU A 107 -10.783 -1.595 3.945 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.544 -0.456 1.146 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.682 -0.472 -0.377 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.312 -0.447 -1.037 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.471 -1.693 -0.827 1.00 0.00 C ATOM 0 H LEU A 107 -10.753 1.813 1.848 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.566 -1.023 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.864 0.350 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.075 -1.389 1.458 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.226 0.421 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.430 -0.459 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.781 0.457 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.742 -1.322 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.560 -1.689 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.954 -2.598 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.466 -1.668 -0.382 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.129 0.552 4.100 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.841 0.476 5.528 1.00 0.00 C ATOM 1191 C HIS A 108 -11.016 -0.132 6.287 1.00 0.00 C ATOM 1192 O HIS A 108 -12.048 0.512 6.471 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.527 1.867 6.081 1.00 0.00 C ATOM 1194 CG HIS A 108 -9.019 1.850 7.490 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.737 1.467 7.823 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.629 2.173 8.654 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.581 1.555 9.132 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.714 1.981 9.660 1.00 0.00 N ATOM 0 H HIS A 108 -9.955 1.466 3.683 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.971 -0.166 5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.785 2.344 5.441 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.428 2.479 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.646 2.518 8.770 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.680 1.319 9.678 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.882 2.141 10.653 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.852 -1.377 6.724 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.900 -2.072 7.461 1.00 0.00 C ATOM 1208 C GLU A 109 -13.163 -2.206 6.615 1.00 0.00 C ATOM 1209 O GLU A 109 -14.278 -2.098 7.125 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.220 -1.329 8.760 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.008 -1.109 9.649 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.378 -0.953 11.111 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -11.996 0.074 11.461 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.048 -1.859 11.906 1.00 0.00 O ATOM 0 H GLU A 109 -10.003 -1.924 6.580 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.537 -3.071 7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.662 -0.363 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.970 -1.892 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.324 -1.950 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.475 -0.219 9.316 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.978 -2.442 5.320 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.102 -2.589 4.403 1.00 0.00 C ATOM 1223 C GLN A 110 -14.005 -3.899 3.629 1.00 0.00 C ATOM 1224 O GLN A 110 -14.992 -4.620 3.480 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.151 -1.410 3.429 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.556 -1.068 2.959 1.00 0.00 C ATOM 1227 CD GLN A 110 -15.716 0.402 2.622 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -16.211 0.755 1.551 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.299 1.268 3.538 1.00 0.00 N ATOM 0 H GLN A 110 -12.061 -2.535 4.883 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.019 -2.603 4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.714 -0.534 3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.532 -1.640 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.797 -1.667 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.271 -1.339 3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.895 0.931 4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.383 2.270 3.368 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.809 -4.203 3.136 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.581 -5.427 2.378 1.00 0.00 C ATOM 1240 C LYS A 111 -11.939 -6.498 3.254 1.00 0.00 C ATOM 1241 O LYS A 111 -11.333 -6.194 4.282 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.690 -5.142 1.167 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.953 -6.064 -0.012 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.257 -5.717 -0.711 1.00 0.00 C ATOM 1245 CE LYS A 111 -13.042 -4.697 -1.818 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.301 -3.982 -2.166 1.00 0.00 N ATOM 0 H LYS A 111 -11.982 -3.617 3.248 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.547 -5.796 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.840 -4.110 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.646 -5.235 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.129 -5.993 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.988 -7.097 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.699 -6.622 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.967 -5.322 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.289 -3.974 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.653 -5.199 -2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.112 -3.296 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -15.012 -4.669 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.659 -3.482 -1.328 1.00 0.00 H new ATOM 1260 N THR A 112 -12.075 -7.754 2.840 1.00 0.00 N ATOM 1261 CA THR A 112 -11.509 -8.870 3.586 1.00 0.00 C ATOM 1262 C THR A 112 -10.760 -9.826 2.664 1.00 0.00 C ATOM 1263 O THR A 112 -11.371 -10.621 1.948 1.00 0.00 O ATOM 1264 CB THR A 112 -12.600 -9.653 4.341 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.196 -8.821 5.342 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.020 -10.900 4.991 1.00 0.00 C ATOM 0 H THR A 112 -12.573 -8.023 1.991 1.00 0.00 H new ATOM 0 HA THR A 112 -10.812 -8.445 4.308 1.00 0.00 H new ATOM 0 HB THR A 112 -13.360 -9.958 3.622 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.890 -9.326 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.809 -11.436 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.593 -11.545 4.223 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.242 -10.613 5.698 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.434 -9.743 2.684 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.601 -10.602 1.849 1.00 0.00 C ATOM 1276 C LEU A 113 -8.878 -12.074 2.136 1.00 0.00 C ATOM 1277 O LEU A 113 -9.339 -12.446 3.215 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.121 -10.294 2.085 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.585 -9.026 1.420 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.226 -8.657 1.993 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.498 -9.210 -0.088 1.00 0.00 C ATOM 0 H LEU A 113 -8.913 -9.090 3.269 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.846 -10.402 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.954 -10.215 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.533 -11.141 1.732 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.277 -8.210 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.860 -7.752 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.318 -8.482 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.524 -9.472 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.115 -8.297 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.828 -10.039 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.490 -9.426 -0.486 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.590 -12.934 1.147 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.797 -14.380 1.270 1.00 0.00 C ATOM 1295 C PRO A 114 -7.821 -15.024 2.248 1.00 0.00 C ATOM 1296 O PRO A 114 -6.606 -14.949 2.068 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.550 -14.895 -0.150 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.651 -13.882 -0.770 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.038 -12.560 -0.166 1.00 0.00 C ATOM 0 HA PRO A 114 -9.787 -14.619 1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.086 -15.881 -0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.483 -14.988 -0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.605 -14.112 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.770 -13.866 -1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.179 -11.897 -0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.774 -12.039 -0.778 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.361 -15.660 3.284 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.522 -16.309 4.275 1.00 0.00 C ATOM 1309 C GLY A 115 -7.190 -15.397 5.439 1.00 0.00 C ATOM 1310 O GLY A 115 -6.371 -15.741 6.291 1.00 0.00 O ATOM 0 H GLY A 115 -9.364 -15.737 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.028 -17.200 4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.598 -16.642 3.803 1.00 0.00 H new ATOM 1314 N MET A 116 -7.825 -14.230 5.476 1.00 0.00 N ATOM 1315 CA MET A 116 -7.591 -13.266 6.545 1.00 0.00 C ATOM 1316 C MET A 116 -8.871 -13.006 7.332 1.00 0.00 C ATOM 1317 O MET A 116 -9.718 -12.217 6.914 1.00 0.00 O ATOM 1318 CB MET A 116 -7.056 -11.954 5.969 1.00 0.00 C ATOM 1319 CG MET A 116 -5.580 -12.004 5.610 1.00 0.00 C ATOM 1320 SD MET A 116 -4.518 -12.157 7.059 1.00 0.00 S ATOM 1321 CE MET A 116 -3.621 -10.608 6.986 1.00 0.00 C ATOM 0 H MET A 116 -8.505 -13.929 4.778 1.00 0.00 H new ATOM 0 HA MET A 116 -6.848 -13.686 7.223 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.629 -11.697 5.078 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.218 -11.156 6.693 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.401 -12.847 4.942 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.312 -11.101 5.062 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.896 -10.568 7.799 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.100 -10.534 6.032 1.00 0.00 H new ATOM 0 HE3 MET A 116 -4.320 -9.778 7.083 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.006 -13.674 8.473 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.184 -13.515 9.317 1.00 0.00 C ATOM 1333 C ASN A 117 -10.540 -12.041 9.482 1.00 0.00 C ATOM 1334 O ASN A 117 -11.714 -11.683 9.584 1.00 0.00 O ATOM 1335 CB ASN A 117 -9.943 -14.149 10.689 1.00 0.00 C ATOM 1336 CG ASN A 117 -11.226 -14.324 11.479 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -12.317 -14.050 10.979 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -11.100 -14.782 12.719 1.00 0.00 N ATOM 0 H ASN A 117 -8.314 -14.331 8.834 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.019 -14.020 8.832 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.465 -15.120 10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -9.252 -13.527 11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -11.928 -14.920 13.298 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -10.175 -14.996 13.092 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.520 -11.190 9.506 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.725 -9.755 9.658 1.00 0.00 C ATOM 1347 C ARG A 118 -9.642 -9.048 8.309 1.00 0.00 C ATOM 1348 O ARG A 118 -9.022 -9.533 7.362 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.687 -9.169 10.617 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.015 -9.400 12.084 1.00 0.00 C ATOM 1351 CD ARG A 118 -7.870 -8.965 12.985 1.00 0.00 C ATOM 1352 NE ARG A 118 -8.291 -8.828 14.377 1.00 0.00 N ATOM 1353 CZ ARG A 118 -9.066 -7.843 14.817 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -9.502 -6.913 13.978 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -9.406 -7.786 16.098 1.00 0.00 N ATOM 0 H ARG A 118 -8.543 -11.470 9.422 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.721 -9.598 10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.713 -9.607 10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.602 -8.097 10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.917 -8.848 12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.228 -10.456 12.249 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.061 -9.693 12.921 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.472 -8.014 12.631 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.972 -9.527 15.048 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.242 -6.953 12.992 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -10.097 -6.158 14.318 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.072 -8.499 16.746 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -10.001 -7.029 16.434 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.283 -7.873 8.216 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.296 -7.074 6.987 1.00 0.00 C ATOM 1371 C PRO A 119 -8.933 -6.466 6.675 1.00 0.00 C ATOM 1372 O PRO A 119 -7.923 -6.848 7.268 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.315 -5.973 7.291 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.310 -5.851 8.776 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.042 -7.234 9.303 1.00 0.00 C ATOM 0 HA PRO A 119 -10.545 -7.676 6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.035 -5.033 6.816 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.305 -6.236 6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.543 -5.151 9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.265 -5.473 9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.470 -7.207 10.230 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -11.967 -7.769 9.515 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.911 -5.520 5.742 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.671 -4.860 5.354 1.00 0.00 C ATOM 1385 C ILE A 120 -7.533 -3.504 6.038 1.00 0.00 C ATOM 1386 O ILE A 120 -8.505 -2.762 6.167 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.593 -4.663 3.828 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.408 -3.763 3.469 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.892 -4.071 3.303 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.257 -3.529 1.982 1.00 0.00 C ATOM 0 H ILE A 120 -9.738 -5.194 5.241 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.855 -5.509 5.671 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.444 -5.635 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.527 -2.802 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.492 -4.211 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.821 -3.938 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.718 -4.745 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.069 -3.106 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.398 -2.883 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.107 -4.483 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.158 -3.052 1.595 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.317 -3.189 6.473 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.051 -1.922 7.144 1.00 0.00 C ATOM 1404 C GLN A 121 -5.153 -1.032 6.290 1.00 0.00 C ATOM 1405 O GLN A 121 -4.024 -1.401 5.967 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.399 -2.168 8.505 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.305 -2.887 9.492 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.594 -3.248 10.781 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -4.427 -3.642 10.770 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -6.294 -3.116 11.901 1.00 0.00 N ATOM 0 H GLN A 121 -5.501 -3.793 6.373 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.003 -1.412 7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.492 -2.755 8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.097 -1.212 8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.163 -2.254 9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.693 -3.794 9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -7.258 -2.786 11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.867 -3.344 12.799 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.662 0.141 5.928 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.905 1.084 5.113 1.00 0.00 C ATOM 1421 C VAL A 122 -4.981 2.493 5.689 1.00 0.00 C ATOM 1422 O VAL A 122 -6.068 3.028 5.910 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.417 1.106 3.660 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.510 1.960 2.787 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.522 -0.308 3.111 1.00 0.00 C ATOM 0 H VAL A 122 -6.595 0.461 6.186 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.868 0.748 5.120 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.413 1.550 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.887 1.964 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.491 2.980 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.501 1.549 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.885 -0.273 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.540 -0.781 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.216 -0.885 3.722 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.819 3.091 5.930 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.752 4.440 6.480 1.00 0.00 C ATOM 1437 C LYS A 123 -2.651 5.249 5.801 1.00 0.00 C ATOM 1438 O LYS A 123 -1.693 4.703 5.255 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.505 4.387 7.989 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.442 3.381 8.396 1.00 0.00 C ATOM 1441 CD LYS A 123 -3.041 2.006 8.642 1.00 0.00 C ATOM 1442 CE LYS A 123 -2.238 1.224 9.670 1.00 0.00 C ATOM 1443 NZ LYS A 123 -2.704 -0.185 9.783 1.00 0.00 N ATOM 0 H LYS A 123 -2.910 2.662 5.753 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.707 4.930 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.208 5.377 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.439 4.140 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.685 3.315 7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.939 3.727 9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -4.070 2.112 8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.075 1.450 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.184 1.237 9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.318 1.712 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -2.050 -0.719 10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -3.656 -0.203 10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.732 -0.618 8.838 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.789 6.583 5.838 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.814 7.496 5.233 1.00 0.00 C ATOM 1459 C PRO A 124 -0.490 7.513 5.989 1.00 0.00 C ATOM 1460 O PRO A 124 -0.268 8.362 6.852 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.501 8.861 5.326 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.442 8.733 6.473 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.906 7.303 6.472 1.00 0.00 C ATOM 0 HA PRO A 124 -1.556 7.202 4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.777 9.658 5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.031 9.101 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -2.948 8.982 7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.284 9.416 6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.095 6.941 7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.833 7.181 5.911 1.00 0.00 H new ATOM 1471 N ALA A 125 0.388 6.571 5.659 1.00 0.00 N ATOM 1472 CA ALA A 125 1.691 6.481 6.305 1.00 0.00 C ATOM 1473 C ALA A 125 2.269 7.866 6.572 1.00 0.00 C ATOM 1474 O ALA A 125 2.744 8.538 5.658 1.00 0.00 O ATOM 1475 CB ALA A 125 2.648 5.664 5.450 1.00 0.00 C ATOM 0 H ALA A 125 0.220 5.859 4.948 1.00 0.00 H new ATOM 0 HA ALA A 125 1.559 5.980 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.618 5.605 5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.248 4.659 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.765 6.142 4.477 1.00 0.00 H new