USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 538 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 60 GLN : amide:sc= -0.338 K(o=-2.2,f=-1.7) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.89 X(o=-2.2,f=-2.5) USER MOD Set 2.1: A 20 SER OG : rot -155:sc= 1.14 USER MOD Set 2.2: A 46 CYS SG : rot 170:sc= -1.56 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.081) USER MOD Single : A 22 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.6!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.738 K(o=0.74,f=-0.13) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0598 (180deg=-0.427) USER MOD Single : A 33 ASN : amide:sc= 1.01 K(o=1,f=-7!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.028) USER MOD Single : A 41 THR OG1 : rot 155:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= -0.403 K(o=-0.4,f=-2) USER MOD Single : A 51 CYS SG : rot 71:sc= -0.192 USER MOD Single : A 53 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.096 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.733 K(o=0.73,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -4.001 -2.285 7.859 1.00 0.00 N ATOM 271 CA LYS A 15 -3.188 -3.427 8.233 1.00 0.00 C ATOM 272 C LYS A 15 -3.279 -4.439 7.092 1.00 0.00 C ATOM 273 O LYS A 15 -4.188 -4.346 6.272 1.00 0.00 O ATOM 274 CB LYS A 15 -3.699 -4.049 9.546 1.00 0.00 C ATOM 275 CG LYS A 15 -5.212 -4.349 9.557 1.00 0.00 C ATOM 276 CD LYS A 15 -6.002 -3.184 10.175 1.00 0.00 C ATOM 277 CE LYS A 15 -7.311 -2.898 9.428 1.00 0.00 C ATOM 278 NZ LYS A 15 -7.940 -1.654 9.916 1.00 0.00 N ATOM 0 HA LYS A 15 -2.154 -3.124 8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.155 -4.975 9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.468 -3.373 10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.558 -4.528 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.401 -5.261 10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.225 -3.413 11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.382 -2.287 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.113 -2.814 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.999 -3.733 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.823 -1.484 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.149 -1.746 10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.291 -0.855 9.767 1.00 0.00 H new ATOM 292 N TRP A 16 -2.378 -5.415 7.075 1.00 0.00 N ATOM 293 CA TRP A 16 -2.534 -6.609 6.267 1.00 0.00 C ATOM 294 C TRP A 16 -3.232 -7.686 7.098 1.00 0.00 C ATOM 295 O TRP A 16 -4.199 -8.291 6.655 1.00 0.00 O ATOM 296 CB TRP A 16 -1.157 -7.061 5.771 1.00 0.00 C ATOM 297 CG TRP A 16 -0.792 -6.516 4.432 1.00 0.00 C ATOM 298 CD1 TRP A 16 0.109 -5.556 4.130 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.378 -6.924 3.174 1.00 0.00 C ATOM 300 NE1 TRP A 16 0.143 -5.374 2.758 1.00 0.00 N ATOM 301 CE2 TRP A 16 -0.783 -6.175 2.122 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.353 -7.872 2.832 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.165 -6.341 0.786 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.674 -8.117 1.487 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.122 -7.317 0.471 1.00 0.00 C ATOM 0 H TRP A 16 -1.519 -5.396 7.624 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.153 -6.411 5.392 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.402 -6.756 6.495 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.136 -8.150 5.728 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.709 -5.015 4.847 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.772 -4.730 2.279 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.862 -8.419 3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.730 -5.728 0.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.347 -8.922 1.232 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.435 -7.454 -0.553 1.00 0.00 H new ATOM 316 N GLY A 17 -2.719 -7.928 8.300 1.00 0.00 N ATOM 317 CA GLY A 17 -3.211 -8.963 9.207 1.00 0.00 C ATOM 318 C GLY A 17 -2.334 -10.213 9.098 1.00 0.00 C ATOM 319 O GLY A 17 -1.627 -10.378 8.103 1.00 0.00 O ATOM 0 H GLY A 17 -1.933 -7.400 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.205 -8.593 10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.244 -9.211 8.963 1.00 0.00 H new ATOM 323 N PRO A 18 -2.241 -11.051 10.139 1.00 0.00 N ATOM 324 CA PRO A 18 -1.221 -12.089 10.227 1.00 0.00 C ATOM 325 C PRO A 18 -1.363 -13.204 9.198 1.00 0.00 C ATOM 326 O PRO A 18 -0.388 -13.600 8.563 1.00 0.00 O ATOM 327 CB PRO A 18 -1.283 -12.615 11.664 1.00 0.00 C ATOM 328 CG PRO A 18 -2.704 -12.264 12.111 1.00 0.00 C ATOM 329 CD PRO A 18 -2.981 -10.950 11.382 1.00 0.00 C ATOM 0 HA PRO A 18 -0.246 -11.664 9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.103 -13.689 11.707 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.534 -12.141 12.298 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.418 -13.039 11.831 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.769 -12.147 13.193 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.047 -10.817 11.198 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.650 -10.094 11.970 1.00 0.00 H new ATOM 337 N ALA A 19 -2.569 -13.722 9.036 1.00 0.00 N ATOM 338 CA ALA A 19 -2.840 -14.800 8.092 1.00 0.00 C ATOM 339 C ALA A 19 -2.563 -14.283 6.688 1.00 0.00 C ATOM 340 O ALA A 19 -1.847 -14.889 5.900 1.00 0.00 O ATOM 341 CB ALA A 19 -4.290 -15.260 8.223 1.00 0.00 C ATOM 0 H ALA A 19 -3.390 -13.409 9.554 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.199 -15.657 8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.482 -16.065 7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.468 -15.619 9.237 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.957 -14.424 8.012 1.00 0.00 H new ATOM 347 N SER A 20 -3.097 -13.103 6.415 1.00 0.00 N ATOM 348 CA SER A 20 -2.854 -12.321 5.231 1.00 0.00 C ATOM 349 C SER A 20 -1.348 -12.145 4.997 1.00 0.00 C ATOM 350 O SER A 20 -0.862 -12.326 3.889 1.00 0.00 O ATOM 351 CB SER A 20 -3.587 -10.993 5.438 1.00 0.00 C ATOM 352 OG SER A 20 -4.978 -11.224 5.631 1.00 0.00 O ATOM 0 H SER A 20 -3.747 -12.647 7.055 1.00 0.00 H new ATOM 0 HA SER A 20 -3.227 -12.811 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.174 -10.472 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.435 -10.347 4.574 1.00 0.00 H new ATOM 0 HG SER A 20 -5.482 -10.426 5.368 1.00 0.00 H new ATOM 358 N GLN A 21 -0.571 -11.837 6.033 1.00 0.00 N ATOM 359 CA GLN A 21 0.878 -11.784 5.904 1.00 0.00 C ATOM 360 C GLN A 21 1.451 -13.172 5.609 1.00 0.00 C ATOM 361 O GLN A 21 2.435 -13.279 4.888 1.00 0.00 O ATOM 362 CB GLN A 21 1.512 -11.101 7.123 1.00 0.00 C ATOM 363 CG GLN A 21 1.410 -9.579 6.929 1.00 0.00 C ATOM 364 CD GLN A 21 1.393 -8.757 8.209 1.00 0.00 C ATOM 365 OE1 GLN A 21 2.050 -7.723 8.330 1.00 0.00 O ATOM 366 NE2 GLN A 21 0.551 -9.139 9.148 1.00 0.00 N ATOM 0 H GLN A 21 -0.921 -11.622 6.966 1.00 0.00 H new ATOM 0 HA GLN A 21 1.136 -11.164 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.000 -11.403 8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.554 -11.402 7.228 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.251 -9.251 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.502 -9.362 6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.014 -9.998 9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.436 -8.575 9.990 1.00 0.00 H new ATOM 375 N GLN A 22 0.845 -14.242 6.113 1.00 0.00 N ATOM 376 CA GLN A 22 1.218 -15.593 5.721 1.00 0.00 C ATOM 377 C GLN A 22 1.030 -15.776 4.205 1.00 0.00 C ATOM 378 O GLN A 22 1.961 -16.204 3.522 1.00 0.00 O ATOM 379 CB GLN A 22 0.485 -16.624 6.597 1.00 0.00 C ATOM 380 CG GLN A 22 1.378 -17.822 6.949 1.00 0.00 C ATOM 381 CD GLN A 22 2.363 -17.532 8.081 1.00 0.00 C ATOM 382 OE1 GLN A 22 3.068 -16.524 8.077 1.00 0.00 O ATOM 383 NE2 GLN A 22 2.431 -18.393 9.085 1.00 0.00 N ATOM 0 H GLN A 22 0.090 -14.197 6.797 1.00 0.00 H new ATOM 0 HA GLN A 22 2.279 -15.766 5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.146 -16.143 7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.404 -16.976 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.748 -18.665 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.934 -18.124 6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.844 -19.227 9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.071 -18.222 9.861 1.00 0.00 H new ATOM 392 N ILE A 23 -0.121 -15.360 3.662 1.00 0.00 N ATOM 393 CA ILE A 23 -0.334 -15.295 2.214 1.00 0.00 C ATOM 394 C ILE A 23 0.829 -14.518 1.580 1.00 0.00 C ATOM 395 O ILE A 23 1.439 -14.961 0.610 1.00 0.00 O ATOM 396 CB ILE A 23 -1.686 -14.650 1.838 1.00 0.00 C ATOM 397 CG1 ILE A 23 -2.904 -15.251 2.561 1.00 0.00 C ATOM 398 CG2 ILE A 23 -1.903 -14.648 0.319 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.360 -16.617 2.054 1.00 0.00 C ATOM 0 H ILE A 23 -0.926 -15.061 4.212 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.366 -16.314 1.829 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.613 -13.621 2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.669 -15.336 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.737 -14.554 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.864 -14.187 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.105 -14.082 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.895 -15.673 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.223 -16.949 2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.633 -16.542 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.549 -17.337 2.168 1.00 0.00 H new ATOM 411 N LEU A 24 1.145 -13.338 2.113 1.00 0.00 N ATOM 412 CA LEU A 24 2.170 -12.490 1.529 1.00 0.00 C ATOM 413 C LEU A 24 3.499 -13.248 1.461 1.00 0.00 C ATOM 414 O LEU A 24 4.160 -13.250 0.426 1.00 0.00 O ATOM 415 CB LEU A 24 2.354 -11.210 2.349 1.00 0.00 C ATOM 416 CG LEU A 24 1.229 -10.173 2.225 1.00 0.00 C ATOM 417 CD1 LEU A 24 1.728 -8.859 2.825 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.763 -9.965 0.782 1.00 0.00 C ATOM 0 H LEU A 24 0.703 -12.953 2.948 1.00 0.00 H new ATOM 0 HA LEU A 24 1.852 -12.217 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.456 -11.484 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.291 -10.740 2.050 1.00 0.00 H new ATOM 0 HG LEU A 24 0.358 -10.542 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.945 -8.104 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.984 -9.012 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.611 -8.523 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.033 -9.221 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.600 -9.619 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.390 -10.907 0.381 1.00 0.00 H new ATOM 430 N PHE A 25 3.907 -13.890 2.556 1.00 0.00 N ATOM 431 CA PHE A 25 5.119 -14.692 2.606 1.00 0.00 C ATOM 432 C PHE A 25 5.082 -15.787 1.537 1.00 0.00 C ATOM 433 O PHE A 25 6.032 -15.910 0.756 1.00 0.00 O ATOM 434 CB PHE A 25 5.316 -15.301 4.003 1.00 0.00 C ATOM 435 CG PHE A 25 5.779 -14.334 5.081 1.00 0.00 C ATOM 436 CD1 PHE A 25 7.085 -13.820 5.027 1.00 0.00 C ATOM 437 CD2 PHE A 25 4.996 -14.093 6.224 1.00 0.00 C ATOM 438 CE1 PHE A 25 7.581 -13.037 6.084 1.00 0.00 C ATOM 439 CE2 PHE A 25 5.463 -13.251 7.247 1.00 0.00 C ATOM 440 CZ PHE A 25 6.759 -12.718 7.176 1.00 0.00 C ATOM 0 H PHE A 25 3.397 -13.865 3.439 1.00 0.00 H new ATOM 0 HA PHE A 25 5.968 -14.040 2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.374 -15.748 4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.043 -16.109 3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.710 -14.027 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.026 -14.560 6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.600 -12.679 6.056 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.826 -13.014 8.086 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.122 -12.066 7.957 1.00 0.00 H new ATOM 450 N GLN A 26 4.009 -16.583 1.507 1.00 0.00 N ATOM 451 CA GLN A 26 3.907 -17.721 0.600 1.00 0.00 C ATOM 452 C GLN A 26 3.985 -17.239 -0.855 1.00 0.00 C ATOM 453 O GLN A 26 4.588 -17.896 -1.706 1.00 0.00 O ATOM 454 CB GLN A 26 2.670 -18.591 0.927 1.00 0.00 C ATOM 455 CG GLN A 26 1.414 -18.291 0.092 1.00 0.00 C ATOM 456 CD GLN A 26 0.129 -18.942 0.608 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.096 -19.671 1.598 1.00 0.00 O ATOM 458 NE2 GLN A 26 -0.986 -18.667 -0.046 1.00 0.00 N ATOM 0 H GLN A 26 3.194 -16.455 2.107 1.00 0.00 H new ATOM 0 HA GLN A 26 4.757 -18.387 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.937 -19.639 0.788 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.424 -18.462 1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.268 -17.211 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.587 -18.624 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.960 -18.063 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.873 -19.059 0.270 1.00 0.00 H new ATOM 467 N ALA A 27 3.401 -16.074 -1.140 1.00 0.00 N ATOM 468 CA ALA A 27 3.433 -15.451 -2.448 1.00 0.00 C ATOM 469 C ALA A 27 4.851 -15.003 -2.792 1.00 0.00 C ATOM 470 O ALA A 27 5.382 -15.367 -3.839 1.00 0.00 O ATOM 471 CB ALA A 27 2.488 -14.257 -2.458 1.00 0.00 C ATOM 0 H ALA A 27 2.884 -15.532 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 27 3.113 -16.175 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.509 -13.785 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.475 -14.593 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.803 -13.537 -1.703 1.00 0.00 H new ATOM 477 N TYR A 28 5.461 -14.208 -1.910 1.00 0.00 N ATOM 478 CA TYR A 28 6.788 -13.637 -2.111 1.00 0.00 C ATOM 479 C TYR A 28 7.828 -14.739 -2.311 1.00 0.00 C ATOM 480 O TYR A 28 8.850 -14.524 -2.971 1.00 0.00 O ATOM 481 CB TYR A 28 7.159 -12.737 -0.924 1.00 0.00 C ATOM 482 CG TYR A 28 8.164 -11.659 -1.266 1.00 0.00 C ATOM 483 CD1 TYR A 28 7.714 -10.475 -1.874 1.00 0.00 C ATOM 484 CD2 TYR A 28 9.543 -11.861 -1.067 1.00 0.00 C ATOM 485 CE1 TYR A 28 8.634 -9.539 -2.365 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.463 -10.891 -1.508 1.00 0.00 C ATOM 487 CZ TYR A 28 10.007 -9.742 -2.176 1.00 0.00 C ATOM 488 OH TYR A 28 10.870 -8.759 -2.544 1.00 0.00 O ATOM 0 H TYR A 28 5.037 -13.940 -1.022 1.00 0.00 H new ATOM 0 HA TYR A 28 6.774 -13.028 -3.015 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.254 -12.268 -0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.563 -13.356 -0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.655 -10.285 -1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.894 -12.757 -0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.285 -8.662 -2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.520 -11.030 -1.333 1.00 0.00 H new ATOM 0 HH TYR A 28 11.789 -9.041 -2.352 1.00 0.00 H new ATOM 498 N GLU A 29 7.578 -15.909 -1.715 1.00 0.00 N ATOM 499 CA GLU A 29 8.345 -17.105 -1.979 1.00 0.00 C ATOM 500 C GLU A 29 8.173 -17.526 -3.443 1.00 0.00 C ATOM 501 O GLU A 29 9.181 -17.726 -4.119 1.00 0.00 O ATOM 502 CB GLU A 29 7.945 -18.222 -1.002 1.00 0.00 C ATOM 503 CG GLU A 29 8.892 -19.424 -1.091 1.00 0.00 C ATOM 504 CD GLU A 29 8.545 -20.474 -0.061 1.00 0.00 C ATOM 505 OE1 GLU A 29 7.534 -21.178 -0.259 1.00 0.00 O ATOM 506 OE2 GLU A 29 9.292 -20.581 0.932 1.00 0.00 O ATOM 0 H GLU A 29 6.831 -16.042 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 29 9.404 -16.901 -1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.947 -17.832 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.927 -18.545 -1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.838 -19.859 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.920 -19.092 -0.943 1.00 0.00 H new ATOM 513 N ARG A 30 6.944 -17.683 -3.946 1.00 0.00 N ATOM 514 CA ARG A 30 6.766 -18.221 -5.289 1.00 0.00 C ATOM 515 C ARG A 30 7.136 -17.191 -6.348 1.00 0.00 C ATOM 516 O ARG A 30 8.065 -17.430 -7.125 1.00 0.00 O ATOM 517 CB ARG A 30 5.392 -18.870 -5.529 1.00 0.00 C ATOM 518 CG ARG A 30 4.122 -18.080 -5.173 1.00 0.00 C ATOM 519 CD ARG A 30 2.906 -18.854 -5.708 1.00 0.00 C ATOM 520 NE ARG A 30 1.701 -18.718 -4.863 1.00 0.00 N ATOM 521 CZ ARG A 30 0.438 -18.655 -5.327 1.00 0.00 C ATOM 522 NH1 ARG A 30 0.190 -18.237 -6.563 1.00 0.00 N ATOM 523 NH2 ARG A 30 -0.572 -19.014 -4.543 1.00 0.00 N ATOM 0 H ARG A 30 6.081 -17.451 -3.455 1.00 0.00 H new ATOM 0 HA ARG A 30 7.468 -19.050 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.332 -19.131 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.367 -19.804 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.045 -17.951 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.160 -17.083 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.676 -18.503 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.165 -19.910 -5.790 1.00 0.00 H new ATOM 0 HE ARG A 30 1.836 -18.668 -3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.960 -17.960 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.770 -18.193 -6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.390 -19.336 -3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.530 -18.967 -4.891 1.00 0.00 H new ATOM 537 N GLN A 31 6.459 -16.045 -6.389 1.00 0.00 N ATOM 538 CA GLN A 31 6.770 -14.976 -7.319 1.00 0.00 C ATOM 539 C GLN A 31 7.221 -13.743 -6.552 1.00 0.00 C ATOM 540 O GLN A 31 6.425 -13.049 -5.927 1.00 0.00 O ATOM 541 CB GLN A 31 5.575 -14.660 -8.214 1.00 0.00 C ATOM 542 CG GLN A 31 5.258 -15.820 -9.168 1.00 0.00 C ATOM 543 CD GLN A 31 4.718 -15.319 -10.505 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.449 -14.739 -11.303 1.00 0.00 O ATOM 545 NE2 GLN A 31 3.447 -15.552 -10.797 1.00 0.00 N ATOM 0 H GLN A 31 5.675 -15.837 -5.771 1.00 0.00 H new ATOM 0 HA GLN A 31 7.583 -15.302 -7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.703 -14.449 -7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.781 -13.759 -8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.159 -16.409 -9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.527 -16.483 -8.705 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.850 -16.035 -10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.066 -15.249 -11.693 1.00 0.00 H new ATOM 554 N LYS A 32 8.508 -13.431 -6.670 1.00 0.00 N ATOM 555 CA LYS A 32 9.037 -12.136 -6.285 1.00 0.00 C ATOM 556 C LYS A 32 8.314 -11.032 -7.057 1.00 0.00 C ATOM 557 O LYS A 32 8.057 -9.957 -6.517 1.00 0.00 O ATOM 558 CB LYS A 32 10.532 -12.116 -6.617 1.00 0.00 C ATOM 559 CG LYS A 32 11.307 -13.022 -5.657 1.00 0.00 C ATOM 560 CD LYS A 32 12.649 -13.411 -6.288 1.00 0.00 C ATOM 561 CE LYS A 32 13.582 -14.106 -5.290 1.00 0.00 C ATOM 562 NZ LYS A 32 13.879 -13.253 -4.123 1.00 0.00 N ATOM 0 H LYS A 32 9.211 -14.073 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 32 8.887 -11.966 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.687 -12.447 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.912 -11.096 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.474 -12.508 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.725 -13.917 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.471 -14.072 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.137 -12.518 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.124 -15.035 -4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.513 -14.373 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.725 -13.612 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.050 -12.277 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.071 -13.267 -3.468 1.00 0.00 H new ATOM 576 N ASN A 33 8.058 -11.275 -8.345 1.00 0.00 N ATOM 577 CA ASN A 33 7.489 -10.305 -9.268 1.00 0.00 C ATOM 578 C ASN A 33 6.081 -10.783 -9.624 1.00 0.00 C ATOM 579 O ASN A 33 5.960 -11.647 -10.490 1.00 0.00 O ATOM 580 CB ASN A 33 8.364 -10.216 -10.532 1.00 0.00 C ATOM 581 CG ASN A 33 9.784 -9.765 -10.222 1.00 0.00 C ATOM 582 OD1 ASN A 33 10.000 -8.603 -9.888 1.00 0.00 O ATOM 583 ND2 ASN A 33 10.750 -10.672 -10.302 1.00 0.00 N ATOM 0 H ASN A 33 8.248 -12.178 -8.781 1.00 0.00 H new ATOM 0 HA ASN A 33 7.448 -9.314 -8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.393 -11.190 -11.020 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.910 -9.520 -11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.712 -10.413 -10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.530 -11.628 -10.583 1.00 0.00 H new ATOM 590 N PRO A 34 5.010 -10.280 -8.994 1.00 0.00 N ATOM 591 CA PRO A 34 3.670 -10.806 -9.205 1.00 0.00 C ATOM 592 C PRO A 34 3.156 -10.363 -10.574 1.00 0.00 C ATOM 593 O PRO A 34 2.557 -9.298 -10.698 1.00 0.00 O ATOM 594 CB PRO A 34 2.832 -10.217 -8.071 1.00 0.00 C ATOM 595 CG PRO A 34 3.500 -8.859 -7.863 1.00 0.00 C ATOM 596 CD PRO A 34 4.983 -9.201 -8.021 1.00 0.00 C ATOM 0 HA PRO A 34 3.632 -11.895 -9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.782 -10.118 -8.347 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.869 -10.833 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.170 -8.126 -8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.280 -8.444 -6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.553 -8.340 -8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.421 -9.512 -7.073 1.00 0.00 H new ATOM 604 N SER A 35 3.420 -11.160 -11.606 1.00 0.00 N ATOM 605 CA SER A 35 3.262 -10.730 -12.984 1.00 0.00 C ATOM 606 C SER A 35 1.869 -10.145 -13.257 1.00 0.00 C ATOM 607 O SER A 35 1.741 -8.953 -13.547 1.00 0.00 O ATOM 608 CB SER A 35 3.634 -11.884 -13.928 1.00 0.00 C ATOM 609 OG SER A 35 3.964 -11.399 -15.216 1.00 0.00 O ATOM 0 H SER A 35 3.749 -12.120 -11.506 1.00 0.00 H new ATOM 0 HA SER A 35 3.950 -9.907 -13.178 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.478 -12.437 -13.517 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.800 -12.582 -14.001 1.00 0.00 H new ATOM 0 HG SER A 35 4.199 -12.151 -15.799 1.00 0.00 H new ATOM 615 N LYS A 36 0.827 -10.974 -13.212 1.00 0.00 N ATOM 616 CA LYS A 36 -0.432 -10.644 -13.864 1.00 0.00 C ATOM 617 C LYS A 36 -1.587 -11.355 -13.183 1.00 0.00 C ATOM 618 O LYS A 36 -2.464 -10.707 -12.613 1.00 0.00 O ATOM 619 CB LYS A 36 -0.319 -11.074 -15.335 1.00 0.00 C ATOM 620 CG LYS A 36 0.014 -9.916 -16.277 1.00 0.00 C ATOM 621 CD LYS A 36 0.119 -10.480 -17.701 1.00 0.00 C ATOM 622 CE LYS A 36 0.213 -9.376 -18.759 1.00 0.00 C ATOM 623 NZ LYS A 36 1.319 -8.437 -18.513 1.00 0.00 N ATOM 0 H LYS A 36 0.833 -11.874 -12.732 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.627 -9.574 -13.797 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.451 -11.840 -15.425 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.259 -11.529 -15.647 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.759 -9.149 -16.227 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.951 -9.443 -15.984 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.997 -11.123 -17.771 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.750 -11.104 -17.907 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.342 -9.831 -19.741 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.726 -8.824 -18.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.386 -7.764 -19.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.143 -7.917 -17.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.211 -8.965 -18.432 1.00 0.00 H new ATOM 637 N GLU A 37 -1.568 -12.681 -13.241 1.00 0.00 N ATOM 638 CA GLU A 37 -2.486 -13.510 -12.506 1.00 0.00 C ATOM 639 C GLU A 37 -2.159 -13.343 -11.034 1.00 0.00 C ATOM 640 O GLU A 37 -3.030 -12.988 -10.250 1.00 0.00 O ATOM 641 CB GLU A 37 -2.281 -14.968 -12.932 1.00 0.00 C ATOM 642 CG GLU A 37 -3.480 -15.821 -12.510 1.00 0.00 C ATOM 643 CD GLU A 37 -3.024 -16.983 -11.660 1.00 0.00 C ATOM 644 OE1 GLU A 37 -2.483 -16.735 -10.566 1.00 0.00 O ATOM 645 OE2 GLU A 37 -3.194 -18.116 -12.155 1.00 0.00 O ATOM 0 H GLU A 37 -0.903 -13.207 -13.809 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.523 -13.232 -12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.150 -15.023 -14.013 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.370 -15.361 -12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.191 -15.211 -11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.001 -16.190 -13.393 1.00 0.00 H new ATOM 652 N GLU A 38 -0.886 -13.562 -10.697 1.00 0.00 N ATOM 653 CA GLU A 38 -0.397 -13.730 -9.342 1.00 0.00 C ATOM 654 C GLU A 38 -1.076 -12.752 -8.395 1.00 0.00 C ATOM 655 O GLU A 38 -1.760 -13.133 -7.457 1.00 0.00 O ATOM 656 CB GLU A 38 1.122 -13.530 -9.352 1.00 0.00 C ATOM 657 CG GLU A 38 1.783 -14.013 -8.057 1.00 0.00 C ATOM 658 CD GLU A 38 1.690 -15.516 -7.860 1.00 0.00 C ATOM 659 OE1 GLU A 38 1.652 -16.244 -8.870 1.00 0.00 O ATOM 660 OE2 GLU A 38 1.621 -15.954 -6.698 1.00 0.00 O ATOM 0 H GLU A 38 -0.144 -13.628 -11.394 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.631 -14.732 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.551 -14.067 -10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.346 -12.473 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.832 -13.718 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.315 -13.513 -7.209 1.00 0.00 H new ATOM 667 N ARG A 39 -0.905 -11.467 -8.668 1.00 0.00 N ATOM 668 CA ARG A 39 -1.516 -10.405 -7.894 1.00 0.00 C ATOM 669 C ARG A 39 -3.027 -10.573 -7.711 1.00 0.00 C ATOM 670 O ARG A 39 -3.521 -10.469 -6.590 1.00 0.00 O ATOM 671 CB ARG A 39 -1.185 -9.039 -8.521 1.00 0.00 C ATOM 672 CG ARG A 39 -1.089 -9.118 -10.056 1.00 0.00 C ATOM 673 CD ARG A 39 -1.631 -7.871 -10.744 1.00 0.00 C ATOM 674 NE ARG A 39 -3.103 -7.885 -10.766 1.00 0.00 N ATOM 675 CZ ARG A 39 -3.896 -6.821 -10.576 1.00 0.00 C ATOM 676 NH1 ARG A 39 -3.386 -5.597 -10.442 1.00 0.00 N ATOM 677 NH2 ARG A 39 -5.208 -6.985 -10.526 1.00 0.00 N ATOM 0 H ARG A 39 -0.331 -11.132 -9.442 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.089 -10.460 -6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.952 -8.317 -8.242 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.241 -8.674 -8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.048 -9.263 -10.344 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.641 -9.990 -10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.279 -6.981 -10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.248 -7.817 -11.763 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.558 -8.781 -10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.376 -5.458 -10.483 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.005 -4.799 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.610 -7.916 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.817 -6.180 -10.382 1.00 0.00 H new ATOM 691 N GLU A 40 -3.757 -10.797 -8.800 1.00 0.00 N ATOM 692 CA GLU A 40 -5.191 -11.043 -8.734 1.00 0.00 C ATOM 693 C GLU A 40 -5.479 -12.240 -7.811 1.00 0.00 C ATOM 694 O GLU A 40 -6.325 -12.179 -6.917 1.00 0.00 O ATOM 695 CB GLU A 40 -5.724 -11.252 -10.160 1.00 0.00 C ATOM 696 CG GLU A 40 -6.712 -10.151 -10.575 1.00 0.00 C ATOM 697 CD GLU A 40 -6.503 -9.729 -12.003 1.00 0.00 C ATOM 698 OE1 GLU A 40 -5.522 -8.996 -12.234 1.00 0.00 O ATOM 699 OE2 GLU A 40 -7.358 -10.059 -12.847 1.00 0.00 O ATOM 0 H GLU A 40 -3.373 -10.813 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.709 -10.186 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.888 -11.271 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.216 -12.223 -10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.733 -10.511 -10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.593 -9.289 -9.919 1.00 0.00 H new ATOM 706 N THR A 41 -4.742 -13.320 -8.031 1.00 0.00 N ATOM 707 CA THR A 41 -4.719 -14.499 -7.202 1.00 0.00 C ATOM 708 C THR A 41 -4.498 -14.136 -5.729 1.00 0.00 C ATOM 709 O THR A 41 -5.239 -14.611 -4.881 1.00 0.00 O ATOM 710 CB THR A 41 -3.680 -15.482 -7.775 1.00 0.00 C ATOM 711 OG1 THR A 41 -4.331 -16.385 -8.647 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.864 -16.205 -6.703 1.00 0.00 C ATOM 0 H THR A 41 -4.117 -13.393 -8.833 1.00 0.00 H new ATOM 0 HA THR A 41 -5.686 -15.001 -7.219 1.00 0.00 H new ATOM 0 HB THR A 41 -2.945 -14.903 -8.333 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.689 -16.726 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.153 -16.880 -7.180 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.323 -15.474 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.533 -16.778 -6.061 1.00 0.00 H new ATOM 720 N LEU A 42 -3.516 -13.298 -5.387 1.00 0.00 N ATOM 721 CA LEU A 42 -3.248 -12.964 -4.003 1.00 0.00 C ATOM 722 C LEU A 42 -4.501 -12.388 -3.371 1.00 0.00 C ATOM 723 O LEU A 42 -4.844 -12.760 -2.256 1.00 0.00 O ATOM 724 CB LEU A 42 -2.112 -11.944 -3.876 1.00 0.00 C ATOM 725 CG LEU A 42 -0.735 -12.551 -3.578 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.067 -12.641 -4.877 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.018 -11.695 -2.530 1.00 0.00 C ATOM 0 H LEU A 42 -2.897 -12.842 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.946 -13.878 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.049 -11.373 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.362 -11.239 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.842 -13.558 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.047 -13.072 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.464 -13.272 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.191 -11.643 -5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.961 -12.125 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.106 -10.681 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.610 -11.669 -1.615 1.00 0.00 H new ATOM 739 N VAL A 43 -5.170 -11.468 -4.065 1.00 0.00 N ATOM 740 CA VAL A 43 -6.396 -10.899 -3.544 1.00 0.00 C ATOM 741 C VAL A 43 -7.381 -12.017 -3.210 1.00 0.00 C ATOM 742 O VAL A 43 -7.893 -12.063 -2.100 1.00 0.00 O ATOM 743 CB VAL A 43 -6.990 -9.897 -4.537 1.00 0.00 C ATOM 744 CG1 VAL A 43 -8.264 -9.304 -3.948 1.00 0.00 C ATOM 745 CG2 VAL A 43 -6.021 -8.750 -4.811 1.00 0.00 C ATOM 0 H VAL A 43 -4.883 -11.110 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.179 -10.352 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.193 -10.426 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.692 -8.589 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.983 -10.101 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.030 -8.797 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.471 -8.055 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.803 -8.228 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.096 -9.147 -5.230 1.00 0.00 H new ATOM 755 N GLU A 44 -7.632 -12.911 -4.161 1.00 0.00 N ATOM 756 CA GLU A 44 -8.539 -14.036 -4.002 1.00 0.00 C ATOM 757 C GLU A 44 -8.149 -14.880 -2.771 1.00 0.00 C ATOM 758 O GLU A 44 -8.942 -15.039 -1.843 1.00 0.00 O ATOM 759 CB GLU A 44 -8.505 -14.802 -5.333 1.00 0.00 C ATOM 760 CG GLU A 44 -9.408 -16.028 -5.416 1.00 0.00 C ATOM 761 CD GLU A 44 -10.858 -15.703 -5.129 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.452 -14.944 -5.926 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.388 -16.216 -4.123 1.00 0.00 O ATOM 0 H GLU A 44 -7.199 -12.870 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.564 -13.726 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.782 -14.115 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.479 -15.116 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.328 -16.467 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.061 -16.779 -4.707 1.00 0.00 H new ATOM 770 N GLU A 45 -6.914 -15.388 -2.754 1.00 0.00 N ATOM 771 CA GLU A 45 -6.295 -16.097 -1.636 1.00 0.00 C ATOM 772 C GLU A 45 -6.624 -15.404 -0.313 1.00 0.00 C ATOM 773 O GLU A 45 -7.118 -16.008 0.642 1.00 0.00 O ATOM 774 CB GLU A 45 -4.765 -16.122 -1.846 1.00 0.00 C ATOM 775 CG GLU A 45 -4.112 -17.504 -1.774 1.00 0.00 C ATOM 776 CD GLU A 45 -3.962 -18.135 -3.138 1.00 0.00 C ATOM 777 OE1 GLU A 45 -2.896 -17.953 -3.760 1.00 0.00 O ATOM 778 OE2 GLU A 45 -4.882 -18.881 -3.528 1.00 0.00 O ATOM 0 H GLU A 45 -6.291 -15.311 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.683 -17.115 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.542 -15.685 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.302 -15.481 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.131 -17.417 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.712 -18.155 -1.138 1.00 0.00 H new ATOM 785 N CYS A 46 -6.277 -14.124 -0.260 1.00 0.00 N ATOM 786 CA CYS A 46 -6.290 -13.366 0.976 1.00 0.00 C ATOM 787 C CYS A 46 -7.726 -13.144 1.409 1.00 0.00 C ATOM 788 O CYS A 46 -8.059 -13.265 2.578 1.00 0.00 O ATOM 789 CB CYS A 46 -5.572 -12.019 0.809 1.00 0.00 C ATOM 790 SG CYS A 46 -4.783 -11.628 2.391 1.00 0.00 S ATOM 0 H CYS A 46 -5.980 -13.586 -1.074 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.758 -13.933 1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.829 -12.076 0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.280 -11.239 0.530 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.990 -10.609 2.240 1.00 0.00 H new ATOM 796 N ASN A 47 -8.584 -12.828 0.444 1.00 0.00 N ATOM 797 CA ASN A 47 -10.014 -12.631 0.611 1.00 0.00 C ATOM 798 C ASN A 47 -10.636 -13.873 1.224 1.00 0.00 C ATOM 799 O ASN A 47 -11.340 -13.751 2.222 1.00 0.00 O ATOM 800 CB ASN A 47 -10.674 -12.299 -0.735 1.00 0.00 C ATOM 801 CG ASN A 47 -10.434 -10.871 -1.221 1.00 0.00 C ATOM 802 OD1 ASN A 47 -10.969 -10.478 -2.249 1.00 0.00 O ATOM 803 ND2 ASN A 47 -9.634 -10.062 -0.531 1.00 0.00 N ATOM 0 H ASN A 47 -8.283 -12.697 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.179 -11.789 1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.303 -12.993 -1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.748 -12.465 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.465 -9.111 -0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.190 -10.393 0.325 1.00 0.00 H new ATOM 810 N ARG A 48 -10.367 -15.061 0.674 1.00 0.00 N ATOM 811 CA ARG A 48 -10.891 -16.305 1.231 1.00 0.00 C ATOM 812 C ARG A 48 -10.541 -16.363 2.719 1.00 0.00 C ATOM 813 O ARG A 48 -11.401 -16.539 3.582 1.00 0.00 O ATOM 814 CB ARG A 48 -10.321 -17.528 0.484 1.00 0.00 C ATOM 815 CG ARG A 48 -11.128 -18.792 0.830 1.00 0.00 C ATOM 816 CD ARG A 48 -10.452 -20.097 0.380 1.00 0.00 C ATOM 817 NE ARG A 48 -10.329 -20.172 -1.084 1.00 0.00 N ATOM 818 CZ ARG A 48 -10.116 -21.282 -1.808 1.00 0.00 C ATOM 819 NH1 ARG A 48 -9.955 -22.472 -1.234 1.00 0.00 N ATOM 820 NH2 ARG A 48 -10.080 -21.192 -3.132 1.00 0.00 N ATOM 0 H ARG A 48 -9.789 -15.184 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.974 -16.329 1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.352 -17.352 -0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.275 -17.672 0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.286 -18.828 1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.112 -18.723 0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.463 -20.168 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.029 -20.948 0.740 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.414 -19.296 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.992 -22.557 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.795 -23.298 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.213 -20.288 -3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.919 -22.027 -3.696 1.00 0.00 H new ATOM 834 N ALA A 49 -9.256 -16.189 3.020 1.00 0.00 N ATOM 835 CA ALA A 49 -8.773 -16.216 4.387 1.00 0.00 C ATOM 836 C ALA A 49 -9.483 -15.178 5.253 1.00 0.00 C ATOM 837 O ALA A 49 -9.906 -15.470 6.373 1.00 0.00 O ATOM 838 CB ALA A 49 -7.251 -16.063 4.392 1.00 0.00 C ATOM 0 H ALA A 49 -8.529 -16.027 2.323 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.011 -17.180 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.887 -16.083 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.801 -16.882 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.979 -15.114 3.929 1.00 0.00 H new ATOM 844 N GLU A 50 -9.630 -13.967 4.737 1.00 0.00 N ATOM 845 CA GLU A 50 -10.177 -12.868 5.492 1.00 0.00 C ATOM 846 C GLU A 50 -11.681 -13.010 5.693 1.00 0.00 C ATOM 847 O GLU A 50 -12.196 -12.515 6.699 1.00 0.00 O ATOM 848 CB GLU A 50 -9.784 -11.550 4.838 1.00 0.00 C ATOM 849 CG GLU A 50 -8.332 -11.159 5.165 1.00 0.00 C ATOM 850 CD GLU A 50 -8.066 -9.671 5.020 1.00 0.00 C ATOM 851 OE1 GLU A 50 -9.050 -8.902 4.955 1.00 0.00 O ATOM 852 OE2 GLU A 50 -6.871 -9.310 5.049 1.00 0.00 O ATOM 0 H GLU A 50 -9.371 -13.726 3.780 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.751 -12.880 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.904 -11.631 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.457 -10.762 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.101 -11.465 6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.658 -11.708 4.507 1.00 0.00 H new ATOM 859 N CYS A 51 -12.385 -13.660 4.771 1.00 0.00 N ATOM 860 CA CYS A 51 -13.773 -14.019 5.002 1.00 0.00 C ATOM 861 C CYS A 51 -13.823 -15.037 6.128 1.00 0.00 C ATOM 862 O CYS A 51 -14.554 -14.826 7.087 1.00 0.00 O ATOM 863 CB CYS A 51 -14.511 -14.459 3.726 1.00 0.00 C ATOM 864 SG CYS A 51 -14.803 -16.242 3.607 1.00 0.00 S ATOM 0 H CYS A 51 -12.017 -13.946 3.864 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.327 -13.133 5.311 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.470 -13.942 3.679 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.934 -14.139 2.859 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.709 -16.592 4.471 1.00 0.00 H new ATOM 870 N ILE A 52 -12.975 -16.068 6.111 1.00 0.00 N ATOM 871 CA ILE A 52 -13.067 -17.163 7.062 1.00 0.00 C ATOM 872 C ILE A 52 -12.805 -16.601 8.457 1.00 0.00 C ATOM 873 O ILE A 52 -13.516 -16.938 9.402 1.00 0.00 O ATOM 874 CB ILE A 52 -12.097 -18.290 6.647 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.691 -19.022 5.427 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.850 -19.283 7.792 1.00 0.00 C ATOM 877 CD1 ILE A 52 -11.683 -19.911 4.693 1.00 0.00 C ATOM 0 H ILE A 52 -12.212 -16.161 5.440 1.00 0.00 H new ATOM 0 HA ILE A 52 -14.060 -17.613 7.073 1.00 0.00 H new ATOM 0 HB ILE A 52 -11.133 -17.848 6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.531 -19.634 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.088 -18.284 4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -11.162 -20.060 7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.418 -18.757 8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.795 -19.738 8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -12.172 -20.394 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.854 -19.301 4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.304 -20.672 5.375 1.00 0.00 H new ATOM 889 N GLN A 53 -11.848 -15.681 8.560 1.00 0.00 N ATOM 890 CA GLN A 53 -11.556 -14.963 9.803 1.00 0.00 C ATOM 891 C GLN A 53 -12.816 -14.391 10.476 1.00 0.00 C ATOM 892 O GLN A 53 -12.833 -14.241 11.695 1.00 0.00 O ATOM 893 CB GLN A 53 -10.557 -13.825 9.541 1.00 0.00 C ATOM 894 CG GLN A 53 -9.128 -14.331 9.313 1.00 0.00 C ATOM 895 CD GLN A 53 -8.290 -13.310 8.546 1.00 0.00 C ATOM 896 OE1 GLN A 53 -8.424 -12.100 8.736 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.452 -13.778 7.630 1.00 0.00 N ATOM 0 H GLN A 53 -11.249 -15.410 7.780 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.124 -15.694 10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.880 -13.257 8.668 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.564 -13.139 10.388 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.658 -14.542 10.273 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.157 -15.270 8.759 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.358 -14.784 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.901 -13.132 7.065 1.00 0.00 H new ATOM 906 N ARG A 54 -13.840 -14.008 9.707 1.00 0.00 N ATOM 907 CA ARG A 54 -15.040 -13.347 10.211 1.00 0.00 C ATOM 908 C ARG A 54 -16.297 -13.883 9.510 1.00 0.00 C ATOM 909 O ARG A 54 -17.281 -13.152 9.348 1.00 0.00 O ATOM 910 CB ARG A 54 -14.848 -11.829 10.037 1.00 0.00 C ATOM 911 CG ARG A 54 -14.271 -11.199 11.310 1.00 0.00 C ATOM 912 CD ARG A 54 -13.695 -9.813 11.009 1.00 0.00 C ATOM 913 NE ARG A 54 -12.373 -9.913 10.372 1.00 0.00 N ATOM 914 CZ ARG A 54 -11.228 -10.113 11.043 1.00 0.00 C ATOM 915 NH1 ARG A 54 -11.215 -10.192 12.373 1.00 0.00 N ATOM 916 NH2 ARG A 54 -10.088 -10.244 10.376 1.00 0.00 N ATOM 0 H ARG A 54 -13.855 -14.153 8.698 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.188 -13.560 11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.180 -11.637 9.197 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.804 -11.363 9.797 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.050 -11.119 12.068 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.492 -11.842 11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.376 -9.267 10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.614 -9.241 11.934 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.323 -9.825 9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.085 -10.100 12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.335 -10.344 12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.084 -10.193 9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.216 -10.396 10.882 1.00 0.00 H new ATOM 930 N GLY A 55 -16.288 -15.161 9.130 1.00 0.00 N ATOM 931 CA GLY A 55 -17.333 -15.794 8.339 1.00 0.00 C ATOM 932 C GLY A 55 -17.514 -15.125 6.972 1.00 0.00 C ATOM 933 O GLY A 55 -16.999 -15.607 5.965 1.00 0.00 O ATOM 0 H GLY A 55 -15.530 -15.799 9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.090 -16.847 8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.274 -15.755 8.887 1.00 0.00 H new ATOM 937 N VAL A 56 -18.255 -14.014 6.949 1.00 0.00 N ATOM 938 CA VAL A 56 -18.721 -13.307 5.760 1.00 0.00 C ATOM 939 C VAL A 56 -19.479 -14.248 4.799 1.00 0.00 C ATOM 940 O VAL A 56 -19.523 -15.462 4.970 1.00 0.00 O ATOM 941 CB VAL A 56 -17.545 -12.490 5.172 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.607 -12.174 3.675 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.400 -11.154 5.911 1.00 0.00 C ATOM 0 H VAL A 56 -18.561 -13.561 7.810 1.00 0.00 H new ATOM 0 HA VAL A 56 -19.486 -12.570 6.004 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.692 -13.154 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.727 -11.599 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.633 -13.104 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.505 -11.594 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.569 -10.591 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.320 -10.578 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -17.208 -11.342 6.968 1.00 0.00 H new ATOM 953 N SER A 57 -20.181 -13.685 3.815 1.00 0.00 N ATOM 954 CA SER A 57 -20.782 -14.488 2.761 1.00 0.00 C ATOM 955 C SER A 57 -19.633 -14.903 1.837 1.00 0.00 C ATOM 956 O SER A 57 -18.972 -14.003 1.326 1.00 0.00 O ATOM 957 CB SER A 57 -21.821 -13.645 2.012 1.00 0.00 C ATOM 958 OG SER A 57 -23.124 -14.154 2.222 1.00 0.00 O ATOM 0 H SER A 57 -20.344 -12.682 3.730 1.00 0.00 H new ATOM 0 HA SER A 57 -21.296 -15.367 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.770 -12.611 2.352 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.594 -13.642 0.946 1.00 0.00 H new ATOM 0 HG SER A 57 -23.773 -13.602 1.738 1.00 0.00 H new ATOM 964 N PRO A 58 -19.364 -16.196 1.602 1.00 0.00 N ATOM 965 CA PRO A 58 -18.197 -16.620 0.838 1.00 0.00 C ATOM 966 C PRO A 58 -18.212 -16.054 -0.585 1.00 0.00 C ATOM 967 O PRO A 58 -17.183 -15.646 -1.118 1.00 0.00 O ATOM 968 CB PRO A 58 -18.215 -18.152 0.870 1.00 0.00 C ATOM 969 CG PRO A 58 -19.671 -18.504 1.175 1.00 0.00 C ATOM 970 CD PRO A 58 -20.142 -17.339 2.047 1.00 0.00 C ATOM 0 HA PRO A 58 -17.272 -16.238 1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.894 -18.574 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.543 -18.542 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.263 -18.589 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.753 -19.457 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -21.210 -17.161 1.924 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -19.973 -17.544 3.104 1.00 0.00 H new ATOM 978 N SER A 59 -19.394 -15.972 -1.191 1.00 0.00 N ATOM 979 CA SER A 59 -19.621 -15.352 -2.489 1.00 0.00 C ATOM 980 C SER A 59 -19.263 -13.857 -2.511 1.00 0.00 C ATOM 981 O SER A 59 -19.216 -13.246 -3.577 1.00 0.00 O ATOM 982 CB SER A 59 -21.096 -15.573 -2.842 1.00 0.00 C ATOM 983 OG SER A 59 -21.880 -15.527 -1.655 1.00 0.00 O ATOM 0 H SER A 59 -20.247 -16.348 -0.776 1.00 0.00 H new ATOM 0 HA SER A 59 -18.965 -15.812 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.432 -14.808 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 59 -21.222 -16.536 -3.337 1.00 0.00 H new ATOM 0 HG SER A 59 -22.823 -15.667 -1.880 1.00 0.00 H new ATOM 989 N GLN A 60 -19.053 -13.255 -1.342 1.00 0.00 N ATOM 990 CA GLN A 60 -18.585 -11.898 -1.153 1.00 0.00 C ATOM 991 C GLN A 60 -17.380 -11.932 -0.208 1.00 0.00 C ATOM 992 O GLN A 60 -17.276 -11.097 0.692 1.00 0.00 O ATOM 993 CB GLN A 60 -19.734 -11.047 -0.587 1.00 0.00 C ATOM 994 CG GLN A 60 -20.828 -10.783 -1.626 1.00 0.00 C ATOM 995 CD GLN A 60 -20.345 -9.841 -2.723 1.00 0.00 C ATOM 996 OE1 GLN A 60 -20.154 -10.245 -3.865 1.00 0.00 O ATOM 997 NE2 GLN A 60 -20.146 -8.569 -2.393 1.00 0.00 N ATOM 0 H GLN A 60 -19.216 -13.734 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.272 -11.450 -2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.169 -11.554 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -19.338 -10.096 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.145 -11.727 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.701 -10.353 -1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -20.312 -8.258 -1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -19.827 -7.903 -3.097 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.442 -12.861 -0.412 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.179 -12.831 0.318 1.00 0.00 C ATOM 1008 C ALA A 61 -14.377 -11.587 -0.022 1.00 0.00 C ATOM 1009 O ALA A 61 -13.513 -11.192 0.751 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.322 -14.066 0.050 1.00 0.00 C ATOM 0 H ALA A 61 -16.535 -13.634 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.442 -12.819 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.394 -13.995 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.866 -14.960 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.094 -14.127 -1.014 1.00 0.00 H new ATOM 1016 N GLN A 62 -14.659 -10.946 -1.154 1.00 0.00 N ATOM 1017 CA GLN A 62 -14.082 -9.647 -1.457 1.00 0.00 C ATOM 1018 C GLN A 62 -14.955 -8.503 -0.923 1.00 0.00 C ATOM 1019 O GLN A 62 -14.751 -7.349 -1.281 1.00 0.00 O ATOM 1020 CB GLN A 62 -13.724 -9.559 -2.953 1.00 0.00 C ATOM 1021 CG GLN A 62 -14.697 -8.873 -3.916 1.00 0.00 C ATOM 1022 CD GLN A 62 -16.156 -9.141 -3.593 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -16.624 -10.271 -3.666 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -16.875 -8.105 -3.187 1.00 0.00 N ATOM 0 H GLN A 62 -15.284 -11.308 -1.874 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.139 -9.529 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.767 -9.043 -3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.568 -10.576 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.520 -7.798 -3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.490 -9.210 -4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.452 -7.178 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -17.852 -8.234 -2.923 1.00 0.00 H new ATOM 1033 N GLY A 63 -15.963 -8.797 -0.102 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.014 -7.860 0.265 1.00 0.00 C ATOM 1035 C GLY A 63 -16.943 -7.446 1.723 1.00 0.00 C ATOM 1036 O GLY A 63 -17.950 -7.028 2.300 1.00 0.00 O ATOM 0 H GLY A 63 -16.070 -9.713 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.941 -6.973 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -17.985 -8.313 0.067 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.761 -7.547 2.324 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.539 -7.151 3.701 1.00 0.00 C ATOM 1042 C LEU A 64 -15.642 -5.633 3.793 1.00 0.00 C ATOM 1043 O LEU A 64 -16.202 -5.080 4.738 1.00 0.00 O ATOM 1044 CB LEU A 64 -14.156 -7.608 4.175 1.00 0.00 C ATOM 1045 CG LEU A 64 -14.062 -9.117 4.423 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -14.238 -9.935 3.150 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -12.678 -9.435 4.968 1.00 0.00 C ATOM 0 H LEU A 64 -14.927 -7.909 1.861 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.289 -7.618 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.413 -7.323 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.903 -7.080 5.095 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.860 -9.377 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.162 -10.996 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.217 -9.729 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.461 -9.666 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.596 -10.507 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.923 -9.131 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.522 -8.896 5.902 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.025 -4.949 2.832 1.00 0.00 N ATOM 1060 CA GLY A 65 -14.801 -3.519 2.903 1.00 0.00 C ATOM 1061 C GLY A 65 -13.724 -3.203 3.947 1.00 0.00 C ATOM 1062 O GLY A 65 -12.618 -2.811 3.582 1.00 0.00 O ATOM 0 H GLY A 65 -14.667 -5.380 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.493 -3.143 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.730 -3.011 3.162 1.00 0.00 H new ATOM 1066 N SER A 66 -14.044 -3.398 5.230 1.00 0.00 N ATOM 1067 CA SER A 66 -13.272 -2.995 6.398 1.00 0.00 C ATOM 1068 C SER A 66 -11.810 -3.400 6.245 1.00 0.00 C ATOM 1069 O SER A 66 -10.927 -2.551 6.108 1.00 0.00 O ATOM 1070 CB SER A 66 -13.937 -3.593 7.655 1.00 0.00 C ATOM 1071 OG SER A 66 -13.245 -3.297 8.860 1.00 0.00 O ATOM 0 H SER A 66 -14.908 -3.874 5.492 1.00 0.00 H new ATOM 0 HA SER A 66 -13.270 -1.910 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.957 -3.217 7.730 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.004 -4.675 7.541 1.00 0.00 H new ATOM 0 HG SER A 66 -13.718 -3.702 9.617 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.569 -4.705 6.278 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.236 -5.286 6.214 1.00 0.00 C ATOM 1079 C ASN A 67 -9.763 -5.398 4.769 1.00 0.00 C ATOM 1080 O ASN A 67 -8.565 -5.374 4.506 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.282 -6.676 6.849 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.409 -6.591 8.357 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -9.405 -6.509 9.063 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -11.633 -6.549 8.873 1.00 0.00 N ATOM 0 H ASN A 67 -12.310 -5.402 6.351 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.537 -4.645 6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.124 -7.236 6.442 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.378 -7.227 6.589 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.759 -6.446 9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.447 -6.619 8.262 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.730 -5.522 3.856 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.576 -6.037 2.509 1.00 0.00 C ATOM 1093 C LEU A 68 -9.244 -5.723 1.839 1.00 0.00 C ATOM 1094 O LEU A 68 -8.923 -4.571 1.539 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.710 -5.508 1.636 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.681 -6.054 0.205 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -11.869 -7.573 0.169 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.756 -5.345 -0.618 1.00 0.00 C ATOM 0 H LEU A 68 -11.692 -5.248 4.056 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.606 -7.122 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.664 -5.766 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.656 -4.420 1.603 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.700 -5.855 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.842 -7.919 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.069 -8.052 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.830 -7.831 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.744 -5.727 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.734 -5.529 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.558 -4.273 -0.629 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.548 -6.786 1.475 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.464 -6.747 0.519 1.00 0.00 C ATOM 1112 C VAL A 69 -8.077 -6.575 -0.870 1.00 0.00 C ATOM 1113 O VAL A 69 -8.941 -7.354 -1.261 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.655 -8.042 0.641 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.558 -8.119 -0.425 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -6.047 -8.096 2.047 1.00 0.00 C ATOM 0 H VAL A 69 -8.728 -7.719 1.846 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.783 -5.916 0.703 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.313 -8.897 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.003 -9.050 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.011 -8.087 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.878 -7.275 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.465 -9.011 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.398 -7.233 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.845 -8.082 2.789 1.00 0.00 H new ATOM 1126 N THR A 70 -7.646 -5.551 -1.601 1.00 0.00 N ATOM 1127 CA THR A 70 -7.980 -5.306 -2.996 1.00 0.00 C ATOM 1128 C THR A 70 -6.661 -5.281 -3.778 1.00 0.00 C ATOM 1129 O THR A 70 -5.623 -5.011 -3.167 1.00 0.00 O ATOM 1130 CB THR A 70 -8.711 -3.957 -3.073 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.943 -2.934 -2.461 1.00 0.00 O ATOM 1132 CG2 THR A 70 -10.016 -3.994 -2.286 1.00 0.00 C ATOM 0 H THR A 70 -7.026 -4.838 -1.217 1.00 0.00 H new ATOM 0 HA THR A 70 -8.629 -6.074 -3.417 1.00 0.00 H new ATOM 0 HB THR A 70 -8.882 -3.765 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.425 -2.083 -2.522 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.512 -3.026 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.666 -4.766 -2.696 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.804 -4.216 -1.240 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.669 -5.497 -5.097 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.448 -5.598 -5.897 1.00 0.00 C ATOM 1142 C GLU A 71 -4.438 -4.500 -5.585 1.00 0.00 C ATOM 1143 O GLU A 71 -3.260 -4.777 -5.402 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.754 -5.640 -7.398 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.902 -4.707 -7.818 1.00 0.00 C ATOM 1146 CD GLU A 71 -6.816 -4.264 -9.265 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -5.759 -4.467 -9.897 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -7.812 -3.710 -9.767 1.00 0.00 O ATOM 0 H GLU A 71 -7.526 -5.607 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.987 -6.544 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.855 -5.368 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.006 -6.662 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.852 -5.216 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.899 -3.827 -7.175 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.871 -3.246 -5.506 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.940 -2.147 -5.315 1.00 0.00 C ATOM 1157 C VAL A 72 -3.145 -2.281 -4.003 1.00 0.00 C ATOM 1158 O VAL A 72 -2.018 -1.795 -3.907 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.679 -0.812 -5.465 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.533 -0.470 -4.240 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.680 0.301 -5.793 1.00 0.00 C ATOM 0 H VAL A 72 -5.851 -2.970 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.180 -2.181 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.380 -0.908 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.034 0.485 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.279 -1.250 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.895 -0.401 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.211 1.247 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.949 0.383 -4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.168 0.067 -6.726 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.717 -2.933 -2.986 1.00 0.00 N ATOM 1172 CA ARG A 73 -3.022 -3.226 -1.740 1.00 0.00 C ATOM 1173 C ARG A 73 -1.849 -4.154 -2.041 1.00 0.00 C ATOM 1174 O ARG A 73 -0.702 -3.828 -1.732 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.972 -3.882 -0.726 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.247 -3.074 -0.434 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.996 -1.852 0.449 1.00 0.00 C ATOM 1178 NE ARG A 73 -4.540 -0.665 -0.300 1.00 0.00 N ATOM 1179 CZ ARG A 73 -3.541 0.146 0.085 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -2.908 -0.092 1.236 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -3.191 1.178 -0.682 1.00 0.00 N ATOM 0 H ARG A 73 -4.679 -3.271 -3.009 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.658 -2.297 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.257 -4.866 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.434 -4.039 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.687 -2.749 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.977 -3.722 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.914 -1.604 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.249 -2.105 1.202 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.018 -0.444 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.184 -0.885 1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.148 0.519 1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.681 1.351 -1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.433 1.795 -0.392 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.142 -5.281 -2.695 1.00 0.00 N ATOM 1196 CA VAL A 74 -1.138 -6.251 -3.109 1.00 0.00 C ATOM 1197 C VAL A 74 -0.078 -5.509 -3.922 1.00 0.00 C ATOM 1198 O VAL A 74 1.120 -5.662 -3.711 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.797 -7.369 -3.947 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.742 -8.294 -4.555 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.767 -8.222 -3.121 1.00 0.00 C ATOM 0 H VAL A 74 -3.093 -5.544 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.674 -6.721 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.355 -6.864 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.233 -9.072 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.081 -7.717 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.158 -8.754 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.204 -8.993 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.228 -8.691 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.559 -7.589 -2.722 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.521 -4.673 -4.851 1.00 0.00 N ATOM 1212 CA TYR A 75 0.365 -3.953 -5.732 1.00 0.00 C ATOM 1213 C TYR A 75 1.320 -3.064 -4.950 1.00 0.00 C ATOM 1214 O TYR A 75 2.515 -3.032 -5.226 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.449 -3.138 -6.738 1.00 0.00 C ATOM 1216 CG TYR A 75 0.197 -3.211 -8.089 1.00 0.00 C ATOM 1217 CD1 TYR A 75 0.080 -4.421 -8.788 1.00 0.00 C ATOM 1218 CD2 TYR A 75 1.158 -2.258 -8.473 1.00 0.00 C ATOM 1219 CE1 TYR A 75 0.926 -4.680 -9.867 1.00 0.00 C ATOM 1220 CE2 TYR A 75 1.921 -2.473 -9.630 1.00 0.00 C ATOM 1221 CZ TYR A 75 1.781 -3.676 -10.337 1.00 0.00 C ATOM 1222 OH TYR A 75 2.387 -3.846 -11.546 1.00 0.00 O ATOM 0 H TYR A 75 -1.510 -4.480 -5.009 1.00 0.00 H new ATOM 0 HA TYR A 75 0.971 -4.675 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.468 -3.521 -6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.515 -2.100 -6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.661 -5.149 -8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.307 -1.367 -7.881 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.921 -5.652 -10.338 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.612 -1.717 -9.974 1.00 0.00 H new ATOM 0 HH TYR A 75 2.950 -3.068 -11.742 1.00 0.00 H new ATOM 1232 N ASN A 76 0.783 -2.320 -3.985 1.00 0.00 N ATOM 1233 CA ASN A 76 1.595 -1.419 -3.185 1.00 0.00 C ATOM 1234 C ASN A 76 2.675 -2.226 -2.471 1.00 0.00 C ATOM 1235 O ASN A 76 3.853 -1.875 -2.515 1.00 0.00 O ATOM 1236 CB ASN A 76 0.749 -0.668 -2.139 1.00 0.00 C ATOM 1237 CG ASN A 76 0.226 0.679 -2.619 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.586 1.728 -2.089 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.666 0.689 -3.597 1.00 0.00 N ATOM 0 H ASN A 76 -0.208 -2.326 -3.742 1.00 0.00 H new ATOM 0 HA ASN A 76 2.042 -0.680 -3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.096 -1.294 -1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.350 -0.515 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.061 1.573 -3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.958 -0.187 -4.030 1.00 0.00 H new ATOM 1246 N TRP A 77 2.268 -3.305 -1.799 1.00 0.00 N ATOM 1247 CA TRP A 77 3.194 -4.147 -1.054 1.00 0.00 C ATOM 1248 C TRP A 77 4.264 -4.688 -2.004 1.00 0.00 C ATOM 1249 O TRP A 77 5.448 -4.470 -1.774 1.00 0.00 O ATOM 1250 CB TRP A 77 2.447 -5.239 -0.266 1.00 0.00 C ATOM 1251 CG TRP A 77 2.883 -6.653 -0.501 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.342 -7.490 -1.409 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.901 -7.441 0.187 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.028 -8.678 -1.419 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.954 -8.731 -0.413 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.740 -7.229 1.297 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.780 -9.756 0.055 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.469 -8.292 1.855 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.521 -9.547 1.224 1.00 0.00 C ATOM 0 H TRP A 77 1.297 -3.614 -1.758 1.00 0.00 H new ATOM 0 HA TRP A 77 3.708 -3.556 -0.296 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.551 -5.023 0.797 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.386 -5.166 -0.504 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.494 -7.259 -2.036 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.868 -9.428 -2.092 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.824 -6.240 1.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.846 -10.694 -0.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.998 -8.143 2.784 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.126 -10.341 1.636 1.00 0.00 H new ATOM 1270 N PHE A 78 3.881 -5.326 -3.107 1.00 0.00 N ATOM 1271 CA PHE A 78 4.829 -5.884 -4.067 1.00 0.00 C ATOM 1272 C PHE A 78 5.576 -4.815 -4.868 1.00 0.00 C ATOM 1273 O PHE A 78 6.312 -5.151 -5.795 1.00 0.00 O ATOM 1274 CB PHE A 78 4.146 -6.888 -4.998 1.00 0.00 C ATOM 1275 CG PHE A 78 4.154 -8.320 -4.496 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.373 -9.021 -4.435 1.00 0.00 C ATOM 1277 CD2 PHE A 78 2.944 -9.032 -4.408 1.00 0.00 C ATOM 1278 CE1 PHE A 78 5.377 -10.416 -4.271 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.953 -10.419 -4.192 1.00 0.00 C ATOM 1280 CZ PHE A 78 4.172 -11.108 -4.084 1.00 0.00 C ATOM 0 H PHE A 78 2.904 -5.471 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 78 5.582 -6.410 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.113 -6.576 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.637 -6.855 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.307 -8.485 -4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.004 -8.509 -4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.311 -10.957 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.020 -10.957 -4.109 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.181 -12.164 -3.858 1.00 0.00 H new ATOM 1290 N ALA A 79 5.407 -3.534 -4.559 1.00 0.00 N ATOM 1291 CA ALA A 79 6.354 -2.516 -4.959 1.00 0.00 C ATOM 1292 C ALA A 79 7.304 -2.290 -3.784 1.00 0.00 C ATOM 1293 O ALA A 79 8.497 -2.568 -3.878 1.00 0.00 O ATOM 1294 CB ALA A 79 5.586 -1.257 -5.356 1.00 0.00 C ATOM 0 H ALA A 79 4.612 -3.180 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 79 6.945 -2.812 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.290 -0.482 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.917 -1.485 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.002 -0.904 -4.506 1.00 0.00 H new ATOM 1300 N ASN A 80 6.781 -1.830 -2.648 1.00 0.00 N ATOM 1301 CA ASN A 80 7.630 -1.409 -1.539 1.00 0.00 C ATOM 1302 C ASN A 80 8.498 -2.542 -1.002 1.00 0.00 C ATOM 1303 O ASN A 80 9.691 -2.367 -0.765 1.00 0.00 O ATOM 1304 CB ASN A 80 6.796 -0.823 -0.402 1.00 0.00 C ATOM 1305 CG ASN A 80 7.711 -0.474 0.769 1.00 0.00 C ATOM 1306 OD1 ASN A 80 8.669 0.278 0.608 1.00 0.00 O ATOM 1307 ND2 ASN A 80 7.445 -1.015 1.949 1.00 0.00 N ATOM 0 H ASN A 80 5.780 -1.740 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 80 8.293 -0.641 -1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.269 0.068 -0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.038 -1.540 -0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.042 -0.810 2.750 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.643 -1.636 2.056 1.00 0.00 H new ATOM 1314 N ARG A 81 7.905 -3.715 -0.815 1.00 0.00 N ATOM 1315 CA ARG A 81 8.594 -4.901 -0.338 1.00 0.00 C ATOM 1316 C ARG A 81 9.812 -5.210 -1.208 1.00 0.00 C ATOM 1317 O ARG A 81 10.822 -5.688 -0.697 1.00 0.00 O ATOM 1318 CB ARG A 81 7.619 -6.086 -0.264 1.00 0.00 C ATOM 1319 CG ARG A 81 8.279 -7.411 0.142 1.00 0.00 C ATOM 1320 CD ARG A 81 8.863 -7.421 1.561 1.00 0.00 C ATOM 1321 NE ARG A 81 10.097 -8.217 1.638 1.00 0.00 N ATOM 1322 CZ ARG A 81 10.155 -9.551 1.745 1.00 0.00 C ATOM 1323 NH1 ARG A 81 9.034 -10.272 1.722 1.00 0.00 N ATOM 1324 NH2 ARG A 81 11.334 -10.152 1.869 1.00 0.00 N ATOM 0 H ARG A 81 6.913 -3.868 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 81 8.964 -4.715 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.830 -5.851 0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.142 -6.212 -1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.542 -8.210 0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.075 -7.638 -0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.070 -6.398 1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.126 -7.825 2.255 1.00 0.00 H new ATOM 0 HE ARG A 81 10.982 -7.711 1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.131 -9.808 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.079 -11.288 1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.190 -9.598 1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.383 -11.168 1.951 1.00 0.00 H new ATOM 1338 N ARG A 82 9.752 -4.915 -2.509 1.00 0.00 N ATOM 1339 CA ARG A 82 10.923 -5.082 -3.352 1.00 0.00 C ATOM 1340 C ARG A 82 12.055 -4.247 -2.797 1.00 0.00 C ATOM 1341 O ARG A 82 13.172 -4.725 -2.664 1.00 0.00 O ATOM 1342 CB ARG A 82 10.677 -4.626 -4.786 1.00 0.00 C ATOM 1343 CG ARG A 82 9.451 -5.305 -5.372 1.00 0.00 C ATOM 1344 CD ARG A 82 9.380 -4.956 -6.858 1.00 0.00 C ATOM 1345 NE ARG A 82 8.845 -6.078 -7.636 1.00 0.00 N ATOM 1346 CZ ARG A 82 7.953 -5.949 -8.619 1.00 0.00 C ATOM 1347 NH1 ARG A 82 6.934 -5.113 -8.451 1.00 0.00 N ATOM 1348 NH2 ARG A 82 8.107 -6.641 -9.744 1.00 0.00 N ATOM 0 H ARG A 82 8.921 -4.567 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 82 11.164 -6.145 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.544 -3.544 -4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.550 -4.853 -5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.513 -6.385 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.549 -4.971 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.750 -4.078 -6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.374 -4.697 -7.222 1.00 0.00 H new ATOM 0 HE ARG A 82 9.176 -7.016 -7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.845 -4.585 -7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.240 -4.999 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.905 -7.267 -9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.427 -6.546 -10.499 1.00 0.00 H new