USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=14 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= -2.03! X(o=-2!,f=-1.6) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.9!) USER MOD Single : A 60 GLN : amide:sc=-0.00761 X(o=-0.0076,f=0) 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 11:sc= 0.0155 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-7.5!) USER MOD Single : A 87 LYS NZ :NH3+ -144:sc= 0.0698 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.608 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 13:sc= 0.00677 USER MOD Single : A 95 CYS SG : rot -87:sc= -0.0943 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.449) USER MOD Single : A 104 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.68) USER MOD Single : A 105 SER OG : rot -46:sc= 0.055 USER MOD Single : A 108 HIS : no HD1:sc= -0.339 K(o=-0.34,f=-3.7!) USER MOD Single : A 110 GLN : amide:sc= -7.18! C(o=-7.2!,f=-6.5!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 116 MET CE :methyl -172:sc= 0 (180deg=-0.0328) USER MOD Single : A 117 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.1) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.045) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.579 13.786 -6.873 1.00 0.00 N ATOM 136 CA ASP A 42 1.102 15.117 -6.516 1.00 0.00 C ATOM 137 C ASP A 42 1.994 15.747 -5.451 1.00 0.00 C ATOM 138 O ASP A 42 2.399 15.085 -4.495 1.00 0.00 O ATOM 139 CB ASP A 42 -0.341 15.047 -6.014 1.00 0.00 C ATOM 140 CG ASP A 42 -1.352 15.200 -7.134 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.129 14.622 -8.218 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.367 15.897 -6.925 1.00 0.00 O ATOM 0 HA ASP A 42 1.138 15.740 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.502 14.093 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.503 15.830 -5.273 1.00 0.00 H new ATOM 147 N HIS A 43 2.297 17.030 -5.623 1.00 0.00 N ATOM 148 CA HIS A 43 3.142 17.750 -4.677 1.00 0.00 C ATOM 149 C HIS A 43 2.661 17.533 -3.245 1.00 0.00 C ATOM 150 O HIS A 43 3.465 17.447 -2.317 1.00 0.00 O ATOM 151 CB HIS A 43 3.152 19.243 -5.003 1.00 0.00 C ATOM 152 CG HIS A 43 1.902 19.956 -4.586 1.00 0.00 C ATOM 153 ND1 HIS A 43 1.758 20.567 -3.359 1.00 0.00 N ATOM 154 CD2 HIS A 43 0.735 20.154 -5.243 1.00 0.00 C ATOM 155 CE1 HIS A 43 0.556 21.109 -3.277 1.00 0.00 C ATOM 156 NE2 HIS A 43 -0.085 20.873 -4.408 1.00 0.00 N ATOM 0 H HIS A 43 1.970 17.592 -6.409 1.00 0.00 H new ATOM 0 HA HIS A 43 4.156 17.360 -4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.007 19.708 -4.512 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.293 19.371 -6.076 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.494 19.811 -6.238 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.164 21.652 -2.430 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.034 21.176 -4.626 1.00 0.00 H new ATOM 165 N ASP A 44 1.347 17.445 -3.075 1.00 0.00 N ATOM 166 CA ASP A 44 0.759 17.238 -1.757 1.00 0.00 C ATOM 167 C ASP A 44 0.135 15.850 -1.652 1.00 0.00 C ATOM 168 O ASP A 44 -0.852 15.654 -0.943 1.00 0.00 O ATOM 169 CB ASP A 44 -0.296 18.308 -1.471 1.00 0.00 C ATOM 170 CG ASP A 44 -1.569 18.093 -2.267 1.00 0.00 C ATOM 171 OD1 ASP A 44 -1.470 17.772 -3.470 1.00 0.00 O ATOM 172 OD2 ASP A 44 -2.664 18.245 -1.686 1.00 0.00 O ATOM 0 H ASP A 44 0.668 17.514 -3.833 1.00 0.00 H new ATOM 0 HA ASP A 44 1.554 17.316 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.532 18.306 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.114 19.290 -1.705 1.00 0.00 H new ATOM 177 N ALA A 45 0.716 14.890 -2.363 1.00 0.00 N ATOM 178 CA ALA A 45 0.218 13.521 -2.350 1.00 0.00 C ATOM 179 C ALA A 45 0.424 12.875 -0.983 1.00 0.00 C ATOM 180 O ALA A 45 0.988 13.488 -0.076 1.00 0.00 O ATOM 181 CB ALA A 45 0.903 12.699 -3.432 1.00 0.00 C ATOM 0 H ALA A 45 1.533 15.036 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.853 13.549 -2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.521 11.678 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.701 13.141 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.978 12.688 -3.254 1.00 0.00 H new ATOM 187 N ILE A 46 -0.037 11.637 -0.844 1.00 0.00 N ATOM 188 CA ILE A 46 0.097 10.909 0.412 1.00 0.00 C ATOM 189 C ILE A 46 0.580 9.483 0.172 1.00 0.00 C ATOM 190 O ILE A 46 0.484 8.961 -0.939 1.00 0.00 O ATOM 191 CB ILE A 46 -1.235 10.866 1.183 1.00 0.00 C ATOM 192 CG1 ILE A 46 -1.842 12.267 1.276 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.025 10.280 2.571 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.267 12.276 1.784 1.00 0.00 C ATOM 0 H ILE A 46 -0.507 11.117 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 46 0.835 11.444 1.009 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.931 10.225 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.226 12.878 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.813 12.733 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.976 10.256 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.633 9.267 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.315 10.897 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.633 13.302 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.896 11.692 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.300 11.840 2.782 1.00 0.00 H new ATOM 206 N LYS A 47 1.098 8.855 1.222 1.00 0.00 N ATOM 207 CA LYS A 47 1.594 7.487 1.128 1.00 0.00 C ATOM 208 C LYS A 47 0.762 6.547 1.995 1.00 0.00 C ATOM 209 O LYS A 47 0.844 6.584 3.223 1.00 0.00 O ATOM 210 CB LYS A 47 3.063 7.424 1.553 1.00 0.00 C ATOM 211 CG LYS A 47 3.594 6.009 1.699 1.00 0.00 C ATOM 212 CD LYS A 47 5.083 5.938 1.404 1.00 0.00 C ATOM 213 CE LYS A 47 5.745 4.788 2.147 1.00 0.00 C ATOM 214 NZ LYS A 47 7.230 4.885 2.108 1.00 0.00 N ATOM 0 H LYS A 47 1.185 9.272 2.149 1.00 0.00 H new ATOM 0 HA LYS A 47 1.509 7.167 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.668 7.956 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.181 7.947 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.405 5.651 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.056 5.346 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.237 5.816 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.557 6.877 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.408 4.784 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.431 3.842 1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.644 4.083 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.553 4.864 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.531 5.776 2.552 1.00 0.00 H new ATOM 228 N LEU A 48 -0.035 5.704 1.348 1.00 0.00 N ATOM 229 CA LEU A 48 -0.881 4.752 2.060 1.00 0.00 C ATOM 230 C LEU A 48 -0.088 3.510 2.456 1.00 0.00 C ATOM 231 O LEU A 48 0.736 3.016 1.688 1.00 0.00 O ATOM 232 CB LEU A 48 -2.076 4.353 1.193 1.00 0.00 C ATOM 233 CG LEU A 48 -3.152 5.422 1.000 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.244 4.919 0.069 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.741 5.834 2.341 1.00 0.00 C ATOM 0 H LEU A 48 -0.113 5.660 0.332 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.244 5.234 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.705 4.058 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.542 3.472 1.635 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.689 6.297 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.001 5.694 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.811 4.675 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.704 4.028 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.505 6.595 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.188 4.965 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.952 6.237 2.976 1.00 0.00 H new ATOM 247 N PHE A 49 -0.346 3.009 3.660 1.00 0.00 N ATOM 248 CA PHE A 49 0.342 1.824 4.158 1.00 0.00 C ATOM 249 C PHE A 49 -0.658 0.750 4.575 1.00 0.00 C ATOM 250 O PHE A 49 -1.560 1.002 5.375 1.00 0.00 O ATOM 251 CB PHE A 49 1.239 2.189 5.343 1.00 0.00 C ATOM 252 CG PHE A 49 1.533 1.031 6.252 1.00 0.00 C ATOM 253 CD1 PHE A 49 0.659 0.696 7.274 1.00 0.00 C ATOM 254 CD2 PHE A 49 2.683 0.276 6.086 1.00 0.00 C ATOM 255 CE1 PHE A 49 0.925 -0.370 8.113 1.00 0.00 C ATOM 256 CE2 PHE A 49 2.954 -0.791 6.921 1.00 0.00 C ATOM 257 CZ PHE A 49 2.076 -1.114 7.936 1.00 0.00 C ATOM 0 H PHE A 49 -1.026 3.405 4.308 1.00 0.00 H new ATOM 0 HA PHE A 49 0.960 1.428 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.179 2.592 4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.761 2.981 5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.241 1.275 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.375 0.524 5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.235 -0.621 8.905 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.853 -1.372 6.779 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.288 -1.946 8.590 1.00 0.00 H new ATOM 267 N VAL A 50 -0.491 -0.450 4.028 1.00 0.00 N ATOM 268 CA VAL A 50 -1.378 -1.564 4.342 1.00 0.00 C ATOM 269 C VAL A 50 -0.714 -2.539 5.307 1.00 0.00 C ATOM 270 O VAL A 50 0.472 -2.841 5.183 1.00 0.00 O ATOM 271 CB VAL A 50 -1.798 -2.324 3.070 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.911 -3.312 3.381 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.228 -1.348 1.985 1.00 0.00 C ATOM 0 H VAL A 50 0.251 -0.676 3.365 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.265 -1.139 4.811 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.939 -2.886 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.194 -3.839 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.563 -4.031 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.775 -2.775 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.522 -1.902 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.073 -0.758 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.398 -0.684 1.743 1.00 0.00 H new ATOM 283 N GLY A 51 -1.488 -3.030 6.271 1.00 0.00 N ATOM 284 CA GLY A 51 -0.958 -3.966 7.244 1.00 0.00 C ATOM 285 C GLY A 51 -1.812 -5.212 7.375 1.00 0.00 C ATOM 286 O GLY A 51 -1.872 -5.821 8.442 1.00 0.00 O ATOM 0 H GLY A 51 -2.473 -2.796 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.054 -4.251 6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.886 -3.475 8.214 1.00 0.00 H new ATOM 290 N GLN A 52 -2.475 -5.590 6.286 1.00 0.00 N ATOM 291 CA GLN A 52 -3.331 -6.770 6.286 1.00 0.00 C ATOM 292 C GLN A 52 -3.055 -7.643 5.066 1.00 0.00 C ATOM 293 O GLN A 52 -3.978 -8.180 4.453 1.00 0.00 O ATOM 294 CB GLN A 52 -4.804 -6.357 6.309 1.00 0.00 C ATOM 295 CG GLN A 52 -5.736 -7.454 6.799 1.00 0.00 C ATOM 296 CD GLN A 52 -5.943 -7.416 8.300 1.00 0.00 C ATOM 297 OE1 GLN A 52 -6.171 -6.354 8.880 1.00 0.00 O ATOM 298 NE2 GLN A 52 -5.865 -8.578 8.938 1.00 0.00 N ATOM 0 H GLN A 52 -2.436 -5.097 5.394 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.109 -7.349 7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.918 -5.482 6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.105 -6.058 5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.700 -7.356 6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.329 -8.425 6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.674 -9.434 8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.996 -8.615 9.949 1.00 0.00 H new ATOM 307 N ILE A 53 -1.780 -7.779 4.719 1.00 0.00 N ATOM 308 CA ILE A 53 -1.382 -8.587 3.572 1.00 0.00 C ATOM 309 C ILE A 53 -0.843 -9.943 4.016 1.00 0.00 C ATOM 310 O ILE A 53 0.205 -10.043 4.653 1.00 0.00 O ATOM 311 CB ILE A 53 -0.312 -7.874 2.725 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.758 -6.448 2.395 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.038 -8.657 1.450 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.358 -5.571 1.873 1.00 0.00 C ATOM 0 H ILE A 53 -1.004 -7.340 5.215 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.275 -8.734 2.965 1.00 0.00 H new ATOM 0 HB ILE A 53 0.611 -7.821 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.555 -6.488 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.179 -5.991 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.720 -8.140 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.318 -9.655 1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.956 -8.737 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.031 -4.575 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.146 -5.500 2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.764 -6.005 0.959 1.00 0.00 H new ATOM 326 N PRO A 54 -1.575 -11.012 3.670 1.00 0.00 N ATOM 327 CA PRO A 54 -1.189 -12.382 4.020 1.00 0.00 C ATOM 328 C PRO A 54 0.041 -12.852 3.251 1.00 0.00 C ATOM 329 O PRO A 54 0.766 -12.046 2.668 1.00 0.00 O ATOM 330 CB PRO A 54 -2.416 -13.208 3.625 1.00 0.00 C ATOM 331 CG PRO A 54 -3.085 -12.408 2.562 1.00 0.00 C ATOM 332 CD PRO A 54 -2.836 -10.966 2.911 1.00 0.00 C ATOM 0 HA PRO A 54 -0.918 -12.473 5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.128 -14.193 3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.078 -13.366 4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.679 -12.648 1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.153 -12.622 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.746 -10.346 2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.649 -10.551 3.507 1.00 0.00 H new ATOM 340 N ARG A 55 0.269 -14.162 3.252 1.00 0.00 N ATOM 341 CA ARG A 55 1.411 -14.739 2.554 1.00 0.00 C ATOM 342 C ARG A 55 0.962 -15.496 1.308 1.00 0.00 C ATOM 343 O ARG A 55 -0.021 -16.235 1.339 1.00 0.00 O ATOM 344 CB ARG A 55 2.183 -15.677 3.483 1.00 0.00 C ATOM 345 CG ARG A 55 1.291 -16.477 4.419 1.00 0.00 C ATOM 346 CD ARG A 55 2.098 -17.456 5.257 1.00 0.00 C ATOM 347 NE ARG A 55 1.276 -18.554 5.759 1.00 0.00 N ATOM 348 CZ ARG A 55 0.389 -18.420 6.738 1.00 0.00 C ATOM 349 NH1 ARG A 55 0.209 -17.241 7.318 1.00 0.00 N ATOM 350 NH2 ARG A 55 -0.321 -19.467 7.139 1.00 0.00 N ATOM 0 H ARG A 55 -0.322 -14.843 3.728 1.00 0.00 H new ATOM 0 HA ARG A 55 2.066 -13.924 2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.774 -16.367 2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.885 -15.091 4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.748 -15.797 5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.547 -17.021 3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.914 -17.859 4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.550 -16.928 6.097 1.00 0.00 H new ATOM 0 HE ARG A 55 1.390 -19.474 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.753 -16.434 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.473 -17.141 8.070 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.185 -20.375 6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.002 -19.363 7.891 1.00 0.00 H new ATOM 364 N GLY A 56 1.689 -15.306 0.211 1.00 0.00 N ATOM 365 CA GLY A 56 1.349 -15.977 -1.030 1.00 0.00 C ATOM 366 C GLY A 56 0.954 -15.006 -2.125 1.00 0.00 C ATOM 367 O GLY A 56 0.949 -15.357 -3.305 1.00 0.00 O ATOM 0 H GLY A 56 2.507 -14.699 0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.201 -16.570 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.528 -16.671 -0.851 1.00 0.00 H new ATOM 371 N LEU A 57 0.620 -13.781 -1.734 1.00 0.00 N ATOM 372 CA LEU A 57 0.219 -12.755 -2.691 1.00 0.00 C ATOM 373 C LEU A 57 1.368 -11.792 -2.971 1.00 0.00 C ATOM 374 O LEU A 57 2.387 -11.809 -2.279 1.00 0.00 O ATOM 375 CB LEU A 57 -0.992 -11.983 -2.164 1.00 0.00 C ATOM 376 CG LEU A 57 -2.236 -12.816 -1.853 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.370 -11.923 -1.374 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.663 -13.614 -3.076 1.00 0.00 C ATOM 0 H LEU A 57 0.619 -13.474 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.051 -13.250 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.695 -11.457 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.262 -11.224 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.991 -13.516 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.247 -12.533 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.062 -11.397 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.615 -11.198 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.550 -14.201 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.890 -12.931 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.855 -14.282 -3.374 1.00 0.00 H new ATOM 390 N ASP A 58 1.197 -10.954 -3.986 1.00 0.00 N ATOM 391 CA ASP A 58 2.219 -9.981 -4.356 1.00 0.00 C ATOM 392 C ASP A 58 1.583 -8.676 -4.824 1.00 0.00 C ATOM 393 O ASP A 58 0.359 -8.551 -4.865 1.00 0.00 O ATOM 394 CB ASP A 58 3.119 -10.547 -5.455 1.00 0.00 C ATOM 395 CG ASP A 58 3.629 -11.936 -5.127 1.00 0.00 C ATOM 396 OD1 ASP A 58 4.641 -12.041 -4.402 1.00 0.00 O ATOM 397 OD2 ASP A 58 3.017 -12.919 -5.596 1.00 0.00 O ATOM 0 H ASP A 58 0.360 -10.928 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 58 2.824 -9.773 -3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.566 -10.579 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.966 -9.878 -5.607 1.00 0.00 H new ATOM 402 N GLU A 59 2.422 -7.706 -5.175 1.00 0.00 N ATOM 403 CA GLU A 59 1.940 -6.410 -5.638 1.00 0.00 C ATOM 404 C GLU A 59 1.018 -6.572 -6.843 1.00 0.00 C ATOM 405 O GLU A 59 0.221 -5.685 -7.150 1.00 0.00 O ATOM 406 CB GLU A 59 3.118 -5.504 -6.002 1.00 0.00 C ATOM 407 CG GLU A 59 4.080 -5.265 -4.850 1.00 0.00 C ATOM 408 CD GLU A 59 5.491 -4.967 -5.321 1.00 0.00 C ATOM 409 OE1 GLU A 59 5.645 -4.465 -6.454 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.440 -5.235 -4.555 1.00 0.00 O ATOM 0 H GLU A 59 3.438 -7.793 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 59 1.374 -5.950 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.664 -5.949 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.734 -4.545 -6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.719 -4.432 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.094 -6.144 -4.205 1.00 0.00 H new ATOM 417 N GLN A 60 1.133 -7.709 -7.521 1.00 0.00 N ATOM 418 CA GLN A 60 0.310 -7.986 -8.692 1.00 0.00 C ATOM 419 C GLN A 60 -1.106 -8.377 -8.283 1.00 0.00 C ATOM 420 O GLN A 60 -2.047 -8.246 -9.066 1.00 0.00 O ATOM 421 CB GLN A 60 0.938 -9.101 -9.530 1.00 0.00 C ATOM 422 CG GLN A 60 0.804 -10.481 -8.905 1.00 0.00 C ATOM 423 CD GLN A 60 1.197 -11.593 -9.857 1.00 0.00 C ATOM 424 OE1 GLN A 60 2.163 -12.318 -9.619 1.00 0.00 O ATOM 425 NE2 GLN A 60 0.446 -11.735 -10.944 1.00 0.00 N ATOM 0 H GLN A 60 1.788 -8.453 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 60 0.257 -7.077 -9.291 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.471 -9.111 -10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.995 -8.880 -9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.428 -10.534 -8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.226 -10.631 -8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.346 -11.112 -11.102 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.661 -12.467 -11.621 1.00 0.00 H new ATOM 434 N ASP A 61 -1.249 -8.858 -7.053 1.00 0.00 N ATOM 435 CA ASP A 61 -2.551 -9.268 -6.540 1.00 0.00 C ATOM 436 C ASP A 61 -3.235 -8.116 -5.810 1.00 0.00 C ATOM 437 O ASP A 61 -4.444 -8.145 -5.576 1.00 0.00 O ATOM 438 CB ASP A 61 -2.399 -10.465 -5.599 1.00 0.00 C ATOM 439 CG ASP A 61 -3.696 -11.228 -5.419 1.00 0.00 C ATOM 440 OD1 ASP A 61 -4.283 -11.650 -6.437 1.00 0.00 O ATOM 441 OD2 ASP A 61 -4.124 -11.404 -4.259 1.00 0.00 O ATOM 0 H ASP A 61 -0.480 -8.974 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.172 -9.558 -7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.637 -11.138 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.047 -10.117 -4.628 1.00 0.00 H new ATOM 446 N LEU A 62 -2.453 -7.103 -5.452 1.00 0.00 N ATOM 447 CA LEU A 62 -2.983 -5.940 -4.747 1.00 0.00 C ATOM 448 C LEU A 62 -3.317 -4.817 -5.724 1.00 0.00 C ATOM 449 O LEU A 62 -4.226 -4.022 -5.485 1.00 0.00 O ATOM 450 CB LEU A 62 -1.974 -5.445 -3.709 1.00 0.00 C ATOM 451 CG LEU A 62 -1.573 -6.452 -2.630 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.406 -5.921 -1.812 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.758 -6.767 -1.729 1.00 0.00 C ATOM 0 H LEU A 62 -1.451 -7.063 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.900 -6.240 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.073 -5.124 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.389 -4.564 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.258 -7.374 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.134 -6.651 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.448 -5.746 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.694 -4.985 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.455 -7.485 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.103 -5.852 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.566 -7.190 -2.325 1.00 0.00 H new ATOM 465 N LYS A 63 -2.578 -4.759 -6.826 1.00 0.00 N ATOM 466 CA LYS A 63 -2.797 -3.737 -7.842 1.00 0.00 C ATOM 467 C LYS A 63 -4.241 -3.758 -8.333 1.00 0.00 C ATOM 468 O LYS A 63 -4.893 -2.722 -8.463 1.00 0.00 O ATOM 469 CB LYS A 63 -1.843 -3.947 -9.021 1.00 0.00 C ATOM 470 CG LYS A 63 -0.548 -3.162 -8.902 1.00 0.00 C ATOM 471 CD LYS A 63 0.559 -3.785 -9.736 1.00 0.00 C ATOM 472 CE LYS A 63 0.269 -3.668 -11.224 1.00 0.00 C ATOM 473 NZ LYS A 63 1.478 -3.947 -12.049 1.00 0.00 N ATOM 0 H LYS A 63 -1.821 -5.409 -7.039 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.599 -2.764 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.609 -5.008 -9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.349 -3.660 -9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.713 -2.134 -9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.240 -3.123 -7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.506 -3.295 -9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.671 -4.835 -9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.524 -4.365 -11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.098 -2.666 -11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.239 -3.857 -13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.227 -3.266 -11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.814 -4.913 -11.858 1.00 0.00 H new ATOM 487 N PRO A 64 -4.754 -4.965 -8.611 1.00 0.00 N ATOM 488 CA PRO A 64 -6.128 -5.150 -9.090 1.00 0.00 C ATOM 489 C PRO A 64 -7.142 -4.376 -8.255 1.00 0.00 C ATOM 490 O PRO A 64 -8.002 -3.679 -8.794 1.00 0.00 O ATOM 491 CB PRO A 64 -6.354 -6.657 -8.945 1.00 0.00 C ATOM 492 CG PRO A 64 -4.992 -7.255 -9.030 1.00 0.00 C ATOM 493 CD PRO A 64 -4.034 -6.243 -8.479 1.00 0.00 C ATOM 0 HA PRO A 64 -6.258 -4.782 -10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.832 -6.896 -7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.003 -7.038 -9.734 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.942 -8.183 -8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.742 -7.500 -10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.783 -6.455 -7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.098 -6.234 -9.037 1.00 0.00 H new ATOM 501 N LEU A 65 -7.036 -4.502 -6.937 1.00 0.00 N ATOM 502 CA LEU A 65 -7.944 -3.814 -6.026 1.00 0.00 C ATOM 503 C LEU A 65 -7.690 -2.310 -6.038 1.00 0.00 C ATOM 504 O LEU A 65 -8.605 -1.517 -6.260 1.00 0.00 O ATOM 505 CB LEU A 65 -7.783 -4.358 -4.606 1.00 0.00 C ATOM 506 CG LEU A 65 -8.415 -5.724 -4.335 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.096 -6.189 -2.923 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.920 -5.668 -4.554 1.00 0.00 C ATOM 0 H LEU A 65 -6.330 -5.075 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.964 -3.995 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.718 -4.422 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.213 -3.637 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.993 -6.444 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.554 -7.163 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.016 -6.269 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.489 -5.469 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.353 -6.649 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.359 -4.935 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.127 -5.381 -5.585 1.00 0.00 H new ATOM 520 N PHE A 66 -6.441 -1.924 -5.800 1.00 0.00 N ATOM 521 CA PHE A 66 -6.066 -0.515 -5.785 1.00 0.00 C ATOM 522 C PHE A 66 -6.384 0.148 -7.122 1.00 0.00 C ATOM 523 O PHE A 66 -6.578 1.360 -7.195 1.00 0.00 O ATOM 524 CB PHE A 66 -4.576 -0.365 -5.471 1.00 0.00 C ATOM 525 CG PHE A 66 -4.177 -0.971 -4.156 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.996 -0.850 -3.045 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.982 -1.662 -4.030 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.631 -1.406 -1.834 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.612 -2.221 -2.821 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.438 -2.093 -1.722 1.00 0.00 C ATOM 0 H PHE A 66 -5.671 -2.567 -5.615 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.647 -0.020 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.996 -0.831 -6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.318 0.694 -5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.931 -0.315 -3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.332 -1.765 -4.887 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.278 -1.304 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.678 -2.757 -2.736 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.152 -2.529 -0.776 1.00 0.00 H new ATOM 540 N GLU A 67 -6.434 -0.659 -8.178 1.00 0.00 N ATOM 541 CA GLU A 67 -6.727 -0.151 -9.513 1.00 0.00 C ATOM 542 C GLU A 67 -8.224 0.090 -9.687 1.00 0.00 C ATOM 543 O GLU A 67 -8.672 0.542 -10.741 1.00 0.00 O ATOM 544 CB GLU A 67 -6.231 -1.132 -10.577 1.00 0.00 C ATOM 545 CG GLU A 67 -4.780 -0.916 -10.974 1.00 0.00 C ATOM 546 CD GLU A 67 -4.444 -1.538 -12.316 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.583 -2.772 -12.449 1.00 0.00 O ATOM 548 OE2 GLU A 67 -4.043 -0.791 -13.233 1.00 0.00 O ATOM 0 H GLU A 67 -6.276 -1.666 -8.135 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.206 0.799 -9.634 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.350 -2.150 -10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.859 -1.042 -11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.573 0.153 -11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.131 -1.340 -10.208 1.00 0.00 H new ATOM 555 N GLU A 68 -8.992 -0.215 -8.646 1.00 0.00 N ATOM 556 CA GLU A 68 -10.438 -0.033 -8.684 1.00 0.00 C ATOM 557 C GLU A 68 -10.819 1.383 -8.264 1.00 0.00 C ATOM 558 O GLU A 68 -11.924 1.849 -8.543 1.00 0.00 O ATOM 559 CB GLU A 68 -11.127 -1.050 -7.772 1.00 0.00 C ATOM 560 CG GLU A 68 -12.622 -1.169 -8.013 1.00 0.00 C ATOM 561 CD GLU A 68 -13.247 -2.320 -7.248 1.00 0.00 C ATOM 562 OE1 GLU A 68 -13.322 -2.235 -6.004 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.660 -3.306 -7.893 1.00 0.00 O ATOM 0 H GLU A 68 -8.637 -0.589 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.771 -0.192 -9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.665 -2.027 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.956 -0.768 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.108 -0.238 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.805 -1.305 -9.079 1.00 0.00 H new ATOM 570 N PHE A 69 -9.897 2.063 -7.592 1.00 0.00 N ATOM 571 CA PHE A 69 -10.136 3.426 -7.131 1.00 0.00 C ATOM 572 C PHE A 69 -9.474 4.438 -8.062 1.00 0.00 C ATOM 573 O PHE A 69 -10.090 5.425 -8.463 1.00 0.00 O ATOM 574 CB PHE A 69 -9.608 3.606 -5.706 1.00 0.00 C ATOM 575 CG PHE A 69 -10.184 2.624 -4.726 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.403 2.869 -4.115 1.00 0.00 C ATOM 577 CD2 PHE A 69 -9.506 1.456 -4.416 1.00 0.00 C ATOM 578 CE1 PHE A 69 -11.934 1.968 -3.212 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.033 0.551 -3.514 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.249 0.807 -2.912 1.00 0.00 C ATOM 0 H PHE A 69 -8.977 1.693 -7.354 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.212 3.601 -7.137 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.523 3.506 -5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.832 4.618 -5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.944 3.774 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.555 1.250 -4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.884 2.172 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.494 -0.355 -3.280 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.664 0.101 -2.208 1.00 0.00 H new ATOM 590 N GLY A 70 -8.213 4.186 -8.401 1.00 0.00 N ATOM 591 CA GLY A 70 -7.488 5.083 -9.281 1.00 0.00 C ATOM 592 C GLY A 70 -6.187 4.483 -9.777 1.00 0.00 C ATOM 593 O GLY A 70 -5.928 3.296 -9.578 1.00 0.00 O ATOM 0 H GLY A 70 -7.681 3.376 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.117 5.336 -10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.278 6.013 -8.753 1.00 0.00 H new ATOM 597 N ARG A 71 -5.368 5.304 -10.427 1.00 0.00 N ATOM 598 CA ARG A 71 -4.089 4.846 -10.956 1.00 0.00 C ATOM 599 C ARG A 71 -3.013 4.872 -9.874 1.00 0.00 C ATOM 600 O ARG A 71 -2.738 5.917 -9.283 1.00 0.00 O ATOM 601 CB ARG A 71 -3.661 5.718 -12.138 1.00 0.00 C ATOM 602 CG ARG A 71 -2.434 5.194 -12.867 1.00 0.00 C ATOM 603 CD ARG A 71 -2.289 5.831 -14.240 1.00 0.00 C ATOM 604 NE ARG A 71 -1.510 7.066 -14.191 1.00 0.00 N ATOM 605 CZ ARG A 71 -1.233 7.803 -15.261 1.00 0.00 C ATOM 606 NH1 ARG A 71 -1.668 7.432 -16.457 1.00 0.00 N ATOM 607 NH2 ARG A 71 -0.518 8.914 -15.135 1.00 0.00 N ATOM 0 H ARG A 71 -5.568 6.289 -10.600 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.212 3.818 -11.297 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.489 5.791 -12.843 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.457 6.727 -11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.542 5.398 -12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.506 4.112 -12.972 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.808 5.126 -14.918 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.278 6.042 -14.648 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.160 7.379 -13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.217 6.578 -16.558 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.454 8.000 -17.277 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.181 9.202 -14.216 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.305 9.480 -15.957 1.00 0.00 H new ATOM 621 N ILE A 72 -2.409 3.717 -9.620 1.00 0.00 N ATOM 622 CA ILE A 72 -1.363 3.608 -8.610 1.00 0.00 C ATOM 623 C ILE A 72 -0.087 4.309 -9.063 1.00 0.00 C ATOM 624 O ILE A 72 0.269 4.274 -10.241 1.00 0.00 O ATOM 625 CB ILE A 72 -1.041 2.136 -8.290 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.316 1.387 -7.896 1.00 0.00 C ATOM 627 CG2 ILE A 72 -0.005 2.050 -7.179 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.218 -0.111 -8.083 1.00 0.00 C ATOM 0 H ILE A 72 -2.625 2.843 -10.099 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.741 4.093 -7.710 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.627 1.667 -9.183 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.545 1.601 -6.852 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.148 1.766 -8.489 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.212 1.004 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.909 2.553 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.393 2.532 -6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.157 -0.577 -7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.019 -0.335 -9.131 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.407 -0.502 -7.469 1.00 0.00 H new ATOM 640 N TYR A 73 0.599 4.944 -8.119 1.00 0.00 N ATOM 641 CA TYR A 73 1.837 5.654 -8.421 1.00 0.00 C ATOM 642 C TYR A 73 3.052 4.825 -8.017 1.00 0.00 C ATOM 643 O TYR A 73 4.094 4.873 -8.671 1.00 0.00 O ATOM 644 CB TYR A 73 1.863 7.003 -7.700 1.00 0.00 C ATOM 645 CG TYR A 73 3.188 7.724 -7.814 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.204 7.499 -6.894 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.421 8.630 -8.841 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.416 8.156 -6.994 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.630 9.291 -8.949 1.00 0.00 C ATOM 650 CZ TYR A 73 5.624 9.050 -8.023 1.00 0.00 C ATOM 651 OH TYR A 73 6.828 9.707 -8.127 1.00 0.00 O ATOM 0 H TYR A 73 0.319 4.982 -7.139 1.00 0.00 H new ATOM 0 HA TYR A 73 1.877 5.823 -9.497 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.077 7.639 -8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.633 6.847 -6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.044 6.799 -6.087 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.645 8.821 -9.567 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.196 7.970 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.796 9.992 -9.754 1.00 0.00 H new ATOM 0 HH TYR A 73 6.811 10.300 -8.907 1.00 0.00 H new ATOM 661 N GLU A 74 2.910 4.065 -6.936 1.00 0.00 N ATOM 662 CA GLU A 74 3.997 3.225 -6.445 1.00 0.00 C ATOM 663 C GLU A 74 3.470 2.155 -5.494 1.00 0.00 C ATOM 664 O GLU A 74 2.677 2.442 -4.595 1.00 0.00 O ATOM 665 CB GLU A 74 5.050 4.079 -5.736 1.00 0.00 C ATOM 666 CG GLU A 74 6.276 3.295 -5.299 1.00 0.00 C ATOM 667 CD GLU A 74 7.456 4.189 -4.974 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.632 5.215 -5.665 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.204 3.864 -4.029 1.00 0.00 O ATOM 0 H GLU A 74 2.054 4.013 -6.384 1.00 0.00 H new ATOM 0 HA GLU A 74 4.456 2.731 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.362 4.883 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.598 4.547 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.026 2.697 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.559 2.600 -6.090 1.00 0.00 H new ATOM 676 N LEU A 75 3.914 0.920 -5.698 1.00 0.00 N ATOM 677 CA LEU A 75 3.488 -0.195 -4.859 1.00 0.00 C ATOM 678 C LEU A 75 4.663 -1.111 -4.533 1.00 0.00 C ATOM 679 O LEU A 75 5.292 -1.677 -5.428 1.00 0.00 O ATOM 680 CB LEU A 75 2.384 -0.991 -5.557 1.00 0.00 C ATOM 681 CG LEU A 75 1.742 -2.111 -4.737 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.440 -1.632 -3.325 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.475 -2.609 -5.416 1.00 0.00 C ATOM 0 H LEU A 75 4.569 0.665 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 75 3.099 0.212 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.601 -0.297 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.797 -1.426 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 75 2.447 -2.940 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.984 -2.442 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.366 -1.324 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.754 -0.786 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.031 -3.406 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.235 -1.787 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.720 -2.991 -6.407 1.00 0.00 H new ATOM 695 N THR A 76 4.954 -1.256 -3.244 1.00 0.00 N ATOM 696 CA THR A 76 6.052 -2.104 -2.799 1.00 0.00 C ATOM 697 C THR A 76 5.672 -2.883 -1.545 1.00 0.00 C ATOM 698 O THR A 76 5.031 -2.349 -0.640 1.00 0.00 O ATOM 699 CB THR A 76 7.320 -1.278 -2.511 1.00 0.00 C ATOM 700 OG1 THR A 76 7.953 -0.908 -3.741 1.00 0.00 O ATOM 701 CG2 THR A 76 8.295 -2.065 -1.649 1.00 0.00 C ATOM 0 H THR A 76 4.444 -0.797 -2.490 1.00 0.00 H new ATOM 0 HA THR A 76 6.259 -2.803 -3.609 1.00 0.00 H new ATOM 0 HB THR A 76 7.026 -0.379 -1.969 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.354 -1.109 -4.490 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.182 -1.461 -1.459 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.820 -2.319 -0.702 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.583 -2.980 -2.168 1.00 0.00 H new ATOM 709 N VAL A 77 6.072 -4.150 -1.497 1.00 0.00 N ATOM 710 CA VAL A 77 5.774 -5.003 -0.352 1.00 0.00 C ATOM 711 C VAL A 77 6.929 -5.009 0.644 1.00 0.00 C ATOM 712 O VAL A 77 8.089 -5.175 0.265 1.00 0.00 O ATOM 713 CB VAL A 77 5.482 -6.450 -0.791 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.216 -7.332 0.419 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.307 -6.487 -1.756 1.00 0.00 C ATOM 0 H VAL A 77 6.603 -4.608 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 77 4.886 -4.591 0.128 1.00 0.00 H new ATOM 0 HB VAL A 77 6.360 -6.838 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.012 -8.351 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.090 -7.330 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.355 -6.949 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.115 -7.517 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.422 -6.080 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.541 -5.890 -2.638 1.00 0.00 H new ATOM 725 N LEU A 78 6.603 -4.827 1.919 1.00 0.00 N ATOM 726 CA LEU A 78 7.613 -4.811 2.971 1.00 0.00 C ATOM 727 C LEU A 78 8.032 -6.230 3.345 1.00 0.00 C ATOM 728 O LEU A 78 7.200 -7.053 3.728 1.00 0.00 O ATOM 729 CB LEU A 78 7.081 -4.082 4.206 1.00 0.00 C ATOM 730 CG LEU A 78 7.159 -2.555 4.169 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.174 -1.947 5.156 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.575 -2.086 4.468 1.00 0.00 C ATOM 0 H LEU A 78 5.648 -4.689 2.249 1.00 0.00 H new ATOM 0 HA LEU A 78 8.487 -4.281 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.040 -4.369 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.634 -4.433 5.077 1.00 0.00 H new ATOM 0 HG LEU A 78 6.891 -2.220 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.243 -0.860 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.161 -2.256 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.411 -2.289 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.612 -0.997 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.871 -2.431 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.258 -2.493 3.723 1.00 0.00 H new ATOM 744 N LYS A 79 9.326 -6.508 3.235 1.00 0.00 N ATOM 745 CA LYS A 79 9.857 -7.825 3.564 1.00 0.00 C ATOM 746 C LYS A 79 10.999 -7.716 4.570 1.00 0.00 C ATOM 747 O LYS A 79 11.538 -6.632 4.795 1.00 0.00 O ATOM 748 CB LYS A 79 10.345 -8.533 2.298 1.00 0.00 C ATOM 749 CG LYS A 79 10.246 -10.047 2.371 1.00 0.00 C ATOM 750 CD LYS A 79 10.144 -10.666 0.987 1.00 0.00 C ATOM 751 CE LYS A 79 8.775 -10.427 0.370 1.00 0.00 C ATOM 752 NZ LYS A 79 8.839 -10.372 -1.117 1.00 0.00 N ATOM 0 H LYS A 79 10.027 -5.838 2.920 1.00 0.00 H new ATOM 0 HA LYS A 79 9.054 -8.410 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.763 -8.180 1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.382 -8.254 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.121 -10.445 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.374 -10.328 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.914 -10.245 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.333 -11.737 1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.095 -11.223 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.363 -9.492 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.886 -10.208 -1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.468 -9.597 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.208 -11.273 -1.482 1.00 0.00 H new ATOM 766 N ASP A 80 11.362 -8.844 5.170 1.00 0.00 N ATOM 767 CA ASP A 80 12.442 -8.875 6.150 1.00 0.00 C ATOM 768 C ASP A 80 13.799 -8.737 5.467 1.00 0.00 C ATOM 769 O ASP A 80 13.883 -8.655 4.242 1.00 0.00 O ATOM 770 CB ASP A 80 12.392 -10.174 6.955 1.00 0.00 C ATOM 771 CG ASP A 80 11.526 -10.054 8.194 1.00 0.00 C ATOM 772 OD1 ASP A 80 11.609 -9.012 8.876 1.00 0.00 O ATOM 773 OD2 ASP A 80 10.767 -11.004 8.482 1.00 0.00 O ATOM 0 H ASP A 80 10.925 -9.749 4.995 1.00 0.00 H new ATOM 0 HA ASP A 80 12.309 -8.032 6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.008 -10.975 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.403 -10.456 7.248 1.00 0.00 H new ATOM 778 N ARG A 81 14.859 -8.711 6.268 1.00 0.00 N ATOM 779 CA ARG A 81 16.212 -8.581 5.742 1.00 0.00 C ATOM 780 C ARG A 81 17.024 -9.845 6.011 1.00 0.00 C ATOM 781 O ARG A 81 17.632 -10.411 5.101 1.00 0.00 O ATOM 782 CB ARG A 81 16.911 -7.371 6.364 1.00 0.00 C ATOM 783 CG ARG A 81 16.368 -6.037 5.877 1.00 0.00 C ATOM 784 CD ARG A 81 16.765 -5.768 4.434 1.00 0.00 C ATOM 785 NE ARG A 81 18.182 -5.436 4.309 1.00 0.00 N ATOM 786 CZ ARG A 81 19.135 -6.340 4.115 1.00 0.00 C ATOM 787 NH1 ARG A 81 18.825 -7.626 4.024 1.00 0.00 N ATOM 788 NH2 ARG A 81 20.402 -5.959 4.011 1.00 0.00 N ATOM 0 H ARG A 81 14.807 -8.778 7.284 1.00 0.00 H new ATOM 0 HA ARG A 81 16.143 -8.437 4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.810 -7.421 7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 81 17.977 -7.423 6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.281 -6.032 5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 81 16.743 -5.236 6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.544 -6.646 3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.164 -4.948 4.040 1.00 0.00 H new ATOM 0 HE ARG A 81 18.455 -4.455 4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.852 -7.923 4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 81 19.559 -8.318 3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 81 20.645 -4.971 4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 81 21.133 -6.654 3.862 1.00 0.00 H new ATOM 802 N LEU A 82 17.031 -10.281 7.265 1.00 0.00 N ATOM 803 CA LEU A 82 17.769 -11.478 7.655 1.00 0.00 C ATOM 804 C LEU A 82 17.074 -12.736 7.145 1.00 0.00 C ATOM 805 O LEU A 82 17.727 -13.693 6.725 1.00 0.00 O ATOM 806 CB LEU A 82 17.911 -11.541 9.177 1.00 0.00 C ATOM 807 CG LEU A 82 18.979 -10.635 9.790 1.00 0.00 C ATOM 808 CD1 LEU A 82 18.420 -9.243 10.040 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.512 -11.237 11.082 1.00 0.00 C ATOM 0 H LEU A 82 16.534 -9.824 8.030 1.00 0.00 H new ATOM 0 HA LEU A 82 18.761 -11.426 7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.949 -11.287 9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 82 18.131 -12.571 9.459 1.00 0.00 H new ATOM 0 HG LEU A 82 19.805 -10.551 9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 82 19.195 -8.613 10.476 1.00 0.00 H new ATOM 0 HD12 LEU A 82 18.088 -8.809 9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.576 -9.308 10.726 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.271 -10.579 11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 82 18.695 -11.352 11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.952 -12.212 10.874 1.00 0.00 H new ATOM 821 N THR A 83 15.745 -12.729 7.183 1.00 0.00 N ATOM 822 CA THR A 83 14.962 -13.868 6.724 1.00 0.00 C ATOM 823 C THR A 83 14.371 -13.609 5.343 1.00 0.00 C ATOM 824 O THR A 83 14.199 -14.531 4.547 1.00 0.00 O ATOM 825 CB THR A 83 13.820 -14.197 7.704 1.00 0.00 C ATOM 826 OG1 THR A 83 13.059 -13.016 7.983 1.00 0.00 O ATOM 827 CG2 THR A 83 14.369 -14.770 9.002 1.00 0.00 C ATOM 0 H THR A 83 15.189 -11.946 7.527 1.00 0.00 H new ATOM 0 HA THR A 83 15.643 -14.718 6.672 1.00 0.00 H new ATOM 0 HB THR A 83 13.176 -14.943 7.239 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.334 -13.234 8.605 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.544 -14.995 9.678 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.924 -15.684 8.790 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.033 -14.042 9.469 1.00 0.00 H new ATOM 835 N GLY A 84 14.062 -12.346 5.063 1.00 0.00 N ATOM 836 CA GLY A 84 13.494 -11.988 3.777 1.00 0.00 C ATOM 837 C GLY A 84 12.120 -12.589 3.562 1.00 0.00 C ATOM 838 O GLY A 84 11.691 -12.789 2.425 1.00 0.00 O ATOM 0 H GLY A 84 14.195 -11.564 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.428 -10.903 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.162 -12.322 2.983 1.00 0.00 H new ATOM 842 N LEU A 85 11.426 -12.881 4.657 1.00 0.00 N ATOM 843 CA LEU A 85 10.091 -13.466 4.584 1.00 0.00 C ATOM 844 C LEU A 85 9.018 -12.390 4.716 1.00 0.00 C ATOM 845 O LEU A 85 9.041 -11.587 5.650 1.00 0.00 O ATOM 846 CB LEU A 85 9.913 -14.517 5.681 1.00 0.00 C ATOM 847 CG LEU A 85 10.809 -15.752 5.578 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.709 -16.591 6.843 1.00 0.00 C ATOM 849 CD2 LEU A 85 10.437 -16.581 4.357 1.00 0.00 C ATOM 0 H LEU A 85 11.765 -12.722 5.606 1.00 0.00 H new ATOM 0 HA LEU A 85 9.983 -13.944 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.093 -14.041 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.874 -14.845 5.677 1.00 0.00 H new ATOM 0 HG LEU A 85 11.841 -15.420 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.353 -17.465 6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.024 -15.996 7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.678 -16.914 6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.085 -17.456 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.399 -16.903 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.560 -15.979 3.457 1.00 0.00 H new ATOM 861 N HIS A 86 8.078 -12.381 3.777 1.00 0.00 N ATOM 862 CA HIS A 86 6.993 -11.405 3.790 1.00 0.00 C ATOM 863 C HIS A 86 6.566 -11.087 5.219 1.00 0.00 C ATOM 864 O HIS A 86 5.908 -11.893 5.877 1.00 0.00 O ATOM 865 CB HIS A 86 5.798 -11.929 2.993 1.00 0.00 C ATOM 866 CG HIS A 86 4.855 -10.853 2.550 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.121 -10.087 3.431 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.530 -10.415 1.312 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.384 -9.226 2.753 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.614 -9.404 1.465 1.00 0.00 N ATOM 0 H HIS A 86 8.045 -13.038 2.997 1.00 0.00 H new ATOM 0 HA HIS A 86 7.356 -10.488 3.325 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.163 -12.464 2.116 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.253 -12.650 3.603 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.919 -10.791 0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.708 -8.500 3.180 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.181 -8.876 0.707 1.00 0.00 H new ATOM 879 N LYS A 87 6.946 -9.906 5.696 1.00 0.00 N ATOM 880 CA LYS A 87 6.603 -9.479 7.047 1.00 0.00 C ATOM 881 C LYS A 87 5.090 -9.450 7.241 1.00 0.00 C ATOM 882 O LYS A 87 4.573 -9.950 8.238 1.00 0.00 O ATOM 883 CB LYS A 87 7.191 -8.095 7.332 1.00 0.00 C ATOM 884 CG LYS A 87 8.706 -8.088 7.435 1.00 0.00 C ATOM 885 CD LYS A 87 9.286 -6.745 7.024 1.00 0.00 C ATOM 886 CE LYS A 87 9.267 -5.753 8.177 1.00 0.00 C ATOM 887 NZ LYS A 87 10.433 -5.935 9.086 1.00 0.00 N ATOM 0 H LYS A 87 7.492 -9.227 5.166 1.00 0.00 H new ATOM 0 HA LYS A 87 7.028 -10.198 7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.886 -7.410 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.770 -7.715 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.003 -8.316 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.118 -8.873 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.310 -6.881 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.716 -6.342 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.270 -4.737 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.343 -5.872 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.140 -5.754 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.788 -6.909 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.187 -5.269 8.822 1.00 0.00 H new ATOM 901 N GLY A 88 4.386 -8.862 6.278 1.00 0.00 N ATOM 902 CA GLY A 88 2.939 -8.780 6.362 1.00 0.00 C ATOM 903 C GLY A 88 2.428 -7.363 6.190 1.00 0.00 C ATOM 904 O GLY A 88 1.527 -6.930 6.910 1.00 0.00 O ATOM 0 H GLY A 88 4.791 -8.441 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.497 -9.418 5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.612 -9.166 7.327 1.00 0.00 H new ATOM 908 N CYS A 89 3.003 -6.640 5.236 1.00 0.00 N ATOM 909 CA CYS A 89 2.602 -5.262 4.974 1.00 0.00 C ATOM 910 C CYS A 89 3.172 -4.773 3.647 1.00 0.00 C ATOM 911 O CYS A 89 4.046 -5.412 3.062 1.00 0.00 O ATOM 912 CB CYS A 89 3.065 -4.349 6.110 1.00 0.00 C ATOM 913 SG CYS A 89 4.730 -4.709 6.715 1.00 0.00 S ATOM 0 H CYS A 89 3.748 -6.985 4.631 1.00 0.00 H new ATOM 0 HA CYS A 89 1.514 -5.231 4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.030 -3.315 5.768 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.363 -4.434 6.939 1.00 0.00 H new ATOM 0 HG CYS A 89 5.032 -3.883 7.672 1.00 0.00 H new ATOM 919 N ALA A 90 2.671 -3.636 3.177 1.00 0.00 N ATOM 920 CA ALA A 90 3.131 -3.060 1.919 1.00 0.00 C ATOM 921 C ALA A 90 2.818 -1.569 1.850 1.00 0.00 C ATOM 922 O ALA A 90 1.850 -1.100 2.449 1.00 0.00 O ATOM 923 CB ALA A 90 2.499 -3.789 0.743 1.00 0.00 C ATOM 0 H ALA A 90 1.946 -3.095 3.648 1.00 0.00 H new ATOM 0 HA ALA A 90 4.213 -3.179 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.851 -3.349 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.778 -4.842 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.414 -3.699 0.800 1.00 0.00 H new ATOM 929 N PHE A 91 3.643 -0.829 1.117 1.00 0.00 N ATOM 930 CA PHE A 91 3.455 0.609 0.972 1.00 0.00 C ATOM 931 C PHE A 91 2.805 0.940 -0.368 1.00 0.00 C ATOM 932 O PHE A 91 3.400 0.737 -1.427 1.00 0.00 O ATOM 933 CB PHE A 91 4.796 1.336 1.094 1.00 0.00 C ATOM 934 CG PHE A 91 5.230 1.558 2.515 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.408 2.226 3.408 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.460 1.099 2.957 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.806 2.433 4.715 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.863 1.302 4.264 1.00 0.00 C ATOM 939 CZ PHE A 91 6.034 1.969 5.144 1.00 0.00 C ATOM 0 H PHE A 91 4.448 -1.202 0.614 1.00 0.00 H new ATOM 0 HA PHE A 91 2.793 0.945 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.561 0.759 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.725 2.300 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.445 2.589 3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.112 0.576 2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.157 2.957 5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.825 0.939 4.596 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.345 2.128 6.166 1.00 0.00 H new ATOM 949 N LEU A 92 1.580 1.451 -0.314 1.00 0.00 N ATOM 950 CA LEU A 92 0.846 1.810 -1.523 1.00 0.00 C ATOM 951 C LEU A 92 0.790 3.325 -1.696 1.00 0.00 C ATOM 952 O LEU A 92 0.516 4.060 -0.746 1.00 0.00 O ATOM 953 CB LEU A 92 -0.571 1.238 -1.473 1.00 0.00 C ATOM 954 CG LEU A 92 -1.545 1.762 -2.529 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.164 1.247 -3.908 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.972 1.362 -2.184 1.00 0.00 C ATOM 0 H LEU A 92 1.074 1.626 0.554 1.00 0.00 H new ATOM 0 HA LEU A 92 1.372 1.384 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.507 0.154 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.990 1.444 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.487 2.850 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.868 1.630 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.158 1.584 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.193 0.157 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.651 1.743 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.046 0.275 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.243 1.780 -1.215 1.00 0.00 H new ATOM 968 N THR A 93 1.049 3.786 -2.916 1.00 0.00 N ATOM 969 CA THR A 93 1.026 5.213 -3.214 1.00 0.00 C ATOM 970 C THR A 93 0.069 5.520 -4.360 1.00 0.00 C ATOM 971 O THR A 93 -0.011 4.770 -5.333 1.00 0.00 O ATOM 972 CB THR A 93 2.429 5.732 -3.579 1.00 0.00 C ATOM 973 OG1 THR A 93 3.367 5.366 -2.560 1.00 0.00 O ATOM 974 CG2 THR A 93 2.420 7.244 -3.746 1.00 0.00 C ATOM 0 H THR A 93 1.277 3.192 -3.713 1.00 0.00 H new ATOM 0 HA THR A 93 0.682 5.719 -2.312 1.00 0.00 H new ATOM 0 HB THR A 93 2.725 5.279 -4.525 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.257 5.698 -2.800 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.422 7.588 -4.004 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.727 7.518 -4.541 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.105 7.711 -2.813 1.00 0.00 H new ATOM 982 N TYR A 94 -0.655 6.627 -4.239 1.00 0.00 N ATOM 983 CA TYR A 94 -1.608 7.032 -5.265 1.00 0.00 C ATOM 984 C TYR A 94 -1.137 8.297 -5.977 1.00 0.00 C ATOM 985 O TYR A 94 -0.598 9.210 -5.352 1.00 0.00 O ATOM 986 CB TYR A 94 -2.987 7.266 -4.646 1.00 0.00 C ATOM 987 CG TYR A 94 -3.847 6.024 -4.594 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.350 5.455 -5.758 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.157 5.419 -3.383 1.00 0.00 C ATOM 990 CE1 TYR A 94 -5.136 4.320 -5.716 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.941 4.283 -3.331 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.429 3.737 -4.501 1.00 0.00 C ATOM 993 OH TYR A 94 -6.212 2.607 -4.454 1.00 0.00 O ATOM 0 H TYR A 94 -0.600 7.260 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.677 6.228 -5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.861 7.653 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.507 8.034 -5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.122 5.908 -6.712 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.778 5.844 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.519 3.891 -6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.171 3.825 -2.380 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.303 2.234 -5.356 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.346 8.341 -7.289 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.943 9.493 -8.088 1.00 0.00 C ATOM 1005 C CYS A 95 -1.623 10.764 -7.591 1.00 0.00 C ATOM 1006 O CYS A 95 -0.996 11.819 -7.498 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.283 9.261 -9.561 1.00 0.00 C ATOM 1008 SG CYS A 95 -3.048 9.047 -9.887 1.00 0.00 S ATOM 0 H CYS A 95 -1.791 7.593 -7.821 1.00 0.00 H new ATOM 0 HA CYS A 95 0.135 9.616 -7.986 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.917 10.106 -10.145 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.750 8.377 -9.911 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.368 7.796 -9.739 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.909 10.657 -7.273 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.673 11.797 -6.785 1.00 0.00 C ATOM 1016 C ALA A 96 -4.088 11.599 -5.331 1.00 0.00 C ATOM 1017 O ALA A 96 -4.299 10.471 -4.885 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.898 12.025 -7.659 1.00 0.00 C ATOM 0 H ALA A 96 -3.443 9.791 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.034 12.679 -6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.460 12.880 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.582 12.221 -8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.531 11.138 -7.637 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.203 12.701 -4.598 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.591 12.647 -3.194 1.00 0.00 C ATOM 1026 C ARG A 97 -5.939 11.951 -3.028 1.00 0.00 C ATOM 1027 O ARG A 97 -6.042 10.929 -2.348 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.659 14.058 -2.607 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.126 14.095 -1.161 1.00 0.00 C ATOM 1030 CD ARG A 97 -4.850 15.446 -0.520 1.00 0.00 C ATOM 1031 NE ARG A 97 -5.509 15.582 0.776 1.00 0.00 N ATOM 1032 CZ ARG A 97 -6.781 15.937 0.921 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -7.527 16.189 -0.146 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -7.309 16.039 2.133 1.00 0.00 N ATOM 0 H ARG A 97 -4.033 13.642 -4.953 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.836 12.073 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.673 14.518 -2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.334 14.662 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.194 13.882 -1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.621 13.312 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.775 15.575 -0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.191 16.239 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.962 15.394 1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.124 16.110 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.503 16.461 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.738 15.845 2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.286 16.312 2.242 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.969 12.510 -3.654 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.310 11.943 -3.576 1.00 0.00 C ATOM 1050 C ASP A 98 -8.264 10.422 -3.683 1.00 0.00 C ATOM 1051 O ASP A 98 -8.666 9.712 -2.761 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.194 12.517 -4.684 1.00 0.00 C ATOM 1053 CG ASP A 98 -10.463 11.712 -4.889 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -11.242 11.576 -3.922 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -10.676 11.219 -6.016 1.00 0.00 O ATOM 0 H ASP A 98 -6.901 13.355 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.734 12.209 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.456 13.546 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.630 12.545 -5.617 1.00 0.00 H new ATOM 1060 N SER A 99 -7.772 9.928 -4.815 1.00 0.00 N ATOM 1061 CA SER A 99 -7.678 8.491 -5.044 1.00 0.00 C ATOM 1062 C SER A 99 -7.254 7.764 -3.771 1.00 0.00 C ATOM 1063 O SER A 99 -7.769 6.692 -3.455 1.00 0.00 O ATOM 1064 CB SER A 99 -6.682 8.196 -6.168 1.00 0.00 C ATOM 1065 OG SER A 99 -7.141 8.715 -7.404 1.00 0.00 O ATOM 0 H SER A 99 -7.433 10.501 -5.587 1.00 0.00 H new ATOM 0 HA SER A 99 -8.664 8.130 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.713 8.632 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.534 7.120 -6.254 1.00 0.00 H new ATOM 0 HG SER A 99 -6.487 8.515 -8.106 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.312 8.356 -3.045 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.820 7.768 -1.805 1.00 0.00 C ATOM 1073 C ALA A 100 -6.897 7.781 -0.726 1.00 0.00 C ATOM 1074 O ALA A 100 -7.128 6.776 -0.052 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.580 8.508 -1.325 1.00 0.00 C ATOM 0 H ALA A 100 -5.874 9.243 -3.294 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.555 6.730 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.224 8.058 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.800 8.442 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.827 9.555 -1.149 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.553 8.925 -0.565 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.607 9.069 0.434 1.00 0.00 C ATOM 1083 C LEU A 101 -9.712 8.042 0.212 1.00 0.00 C ATOM 1084 O LEU A 101 -10.157 7.379 1.149 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.191 10.482 0.387 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.183 11.628 0.475 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.806 12.926 -0.015 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.675 11.784 1.901 1.00 0.00 C ATOM 0 H LEU A 101 -7.374 9.766 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.168 8.896 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.754 10.590 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.903 10.587 1.206 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.335 11.390 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.074 13.730 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.120 12.810 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.672 13.169 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.959 12.604 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.513 11.999 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.189 10.861 2.217 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.151 7.913 -1.036 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.202 6.964 -1.383 1.00 0.00 C ATOM 1102 C LYS A 102 -10.789 5.540 -1.027 1.00 0.00 C ATOM 1103 O LYS A 102 -11.351 4.930 -0.117 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.525 7.054 -2.877 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.983 8.434 -3.318 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.117 8.519 -4.829 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.513 8.126 -5.288 1.00 0.00 C ATOM 1108 NZ LYS A 102 -13.616 6.666 -5.559 1.00 0.00 N ATOM 0 H LYS A 102 -9.795 8.454 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.092 7.220 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.640 6.774 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.302 6.329 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.941 8.667 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.271 9.183 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.897 9.535 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.381 7.866 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.239 8.406 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.769 8.682 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.867 6.515 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.703 6.210 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.351 6.251 -4.951 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.804 5.016 -1.748 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.313 3.665 -1.504 1.00 0.00 C ATOM 1124 C ALA A 103 -8.977 3.460 -0.031 1.00 0.00 C ATOM 1125 O ALA A 103 -9.098 2.354 0.494 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.095 3.382 -2.370 1.00 0.00 C ATOM 0 H ALA A 103 -9.330 5.506 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.104 2.964 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.739 2.370 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.366 3.478 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.306 4.096 -2.132 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.555 4.534 0.629 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.200 4.470 2.042 1.00 0.00 C ATOM 1134 C GLN A 104 -9.437 4.246 2.905 1.00 0.00 C ATOM 1135 O GLN A 104 -9.539 3.245 3.614 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.491 5.756 2.470 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.178 5.812 3.957 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.052 7.232 4.473 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -7.606 7.577 5.517 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.321 8.065 3.742 1.00 0.00 N ATOM 0 H GLN A 104 -8.451 5.457 0.209 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.524 3.627 2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.562 5.853 1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.115 6.610 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.964 5.297 4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.249 5.276 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.879 7.737 2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.201 9.033 4.039 1.00 0.00 H new ATOM 1149 N SER A 105 -10.376 5.185 2.839 1.00 0.00 N ATOM 1150 CA SER A 105 -11.605 5.092 3.618 1.00 0.00 C ATOM 1151 C SER A 105 -12.587 4.120 2.970 1.00 0.00 C ATOM 1152 O SER A 105 -13.648 3.833 3.522 1.00 0.00 O ATOM 1153 CB SER A 105 -12.252 6.472 3.755 1.00 0.00 C ATOM 1154 OG SER A 105 -13.165 6.501 4.838 1.00 0.00 O ATOM 0 H SER A 105 -10.309 6.018 2.254 1.00 0.00 H new ATOM 0 HA SER A 105 -11.350 4.717 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.480 7.226 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.771 6.728 2.831 1.00 0.00 H new ATOM 0 HG SER A 105 -13.737 5.706 4.805 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.223 3.618 1.794 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.069 2.677 1.071 1.00 0.00 C ATOM 1162 C ALA A 106 -12.615 1.239 1.304 1.00 0.00 C ATOM 1163 O ALA A 106 -13.367 0.294 1.064 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.066 2.999 -0.416 1.00 0.00 C ATOM 0 H ALA A 106 -11.348 3.847 1.322 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.086 2.775 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.702 2.288 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.445 4.009 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.049 2.931 -0.801 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.382 1.082 1.771 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.827 -0.241 2.035 1.00 0.00 C ATOM 1172 C LEU A 107 -10.598 -0.447 3.529 1.00 0.00 C ATOM 1173 O LEU A 107 -10.929 -1.498 4.080 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.512 -0.425 1.276 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.609 -0.406 -0.250 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.222 -0.384 -0.873 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.400 -1.607 -0.748 1.00 0.00 C ATOM 0 H LEU A 107 -10.747 1.854 1.975 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.545 -0.985 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.824 0.361 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.070 -1.374 1.580 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.134 0.501 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.311 -0.371 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.688 0.507 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.671 -1.272 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.459 -1.578 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.902 -2.525 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.406 -1.579 -0.329 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.032 0.564 4.181 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.762 0.495 5.613 1.00 0.00 C ATOM 1191 C HIS A 108 -10.958 -0.081 6.364 1.00 0.00 C ATOM 1192 O HIS A 108 -11.993 0.572 6.496 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.424 1.883 6.157 1.00 0.00 C ATOM 1194 CG HIS A 108 -8.957 1.872 7.580 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.700 1.450 7.957 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.588 2.235 8.721 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.578 1.553 9.268 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.710 2.027 9.756 1.00 0.00 N ATOM 0 H HIS A 108 -9.752 1.440 3.741 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.908 -0.165 5.765 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.650 2.330 5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.305 2.520 6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.595 2.617 8.802 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.702 1.294 9.843 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.901 2.209 10.741 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.809 -1.308 6.855 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.878 -1.971 7.591 1.00 0.00 C ATOM 1208 C GLU A 109 -13.151 -2.046 6.753 1.00 0.00 C ATOM 1209 O GLU A 109 -14.253 -1.840 7.261 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.160 -1.232 8.901 1.00 0.00 C ATOM 1211 CG GLU A 109 -10.927 -1.038 9.768 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.270 -0.814 11.228 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -11.517 -1.811 11.938 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.290 0.358 11.660 1.00 0.00 O ATOM 0 H GLU A 109 -9.958 -1.862 6.756 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.552 -2.986 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.591 -0.257 8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.908 -1.786 9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.284 -1.914 9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.357 -0.186 9.398 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.989 -2.341 5.467 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.125 -2.442 4.558 1.00 0.00 C ATOM 1223 C GLN A 110 -14.081 -3.751 3.776 1.00 0.00 C ATOM 1224 O GLN A 110 -15.093 -4.438 3.639 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.138 -1.257 3.592 1.00 0.00 C ATOM 1226 CG GLN A 110 -14.931 -0.065 4.102 1.00 0.00 C ATOM 1227 CD GLN A 110 -14.173 0.741 5.139 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -14.387 0.584 6.341 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -13.280 1.609 4.678 1.00 0.00 N ATOM 0 H GLN A 110 -12.083 -2.514 5.031 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.038 -2.426 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.112 -0.945 3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.557 -1.580 2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.188 0.581 3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.868 -0.415 4.534 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.135 1.706 3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.739 2.178 5.329 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.903 -4.089 3.264 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.726 -5.316 2.496 1.00 0.00 C ATOM 1240 C LYS A 111 -12.107 -6.412 3.357 1.00 0.00 C ATOM 1241 O LYS A 111 -11.812 -6.201 4.534 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.845 -5.054 1.273 1.00 0.00 C ATOM 1243 CG LYS A 111 -12.626 -4.637 0.038 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.065 -5.843 -0.776 1.00 0.00 C ATOM 1245 CE LYS A 111 -13.208 -5.497 -2.250 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.580 -5.019 -2.577 1.00 0.00 N ATOM 0 H LYS A 111 -12.056 -3.530 3.367 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.708 -5.652 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.123 -4.275 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.276 -5.956 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.501 -4.060 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -12.010 -3.984 -0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.338 -6.647 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -14.016 -6.215 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.483 -4.727 -2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.976 -6.375 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.637 -4.794 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -15.270 -5.763 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.792 -4.167 -2.020 1.00 0.00 H new ATOM 1260 N THR A 112 -11.909 -7.585 2.762 1.00 0.00 N ATOM 1261 CA THR A 112 -11.325 -8.714 3.474 1.00 0.00 C ATOM 1262 C THR A 112 -10.628 -9.670 2.512 1.00 0.00 C ATOM 1263 O THR A 112 -11.280 -10.375 1.740 1.00 0.00 O ATOM 1264 CB THR A 112 -12.391 -9.491 4.268 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.186 -8.583 5.039 1.00 0.00 O ATOM 1266 CG2 THR A 112 -11.742 -10.513 5.190 1.00 0.00 C ATOM 0 H THR A 112 -12.145 -7.777 1.788 1.00 0.00 H new ATOM 0 HA THR A 112 -10.593 -8.303 4.169 1.00 0.00 H new ATOM 0 HB THR A 112 -13.028 -10.019 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.863 -9.085 5.540 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.515 -11.049 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.161 -11.220 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.084 -10.002 5.893 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.301 -9.689 2.562 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.515 -10.560 1.694 1.00 0.00 C ATOM 1276 C LEU A 113 -8.729 -12.026 2.056 1.00 0.00 C ATOM 1277 O LEU A 113 -9.113 -12.365 3.176 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.029 -10.209 1.797 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.571 -8.987 1.000 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.142 -8.618 1.364 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.693 -9.249 -0.494 1.00 0.00 C ATOM 0 H LEU A 113 -8.746 -9.112 3.194 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.848 -10.406 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.787 -10.045 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.449 -11.071 1.467 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.217 -8.147 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.833 -7.746 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.085 -8.388 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.481 -9.455 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.363 -8.369 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.071 -10.102 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.732 -9.464 -0.742 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.474 -12.918 1.087 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.629 -14.363 1.281 1.00 0.00 C ATOM 1295 C PRO A 114 -7.577 -14.938 2.223 1.00 0.00 C ATOM 1296 O PRO A 114 -6.381 -14.880 1.943 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.452 -14.931 -0.129 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.623 -13.919 -0.843 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.013 -12.585 -0.271 1.00 0.00 C ATOM 0 HA PRO A 114 -9.586 -14.612 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.958 -15.902 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.414 -15.074 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.560 -14.111 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.807 -13.952 -1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.170 -11.894 -0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.800 -12.111 -0.858 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.032 -15.494 3.342 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.117 -16.072 4.308 1.00 0.00 C ATOM 1309 C GLY A 115 -7.028 -15.257 5.583 1.00 0.00 C ATOM 1310 O GLY A 115 -6.521 -15.733 6.598 1.00 0.00 O ATOM 0 H GLY A 115 -9.018 -15.554 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.441 -17.084 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.126 -16.152 3.862 1.00 0.00 H new ATOM 1314 N MET A 116 -7.520 -14.023 5.530 1.00 0.00 N ATOM 1315 CA MET A 116 -7.493 -13.139 6.689 1.00 0.00 C ATOM 1316 C MET A 116 -8.878 -13.023 7.317 1.00 0.00 C ATOM 1317 O MET A 116 -9.849 -12.684 6.641 1.00 0.00 O ATOM 1318 CB MET A 116 -6.984 -11.753 6.289 1.00 0.00 C ATOM 1319 CG MET A 116 -5.492 -11.715 5.997 1.00 0.00 C ATOM 1320 SD MET A 116 -4.490 -12.064 7.454 1.00 0.00 S ATOM 1321 CE MET A 116 -3.242 -10.785 7.320 1.00 0.00 C ATOM 0 H MET A 116 -7.942 -13.613 4.697 1.00 0.00 H new ATOM 0 HA MET A 116 -6.814 -13.568 7.426 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.527 -11.416 5.406 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.207 -11.048 7.089 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.260 -12.442 5.218 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.227 -10.733 5.606 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.467 -10.953 8.067 1.00 0.00 H new ATOM 0 HE2 MET A 116 -2.799 -10.812 6.325 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.701 -9.810 7.486 1.00 0.00 H new ATOM 1331 N ASN A 117 -8.962 -13.308 8.612 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.230 -13.236 9.330 1.00 0.00 C ATOM 1333 C ASN A 117 -10.698 -11.790 9.463 1.00 0.00 C ATOM 1334 O ASN A 117 -11.897 -11.512 9.448 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.091 -13.869 10.716 1.00 0.00 C ATOM 1336 CG ASN A 117 -9.252 -15.132 10.694 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -9.754 -16.219 10.412 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -7.966 -14.992 10.994 1.00 0.00 N ATOM 0 H ASN A 117 -8.168 -13.591 9.186 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.975 -13.789 8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.640 -13.148 11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -11.082 -14.101 11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -7.351 -15.806 10.997 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.593 -14.070 11.222 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.744 -10.875 9.592 1.00 0.00 N ATOM 1346 CA ARG A 118 -10.059 -9.457 9.728 1.00 0.00 C ATOM 1347 C ARG A 118 -9.941 -8.743 8.385 1.00 0.00 C ATOM 1348 O ARG A 118 -9.310 -9.231 7.448 1.00 0.00 O ATOM 1349 CB ARG A 118 -9.127 -8.802 10.750 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.660 -8.841 12.173 1.00 0.00 C ATOM 1351 CD ARG A 118 -9.824 -10.269 12.668 1.00 0.00 C ATOM 1352 NE ARG A 118 -9.702 -10.363 14.120 1.00 0.00 N ATOM 1353 CZ ARG A 118 -8.582 -10.094 14.783 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -7.494 -9.717 14.126 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -8.550 -10.202 16.105 1.00 0.00 N ATOM 0 H ARG A 118 -8.747 -11.089 9.605 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.088 -9.370 10.077 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.159 -9.303 10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.958 -7.764 10.463 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.979 -8.302 12.832 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -10.620 -8.327 12.217 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -10.798 -10.649 12.361 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.072 -10.904 12.199 1.00 0.00 H new ATOM 0 HE ARG A 118 -10.521 -10.651 14.655 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -7.515 -9.633 13.110 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -6.635 -9.511 14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.385 -10.492 16.613 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -7.690 -9.995 16.613 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.564 -7.559 8.288 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.544 -6.752 7.064 1.00 0.00 C ATOM 1371 C PRO A 119 -9.167 -6.161 6.782 1.00 0.00 C ATOM 1372 O PRO A 119 -8.227 -6.358 7.553 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.554 -5.639 7.357 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.575 -5.528 8.842 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.336 -6.917 9.365 1.00 0.00 C ATOM 0 HA PRO A 119 -10.785 -7.344 6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.253 -4.699 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.540 -5.886 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.805 -4.841 9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.532 -5.139 9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.782 -6.903 10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.272 -7.441 9.556 1.00 0.00 H new ATOM 1383 N ILE A 120 -9.055 -5.437 5.674 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.793 -4.816 5.292 1.00 0.00 C ATOM 1385 C ILE A 120 -7.640 -3.441 5.933 1.00 0.00 C ATOM 1386 O ILE A 120 -8.569 -2.635 5.924 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.676 -4.673 3.763 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.568 -3.681 3.405 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -9.004 -4.228 3.170 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.404 -3.469 1.916 1.00 0.00 C ATOM 0 H ILE A 120 -9.823 -5.266 5.025 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.999 -5.471 5.649 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.419 -5.644 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.782 -2.723 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.625 -4.037 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.906 -4.131 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.771 -4.967 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.288 -3.266 3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.601 -2.754 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.159 -4.417 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.334 -3.083 1.499 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.460 -3.181 6.488 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.185 -1.902 7.133 1.00 0.00 C ATOM 1404 C GLN A 121 -5.271 -1.041 6.267 1.00 0.00 C ATOM 1405 O GLN A 121 -4.153 -1.440 5.940 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.547 -2.126 8.504 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.520 -2.642 9.552 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.982 -2.512 10.963 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -5.093 -3.259 11.372 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -6.519 -1.559 11.716 1.00 0.00 N ATOM 0 H GLN A 121 -5.680 -3.838 6.504 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.132 -1.377 7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.726 -2.836 8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.115 -1.188 8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.458 -2.092 9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.746 -3.689 9.348 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -7.254 -0.962 11.336 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -6.196 -1.424 12.674 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.754 0.141 5.898 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.980 1.059 5.071 1.00 0.00 C ATOM 1421 C VAL A 122 -5.050 2.481 5.616 1.00 0.00 C ATOM 1422 O VAL A 122 -6.117 3.093 5.650 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.476 1.054 3.613 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.550 1.878 2.731 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.591 -0.371 3.094 1.00 0.00 C ATOM 0 H VAL A 122 -6.678 0.485 6.159 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.946 0.714 5.096 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.466 1.508 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.916 1.863 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.524 2.906 3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.545 1.456 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.943 -0.355 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.615 -0.854 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.298 -0.927 3.710 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.904 3.002 6.041 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.832 4.354 6.583 1.00 0.00 C ATOM 1437 C LYS A 123 -2.706 5.145 5.925 1.00 0.00 C ATOM 1438 O LYS A 123 -1.730 4.584 5.426 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.620 4.308 8.098 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.496 3.381 8.527 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.699 2.877 9.946 1.00 0.00 C ATOM 1442 CE LYS A 123 -2.016 1.536 10.164 1.00 0.00 C ATOM 1443 NZ LYS A 123 -2.772 0.419 9.533 1.00 0.00 N ATOM 0 H LYS A 123 -3.012 2.508 6.021 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.776 4.855 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.406 5.315 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.546 3.988 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.441 2.534 7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.544 3.907 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.304 3.607 10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.765 2.781 10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.008 1.571 9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.917 1.349 11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -2.362 -0.489 9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -3.768 0.463 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.715 0.502 8.498 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.840 6.479 5.925 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.842 7.375 5.334 1.00 0.00 C ATOM 1459 C PRO A 124 -0.546 7.409 6.136 1.00 0.00 C ATOM 1460 O PRO A 124 -0.432 8.138 7.120 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.528 8.743 5.369 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.511 8.646 6.485 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.977 7.216 6.502 1.00 0.00 C ATOM 0 HA PRO A 124 -1.549 7.055 4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.808 9.542 5.544 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.023 8.962 4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.051 8.918 7.435 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.347 9.327 6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.202 6.879 7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.884 7.082 5.912 1.00 0.00 H new ATOM 1471 N ALA A 125 0.430 6.614 5.708 1.00 0.00 N ATOM 1472 CA ALA A 125 1.719 6.555 6.385 1.00 0.00 C ATOM 1473 C ALA A 125 2.250 7.954 6.679 1.00 0.00 C ATOM 1474 O ALA A 125 2.336 8.796 5.785 1.00 0.00 O ATOM 1475 CB ALA A 125 2.721 5.774 5.546 1.00 0.00 C ATOM 0 H ALA A 125 0.352 6.002 4.896 1.00 0.00 H new ATOM 0 HA ALA A 125 1.578 6.041 7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.679 5.738 6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.354 4.759 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.848 6.265 4.581 1.00 0.00 H new