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 62 MET CE :methyl 165:sc= -0.344 (180deg=-1.53) USER MOD Set 1.2: A 105 MET CE :methyl -103:sc= -2.81! (180deg=-6.49!) USER MOD Set 2.1: A 55 GLN : amide:sc= -0.0851 X(o=0.79,f=0.66) USER MOD Set 2.2: A 66 THR OG1 : rot 81:sc= 0.875 USER MOD Single : A 22 GLN : amide:sc= -0.609! C(o=-0.61!,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.15) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 39 THR OG1 : rot 178:sc= -2.44 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -170:sc= -0.0814 USER MOD Single : A 52 TYR OH : rot 180:sc= -2.92! USER MOD Single : A 53 THR OG1 : rot -125:sc= 0.161 USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= -2.75 (180deg=-7.37!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 20:sc= 0.26 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.37 F(o=-4.5,f=-1.4) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.502 K(o=0.5,f=-2.1!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00312 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 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -3.8! C(o=-3.8!,f=-3.5!) USER MOD Single : A 87 TYR OH : rot -89:sc= -3.24! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 157:sc= 1.18 USER MOD Single : A 95 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.99!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 28:sc= 1.12 USER MOD Single : A 100 SER OG : rot -133:sc= 1.04 USER MOD Single : A 104 THR OG1 : rot 165:sc= 0.00397 USER MOD Single : A 106 THR OG1 : rot 75:sc= 1.11 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.234 -12.952 -3.239 1.00 0.00 N ATOM 224 CA GLY A 19 -14.315 -11.593 -2.731 1.00 0.00 C ATOM 225 C GLY A 19 -12.968 -10.878 -2.855 1.00 0.00 C ATOM 226 O GLY A 19 -11.918 -11.517 -2.824 1.00 0.00 O ATOM 0 HA2 GLY A 19 -15.076 -11.040 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.627 -11.610 -1.687 1.00 0.00 H new ATOM 230 N PRO A 20 -13.044 -9.528 -2.996 1.00 0.00 N ATOM 231 CA PRO A 20 -11.844 -8.719 -3.125 1.00 0.00 C ATOM 232 C PRO A 20 -11.135 -8.573 -1.777 1.00 0.00 C ATOM 233 O PRO A 20 -11.649 -9.012 -0.750 1.00 0.00 O ATOM 234 CB PRO A 20 -12.322 -7.392 -3.691 1.00 0.00 C ATOM 235 CG PRO A 20 -13.817 -7.339 -3.424 1.00 0.00 C ATOM 236 CD PRO A 20 -14.271 -8.737 -3.037 1.00 0.00 C ATOM 0 HA PRO A 20 -11.100 -9.171 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.810 -6.557 -3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.113 -7.325 -4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.037 -6.631 -2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.351 -6.996 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.774 -8.736 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.977 -9.139 -3.763 1.00 0.00 H new ATOM 241 N PRO A 21 -9.932 -7.938 -1.826 1.00 0.00 N ATOM 242 CA PRO A 21 -9.147 -7.729 -0.622 1.00 0.00 C ATOM 243 C PRO A 21 -9.742 -6.608 0.232 1.00 0.00 C ATOM 244 O PRO A 21 -10.232 -5.613 -0.297 1.00 0.00 O ATOM 245 CB PRO A 21 -7.743 -7.418 -1.117 1.00 0.00 C ATOM 246 CG PRO A 21 -7.896 -7.007 -2.572 1.00 0.00 C ATOM 247 CD PRO A 21 -9.291 -7.407 -3.025 1.00 0.00 C ATOM 0 HA PRO A 21 -9.140 -8.600 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.290 -6.618 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.094 -8.289 -1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.752 -5.932 -2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.140 -7.494 -3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.839 -6.552 -3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.251 -8.155 -3.817 1.00 0.00 H new ATOM 252 N GLN A 22 -9.680 -6.809 1.541 1.00 0.00 N ATOM 253 CA GLN A 22 -10.207 -5.828 2.474 1.00 0.00 C ATOM 254 C GLN A 22 -9.749 -4.422 2.081 1.00 0.00 C ATOM 255 O GLN A 22 -10.572 -3.557 1.785 1.00 0.00 O ATOM 256 CB GLN A 22 -9.791 -6.157 3.909 1.00 0.00 C ATOM 257 CG GLN A 22 -10.809 -7.087 4.574 1.00 0.00 C ATOM 258 CD GLN A 22 -10.537 -7.214 6.075 1.00 0.00 C ATOM 259 OE1 GLN A 22 -11.186 -6.597 6.903 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.544 -8.045 6.376 1.00 0.00 N ATOM 0 H GLN A 22 -9.273 -7.637 1.977 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.296 -5.861 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.808 -6.629 3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.702 -5.237 4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.816 -6.703 4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.766 -8.072 4.108 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.042 -8.530 5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.284 -8.198 7.351 1.00 0.00 H new ATOM 267 N ILE A 23 -8.437 -4.237 2.089 1.00 0.00 N ATOM 268 CA ILE A 23 -7.860 -2.951 1.736 1.00 0.00 C ATOM 269 C ILE A 23 -6.531 -3.175 1.011 1.00 0.00 C ATOM 270 O ILE A 23 -5.905 -4.222 1.164 1.00 0.00 O ATOM 271 CB ILE A 23 -7.743 -2.059 2.974 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.914 -0.583 2.604 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.428 -2.316 3.713 1.00 0.00 C ATOM 274 CD1 ILE A 23 -7.266 0.323 3.653 1.00 0.00 C ATOM 0 H ILE A 23 -7.757 -4.957 2.334 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.513 -2.416 1.047 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.552 -2.316 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.466 -0.395 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.975 -0.346 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.370 -1.669 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.386 -3.358 4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.590 -2.104 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.402 1.366 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.733 0.149 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.201 0.100 3.718 1.00 0.00 H new ATOM 285 N VAL A 24 -6.140 -2.172 0.237 1.00 0.00 N ATOM 286 CA VAL A 24 -4.897 -2.246 -0.512 1.00 0.00 C ATOM 287 C VAL A 24 -4.160 -0.911 -0.401 1.00 0.00 C ATOM 288 O VAL A 24 -4.628 0.105 -0.914 1.00 0.00 O ATOM 289 CB VAL A 24 -5.181 -2.654 -1.958 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.888 -2.723 -2.773 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.935 -3.985 -2.015 1.00 0.00 C ATOM 0 H VAL A 24 -6.662 -1.305 0.113 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.245 -3.013 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.817 -1.888 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.119 -3.015 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.406 -1.745 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.217 -3.458 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.124 -4.252 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.335 -4.764 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.884 -3.889 -1.487 1.00 0.00 H new ATOM 301 N LYS A 25 -3.019 -0.955 0.272 1.00 0.00 N ATOM 302 CA LYS A 25 -2.213 0.240 0.456 1.00 0.00 C ATOM 303 C LYS A 25 -0.783 -0.038 -0.010 1.00 0.00 C ATOM 304 O LYS A 25 -0.447 -1.171 -0.352 1.00 0.00 O ATOM 305 CB LYS A 25 -2.304 0.730 1.902 1.00 0.00 C ATOM 306 CG LYS A 25 -1.975 -0.396 2.885 1.00 0.00 C ATOM 307 CD LYS A 25 -1.273 0.150 4.129 1.00 0.00 C ATOM 308 CE LYS A 25 -2.105 -0.112 5.387 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.189 1.111 6.215 1.00 0.00 N ATOM 0 H LYS A 25 -2.634 -1.799 0.696 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.596 1.056 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.615 1.561 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.307 1.108 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.892 -0.909 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.338 -1.134 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.293 -0.317 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.105 1.221 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.107 -0.438 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.657 -0.920 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.757 0.917 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.232 1.405 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.637 1.872 5.666 1.00 0.00 H new ATOM 319 N ILE A 26 0.022 1.014 -0.009 1.00 0.00 N ATOM 320 CA ILE A 26 1.409 0.897 -0.428 1.00 0.00 C ATOM 321 C ILE A 26 2.322 1.141 0.775 1.00 0.00 C ATOM 322 O ILE A 26 2.399 2.258 1.285 1.00 0.00 O ATOM 323 CB ILE A 26 1.691 1.823 -1.612 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.810 1.464 -2.811 1.00 0.00 C ATOM 325 CG2 ILE A 26 3.178 1.816 -1.971 1.00 0.00 C ATOM 326 CD1 ILE A 26 0.022 2.682 -3.296 1.00 0.00 C ATOM 0 H ILE A 26 -0.260 1.952 0.275 1.00 0.00 H new ATOM 0 HA ILE A 26 1.615 -0.112 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 26 1.435 2.841 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.431 1.082 -3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.120 0.667 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.351 2.482 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.761 2.156 -1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.483 0.804 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.596 2.400 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.616 3.047 -2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.715 3.468 -3.595 1.00 0.00 H new ATOM 337 N GLU A 27 2.992 0.078 1.195 1.00 0.00 N ATOM 338 CA GLU A 27 3.897 0.161 2.328 1.00 0.00 C ATOM 339 C GLU A 27 4.832 1.362 2.172 1.00 0.00 C ATOM 340 O GLU A 27 5.054 2.109 3.123 1.00 0.00 O ATOM 341 CB GLU A 27 4.692 -1.135 2.493 1.00 0.00 C ATOM 342 CG GLU A 27 4.434 -1.765 3.862 1.00 0.00 C ATOM 343 CD GLU A 27 5.487 -1.319 4.879 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.550 -1.974 4.921 1.00 0.00 O ATOM 345 OE2 GLU A 27 5.204 -0.331 5.591 1.00 0.00 O ATOM 0 H GLU A 27 2.926 -0.847 0.770 1.00 0.00 H new ATOM 0 HA GLU A 27 3.304 0.301 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.416 -1.838 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.756 -0.930 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.441 -1.484 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.445 -2.851 3.774 1.00 0.00 H new ATOM 350 N ASP A 28 5.356 1.511 0.964 1.00 0.00 N ATOM 351 CA ASP A 28 6.263 2.608 0.671 1.00 0.00 C ATOM 352 C ASP A 28 6.813 2.444 -0.748 1.00 0.00 C ATOM 353 O ASP A 28 6.528 1.452 -1.417 1.00 0.00 O ATOM 354 CB ASP A 28 7.448 2.616 1.639 1.00 0.00 C ATOM 355 CG ASP A 28 7.841 3.997 2.168 1.00 0.00 C ATOM 356 OD1 ASP A 28 7.558 4.981 1.450 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.413 4.038 3.278 1.00 0.00 O ATOM 0 H ASP A 28 5.170 0.890 0.177 1.00 0.00 H new ATOM 0 HA ASP A 28 5.708 3.541 0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.210 1.973 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.310 2.177 1.138 1.00 0.00 H new ATOM 361 N VAL A 29 7.590 3.433 -1.165 1.00 0.00 N ATOM 362 CA VAL A 29 8.183 3.411 -2.491 1.00 0.00 C ATOM 363 C VAL A 29 9.563 4.070 -2.440 1.00 0.00 C ATOM 364 O VAL A 29 9.691 5.218 -2.017 1.00 0.00 O ATOM 365 CB VAL A 29 7.240 4.076 -3.496 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.731 5.417 -2.965 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.918 4.246 -4.856 1.00 0.00 C ATOM 0 H VAL A 29 7.823 4.255 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 29 8.326 2.384 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 29 6.379 3.421 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.063 5.869 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.191 5.257 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.576 6.082 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.225 4.721 -5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.805 4.869 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.207 3.269 -5.243 1.00 0.00 H new ATOM 377 N TRP A 30 10.560 3.315 -2.877 1.00 0.00 N ATOM 378 CA TRP A 30 11.925 3.812 -2.886 1.00 0.00 C ATOM 379 C TRP A 30 12.476 3.656 -4.305 1.00 0.00 C ATOM 380 O TRP A 30 12.419 2.571 -4.880 1.00 0.00 O ATOM 381 CB TRP A 30 12.776 3.098 -1.834 1.00 0.00 C ATOM 382 CG TRP A 30 12.794 1.575 -1.976 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.793 0.800 -2.419 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.718 0.668 -1.655 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.441 -0.534 -2.407 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.139 -0.617 -1.928 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.431 0.926 -1.150 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.336 -1.745 -1.729 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.640 -0.213 -0.957 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.049 -1.514 -1.227 1.00 0.00 C ATOM 0 H TRP A 30 10.450 2.363 -3.227 1.00 0.00 H new ATOM 0 HA TRP A 30 11.952 4.868 -2.615 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.799 3.470 -1.895 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.402 3.356 -0.843 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.753 1.173 -2.745 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.029 -1.316 -2.697 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.081 1.923 -0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.690 -2.741 -1.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.641 -0.071 -0.571 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.378 -2.342 -1.051 1.00 0.00 H new ATOM 400 N GLY A 31 12.995 4.758 -4.829 1.00 0.00 N ATOM 401 CA GLY A 31 13.554 4.756 -6.170 1.00 0.00 C ATOM 402 C GLY A 31 12.679 3.946 -7.128 1.00 0.00 C ATOM 403 O GLY A 31 11.500 4.251 -7.305 1.00 0.00 O ATOM 0 H GLY A 31 13.040 5.657 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.644 5.780 -6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.560 4.337 -6.148 1.00 0.00 H new ATOM 407 N GLU A 32 13.290 2.932 -7.723 1.00 0.00 N ATOM 408 CA GLU A 32 12.580 2.077 -8.659 1.00 0.00 C ATOM 409 C GLU A 32 12.054 0.830 -7.945 1.00 0.00 C ATOM 410 O GLU A 32 12.108 -0.271 -8.491 1.00 0.00 O ATOM 411 CB GLU A 32 13.476 1.696 -9.840 1.00 0.00 C ATOM 412 CG GLU A 32 14.186 2.926 -10.409 1.00 0.00 C ATOM 413 CD GLU A 32 14.861 2.601 -11.743 1.00 0.00 C ATOM 414 OE1 GLU A 32 14.114 2.292 -12.697 1.00 0.00 O ATOM 415 OE2 GLU A 32 16.109 2.669 -11.779 1.00 0.00 O ATOM 0 H GLU A 32 14.268 2.683 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 32 11.729 2.631 -9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.215 0.962 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.876 1.225 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.467 3.733 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.931 3.282 -9.697 1.00 0.00 H new ATOM 420 N ASN A 33 11.557 1.044 -6.737 1.00 0.00 N ATOM 421 CA ASN A 33 11.022 -0.047 -5.943 1.00 0.00 C ATOM 422 C ASN A 33 9.794 0.441 -5.172 1.00 0.00 C ATOM 423 O ASN A 33 9.850 1.465 -4.492 1.00 0.00 O ATOM 424 CB ASN A 33 12.050 -0.546 -4.926 1.00 0.00 C ATOM 425 CG ASN A 33 13.312 -1.054 -5.626 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.463 -2.231 -5.912 1.00 0.00 O ATOM 427 ND2 ASN A 33 14.207 -0.105 -5.885 1.00 0.00 N ATOM 0 H ASN A 33 11.514 1.959 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 33 10.762 -0.859 -6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.310 0.261 -4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.615 -1.346 -4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.083 -0.343 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 33 14.017 0.861 -5.619 1.00 0.00 H new ATOM 433 N VAL A 34 8.712 -0.313 -5.304 1.00 0.00 N ATOM 434 CA VAL A 34 7.473 0.031 -4.629 1.00 0.00 C ATOM 435 C VAL A 34 7.083 -1.104 -3.679 1.00 0.00 C ATOM 436 O VAL A 34 7.452 -2.256 -3.897 1.00 0.00 O ATOM 437 CB VAL A 34 6.387 0.349 -5.658 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.995 0.044 -5.100 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.484 1.802 -6.127 1.00 0.00 C ATOM 0 H VAL A 34 8.668 -1.161 -5.869 1.00 0.00 H new ATOM 0 HA VAL A 34 7.603 0.930 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 34 6.548 -0.294 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.242 0.279 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.931 -1.013 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.820 0.648 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.700 2.001 -6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.362 2.469 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.459 1.972 -6.584 1.00 0.00 H new ATOM 449 N ALA A 35 6.341 -0.737 -2.644 1.00 0.00 N ATOM 450 CA ALA A 35 5.896 -1.709 -1.660 1.00 0.00 C ATOM 451 C ALA A 35 4.370 -1.671 -1.565 1.00 0.00 C ATOM 452 O ALA A 35 3.790 -0.630 -1.261 1.00 0.00 O ATOM 453 CB ALA A 35 6.572 -1.423 -0.318 1.00 0.00 C ATOM 0 H ALA A 35 6.037 0.220 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 35 6.182 -2.717 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.238 -2.152 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.654 -1.492 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.307 -0.420 0.017 1.00 0.00 H new ATOM 459 N LEU A 36 3.763 -2.818 -1.830 1.00 0.00 N ATOM 460 CA LEU A 36 2.315 -2.929 -1.778 1.00 0.00 C ATOM 461 C LEU A 36 1.910 -3.666 -0.500 1.00 0.00 C ATOM 462 O LEU A 36 2.666 -4.490 0.012 1.00 0.00 O ATOM 463 CB LEU A 36 1.780 -3.576 -3.057 1.00 0.00 C ATOM 464 CG LEU A 36 1.616 -2.647 -4.261 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.578 -3.442 -5.567 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.385 -1.753 -4.098 1.00 0.00 C ATOM 0 H LEU A 36 4.248 -3.679 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 36 1.859 -1.940 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.451 -4.387 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.812 -4.025 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 36 2.486 -1.993 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.461 -2.757 -6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.508 -4.000 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.738 -4.137 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.291 -1.102 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.507 -2.374 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.493 -1.145 -3.199 1.00 0.00 H new ATOM 477 N THR A 37 0.717 -3.344 -0.021 1.00 0.00 N ATOM 478 CA THR A 37 0.203 -3.965 1.187 1.00 0.00 C ATOM 479 C THR A 37 -1.324 -4.050 1.135 1.00 0.00 C ATOM 480 O THR A 37 -2.009 -3.031 1.196 1.00 0.00 O ATOM 481 CB THR A 37 0.726 -3.172 2.386 1.00 0.00 C ATOM 482 OG1 THR A 37 0.763 -1.825 1.922 1.00 0.00 O ATOM 483 CG2 THR A 37 2.186 -3.495 2.710 1.00 0.00 C ATOM 0 H THR A 37 0.092 -2.661 -0.448 1.00 0.00 H new ATOM 0 HA THR A 37 0.552 -4.993 1.282 1.00 0.00 H new ATOM 0 HB THR A 37 0.106 -3.381 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.090 -1.241 2.638 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.507 -2.905 3.569 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.281 -4.556 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.811 -3.254 1.850 1.00 0.00 H new ATOM 491 N TRP A 38 -1.813 -5.277 1.020 1.00 0.00 N ATOM 492 CA TRP A 38 -3.246 -5.509 0.959 1.00 0.00 C ATOM 493 C TRP A 38 -3.619 -6.461 2.096 1.00 0.00 C ATOM 494 O TRP A 38 -2.803 -7.279 2.520 1.00 0.00 O ATOM 495 CB TRP A 38 -3.658 -6.031 -0.419 1.00 0.00 C ATOM 496 CG TRP A 38 -3.037 -7.381 -0.784 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.537 -8.606 -0.562 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.775 -7.597 -1.448 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.692 -9.589 -1.033 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.585 -8.956 -1.588 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.823 -6.673 -1.914 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.454 -9.515 -2.195 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.302 -7.246 -2.518 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.508 -8.613 -2.667 1.00 0.00 C ATOM 0 H TRP A 38 -1.242 -6.120 0.968 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.795 -4.577 1.092 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.744 -6.121 -0.452 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.376 -5.297 -1.174 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.482 -8.798 -0.076 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.850 -10.595 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.950 -5.605 -1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.330 -10.583 -2.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.064 -6.580 -2.895 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.406 -8.978 -3.144 1.00 0.00 H new ATOM 514 N THR A 39 -4.854 -6.326 2.557 1.00 0.00 N ATOM 515 CA THR A 39 -5.347 -7.165 3.636 1.00 0.00 C ATOM 516 C THR A 39 -6.140 -8.346 3.075 1.00 0.00 C ATOM 517 O THR A 39 -6.612 -8.298 1.939 1.00 0.00 O ATOM 518 CB THR A 39 -6.160 -6.283 4.586 1.00 0.00 C ATOM 519 OG1 THR A 39 -6.956 -5.481 3.720 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.289 -5.271 5.336 1.00 0.00 C ATOM 0 H THR A 39 -5.528 -5.648 2.203 1.00 0.00 H new ATOM 0 HA THR A 39 -4.526 -7.606 4.201 1.00 0.00 H new ATOM 0 HB THR A 39 -6.686 -6.912 5.304 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.539 -4.902 4.254 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.915 -4.671 5.996 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.542 -5.801 5.927 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.789 -4.620 4.619 1.00 0.00 H new ATOM 528 N PRO A 40 -6.268 -9.406 3.917 1.00 0.00 N ATOM 529 CA PRO A 40 -6.997 -10.597 3.516 1.00 0.00 C ATOM 530 C PRO A 40 -8.506 -10.351 3.542 1.00 0.00 C ATOM 531 O PRO A 40 -8.973 -9.396 4.162 1.00 0.00 O ATOM 532 CB PRO A 40 -6.555 -11.675 4.492 1.00 0.00 C ATOM 533 CG PRO A 40 -5.955 -10.942 5.681 1.00 0.00 C ATOM 534 CD PRO A 40 -5.724 -9.497 5.269 1.00 0.00 C ATOM 0 HA PRO A 40 -6.784 -10.895 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.399 -12.293 4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.823 -12.340 4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.626 -10.992 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.017 -11.408 5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.228 -8.807 5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.664 -9.245 5.287 1.00 0.00 H new ATOM 539 N PRO A 41 -9.248 -11.252 2.844 1.00 0.00 N ATOM 540 CA PRO A 41 -10.695 -11.142 2.781 1.00 0.00 C ATOM 541 C PRO A 41 -11.337 -11.583 4.099 1.00 0.00 C ATOM 542 O PRO A 41 -10.831 -12.481 4.769 1.00 0.00 O ATOM 543 CB PRO A 41 -11.105 -12.010 1.602 1.00 0.00 C ATOM 544 CG PRO A 41 -9.929 -12.936 1.338 1.00 0.00 C ATOM 545 CD PRO A 41 -8.730 -12.396 2.099 1.00 0.00 C ATOM 0 HA PRO A 41 -11.032 -10.115 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.006 -12.579 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.326 -11.400 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.162 -13.950 1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.713 -12.984 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.314 -13.149 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.932 -12.097 1.420 1.00 0.00 H new ATOM 550 N LYS A 42 -12.441 -10.930 4.431 1.00 0.00 N ATOM 551 CA LYS A 42 -13.156 -11.243 5.655 1.00 0.00 C ATOM 552 C LYS A 42 -14.074 -12.442 5.413 1.00 0.00 C ATOM 553 O LYS A 42 -14.730 -12.923 6.335 1.00 0.00 O ATOM 554 CB LYS A 42 -13.888 -10.006 6.180 1.00 0.00 C ATOM 555 CG LYS A 42 -13.081 -9.317 7.283 1.00 0.00 C ATOM 556 CD LYS A 42 -13.997 -8.528 8.221 1.00 0.00 C ATOM 557 CE LYS A 42 -14.294 -7.139 7.655 1.00 0.00 C ATOM 558 NZ LYS A 42 -15.720 -7.027 7.275 1.00 0.00 N ATOM 0 H LYS A 42 -12.858 -10.185 3.873 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.457 -11.529 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.062 -9.307 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.866 -10.294 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.526 -10.063 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.347 -8.646 6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.930 -9.072 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.527 -8.433 9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.048 -6.378 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.664 -6.952 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.904 -6.077 6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.944 -7.741 6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.316 -7.184 8.113 1.00 0.00 H new ATOM 630 N ILE A 49 -9.688 -19.153 -0.743 1.00 0.00 N ATOM 631 CA ILE A 49 -8.847 -18.227 -1.481 1.00 0.00 C ATOM 632 C ILE A 49 -7.649 -18.982 -2.060 1.00 0.00 C ATOM 633 O ILE A 49 -6.756 -19.396 -1.323 1.00 0.00 O ATOM 634 CB ILE A 49 -8.456 -17.040 -0.599 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.696 -16.284 -0.116 1.00 0.00 C ATOM 636 CG2 ILE A 49 -7.469 -16.120 -1.322 1.00 0.00 C ATOM 637 CD1 ILE A 49 -10.101 -16.735 1.288 1.00 0.00 C ATOM 0 HA ILE A 49 -9.395 -17.804 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.948 -17.425 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.495 -15.213 -0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -10.521 -16.452 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.208 -15.285 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.568 -16.679 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.928 -15.740 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.985 -16.182 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.325 -17.802 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.283 -16.543 1.982 1.00 0.00 H new ATOM 648 N THR A 50 -7.670 -19.139 -3.376 1.00 0.00 N ATOM 649 CA THR A 50 -6.598 -19.838 -4.063 1.00 0.00 C ATOM 650 C THR A 50 -5.315 -19.003 -4.037 1.00 0.00 C ATOM 651 O THR A 50 -4.296 -19.441 -3.504 1.00 0.00 O ATOM 652 CB THR A 50 -7.078 -20.169 -5.478 1.00 0.00 C ATOM 653 OG1 THR A 50 -8.022 -21.219 -5.287 1.00 0.00 O ATOM 654 CG2 THR A 50 -5.982 -20.804 -6.335 1.00 0.00 C ATOM 0 H THR A 50 -8.413 -18.794 -3.984 1.00 0.00 H new ATOM 0 HA THR A 50 -6.351 -20.774 -3.561 1.00 0.00 H new ATOM 0 HB THR A 50 -7.435 -19.260 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.266 -21.602 -6.156 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.376 -21.019 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.141 -20.116 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.647 -21.731 -5.869 1.00 0.00 H new ATOM 662 N GLY A 51 -5.407 -17.818 -4.620 1.00 0.00 N ATOM 663 CA GLY A 51 -4.267 -16.918 -4.671 1.00 0.00 C ATOM 664 C GLY A 51 -4.718 -15.471 -4.875 1.00 0.00 C ATOM 665 O GLY A 51 -5.880 -15.141 -4.642 1.00 0.00 O ATOM 0 H GLY A 51 -6.254 -17.459 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.695 -16.997 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.602 -17.213 -5.483 1.00 0.00 H new ATOM 669 N TYR A 52 -3.777 -14.647 -5.310 1.00 0.00 N ATOM 670 CA TYR A 52 -4.063 -13.243 -5.548 1.00 0.00 C ATOM 671 C TYR A 52 -3.261 -12.713 -6.739 1.00 0.00 C ATOM 672 O TYR A 52 -2.036 -12.619 -6.673 1.00 0.00 O ATOM 673 CB TYR A 52 -3.625 -12.501 -4.284 1.00 0.00 C ATOM 674 CG TYR A 52 -4.314 -12.989 -3.008 1.00 0.00 C ATOM 675 CD1 TYR A 52 -5.622 -12.631 -2.751 1.00 0.00 C ATOM 676 CD2 TYR A 52 -3.628 -13.784 -2.113 1.00 0.00 C ATOM 677 CE1 TYR A 52 -6.272 -13.090 -1.549 1.00 0.00 C ATOM 678 CE2 TYR A 52 -4.276 -14.242 -0.912 1.00 0.00 C ATOM 679 CZ TYR A 52 -5.566 -13.873 -0.689 1.00 0.00 C ATOM 680 OH TYR A 52 -6.179 -14.305 0.446 1.00 0.00 O ATOM 0 H TYR A 52 -2.815 -14.925 -5.504 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.121 -13.101 -5.771 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.547 -12.609 -4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.827 -11.437 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.158 -12.007 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.604 -14.063 -2.314 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.295 -12.819 -1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.750 -14.865 -0.204 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.556 -14.855 0.965 1.00 0.00 H new ATOM 689 N THR A 53 -3.983 -12.384 -7.800 1.00 0.00 N ATOM 690 CA THR A 53 -3.353 -11.867 -9.003 1.00 0.00 C ATOM 691 C THR A 53 -3.033 -10.380 -8.840 1.00 0.00 C ATOM 692 O THR A 53 -3.854 -9.616 -8.336 1.00 0.00 O ATOM 693 CB THR A 53 -4.277 -12.163 -10.185 1.00 0.00 C ATOM 694 OG1 THR A 53 -4.067 -13.547 -10.451 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.828 -11.464 -11.469 1.00 0.00 C ATOM 0 H THR A 53 -4.998 -12.465 -7.852 1.00 0.00 H new ATOM 0 HA THR A 53 -2.396 -12.355 -9.189 1.00 0.00 H new ATOM 0 HB THR A 53 -5.292 -11.852 -9.939 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.812 -13.665 -11.390 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.518 -11.708 -12.276 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.819 -10.385 -11.312 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.826 -11.800 -11.735 1.00 0.00 H new ATOM 703 N ILE A 54 -1.836 -10.014 -9.278 1.00 0.00 N ATOM 704 CA ILE A 54 -1.398 -8.631 -9.187 1.00 0.00 C ATOM 705 C ILE A 54 -1.104 -8.101 -10.592 1.00 0.00 C ATOM 706 O ILE A 54 -0.376 -8.731 -11.357 1.00 0.00 O ATOM 707 CB ILE A 54 -0.217 -8.506 -8.223 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.634 -8.860 -6.794 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.416 -7.116 -8.308 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.229 -9.992 -6.234 1.00 0.00 C ATOM 0 H ILE A 54 -1.157 -10.650 -9.696 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.188 -8.007 -8.769 1.00 0.00 H new ATOM 0 HB ILE A 54 0.545 -9.225 -8.523 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.544 -7.980 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.683 -9.157 -6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.253 -7.054 -7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.774 -6.940 -9.323 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.327 -6.361 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.089 -10.223 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.118 -10.878 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.274 -9.683 -6.226 1.00 0.00 H new ATOM 721 N GLN A 55 -1.685 -6.948 -10.888 1.00 0.00 N ATOM 722 CA GLN A 55 -1.495 -6.326 -12.187 1.00 0.00 C ATOM 723 C GLN A 55 -1.272 -4.820 -12.027 1.00 0.00 C ATOM 724 O GLN A 55 -1.829 -4.200 -11.123 1.00 0.00 O ATOM 725 CB GLN A 55 -2.682 -6.610 -13.110 1.00 0.00 C ATOM 726 CG GLN A 55 -3.169 -8.051 -12.949 1.00 0.00 C ATOM 727 CD GLN A 55 -4.221 -8.395 -14.005 1.00 0.00 C ATOM 728 OE1 GLN A 55 -4.979 -7.555 -14.461 1.00 0.00 O ATOM 729 NE2 GLN A 55 -4.225 -9.675 -14.368 1.00 0.00 N ATOM 0 H GLN A 55 -2.288 -6.428 -10.250 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.607 -6.758 -12.649 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.495 -5.920 -12.885 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.392 -6.434 -14.146 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.325 -8.736 -13.035 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.590 -8.187 -11.953 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.563 -10.327 -13.947 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.890 -10.005 -15.068 1.00 0.00 H new ATOM 736 N LYS A 56 -0.459 -4.277 -12.920 1.00 0.00 N ATOM 737 CA LYS A 56 -0.156 -2.856 -12.889 1.00 0.00 C ATOM 738 C LYS A 56 -0.608 -2.214 -14.203 1.00 0.00 C ATOM 739 O LYS A 56 -0.686 -2.884 -15.232 1.00 0.00 O ATOM 740 CB LYS A 56 1.324 -2.630 -12.573 1.00 0.00 C ATOM 741 CG LYS A 56 1.591 -2.773 -11.072 1.00 0.00 C ATOM 742 CD LYS A 56 2.706 -3.788 -10.810 1.00 0.00 C ATOM 743 CE LYS A 56 2.189 -4.969 -9.986 1.00 0.00 C ATOM 744 NZ LYS A 56 1.627 -4.498 -8.700 1.00 0.00 N ATOM 0 H LYS A 56 -0.000 -4.795 -13.670 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.708 -2.367 -12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.931 -3.348 -13.124 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.623 -1.636 -12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.869 -1.805 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.679 -3.089 -10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.105 -4.148 -11.758 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.527 -3.303 -10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.425 -5.506 -10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.000 -5.672 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.883 -5.165 -7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.011 -3.558 -8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.591 -4.440 -8.774 1.00 0.00 H new ATOM 754 N ALA A 57 -0.896 -0.923 -14.125 1.00 0.00 N ATOM 755 CA ALA A 57 -1.339 -0.183 -15.295 1.00 0.00 C ATOM 756 C ALA A 57 -0.865 1.268 -15.184 1.00 0.00 C ATOM 757 O ALA A 57 -1.213 1.968 -14.235 1.00 0.00 O ATOM 758 CB ALA A 57 -2.860 -0.291 -15.421 1.00 0.00 C ATOM 0 H ALA A 57 -0.831 -0.370 -13.270 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.906 -0.603 -16.203 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.193 0.264 -16.298 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.143 -1.338 -15.525 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.329 0.125 -14.529 1.00 0.00 H new ATOM 764 N ASP A 58 -0.078 1.675 -16.170 1.00 0.00 N ATOM 765 CA ASP A 58 0.448 3.030 -16.195 1.00 0.00 C ATOM 766 C ASP A 58 -0.702 4.013 -16.425 1.00 0.00 C ATOM 767 O ASP A 58 -1.845 3.603 -16.620 1.00 0.00 O ATOM 768 CB ASP A 58 1.457 3.207 -17.331 1.00 0.00 C ATOM 769 CG ASP A 58 2.918 3.309 -16.888 1.00 0.00 C ATOM 770 OD1 ASP A 58 3.227 4.287 -16.172 1.00 0.00 O ATOM 771 OD2 ASP A 58 3.693 2.409 -17.276 1.00 0.00 O ATOM 0 H ASP A 58 0.208 1.091 -16.956 1.00 0.00 H new ATOM 0 HA ASP A 58 0.942 3.219 -15.242 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.359 2.366 -18.018 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.199 4.107 -17.889 1.00 0.00 H new ATOM 775 N LYS A 59 -0.357 5.293 -16.396 1.00 0.00 N ATOM 776 CA LYS A 59 -1.346 6.338 -16.599 1.00 0.00 C ATOM 777 C LYS A 59 -1.430 6.672 -18.090 1.00 0.00 C ATOM 778 O LYS A 59 -1.948 7.722 -18.466 1.00 0.00 O ATOM 779 CB LYS A 59 -1.036 7.547 -15.715 1.00 0.00 C ATOM 780 CG LYS A 59 -2.109 7.729 -14.639 1.00 0.00 C ATOM 781 CD LYS A 59 -3.410 8.260 -15.245 1.00 0.00 C ATOM 782 CE LYS A 59 -3.413 9.789 -15.283 1.00 0.00 C ATOM 783 NZ LYS A 59 -4.022 10.275 -16.541 1.00 0.00 N ATOM 0 H LYS A 59 0.593 5.629 -16.235 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.334 5.993 -16.293 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.062 7.417 -15.244 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.976 8.445 -16.329 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.297 6.777 -14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.750 8.420 -13.876 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.532 7.867 -16.254 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.259 7.906 -14.660 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.967 10.179 -14.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.393 10.163 -15.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.016 11.315 -16.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.476 9.918 -17.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.002 9.934 -16.607 1.00 0.00 H new ATOM 793 N LYS A 60 -0.912 5.758 -18.898 1.00 0.00 N ATOM 794 CA LYS A 60 -0.922 5.942 -20.339 1.00 0.00 C ATOM 795 C LYS A 60 -2.338 5.706 -20.870 1.00 0.00 C ATOM 796 O LYS A 60 -2.887 6.546 -21.582 1.00 0.00 O ATOM 797 CB LYS A 60 0.136 5.058 -21.000 1.00 0.00 C ATOM 798 CG LYS A 60 1.543 5.461 -20.554 1.00 0.00 C ATOM 799 CD LYS A 60 1.788 6.953 -20.790 1.00 0.00 C ATOM 800 CE LYS A 60 1.386 7.356 -22.211 1.00 0.00 C ATOM 801 NZ LYS A 60 2.071 8.606 -22.608 1.00 0.00 N ATOM 0 H LYS A 60 -0.483 4.888 -18.582 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.652 6.967 -20.593 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.046 4.014 -20.744 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.057 5.139 -22.084 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.673 5.231 -19.497 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.283 4.877 -21.101 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.219 7.538 -20.067 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.841 7.183 -20.627 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.641 6.557 -22.908 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.306 7.493 -22.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.787 8.865 -23.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.807 9.370 -21.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.101 8.463 -22.576 1.00 0.00 H new ATOM 811 N SER A 61 -2.890 4.560 -20.501 1.00 0.00 N ATOM 812 CA SER A 61 -4.232 4.202 -20.930 1.00 0.00 C ATOM 813 C SER A 61 -4.893 3.302 -19.885 1.00 0.00 C ATOM 814 O SER A 61 -5.822 2.559 -20.198 1.00 0.00 O ATOM 815 CB SER A 61 -4.206 3.504 -22.291 1.00 0.00 C ATOM 816 OG SER A 61 -4.110 4.434 -23.367 1.00 0.00 O ATOM 0 H SER A 61 -2.432 3.866 -19.909 1.00 0.00 H new ATOM 0 HA SER A 61 -4.815 5.118 -21.032 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.361 2.817 -22.330 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.109 2.906 -22.409 1.00 0.00 H new ATOM 0 HG SER A 61 -3.763 5.287 -23.032 1.00 0.00 H new ATOM 821 N MET A 62 -4.390 3.399 -18.664 1.00 0.00 N ATOM 822 CA MET A 62 -4.921 2.603 -17.570 1.00 0.00 C ATOM 823 C MET A 62 -5.057 1.135 -17.977 1.00 0.00 C ATOM 824 O MET A 62 -5.991 0.454 -17.555 1.00 0.00 O ATOM 825 CB MET A 62 -6.289 3.148 -17.159 1.00 0.00 C ATOM 826 CG MET A 62 -6.144 4.429 -16.333 1.00 0.00 C ATOM 827 SD MET A 62 -6.712 4.147 -14.664 1.00 0.00 S ATOM 828 CE MET A 62 -5.645 2.794 -14.199 1.00 0.00 C ATOM 0 H MET A 62 -3.620 4.017 -18.407 1.00 0.00 H new ATOM 0 HA MET A 62 -4.229 2.665 -16.730 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.886 3.350 -18.048 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.825 2.396 -16.580 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.102 4.749 -16.322 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.719 5.234 -16.791 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.672 2.665 -13.117 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.986 1.879 -14.683 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.624 3.011 -14.513 1.00 0.00 H new ATOM 836 N GLU A 63 -4.111 0.688 -18.791 1.00 0.00 N ATOM 837 CA GLU A 63 -4.114 -0.687 -19.258 1.00 0.00 C ATOM 838 C GLU A 63 -3.399 -1.592 -18.253 1.00 0.00 C ATOM 839 O GLU A 63 -2.305 -1.269 -17.791 1.00 0.00 O ATOM 840 CB GLU A 63 -3.477 -0.796 -20.645 1.00 0.00 C ATOM 841 CG GLU A 63 -4.224 0.069 -21.662 1.00 0.00 C ATOM 842 CD GLU A 63 -4.756 -0.781 -22.817 1.00 0.00 C ATOM 843 OE1 GLU A 63 -3.910 -1.342 -23.547 1.00 0.00 O ATOM 844 OE2 GLU A 63 -5.998 -0.851 -22.945 1.00 0.00 O ATOM 0 H GLU A 63 -3.337 1.255 -19.139 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.149 -1.019 -19.342 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.433 -0.485 -20.595 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.485 -1.836 -20.972 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.052 0.581 -21.171 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.557 0.839 -22.049 1.00 0.00 H new ATOM 849 N TRP A 64 -4.046 -2.706 -17.944 1.00 0.00 N ATOM 850 CA TRP A 64 -3.486 -3.659 -17.001 1.00 0.00 C ATOM 851 C TRP A 64 -3.022 -4.887 -17.790 1.00 0.00 C ATOM 852 O TRP A 64 -3.548 -5.174 -18.864 1.00 0.00 O ATOM 853 CB TRP A 64 -4.492 -4.000 -15.901 1.00 0.00 C ATOM 854 CG TRP A 64 -5.166 -2.778 -15.275 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.144 -2.020 -15.790 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.871 -2.199 -13.986 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.500 -1.000 -14.932 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.701 -1.113 -13.800 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.935 -2.582 -13.010 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.677 -0.318 -12.647 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.922 -1.778 -11.864 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.752 -0.681 -11.661 1.00 0.00 C ATOM 0 H TRP A 64 -4.953 -2.970 -18.330 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.627 -3.231 -16.485 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.260 -4.654 -16.315 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.983 -4.562 -15.118 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.597 -2.187 -16.756 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.217 -0.294 -15.098 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.278 -3.430 -13.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.336 0.529 -12.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.218 -2.027 -11.083 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.683 -0.111 -10.746 1.00 0.00 H new ATOM 872 N PHE A 65 -2.044 -5.578 -17.225 1.00 0.00 N ATOM 873 CA PHE A 65 -1.505 -6.769 -17.861 1.00 0.00 C ATOM 874 C PHE A 65 -1.392 -7.921 -16.862 1.00 0.00 C ATOM 875 O PHE A 65 -2.281 -8.768 -16.782 1.00 0.00 O ATOM 876 CB PHE A 65 -0.106 -6.411 -18.368 1.00 0.00 C ATOM 877 CG PHE A 65 -0.094 -5.763 -19.755 1.00 0.00 C ATOM 878 CD1 PHE A 65 -0.185 -4.411 -19.874 1.00 0.00 C ATOM 879 CD2 PHE A 65 0.008 -6.538 -20.866 1.00 0.00 C ATOM 880 CE1 PHE A 65 -0.173 -3.810 -21.161 1.00 0.00 C ATOM 881 CE2 PHE A 65 0.019 -5.938 -22.153 1.00 0.00 C ATOM 882 CZ PHE A 65 -0.072 -4.586 -22.273 1.00 0.00 C ATOM 0 H PHE A 65 -1.610 -5.337 -16.334 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.162 -7.088 -18.670 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.364 -5.732 -17.657 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.502 -7.315 -18.395 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.266 -3.795 -18.991 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.081 -7.611 -20.770 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.244 -2.737 -21.256 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.100 -6.555 -23.036 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.064 -4.129 -23.252 1.00 0.00 H new ATOM 891 N THR A 66 -0.291 -7.917 -16.124 1.00 0.00 N ATOM 892 CA THR A 66 -0.050 -8.953 -15.133 1.00 0.00 C ATOM 893 C THR A 66 1.375 -8.849 -14.589 1.00 0.00 C ATOM 894 O THR A 66 2.316 -8.609 -15.345 1.00 0.00 O ATOM 895 CB THR A 66 -0.358 -10.305 -15.778 1.00 0.00 C ATOM 896 OG1 THR A 66 -1.685 -10.599 -15.354 1.00 0.00 O ATOM 897 CG2 THR A 66 0.482 -11.440 -15.188 1.00 0.00 C ATOM 0 H THR A 66 0.444 -7.213 -16.192 1.00 0.00 H new ATOM 0 HA THR A 66 -0.703 -8.833 -14.269 1.00 0.00 H new ATOM 0 HB THR A 66 -0.181 -10.243 -16.852 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.323 -10.112 -15.916 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.224 -12.377 -15.681 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.540 -11.228 -15.342 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.281 -11.524 -14.120 1.00 0.00 H new ATOM 905 N VAL A 67 1.491 -9.034 -13.282 1.00 0.00 N ATOM 906 CA VAL A 67 2.786 -8.963 -12.627 1.00 0.00 C ATOM 907 C VAL A 67 3.097 -10.311 -11.974 1.00 0.00 C ATOM 908 O VAL A 67 4.213 -10.813 -12.077 1.00 0.00 O ATOM 909 CB VAL A 67 2.809 -7.798 -11.636 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.809 -8.059 -10.507 1.00 0.00 C ATOM 911 CG2 VAL A 67 3.116 -6.479 -12.347 1.00 0.00 C ATOM 0 H VAL A 67 0.709 -9.233 -12.659 1.00 0.00 H new ATOM 0 HA VAL A 67 3.572 -8.766 -13.356 1.00 0.00 H new ATOM 0 HB VAL A 67 1.817 -7.715 -11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.806 -7.216 -9.816 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.526 -8.966 -9.973 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.808 -8.181 -10.926 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.126 -5.667 -11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.090 -6.545 -12.831 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.350 -6.284 -13.098 1.00 0.00 H new ATOM 921 N ILE A 68 2.085 -10.859 -11.314 1.00 0.00 N ATOM 922 CA ILE A 68 2.236 -12.139 -10.643 1.00 0.00 C ATOM 923 C ILE A 68 0.890 -12.865 -10.632 1.00 0.00 C ATOM 924 O ILE A 68 -0.161 -12.235 -10.737 1.00 0.00 O ATOM 925 CB ILE A 68 2.843 -11.946 -9.252 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.892 -13.021 -8.958 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.753 -11.902 -8.180 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.255 -12.390 -8.661 1.00 0.00 C ATOM 0 H ILE A 68 1.159 -10.440 -11.230 1.00 0.00 H new ATOM 0 HA ILE A 68 2.937 -12.774 -11.185 1.00 0.00 H new ATOM 0 HB ILE A 68 3.354 -10.983 -9.232 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.573 -13.623 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.977 -13.694 -9.811 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.211 -11.764 -7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.076 -11.073 -8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.194 -12.838 -8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.982 -13.175 -8.455 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.582 -11.809 -9.523 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.172 -11.736 -7.793 1.00 0.00 H new ATOM 939 N GLU A 69 0.964 -14.182 -10.502 1.00 0.00 N ATOM 940 CA GLU A 69 -0.236 -15.001 -10.475 1.00 0.00 C ATOM 941 C GLU A 69 -0.073 -16.150 -9.478 1.00 0.00 C ATOM 942 O GLU A 69 1.039 -16.620 -9.245 1.00 0.00 O ATOM 943 CB GLU A 69 -0.570 -15.530 -11.871 1.00 0.00 C ATOM 944 CG GLU A 69 -0.965 -14.389 -12.810 1.00 0.00 C ATOM 945 CD GLU A 69 -2.197 -14.762 -13.638 1.00 0.00 C ATOM 946 OE1 GLU A 69 -2.075 -15.714 -14.440 1.00 0.00 O ATOM 947 OE2 GLU A 69 -3.232 -14.088 -13.450 1.00 0.00 O ATOM 0 H GLU A 69 1.837 -14.702 -10.414 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.069 -14.379 -10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.291 -16.060 -12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.385 -16.250 -11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.171 -13.490 -12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.133 -14.155 -13.474 1.00 0.00 H new ATOM 952 N HIS A 70 -1.197 -16.566 -8.915 1.00 0.00 N ATOM 953 CA HIS A 70 -1.193 -17.651 -7.948 1.00 0.00 C ATOM 954 C HIS A 70 -0.392 -17.233 -6.712 1.00 0.00 C ATOM 955 O HIS A 70 0.349 -18.035 -6.149 1.00 0.00 O ATOM 956 CB HIS A 70 -0.673 -18.942 -8.582 1.00 0.00 C ATOM 957 CG HIS A 70 -1.123 -19.150 -10.009 1.00 0.00 C ATOM 958 ND1 HIS A 70 -0.718 -18.555 -11.167 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -2.104 -20.062 -10.360 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -1.412 -19.076 -12.172 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -2.271 -20.010 -11.673 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.117 -16.172 -9.110 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.213 -17.859 -7.625 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.417 -18.936 -8.553 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.003 -19.789 -7.981 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.641 -20.706 -9.679 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.313 -18.805 -13.213 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.928 -20.571 -12.216 1.00 0.00 H new ATOM 968 N TYR A 71 -0.572 -15.977 -6.327 1.00 0.00 N ATOM 969 CA TYR A 71 0.125 -15.444 -5.169 1.00 0.00 C ATOM 970 C TYR A 71 -0.687 -15.669 -3.891 1.00 0.00 C ATOM 971 O TYR A 71 -1.900 -15.471 -3.879 1.00 0.00 O ATOM 972 CB TYR A 71 0.260 -13.940 -5.414 1.00 0.00 C ATOM 973 CG TYR A 71 1.601 -13.355 -4.969 1.00 0.00 C ATOM 974 CD1 TYR A 71 2.775 -13.809 -5.536 1.00 0.00 C ATOM 975 CD2 TYR A 71 1.638 -12.373 -3.999 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.037 -13.259 -5.116 1.00 0.00 C ATOM 977 CE2 TYR A 71 2.901 -11.822 -3.580 1.00 0.00 C ATOM 978 CZ TYR A 71 4.038 -12.293 -4.159 1.00 0.00 C ATOM 979 OH TYR A 71 5.231 -11.772 -3.763 1.00 0.00 O ATOM 0 H TYR A 71 -1.190 -15.315 -6.796 1.00 0.00 H new ATOM 0 HA TYR A 71 1.090 -15.935 -5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.124 -13.742 -6.477 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.543 -13.423 -4.888 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.746 -14.577 -6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.720 -12.018 -3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.963 -13.606 -5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.944 -11.053 -2.823 1.00 0.00 H new ATOM 0 HH TYR A 71 5.078 -11.091 -3.075 1.00 0.00 H new ATOM 988 N HIS A 72 0.018 -16.079 -2.846 1.00 0.00 N ATOM 989 CA HIS A 72 -0.621 -16.333 -1.566 1.00 0.00 C ATOM 990 C HIS A 72 0.023 -15.456 -0.489 1.00 0.00 C ATOM 991 O HIS A 72 0.169 -15.882 0.656 1.00 0.00 O ATOM 992 CB HIS A 72 -0.575 -17.823 -1.223 1.00 0.00 C ATOM 993 CG HIS A 72 -1.683 -18.274 -0.301 1.00 0.00 C ATOM 994 ND1 HIS A 72 -1.927 -17.680 0.925 1.00 0.00 N ATOM 995 CD2 HIS A 72 -2.610 -19.266 -0.439 1.00 0.00 C ATOM 996 CE1 HIS A 72 -2.954 -18.295 1.492 1.00 0.00 C ATOM 997 NE2 HIS A 72 -3.376 -19.278 0.644 1.00 0.00 N ATOM 0 H HIS A 72 1.025 -16.241 -2.860 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.676 -16.065 -1.621 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.627 -18.400 -2.146 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.385 -18.049 -0.759 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -1.404 -16.900 1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.704 -19.929 -1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.382 -18.060 2.455 1.00 0.00 H new ATOM 1004 N ARG A 73 0.389 -14.250 -0.894 1.00 0.00 N ATOM 1005 CA ARG A 73 1.014 -13.310 0.022 1.00 0.00 C ATOM 1006 C ARG A 73 0.124 -12.079 0.207 1.00 0.00 C ATOM 1007 O ARG A 73 -0.940 -11.979 -0.404 1.00 0.00 O ATOM 1008 CB ARG A 73 2.385 -12.867 -0.492 1.00 0.00 C ATOM 1009 CG ARG A 73 3.498 -13.321 0.454 1.00 0.00 C ATOM 1010 CD ARG A 73 4.144 -12.124 1.155 1.00 0.00 C ATOM 1011 NE ARG A 73 5.541 -11.961 0.694 1.00 0.00 N ATOM 1012 CZ ARG A 73 6.574 -12.675 1.161 1.00 0.00 C ATOM 1013 NH1 ARG A 73 6.373 -13.605 2.105 1.00 0.00 N ATOM 1014 NH2 ARG A 73 7.808 -12.458 0.684 1.00 0.00 N ATOM 0 H ARG A 73 0.265 -13.901 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 73 1.144 -13.816 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.556 -13.281 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.407 -11.782 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.091 -14.006 1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.254 -13.871 -0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.575 -11.218 0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.123 -12.270 2.235 1.00 0.00 H new ATOM 0 HE ARG A 73 5.729 -11.261 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.434 -13.769 2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.159 -14.149 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.960 -11.750 -0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.595 -13.001 1.039 1.00 0.00 H new ATOM 1025 N THR A 74 0.590 -11.173 1.054 1.00 0.00 N ATOM 1026 CA THR A 74 -0.150 -9.953 1.328 1.00 0.00 C ATOM 1027 C THR A 74 0.707 -8.727 1.007 1.00 0.00 C ATOM 1028 O THR A 74 0.345 -7.604 1.355 1.00 0.00 O ATOM 1029 CB THR A 74 -0.620 -10.002 2.783 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.527 -10.442 3.505 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.658 -11.100 3.027 1.00 0.00 C ATOM 0 H THR A 74 1.471 -11.260 1.560 1.00 0.00 H new ATOM 0 HA THR A 74 -1.030 -9.872 0.690 1.00 0.00 H new ATOM 0 HB THR A 74 -1.042 -9.036 3.060 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.311 -10.500 4.459 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.958 -11.091 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.531 -10.922 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.226 -12.070 2.781 1.00 0.00 H new ATOM 1039 N SER A 75 1.827 -8.983 0.346 1.00 0.00 N ATOM 1040 CA SER A 75 2.738 -7.914 -0.025 1.00 0.00 C ATOM 1041 C SER A 75 3.683 -8.392 -1.129 1.00 0.00 C ATOM 1042 O SER A 75 4.086 -9.554 -1.145 1.00 0.00 O ATOM 1043 CB SER A 75 3.538 -7.427 1.184 1.00 0.00 C ATOM 1044 OG SER A 75 3.610 -8.413 2.210 1.00 0.00 O ATOM 0 H SER A 75 2.124 -9.915 0.058 1.00 0.00 H new ATOM 0 HA SER A 75 2.148 -7.076 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.546 -7.159 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.078 -6.523 1.582 1.00 0.00 H new ATOM 0 HG SER A 75 4.130 -8.064 2.963 1.00 0.00 H new ATOM 1049 N ALA A 76 4.009 -7.472 -2.025 1.00 0.00 N ATOM 1050 CA ALA A 76 4.899 -7.785 -3.129 1.00 0.00 C ATOM 1051 C ALA A 76 5.648 -6.519 -3.550 1.00 0.00 C ATOM 1052 O ALA A 76 5.081 -5.427 -3.545 1.00 0.00 O ATOM 1053 CB ALA A 76 4.093 -8.393 -4.278 1.00 0.00 C ATOM 0 H ALA A 76 3.672 -6.509 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 76 5.642 -8.522 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.761 -8.628 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.604 -9.305 -3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.339 -7.680 -4.611 1.00 0.00 H new ATOM 1059 N THR A 77 6.912 -6.707 -3.904 1.00 0.00 N ATOM 1060 CA THR A 77 7.743 -5.593 -4.326 1.00 0.00 C ATOM 1061 C THR A 77 7.719 -5.456 -5.849 1.00 0.00 C ATOM 1062 O THR A 77 7.773 -6.454 -6.566 1.00 0.00 O ATOM 1063 CB THR A 77 9.148 -5.811 -3.758 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.977 -5.680 -2.349 1.00 0.00 O ATOM 1065 CG2 THR A 77 10.109 -4.678 -4.123 1.00 0.00 C ATOM 0 H THR A 77 7.380 -7.614 -3.907 1.00 0.00 H new ATOM 0 HA THR A 77 7.362 -4.647 -3.940 1.00 0.00 H new ATOM 0 HB THR A 77 9.545 -6.757 -4.126 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.839 -5.809 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.091 -4.882 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.193 -4.607 -5.207 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.729 -3.737 -3.726 1.00 0.00 H new ATOM 1073 N ILE A 78 7.636 -4.212 -6.298 1.00 0.00 N ATOM 1074 CA ILE A 78 7.603 -3.932 -7.724 1.00 0.00 C ATOM 1075 C ILE A 78 8.972 -3.415 -8.169 1.00 0.00 C ATOM 1076 O ILE A 78 9.719 -2.853 -7.369 1.00 0.00 O ATOM 1077 CB ILE A 78 6.450 -2.983 -8.056 1.00 0.00 C ATOM 1078 CG1 ILE A 78 5.147 -3.454 -7.406 1.00 0.00 C ATOM 1079 CG2 ILE A 78 6.305 -2.806 -9.569 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.636 -4.736 -8.068 1.00 0.00 C ATOM 0 H ILE A 78 7.591 -3.387 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 78 7.408 -4.844 -8.288 1.00 0.00 H new ATOM 0 HB ILE A 78 6.682 -2.004 -7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.310 -3.630 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.392 -2.672 -7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.479 -2.127 -9.778 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.227 -2.392 -9.977 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.106 -3.773 -10.031 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.709 -5.049 -7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.451 -4.550 -9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.383 -5.523 -7.963 1.00 0.00 H new ATOM 1091 N THR A 79 9.262 -3.624 -9.446 1.00 0.00 N ATOM 1092 CA THR A 79 10.528 -3.186 -10.007 1.00 0.00 C ATOM 1093 C THR A 79 10.311 -2.547 -11.380 1.00 0.00 C ATOM 1094 O THR A 79 9.188 -2.516 -11.883 1.00 0.00 O ATOM 1095 CB THR A 79 11.472 -4.390 -10.040 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.634 -5.478 -10.421 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.976 -4.778 -8.649 1.00 0.00 C ATOM 0 H THR A 79 8.641 -4.091 -10.107 1.00 0.00 H new ATOM 0 HA THR A 79 10.986 -2.412 -9.392 1.00 0.00 H new ATOM 0 HB THR A 79 12.322 -4.166 -10.685 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.166 -6.300 -10.469 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.642 -5.637 -8.730 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.518 -3.939 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.128 -5.034 -8.013 1.00 0.00 H new ATOM 1105 N GLU A 80 11.401 -2.053 -11.947 1.00 0.00 N ATOM 1106 CA GLU A 80 11.344 -1.416 -13.252 1.00 0.00 C ATOM 1107 C GLU A 80 10.321 -0.279 -13.242 1.00 0.00 C ATOM 1108 O GLU A 80 9.317 -0.335 -13.951 1.00 0.00 O ATOM 1109 CB GLU A 80 11.019 -2.435 -14.345 1.00 0.00 C ATOM 1110 CG GLU A 80 12.289 -2.880 -15.073 1.00 0.00 C ATOM 1111 CD GLU A 80 11.973 -3.340 -16.498 1.00 0.00 C ATOM 1112 OE1 GLU A 80 11.399 -4.443 -16.624 1.00 0.00 O ATOM 1113 OE2 GLU A 80 12.310 -2.577 -17.428 1.00 0.00 O ATOM 0 H GLU A 80 12.330 -2.081 -11.527 1.00 0.00 H new ATOM 0 HA GLU A 80 12.325 -0.995 -13.473 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.525 -3.301 -13.905 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.320 -1.998 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.003 -2.057 -15.103 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.763 -3.692 -14.522 1.00 0.00 H new ATOM 1118 N LEU A 81 10.610 0.728 -12.431 1.00 0.00 N ATOM 1119 CA LEU A 81 9.728 1.878 -12.320 1.00 0.00 C ATOM 1120 C LEU A 81 10.533 3.157 -12.552 1.00 0.00 C ATOM 1121 O LEU A 81 11.567 3.368 -11.919 1.00 0.00 O ATOM 1122 CB LEU A 81 8.982 1.854 -10.984 1.00 0.00 C ATOM 1123 CG LEU A 81 8.232 0.561 -10.657 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.768 0.550 -9.200 1.00 0.00 C ATOM 1125 CD2 LEU A 81 7.074 0.338 -11.630 1.00 0.00 C ATOM 0 H LEU A 81 11.443 0.772 -11.844 1.00 0.00 H new ATOM 0 HA LEU A 81 8.957 1.843 -13.090 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.700 2.046 -10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.268 2.677 -10.975 1.00 0.00 H new ATOM 0 HG LEU A 81 8.921 -0.274 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.238 -0.380 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.633 0.628 -8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.101 1.394 -9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.558 -0.588 -11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.376 1.173 -11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.461 0.270 -12.647 1.00 0.00 H new ATOM 1136 N VAL A 82 10.029 3.979 -13.461 1.00 0.00 N ATOM 1137 CA VAL A 82 10.688 5.233 -13.783 1.00 0.00 C ATOM 1138 C VAL A 82 10.345 6.275 -12.717 1.00 0.00 C ATOM 1139 O VAL A 82 9.223 6.308 -12.214 1.00 0.00 O ATOM 1140 CB VAL A 82 10.306 5.677 -15.197 1.00 0.00 C ATOM 1141 CG1 VAL A 82 8.788 5.797 -15.342 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.997 6.991 -15.566 1.00 0.00 C ATOM 0 H VAL A 82 9.172 3.801 -13.985 1.00 0.00 H new ATOM 0 HA VAL A 82 11.771 5.107 -13.777 1.00 0.00 H new ATOM 0 HB VAL A 82 10.650 4.911 -15.892 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.543 6.114 -16.356 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.326 4.830 -15.142 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.412 6.533 -14.631 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.708 7.283 -16.576 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.698 7.769 -14.863 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.078 6.858 -15.522 1.00 0.00 H new ATOM 1152 N ILE A 83 11.333 7.101 -12.403 1.00 0.00 N ATOM 1153 CA ILE A 83 11.149 8.141 -11.405 1.00 0.00 C ATOM 1154 C ILE A 83 10.574 9.390 -12.075 1.00 0.00 C ATOM 1155 O ILE A 83 11.291 10.119 -12.758 1.00 0.00 O ATOM 1156 CB ILE A 83 12.456 8.396 -10.651 1.00 0.00 C ATOM 1157 CG1 ILE A 83 12.972 7.111 -9.997 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.292 9.528 -9.635 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.358 7.325 -9.388 1.00 0.00 C ATOM 0 H ILE A 83 12.263 7.071 -12.822 1.00 0.00 H new ATOM 0 HA ILE A 83 10.428 7.822 -10.652 1.00 0.00 H new ATOM 0 HB ILE A 83 13.208 8.716 -11.372 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.276 6.788 -9.222 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.016 6.313 -10.739 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.236 9.688 -9.113 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.004 10.443 -10.153 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.520 9.261 -8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.701 6.397 -8.930 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.057 7.624 -10.169 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.306 8.106 -8.630 1.00 0.00 H new ATOM 1170 N GLY A 84 9.283 9.597 -11.859 1.00 0.00 N ATOM 1171 CA GLY A 84 8.602 10.745 -12.434 1.00 0.00 C ATOM 1172 C GLY A 84 7.223 10.353 -12.968 1.00 0.00 C ATOM 1173 O GLY A 84 6.350 11.205 -13.125 1.00 0.00 O ATOM 0 H GLY A 84 8.691 8.989 -11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.496 11.525 -11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.204 11.162 -13.241 1.00 0.00 H new ATOM 1177 N ASN A 85 7.070 9.064 -13.232 1.00 0.00 N ATOM 1178 CA ASN A 85 5.812 8.549 -13.745 1.00 0.00 C ATOM 1179 C ASN A 85 5.017 7.925 -12.598 1.00 0.00 C ATOM 1180 O ASN A 85 5.590 7.518 -11.588 1.00 0.00 O ATOM 1181 CB ASN A 85 6.049 7.468 -14.801 1.00 0.00 C ATOM 1182 CG ASN A 85 6.324 8.090 -16.171 1.00 0.00 C ATOM 1183 OD1 ASN A 85 6.084 9.262 -16.409 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.840 7.242 -17.057 1.00 0.00 N ATOM 0 H ASN A 85 7.797 8.360 -13.100 1.00 0.00 H new ATOM 0 HA ASN A 85 5.266 9.378 -14.195 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.893 6.844 -14.505 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.177 6.817 -14.862 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.059 7.561 -18.001 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.017 6.273 -16.792 1.00 0.00 H new ATOM 1190 N GLU A 86 3.707 7.867 -12.791 1.00 0.00 N ATOM 1191 CA GLU A 86 2.826 7.298 -11.785 1.00 0.00 C ATOM 1192 C GLU A 86 2.181 6.013 -12.309 1.00 0.00 C ATOM 1193 O GLU A 86 2.028 5.839 -13.518 1.00 0.00 O ATOM 1194 CB GLU A 86 1.762 8.309 -11.354 1.00 0.00 C ATOM 1195 CG GLU A 86 0.760 8.565 -12.481 1.00 0.00 C ATOM 1196 CD GLU A 86 0.974 9.948 -13.101 1.00 0.00 C ATOM 1197 OE1 GLU A 86 0.456 10.921 -12.511 1.00 0.00 O ATOM 1198 OE2 GLU A 86 1.650 10.000 -14.151 1.00 0.00 O ATOM 0 H GLU A 86 3.235 8.205 -13.629 1.00 0.00 H new ATOM 0 HA GLU A 86 3.422 7.050 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.237 7.937 -10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.240 9.246 -11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.866 7.798 -13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.256 8.489 -12.093 1.00 0.00 H new ATOM 1203 N TYR A 87 1.821 5.146 -11.375 1.00 0.00 N ATOM 1204 CA TYR A 87 1.196 3.883 -11.728 1.00 0.00 C ATOM 1205 C TYR A 87 0.069 3.537 -10.753 1.00 0.00 C ATOM 1206 O TYR A 87 -0.093 4.196 -9.727 1.00 0.00 O ATOM 1207 CB TYR A 87 2.295 2.823 -11.616 1.00 0.00 C ATOM 1208 CG TYR A 87 3.495 3.072 -12.533 1.00 0.00 C ATOM 1209 CD1 TYR A 87 4.431 4.028 -12.199 1.00 0.00 C ATOM 1210 CD2 TYR A 87 3.639 2.338 -13.692 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.560 4.261 -13.062 1.00 0.00 C ATOM 1212 CE2 TYR A 87 4.768 2.571 -14.556 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.673 3.521 -14.198 1.00 0.00 C ATOM 1214 OH TYR A 87 6.739 3.742 -15.012 1.00 0.00 O ATOM 0 H TYR A 87 1.950 5.293 -10.374 1.00 0.00 H new ATOM 0 HA TYR A 87 0.765 3.935 -12.728 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.642 2.782 -10.584 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.869 1.847 -11.849 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.317 4.602 -11.291 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.906 1.589 -13.952 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.301 5.007 -12.813 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.893 2.004 -15.467 1.00 0.00 H new ATOM 0 HH TYR A 87 6.516 4.442 -15.661 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.680 2.502 -11.106 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.786 2.061 -10.274 1.00 0.00 C ATOM 1225 C TYR A 88 -1.702 0.558 -10.002 1.00 0.00 C ATOM 1226 O TYR A 88 -1.393 -0.223 -10.900 1.00 0.00 O ATOM 1227 CB TYR A 88 -3.057 2.351 -11.075 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.514 3.810 -11.011 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.832 4.381 -9.797 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.606 4.555 -12.170 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.261 5.755 -9.737 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.036 5.928 -12.110 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.342 6.461 -10.896 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.747 7.757 -10.840 1.00 0.00 O ATOM 0 H TYR A 88 -0.542 1.957 -11.957 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.771 2.574 -9.312 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.887 2.080 -12.117 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.860 1.713 -10.706 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.759 3.798 -8.891 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.356 4.108 -13.121 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.513 6.214 -8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.114 6.522 -13.009 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.756 8.136 -11.744 1.00 0.00 H new ATOM 1243 N PHE A 89 -1.982 0.198 -8.757 1.00 0.00 N ATOM 1244 CA PHE A 89 -1.941 -1.197 -8.355 1.00 0.00 C ATOM 1245 C PHE A 89 -3.343 -1.716 -8.030 1.00 0.00 C ATOM 1246 O PHE A 89 -4.138 -1.016 -7.403 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.077 -1.274 -7.094 1.00 0.00 C ATOM 1248 CG PHE A 89 0.334 -0.711 -7.271 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.138 -1.187 -8.260 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.784 0.268 -6.441 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.447 -0.663 -8.424 1.00 0.00 C ATOM 1252 CE2 PHE A 89 2.093 0.792 -6.606 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.898 0.315 -7.593 1.00 0.00 C ATOM 0 H PHE A 89 -2.238 0.849 -8.014 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.536 -1.805 -9.164 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.575 -0.731 -6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.005 -2.315 -6.778 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.780 -1.963 -8.920 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.146 0.647 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.085 -1.041 -9.209 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.450 1.570 -5.947 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.895 0.712 -7.717 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.605 -2.937 -8.470 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.898 -3.557 -8.234 1.00 0.00 C ATOM 1264 C ARG A 90 -4.728 -5.052 -7.958 1.00 0.00 C ATOM 1265 O ARG A 90 -4.235 -5.792 -8.808 1.00 0.00 O ATOM 1266 CB ARG A 90 -5.826 -3.371 -9.437 1.00 0.00 C ATOM 1267 CG ARG A 90 -7.034 -2.507 -9.068 1.00 0.00 C ATOM 1268 CD ARG A 90 -7.637 -1.848 -10.310 1.00 0.00 C ATOM 1269 NE ARG A 90 -8.486 -2.819 -11.035 1.00 0.00 N ATOM 1270 CZ ARG A 90 -9.784 -3.024 -10.774 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -10.390 -2.328 -9.802 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -10.477 -3.926 -11.483 1.00 0.00 N ATOM 0 H ARG A 90 -2.944 -3.515 -8.989 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.344 -3.072 -7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.277 -2.905 -10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.165 -4.344 -9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.788 -3.121 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.733 -1.740 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.229 -0.980 -10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.842 -1.488 -10.963 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.056 -3.367 -11.780 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.863 -1.642 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.378 -2.484 -9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.016 -4.457 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.465 -4.081 -11.284 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.143 -5.452 -6.765 1.00 0.00 N ATOM 1284 CA VAL A 91 -5.043 -6.845 -6.366 1.00 0.00 C ATOM 1285 C VAL A 91 -6.391 -7.534 -6.589 1.00 0.00 C ATOM 1286 O VAL A 91 -7.434 -7.000 -6.217 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.556 -6.941 -4.919 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.533 -8.395 -4.443 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.179 -6.291 -4.760 1.00 0.00 C ATOM 0 H VAL A 91 -5.549 -4.835 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.307 -7.365 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.260 -6.394 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.183 -8.435 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.538 -8.813 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.862 -8.975 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.856 -6.373 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.461 -6.798 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.239 -5.239 -5.040 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.325 -8.710 -7.197 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.527 -9.477 -7.474 1.00 0.00 C ATOM 1301 C PHE A 92 -7.578 -10.745 -6.619 1.00 0.00 C ATOM 1302 O PHE A 92 -6.721 -10.954 -5.762 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.474 -9.874 -8.951 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.662 -8.703 -9.917 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -6.589 -7.966 -10.311 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.904 -8.398 -10.383 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -6.765 -6.880 -11.208 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -9.079 -7.312 -11.279 1.00 0.00 C ATOM 1309 CZ PHE A 92 -8.006 -6.574 -11.672 1.00 0.00 C ATOM 0 H PHE A 92 -5.458 -9.150 -7.505 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.410 -8.880 -7.244 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.514 -10.349 -9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.246 -10.619 -9.144 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.603 -8.207 -9.941 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.756 -8.983 -10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.912 -6.296 -11.522 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.065 -7.071 -11.649 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.140 -5.746 -12.352 1.00 0.00 H new ATOM 1318 N SER A 93 -8.591 -11.558 -6.883 1.00 0.00 N ATOM 1319 CA SER A 93 -8.764 -12.800 -6.149 1.00 0.00 C ATOM 1320 C SER A 93 -8.956 -13.962 -7.124 1.00 0.00 C ATOM 1321 O SER A 93 -9.618 -13.813 -8.150 1.00 0.00 O ATOM 1322 CB SER A 93 -9.952 -12.710 -5.189 1.00 0.00 C ATOM 1323 OG SER A 93 -9.876 -11.560 -4.350 1.00 0.00 O ATOM 0 H SER A 93 -9.300 -11.381 -7.595 1.00 0.00 H new ATOM 0 HA SER A 93 -7.866 -12.976 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.879 -12.680 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.988 -13.607 -4.571 1.00 0.00 H new ATOM 0 HG SER A 93 -10.772 -11.332 -4.026 1.00 0.00 H new ATOM 1328 N GLU A 94 -8.367 -15.094 -6.770 1.00 0.00 N ATOM 1329 CA GLU A 94 -8.465 -16.282 -7.601 1.00 0.00 C ATOM 1330 C GLU A 94 -9.297 -17.355 -6.897 1.00 0.00 C ATOM 1331 O GLU A 94 -9.563 -17.254 -5.700 1.00 0.00 O ATOM 1332 CB GLU A 94 -7.077 -16.814 -7.963 1.00 0.00 C ATOM 1333 CG GLU A 94 -6.648 -16.328 -9.349 1.00 0.00 C ATOM 1334 CD GLU A 94 -5.901 -17.427 -10.108 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -6.524 -18.488 -10.328 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -4.725 -17.181 -10.452 1.00 0.00 O ATOM 0 H GLU A 94 -7.819 -15.214 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.968 -16.012 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.352 -16.486 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.084 -17.904 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.525 -16.020 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.009 -15.451 -9.249 1.00 0.00 H new ATOM 1341 N ASN A 95 -9.685 -18.360 -7.669 1.00 0.00 N ATOM 1342 CA ASN A 95 -10.482 -19.450 -7.135 1.00 0.00 C ATOM 1343 C ASN A 95 -11.025 -20.294 -8.290 1.00 0.00 C ATOM 1344 O ASN A 95 -10.835 -19.951 -9.456 1.00 0.00 O ATOM 1345 CB ASN A 95 -11.674 -18.922 -6.335 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.507 -19.216 -4.842 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -11.104 -18.372 -4.059 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -11.838 -20.456 -4.495 1.00 0.00 N ATOM 0 H ASN A 95 -9.462 -18.442 -8.661 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.843 -20.044 -6.481 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.772 -17.847 -6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -12.593 -19.381 -6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.761 -20.751 -3.522 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.169 -21.112 -5.202 1.00 0.00 H new ATOM 1354 N MET A 96 -11.689 -21.381 -7.926 1.00 0.00 N ATOM 1355 CA MET A 96 -12.261 -22.276 -8.918 1.00 0.00 C ATOM 1356 C MET A 96 -13.135 -21.507 -9.911 1.00 0.00 C ATOM 1357 O MET A 96 -13.386 -21.981 -11.018 1.00 0.00 O ATOM 1358 CB MET A 96 -13.102 -23.345 -8.217 1.00 0.00 C ATOM 1359 CG MET A 96 -14.135 -22.706 -7.286 1.00 0.00 C ATOM 1360 SD MET A 96 -15.729 -22.655 -8.087 1.00 0.00 S ATOM 1361 CE MET A 96 -16.681 -23.641 -6.942 1.00 0.00 C ATOM 0 H MET A 96 -11.844 -21.662 -6.958 1.00 0.00 H new ATOM 0 HA MET A 96 -11.446 -22.746 -9.469 1.00 0.00 H new ATOM 0 HB2 MET A 96 -13.609 -23.960 -8.961 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.452 -24.007 -7.645 1.00 0.00 H new ATOM 0 HG2 MET A 96 -14.203 -23.275 -6.359 1.00 0.00 H new ATOM 0 HG3 MET A 96 -13.821 -21.697 -7.018 1.00 0.00 H new ATOM 0 HE1 MET A 96 -17.711 -23.713 -7.292 1.00 0.00 H new ATOM 0 HE2 MET A 96 -16.250 -24.640 -6.876 1.00 0.00 H new ATOM 0 HE3 MET A 96 -16.664 -23.173 -5.958 1.00 0.00 H new ATOM 1369 N CYS A 97 -13.575 -20.335 -9.478 1.00 0.00 N ATOM 1370 CA CYS A 97 -14.416 -19.497 -10.315 1.00 0.00 C ATOM 1371 C CYS A 97 -13.534 -18.843 -11.380 1.00 0.00 C ATOM 1372 O CYS A 97 -13.524 -19.272 -12.533 1.00 0.00 O ATOM 1373 CB CYS A 97 -15.179 -18.458 -9.490 1.00 0.00 C ATOM 1374 SG CYS A 97 -16.591 -19.251 -8.638 1.00 0.00 S ATOM 0 H CYS A 97 -13.365 -19.946 -8.559 1.00 0.00 H new ATOM 0 HA CYS A 97 -15.176 -20.110 -10.800 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.512 -18.001 -8.759 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.537 -17.658 -10.138 1.00 0.00 H new ATOM 0 HG CYS A 97 -16.318 -20.503 -8.418 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.815 -17.814 -10.957 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.931 -17.096 -11.861 1.00 0.00 C ATOM 1381 C GLY A 98 -11.305 -15.885 -11.167 1.00 0.00 C ATOM 1382 O GLY A 98 -10.906 -15.966 -10.006 1.00 0.00 O ATOM 0 H GLY A 98 -12.826 -17.460 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.145 -17.764 -12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.489 -16.769 -12.738 1.00 0.00 H new ATOM 1386 N LEU A 99 -11.237 -14.788 -11.909 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.666 -13.561 -11.379 1.00 0.00 C ATOM 1388 C LEU A 99 -11.784 -12.688 -10.808 1.00 0.00 C ATOM 1389 O LEU A 99 -12.889 -12.655 -11.349 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.822 -12.860 -12.446 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.340 -13.241 -12.485 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.742 -13.262 -11.077 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -8.134 -14.569 -13.215 1.00 0.00 C ATOM 0 H LEU A 99 -11.568 -14.724 -12.872 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.983 -13.781 -10.558 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.257 -13.072 -13.423 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.896 -11.784 -12.291 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.806 -12.477 -13.050 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.688 -13.536 -11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.837 -12.274 -10.627 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.274 -13.992 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.072 -14.816 -13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.683 -15.357 -12.699 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.499 -14.482 -14.238 1.00 0.00 H new ATOM 1404 N SER A 100 -11.459 -12.001 -9.723 1.00 0.00 N ATOM 1405 CA SER A 100 -12.423 -11.129 -9.073 1.00 0.00 C ATOM 1406 C SER A 100 -13.012 -10.149 -10.089 1.00 0.00 C ATOM 1407 O SER A 100 -12.293 -9.622 -10.937 1.00 0.00 O ATOM 1408 CB SER A 100 -11.781 -10.367 -7.912 1.00 0.00 C ATOM 1409 OG SER A 100 -12.680 -9.430 -7.326 1.00 0.00 O ATOM 0 H SER A 100 -10.542 -12.030 -9.278 1.00 0.00 H new ATOM 0 HA SER A 100 -13.224 -11.747 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.450 -11.075 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.894 -9.844 -8.268 1.00 0.00 H new ATOM 0 HG SER A 100 -12.224 -8.572 -7.203 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.313 -9.934 -9.972 1.00 0.00 N ATOM 1415 CA GLU A 101 -15.007 -9.027 -10.871 1.00 0.00 C ATOM 1416 C GLU A 101 -14.412 -7.621 -10.767 1.00 0.00 C ATOM 1417 O GLU A 101 -14.359 -6.891 -11.756 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.509 -9.010 -10.581 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.300 -9.603 -11.749 1.00 0.00 C ATOM 1420 CD GLU A 101 -18.023 -8.507 -12.534 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -17.312 -7.631 -13.072 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -19.271 -8.571 -12.579 1.00 0.00 O ATOM 0 H GLU A 101 -14.906 -10.372 -9.268 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.872 -9.384 -11.892 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.714 -9.577 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.836 -7.986 -10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.625 -10.145 -12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -18.025 -10.324 -11.373 1.00 0.00 H new ATOM 1427 N ASP A 102 -13.980 -7.284 -9.561 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.392 -5.978 -9.316 1.00 0.00 C ATOM 1429 C ASP A 102 -12.200 -6.130 -8.368 1.00 0.00 C ATOM 1430 O ASP A 102 -12.160 -7.055 -7.559 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.400 -5.033 -8.659 1.00 0.00 C ATOM 1432 CG ASP A 102 -15.442 -5.717 -7.771 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -16.282 -6.446 -8.340 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -15.376 -5.493 -6.543 1.00 0.00 O ATOM 0 H ASP A 102 -14.025 -7.892 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.082 -5.563 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.855 -4.304 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.919 -4.478 -9.441 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.257 -5.208 -8.501 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.068 -5.228 -7.667 1.00 0.00 C ATOM 1440 C ALA A 103 -10.000 -3.935 -6.852 1.00 0.00 C ATOM 1441 O ALA A 103 -10.310 -2.860 -7.362 1.00 0.00 O ATOM 1442 CB ALA A 103 -8.831 -5.431 -8.546 1.00 0.00 C ATOM 0 H ALA A 103 -11.293 -4.442 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.107 -6.059 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.939 -5.446 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.916 -6.377 -9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.757 -4.614 -9.264 1.00 0.00 H new ATOM 1448 N THR A 104 -9.589 -4.082 -5.601 1.00 0.00 N ATOM 1449 CA THR A 104 -9.476 -2.939 -4.711 1.00 0.00 C ATOM 1450 C THR A 104 -8.239 -2.112 -5.061 1.00 0.00 C ATOM 1451 O THR A 104 -7.124 -2.459 -4.671 1.00 0.00 O ATOM 1452 CB THR A 104 -9.474 -3.458 -3.272 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.821 -3.868 -3.049 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.248 -2.345 -2.248 1.00 0.00 C ATOM 0 H THR A 104 -9.330 -4.975 -5.183 1.00 0.00 H new ATOM 0 HA THR A 104 -10.323 -2.263 -4.826 1.00 0.00 H new ATOM 0 HB THR A 104 -8.698 -4.215 -3.161 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.862 -4.436 -2.252 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.256 -2.768 -1.243 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.285 -1.869 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.042 -1.603 -2.336 1.00 0.00 H new ATOM 1462 N MET A 105 -8.473 -1.033 -5.793 1.00 0.00 N ATOM 1463 CA MET A 105 -7.390 -0.154 -6.199 1.00 0.00 C ATOM 1464 C MET A 105 -7.012 0.807 -5.071 1.00 0.00 C ATOM 1465 O MET A 105 -7.869 1.232 -4.298 1.00 0.00 O ATOM 1466 CB MET A 105 -7.818 0.648 -7.430 1.00 0.00 C ATOM 1467 CG MET A 105 -6.614 0.980 -8.314 1.00 0.00 C ATOM 1468 SD MET A 105 -7.162 1.399 -9.960 1.00 0.00 S ATOM 1469 CE MET A 105 -6.709 3.125 -10.007 1.00 0.00 C ATOM 0 H MET A 105 -9.398 -0.747 -6.116 1.00 0.00 H new ATOM 0 HA MET A 105 -6.520 -0.766 -6.437 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.549 0.078 -8.004 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.308 1.570 -7.116 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.056 1.812 -7.885 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.936 0.128 -8.354 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.599 3.739 -9.870 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.996 3.336 -9.210 1.00 0.00 H new ATOM 0 HE3 MET A 105 -6.255 3.356 -10.970 1.00 0.00 H new ATOM 1477 N THR A 106 -5.726 1.122 -5.011 1.00 0.00 N ATOM 1478 CA THR A 106 -5.223 2.026 -3.990 1.00 0.00 C ATOM 1479 C THR A 106 -5.931 3.378 -4.078 1.00 0.00 C ATOM 1480 O THR A 106 -6.010 3.973 -5.152 1.00 0.00 O ATOM 1481 CB THR A 106 -3.705 2.123 -4.151 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.521 2.416 -5.534 1.00 0.00 O ATOM 1483 CG2 THR A 106 -3.008 0.774 -3.960 1.00 0.00 C ATOM 0 H THR A 106 -5.017 0.767 -5.653 1.00 0.00 H new ATOM 0 HA THR A 106 -5.435 1.649 -2.989 1.00 0.00 H new ATOM 0 HB THR A 106 -3.309 2.841 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.746 3.355 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.932 0.899 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.216 0.396 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.379 0.065 -4.700 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.431 3.824 -2.935 1.00 0.00 N ATOM 1492 CA LYS A 107 -7.131 5.096 -2.869 1.00 0.00 C ATOM 1493 C LYS A 107 -6.356 6.142 -3.674 1.00 0.00 C ATOM 1494 O LYS A 107 -6.945 7.078 -4.212 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.376 5.499 -1.413 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.872 5.521 -1.096 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.418 6.950 -1.125 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.943 6.957 -1.007 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.354 7.233 0.388 1.00 0.00 N ATOM 0 H LYS A 107 -6.365 3.327 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.119 5.011 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.870 4.799 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.946 6.483 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.410 4.908 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.046 5.081 -0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.984 7.526 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.119 7.438 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.362 7.713 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.343 5.995 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.392 7.234 0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.970 6.497 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.989 8.162 0.680 1.00 0.00 H new ATOM 1509 N GLU A 108 -5.047 5.946 -3.733 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.186 6.861 -4.463 1.00 0.00 C ATOM 1511 C GLU A 108 -3.188 6.079 -5.321 1.00 0.00 C ATOM 1512 O GLU A 108 -3.255 4.854 -5.395 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.462 7.812 -3.509 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.418 8.874 -2.962 1.00 0.00 C ATOM 1515 CD GLU A 108 -3.749 9.701 -1.862 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -2.930 10.572 -2.225 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -4.072 9.441 -0.682 1.00 0.00 O ATOM 0 H GLU A 108 -4.562 5.167 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.808 7.466 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.031 7.246 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.635 8.295 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.739 9.530 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.313 8.394 -2.567 1.00 0.00 H new ATOM 1522 N SER A 109 -2.286 6.821 -5.945 1.00 0.00 N ATOM 1523 CA SER A 109 -1.276 6.213 -6.795 1.00 0.00 C ATOM 1524 C SER A 109 0.105 6.361 -6.153 1.00 0.00 C ATOM 1525 O SER A 109 0.272 7.117 -5.198 1.00 0.00 O ATOM 1526 CB SER A 109 -1.281 6.838 -8.191 1.00 0.00 C ATOM 1527 OG SER A 109 -0.855 8.198 -8.170 1.00 0.00 O ATOM 0 H SER A 109 -2.233 7.838 -5.879 1.00 0.00 H new ATOM 0 HA SER A 109 -1.510 5.154 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.627 6.264 -8.847 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.285 6.779 -8.611 1.00 0.00 H new ATOM 0 HG SER A 109 -0.871 8.560 -9.081 1.00 0.00 H new ATOM 1532 N ALA A 110 1.060 5.627 -6.705 1.00 0.00 N ATOM 1533 CA ALA A 110 2.422 5.666 -6.198 1.00 0.00 C ATOM 1534 C ALA A 110 3.286 6.511 -7.136 1.00 0.00 C ATOM 1535 O ALA A 110 3.443 6.179 -8.310 1.00 0.00 O ATOM 1536 CB ALA A 110 2.951 4.239 -6.044 1.00 0.00 C ATOM 0 H ALA A 110 0.918 5.002 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 110 2.452 6.132 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.972 4.269 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.319 3.690 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.939 3.740 -7.013 1.00 0.00 H new ATOM 1542 N VAL A 111 3.825 7.589 -6.583 1.00 0.00 N ATOM 1543 CA VAL A 111 4.669 8.484 -7.356 1.00 0.00 C ATOM 1544 C VAL A 111 6.134 8.082 -7.171 1.00 0.00 C ATOM 1545 O VAL A 111 6.749 8.411 -6.159 1.00 0.00 O ATOM 1546 CB VAL A 111 4.393 9.935 -6.959 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.601 10.825 -7.259 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.137 10.465 -7.654 1.00 0.00 C ATOM 0 H VAL A 111 3.693 7.862 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 111 4.441 8.402 -8.419 1.00 0.00 H new ATOM 0 HB VAL A 111 4.217 9.959 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.378 11.851 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.464 10.468 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.822 10.791 -8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.964 11.499 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.272 10.418 -8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.279 9.856 -7.369 1.00 0.00 H new ATOM 1558 N ILE A 112 6.650 7.375 -8.166 1.00 0.00 N ATOM 1559 CA ILE A 112 8.030 6.924 -8.127 1.00 0.00 C ATOM 1560 C ILE A 112 8.933 8.094 -7.728 1.00 0.00 C ATOM 1561 O ILE A 112 8.679 9.236 -8.108 1.00 0.00 O ATOM 1562 CB ILE A 112 8.419 6.272 -9.455 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.394 5.214 -9.868 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.838 5.701 -9.391 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.003 4.336 -8.677 1.00 0.00 C ATOM 0 H ILE A 112 6.136 7.104 -9.004 1.00 0.00 H new ATOM 0 HA ILE A 112 8.157 6.150 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 112 8.416 7.042 -10.227 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.507 5.701 -10.273 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.807 4.593 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.090 5.243 -10.348 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.544 6.503 -9.176 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.892 4.949 -8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.273 3.592 -8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.889 3.832 -8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.568 4.957 -7.894 1.00 0.00 H new ATOM 1576 N ALA A 113 9.968 7.769 -6.968 1.00 0.00 N ATOM 1577 CA ALA A 113 10.909 8.778 -6.515 1.00 0.00 C ATOM 1578 C ALA A 113 12.028 8.104 -5.717 1.00 0.00 C ATOM 1579 O ALA A 113 11.811 7.067 -5.094 1.00 0.00 O ATOM 1580 CB ALA A 113 10.168 9.839 -5.699 1.00 0.00 C ATOM 0 H ALA A 113 10.175 6.821 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 113 11.368 9.283 -7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.875 10.596 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.405 10.308 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.696 9.370 -4.836 1.00 0.00 H new