USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.74 K(o=-1.7,f=-2.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.34) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0371 USER MOD Single : A 39 THR OG1 : rot 34:sc= -3.69 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 52 TYR OH : rot 180:sc=-0.00222 USER MOD Single : A 53 THR OG1 : rot -145:sc= -0.89 USER MOD Single : A 55 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.6) USER MOD Single : A 56 LYS NZ :NH3+ -113:sc= -11.5! (180deg=-19.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 150:sc= -0.0663 (180deg=-0.64) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00808 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.344 F(o=-1.4,f=-0.34) USER MOD Single : A 71 TYR OH : rot -93:sc= 1.01 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 34:sc= 0.299! USER MOD Single : A 85 ASN :FLIP amide:sc= -2.65! C(o=-3.6!,f=-2.7!) USER MOD Single : A 87 TYR OH : rot 30:sc= -2.74! USER MOD Single : A 93 SER OG : rot 144:sc= 1.27 USER MOD Single : A 95 ASN : amide:sc= -0.8 K(o=-0.8,f=-10!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 99:sc= 1.24 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -167:sc= -0.0121 (180deg=-0.478) USER MOD Single : A 106 THR OG1 : rot 115:sc= 1.13 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc=0.000609 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.990 -11.866 -3.744 1.00 0.00 N ATOM 224 CA GLY A 19 -14.954 -10.432 -3.967 1.00 0.00 C ATOM 225 C GLY A 19 -13.524 -9.897 -3.877 1.00 0.00 C ATOM 226 O GLY A 19 -12.566 -10.669 -3.906 1.00 0.00 O ATOM 0 HA2 GLY A 19 -15.370 -10.203 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.581 -9.930 -3.230 1.00 0.00 H new ATOM 230 N PRO A 20 -13.420 -8.546 -3.767 1.00 0.00 N ATOM 231 CA PRO A 20 -12.122 -7.900 -3.673 1.00 0.00 C ATOM 232 C PRO A 20 -11.513 -8.093 -2.283 1.00 0.00 C ATOM 233 O PRO A 20 -12.167 -8.615 -1.382 1.00 0.00 O ATOM 234 CB PRO A 20 -12.383 -6.440 -4.008 1.00 0.00 C ATOM 235 CG PRO A 20 -13.878 -6.232 -3.823 1.00 0.00 C ATOM 236 CD PRO A 20 -14.532 -7.601 -3.729 1.00 0.00 C ATOM 0 HA PRO A 20 -11.390 -8.328 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.813 -5.781 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.080 -6.213 -5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.074 -5.653 -2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.291 -5.668 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.107 -7.703 -2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.222 -7.768 -4.556 1.00 0.00 H new ATOM 241 N PRO A 21 -10.234 -7.651 -2.149 1.00 0.00 N ATOM 242 CA PRO A 21 -9.529 -7.771 -0.884 1.00 0.00 C ATOM 243 C PRO A 21 -10.028 -6.734 0.123 1.00 0.00 C ATOM 244 O PRO A 21 -10.563 -5.695 -0.264 1.00 0.00 O ATOM 245 CB PRO A 21 -8.059 -7.599 -1.235 1.00 0.00 C ATOM 246 CG PRO A 21 -8.032 -6.929 -2.599 1.00 0.00 C ATOM 247 CD PRO A 21 -9.428 -7.028 -3.194 1.00 0.00 C ATOM 0 HA PRO A 21 -9.699 -8.731 -0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.548 -6.989 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.549 -8.562 -1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.730 -5.886 -2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.304 -7.415 -3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.816 -6.044 -3.459 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.429 -7.627 -4.104 1.00 0.00 H new ATOM 252 N GLN A 22 -9.839 -7.051 1.395 1.00 0.00 N ATOM 253 CA GLN A 22 -10.264 -6.159 2.460 1.00 0.00 C ATOM 254 C GLN A 22 -9.829 -4.724 2.157 1.00 0.00 C ATOM 255 O GLN A 22 -10.598 -3.785 2.350 1.00 0.00 O ATOM 256 CB GLN A 22 -9.720 -6.623 3.813 1.00 0.00 C ATOM 257 CG GLN A 22 -10.768 -7.436 4.576 1.00 0.00 C ATOM 258 CD GLN A 22 -10.643 -7.214 6.085 1.00 0.00 C ATOM 259 OE1 GLN A 22 -10.571 -8.143 6.871 1.00 0.00 O ATOM 260 NE2 GLN A 22 -10.620 -5.933 6.443 1.00 0.00 N ATOM 0 H GLN A 22 -9.397 -7.914 1.712 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.352 -6.183 2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.826 -7.227 3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.424 -5.758 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.766 -7.151 4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.647 -8.495 4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.684 -5.204 5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.538 -5.680 7.428 1.00 0.00 H new ATOM 267 N ILE A 23 -8.597 -4.601 1.686 1.00 0.00 N ATOM 268 CA ILE A 23 -8.050 -3.295 1.354 1.00 0.00 C ATOM 269 C ILE A 23 -6.702 -3.476 0.654 1.00 0.00 C ATOM 270 O ILE A 23 -6.104 -4.550 0.717 1.00 0.00 O ATOM 271 CB ILE A 23 -7.983 -2.410 2.599 1.00 0.00 C ATOM 272 CG1 ILE A 23 -8.140 -0.933 2.231 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.698 -2.671 3.389 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.782 -0.231 2.192 1.00 0.00 C ATOM 0 H ILE A 23 -7.962 -5.383 1.526 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.705 -2.773 0.656 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.819 -2.670 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.626 -0.846 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.787 -0.440 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.675 -2.029 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.668 -3.715 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.834 -2.455 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.922 0.817 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.309 -0.299 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.146 -0.711 1.448 1.00 0.00 H new ATOM 285 N VAL A 24 -6.260 -2.408 0.004 1.00 0.00 N ATOM 286 CA VAL A 24 -4.993 -2.436 -0.706 1.00 0.00 C ATOM 287 C VAL A 24 -4.268 -1.105 -0.495 1.00 0.00 C ATOM 288 O VAL A 24 -4.781 -0.050 -0.863 1.00 0.00 O ATOM 289 CB VAL A 24 -5.228 -2.761 -2.182 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.926 -2.659 -2.980 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.863 -4.144 -2.345 1.00 0.00 C ATOM 0 H VAL A 24 -6.757 -1.519 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.350 -3.223 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.924 -2.023 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.121 -2.895 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.531 -1.646 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.197 -3.363 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.019 -4.350 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.202 -4.900 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.821 -4.168 -1.825 1.00 0.00 H new ATOM 301 N LYS A 25 -3.085 -1.200 0.095 1.00 0.00 N ATOM 302 CA LYS A 25 -2.283 -0.017 0.359 1.00 0.00 C ATOM 303 C LYS A 25 -0.873 -0.230 -0.192 1.00 0.00 C ATOM 304 O LYS A 25 -0.522 -1.335 -0.605 1.00 0.00 O ATOM 305 CB LYS A 25 -2.317 0.331 1.848 1.00 0.00 C ATOM 306 CG LYS A 25 -3.518 1.219 2.178 1.00 0.00 C ATOM 307 CD LYS A 25 -3.165 2.240 3.261 1.00 0.00 C ATOM 308 CE LYS A 25 -3.894 1.927 4.568 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.965 2.024 5.716 1.00 0.00 N ATOM 0 H LYS A 25 -2.663 -2.078 0.398 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.699 0.849 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.365 -0.584 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.395 0.842 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.849 1.738 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.350 0.601 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.088 2.237 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.432 3.241 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.723 2.621 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.321 0.925 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.476 1.808 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.188 1.344 5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.577 2.988 5.768 1.00 0.00 H new ATOM 319 N ILE A 26 -0.099 0.846 -0.181 1.00 0.00 N ATOM 320 CA ILE A 26 1.267 0.791 -0.675 1.00 0.00 C ATOM 321 C ILE A 26 2.232 1.082 0.477 1.00 0.00 C ATOM 322 O ILE A 26 2.397 2.232 0.879 1.00 0.00 O ATOM 323 CB ILE A 26 1.442 1.725 -1.873 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.513 1.324 -3.021 1.00 0.00 C ATOM 325 CG2 ILE A 26 2.905 1.784 -2.314 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.273 2.530 -3.539 1.00 0.00 C ATOM 0 H ILE A 26 -0.392 1.761 0.162 1.00 0.00 H new ATOM 0 HA ILE A 26 1.499 -0.208 -1.043 1.00 0.00 H new ATOM 0 HB ILE A 26 1.158 2.731 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.098 0.891 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.179 0.554 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.001 2.455 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.518 2.153 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.240 0.786 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.925 2.216 -4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.876 2.946 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.421 3.289 -3.901 1.00 0.00 H new ATOM 337 N GLU A 27 2.846 0.017 0.974 1.00 0.00 N ATOM 338 CA GLU A 27 3.791 0.142 2.070 1.00 0.00 C ATOM 339 C GLU A 27 4.640 1.404 1.898 1.00 0.00 C ATOM 340 O GLU A 27 4.818 2.171 2.843 1.00 0.00 O ATOM 341 CB GLU A 27 4.673 -1.102 2.179 1.00 0.00 C ATOM 342 CG GLU A 27 4.614 -1.695 3.589 1.00 0.00 C ATOM 343 CD GLU A 27 5.968 -2.281 3.994 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.280 -3.385 3.498 1.00 0.00 O ATOM 345 OE2 GLU A 27 6.660 -1.611 4.791 1.00 0.00 O ATOM 0 H GLU A 27 2.707 -0.936 0.637 1.00 0.00 H new ATOM 0 HA GLU A 27 3.229 0.230 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.348 -1.847 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.703 -0.845 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.320 -0.923 4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.851 -2.472 3.629 1.00 0.00 H new ATOM 350 N ASP A 28 5.141 1.579 0.685 1.00 0.00 N ATOM 351 CA ASP A 28 5.967 2.734 0.376 1.00 0.00 C ATOM 352 C ASP A 28 6.569 2.566 -1.021 1.00 0.00 C ATOM 353 O ASP A 28 6.341 1.555 -1.682 1.00 0.00 O ATOM 354 CB ASP A 28 7.119 2.869 1.373 1.00 0.00 C ATOM 355 CG ASP A 28 7.372 4.291 1.881 1.00 0.00 C ATOM 356 OD1 ASP A 28 7.443 5.196 1.020 1.00 0.00 O ATOM 357 OD2 ASP A 28 7.487 4.441 3.116 1.00 0.00 O ATOM 0 H ASP A 28 4.991 0.940 -0.096 1.00 0.00 H new ATOM 0 HA ASP A 28 5.338 3.622 0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.917 2.224 2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.031 2.499 0.904 1.00 0.00 H new ATOM 361 N VAL A 29 7.325 3.575 -1.429 1.00 0.00 N ATOM 362 CA VAL A 29 7.962 3.551 -2.736 1.00 0.00 C ATOM 363 C VAL A 29 9.291 4.305 -2.663 1.00 0.00 C ATOM 364 O VAL A 29 9.325 5.480 -2.305 1.00 0.00 O ATOM 365 CB VAL A 29 7.010 4.119 -3.791 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.412 5.449 -3.331 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.716 4.272 -5.140 1.00 0.00 C ATOM 0 H VAL A 29 7.511 4.413 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 29 8.185 2.527 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 29 6.191 3.411 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.739 5.831 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.857 5.298 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.213 6.168 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.018 4.677 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.563 4.949 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.071 3.298 -5.477 1.00 0.00 H new ATOM 377 N TRP A 30 10.356 3.596 -3.011 1.00 0.00 N ATOM 378 CA TRP A 30 11.685 4.182 -2.991 1.00 0.00 C ATOM 379 C TRP A 30 12.349 3.898 -4.340 1.00 0.00 C ATOM 380 O TRP A 30 12.010 2.923 -5.009 1.00 0.00 O ATOM 381 CB TRP A 30 12.497 3.659 -1.804 1.00 0.00 C ATOM 382 CG TRP A 30 12.670 2.140 -1.790 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.778 1.434 -2.053 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.655 1.161 -1.485 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.552 0.077 -1.941 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.220 -0.094 -1.583 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.303 1.330 -1.135 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.507 -1.276 -1.350 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.605 0.139 -0.905 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.159 -1.132 -1.001 1.00 0.00 C ATOM 0 H TRP A 30 10.325 2.621 -3.308 1.00 0.00 H new ATOM 0 HA TRP A 30 11.627 5.262 -2.852 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.482 4.126 -1.816 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.009 3.967 -0.879 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.729 1.872 -2.319 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.236 -0.664 -2.093 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.840 2.302 -1.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.972 -2.247 -1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.562 0.213 -0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.552 -2.004 -0.807 1.00 0.00 H new ATOM 400 N GLY A 31 13.281 4.768 -4.700 1.00 0.00 N ATOM 401 CA GLY A 31 13.994 4.622 -5.957 1.00 0.00 C ATOM 402 C GLY A 31 13.075 4.072 -7.050 1.00 0.00 C ATOM 403 O GLY A 31 12.060 4.686 -7.377 1.00 0.00 O ATOM 0 H GLY A 31 13.559 5.576 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.394 5.588 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.844 3.953 -5.821 1.00 0.00 H new ATOM 407 N GLU A 32 13.462 2.923 -7.582 1.00 0.00 N ATOM 408 CA GLU A 32 12.685 2.284 -8.631 1.00 0.00 C ATOM 409 C GLU A 32 12.037 1.002 -8.105 1.00 0.00 C ATOM 410 O GLU A 32 12.060 -0.029 -8.774 1.00 0.00 O ATOM 411 CB GLU A 32 13.552 1.996 -9.858 1.00 0.00 C ATOM 412 CG GLU A 32 14.279 3.259 -10.325 1.00 0.00 C ATOM 413 CD GLU A 32 15.015 3.012 -11.644 1.00 0.00 C ATOM 414 OE1 GLU A 32 16.037 2.296 -11.598 1.00 0.00 O ATOM 415 OE2 GLU A 32 14.538 3.547 -12.668 1.00 0.00 O ATOM 0 H GLU A 32 14.304 2.417 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 32 11.894 2.968 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.280 1.220 -9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.929 1.611 -10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.562 4.070 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.989 3.577 -9.562 1.00 0.00 H new ATOM 420 N ASN A 33 11.473 1.110 -6.910 1.00 0.00 N ATOM 421 CA ASN A 33 10.819 -0.028 -6.286 1.00 0.00 C ATOM 422 C ASN A 33 9.585 0.455 -5.521 1.00 0.00 C ATOM 423 O ASN A 33 9.634 1.479 -4.841 1.00 0.00 O ATOM 424 CB ASN A 33 11.751 -0.721 -5.291 1.00 0.00 C ATOM 425 CG ASN A 33 13.097 -1.055 -5.940 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.330 -2.154 -6.414 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.964 -0.047 -5.934 1.00 0.00 N ATOM 0 H ASN A 33 11.456 1.968 -6.358 1.00 0.00 H new ATOM 0 HA ASN A 33 10.543 -0.731 -7.072 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.910 -0.076 -4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.283 -1.635 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.890 -0.168 -6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.703 0.848 -5.520 1.00 0.00 H new ATOM 433 N VAL A 34 8.509 -0.304 -5.659 1.00 0.00 N ATOM 434 CA VAL A 34 7.265 0.033 -4.989 1.00 0.00 C ATOM 435 C VAL A 34 6.897 -1.085 -4.012 1.00 0.00 C ATOM 436 O VAL A 34 7.182 -2.255 -4.265 1.00 0.00 O ATOM 437 CB VAL A 34 6.171 0.306 -6.024 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.801 -0.132 -5.502 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.157 1.781 -6.429 1.00 0.00 C ATOM 0 H VAL A 34 8.473 -1.152 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 34 7.380 0.948 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 34 6.395 -0.284 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.042 0.073 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.819 -1.200 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.566 0.419 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.371 1.949 -7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.969 2.398 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.121 2.049 -6.861 1.00 0.00 H new ATOM 449 N ALA A 35 6.269 -0.687 -2.915 1.00 0.00 N ATOM 450 CA ALA A 35 5.859 -1.641 -1.899 1.00 0.00 C ATOM 451 C ALA A 35 4.333 -1.640 -1.791 1.00 0.00 C ATOM 452 O ALA A 35 3.733 -0.626 -1.440 1.00 0.00 O ATOM 453 CB ALA A 35 6.538 -1.297 -0.572 1.00 0.00 C ATOM 0 H ALA A 35 6.034 0.284 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 35 6.169 -2.650 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.230 -2.013 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.620 -1.340 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.248 -0.292 -0.265 1.00 0.00 H new ATOM 459 N LEU A 36 3.749 -2.789 -2.097 1.00 0.00 N ATOM 460 CA LEU A 36 2.305 -2.934 -2.040 1.00 0.00 C ATOM 461 C LEU A 36 1.926 -3.732 -0.790 1.00 0.00 C ATOM 462 O LEU A 36 2.710 -4.549 -0.310 1.00 0.00 O ATOM 463 CB LEU A 36 1.773 -3.539 -3.340 1.00 0.00 C ATOM 464 CG LEU A 36 1.551 -2.560 -4.494 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.756 -3.249 -5.845 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.176 -1.896 -4.392 1.00 0.00 C ATOM 0 H LEU A 36 4.251 -3.629 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 36 1.828 -1.958 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.470 -4.308 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.828 -4.037 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 36 2.297 -1.769 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.592 -2.531 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.773 -3.635 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.049 -4.072 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.043 -1.205 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.601 -2.660 -4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.105 -1.350 -3.452 1.00 0.00 H new ATOM 477 N THR A 37 0.724 -3.466 -0.298 1.00 0.00 N ATOM 478 CA THR A 37 0.233 -4.150 0.885 1.00 0.00 C ATOM 479 C THR A 37 -1.291 -4.277 0.835 1.00 0.00 C ATOM 480 O THR A 37 -2.004 -3.282 0.950 1.00 0.00 O ATOM 481 CB THR A 37 0.738 -3.390 2.114 1.00 0.00 C ATOM 482 OG1 THR A 37 0.821 -2.037 1.675 1.00 0.00 O ATOM 483 CG2 THR A 37 2.181 -3.754 2.475 1.00 0.00 C ATOM 0 H THR A 37 0.077 -2.786 -0.698 1.00 0.00 H new ATOM 0 HA THR A 37 0.611 -5.171 0.936 1.00 0.00 H new ATOM 0 HB THR A 37 0.087 -3.599 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.139 -1.473 2.411 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.490 -3.187 3.353 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.244 -4.821 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.837 -3.513 1.638 1.00 0.00 H new ATOM 491 N TRP A 38 -1.745 -5.509 0.661 1.00 0.00 N ATOM 492 CA TRP A 38 -3.171 -5.779 0.594 1.00 0.00 C ATOM 493 C TRP A 38 -3.530 -6.719 1.745 1.00 0.00 C ATOM 494 O TRP A 38 -2.702 -7.518 2.180 1.00 0.00 O ATOM 495 CB TRP A 38 -3.558 -6.339 -0.777 1.00 0.00 C ATOM 496 CG TRP A 38 -2.839 -7.637 -1.145 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.305 -8.891 -1.061 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.497 -7.761 -1.662 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.366 -9.810 -1.484 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.232 -9.101 -1.862 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.539 -6.773 -1.953 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.011 -9.574 -2.359 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.675 -7.263 -2.449 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.957 -8.608 -2.655 1.00 0.00 C ATOM 0 H TRP A 38 -1.150 -6.332 0.564 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.743 -4.858 0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.634 -6.514 -0.796 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.344 -5.589 -1.538 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.292 -9.150 -0.707 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.483 -10.823 -1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.725 -5.719 -1.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 0.173 -10.628 -2.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.446 -6.546 -2.688 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.920 -8.907 -3.042 1.00 0.00 H new ATOM 514 N THR A 39 -4.764 -6.592 2.208 1.00 0.00 N ATOM 515 CA THR A 39 -5.243 -7.420 3.302 1.00 0.00 C ATOM 516 C THR A 39 -6.000 -8.635 2.759 1.00 0.00 C ATOM 517 O THR A 39 -6.446 -8.631 1.613 1.00 0.00 O ATOM 518 CB THR A 39 -6.088 -6.541 4.226 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.064 -5.966 3.362 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.309 -5.338 4.762 1.00 0.00 C ATOM 0 H THR A 39 -5.448 -5.928 1.845 1.00 0.00 H new ATOM 0 HA THR A 39 -4.415 -7.825 3.883 1.00 0.00 H new ATOM 0 HB THR A 39 -6.453 -7.138 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.301 -6.610 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.954 -4.747 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.445 -5.687 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.972 -4.722 3.928 1.00 0.00 H new ATOM 528 N PRO A 40 -6.126 -9.671 3.632 1.00 0.00 N ATOM 529 CA PRO A 40 -6.821 -10.889 3.253 1.00 0.00 C ATOM 530 C PRO A 40 -8.336 -10.672 3.237 1.00 0.00 C ATOM 531 O PRO A 40 -8.830 -9.677 3.763 1.00 0.00 O ATOM 532 CB PRO A 40 -6.379 -11.927 4.271 1.00 0.00 C ATOM 533 CG PRO A 40 -5.822 -11.144 5.450 1.00 0.00 C ATOM 534 CD PRO A 40 -5.611 -9.708 4.998 1.00 0.00 C ATOM 0 HA PRO A 40 -6.579 -11.216 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.216 -12.553 4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.623 -12.590 3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.512 -11.181 6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.882 -11.580 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.144 -9.008 5.641 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.557 -9.433 5.032 1.00 0.00 H new ATOM 539 N PRO A 41 -9.049 -11.647 2.610 1.00 0.00 N ATOM 540 CA PRO A 41 -10.497 -11.574 2.519 1.00 0.00 C ATOM 541 C PRO A 41 -11.148 -11.911 3.862 1.00 0.00 C ATOM 542 O PRO A 41 -10.720 -12.838 4.548 1.00 0.00 O ATOM 543 CB PRO A 41 -10.871 -12.549 1.415 1.00 0.00 C ATOM 544 CG PRO A 41 -9.673 -13.470 1.248 1.00 0.00 C ATOM 545 CD PRO A 41 -8.496 -12.840 1.976 1.00 0.00 C ATOM 0 HA PRO A 41 -10.854 -10.571 2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.764 -13.115 1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.091 -12.022 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.890 -14.457 1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.440 -13.606 0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.076 -13.523 2.715 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.693 -12.585 1.284 1.00 0.00 H new ATOM 550 N LYS A 42 -12.173 -11.141 4.195 1.00 0.00 N ATOM 551 CA LYS A 42 -12.889 -11.347 5.442 1.00 0.00 C ATOM 552 C LYS A 42 -13.925 -12.458 5.255 1.00 0.00 C ATOM 553 O LYS A 42 -14.529 -12.917 6.222 1.00 0.00 O ATOM 554 CB LYS A 42 -13.483 -10.029 5.944 1.00 0.00 C ATOM 555 CG LYS A 42 -13.202 -9.832 7.435 1.00 0.00 C ATOM 556 CD LYS A 42 -14.203 -8.856 8.057 1.00 0.00 C ATOM 557 CE LYS A 42 -14.244 -7.540 7.276 1.00 0.00 C ATOM 558 NZ LYS A 42 -15.452 -6.765 7.633 1.00 0.00 N ATOM 0 H LYS A 42 -12.525 -10.373 3.623 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.205 -11.679 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.062 -9.198 5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.559 -10.021 5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.257 -10.792 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.188 -9.455 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.195 -9.306 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.929 -8.660 9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.351 -6.954 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.239 -7.745 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.465 -5.875 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.301 -7.320 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.440 -6.554 8.651 1.00 0.00 H new ATOM 630 N ILE A 49 -8.520 -19.486 -0.970 1.00 0.00 N ATOM 631 CA ILE A 49 -7.814 -18.435 -1.685 1.00 0.00 C ATOM 632 C ILE A 49 -6.416 -18.931 -2.061 1.00 0.00 C ATOM 633 O ILE A 49 -5.437 -18.603 -1.392 1.00 0.00 O ATOM 634 CB ILE A 49 -7.809 -17.141 -0.869 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.189 -16.865 -0.270 1.00 0.00 C ATOM 636 CG2 ILE A 49 -7.302 -15.966 -1.707 1.00 0.00 C ATOM 637 CD1 ILE A 49 -9.366 -17.599 1.061 1.00 0.00 C ATOM 0 HA ILE A 49 -8.329 -18.195 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.116 -17.265 -0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.316 -15.793 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.963 -17.181 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.309 -15.059 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.286 -16.171 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.950 -15.830 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.355 -17.386 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.263 -18.672 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.606 -17.263 1.766 1.00 0.00 H new ATOM 648 N THR A 50 -6.368 -19.713 -3.129 1.00 0.00 N ATOM 649 CA THR A 50 -5.106 -20.257 -3.601 1.00 0.00 C ATOM 650 C THR A 50 -3.993 -19.216 -3.470 1.00 0.00 C ATOM 651 O THR A 50 -2.903 -19.524 -2.990 1.00 0.00 O ATOM 652 CB THR A 50 -5.311 -20.750 -5.035 1.00 0.00 C ATOM 653 OG1 THR A 50 -5.671 -19.577 -5.758 1.00 0.00 O ATOM 654 CG2 THR A 50 -6.533 -21.662 -5.173 1.00 0.00 C ATOM 0 H THR A 50 -7.182 -19.983 -3.681 1.00 0.00 H new ATOM 0 HA THR A 50 -4.788 -21.104 -2.992 1.00 0.00 H new ATOM 0 HB THR A 50 -4.420 -21.285 -5.365 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.821 -19.806 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.632 -21.983 -6.210 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.409 -22.535 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.429 -21.118 -4.875 1.00 0.00 H new ATOM 662 N GLY A 51 -4.307 -18.004 -3.905 1.00 0.00 N ATOM 663 CA GLY A 51 -3.347 -16.915 -3.841 1.00 0.00 C ATOM 664 C GLY A 51 -4.014 -15.576 -4.164 1.00 0.00 C ATOM 665 O GLY A 51 -5.234 -15.448 -4.071 1.00 0.00 O ATOM 0 H GLY A 51 -5.212 -17.753 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.904 -16.874 -2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.535 -17.100 -4.544 1.00 0.00 H new ATOM 669 N TYR A 52 -3.185 -14.613 -4.538 1.00 0.00 N ATOM 670 CA TYR A 52 -3.679 -13.289 -4.875 1.00 0.00 C ATOM 671 C TYR A 52 -2.999 -12.754 -6.137 1.00 0.00 C ATOM 672 O TYR A 52 -1.775 -12.649 -6.188 1.00 0.00 O ATOM 673 CB TYR A 52 -3.315 -12.389 -3.693 1.00 0.00 C ATOM 674 CG TYR A 52 -3.928 -12.830 -2.363 1.00 0.00 C ATOM 675 CD1 TYR A 52 -5.205 -12.431 -2.026 1.00 0.00 C ATOM 676 CD2 TYR A 52 -3.204 -13.627 -1.499 1.00 0.00 C ATOM 677 CE1 TYR A 52 -5.783 -12.846 -0.773 1.00 0.00 C ATOM 678 CE2 TYR A 52 -3.782 -14.042 -0.248 1.00 0.00 C ATOM 679 CZ TYR A 52 -5.042 -13.631 0.053 1.00 0.00 C ATOM 680 OH TYR A 52 -5.588 -14.023 1.237 1.00 0.00 O ATOM 0 H TYR A 52 -2.174 -14.723 -4.615 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.752 -13.317 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.230 -12.363 -3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.639 -11.371 -3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.772 -11.807 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.204 -13.939 -1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.781 -12.541 -0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.227 -14.666 0.436 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.946 -14.581 1.724 1.00 0.00 H new ATOM 689 N THR A 53 -3.823 -12.432 -7.123 1.00 0.00 N ATOM 690 CA THR A 53 -3.315 -11.911 -8.381 1.00 0.00 C ATOM 691 C THR A 53 -3.030 -10.412 -8.262 1.00 0.00 C ATOM 692 O THR A 53 -3.605 -9.732 -7.412 1.00 0.00 O ATOM 693 CB THR A 53 -4.328 -12.250 -9.476 1.00 0.00 C ATOM 694 OG1 THR A 53 -4.224 -13.664 -9.621 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.917 -11.704 -10.845 1.00 0.00 C ATOM 0 H THR A 53 -4.838 -12.522 -7.077 1.00 0.00 H new ATOM 0 HA THR A 53 -2.363 -12.372 -8.644 1.00 0.00 H new ATOM 0 HB THR A 53 -5.304 -11.848 -9.203 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.357 -13.907 -10.561 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.671 -11.973 -11.585 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.831 -10.619 -10.793 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.956 -12.131 -11.134 1.00 0.00 H new ATOM 703 N ILE A 54 -2.142 -9.941 -9.125 1.00 0.00 N ATOM 704 CA ILE A 54 -1.774 -8.536 -9.127 1.00 0.00 C ATOM 705 C ILE A 54 -1.758 -8.018 -10.566 1.00 0.00 C ATOM 706 O ILE A 54 -1.601 -8.794 -11.507 1.00 0.00 O ATOM 707 CB ILE A 54 -0.451 -8.328 -8.385 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.633 -8.512 -6.877 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.161 -6.968 -8.727 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.359 -9.539 -6.327 1.00 0.00 C ATOM 0 H ILE A 54 -1.667 -10.508 -9.828 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.515 -7.948 -8.585 1.00 0.00 H new ATOM 0 HB ILE A 54 0.252 -9.091 -8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.492 -7.557 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.652 -8.837 -6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.100 -6.845 -8.187 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.349 -6.913 -9.799 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.530 -6.175 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.209 -9.651 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.199 -10.499 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.377 -9.200 -6.517 1.00 0.00 H new ATOM 721 N GLN A 55 -1.925 -6.710 -10.692 1.00 0.00 N ATOM 722 CA GLN A 55 -1.933 -6.079 -12.002 1.00 0.00 C ATOM 723 C GLN A 55 -1.553 -4.602 -11.883 1.00 0.00 C ATOM 724 O GLN A 55 -2.100 -3.883 -11.049 1.00 0.00 O ATOM 725 CB GLN A 55 -3.294 -6.243 -12.681 1.00 0.00 C ATOM 726 CG GLN A 55 -3.573 -7.711 -13.006 1.00 0.00 C ATOM 727 CD GLN A 55 -4.825 -7.854 -13.873 1.00 0.00 C ATOM 728 OE1 GLN A 55 -5.454 -6.883 -14.264 1.00 0.00 O ATOM 729 NE2 GLN A 55 -5.151 -9.112 -14.152 1.00 0.00 N ATOM 0 H GLN A 55 -2.056 -6.069 -9.909 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.190 -6.575 -12.627 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.078 -5.856 -12.030 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.320 -5.653 -13.597 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.716 -8.141 -13.525 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.701 -8.274 -12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.581 -9.878 -13.793 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.971 -9.311 -14.725 1.00 0.00 H new ATOM 736 N LYS A 56 -0.618 -4.194 -12.729 1.00 0.00 N ATOM 737 CA LYS A 56 -0.159 -2.816 -12.728 1.00 0.00 C ATOM 738 C LYS A 56 -0.473 -2.178 -14.082 1.00 0.00 C ATOM 739 O LYS A 56 -0.622 -2.877 -15.083 1.00 0.00 O ATOM 740 CB LYS A 56 1.320 -2.744 -12.343 1.00 0.00 C ATOM 741 CG LYS A 56 1.485 -2.602 -10.828 1.00 0.00 C ATOM 742 CD LYS A 56 2.477 -3.632 -10.286 1.00 0.00 C ATOM 743 CE LYS A 56 1.748 -4.784 -9.592 1.00 0.00 C ATOM 744 NZ LYS A 56 2.051 -4.792 -8.144 1.00 0.00 N ATOM 0 H LYS A 56 -0.166 -4.794 -13.419 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.690 -2.238 -11.972 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.833 -3.643 -12.686 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.789 -1.898 -12.845 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.832 -1.597 -10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.519 -2.730 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.085 -4.021 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.158 -3.152 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.673 -4.686 -9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.048 -5.733 -10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.606 -5.640 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.598 -3.942 -7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.163 -4.800 -7.603 1.00 0.00 H new ATOM 754 N ALA A 57 -0.565 -0.855 -14.071 1.00 0.00 N ATOM 755 CA ALA A 57 -0.859 -0.116 -15.287 1.00 0.00 C ATOM 756 C ALA A 57 -0.305 1.305 -15.160 1.00 0.00 C ATOM 757 O ALA A 57 -0.318 1.886 -14.076 1.00 0.00 O ATOM 758 CB ALA A 57 -2.367 -0.132 -15.542 1.00 0.00 C ATOM 0 H ALA A 57 -0.441 -0.277 -13.240 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.378 -0.583 -16.146 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.588 0.422 -16.454 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.706 -1.162 -15.652 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.883 0.332 -14.702 1.00 0.00 H new ATOM 764 N ASP A 58 0.171 1.823 -16.283 1.00 0.00 N ATOM 765 CA ASP A 58 0.727 3.164 -16.311 1.00 0.00 C ATOM 766 C ASP A 58 -0.402 4.177 -16.509 1.00 0.00 C ATOM 767 O ASP A 58 -1.513 3.808 -16.887 1.00 0.00 O ATOM 768 CB ASP A 58 1.716 3.326 -17.468 1.00 0.00 C ATOM 769 CG ASP A 58 2.134 2.021 -18.148 1.00 0.00 C ATOM 770 OD1 ASP A 58 1.407 1.606 -19.075 1.00 0.00 O ATOM 771 OD2 ASP A 58 3.172 1.468 -17.725 1.00 0.00 O ATOM 0 H ASP A 58 0.183 1.338 -17.180 1.00 0.00 H new ATOM 0 HA ASP A 58 1.245 3.334 -15.367 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.272 3.982 -18.217 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.610 3.826 -17.095 1.00 0.00 H new ATOM 775 N LYS A 59 -0.078 5.435 -16.247 1.00 0.00 N ATOM 776 CA LYS A 59 -1.052 6.504 -16.392 1.00 0.00 C ATOM 777 C LYS A 59 -0.945 7.097 -17.798 1.00 0.00 C ATOM 778 O LYS A 59 -1.282 8.261 -18.012 1.00 0.00 O ATOM 779 CB LYS A 59 -0.884 7.536 -15.275 1.00 0.00 C ATOM 780 CG LYS A 59 -1.791 7.210 -14.087 1.00 0.00 C ATOM 781 CD LYS A 59 -2.742 8.371 -13.786 1.00 0.00 C ATOM 782 CE LYS A 59 -3.872 8.432 -14.816 1.00 0.00 C ATOM 783 NZ LYS A 59 -4.951 9.331 -14.346 1.00 0.00 N ATOM 0 H LYS A 59 0.845 5.738 -15.935 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.065 6.115 -16.286 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.156 7.558 -14.948 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.119 8.530 -15.655 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.367 6.310 -14.301 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.182 6.997 -13.208 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.161 8.253 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.189 9.310 -13.791 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.484 8.787 -15.771 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.271 7.432 -14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.711 9.362 -15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.332 8.975 -13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.569 10.288 -14.206 1.00 0.00 H new ATOM 793 N LYS A 60 -0.475 6.271 -18.721 1.00 0.00 N ATOM 794 CA LYS A 60 -0.319 6.699 -20.100 1.00 0.00 C ATOM 795 C LYS A 60 -1.192 5.825 -21.002 1.00 0.00 C ATOM 796 O LYS A 60 -1.825 6.323 -21.932 1.00 0.00 O ATOM 797 CB LYS A 60 1.158 6.708 -20.496 1.00 0.00 C ATOM 798 CG LYS A 60 1.960 7.655 -19.601 1.00 0.00 C ATOM 799 CD LYS A 60 2.973 6.882 -18.753 1.00 0.00 C ATOM 800 CE LYS A 60 4.404 7.163 -19.218 1.00 0.00 C ATOM 801 NZ LYS A 60 4.692 6.436 -20.474 1.00 0.00 N ATOM 0 H LYS A 60 -0.197 5.306 -18.540 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.663 7.726 -20.220 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.564 5.699 -20.421 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.257 7.015 -21.537 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.480 8.389 -20.216 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.282 8.208 -18.950 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.865 7.163 -17.705 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.768 5.813 -18.819 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.539 8.234 -19.371 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.110 6.860 -18.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.667 6.637 -20.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.582 5.414 -20.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.030 6.745 -21.214 1.00 0.00 H new ATOM 811 N SER A 61 -1.199 4.535 -20.696 1.00 0.00 N ATOM 812 CA SER A 61 -1.984 3.587 -21.468 1.00 0.00 C ATOM 813 C SER A 61 -3.048 2.941 -20.577 1.00 0.00 C ATOM 814 O SER A 61 -4.062 2.452 -21.070 1.00 0.00 O ATOM 815 CB SER A 61 -1.091 2.513 -22.092 1.00 0.00 C ATOM 816 OG SER A 61 -0.175 3.064 -23.035 1.00 0.00 O ATOM 0 H SER A 61 -0.673 4.125 -19.924 1.00 0.00 H new ATOM 0 HA SER A 61 -2.476 4.128 -22.277 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.537 2.000 -21.306 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.713 1.765 -22.584 1.00 0.00 H new ATOM 0 HG SER A 61 0.379 2.348 -23.410 1.00 0.00 H new ATOM 821 N MET A 62 -2.777 2.958 -19.279 1.00 0.00 N ATOM 822 CA MET A 62 -3.698 2.380 -18.315 1.00 0.00 C ATOM 823 C MET A 62 -3.897 0.885 -18.576 1.00 0.00 C ATOM 824 O MET A 62 -4.923 0.319 -18.203 1.00 0.00 O ATOM 825 CB MET A 62 -5.046 3.098 -18.403 1.00 0.00 C ATOM 826 CG MET A 62 -4.945 4.525 -17.861 1.00 0.00 C ATOM 827 SD MET A 62 -6.232 4.815 -16.659 1.00 0.00 S ATOM 828 CE MET A 62 -5.721 3.681 -15.379 1.00 0.00 C ATOM 0 H MET A 62 -1.933 3.363 -18.873 1.00 0.00 H new ATOM 0 HA MET A 62 -3.276 2.503 -17.318 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.382 3.122 -19.440 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.795 2.543 -17.838 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.968 4.681 -17.404 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.032 5.240 -18.679 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.029 4.066 -14.407 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.185 2.709 -15.548 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.636 3.574 -15.400 1.00 0.00 H new ATOM 836 N GLU A 63 -2.900 0.291 -19.212 1.00 0.00 N ATOM 837 CA GLU A 63 -2.952 -1.127 -19.527 1.00 0.00 C ATOM 838 C GLU A 63 -2.595 -1.958 -18.293 1.00 0.00 C ATOM 839 O GLU A 63 -1.673 -1.615 -17.555 1.00 0.00 O ATOM 840 CB GLU A 63 -2.029 -1.463 -20.700 1.00 0.00 C ATOM 841 CG GLU A 63 -2.557 -0.860 -22.003 1.00 0.00 C ATOM 842 CD GLU A 63 -1.532 -1.008 -23.131 1.00 0.00 C ATOM 843 OE1 GLU A 63 -0.952 -2.111 -23.228 1.00 0.00 O ATOM 844 OE2 GLU A 63 -1.354 -0.016 -23.869 1.00 0.00 O ATOM 0 H GLU A 63 -2.050 0.765 -19.518 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.970 -1.375 -19.826 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.027 -1.084 -20.499 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.945 -2.545 -20.803 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.487 -1.353 -22.285 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.788 0.195 -21.853 1.00 0.00 H new ATOM 849 N TRP A 64 -3.346 -3.034 -18.107 1.00 0.00 N ATOM 850 CA TRP A 64 -3.119 -3.916 -16.974 1.00 0.00 C ATOM 851 C TRP A 64 -2.498 -5.212 -17.501 1.00 0.00 C ATOM 852 O TRP A 64 -3.016 -5.816 -18.439 1.00 0.00 O ATOM 853 CB TRP A 64 -4.414 -4.148 -16.194 1.00 0.00 C ATOM 854 CG TRP A 64 -5.063 -2.865 -15.670 1.00 0.00 C ATOM 855 CD1 TRP A 64 -5.956 -2.081 -16.288 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.832 -2.247 -14.387 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.316 -1.006 -15.501 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.611 -1.110 -14.308 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.993 -2.634 -13.327 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.628 -0.268 -13.189 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -4.020 -1.783 -12.217 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.798 -0.635 -12.122 1.00 0.00 C ATOM 0 H TRP A 64 -4.111 -3.315 -18.721 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.428 -3.463 -16.264 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.125 -4.667 -16.837 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.206 -4.808 -15.352 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.345 -2.267 -17.278 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.978 -0.271 -15.749 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.376 -3.519 -13.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.247 0.616 -13.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.393 -2.036 -11.375 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.763 -0.028 -11.229 1.00 0.00 H new ATOM 872 N PHE A 65 -1.398 -5.600 -16.874 1.00 0.00 N ATOM 873 CA PHE A 65 -0.702 -6.814 -17.267 1.00 0.00 C ATOM 874 C PHE A 65 -0.323 -7.650 -16.044 1.00 0.00 C ATOM 875 O PHE A 65 0.418 -7.188 -15.178 1.00 0.00 O ATOM 876 CB PHE A 65 0.575 -6.381 -17.990 1.00 0.00 C ATOM 877 CG PHE A 65 1.562 -5.615 -17.107 1.00 0.00 C ATOM 878 CD1 PHE A 65 1.410 -4.277 -16.919 1.00 0.00 C ATOM 879 CD2 PHE A 65 2.592 -6.273 -16.510 1.00 0.00 C ATOM 880 CE1 PHE A 65 2.325 -3.566 -16.098 1.00 0.00 C ATOM 881 CE2 PHE A 65 3.508 -5.562 -15.689 1.00 0.00 C ATOM 882 CZ PHE A 65 3.355 -4.224 -15.501 1.00 0.00 C ATOM 0 H PHE A 65 -0.971 -5.096 -16.097 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.345 -7.422 -17.903 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.072 -7.265 -18.389 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.304 -5.756 -18.841 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.593 -3.755 -17.394 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.713 -7.336 -16.660 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.203 -2.503 -15.948 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.326 -6.084 -15.214 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.052 -3.683 -14.877 1.00 0.00 H new ATOM 891 N THR A 66 -0.848 -8.866 -16.012 1.00 0.00 N ATOM 892 CA THR A 66 -0.574 -9.771 -14.909 1.00 0.00 C ATOM 893 C THR A 66 0.884 -9.640 -14.461 1.00 0.00 C ATOM 894 O THR A 66 1.801 -9.902 -15.237 1.00 0.00 O ATOM 895 CB THR A 66 -0.948 -11.186 -15.355 1.00 0.00 C ATOM 896 OG1 THR A 66 -2.333 -11.095 -15.671 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.893 -12.195 -14.205 1.00 0.00 C ATOM 0 H THR A 66 -1.462 -9.246 -16.733 1.00 0.00 H new ATOM 0 HA THR A 66 -1.174 -9.521 -14.034 1.00 0.00 H new ATOM 0 HB THR A 66 -0.276 -11.506 -16.151 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.658 -11.969 -15.971 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.167 -13.183 -14.575 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.117 -12.227 -13.797 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.590 -11.894 -13.423 1.00 0.00 H new ATOM 905 N VAL A 67 1.051 -9.234 -13.210 1.00 0.00 N ATOM 906 CA VAL A 67 2.380 -9.066 -12.650 1.00 0.00 C ATOM 907 C VAL A 67 2.784 -10.343 -11.911 1.00 0.00 C ATOM 908 O VAL A 67 3.950 -10.733 -11.928 1.00 0.00 O ATOM 909 CB VAL A 67 2.418 -7.822 -11.759 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.483 -7.961 -10.668 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.648 -6.558 -12.591 1.00 0.00 C ATOM 0 H VAL A 67 0.287 -9.017 -12.569 1.00 0.00 H new ATOM 0 HA VAL A 67 3.111 -8.905 -13.443 1.00 0.00 H new ATOM 0 HB VAL A 67 1.448 -7.730 -11.271 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.489 -7.064 -10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.257 -8.828 -10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.462 -8.090 -11.130 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.671 -5.689 -11.934 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.598 -6.638 -13.120 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.839 -6.446 -13.313 1.00 0.00 H new ATOM 921 N ILE A 68 1.796 -10.960 -11.279 1.00 0.00 N ATOM 922 CA ILE A 68 2.033 -12.185 -10.535 1.00 0.00 C ATOM 923 C ILE A 68 0.719 -12.957 -10.400 1.00 0.00 C ATOM 924 O ILE A 68 -0.360 -12.375 -10.495 1.00 0.00 O ATOM 925 CB ILE A 68 2.706 -11.877 -9.196 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.738 -12.949 -8.841 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.666 -11.695 -8.089 1.00 0.00 C ATOM 928 CD1 ILE A 68 4.989 -12.322 -8.223 1.00 0.00 C ATOM 0 H ILE A 68 0.830 -10.634 -11.267 1.00 0.00 H new ATOM 0 HA ILE A 68 2.728 -12.829 -11.074 1.00 0.00 H new ATOM 0 HB ILE A 68 3.243 -10.933 -9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.301 -13.662 -8.142 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.011 -13.507 -9.737 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.171 -11.477 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.003 -10.869 -8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.082 -12.610 -7.984 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.707 -13.106 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.437 -11.628 -8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.716 -11.785 -7.314 1.00 0.00 H new ATOM 939 N GLU A 69 0.854 -14.257 -10.180 1.00 0.00 N ATOM 940 CA GLU A 69 -0.309 -15.115 -10.032 1.00 0.00 C ATOM 941 C GLU A 69 -0.032 -16.211 -9.000 1.00 0.00 C ATOM 942 O GLU A 69 1.116 -16.600 -8.796 1.00 0.00 O ATOM 943 CB GLU A 69 -0.720 -15.720 -11.376 1.00 0.00 C ATOM 944 CG GLU A 69 -1.347 -14.659 -12.285 1.00 0.00 C ATOM 945 CD GLU A 69 -2.478 -15.257 -13.125 1.00 0.00 C ATOM 946 OE1 GLU A 69 -3.297 -15.993 -12.533 1.00 0.00 O ATOM 947 OE2 GLU A 69 -2.498 -14.964 -14.340 1.00 0.00 O ATOM 0 H GLU A 69 1.751 -14.736 -10.101 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.141 -14.507 -9.675 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.152 -16.155 -11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.431 -16.530 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.733 -13.839 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.584 -14.240 -12.941 1.00 0.00 H new ATOM 952 N HIS A 70 -1.105 -16.676 -8.376 1.00 0.00 N ATOM 953 CA HIS A 70 -0.992 -17.718 -7.371 1.00 0.00 C ATOM 954 C HIS A 70 0.048 -17.312 -6.324 1.00 0.00 C ATOM 955 O HIS A 70 1.057 -17.993 -6.148 1.00 0.00 O ATOM 956 CB HIS A 70 -0.681 -19.069 -8.020 1.00 0.00 C ATOM 957 CG HIS A 70 -1.675 -19.482 -9.081 1.00 0.00 C ATOM 958 ND1 HIS A 70 -2.459 -18.733 -9.907 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -1.943 -20.807 -9.380 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -3.169 -19.555 -10.671 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -2.850 -20.841 -10.345 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.056 -16.350 -8.548 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.947 -17.837 -6.859 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.313 -19.027 -8.464 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.652 -19.835 -7.245 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.490 -21.666 -8.907 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.881 -19.255 -11.426 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.241 -21.682 -10.770 1.00 0.00 H new ATOM 968 N TYR A 71 -0.234 -16.203 -5.657 1.00 0.00 N ATOM 969 CA TYR A 71 0.664 -15.697 -4.633 1.00 0.00 C ATOM 970 C TYR A 71 0.127 -16.004 -3.232 1.00 0.00 C ATOM 971 O TYR A 71 -0.988 -15.614 -2.892 1.00 0.00 O ATOM 972 CB TYR A 71 0.712 -14.180 -4.826 1.00 0.00 C ATOM 973 CG TYR A 71 1.985 -13.523 -4.287 1.00 0.00 C ATOM 974 CD1 TYR A 71 2.834 -14.237 -3.465 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.283 -12.219 -4.622 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.031 -13.619 -2.958 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.481 -11.602 -4.115 1.00 0.00 C ATOM 978 CZ TYR A 71 4.296 -12.332 -3.308 1.00 0.00 C ATOM 979 OH TYR A 71 5.428 -11.749 -2.830 1.00 0.00 O ATOM 0 H TYR A 71 -1.072 -15.640 -5.806 1.00 0.00 H new ATOM 0 HA TYR A 71 1.646 -16.161 -4.721 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.622 -13.956 -5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.152 -13.734 -4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.600 -15.258 -3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.618 -11.661 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.704 -14.165 -2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.727 -10.582 -4.370 1.00 0.00 H new ATOM 0 HH TYR A 71 5.224 -11.272 -1.999 1.00 0.00 H new ATOM 988 N HIS A 72 0.948 -16.701 -2.460 1.00 0.00 N ATOM 989 CA HIS A 72 0.570 -17.066 -1.105 1.00 0.00 C ATOM 990 C HIS A 72 0.601 -15.824 -0.212 1.00 0.00 C ATOM 991 O HIS A 72 -0.409 -15.461 0.389 1.00 0.00 O ATOM 992 CB HIS A 72 1.457 -18.196 -0.579 1.00 0.00 C ATOM 993 CG HIS A 72 1.371 -19.469 -1.386 1.00 0.00 C ATOM 994 ND1 HIS A 72 0.252 -20.283 -1.387 1.00 0.00 N ATOM 995 CD2 HIS A 72 2.276 -20.060 -2.218 1.00 0.00 C ATOM 996 CE1 HIS A 72 0.484 -21.314 -2.186 1.00 0.00 C ATOM 997 NE2 HIS A 72 1.740 -21.175 -2.700 1.00 0.00 N ATOM 0 H HIS A 72 1.873 -17.022 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.450 -17.450 -1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.492 -17.855 -0.566 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.179 -18.412 0.453 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.262 -19.684 -2.446 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.201 -22.123 -2.394 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.192 -21.821 -3.347 1.00 0.00 H new ATOM 1004 N ARG A 73 1.771 -15.205 -0.153 1.00 0.00 N ATOM 1005 CA ARG A 73 1.947 -14.012 0.657 1.00 0.00 C ATOM 1006 C ARG A 73 0.893 -12.963 0.293 1.00 0.00 C ATOM 1007 O ARG A 73 -0.038 -13.249 -0.459 1.00 0.00 O ATOM 1008 CB ARG A 73 3.341 -13.413 0.460 1.00 0.00 C ATOM 1009 CG ARG A 73 4.269 -13.794 1.614 1.00 0.00 C ATOM 1010 CD ARG A 73 4.597 -15.288 1.585 1.00 0.00 C ATOM 1011 NE ARG A 73 6.033 -15.487 1.287 1.00 0.00 N ATOM 1012 CZ ARG A 73 7.012 -15.355 2.191 1.00 0.00 C ATOM 1013 NH1 ARG A 73 6.717 -15.023 3.456 1.00 0.00 N ATOM 1014 NH2 ARG A 73 8.288 -15.554 1.832 1.00 0.00 N ATOM 0 H ARG A 73 2.607 -15.508 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 73 1.832 -14.301 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.762 -13.765 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.268 -12.328 0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.190 -13.215 1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.797 -13.540 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.351 -15.741 2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.988 -15.787 0.831 1.00 0.00 H new ATOM 0 HE ARG A 73 6.293 -15.740 0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.746 -14.871 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.463 -14.923 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.514 -15.806 0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.033 -15.453 2.521 1.00 0.00 H new ATOM 1025 N THR A 74 1.075 -11.773 0.843 1.00 0.00 N ATOM 1026 CA THR A 74 0.151 -10.680 0.586 1.00 0.00 C ATOM 1027 C THR A 74 0.919 -9.382 0.326 1.00 0.00 C ATOM 1028 O THR A 74 0.401 -8.293 0.563 1.00 0.00 O ATOM 1029 CB THR A 74 -0.814 -10.589 1.770 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.039 -10.453 2.903 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.560 -11.901 2.020 1.00 0.00 C ATOM 0 H THR A 74 1.848 -11.540 1.466 1.00 0.00 H new ATOM 0 HA THR A 74 -0.434 -10.860 -0.316 1.00 0.00 H new ATOM 0 HB THR A 74 -1.534 -9.791 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.505 -10.386 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.231 -11.782 2.871 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.139 -12.165 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.842 -12.693 2.233 1.00 0.00 H new ATOM 1039 N SER A 75 2.142 -9.544 -0.157 1.00 0.00 N ATOM 1040 CA SER A 75 2.986 -8.398 -0.451 1.00 0.00 C ATOM 1041 C SER A 75 3.968 -8.746 -1.572 1.00 0.00 C ATOM 1042 O SER A 75 4.297 -9.914 -1.774 1.00 0.00 O ATOM 1043 CB SER A 75 3.745 -7.937 0.794 1.00 0.00 C ATOM 1044 OG SER A 75 4.127 -9.033 1.622 1.00 0.00 O ATOM 0 H SER A 75 2.568 -10.450 -0.352 1.00 0.00 H new ATOM 0 HA SER A 75 2.346 -7.578 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.634 -7.383 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.121 -7.251 1.366 1.00 0.00 H new ATOM 0 HG SER A 75 4.611 -8.698 2.406 1.00 0.00 H new ATOM 1049 N ALA A 76 4.410 -7.711 -2.272 1.00 0.00 N ATOM 1050 CA ALA A 76 5.348 -7.893 -3.366 1.00 0.00 C ATOM 1051 C ALA A 76 6.153 -6.606 -3.561 1.00 0.00 C ATOM 1052 O ALA A 76 5.716 -5.529 -3.159 1.00 0.00 O ATOM 1053 CB ALA A 76 4.586 -8.302 -4.628 1.00 0.00 C ATOM 0 H ALA A 76 4.135 -6.743 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 76 6.054 -8.692 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.289 -8.439 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.055 -9.236 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.870 -7.523 -4.889 1.00 0.00 H new ATOM 1059 N THR A 77 7.315 -6.761 -4.179 1.00 0.00 N ATOM 1060 CA THR A 77 8.184 -5.626 -4.434 1.00 0.00 C ATOM 1061 C THR A 77 8.312 -5.377 -5.938 1.00 0.00 C ATOM 1062 O THR A 77 8.985 -6.131 -6.640 1.00 0.00 O ATOM 1063 CB THR A 77 9.524 -5.893 -3.745 1.00 0.00 C ATOM 1064 OG1 THR A 77 9.183 -6.057 -2.372 1.00 0.00 O ATOM 1065 CG2 THR A 77 10.443 -4.669 -3.756 1.00 0.00 C ATOM 0 H THR A 77 7.674 -7.656 -4.510 1.00 0.00 H new ATOM 0 HA THR A 77 7.766 -4.708 -4.021 1.00 0.00 H new ATOM 0 HB THR A 77 10.024 -6.727 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.995 -6.236 -1.852 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.380 -4.913 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.648 -4.377 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.957 -3.844 -3.235 1.00 0.00 H new ATOM 1073 N ILE A 78 7.657 -4.318 -6.389 1.00 0.00 N ATOM 1074 CA ILE A 78 7.690 -3.961 -7.797 1.00 0.00 C ATOM 1075 C ILE A 78 9.004 -3.241 -8.106 1.00 0.00 C ATOM 1076 O ILE A 78 9.655 -2.716 -7.204 1.00 0.00 O ATOM 1077 CB ILE A 78 6.444 -3.157 -8.175 1.00 0.00 C ATOM 1078 CG1 ILE A 78 5.177 -3.818 -7.627 1.00 0.00 C ATOM 1079 CG2 ILE A 78 6.369 -2.941 -9.688 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.876 -5.123 -8.367 1.00 0.00 C ATOM 0 H ILE A 78 7.100 -3.695 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 78 7.664 -4.857 -8.418 1.00 0.00 H new ATOM 0 HB ILE A 78 6.519 -2.173 -7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.299 -4.019 -6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.333 -3.135 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.474 -2.367 -9.930 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.251 -2.395 -10.022 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.328 -3.907 -10.192 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.971 -5.573 -7.958 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.731 -4.915 -9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.711 -5.812 -8.243 1.00 0.00 H new ATOM 1091 N THR A 79 9.354 -3.239 -9.383 1.00 0.00 N ATOM 1092 CA THR A 79 10.579 -2.592 -9.823 1.00 0.00 C ATOM 1093 C THR A 79 10.373 -1.931 -11.188 1.00 0.00 C ATOM 1094 O THR A 79 9.248 -1.594 -11.555 1.00 0.00 O ATOM 1095 CB THR A 79 11.695 -3.638 -9.817 1.00 0.00 C ATOM 1096 OG1 THR A 79 12.858 -2.908 -10.198 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.529 -4.678 -10.927 1.00 0.00 C ATOM 0 H THR A 79 8.811 -3.675 -10.128 1.00 0.00 H new ATOM 0 HA THR A 79 10.865 -1.786 -9.147 1.00 0.00 H new ATOM 0 HB THR A 79 11.716 -4.139 -8.849 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.805 -1.998 -9.839 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.347 -5.396 -10.878 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.580 -5.199 -10.798 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.541 -4.180 -11.897 1.00 0.00 H new ATOM 1105 N GLU A 80 11.477 -1.766 -11.902 1.00 0.00 N ATOM 1106 CA GLU A 80 11.431 -1.152 -13.218 1.00 0.00 C ATOM 1107 C GLU A 80 10.505 0.066 -13.203 1.00 0.00 C ATOM 1108 O GLU A 80 9.667 0.224 -14.089 1.00 0.00 O ATOM 1109 CB GLU A 80 10.992 -2.162 -14.280 1.00 0.00 C ATOM 1110 CG GLU A 80 12.164 -3.040 -14.720 1.00 0.00 C ATOM 1111 CD GLU A 80 12.109 -3.316 -16.224 1.00 0.00 C ATOM 1112 OE1 GLU A 80 11.013 -3.698 -16.690 1.00 0.00 O ATOM 1113 OE2 GLU A 80 13.162 -3.140 -16.873 1.00 0.00 O ATOM 0 H GLU A 80 12.408 -2.047 -11.594 1.00 0.00 H new ATOM 0 HA GLU A 80 12.436 -0.817 -13.477 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.193 -2.788 -13.883 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.585 -1.634 -15.142 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.105 -2.548 -14.471 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.142 -3.982 -14.173 1.00 0.00 H new ATOM 1118 N LEU A 81 10.688 0.897 -12.188 1.00 0.00 N ATOM 1119 CA LEU A 81 9.881 2.097 -12.046 1.00 0.00 C ATOM 1120 C LEU A 81 10.725 3.320 -12.405 1.00 0.00 C ATOM 1121 O LEU A 81 11.904 3.390 -12.059 1.00 0.00 O ATOM 1122 CB LEU A 81 9.263 2.164 -10.648 1.00 0.00 C ATOM 1123 CG LEU A 81 8.105 1.201 -10.379 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.704 1.225 -8.903 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.920 1.497 -11.300 1.00 0.00 C ATOM 0 H LEU A 81 11.384 0.763 -11.455 1.00 0.00 H new ATOM 0 HA LEU A 81 9.041 2.076 -12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.047 1.971 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.911 3.181 -10.477 1.00 0.00 H new ATOM 0 HG LEU A 81 8.443 0.189 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.879 0.532 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.555 0.928 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.392 2.232 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.111 0.798 -11.088 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.573 2.516 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.231 1.388 -12.339 1.00 0.00 H new ATOM 1136 N VAL A 82 10.090 4.256 -13.096 1.00 0.00 N ATOM 1137 CA VAL A 82 10.768 5.474 -13.506 1.00 0.00 C ATOM 1138 C VAL A 82 10.445 6.592 -12.512 1.00 0.00 C ATOM 1139 O VAL A 82 9.309 6.712 -12.055 1.00 0.00 O ATOM 1140 CB VAL A 82 10.387 5.826 -14.945 1.00 0.00 C ATOM 1141 CG1 VAL A 82 8.878 6.045 -15.076 1.00 0.00 C ATOM 1142 CG2 VAL A 82 11.163 7.050 -15.435 1.00 0.00 C ATOM 0 H VAL A 82 9.113 4.195 -13.382 1.00 0.00 H new ATOM 0 HA VAL A 82 11.849 5.331 -13.495 1.00 0.00 H new ATOM 0 HB VAL A 82 10.659 4.982 -15.578 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.635 6.294 -16.109 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.352 5.135 -14.789 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.571 6.863 -14.424 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.873 7.278 -16.461 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.938 7.904 -14.796 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.232 6.842 -15.398 1.00 0.00 H new ATOM 1152 N ILE A 83 11.465 7.380 -12.206 1.00 0.00 N ATOM 1153 CA ILE A 83 11.303 8.484 -11.274 1.00 0.00 C ATOM 1154 C ILE A 83 10.770 9.705 -12.026 1.00 0.00 C ATOM 1155 O ILE A 83 11.524 10.395 -12.711 1.00 0.00 O ATOM 1156 CB ILE A 83 12.611 8.747 -10.524 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.073 7.495 -9.774 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.476 9.955 -9.595 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.458 7.704 -9.160 1.00 0.00 C ATOM 0 H ILE A 83 12.406 7.277 -12.586 1.00 0.00 H new ATOM 0 HA ILE A 83 10.568 8.233 -10.509 1.00 0.00 H new ATOM 0 HB ILE A 83 13.383 8.988 -11.255 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.356 7.251 -8.990 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.098 6.646 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.419 10.120 -9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.226 10.839 -10.182 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.687 9.767 -8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.763 6.800 -8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.177 7.923 -9.950 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.423 8.538 -8.459 1.00 0.00 H new ATOM 1170 N GLY A 84 9.475 9.936 -11.870 1.00 0.00 N ATOM 1171 CA GLY A 84 8.832 11.062 -12.525 1.00 0.00 C ATOM 1172 C GLY A 84 7.455 10.670 -13.067 1.00 0.00 C ATOM 1173 O GLY A 84 6.658 11.533 -13.431 1.00 0.00 O ATOM 0 H GLY A 84 8.854 9.363 -11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.728 11.886 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.460 11.419 -13.341 1.00 0.00 H new ATOM 1177 N ASN A 85 7.219 9.367 -13.102 1.00 0.00 N ATOM 1178 CA ASN A 85 5.953 8.848 -13.594 1.00 0.00 C ATOM 1179 C ASN A 85 5.219 8.143 -12.451 1.00 0.00 C ATOM 1180 O ASN A 85 5.844 7.687 -11.495 1.00 0.00 O ATOM 1181 CB ASN A 85 6.173 7.831 -14.715 1.00 0.00 C ATOM 1182 CG ASN A 85 6.579 8.527 -16.015 1.00 0.00 C ATOM 1183 OD1 ASN A 85 7.152 7.720 -16.904 1.00 0.00 O flip ATOM 1184 ND2 ASN A 85 6.385 9.717 -16.199 1.00 0.00 N flip ATOM 0 H ASN A 85 7.883 8.655 -12.798 1.00 0.00 H new ATOM 0 HA ASN A 85 5.370 9.685 -13.978 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.947 7.122 -14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.260 7.258 -14.875 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.940 10.279 -15.474 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.668 10.150 -17.078 1.00 0.00 H new ATOM 1190 N GLU A 86 3.903 8.074 -12.590 1.00 0.00 N ATOM 1191 CA GLU A 86 3.077 7.433 -11.582 1.00 0.00 C ATOM 1192 C GLU A 86 2.580 6.076 -12.089 1.00 0.00 C ATOM 1193 O GLU A 86 2.696 5.772 -13.274 1.00 0.00 O ATOM 1194 CB GLU A 86 1.906 8.330 -11.180 1.00 0.00 C ATOM 1195 CG GLU A 86 2.383 9.753 -10.882 1.00 0.00 C ATOM 1196 CD GLU A 86 1.747 10.758 -11.845 1.00 0.00 C ATOM 1197 OE1 GLU A 86 0.602 10.491 -12.268 1.00 0.00 O ATOM 1198 OE2 GLU A 86 2.421 11.769 -12.135 1.00 0.00 O ATOM 0 H GLU A 86 3.389 8.452 -13.386 1.00 0.00 H new ATOM 0 HA GLU A 86 3.686 7.267 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.167 8.350 -11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.412 7.917 -10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.130 10.018 -9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.469 9.801 -10.965 1.00 0.00 H new ATOM 1203 N TYR A 87 2.038 5.298 -11.163 1.00 0.00 N ATOM 1204 CA TYR A 87 1.523 3.982 -11.501 1.00 0.00 C ATOM 1205 C TYR A 87 0.432 3.552 -10.519 1.00 0.00 C ATOM 1206 O TYR A 87 0.394 4.020 -9.382 1.00 0.00 O ATOM 1207 CB TYR A 87 2.709 3.022 -11.381 1.00 0.00 C ATOM 1208 CG TYR A 87 3.815 3.269 -12.407 1.00 0.00 C ATOM 1209 CD1 TYR A 87 3.711 2.737 -13.676 1.00 0.00 C ATOM 1210 CD2 TYR A 87 4.918 4.025 -12.064 1.00 0.00 C ATOM 1211 CE1 TYR A 87 4.753 2.970 -14.642 1.00 0.00 C ATOM 1212 CE2 TYR A 87 5.960 4.257 -13.030 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.827 3.718 -14.271 1.00 0.00 C ATOM 1214 OH TYR A 87 6.811 3.938 -15.183 1.00 0.00 O ATOM 0 H TYR A 87 1.944 5.554 -10.180 1.00 0.00 H new ATOM 0 HA TYR A 87 1.087 3.985 -12.500 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.131 3.106 -10.380 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.348 1.999 -11.490 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.848 2.146 -13.945 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.999 4.442 -11.071 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.683 2.560 -15.639 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.828 4.846 -12.774 1.00 0.00 H new ATOM 0 HH TYR A 87 6.427 3.942 -16.084 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.430 2.664 -10.992 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.520 2.165 -10.170 1.00 0.00 C ATOM 1225 C TYR A 88 -1.304 0.694 -9.808 1.00 0.00 C ATOM 1226 O TYR A 88 -0.389 0.052 -10.322 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.783 2.288 -11.024 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.403 3.687 -11.020 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.954 4.194 -9.860 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.412 4.442 -12.174 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.538 5.510 -9.856 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -3.995 5.757 -12.171 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.530 6.227 -11.012 1.00 0.00 C ATOM 1234 OH TYR A 88 -5.081 7.471 -11.008 1.00 0.00 O ATOM 0 H TYR A 88 -0.396 2.277 -11.935 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.589 2.729 -9.240 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.543 2.011 -12.051 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.523 1.573 -10.665 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.947 3.604 -8.956 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.981 4.045 -13.081 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.973 5.919 -8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.008 6.358 -13.069 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.987 7.868 -10.117 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.162 0.203 -8.927 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.077 -1.181 -8.490 1.00 0.00 C ATOM 1245 C PHE A 89 -3.413 -1.657 -7.914 1.00 0.00 C ATOM 1246 O PHE A 89 -4.170 -0.865 -7.356 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.013 -1.239 -7.392 1.00 0.00 C ATOM 1248 CG PHE A 89 0.285 -0.510 -7.745 1.00 0.00 C ATOM 1249 CD1 PHE A 89 0.410 0.820 -7.487 1.00 0.00 C ATOM 1250 CD2 PHE A 89 1.314 -1.191 -8.317 1.00 0.00 C ATOM 1251 CE1 PHE A 89 1.615 1.497 -7.814 1.00 0.00 C ATOM 1252 CE2 PHE A 89 2.519 -0.514 -8.644 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.644 0.815 -8.386 1.00 0.00 C ATOM 0 H PHE A 89 -2.920 0.738 -8.503 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.826 -1.823 -9.334 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.424 -0.807 -6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.785 -2.283 -7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.407 1.361 -7.033 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.215 -2.247 -8.523 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.714 2.553 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.336 -1.055 -9.098 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.560 1.329 -8.635 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.660 -2.949 -8.071 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.892 -3.540 -7.575 1.00 0.00 C ATOM 1264 C ARG A 90 -4.710 -5.044 -7.365 1.00 0.00 C ATOM 1265 O ARG A 90 -4.197 -5.740 -8.241 1.00 0.00 O ATOM 1266 CB ARG A 90 -6.049 -3.303 -8.548 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.674 -3.748 -9.963 1.00 0.00 C ATOM 1268 CD ARG A 90 -6.902 -4.266 -10.717 1.00 0.00 C ATOM 1269 NE ARG A 90 -6.587 -4.411 -12.155 1.00 0.00 N ATOM 1270 CZ ARG A 90 -7.511 -4.484 -13.123 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -8.814 -4.424 -12.811 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -7.134 -4.615 -14.402 1.00 0.00 N ATOM 0 H ARG A 90 -3.029 -3.603 -8.534 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.130 -3.062 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.930 -3.850 -8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.314 -2.246 -8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.234 -2.912 -10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.916 -4.530 -9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.214 -5.226 -10.306 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.737 -3.577 -10.586 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.605 -4.458 -12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.101 -4.323 -11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.518 -4.479 -13.547 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.143 -4.659 -14.640 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.838 -4.671 -15.138 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.142 -5.504 -6.200 1.00 0.00 N ATOM 1284 CA VAL A 91 -5.035 -6.913 -5.865 1.00 0.00 C ATOM 1285 C VAL A 91 -6.413 -7.568 -5.980 1.00 0.00 C ATOM 1286 O VAL A 91 -7.418 -6.979 -5.584 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.410 -7.075 -4.477 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.386 -8.546 -4.054 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.006 -6.469 -4.434 1.00 0.00 C ATOM 0 H VAL A 91 -5.567 -4.925 -5.476 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.374 -7.422 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.031 -6.532 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.937 -8.633 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.405 -8.933 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.799 -9.121 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.585 -6.598 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.371 -6.971 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.061 -5.406 -4.670 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.415 -8.777 -6.523 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.654 -9.517 -6.695 1.00 0.00 C ATOM 1301 C PHE A 92 -7.793 -10.607 -5.631 1.00 0.00 C ATOM 1302 O PHE A 92 -7.031 -10.640 -4.667 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.595 -10.173 -8.076 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.427 -9.181 -9.229 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -6.213 -8.621 -9.472 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.493 -8.860 -10.010 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -6.057 -7.700 -10.543 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.337 -7.939 -11.081 1.00 0.00 C ATOM 1309 CZ PHE A 92 -7.121 -7.379 -11.324 1.00 0.00 C ATOM 0 H PHE A 92 -5.579 -9.262 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.506 -8.844 -6.601 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.766 -10.881 -8.096 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.508 -10.747 -8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.367 -8.876 -8.851 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.458 -9.305 -9.816 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.092 -7.255 -10.736 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.183 -7.684 -11.702 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.002 -6.679 -12.138 1.00 0.00 H new ATOM 1318 N SER A 93 -8.772 -11.475 -5.843 1.00 0.00 N ATOM 1319 CA SER A 93 -9.021 -12.564 -4.914 1.00 0.00 C ATOM 1320 C SER A 93 -9.054 -13.896 -5.667 1.00 0.00 C ATOM 1321 O SER A 93 -10.117 -14.348 -6.090 1.00 0.00 O ATOM 1322 CB SER A 93 -10.332 -12.352 -4.154 1.00 0.00 C ATOM 1323 OG SER A 93 -10.205 -11.360 -3.138 1.00 0.00 O ATOM 0 H SER A 93 -9.402 -11.446 -6.645 1.00 0.00 H new ATOM 0 HA SER A 93 -8.210 -12.584 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.113 -12.056 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.647 -13.294 -3.704 1.00 0.00 H new ATOM 0 HG SER A 93 -11.036 -10.843 -3.079 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.877 -14.487 -5.811 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.757 -15.758 -6.505 1.00 0.00 C ATOM 1330 C GLU A 94 -8.424 -16.870 -5.694 1.00 0.00 C ATOM 1331 O GLU A 94 -8.354 -16.876 -4.465 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.292 -16.091 -6.791 1.00 0.00 C ATOM 1333 CG GLU A 94 -5.988 -15.989 -8.287 1.00 0.00 C ATOM 1334 CD GLU A 94 -6.659 -17.126 -9.061 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -7.812 -17.451 -8.706 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -6.003 -17.643 -9.991 1.00 0.00 O ATOM 0 H GLU A 94 -6.998 -14.109 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.270 -15.676 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.646 -15.409 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.069 -17.098 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.337 -15.029 -8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.910 -16.022 -8.446 1.00 0.00 H new ATOM 1341 N ASN A 95 -9.056 -17.787 -6.413 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.735 -18.901 -5.775 1.00 0.00 C ATOM 1343 C ASN A 95 -10.037 -19.975 -6.822 1.00 0.00 C ATOM 1344 O ASN A 95 -9.510 -19.931 -7.932 1.00 0.00 O ATOM 1345 CB ASN A 95 -11.063 -18.458 -5.157 1.00 0.00 C ATOM 1346 CG ASN A 95 -12.081 -18.102 -6.242 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -13.025 -18.828 -6.506 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -11.838 -16.946 -6.854 1.00 0.00 N ATOM 0 H ASN A 95 -9.112 -17.780 -7.431 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.084 -19.287 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.460 -19.255 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.898 -17.596 -4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.461 -16.619 -7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.029 -16.386 -6.584 1.00 0.00 H new ATOM 1354 N MET A 96 -10.884 -20.916 -6.431 1.00 0.00 N ATOM 1355 CA MET A 96 -11.262 -22.000 -7.322 1.00 0.00 C ATOM 1356 C MET A 96 -11.884 -21.458 -8.611 1.00 0.00 C ATOM 1357 O MET A 96 -11.544 -21.906 -9.704 1.00 0.00 O ATOM 1358 CB MET A 96 -12.265 -22.916 -6.616 1.00 0.00 C ATOM 1359 CG MET A 96 -11.690 -23.449 -5.302 1.00 0.00 C ATOM 1360 SD MET A 96 -12.705 -24.783 -4.689 1.00 0.00 S ATOM 1361 CE MET A 96 -12.643 -24.440 -2.938 1.00 0.00 C ATOM 0 H MET A 96 -11.319 -20.950 -5.509 1.00 0.00 H new ATOM 0 HA MET A 96 -10.365 -22.562 -7.582 1.00 0.00 H new ATOM 0 HB2 MET A 96 -13.186 -22.368 -6.418 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.524 -23.750 -7.269 1.00 0.00 H new ATOM 0 HG2 MET A 96 -10.670 -23.799 -5.457 1.00 0.00 H new ATOM 0 HG3 MET A 96 -11.643 -22.648 -4.564 1.00 0.00 H new ATOM 0 HE1 MET A 96 -13.230 -25.185 -2.400 1.00 0.00 H new ATOM 0 HE2 MET A 96 -11.609 -24.477 -2.596 1.00 0.00 H new ATOM 0 HE3 MET A 96 -13.053 -23.448 -2.747 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.785 -20.502 -8.439 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.458 -19.896 -9.575 1.00 0.00 C ATOM 1371 C CYS A 97 -12.401 -19.230 -10.459 1.00 0.00 C ATOM 1372 O CYS A 97 -11.981 -19.799 -11.466 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.536 -18.905 -9.130 1.00 0.00 C ATOM 1374 SG CYS A 97 -15.846 -19.782 -8.201 1.00 0.00 S ATOM 0 H CYS A 97 -13.065 -20.132 -7.530 1.00 0.00 H new ATOM 0 HA CYS A 97 -13.977 -20.665 -10.147 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.093 -18.129 -8.506 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.966 -18.408 -9.999 1.00 0.00 H new ATOM 0 HG CYS A 97 -16.755 -18.932 -7.826 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.002 -18.035 -10.051 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.002 -17.286 -10.794 1.00 0.00 C ATOM 1381 C GLY A 98 -10.631 -15.993 -10.064 1.00 0.00 C ATOM 1382 O GLY A 98 -10.237 -16.024 -8.900 1.00 0.00 O ATOM 0 H GLY A 98 -12.353 -17.566 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.111 -17.899 -10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.383 -17.050 -11.788 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.770 -14.887 -10.780 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.456 -13.585 -10.215 1.00 0.00 C ATOM 1388 C LEU A 99 -11.753 -12.874 -9.830 1.00 0.00 C ATOM 1389 O LEU A 99 -12.833 -13.261 -10.272 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.576 -12.783 -11.176 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.121 -13.242 -11.297 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.419 -13.199 -9.938 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -8.035 -14.626 -11.943 1.00 0.00 C ATOM 0 H LEU A 99 -11.096 -14.865 -11.746 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.872 -13.697 -9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.030 -12.817 -12.166 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.582 -11.740 -10.858 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.596 -12.548 -11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.387 -13.530 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.433 -12.179 -9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.936 -13.857 -9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.990 -14.929 -12.017 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.579 -15.347 -11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.474 -14.590 -12.940 1.00 0.00 H new ATOM 1404 N SER A 100 -11.605 -11.844 -9.009 1.00 0.00 N ATOM 1405 CA SER A 100 -12.752 -11.075 -8.557 1.00 0.00 C ATOM 1406 C SER A 100 -13.176 -10.082 -9.643 1.00 0.00 C ATOM 1407 O SER A 100 -12.331 -9.437 -10.262 1.00 0.00 O ATOM 1408 CB SER A 100 -12.443 -10.336 -7.254 1.00 0.00 C ATOM 1409 OG SER A 100 -11.183 -9.672 -7.303 1.00 0.00 O ATOM 0 H SER A 100 -10.707 -11.524 -8.645 1.00 0.00 H new ATOM 0 HA SER A 100 -13.572 -11.766 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.229 -9.608 -7.055 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.448 -11.044 -6.426 1.00 0.00 H new ATOM 0 HG SER A 100 -11.320 -8.725 -7.514 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.483 -9.992 -9.840 1.00 0.00 N ATOM 1415 CA GLU A 101 -15.028 -9.090 -10.840 1.00 0.00 C ATOM 1416 C GLU A 101 -14.358 -7.718 -10.738 1.00 0.00 C ATOM 1417 O GLU A 101 -14.164 -7.043 -11.748 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.547 -8.970 -10.700 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.255 -9.479 -11.957 1.00 0.00 C ATOM 1420 CD GLU A 101 -17.771 -8.314 -12.804 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -16.916 -7.536 -13.279 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -19.009 -8.229 -12.958 1.00 0.00 O ATOM 0 H GLU A 101 -15.180 -10.529 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.818 -9.503 -11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.882 -9.540 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.818 -7.930 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.567 -10.085 -12.546 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -18.087 -10.124 -11.674 1.00 0.00 H new ATOM 1427 N ASP A 102 -14.023 -7.348 -9.512 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.378 -6.069 -9.266 1.00 0.00 C ATOM 1429 C ASP A 102 -12.255 -6.258 -8.244 1.00 0.00 C ATOM 1430 O ASP A 102 -12.269 -7.212 -7.468 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.370 -5.052 -8.696 1.00 0.00 C ATOM 1432 CG ASP A 102 -15.461 -5.645 -7.801 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -16.056 -6.659 -8.227 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -15.675 -5.071 -6.712 1.00 0.00 O ATOM 0 H ASP A 102 -14.186 -7.911 -8.677 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.988 -5.700 -10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.816 -4.308 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.846 -4.527 -9.524 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.308 -5.331 -8.276 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.179 -5.382 -7.362 1.00 0.00 C ATOM 1440 C ALA A 103 -10.050 -4.039 -6.642 1.00 0.00 C ATOM 1441 O ALA A 103 -10.401 -2.998 -7.194 1.00 0.00 O ATOM 1442 CB ALA A 103 -8.913 -5.754 -8.135 1.00 0.00 C ATOM 0 H ALA A 103 -11.300 -4.540 -8.920 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.334 -6.149 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.066 -5.792 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.046 -6.730 -8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.723 -5.006 -8.904 1.00 0.00 H new ATOM 1448 N THR A 104 -9.544 -4.106 -5.419 1.00 0.00 N ATOM 1449 CA THR A 104 -9.364 -2.907 -4.617 1.00 0.00 C ATOM 1450 C THR A 104 -8.109 -2.153 -5.060 1.00 0.00 C ATOM 1451 O THR A 104 -6.993 -2.543 -4.720 1.00 0.00 O ATOM 1452 CB THR A 104 -9.334 -3.323 -3.145 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.707 -3.359 -2.766 1.00 0.00 O ATOM 1454 CG2 THR A 104 -8.727 -2.247 -2.244 1.00 0.00 C ATOM 0 H THR A 104 -9.253 -4.971 -4.964 1.00 0.00 H new ATOM 0 HA THR A 104 -10.191 -2.210 -4.756 1.00 0.00 H new ATOM 0 HB THR A 104 -8.764 -4.246 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.780 -3.622 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.730 -2.594 -1.211 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.702 -2.046 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.315 -1.333 -2.322 1.00 0.00 H new ATOM 1462 N MET A 105 -8.334 -1.087 -5.814 1.00 0.00 N ATOM 1463 CA MET A 105 -7.235 -0.273 -6.307 1.00 0.00 C ATOM 1464 C MET A 105 -6.860 0.813 -5.297 1.00 0.00 C ATOM 1465 O MET A 105 -7.734 1.487 -4.753 1.00 0.00 O ATOM 1466 CB MET A 105 -7.637 0.377 -7.633 1.00 0.00 C ATOM 1467 CG MET A 105 -6.506 1.250 -8.179 1.00 0.00 C ATOM 1468 SD MET A 105 -7.153 2.829 -8.704 1.00 0.00 S ATOM 1469 CE MET A 105 -6.977 2.664 -10.473 1.00 0.00 C ATOM 0 H MET A 105 -9.261 -0.768 -6.096 1.00 0.00 H new ATOM 0 HA MET A 105 -6.368 -0.917 -6.456 1.00 0.00 H new ATOM 0 HB2 MET A 105 -7.888 -0.396 -8.360 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.532 0.982 -7.489 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.746 1.396 -7.412 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.021 0.749 -9.017 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.115 3.637 -10.945 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.982 2.286 -10.706 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.727 1.969 -10.850 1.00 0.00 H new ATOM 1477 N THR A 106 -5.561 0.951 -5.079 1.00 0.00 N ATOM 1478 CA THR A 106 -5.061 1.945 -4.145 1.00 0.00 C ATOM 1479 C THR A 106 -5.773 3.281 -4.356 1.00 0.00 C ATOM 1480 O THR A 106 -5.719 3.853 -5.444 1.00 0.00 O ATOM 1481 CB THR A 106 -3.542 2.031 -4.316 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.365 2.325 -5.699 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.854 0.678 -4.131 1.00 0.00 C ATOM 0 H THR A 106 -4.839 0.391 -5.533 1.00 0.00 H new ATOM 0 HA THR A 106 -5.271 1.661 -3.114 1.00 0.00 H new ATOM 0 HB THR A 106 -3.136 2.745 -3.599 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.962 3.213 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.778 0.796 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.058 0.300 -3.129 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.235 -0.028 -4.869 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.424 3.743 -3.297 1.00 0.00 N ATOM 1492 CA LYS A 107 -7.146 5.002 -3.353 1.00 0.00 C ATOM 1493 C LYS A 107 -6.334 6.015 -4.162 1.00 0.00 C ATOM 1494 O LYS A 107 -6.900 6.893 -4.811 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.499 5.480 -1.944 1.00 0.00 C ATOM 1496 CG LYS A 107 -9.015 5.539 -1.747 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.538 6.962 -1.950 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.993 6.949 -2.424 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.239 8.057 -3.373 1.00 0.00 N ATOM 0 H LYS A 107 -6.466 3.267 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.098 4.873 -3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.059 4.808 -1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.068 6.466 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.503 4.864 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.269 5.194 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.461 7.518 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.918 7.480 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.217 5.996 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.661 7.041 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.231 8.033 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.045 8.965 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.614 7.953 -4.198 1.00 0.00 H new ATOM 1509 N GLU A 108 -5.020 5.861 -4.094 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.124 6.752 -4.811 1.00 0.00 C ATOM 1511 C GLU A 108 -3.050 5.946 -5.545 1.00 0.00 C ATOM 1512 O GLU A 108 -2.980 4.727 -5.406 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.492 7.774 -3.864 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.527 8.798 -3.394 1.00 0.00 C ATOM 1515 CD GLU A 108 -3.983 9.635 -2.235 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -3.620 9.018 -1.210 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -3.942 10.873 -2.399 1.00 0.00 O ATOM 0 H GLU A 108 -4.554 5.132 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.706 7.303 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.065 7.261 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.672 8.285 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.799 9.452 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.436 8.284 -3.081 1.00 0.00 H new ATOM 1522 N SER A 109 -2.237 6.662 -6.309 1.00 0.00 N ATOM 1523 CA SER A 109 -1.169 6.029 -7.064 1.00 0.00 C ATOM 1524 C SER A 109 0.160 6.185 -6.322 1.00 0.00 C ATOM 1525 O SER A 109 0.248 6.934 -5.350 1.00 0.00 O ATOM 1526 CB SER A 109 -1.064 6.621 -8.470 1.00 0.00 C ATOM 1527 OG SER A 109 -1.151 8.044 -8.460 1.00 0.00 O ATOM 0 H SER A 109 -2.297 7.674 -6.421 1.00 0.00 H new ATOM 0 HA SER A 109 -1.401 4.968 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.118 6.319 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.859 6.214 -9.095 1.00 0.00 H new ATOM 0 HG SER A 109 -1.078 8.383 -9.377 1.00 0.00 H new ATOM 1532 N ALA A 110 1.160 5.466 -6.808 1.00 0.00 N ATOM 1533 CA ALA A 110 2.480 5.515 -6.203 1.00 0.00 C ATOM 1534 C ALA A 110 3.379 6.440 -7.024 1.00 0.00 C ATOM 1535 O ALA A 110 3.681 6.152 -8.182 1.00 0.00 O ATOM 1536 CB ALA A 110 3.046 4.097 -6.096 1.00 0.00 C ATOM 0 H ALA A 110 1.083 4.846 -7.614 1.00 0.00 H new ATOM 0 HA ALA A 110 2.424 5.921 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.036 4.134 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.386 3.488 -5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.119 3.658 -7.091 1.00 0.00 H new ATOM 1542 N VAL A 111 3.783 7.535 -6.394 1.00 0.00 N ATOM 1543 CA VAL A 111 4.642 8.504 -7.052 1.00 0.00 C ATOM 1544 C VAL A 111 6.104 8.095 -6.864 1.00 0.00 C ATOM 1545 O VAL A 111 6.637 8.175 -5.758 1.00 0.00 O ATOM 1546 CB VAL A 111 4.342 9.910 -6.527 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.513 10.856 -6.795 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.046 10.456 -7.132 1.00 0.00 C ATOM 0 H VAL A 111 3.531 7.772 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 111 4.446 8.522 -8.124 1.00 0.00 H new ATOM 0 HB VAL A 111 4.206 9.843 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.274 11.848 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.406 10.480 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.695 10.915 -7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.856 11.456 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.142 10.501 -8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.217 9.800 -6.868 1.00 0.00 H new ATOM 1558 N ILE A 112 6.711 7.666 -7.960 1.00 0.00 N ATOM 1559 CA ILE A 112 8.101 7.243 -7.930 1.00 0.00 C ATOM 1560 C ILE A 112 8.982 8.435 -7.549 1.00 0.00 C ATOM 1561 O ILE A 112 8.720 9.564 -7.962 1.00 0.00 O ATOM 1562 CB ILE A 112 8.492 6.589 -9.257 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.460 5.539 -9.674 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.905 6.009 -9.187 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.185 4.558 -8.533 1.00 0.00 C ATOM 0 H ILE A 112 6.266 7.602 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 112 8.250 6.477 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 112 8.499 7.358 -10.029 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.533 6.031 -9.967 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.821 4.995 -10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.158 5.550 -10.143 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.615 6.806 -8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.951 5.256 -8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.448 3.822 -8.855 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.110 4.050 -8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.801 5.102 -7.670 1.00 0.00 H new ATOM 1576 N ALA A 113 10.011 8.143 -6.766 1.00 0.00 N ATOM 1577 CA ALA A 113 10.932 9.176 -6.325 1.00 0.00 C ATOM 1578 C ALA A 113 12.163 8.519 -5.694 1.00 0.00 C ATOM 1579 O ALA A 113 12.187 7.307 -5.490 1.00 0.00 O ATOM 1580 CB ALA A 113 10.215 10.121 -5.359 1.00 0.00 C ATOM 0 H ALA A 113 10.227 7.206 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 113 11.274 9.773 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.906 10.896 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.367 10.583 -5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.861 9.558 -4.495 1.00 0.00 H new