USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 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 51 SER OG : rot 180:sc= -0.379 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.0672 USER MOD Set 2.1: A 35 SER OG : rot -73:sc= 0.985 USER MOD Set 2.2: A 66 ASN : amide:sc= 1.28 K(o=2.3,f=0.62) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.966 K(o=0.97,f=-0.19) USER MOD Single : A 32 ASN : amide:sc= -1.74! K(o=-1.7!,f=-2.6) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -148:sc= -0.126 (180deg=-1.12) USER MOD Single : A 39 SER OG : rot 160:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.256 K(o=0.26,f=-2.2) USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= 1.17 (180deg=0.323) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -160:sc= -0.0705 USER MOD Single : A 64 GLN : amide:sc= 0.858 K(o=0.86,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 81 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.49) USER MOD Single : A 84 GLN : amide:sc= -0.0175 K(o=-0.018,f=-2.4) USER MOD Single : A 87 GLN : amide:sc= -0.905 K(o=-0.9,f=-2.1) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.95) USER MOD Single : A 99 THR OG1 : rot 180:sc=1.34e-05 USER MOD Single : A 101 ASN : amide:sc= 0.486 K(o=0.49,f=-4.2!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -4.079 9.633 4.644 1.00 13.30 N ATOM 281 CA ASP A 24 -3.410 8.779 5.630 1.00 34.31 C ATOM 282 C ASP A 24 -2.999 7.473 4.965 1.00 1.10 C ATOM 283 O ASP A 24 -3.820 6.590 4.727 1.00 54.24 O ATOM 284 CB ASP A 24 -4.249 8.551 6.889 1.00 13.10 C ATOM 285 CG ASP A 24 -4.187 9.758 7.829 1.00 64.23 C ATOM 286 OD1 ASP A 24 -4.941 10.734 7.631 1.00 73.12 O ATOM 287 OD2 ASP A 24 -3.303 9.786 8.712 1.00 20.34 O ATOM 0 HA ASP A 24 -2.516 9.296 5.979 1.00 34.31 H new ATOM 0 HB2 ASP A 24 -5.285 8.360 6.608 1.00 13.10 H new ATOM 0 HB3 ASP A 24 -3.891 7.663 7.410 1.00 13.10 H new ATOM 291 N THR A 25 -1.729 7.386 4.594 1.00 44.22 N ATOM 292 CA THR A 25 -1.159 6.363 3.732 1.00 24.10 C ATOM 293 C THR A 25 0.035 5.802 4.511 1.00 72.13 C ATOM 294 O THR A 25 0.893 6.564 4.965 1.00 52.34 O ATOM 295 CB THR A 25 -0.766 7.030 2.399 1.00 42.05 C ATOM 296 OG1 THR A 25 -1.893 7.674 1.825 1.00 43.12 O ATOM 297 CG2 THR A 25 -0.222 6.069 1.343 1.00 2.14 C ATOM 0 H THR A 25 -1.033 8.064 4.904 1.00 44.22 H new ATOM 0 HA THR A 25 -1.839 5.548 3.482 1.00 24.10 H new ATOM 0 HB THR A 25 0.029 7.727 2.664 1.00 42.05 H new ATOM 0 HG1 THR A 25 -1.633 8.096 0.980 1.00 43.12 H new ATOM 0 HG21 THR A 25 0.028 6.625 0.439 1.00 2.14 H new ATOM 0 HG22 THR A 25 0.672 5.577 1.725 1.00 2.14 H new ATOM 0 HG23 THR A 25 -0.978 5.319 1.110 1.00 2.14 H new ATOM 305 N ILE A 26 0.065 4.494 4.738 1.00 35.10 N ATOM 306 CA ILE A 26 1.209 3.817 5.331 1.00 35.25 C ATOM 307 C ILE A 26 2.302 3.766 4.252 1.00 0.31 C ATOM 308 O ILE A 26 2.029 3.804 3.047 1.00 73.51 O ATOM 309 CB ILE A 26 0.778 2.430 5.874 1.00 11.03 C ATOM 310 CG1 ILE A 26 -0.477 2.496 6.781 1.00 34.24 C ATOM 311 CG2 ILE A 26 1.895 1.681 6.619 1.00 4.44 C ATOM 312 CD1 ILE A 26 -0.391 3.471 7.961 1.00 62.22 C ATOM 0 H ILE A 26 -0.710 3.870 4.514 1.00 35.10 H new ATOM 0 HA ILE A 26 1.611 4.344 6.196 1.00 35.25 H new ATOM 0 HB ILE A 26 0.534 1.867 4.973 1.00 11.03 H new ATOM 0 HG12 ILE A 26 -1.333 2.773 6.166 1.00 34.24 H new ATOM 0 HG13 ILE A 26 -0.674 1.498 7.171 1.00 34.24 H new ATOM 0 HG21 ILE A 26 1.518 0.720 6.969 1.00 4.44 H new ATOM 0 HG22 ILE A 26 2.736 1.517 5.945 1.00 4.44 H new ATOM 0 HG23 ILE A 26 2.224 2.274 7.472 1.00 4.44 H new ATOM 0 HD11 ILE A 26 -1.321 3.438 8.529 1.00 62.22 H new ATOM 0 HD12 ILE A 26 0.439 3.187 8.608 1.00 62.22 H new ATOM 0 HD13 ILE A 26 -0.230 4.482 7.587 1.00 62.22 H new ATOM 323 N ILE A 27 3.550 3.677 4.690 1.00 62.52 N ATOM 324 CA ILE A 27 4.736 3.608 3.846 1.00 51.53 C ATOM 325 C ILE A 27 5.590 2.469 4.387 1.00 34.21 C ATOM 326 O ILE A 27 5.675 2.257 5.601 1.00 4.42 O ATOM 327 CB ILE A 27 5.461 4.979 3.804 1.00 75.35 C ATOM 328 CG1 ILE A 27 6.481 5.135 2.652 1.00 3.35 C ATOM 329 CG2 ILE A 27 6.191 5.331 5.101 1.00 20.25 C ATOM 330 CD1 ILE A 27 5.807 5.676 1.397 1.00 13.33 C ATOM 0 H ILE A 27 3.774 3.650 5.685 1.00 62.52 H new ATOM 0 HA ILE A 27 4.490 3.398 2.805 1.00 51.53 H new ATOM 0 HB ILE A 27 4.630 5.665 3.642 1.00 75.35 H new ATOM 0 HG12 ILE A 27 7.281 5.808 2.959 1.00 3.35 H new ATOM 0 HG13 ILE A 27 6.941 4.171 2.435 1.00 3.35 H new ATOM 0 HG21 ILE A 27 6.673 6.303 4.995 1.00 20.25 H new ATOM 0 HG22 ILE A 27 5.476 5.369 5.922 1.00 20.25 H new ATOM 0 HG23 ILE A 27 6.945 4.573 5.311 1.00 20.25 H new ATOM 0 HD11 ILE A 27 6.546 5.777 0.602 1.00 13.33 H new ATOM 0 HD12 ILE A 27 5.023 4.988 1.080 1.00 13.33 H new ATOM 0 HD13 ILE A 27 5.369 6.651 1.611 1.00 13.33 H new ATOM 341 N LEU A 28 6.218 1.732 3.482 1.00 62.12 N ATOM 342 CA LEU A 28 7.116 0.645 3.821 1.00 32.40 C ATOM 343 C LEU A 28 8.552 1.145 3.661 1.00 24.52 C ATOM 344 O LEU A 28 8.809 2.012 2.826 1.00 4.30 O ATOM 345 CB LEU A 28 6.842 -0.568 2.916 1.00 22.10 C ATOM 346 CG LEU A 28 5.481 -1.284 3.053 1.00 40.53 C ATOM 347 CD1 LEU A 28 5.024 -1.539 4.493 1.00 24.33 C ATOM 348 CD2 LEU A 28 4.350 -0.558 2.321 1.00 23.22 C ATOM 0 H LEU A 28 6.114 1.877 2.478 1.00 62.12 H new ATOM 0 HA LEU A 28 6.958 0.325 4.851 1.00 32.40 H new ATOM 0 HB2 LEU A 28 6.945 -0.242 1.881 1.00 22.10 H new ATOM 0 HB3 LEU A 28 7.626 -1.304 3.098 1.00 22.10 H new ATOM 0 HG LEU A 28 5.676 -2.250 2.586 1.00 40.53 H new ATOM 0 HD11 LEU A 28 4.059 -2.046 4.484 1.00 24.33 H new ATOM 0 HD12 LEU A 28 5.757 -2.164 5.002 1.00 24.33 H new ATOM 0 HD13 LEU A 28 4.930 -0.589 5.019 1.00 24.33 H new ATOM 0 HD21 LEU A 28 3.419 -1.108 2.453 1.00 23.22 H new ATOM 0 HD22 LEU A 28 4.239 0.447 2.729 1.00 23.22 H new ATOM 0 HD23 LEU A 28 4.586 -0.494 1.259 1.00 23.22 H new ATOM 359 N ARG A 29 9.494 0.582 4.417 1.00 12.41 N ATOM 360 CA ARG A 29 10.939 0.812 4.400 1.00 1.35 C ATOM 361 C ARG A 29 11.638 -0.548 4.537 1.00 72.34 C ATOM 362 O ARG A 29 10.979 -1.580 4.680 1.00 61.24 O ATOM 363 CB ARG A 29 11.352 1.757 5.548 1.00 53.51 C ATOM 364 CG ARG A 29 10.756 3.157 5.399 1.00 12.13 C ATOM 365 CD ARG A 29 11.124 4.081 6.564 1.00 22.21 C ATOM 366 NE ARG A 29 10.815 5.476 6.223 1.00 54.22 N ATOM 367 CZ ARG A 29 11.020 6.559 6.977 1.00 63.41 C ATOM 368 NH1 ARG A 29 11.449 6.460 8.229 1.00 5.04 N ATOM 369 NH2 ARG A 29 10.799 7.748 6.439 1.00 14.34 N ATOM 0 H ARG A 29 9.242 -0.111 5.122 1.00 12.41 H new ATOM 0 HA ARG A 29 11.232 1.289 3.465 1.00 1.35 H new ATOM 0 HB2 ARG A 29 11.033 1.329 6.498 1.00 53.51 H new ATOM 0 HB3 ARG A 29 12.439 1.830 5.580 1.00 53.51 H new ATOM 0 HG2 ARG A 29 11.105 3.599 4.466 1.00 12.13 H new ATOM 0 HG3 ARG A 29 9.671 3.080 5.330 1.00 12.13 H new ATOM 0 HD2 ARG A 29 10.574 3.787 7.458 1.00 22.21 H new ATOM 0 HD3 ARG A 29 12.185 3.982 6.795 1.00 22.21 H new ATOM 0 HE ARG A 29 10.396 5.636 5.307 1.00 54.22 H new ATOM 0 HH11 ARG A 29 11.630 5.542 8.635 1.00 5.04 H new ATOM 0 HH12 ARG A 29 11.598 7.302 8.785 1.00 5.04 H new ATOM 0 HH21 ARG A 29 10.481 7.819 5.473 1.00 14.34 H new ATOM 0 HH22 ARG A 29 10.947 8.593 6.991 1.00 14.34 H new ATOM 380 N ASN A 30 12.975 -0.554 4.505 1.00 0.30 N ATOM 381 CA ASN A 30 13.872 -1.714 4.627 1.00 35.34 C ATOM 382 C ASN A 30 13.889 -2.602 3.380 1.00 12.11 C ATOM 383 O ASN A 30 14.652 -3.563 3.316 1.00 71.22 O ATOM 384 CB ASN A 30 13.553 -2.559 5.874 1.00 55.34 C ATOM 385 CG ASN A 30 14.701 -3.493 6.243 1.00 24.44 C ATOM 386 OD1 ASN A 30 15.776 -3.040 6.618 1.00 4.04 O ATOM 387 ND2 ASN A 30 14.493 -4.797 6.185 1.00 31.20 N ATOM 0 H ASN A 30 13.499 0.313 4.385 1.00 0.30 H new ATOM 0 HA ASN A 30 14.871 -1.292 4.736 1.00 35.34 H new ATOM 0 HB2 ASN A 30 13.339 -1.898 6.714 1.00 55.34 H new ATOM 0 HB3 ASN A 30 12.653 -3.146 5.693 1.00 55.34 H new ATOM 0 HD21 ASN A 30 15.234 -5.444 6.455 1.00 31.20 H new ATOM 0 HD22 ASN A 30 13.592 -5.156 5.870 1.00 31.20 H new ATOM 393 N LEU A 31 13.062 -2.309 2.379 1.00 15.43 N ATOM 394 CA LEU A 31 12.810 -3.214 1.267 1.00 11.24 C ATOM 395 C LEU A 31 14.026 -3.258 0.337 1.00 1.43 C ATOM 396 O LEU A 31 14.898 -2.388 0.423 1.00 43.15 O ATOM 397 CB LEU A 31 11.569 -2.738 0.503 1.00 63.41 C ATOM 398 CG LEU A 31 10.321 -2.416 1.335 1.00 73.14 C ATOM 399 CD1 LEU A 31 9.141 -2.163 0.399 1.00 4.23 C ATOM 400 CD2 LEU A 31 9.933 -3.548 2.270 1.00 32.32 C ATOM 0 H LEU A 31 12.546 -1.431 2.319 1.00 15.43 H new ATOM 0 HA LEU A 31 12.634 -4.220 1.648 1.00 11.24 H new ATOM 0 HB2 LEU A 31 11.840 -1.845 -0.061 1.00 63.41 H new ATOM 0 HB3 LEU A 31 11.303 -3.506 -0.224 1.00 63.41 H new ATOM 0 HG LEU A 31 10.560 -1.538 1.935 1.00 73.14 H new ATOM 0 HD11 LEU A 31 8.252 -1.934 0.987 1.00 4.23 H new ATOM 0 HD12 LEU A 31 9.370 -1.322 -0.256 1.00 4.23 H new ATOM 0 HD13 LEU A 31 8.958 -3.052 -0.204 1.00 4.23 H new ATOM 0 HD21 LEU A 31 9.044 -3.266 2.834 1.00 32.32 H new ATOM 0 HD22 LEU A 31 9.724 -4.445 1.688 1.00 32.32 H new ATOM 0 HD23 LEU A 31 10.753 -3.747 2.961 1.00 32.32 H new ATOM 411 N ASN A 32 14.093 -4.231 -0.579 1.00 60.11 N ATOM 412 CA ASN A 32 15.251 -4.341 -1.497 1.00 51.44 C ATOM 413 C ASN A 32 14.887 -4.052 -2.956 1.00 44.23 C ATOM 414 O ASN A 32 13.702 -4.027 -3.283 1.00 13.11 O ATOM 415 CB ASN A 32 15.956 -5.685 -1.312 1.00 1.41 C ATOM 416 CG ASN A 32 15.404 -6.846 -2.113 1.00 41.31 C ATOM 417 OD1 ASN A 32 14.203 -7.029 -2.200 1.00 73.45 O ATOM 418 ND2 ASN A 32 16.259 -7.647 -2.715 1.00 2.10 N ATOM 0 H ASN A 32 13.377 -4.946 -0.710 1.00 60.11 H new ATOM 0 HA ASN A 32 15.960 -3.558 -1.227 1.00 51.44 H new ATOM 0 HB2 ASN A 32 17.007 -5.559 -1.571 1.00 1.41 H new ATOM 0 HB3 ASN A 32 15.918 -5.949 -0.255 1.00 1.41 H new ATOM 0 HD21 ASN A 32 15.919 -8.436 -3.265 1.00 2.10 H new ATOM 0 HD22 ASN A 32 17.261 -7.479 -2.631 1.00 2.10 H new ATOM 424 N PRO A 33 15.851 -3.824 -3.870 1.00 72.51 N ATOM 425 CA PRO A 33 15.528 -3.558 -5.273 1.00 5.43 C ATOM 426 C PRO A 33 14.689 -4.667 -5.920 1.00 32.21 C ATOM 427 O PRO A 33 13.901 -4.373 -6.820 1.00 4.10 O ATOM 428 CB PRO A 33 16.866 -3.342 -5.992 1.00 15.13 C ATOM 429 CG PRO A 33 17.918 -3.879 -5.027 1.00 4.14 C ATOM 430 CD PRO A 33 17.285 -3.659 -3.661 1.00 41.42 C ATOM 0 HA PRO A 33 14.896 -2.673 -5.352 1.00 5.43 H new ATOM 0 HB2 PRO A 33 16.894 -3.873 -6.943 1.00 15.13 H new ATOM 0 HB3 PRO A 33 17.032 -2.287 -6.211 1.00 15.13 H new ATOM 0 HG2 PRO A 33 18.129 -4.933 -5.208 1.00 4.14 H new ATOM 0 HG3 PRO A 33 18.863 -3.344 -5.123 1.00 4.14 H new ATOM 0 HD2 PRO A 33 17.662 -4.377 -2.933 1.00 41.42 H new ATOM 0 HD3 PRO A 33 17.515 -2.665 -3.277 1.00 41.42 H new ATOM 435 N HIS A 34 14.814 -5.908 -5.444 1.00 20.11 N ATOM 436 CA HIS A 34 14.130 -7.058 -6.007 1.00 32.13 C ATOM 437 C HIS A 34 12.782 -7.370 -5.339 1.00 2.30 C ATOM 438 O HIS A 34 12.096 -8.260 -5.852 1.00 13.43 O ATOM 439 CB HIS A 34 15.054 -8.282 -5.945 1.00 60.41 C ATOM 440 CG HIS A 34 16.334 -8.147 -6.736 1.00 31.20 C ATOM 441 ND1 HIS A 34 16.540 -8.607 -8.017 1.00 44.51 N ATOM 442 CD2 HIS A 34 17.517 -7.613 -6.298 1.00 12.34 C ATOM 443 CE1 HIS A 34 17.817 -8.357 -8.344 1.00 0.00 C ATOM 444 NE2 HIS A 34 18.457 -7.762 -7.322 1.00 55.13 N ATOM 0 H HIS A 34 15.404 -6.138 -4.644 1.00 20.11 H new ATOM 0 HA HIS A 34 13.895 -6.808 -7.042 1.00 32.13 H new ATOM 0 HB2 HIS A 34 15.306 -8.478 -4.903 1.00 60.41 H new ATOM 0 HB3 HIS A 34 14.507 -9.152 -6.310 1.00 60.41 H new ATOM 0 HD2 HIS A 34 17.692 -7.158 -5.334 1.00 12.34 H new ATOM 0 HE1 HIS A 34 18.268 -8.600 -9.295 1.00 0.00 H new ATOM 0 HE2 HIS A 34 19.436 -7.476 -7.299 1.00 55.13 H new ATOM 451 N SER A 35 12.359 -6.710 -4.248 1.00 43.04 N ATOM 452 CA SER A 35 11.170 -7.106 -3.506 1.00 12.01 C ATOM 453 C SER A 35 9.930 -7.036 -4.405 1.00 20.40 C ATOM 454 O SER A 35 9.865 -6.288 -5.388 1.00 51.51 O ATOM 455 CB SER A 35 11.016 -6.269 -2.227 1.00 32.30 C ATOM 456 OG SER A 35 11.226 -4.891 -2.451 1.00 43.34 O ATOM 0 H SER A 35 12.834 -5.893 -3.865 1.00 43.04 H new ATOM 0 HA SER A 35 11.281 -8.143 -3.189 1.00 12.01 H new ATOM 0 HB2 SER A 35 10.017 -6.419 -1.818 1.00 32.30 H new ATOM 0 HB3 SER A 35 11.724 -6.624 -1.478 1.00 32.30 H new ATOM 0 HG SER A 35 12.181 -4.725 -2.599 1.00 43.34 H new ATOM 461 N THR A 36 8.927 -7.819 -4.067 1.00 33.10 N ATOM 462 CA THR A 36 7.684 -7.909 -4.829 1.00 3.13 C ATOM 463 C THR A 36 6.554 -7.204 -4.082 1.00 12.51 C ATOM 464 O THR A 36 6.701 -6.805 -2.920 1.00 75.22 O ATOM 465 CB THR A 36 7.392 -9.375 -5.208 1.00 40.42 C ATOM 466 OG1 THR A 36 7.619 -10.281 -4.148 1.00 43.32 O ATOM 467 CG2 THR A 36 8.302 -9.767 -6.370 1.00 32.42 C ATOM 0 H THR A 36 8.946 -8.422 -3.245 1.00 33.10 H new ATOM 0 HA THR A 36 7.781 -7.380 -5.777 1.00 3.13 H new ATOM 0 HB THR A 36 6.336 -9.434 -5.471 1.00 40.42 H new ATOM 0 HG1 THR A 36 7.416 -11.192 -4.447 1.00 43.32 H new ATOM 0 HG21 THR A 36 8.108 -10.802 -6.651 1.00 32.42 H new ATOM 0 HG22 THR A 36 8.104 -9.117 -7.222 1.00 32.42 H new ATOM 0 HG23 THR A 36 9.344 -9.662 -6.068 1.00 32.42 H new ATOM 475 N MET A 37 5.423 -6.992 -4.759 1.00 4.03 N ATOM 476 CA MET A 37 4.191 -6.542 -4.127 1.00 23.13 C ATOM 477 C MET A 37 3.728 -7.559 -3.080 1.00 51.42 C ATOM 478 O MET A 37 3.116 -7.189 -2.077 1.00 73.42 O ATOM 479 CB MET A 37 3.157 -6.366 -5.244 1.00 40.15 C ATOM 480 CG MET A 37 1.722 -6.256 -4.740 1.00 22.14 C ATOM 481 SD MET A 37 0.544 -5.711 -5.996 1.00 45.44 S ATOM 482 CE MET A 37 1.135 -4.022 -6.285 1.00 34.54 C ATOM 0 H MET A 37 5.341 -7.130 -5.766 1.00 4.03 H new ATOM 0 HA MET A 37 4.335 -5.599 -3.600 1.00 23.13 H new ATOM 0 HB2 MET A 37 3.402 -5.471 -5.815 1.00 40.15 H new ATOM 0 HB3 MET A 37 3.228 -7.211 -5.929 1.00 40.15 H new ATOM 0 HG2 MET A 37 1.407 -7.227 -4.357 1.00 22.14 H new ATOM 0 HG3 MET A 37 1.694 -5.559 -3.903 1.00 22.14 H new ATOM 0 HE1 MET A 37 0.292 -3.381 -6.543 1.00 34.54 H new ATOM 0 HE2 MET A 37 1.615 -3.645 -5.382 1.00 34.54 H new ATOM 0 HE3 MET A 37 1.854 -4.023 -7.104 1.00 34.54 H new ATOM 490 N ASP A 38 4.031 -8.833 -3.327 1.00 41.41 N ATOM 491 CA ASP A 38 3.507 -9.975 -2.598 1.00 74.43 C ATOM 492 C ASP A 38 3.739 -9.869 -1.104 1.00 34.10 C ATOM 493 O ASP A 38 2.842 -10.197 -0.338 1.00 51.43 O ATOM 494 CB ASP A 38 4.214 -11.253 -3.073 1.00 25.34 C ATOM 495 CG ASP A 38 3.349 -12.026 -4.040 1.00 52.23 C ATOM 496 OD1 ASP A 38 2.367 -12.631 -3.567 1.00 31.44 O ATOM 497 OD2 ASP A 38 3.631 -11.965 -5.257 1.00 21.44 O ATOM 0 H ASP A 38 4.674 -9.103 -4.071 1.00 41.41 H new ATOM 0 HA ASP A 38 2.434 -10.001 -2.790 1.00 74.43 H new ATOM 0 HB2 ASP A 38 5.158 -10.993 -3.552 1.00 25.34 H new ATOM 0 HB3 ASP A 38 4.454 -11.880 -2.214 1.00 25.34 H new ATOM 501 N SER A 39 4.938 -9.438 -0.706 1.00 22.23 N ATOM 502 CA SER A 39 5.347 -9.301 0.684 1.00 44.24 C ATOM 503 C SER A 39 4.327 -8.444 1.446 1.00 12.10 C ATOM 504 O SER A 39 3.873 -8.808 2.529 1.00 33.35 O ATOM 505 CB SER A 39 6.772 -8.709 0.694 1.00 55.41 C ATOM 506 OG SER A 39 7.521 -9.057 1.841 1.00 42.13 O ATOM 0 H SER A 39 5.668 -9.168 -1.365 1.00 22.23 H new ATOM 0 HA SER A 39 5.372 -10.263 1.197 1.00 44.24 H new ATOM 0 HB2 SER A 39 7.304 -9.049 -0.194 1.00 55.41 H new ATOM 0 HB3 SER A 39 6.706 -7.623 0.629 1.00 55.41 H new ATOM 0 HG SER A 39 8.476 -8.940 1.656 1.00 42.13 H new ATOM 511 N ILE A 40 3.924 -7.314 0.863 1.00 33.45 N ATOM 512 CA ILE A 40 3.004 -6.386 1.492 1.00 42.05 C ATOM 513 C ILE A 40 1.612 -7.024 1.523 1.00 31.33 C ATOM 514 O ILE A 40 0.990 -7.071 2.581 1.00 2.04 O ATOM 515 CB ILE A 40 3.046 -5.015 0.777 1.00 12.01 C ATOM 516 CG1 ILE A 40 4.456 -4.374 0.776 1.00 60.24 C ATOM 517 CG2 ILE A 40 2.090 -4.032 1.469 1.00 21.11 C ATOM 518 CD1 ILE A 40 5.332 -4.771 -0.416 1.00 64.22 C ATOM 0 H ILE A 40 4.233 -7.022 -0.064 1.00 33.45 H new ATOM 0 HA ILE A 40 3.295 -6.186 2.523 1.00 42.05 H new ATOM 0 HB ILE A 40 2.751 -5.205 -0.255 1.00 12.01 H new ATOM 0 HG12 ILE A 40 4.348 -3.289 0.787 1.00 60.24 H new ATOM 0 HG13 ILE A 40 4.969 -4.653 1.697 1.00 60.24 H new ATOM 0 HG21 ILE A 40 2.126 -3.069 0.959 1.00 21.11 H new ATOM 0 HG22 ILE A 40 1.074 -4.425 1.431 1.00 21.11 H new ATOM 0 HG23 ILE A 40 2.391 -3.903 2.509 1.00 21.11 H new ATOM 0 HD11 ILE A 40 6.300 -4.277 -0.336 1.00 64.22 H new ATOM 0 HD12 ILE A 40 5.475 -5.852 -0.419 1.00 64.22 H new ATOM 0 HD13 ILE A 40 4.845 -4.467 -1.343 1.00 64.22 H new ATOM 529 N LEU A 41 1.118 -7.526 0.385 1.00 13.55 N ATOM 530 CA LEU A 41 -0.219 -8.118 0.321 1.00 40.11 C ATOM 531 C LEU A 41 -0.366 -9.280 1.300 1.00 32.45 C ATOM 532 O LEU A 41 -1.401 -9.377 1.958 1.00 0.23 O ATOM 533 CB LEU A 41 -0.560 -8.575 -1.104 1.00 63.25 C ATOM 534 CG LEU A 41 -0.979 -7.430 -2.041 1.00 40.32 C ATOM 535 CD1 LEU A 41 -1.146 -7.992 -3.451 1.00 23.31 C ATOM 536 CD2 LEU A 41 -2.300 -6.751 -1.648 1.00 61.14 C ATOM 0 H LEU A 41 1.624 -7.533 -0.501 1.00 13.55 H new ATOM 0 HA LEU A 41 -0.926 -7.340 0.610 1.00 40.11 H new ATOM 0 HB2 LEU A 41 0.306 -9.082 -1.530 1.00 63.25 H new ATOM 0 HB3 LEU A 41 -1.366 -9.307 -1.057 1.00 63.25 H new ATOM 0 HG LEU A 41 -0.195 -6.675 -1.975 1.00 40.32 H new ATOM 0 HD11 LEU A 41 -1.443 -7.192 -4.129 1.00 23.31 H new ATOM 0 HD12 LEU A 41 -0.201 -8.419 -3.787 1.00 23.31 H new ATOM 0 HD13 LEU A 41 -1.913 -8.767 -3.445 1.00 23.31 H new ATOM 0 HD21 LEU A 41 -2.525 -5.955 -2.358 1.00 61.14 H new ATOM 0 HD22 LEU A 41 -3.105 -7.486 -1.660 1.00 61.14 H new ATOM 0 HD23 LEU A 41 -2.209 -6.329 -0.647 1.00 61.14 H new ATOM 547 N GLY A 42 0.658 -10.123 1.423 1.00 31.35 N ATOM 548 CA GLY A 42 0.660 -11.262 2.321 1.00 54.03 C ATOM 549 C GLY A 42 0.673 -10.815 3.776 1.00 23.14 C ATOM 550 O GLY A 42 -0.017 -11.419 4.593 1.00 24.13 O ATOM 0 H GLY A 42 1.522 -10.026 0.889 1.00 31.35 H new ATOM 0 HA2 GLY A 42 -0.220 -11.877 2.135 1.00 54.03 H new ATOM 0 HA3 GLY A 42 1.532 -11.885 2.121 1.00 54.03 H new ATOM 554 N ALA A 43 1.408 -9.751 4.121 1.00 2.43 N ATOM 555 CA ALA A 43 1.480 -9.282 5.500 1.00 22.31 C ATOM 556 C ALA A 43 0.107 -8.803 5.968 1.00 14.54 C ATOM 557 O ALA A 43 -0.328 -9.142 7.069 1.00 32.53 O ATOM 558 CB ALA A 43 2.515 -8.160 5.636 1.00 42.34 C ATOM 0 H ALA A 43 1.959 -9.202 3.461 1.00 2.43 H new ATOM 0 HA ALA A 43 1.793 -10.113 6.132 1.00 22.31 H new ATOM 0 HB1 ALA A 43 2.553 -7.824 6.672 1.00 42.34 H new ATOM 0 HB2 ALA A 43 3.496 -8.532 5.338 1.00 42.34 H new ATOM 0 HB3 ALA A 43 2.233 -7.325 4.994 1.00 42.34 H new ATOM 564 N LEU A 44 -0.574 -8.006 5.140 1.00 13.02 N ATOM 565 CA LEU A 44 -1.817 -7.340 5.516 1.00 31.30 C ATOM 566 C LEU A 44 -3.050 -8.198 5.249 1.00 1.21 C ATOM 567 O LEU A 44 -4.156 -7.763 5.570 1.00 21.44 O ATOM 568 CB LEU A 44 -1.951 -5.993 4.772 1.00 22.35 C ATOM 569 CG LEU A 44 -1.052 -4.834 5.244 1.00 65.43 C ATOM 570 CD1 LEU A 44 -0.801 -4.808 6.751 1.00 60.31 C ATOM 571 CD2 LEU A 44 0.305 -4.801 4.549 1.00 52.13 C ATOM 0 H LEU A 44 -0.274 -7.806 4.186 1.00 13.02 H new ATOM 0 HA LEU A 44 -1.766 -7.168 6.591 1.00 31.30 H new ATOM 0 HB2 LEU A 44 -1.748 -6.169 3.716 1.00 22.35 H new ATOM 0 HB3 LEU A 44 -2.989 -5.668 4.847 1.00 22.35 H new ATOM 0 HG LEU A 44 -1.633 -3.954 4.967 1.00 65.43 H new ATOM 0 HD11 LEU A 44 -0.160 -3.962 6.999 1.00 60.31 H new ATOM 0 HD12 LEU A 44 -1.751 -4.709 7.276 1.00 60.31 H new ATOM 0 HD13 LEU A 44 -0.313 -5.734 7.055 1.00 60.31 H new ATOM 0 HD21 LEU A 44 0.887 -3.961 4.928 1.00 52.13 H new ATOM 0 HD22 LEU A 44 0.838 -5.731 4.747 1.00 52.13 H new ATOM 0 HD23 LEU A 44 0.161 -4.687 3.475 1.00 52.13 H new ATOM 582 N ALA A 45 -2.898 -9.384 4.657 1.00 22.10 N ATOM 583 CA ALA A 45 -3.993 -10.233 4.208 1.00 33.34 C ATOM 584 C ALA A 45 -5.132 -10.362 5.241 1.00 71.33 C ATOM 585 O ALA A 45 -6.245 -9.923 4.945 1.00 42.13 O ATOM 586 CB ALA A 45 -3.431 -11.561 3.698 1.00 0.25 C ATOM 0 H ALA A 45 -1.980 -9.789 4.473 1.00 22.10 H new ATOM 0 HA ALA A 45 -4.491 -9.751 3.366 1.00 33.34 H new ATOM 0 HB1 ALA A 45 -4.250 -12.197 3.362 1.00 0.25 H new ATOM 0 HB2 ALA A 45 -2.752 -11.373 2.866 1.00 0.25 H new ATOM 0 HB3 ALA A 45 -2.890 -12.060 4.502 1.00 0.25 H new ATOM 592 N PRO A 46 -4.919 -10.907 6.449 1.00 45.03 N ATOM 593 CA PRO A 46 -5.979 -11.054 7.441 1.00 41.42 C ATOM 594 C PRO A 46 -6.297 -9.798 8.253 1.00 60.41 C ATOM 595 O PRO A 46 -7.114 -9.873 9.171 1.00 74.34 O ATOM 596 CB PRO A 46 -5.510 -12.203 8.345 1.00 5.21 C ATOM 597 CG PRO A 46 -3.992 -12.047 8.319 1.00 62.53 C ATOM 598 CD PRO A 46 -3.728 -11.621 6.883 1.00 32.35 C ATOM 0 HA PRO A 46 -6.924 -11.253 6.936 1.00 41.42 H new ATOM 0 HB2 PRO A 46 -5.910 -12.113 9.355 1.00 5.21 H new ATOM 0 HB3 PRO A 46 -5.825 -13.174 7.963 1.00 5.21 H new ATOM 0 HG2 PRO A 46 -3.649 -11.299 9.034 1.00 62.53 H new ATOM 0 HG3 PRO A 46 -3.484 -12.979 8.565 1.00 62.53 H new ATOM 0 HD2 PRO A 46 -2.847 -10.983 6.822 1.00 32.35 H new ATOM 0 HD3 PRO A 46 -3.539 -12.487 6.248 1.00 32.35 H new ATOM 603 N TYR A 47 -5.673 -8.656 7.975 1.00 52.32 N ATOM 604 CA TYR A 47 -5.763 -7.463 8.816 1.00 3.44 C ATOM 605 C TYR A 47 -6.306 -6.265 8.044 1.00 1.33 C ATOM 606 O TYR A 47 -6.293 -5.137 8.541 1.00 51.43 O ATOM 607 CB TYR A 47 -4.381 -7.174 9.399 1.00 71.51 C ATOM 608 CG TYR A 47 -3.677 -8.367 10.024 1.00 41.21 C ATOM 609 CD1 TYR A 47 -4.360 -9.223 10.912 1.00 55.54 C ATOM 610 CD2 TYR A 47 -2.334 -8.633 9.700 1.00 0.30 C ATOM 611 CE1 TYR A 47 -3.691 -10.309 11.504 1.00 52.24 C ATOM 612 CE2 TYR A 47 -1.647 -9.684 10.326 1.00 33.44 C ATOM 613 CZ TYR A 47 -2.320 -10.525 11.241 1.00 44.02 C ATOM 614 OH TYR A 47 -1.665 -11.541 11.863 1.00 51.13 O ATOM 0 H TYR A 47 -5.084 -8.531 7.151 1.00 52.32 H new ATOM 0 HA TYR A 47 -6.469 -7.647 9.626 1.00 3.44 H new ATOM 0 HB2 TYR A 47 -3.748 -6.773 8.608 1.00 71.51 H new ATOM 0 HB3 TYR A 47 -4.479 -6.394 10.154 1.00 71.51 H new ATOM 0 HD1 TYR A 47 -5.401 -9.044 11.138 1.00 55.54 H new ATOM 0 HD2 TYR A 47 -1.829 -8.024 8.965 1.00 0.30 H new ATOM 0 HE1 TYR A 47 -4.226 -10.979 12.161 1.00 52.24 H new ATOM 0 HE2 TYR A 47 -0.602 -9.851 10.108 1.00 33.44 H new ATOM 0 HH TYR A 47 -0.729 -11.554 11.572 1.00 51.13 H new ATOM 623 N ALA A 48 -6.748 -6.500 6.812 1.00 74.32 N ATOM 624 CA ALA A 48 -7.202 -5.436 5.929 1.00 22.21 C ATOM 625 C ALA A 48 -8.240 -5.983 4.958 1.00 12.05 C ATOM 626 O ALA A 48 -8.418 -7.200 4.847 1.00 40.42 O ATOM 627 CB ALA A 48 -5.990 -4.844 5.203 1.00 71.42 C ATOM 0 H ALA A 48 -6.801 -7.432 6.401 1.00 74.32 H new ATOM 0 HA ALA A 48 -7.679 -4.640 6.500 1.00 22.21 H new ATOM 0 HB1 ALA A 48 -6.319 -4.045 4.538 1.00 71.42 H new ATOM 0 HB2 ALA A 48 -5.289 -4.442 5.934 1.00 71.42 H new ATOM 0 HB3 ALA A 48 -5.499 -5.623 4.619 1.00 71.42 H new ATOM 633 N VAL A 49 -8.893 -5.099 4.217 1.00 21.14 N ATOM 634 CA VAL A 49 -9.792 -5.405 3.122 1.00 1.31 C ATOM 635 C VAL A 49 -9.392 -4.484 1.970 1.00 43.14 C ATOM 636 O VAL A 49 -9.954 -3.408 1.767 1.00 23.41 O ATOM 637 CB VAL A 49 -11.250 -5.386 3.611 1.00 12.42 C ATOM 638 CG1 VAL A 49 -11.700 -4.090 4.287 1.00 73.13 C ATOM 639 CG2 VAL A 49 -12.219 -5.765 2.483 1.00 53.53 C ATOM 0 H VAL A 49 -8.802 -4.095 4.375 1.00 21.14 H new ATOM 0 HA VAL A 49 -9.711 -6.419 2.730 1.00 1.31 H new ATOM 0 HB VAL A 49 -11.279 -6.142 4.396 1.00 12.42 H new ATOM 0 HG11 VAL A 49 -12.742 -4.182 4.593 1.00 73.13 H new ATOM 0 HG12 VAL A 49 -11.079 -3.902 5.163 1.00 73.13 H new ATOM 0 HG13 VAL A 49 -11.600 -3.261 3.587 1.00 73.13 H new ATOM 0 HG21 VAL A 49 -13.242 -5.743 2.859 1.00 53.53 H new ATOM 0 HG22 VAL A 49 -12.118 -5.054 1.663 1.00 53.53 H new ATOM 0 HG23 VAL A 49 -11.986 -6.768 2.125 1.00 53.53 H new ATOM 649 N LEU A 50 -8.328 -4.867 1.264 1.00 0.21 N ATOM 650 CA LEU A 50 -7.687 -4.064 0.224 1.00 2.44 C ATOM 651 C LEU A 50 -7.158 -4.971 -0.884 1.00 34.34 C ATOM 652 O LEU A 50 -7.399 -6.182 -0.873 1.00 2.10 O ATOM 653 CB LEU A 50 -6.617 -3.142 0.844 1.00 74.14 C ATOM 654 CG LEU A 50 -5.512 -3.788 1.705 1.00 3.44 C ATOM 655 CD1 LEU A 50 -4.516 -4.633 0.909 1.00 52.52 C ATOM 656 CD2 LEU A 50 -4.734 -2.676 2.425 1.00 12.11 C ATOM 0 H LEU A 50 -7.876 -5.770 1.404 1.00 0.21 H new ATOM 0 HA LEU A 50 -8.416 -3.403 -0.245 1.00 2.44 H new ATOM 0 HB2 LEU A 50 -6.133 -2.600 0.032 1.00 74.14 H new ATOM 0 HB3 LEU A 50 -7.130 -2.403 1.459 1.00 74.14 H new ATOM 0 HG LEU A 50 -6.015 -4.461 2.400 1.00 3.44 H new ATOM 0 HD11 LEU A 50 -3.772 -5.052 1.586 1.00 52.52 H new ATOM 0 HD12 LEU A 50 -5.046 -5.442 0.406 1.00 52.52 H new ATOM 0 HD13 LEU A 50 -4.020 -4.008 0.167 1.00 52.52 H new ATOM 0 HD21 LEU A 50 -3.949 -3.119 3.038 1.00 12.11 H new ATOM 0 HD22 LEU A 50 -4.286 -2.009 1.688 1.00 12.11 H new ATOM 0 HD23 LEU A 50 -5.414 -2.109 3.061 1.00 12.11 H new ATOM 667 N SER A 51 -6.474 -4.398 -1.878 1.00 13.00 N ATOM 668 CA SER A 51 -5.830 -5.178 -2.927 1.00 24.12 C ATOM 669 C SER A 51 -4.652 -4.354 -3.454 1.00 72.12 C ATOM 670 O SER A 51 -4.216 -3.355 -2.868 1.00 32.10 O ATOM 671 CB SER A 51 -6.902 -5.567 -3.980 1.00 41.33 C ATOM 672 OG SER A 51 -6.620 -5.483 -5.365 1.00 54.41 O ATOM 0 H SER A 51 -6.354 -3.390 -1.974 1.00 13.00 H new ATOM 0 HA SER A 51 -5.413 -6.123 -2.579 1.00 24.12 H new ATOM 0 HB2 SER A 51 -7.194 -6.597 -3.774 1.00 41.33 H new ATOM 0 HB3 SER A 51 -7.776 -4.944 -3.793 1.00 41.33 H new ATOM 0 HG SER A 51 -7.406 -5.767 -5.877 1.00 54.41 H new ATOM 677 N SER A 52 -4.153 -4.785 -4.598 1.00 2.12 N ATOM 678 CA SER A 52 -3.100 -4.198 -5.405 1.00 33.22 C ATOM 679 C SER A 52 -3.462 -2.827 -6.010 1.00 2.34 C ATOM 680 O SER A 52 -2.620 -2.226 -6.674 1.00 31.30 O ATOM 681 CB SER A 52 -2.699 -5.247 -6.452 1.00 12.20 C ATOM 682 OG SER A 52 -3.791 -5.927 -7.061 1.00 14.21 O ATOM 0 H SER A 52 -4.511 -5.639 -5.027 1.00 2.12 H new ATOM 0 HA SER A 52 -2.246 -3.956 -4.772 1.00 33.22 H new ATOM 0 HB2 SER A 52 -2.113 -4.758 -7.231 1.00 12.20 H new ATOM 0 HB3 SER A 52 -2.049 -5.983 -5.979 1.00 12.20 H new ATOM 0 HG SER A 52 -3.451 -6.574 -7.714 1.00 14.21 H new ATOM 687 N SER A 53 -4.668 -2.293 -5.771 1.00 72.32 N ATOM 688 CA SER A 53 -4.892 -0.847 -5.877 1.00 40.32 C ATOM 689 C SER A 53 -4.084 -0.120 -4.790 1.00 64.42 C ATOM 690 O SER A 53 -3.373 0.847 -5.064 1.00 43.01 O ATOM 691 CB SER A 53 -6.393 -0.522 -5.729 1.00 45.01 C ATOM 692 OG SER A 53 -6.959 -0.100 -6.960 1.00 44.24 O ATOM 0 H SER A 53 -5.492 -2.833 -5.507 1.00 72.32 H new ATOM 0 HA SER A 53 -4.562 -0.508 -6.859 1.00 40.32 H new ATOM 0 HB2 SER A 53 -6.923 -1.403 -5.367 1.00 45.01 H new ATOM 0 HB3 SER A 53 -6.525 0.259 -4.980 1.00 45.01 H new ATOM 0 HG SER A 53 -7.911 0.096 -6.832 1.00 44.24 H new ATOM 697 N ASN A 54 -4.253 -0.549 -3.537 1.00 32.53 N ATOM 698 CA ASN A 54 -3.739 0.133 -2.362 1.00 52.44 C ATOM 699 C ASN A 54 -2.235 -0.029 -2.301 1.00 53.23 C ATOM 700 O ASN A 54 -1.523 0.947 -2.069 1.00 11.13 O ATOM 701 CB ASN A 54 -4.354 -0.442 -1.076 1.00 23.45 C ATOM 702 CG ASN A 54 -5.859 -0.244 -1.036 1.00 41.04 C ATOM 703 OD1 ASN A 54 -6.586 -0.800 -1.856 1.00 1.41 O ATOM 704 ND2 ASN A 54 -6.346 0.541 -0.099 1.00 12.12 N ATOM 0 H ASN A 54 -4.765 -1.402 -3.313 1.00 32.53 H new ATOM 0 HA ASN A 54 -4.005 1.187 -2.437 1.00 52.44 H new ATOM 0 HB2 ASN A 54 -4.125 -1.505 -1.007 1.00 23.45 H new ATOM 0 HB3 ASN A 54 -3.901 0.039 -0.209 1.00 23.45 H new ATOM 0 HD21 ASN A 54 -7.352 0.701 -0.040 1.00 12.12 H new ATOM 0 HD22 ASN A 54 -5.718 0.989 0.568 1.00 12.12 H new ATOM 710 N VAL A 55 -1.771 -1.267 -2.449 1.00 74.44 N ATOM 711 CA VAL A 55 -0.370 -1.628 -2.428 1.00 64.44 C ATOM 712 C VAL A 55 0.239 -1.122 -3.739 1.00 42.31 C ATOM 713 O VAL A 55 -0.178 -1.543 -4.816 1.00 23.25 O ATOM 714 CB VAL A 55 -0.258 -3.152 -2.208 1.00 74.44 C ATOM 715 CG1 VAL A 55 1.192 -3.629 -2.135 1.00 35.30 C ATOM 716 CG2 VAL A 55 -0.939 -3.547 -0.886 1.00 24.13 C ATOM 0 H VAL A 55 -2.386 -2.068 -2.591 1.00 74.44 H new ATOM 0 HA VAL A 55 0.189 -1.171 -1.611 1.00 64.44 H new ATOM 0 HB VAL A 55 -0.744 -3.620 -3.064 1.00 74.44 H new ATOM 0 HG11 VAL A 55 1.213 -4.708 -1.979 1.00 35.30 H new ATOM 0 HG12 VAL A 55 1.702 -3.387 -3.067 1.00 35.30 H new ATOM 0 HG13 VAL A 55 1.697 -3.133 -1.306 1.00 35.30 H new ATOM 0 HG21 VAL A 55 -0.854 -4.624 -0.741 1.00 24.13 H new ATOM 0 HG22 VAL A 55 -0.454 -3.030 -0.058 1.00 24.13 H new ATOM 0 HG23 VAL A 55 -1.992 -3.267 -0.921 1.00 24.13 H new ATOM 726 N ARG A 56 1.191 -0.189 -3.657 1.00 4.31 N ATOM 727 CA ARG A 56 1.881 0.403 -4.809 1.00 64.21 C ATOM 728 C ARG A 56 3.373 0.430 -4.499 1.00 23.30 C ATOM 729 O ARG A 56 3.731 0.466 -3.319 1.00 21.34 O ATOM 730 CB ARG A 56 1.294 1.808 -5.031 1.00 61.14 C ATOM 731 CG ARG A 56 1.736 2.528 -6.314 1.00 52.23 C ATOM 732 CD ARG A 56 1.011 3.876 -6.484 1.00 42.31 C ATOM 733 NE ARG A 56 1.288 4.818 -5.379 1.00 25.30 N ATOM 734 CZ ARG A 56 0.910 6.104 -5.316 1.00 22.22 C ATOM 735 NH1 ARG A 56 0.215 6.662 -6.301 1.00 72.23 N ATOM 736 NH2 ARG A 56 1.243 6.829 -4.254 1.00 54.55 N ATOM 0 H ARG A 56 1.513 0.186 -2.765 1.00 4.31 H new ATOM 0 HA ARG A 56 1.743 -0.170 -5.726 1.00 64.21 H new ATOM 0 HB2 ARG A 56 0.207 1.729 -5.039 1.00 61.14 H new ATOM 0 HB3 ARG A 56 1.562 2.431 -4.178 1.00 61.14 H new ATOM 0 HG2 ARG A 56 2.813 2.694 -6.287 1.00 52.23 H new ATOM 0 HG3 ARG A 56 1.533 1.893 -7.177 1.00 52.23 H new ATOM 0 HD2 ARG A 56 1.314 4.330 -7.427 1.00 42.31 H new ATOM 0 HD3 ARG A 56 -0.063 3.701 -6.545 1.00 42.31 H new ATOM 0 HE ARG A 56 1.818 4.455 -4.587 1.00 25.30 H new ATOM 0 HH11 ARG A 56 -0.039 6.112 -7.121 1.00 72.23 H new ATOM 0 HH12 ARG A 56 -0.064 7.641 -6.237 1.00 72.23 H new ATOM 0 HH21 ARG A 56 1.781 6.407 -3.497 1.00 54.55 H new ATOM 0 HH22 ARG A 56 0.961 7.807 -4.196 1.00 54.55 H new ATOM 747 N VAL A 57 4.243 0.400 -5.511 1.00 43.43 N ATOM 748 CA VAL A 57 5.688 0.349 -5.329 1.00 51.22 C ATOM 749 C VAL A 57 6.397 1.086 -6.477 1.00 53.43 C ATOM 750 O VAL A 57 6.626 0.539 -7.554 1.00 72.31 O ATOM 751 CB VAL A 57 6.134 -1.112 -5.097 1.00 20.31 C ATOM 752 CG1 VAL A 57 5.530 -2.103 -6.100 1.00 14.43 C ATOM 753 CG2 VAL A 57 7.664 -1.245 -5.034 1.00 25.13 C ATOM 0 H VAL A 57 3.956 0.411 -6.490 1.00 43.43 H new ATOM 0 HA VAL A 57 5.989 0.886 -4.430 1.00 51.22 H new ATOM 0 HB VAL A 57 5.733 -1.385 -4.121 1.00 20.31 H new ATOM 0 HG11 VAL A 57 5.886 -3.109 -5.877 1.00 14.43 H new ATOM 0 HG12 VAL A 57 4.443 -2.078 -6.026 1.00 14.43 H new ATOM 0 HG13 VAL A 57 5.831 -1.827 -7.111 1.00 14.43 H new ATOM 0 HG21 VAL A 57 7.932 -2.289 -4.870 1.00 25.13 H new ATOM 0 HG22 VAL A 57 8.098 -0.902 -5.973 1.00 25.13 H new ATOM 0 HG23 VAL A 57 8.049 -0.638 -4.214 1.00 25.13 H new ATOM 763 N ILE A 58 6.753 2.342 -6.219 1.00 33.54 N ATOM 764 CA ILE A 58 7.601 3.184 -7.070 1.00 74.31 C ATOM 765 C ILE A 58 8.979 2.511 -7.249 1.00 34.24 C ATOM 766 O ILE A 58 9.574 2.022 -6.274 1.00 71.22 O ATOM 767 CB ILE A 58 7.736 4.623 -6.485 1.00 21.12 C ATOM 768 CG1 ILE A 58 6.443 5.326 -5.993 1.00 52.54 C ATOM 769 CG2 ILE A 58 8.378 5.566 -7.511 1.00 60.35 C ATOM 770 CD1 ILE A 58 5.149 4.959 -6.726 1.00 42.03 C ATOM 0 H ILE A 58 6.447 2.825 -5.375 1.00 33.54 H new ATOM 0 HA ILE A 58 7.133 3.285 -8.049 1.00 74.31 H new ATOM 0 HB ILE A 58 8.347 4.447 -5.600 1.00 21.12 H new ATOM 0 HG12 ILE A 58 6.312 5.100 -4.935 1.00 52.54 H new ATOM 0 HG13 ILE A 58 6.588 6.403 -6.073 1.00 52.54 H new ATOM 0 HG21 ILE A 58 8.463 6.565 -7.084 1.00 60.35 H new ATOM 0 HG22 ILE A 58 9.370 5.198 -7.773 1.00 60.35 H new ATOM 0 HG23 ILE A 58 7.758 5.606 -8.406 1.00 60.35 H new ATOM 0 HD11 ILE A 58 4.316 5.513 -6.293 1.00 42.03 H new ATOM 0 HD12 ILE A 58 5.244 5.213 -7.782 1.00 42.03 H new ATOM 0 HD13 ILE A 58 4.965 3.889 -6.625 1.00 42.03 H new ATOM 781 N LYS A 59 9.466 2.493 -8.497 1.00 64.11 N ATOM 782 CA LYS A 59 10.762 1.952 -8.920 1.00 23.23 C ATOM 783 C LYS A 59 11.842 3.039 -8.859 1.00 20.22 C ATOM 784 O LYS A 59 11.545 4.173 -8.477 1.00 52.43 O ATOM 785 CB LYS A 59 10.619 1.387 -10.347 1.00 52.25 C ATOM 786 CG LYS A 59 9.570 0.262 -10.397 1.00 20.41 C ATOM 787 CD LYS A 59 9.240 -0.174 -11.824 1.00 72.43 C ATOM 788 CE LYS A 59 10.431 -0.845 -12.505 1.00 14.22 C ATOM 789 NZ LYS A 59 10.283 -2.313 -12.605 1.00 64.21 N ATOM 0 H LYS A 59 8.937 2.877 -9.280 1.00 64.11 H new ATOM 0 HA LYS A 59 11.068 1.151 -8.247 1.00 23.23 H new ATOM 0 HB2 LYS A 59 10.332 2.186 -11.030 1.00 52.25 H new ATOM 0 HB3 LYS A 59 11.581 1.006 -10.688 1.00 52.25 H new ATOM 0 HG2 LYS A 59 9.937 -0.597 -9.835 1.00 20.41 H new ATOM 0 HG3 LYS A 59 8.658 0.599 -9.904 1.00 20.41 H new ATOM 0 HD2 LYS A 59 8.396 -0.864 -11.807 1.00 72.43 H new ATOM 0 HD3 LYS A 59 8.931 0.694 -12.406 1.00 72.43 H new ATOM 0 HE2 LYS A 59 10.554 -0.428 -13.505 1.00 14.22 H new ATOM 0 HE3 LYS A 59 11.339 -0.613 -11.949 1.00 14.22 H new ATOM 0 HZ1 LYS A 59 11.221 -2.760 -12.563 1.00 64.21 H new ATOM 0 HZ2 LYS A 59 9.699 -2.658 -11.816 1.00 64.21 H new ATOM 0 HZ3 LYS A 59 9.824 -2.555 -13.506 1.00 64.21 H new ATOM 799 N ASP A 60 13.090 2.734 -9.228 1.00 13.53 N ATOM 800 CA ASP A 60 14.127 3.744 -9.422 1.00 22.30 C ATOM 801 C ASP A 60 14.175 4.228 -10.881 1.00 11.30 C ATOM 802 O ASP A 60 13.506 3.677 -11.759 1.00 61.42 O ATOM 803 CB ASP A 60 15.477 3.208 -8.936 1.00 24.43 C ATOM 804 CG ASP A 60 16.551 4.279 -9.068 1.00 75.33 C ATOM 805 OD1 ASP A 60 16.337 5.403 -8.543 1.00 40.03 O ATOM 806 OD2 ASP A 60 17.480 4.097 -9.870 1.00 3.35 O ATOM 0 H ASP A 60 13.406 1.780 -9.400 1.00 13.53 H new ATOM 0 HA ASP A 60 13.883 4.620 -8.821 1.00 22.30 H new ATOM 0 HB2 ASP A 60 15.397 2.891 -7.896 1.00 24.43 H new ATOM 0 HB3 ASP A 60 15.757 2.329 -9.517 1.00 24.43 H new ATOM 810 N LYS A 61 14.897 5.321 -11.127 1.00 15.53 N ATOM 811 CA LYS A 61 15.104 5.970 -12.414 1.00 13.25 C ATOM 812 C LYS A 61 16.345 5.431 -13.132 1.00 11.20 C ATOM 813 O LYS A 61 16.323 5.308 -14.359 1.00 43.02 O ATOM 814 CB LYS A 61 15.235 7.462 -12.136 1.00 64.12 C ATOM 815 CG LYS A 61 15.630 8.266 -13.381 1.00 2.43 C ATOM 816 CD LYS A 61 15.456 9.753 -13.082 1.00 22.53 C ATOM 817 CE LYS A 61 16.617 10.620 -13.590 1.00 64.11 C ATOM 818 NZ LYS A 61 16.665 10.718 -15.064 1.00 12.44 N ATOM 0 H LYS A 61 15.386 5.808 -10.376 1.00 15.53 H new ATOM 0 HA LYS A 61 14.265 5.768 -13.079 1.00 13.25 H new ATOM 0 HB2 LYS A 61 14.288 7.840 -11.751 1.00 64.12 H new ATOM 0 HB3 LYS A 61 15.981 7.618 -11.357 1.00 64.12 H new ATOM 0 HG2 LYS A 61 16.664 8.054 -13.655 1.00 2.43 H new ATOM 0 HG3 LYS A 61 15.010 7.977 -14.230 1.00 2.43 H new ATOM 0 HD2 LYS A 61 14.528 10.101 -13.536 1.00 22.53 H new ATOM 0 HD3 LYS A 61 15.355 9.890 -12.005 1.00 22.53 H new ATOM 0 HE2 LYS A 61 16.527 11.621 -13.168 1.00 64.11 H new ATOM 0 HE3 LYS A 61 17.558 10.205 -13.228 1.00 64.11 H new ATOM 0 HZ1 LYS A 61 17.468 11.315 -15.346 1.00 12.44 H new ATOM 0 HZ2 LYS A 61 16.780 9.768 -15.472 1.00 12.44 H new ATOM 0 HZ3 LYS A 61 15.781 11.140 -15.413 1.00 12.44 H new ATOM 828 N GLN A 62 17.429 5.170 -12.399 1.00 34.22 N ATOM 829 CA GLN A 62 18.701 4.703 -12.939 1.00 1.41 C ATOM 830 C GLN A 62 18.602 3.230 -13.335 1.00 52.23 C ATOM 831 O GLN A 62 19.365 2.778 -14.192 1.00 52.14 O ATOM 832 CB GLN A 62 19.838 4.892 -11.920 1.00 15.11 C ATOM 833 CG GLN A 62 19.761 6.227 -11.164 1.00 3.34 C ATOM 834 CD GLN A 62 21.036 6.559 -10.392 1.00 13.03 C ATOM 835 OE1 GLN A 62 21.572 5.750 -9.634 1.00 43.51 O ATOM 836 NE2 GLN A 62 21.549 7.761 -10.577 1.00 13.45 N ATOM 0 H GLN A 62 17.443 5.282 -11.385 1.00 34.22 H new ATOM 0 HA GLN A 62 18.927 5.298 -13.824 1.00 1.41 H new ATOM 0 HB2 GLN A 62 19.812 4.073 -11.201 1.00 15.11 H new ATOM 0 HB3 GLN A 62 20.795 4.831 -12.438 1.00 15.11 H new ATOM 0 HG2 GLN A 62 19.556 7.028 -11.875 1.00 3.34 H new ATOM 0 HG3 GLN A 62 18.922 6.195 -10.469 1.00 3.34 H new ATOM 0 HE21 GLN A 62 21.092 8.419 -11.209 1.00 13.45 H new ATOM 0 HE22 GLN A 62 22.402 8.032 -10.088 1.00 13.45 H new ATOM 843 N THR A 63 17.665 2.499 -12.731 1.00 53.33 N ATOM 844 CA THR A 63 17.403 1.087 -12.948 1.00 72.41 C ATOM 845 C THR A 63 15.930 0.918 -13.342 1.00 4.51 C ATOM 846 O THR A 63 15.231 1.890 -13.657 1.00 60.42 O ATOM 847 CB THR A 63 17.781 0.302 -11.670 1.00 64.34 C ATOM 848 OG1 THR A 63 16.751 0.451 -10.714 1.00 64.12 O ATOM 849 CG2 THR A 63 19.125 0.704 -11.044 1.00 32.20 C ATOM 0 H THR A 63 17.036 2.905 -12.039 1.00 53.33 H new ATOM 0 HA THR A 63 18.008 0.686 -13.761 1.00 72.41 H new ATOM 0 HB THR A 63 17.898 -0.738 -11.976 1.00 64.34 H new ATOM 0 HG1 THR A 63 17.100 0.242 -9.822 1.00 64.12 H new ATOM 0 HG21 THR A 63 19.306 0.102 -10.154 1.00 32.20 H new ATOM 0 HG22 THR A 63 19.926 0.538 -11.764 1.00 32.20 H new ATOM 0 HG23 THR A 63 19.097 1.758 -10.769 1.00 32.20 H new ATOM 857 N GLN A 64 15.434 -0.318 -13.315 1.00 63.11 N ATOM 858 CA GLN A 64 14.031 -0.670 -13.391 1.00 1.30 C ATOM 859 C GLN A 64 13.713 -1.639 -12.247 1.00 52.33 C ATOM 860 O GLN A 64 13.016 -2.632 -12.441 1.00 54.02 O ATOM 861 CB GLN A 64 13.732 -1.227 -14.795 1.00 24.45 C ATOM 862 CG GLN A 64 13.978 -0.205 -15.920 1.00 22.31 C ATOM 863 CD GLN A 64 12.857 0.825 -16.027 1.00 72.43 C ATOM 864 OE1 GLN A 64 11.967 0.689 -16.865 1.00 21.15 O ATOM 865 NE2 GLN A 64 12.848 1.840 -15.172 1.00 41.53 N ATOM 0 H GLN A 64 16.037 -1.137 -13.235 1.00 63.11 H new ATOM 0 HA GLN A 64 13.379 0.194 -13.261 1.00 1.30 H new ATOM 0 HB2 GLN A 64 14.353 -2.106 -14.970 1.00 24.45 H new ATOM 0 HB3 GLN A 64 12.694 -1.557 -14.834 1.00 24.45 H new ATOM 0 HG2 GLN A 64 14.923 0.308 -15.741 1.00 22.31 H new ATOM 0 HG3 GLN A 64 14.076 -0.731 -16.870 1.00 22.31 H new ATOM 0 HE21 GLN A 64 13.596 1.935 -14.485 1.00 41.53 H new ATOM 0 HE22 GLN A 64 12.093 2.526 -15.202 1.00 41.53 H new ATOM 872 N LEU A 65 14.190 -1.324 -11.045 1.00 0.42 N ATOM 873 CA LEU A 65 14.056 -2.072 -9.796 1.00 41.02 C ATOM 874 C LEU A 65 13.483 -1.125 -8.743 1.00 24.34 C ATOM 875 O LEU A 65 13.159 0.013 -9.068 1.00 1.41 O ATOM 876 CB LEU A 65 15.440 -2.544 -9.344 1.00 42.32 C ATOM 877 CG LEU A 65 16.112 -3.552 -10.285 1.00 12.41 C ATOM 878 CD1 LEU A 65 17.622 -3.353 -10.186 1.00 5.30 C ATOM 879 CD2 LEU A 65 15.710 -4.987 -9.935 1.00 2.10 C ATOM 0 H LEU A 65 14.725 -0.467 -10.908 1.00 0.42 H new ATOM 0 HA LEU A 65 13.405 -2.935 -9.933 1.00 41.02 H new ATOM 0 HB2 LEU A 65 16.090 -1.675 -9.241 1.00 42.32 H new ATOM 0 HB3 LEU A 65 15.350 -2.994 -8.355 1.00 42.32 H new ATOM 0 HG LEU A 65 15.785 -3.382 -11.311 1.00 12.41 H new ATOM 0 HD11 LEU A 65 18.126 -4.059 -10.846 1.00 5.30 H new ATOM 0 HD12 LEU A 65 17.875 -2.335 -10.482 1.00 5.30 H new ATOM 0 HD13 LEU A 65 17.945 -3.523 -9.159 1.00 5.30 H new ATOM 0 HD21 LEU A 65 16.201 -5.679 -10.618 1.00 2.10 H new ATOM 0 HD22 LEU A 65 16.013 -5.210 -8.912 1.00 2.10 H new ATOM 0 HD23 LEU A 65 14.629 -5.094 -10.025 1.00 2.10 H new ATOM 890 N ASN A 66 13.302 -1.569 -7.499 1.00 24.34 N ATOM 891 CA ASN A 66 12.644 -0.757 -6.472 1.00 41.44 C ATOM 892 C ASN A 66 13.580 0.281 -5.834 1.00 54.23 C ATOM 893 O ASN A 66 14.802 0.206 -5.972 1.00 61.31 O ATOM 894 CB ASN A 66 12.065 -1.651 -5.377 1.00 44.11 C ATOM 895 CG ASN A 66 11.108 -2.709 -5.876 1.00 3.31 C ATOM 896 OD1 ASN A 66 10.328 -2.488 -6.799 1.00 0.10 O ATOM 897 ND2 ASN A 66 11.184 -3.883 -5.290 1.00 22.22 N ATOM 0 H ASN A 66 13.602 -2.489 -7.176 1.00 24.34 H new ATOM 0 HA ASN A 66 11.847 -0.213 -6.978 1.00 41.44 H new ATOM 0 HB2 ASN A 66 12.886 -2.139 -4.852 1.00 44.11 H new ATOM 0 HB3 ASN A 66 11.548 -1.025 -4.649 1.00 44.11 H new ATOM 0 HD21 ASN A 66 10.583 -4.647 -5.599 1.00 22.22 H new ATOM 0 HD22 ASN A 66 11.844 -4.030 -4.526 1.00 22.22 H new ATOM 903 N ARG A 67 12.991 1.207 -5.060 1.00 63.25 N ATOM 904 CA ARG A 67 13.674 2.242 -4.265 1.00 11.15 C ATOM 905 C ARG A 67 13.647 1.952 -2.756 1.00 64.45 C ATOM 906 O ARG A 67 13.745 2.876 -1.950 1.00 43.04 O ATOM 907 CB ARG A 67 13.092 3.637 -4.598 1.00 12.31 C ATOM 908 CG ARG A 67 13.777 4.247 -5.820 1.00 51.44 C ATOM 909 CD ARG A 67 13.346 5.702 -6.050 1.00 62.54 C ATOM 910 NE ARG A 67 14.228 6.369 -7.020 1.00 55.22 N ATOM 911 CZ ARG A 67 14.105 7.599 -7.532 1.00 33.34 C ATOM 912 NH1 ARG A 67 13.120 8.397 -7.130 1.00 14.31 N ATOM 913 NH2 ARG A 67 14.984 8.001 -8.442 1.00 60.23 N ATOM 0 H ARG A 67 11.977 1.257 -4.967 1.00 63.25 H new ATOM 0 HA ARG A 67 14.728 2.230 -4.544 1.00 11.15 H new ATOM 0 HB2 ARG A 67 12.021 3.552 -4.783 1.00 12.31 H new ATOM 0 HB3 ARG A 67 13.216 4.299 -3.741 1.00 12.31 H new ATOM 0 HG2 ARG A 67 14.858 4.205 -5.689 1.00 51.44 H new ATOM 0 HG3 ARG A 67 13.540 3.654 -6.703 1.00 51.44 H new ATOM 0 HD2 ARG A 67 12.318 5.727 -6.411 1.00 62.54 H new ATOM 0 HD3 ARG A 67 13.365 6.244 -5.104 1.00 62.54 H new ATOM 0 HE ARG A 67 15.031 5.828 -7.341 1.00 55.22 H new ATOM 0 HH11 ARG A 67 12.454 8.072 -6.429 1.00 14.31 H new ATOM 0 HH12 ARG A 67 13.030 9.334 -7.523 1.00 14.31 H new ATOM 0 HH21 ARG A 67 15.734 7.376 -8.737 1.00 60.23 H new ATOM 0 HH22 ARG A 67 14.909 8.935 -8.846 1.00 60.23 H new ATOM 924 N GLY A 68 13.459 0.704 -2.324 1.00 3.12 N ATOM 925 CA GLY A 68 13.594 0.355 -0.914 1.00 65.22 C ATOM 926 C GLY A 68 12.430 0.821 -0.041 1.00 2.11 C ATOM 927 O GLY A 68 12.475 0.642 1.181 1.00 51.44 O ATOM 0 H GLY A 68 13.213 -0.078 -2.931 1.00 3.12 H new ATOM 0 HA2 GLY A 68 13.689 -0.727 -0.826 1.00 65.22 H new ATOM 0 HA3 GLY A 68 14.518 0.788 -0.531 1.00 65.22 H new ATOM 931 N PHE A 69 11.389 1.399 -0.641 1.00 11.45 N ATOM 932 CA PHE A 69 10.155 1.796 0.014 1.00 22.23 C ATOM 933 C PHE A 69 8.981 1.280 -0.814 1.00 3.51 C ATOM 934 O PHE A 69 9.182 0.809 -1.942 1.00 4.34 O ATOM 935 CB PHE A 69 10.120 3.322 0.225 1.00 1.34 C ATOM 936 CG PHE A 69 9.717 4.182 -0.962 1.00 72.43 C ATOM 937 CD1 PHE A 69 10.680 4.655 -1.873 1.00 21.23 C ATOM 938 CD2 PHE A 69 8.375 4.583 -1.106 1.00 41.34 C ATOM 939 CE1 PHE A 69 10.302 5.521 -2.916 1.00 43.35 C ATOM 940 CE2 PHE A 69 8.002 5.473 -2.127 1.00 33.14 C ATOM 941 CZ PHE A 69 8.966 5.939 -3.038 1.00 51.12 C ATOM 0 H PHE A 69 11.389 1.610 -1.639 1.00 11.45 H new ATOM 0 HA PHE A 69 10.088 1.356 1.009 1.00 22.23 H new ATOM 0 HB2 PHE A 69 9.432 3.533 1.043 1.00 1.34 H new ATOM 0 HB3 PHE A 69 11.110 3.640 0.551 1.00 1.34 H new ATOM 0 HD1 PHE A 69 11.712 4.353 -1.771 1.00 21.23 H new ATOM 0 HD2 PHE A 69 7.627 4.203 -0.426 1.00 41.34 H new ATOM 0 HE1 PHE A 69 11.041 5.865 -3.625 1.00 43.35 H new ATOM 0 HE2 PHE A 69 6.976 5.799 -2.212 1.00 33.14 H new ATOM 0 HZ PHE A 69 8.681 6.616 -3.829 1.00 51.12 H new ATOM 950 N ALA A 70 7.762 1.374 -0.285 1.00 5.23 N ATOM 951 CA ALA A 70 6.514 1.138 -1.007 1.00 15.21 C ATOM 952 C ALA A 70 5.366 1.866 -0.275 1.00 12.55 C ATOM 953 O ALA A 70 5.612 2.458 0.775 1.00 24.14 O ATOM 954 CB ALA A 70 6.289 -0.370 -1.166 1.00 33.33 C ATOM 0 H ALA A 70 7.612 1.625 0.692 1.00 5.23 H new ATOM 0 HA ALA A 70 6.556 1.547 -2.016 1.00 15.21 H new ATOM 0 HB1 ALA A 70 5.358 -0.544 -1.705 1.00 33.33 H new ATOM 0 HB2 ALA A 70 7.118 -0.805 -1.725 1.00 33.33 H new ATOM 0 HB3 ALA A 70 6.231 -0.835 -0.182 1.00 33.33 H new ATOM 960 N PHE A 71 4.135 1.840 -0.798 1.00 23.50 N ATOM 961 CA PHE A 71 2.971 2.619 -0.341 1.00 3.45 C ATOM 962 C PHE A 71 1.773 1.709 -0.004 1.00 42.32 C ATOM 963 O PHE A 71 1.602 0.684 -0.670 1.00 2.35 O ATOM 964 CB PHE A 71 2.538 3.529 -1.505 1.00 32.42 C ATOM 965 CG PHE A 71 3.123 4.923 -1.526 1.00 4.02 C ATOM 966 CD1 PHE A 71 2.996 5.750 -0.396 1.00 40.02 C ATOM 967 CD2 PHE A 71 3.738 5.421 -2.691 1.00 15.13 C ATOM 968 CE1 PHE A 71 3.497 7.058 -0.424 1.00 33.53 C ATOM 969 CE2 PHE A 71 4.248 6.730 -2.716 1.00 33.13 C ATOM 970 CZ PHE A 71 4.132 7.547 -1.579 1.00 15.21 C ATOM 0 H PHE A 71 3.908 1.244 -1.594 1.00 23.50 H new ATOM 0 HA PHE A 71 3.254 3.176 0.553 1.00 3.45 H new ATOM 0 HB2 PHE A 71 2.801 3.035 -2.440 1.00 32.42 H new ATOM 0 HB3 PHE A 71 1.452 3.615 -1.484 1.00 32.42 H new ATOM 0 HD1 PHE A 71 2.512 5.377 0.494 1.00 40.02 H new ATOM 0 HD2 PHE A 71 3.818 4.795 -3.567 1.00 15.13 H new ATOM 0 HE1 PHE A 71 3.395 7.692 0.444 1.00 33.53 H new ATOM 0 HE2 PHE A 71 4.728 7.107 -3.607 1.00 33.13 H new ATOM 0 HZ PHE A 71 4.531 8.551 -1.592 1.00 15.21 H new ATOM 979 N ILE A 72 0.890 2.123 0.922 1.00 22.44 N ATOM 980 CA ILE A 72 -0.422 1.508 1.176 1.00 71.12 C ATOM 981 C ILE A 72 -1.413 2.621 1.553 1.00 20.54 C ATOM 982 O ILE A 72 -1.203 3.288 2.563 1.00 4.14 O ATOM 983 CB ILE A 72 -0.383 0.475 2.330 1.00 42.04 C ATOM 984 CG1 ILE A 72 0.818 -0.485 2.307 1.00 24.21 C ATOM 985 CG2 ILE A 72 -1.696 -0.337 2.308 1.00 35.20 C ATOM 986 CD1 ILE A 72 0.880 -1.376 3.556 1.00 71.22 C ATOM 0 H ILE A 72 1.077 2.919 1.532 1.00 22.44 H new ATOM 0 HA ILE A 72 -0.724 0.981 0.271 1.00 71.12 H new ATOM 0 HB ILE A 72 -0.271 1.049 3.250 1.00 42.04 H new ATOM 0 HG12 ILE A 72 0.760 -1.114 1.418 1.00 24.21 H new ATOM 0 HG13 ILE A 72 1.739 0.092 2.230 1.00 24.21 H new ATOM 0 HG21 ILE A 72 -1.684 -1.069 3.115 1.00 35.20 H new ATOM 0 HG22 ILE A 72 -2.543 0.337 2.441 1.00 35.20 H new ATOM 0 HG23 ILE A 72 -1.789 -0.852 1.352 1.00 35.20 H new ATOM 0 HD11 ILE A 72 1.746 -2.035 3.490 1.00 71.22 H new ATOM 0 HD12 ILE A 72 0.966 -0.751 4.445 1.00 71.22 H new ATOM 0 HD13 ILE A 72 -0.028 -1.975 3.621 1.00 71.22 H new ATOM 997 N GLN A 73 -2.483 2.838 0.782 1.00 72.33 N ATOM 998 CA GLN A 73 -3.521 3.809 1.142 1.00 12.42 C ATOM 999 C GLN A 73 -4.554 3.169 2.091 1.00 61.34 C ATOM 1000 O GLN A 73 -4.949 2.020 1.865 1.00 20.32 O ATOM 1001 CB GLN A 73 -4.137 4.396 -0.142 1.00 23.14 C ATOM 1002 CG GLN A 73 -5.273 3.574 -0.744 1.00 23.12 C ATOM 1003 CD GLN A 73 -5.817 4.216 -2.012 1.00 32.43 C ATOM 1004 OE1 GLN A 73 -5.578 3.734 -3.118 1.00 13.43 O ATOM 1005 NE2 GLN A 73 -6.564 5.297 -1.873 1.00 51.43 N ATOM 0 H GLN A 73 -2.653 2.352 -0.099 1.00 72.33 H new ATOM 0 HA GLN A 73 -3.088 4.642 1.696 1.00 12.42 H new ATOM 0 HB2 GLN A 73 -4.508 5.397 0.076 1.00 23.14 H new ATOM 0 HB3 GLN A 73 -3.350 4.503 -0.889 1.00 23.14 H new ATOM 0 HG2 GLN A 73 -4.916 2.569 -0.968 1.00 23.12 H new ATOM 0 HG3 GLN A 73 -6.076 3.472 -0.014 1.00 23.12 H new ATOM 0 HE21 GLN A 73 -6.746 5.675 -0.943 1.00 51.43 H new ATOM 0 HE22 GLN A 73 -6.959 5.753 -2.695 1.00 51.43 H new ATOM 1012 N LEU A 74 -5.028 3.897 3.108 1.00 31.33 N ATOM 1013 CA LEU A 74 -5.916 3.434 4.182 1.00 5.20 C ATOM 1014 C LEU A 74 -6.979 4.508 4.485 1.00 52.52 C ATOM 1015 O LEU A 74 -6.824 5.671 4.099 1.00 71.13 O ATOM 1016 CB LEU A 74 -5.078 3.167 5.459 1.00 73.24 C ATOM 1017 CG LEU A 74 -4.652 1.723 5.783 1.00 14.10 C ATOM 1018 CD1 LEU A 74 -5.869 0.824 6.009 1.00 2.13 C ATOM 1019 CD2 LEU A 74 -3.718 1.097 4.748 1.00 63.43 C ATOM 0 H LEU A 74 -4.788 4.883 3.210 1.00 31.33 H new ATOM 0 HA LEU A 74 -6.413 2.517 3.867 1.00 5.20 H new ATOM 0 HB2 LEU A 74 -4.172 3.770 5.391 1.00 73.24 H new ATOM 0 HB3 LEU A 74 -5.647 3.541 6.310 1.00 73.24 H new ATOM 0 HG LEU A 74 -4.077 1.797 6.706 1.00 14.10 H new ATOM 0 HD11 LEU A 74 -5.536 -0.189 6.236 1.00 2.13 H new ATOM 0 HD12 LEU A 74 -6.455 1.209 6.843 1.00 2.13 H new ATOM 0 HD13 LEU A 74 -6.484 0.811 5.109 1.00 2.13 H new ATOM 0 HD21 LEU A 74 -3.467 0.081 5.052 1.00 63.43 H new ATOM 0 HD22 LEU A 74 -4.214 1.073 3.778 1.00 63.43 H new ATOM 0 HD23 LEU A 74 -2.806 1.690 4.675 1.00 63.43 H new ATOM 1030 N SER A 75 -8.049 4.147 5.208 1.00 11.00 N ATOM 1031 CA SER A 75 -8.925 5.129 5.853 1.00 43.41 C ATOM 1032 C SER A 75 -8.152 5.816 6.994 1.00 25.41 C ATOM 1033 O SER A 75 -7.177 5.261 7.493 1.00 31.10 O ATOM 1034 CB SER A 75 -10.198 4.448 6.371 1.00 62.34 C ATOM 1035 OG SER A 75 -11.220 5.398 6.592 1.00 73.55 O ATOM 0 H SER A 75 -8.327 3.177 5.360 1.00 11.00 H new ATOM 0 HA SER A 75 -9.230 5.885 5.130 1.00 43.41 H new ATOM 0 HB2 SER A 75 -10.537 3.704 5.650 1.00 62.34 H new ATOM 0 HB3 SER A 75 -9.981 3.918 7.298 1.00 62.34 H new ATOM 0 HG SER A 75 -12.024 4.943 6.920 1.00 73.55 H new ATOM 1040 N THR A 76 -8.592 6.983 7.464 1.00 1.50 N ATOM 1041 CA THR A 76 -7.869 7.816 8.430 1.00 71.33 C ATOM 1042 C THR A 76 -7.594 7.055 9.728 1.00 3.35 C ATOM 1043 O THR A 76 -6.445 6.809 10.111 1.00 34.12 O ATOM 1044 CB THR A 76 -8.664 9.117 8.661 1.00 4.15 C ATOM 1045 OG1 THR A 76 -10.027 8.833 8.953 1.00 52.45 O ATOM 1046 CG2 THR A 76 -8.633 9.973 7.398 1.00 12.43 C ATOM 0 H THR A 76 -9.484 7.387 7.177 1.00 1.50 H new ATOM 0 HA THR A 76 -6.890 8.078 8.029 1.00 71.33 H new ATOM 0 HB THR A 76 -8.205 9.641 9.500 1.00 4.15 H new ATOM 0 HG1 THR A 76 -10.512 9.672 9.098 1.00 52.45 H new ATOM 0 HG21 THR A 76 -9.196 10.891 7.567 1.00 12.43 H new ATOM 0 HG22 THR A 76 -7.601 10.221 7.152 1.00 12.43 H new ATOM 0 HG23 THR A 76 -9.080 9.420 6.572 1.00 12.43 H new ATOM 1054 N ILE A 77 -8.677 6.648 10.389 1.00 3.03 N ATOM 1055 CA ILE A 77 -8.652 5.944 11.661 1.00 24.12 C ATOM 1056 C ILE A 77 -7.900 4.624 11.490 1.00 21.40 C ATOM 1057 O ILE A 77 -7.118 4.246 12.362 1.00 61.11 O ATOM 1058 CB ILE A 77 -10.092 5.711 12.152 1.00 75.32 C ATOM 1059 CG1 ILE A 77 -10.857 7.046 12.293 1.00 11.23 C ATOM 1060 CG2 ILE A 77 -10.057 4.954 13.488 1.00 53.35 C ATOM 1061 CD1 ILE A 77 -12.362 6.826 12.395 1.00 13.24 C ATOM 0 H ILE A 77 -9.622 6.806 10.040 1.00 3.03 H new ATOM 0 HA ILE A 77 -8.134 6.541 12.412 1.00 24.12 H new ATOM 0 HB ILE A 77 -10.624 5.111 11.414 1.00 75.32 H new ATOM 0 HG12 ILE A 77 -10.506 7.575 13.179 1.00 11.23 H new ATOM 0 HG13 ILE A 77 -10.640 7.682 11.435 1.00 11.23 H new ATOM 0 HG21 ILE A 77 -11.076 4.787 13.839 1.00 53.35 H new ATOM 0 HG22 ILE A 77 -9.559 3.994 13.349 1.00 53.35 H new ATOM 0 HG23 ILE A 77 -9.511 5.543 14.225 1.00 53.35 H new ATOM 0 HD11 ILE A 77 -12.865 7.788 12.493 1.00 13.24 H new ATOM 0 HD12 ILE A 77 -12.718 6.321 11.497 1.00 13.24 H new ATOM 0 HD13 ILE A 77 -12.582 6.212 13.268 1.00 13.24 H new ATOM 1072 N GLU A 78 -8.156 3.936 10.373 1.00 20.43 N ATOM 1073 CA GLU A 78 -7.602 2.624 10.081 1.00 1.33 C ATOM 1074 C GLU A 78 -6.101 2.701 9.858 1.00 14.04 C ATOM 1075 O GLU A 78 -5.384 1.779 10.228 1.00 12.03 O ATOM 1076 CB GLU A 78 -8.226 2.030 8.825 1.00 74.51 C ATOM 1077 CG GLU A 78 -9.706 1.716 8.996 1.00 73.44 C ATOM 1078 CD GLU A 78 -10.342 1.368 7.651 1.00 43.01 C ATOM 1079 OE1 GLU A 78 -9.677 0.803 6.752 1.00 74.24 O ATOM 1080 OE2 GLU A 78 -11.521 1.725 7.459 1.00 44.02 O ATOM 0 H GLU A 78 -8.767 4.288 9.636 1.00 20.43 H new ATOM 0 HA GLU A 78 -7.822 1.994 10.943 1.00 1.33 H new ATOM 0 HB2 GLU A 78 -8.100 2.728 7.997 1.00 74.51 H new ATOM 0 HB3 GLU A 78 -7.694 1.117 8.557 1.00 74.51 H new ATOM 0 HG2 GLU A 78 -9.829 0.883 9.688 1.00 73.44 H new ATOM 0 HG3 GLU A 78 -10.217 2.573 9.435 1.00 73.44 H new ATOM 1085 N ALA A 79 -5.615 3.790 9.270 1.00 22.42 N ATOM 1086 CA ALA A 79 -4.201 4.017 9.055 1.00 51.02 C ATOM 1087 C ALA A 79 -3.568 4.131 10.441 1.00 2.52 C ATOM 1088 O ALA A 79 -2.682 3.363 10.815 1.00 11.04 O ATOM 1089 CB ALA A 79 -3.989 5.277 8.217 1.00 43.04 C ATOM 0 H ALA A 79 -6.206 4.547 8.927 1.00 22.42 H new ATOM 0 HA ALA A 79 -3.737 3.203 8.499 1.00 51.02 H new ATOM 0 HB1 ALA A 79 -2.922 5.436 8.063 1.00 43.04 H new ATOM 0 HB2 ALA A 79 -4.482 5.159 7.252 1.00 43.04 H new ATOM 0 HB3 ALA A 79 -4.412 6.136 8.738 1.00 43.04 H new ATOM 1095 N ALA A 80 -4.130 5.042 11.240 1.00 24.10 N ATOM 1096 CA ALA A 80 -3.737 5.328 12.602 1.00 1.12 C ATOM 1097 C ALA A 80 -4.105 4.222 13.613 1.00 41.33 C ATOM 1098 O ALA A 80 -4.012 4.470 14.818 1.00 53.54 O ATOM 1099 CB ALA A 80 -4.352 6.673 13.007 1.00 0.52 C ATOM 0 H ALA A 80 -4.909 5.623 10.929 1.00 24.10 H new ATOM 0 HA ALA A 80 -2.648 5.373 12.629 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -4.068 6.909 14.033 1.00 0.52 H new ATOM 0 HB2 ALA A 80 -3.988 7.455 12.341 1.00 0.52 H new ATOM 0 HB3 ALA A 80 -5.438 6.613 12.936 1.00 0.52 H new ATOM 1105 N GLN A 81 -4.550 3.027 13.208 1.00 40.42 N ATOM 1106 CA GLN A 81 -4.678 1.859 14.084 1.00 11.05 C ATOM 1107 C GLN A 81 -3.867 0.681 13.529 1.00 64.33 C ATOM 1108 O GLN A 81 -3.345 -0.126 14.299 1.00 51.42 O ATOM 1109 CB GLN A 81 -6.169 1.527 14.319 1.00 60.11 C ATOM 1110 CG GLN A 81 -6.793 0.661 13.217 1.00 73.13 C ATOM 1111 CD GLN A 81 -8.321 0.534 13.211 1.00 15.40 C ATOM 1112 OE1 GLN A 81 -9.059 1.230 13.903 1.00 15.45 O ATOM 1113 NE2 GLN A 81 -8.828 -0.371 12.385 1.00 14.15 N ATOM 0 H GLN A 81 -4.836 2.842 12.246 1.00 40.42 H new ATOM 0 HA GLN A 81 -4.255 2.084 15.063 1.00 11.05 H new ATOM 0 HB2 GLN A 81 -6.270 1.012 15.274 1.00 60.11 H new ATOM 0 HB3 GLN A 81 -6.731 2.458 14.398 1.00 60.11 H new ATOM 0 HG2 GLN A 81 -6.483 1.065 12.253 1.00 73.13 H new ATOM 0 HG3 GLN A 81 -6.370 -0.341 13.294 1.00 73.13 H new ATOM 0 HE21 GLN A 81 -8.207 -0.945 11.814 1.00 14.15 H new ATOM 0 HE22 GLN A 81 -9.839 -0.493 12.321 1.00 14.15 H new ATOM 1120 N LEU A 82 -3.743 0.589 12.199 1.00 22.13 N ATOM 1121 CA LEU A 82 -2.984 -0.449 11.520 1.00 22.24 C ATOM 1122 C LEU A 82 -1.508 -0.312 11.862 1.00 2.24 C ATOM 1123 O LEU A 82 -0.856 -1.321 12.113 1.00 12.40 O ATOM 1124 CB LEU A 82 -3.211 -0.371 9.999 1.00 32.12 C ATOM 1125 CG LEU A 82 -2.574 -1.526 9.209 1.00 4.24 C ATOM 1126 CD1 LEU A 82 -3.216 -2.872 9.569 1.00 15.34 C ATOM 1127 CD2 LEU A 82 -2.744 -1.282 7.707 1.00 22.10 C ATOM 0 H LEU A 82 -4.180 1.252 11.558 1.00 22.13 H new ATOM 0 HA LEU A 82 -3.328 -1.426 11.859 1.00 22.24 H new ATOM 0 HB2 LEU A 82 -4.283 -0.359 9.803 1.00 32.12 H new ATOM 0 HB3 LEU A 82 -2.809 0.573 9.630 1.00 32.12 H new ATOM 0 HG LEU A 82 -1.516 -1.563 9.470 1.00 4.24 H new ATOM 0 HD11 LEU A 82 -2.742 -3.667 8.993 1.00 15.34 H new ATOM 0 HD12 LEU A 82 -3.082 -3.066 10.633 1.00 15.34 H new ATOM 0 HD13 LEU A 82 -4.281 -2.841 9.337 1.00 15.34 H new ATOM 0 HD21 LEU A 82 -2.291 -2.103 7.151 1.00 22.10 H new ATOM 0 HD22 LEU A 82 -3.805 -1.223 7.466 1.00 22.10 H new ATOM 0 HD23 LEU A 82 -2.257 -0.346 7.433 1.00 22.10 H new ATOM 1138 N LEU A 83 -0.993 0.923 11.919 1.00 22.14 N ATOM 1139 CA LEU A 83 0.409 1.203 12.187 1.00 73.42 C ATOM 1140 C LEU A 83 0.907 0.446 13.419 1.00 23.51 C ATOM 1141 O LEU A 83 1.970 -0.171 13.369 1.00 43.11 O ATOM 1142 CB LEU A 83 0.574 2.715 12.393 1.00 5.15 C ATOM 1143 CG LEU A 83 2.049 3.148 12.388 1.00 14.54 C ATOM 1144 CD1 LEU A 83 2.500 3.376 10.945 1.00 60.24 C ATOM 1145 CD2 LEU A 83 2.198 4.439 13.190 1.00 64.41 C ATOM 0 H LEU A 83 -1.554 1.763 11.777 1.00 22.14 H new ATOM 0 HA LEU A 83 1.005 0.869 11.338 1.00 73.42 H new ATOM 0 HB2 LEU A 83 0.039 3.247 11.606 1.00 5.15 H new ATOM 0 HB3 LEU A 83 0.117 3.002 13.340 1.00 5.15 H new ATOM 0 HG LEU A 83 2.666 2.372 12.840 1.00 14.54 H new ATOM 0 HD11 LEU A 83 3.546 3.683 10.935 1.00 60.24 H new ATOM 0 HD12 LEU A 83 2.388 2.452 10.378 1.00 60.24 H new ATOM 0 HD13 LEU A 83 1.888 4.156 10.491 1.00 60.24 H new ATOM 0 HD21 LEU A 83 3.243 4.749 13.189 1.00 64.41 H new ATOM 0 HD22 LEU A 83 1.587 5.220 12.738 1.00 64.41 H new ATOM 0 HD23 LEU A 83 1.871 4.270 14.216 1.00 64.41 H new ATOM 1156 N GLN A 84 0.133 0.470 14.505 1.00 42.11 N ATOM 1157 CA GLN A 84 0.519 -0.144 15.767 1.00 75.15 C ATOM 1158 C GLN A 84 0.566 -1.662 15.641 1.00 42.01 C ATOM 1159 O GLN A 84 1.451 -2.296 16.215 1.00 21.32 O ATOM 1160 CB GLN A 84 -0.452 0.303 16.874 1.00 4.32 C ATOM 1161 CG GLN A 84 0.140 1.410 17.759 1.00 74.52 C ATOM 1162 CD GLN A 84 0.576 2.672 17.021 1.00 4.23 C ATOM 1163 OE1 GLN A 84 1.589 2.694 16.333 1.00 11.50 O ATOM 1164 NE2 GLN A 84 -0.142 3.773 17.163 1.00 33.42 N ATOM 0 H GLN A 84 -0.783 0.919 14.529 1.00 42.11 H new ATOM 0 HA GLN A 84 1.523 0.185 16.034 1.00 75.15 H new ATOM 0 HB2 GLN A 84 -1.377 0.660 16.420 1.00 4.32 H new ATOM 0 HB3 GLN A 84 -0.711 -0.555 17.494 1.00 4.32 H new ATOM 0 HG2 GLN A 84 -0.600 1.686 18.511 1.00 74.52 H new ATOM 0 HG3 GLN A 84 1.000 1.005 18.292 1.00 74.52 H new ATOM 0 HE21 GLN A 84 -0.987 3.761 17.735 1.00 33.42 H new ATOM 0 HE22 GLN A 84 0.149 4.635 16.701 1.00 33.42 H new ATOM 1171 N ILE A 85 -0.357 -2.247 14.879 1.00 51.44 N ATOM 1172 CA ILE A 85 -0.383 -3.672 14.596 1.00 5.03 C ATOM 1173 C ILE A 85 0.925 -4.046 13.880 1.00 23.31 C ATOM 1174 O ILE A 85 1.597 -4.999 14.287 1.00 40.24 O ATOM 1175 CB ILE A 85 -1.666 -4.026 13.808 1.00 53.11 C ATOM 1176 CG1 ILE A 85 -2.925 -3.645 14.623 1.00 11.04 C ATOM 1177 CG2 ILE A 85 -1.709 -5.523 13.464 1.00 63.12 C ATOM 1178 CD1 ILE A 85 -4.225 -3.737 13.824 1.00 0.03 C ATOM 0 H ILE A 85 -1.118 -1.732 14.436 1.00 51.44 H new ATOM 0 HA ILE A 85 -0.429 -4.267 15.508 1.00 5.03 H new ATOM 0 HB ILE A 85 -1.652 -3.455 12.879 1.00 53.11 H new ATOM 0 HG12 ILE A 85 -2.996 -4.299 15.492 1.00 11.04 H new ATOM 0 HG13 ILE A 85 -2.810 -2.628 14.998 1.00 11.04 H new ATOM 0 HG21 ILE A 85 -2.622 -5.743 12.910 1.00 63.12 H new ATOM 0 HG22 ILE A 85 -0.843 -5.781 12.854 1.00 63.12 H new ATOM 0 HG23 ILE A 85 -1.692 -6.108 14.383 1.00 63.12 H new ATOM 0 HD11 ILE A 85 -5.064 -3.456 14.460 1.00 0.03 H new ATOM 0 HD12 ILE A 85 -4.175 -3.062 12.969 1.00 0.03 H new ATOM 0 HD13 ILE A 85 -4.364 -4.759 13.472 1.00 0.03 H new ATOM 1189 N LEU A 86 1.312 -3.288 12.843 1.00 42.22 N ATOM 1190 CA LEU A 86 2.415 -3.669 11.955 1.00 15.33 C ATOM 1191 C LEU A 86 3.773 -3.656 12.640 1.00 5.51 C ATOM 1192 O LEU A 86 4.704 -4.281 12.135 1.00 34.44 O ATOM 1193 CB LEU A 86 2.539 -2.764 10.723 1.00 54.53 C ATOM 1194 CG LEU A 86 1.301 -2.501 9.863 1.00 74.22 C ATOM 1195 CD1 LEU A 86 1.718 -1.928 8.505 1.00 22.44 C ATOM 1196 CD2 LEU A 86 0.469 -3.765 9.681 1.00 3.24 C ATOM 0 H LEU A 86 0.872 -2.401 12.599 1.00 42.22 H new ATOM 0 HA LEU A 86 2.153 -4.684 11.656 1.00 15.33 H new ATOM 0 HB2 LEU A 86 2.915 -1.798 11.062 1.00 54.53 H new ATOM 0 HB3 LEU A 86 3.303 -3.194 10.075 1.00 54.53 H new ATOM 0 HG LEU A 86 0.678 -1.771 10.380 1.00 74.22 H new ATOM 0 HD11 LEU A 86 0.830 -1.744 7.900 1.00 22.44 H new ATOM 0 HD12 LEU A 86 2.256 -0.992 8.655 1.00 22.44 H new ATOM 0 HD13 LEU A 86 2.365 -2.640 7.993 1.00 22.44 H new ATOM 0 HD21 LEU A 86 -0.402 -3.542 9.065 1.00 3.24 H new ATOM 0 HD22 LEU A 86 1.072 -4.530 9.192 1.00 3.24 H new ATOM 0 HD23 LEU A 86 0.141 -4.128 10.655 1.00 3.24 H new ATOM 1207 N GLN A 87 3.906 -2.966 13.774 1.00 65.22 N ATOM 1208 CA GLN A 87 5.141 -2.941 14.550 1.00 60.44 C ATOM 1209 C GLN A 87 5.515 -4.334 15.080 1.00 51.01 C ATOM 1210 O GLN A 87 6.620 -4.509 15.587 1.00 72.42 O ATOM 1211 CB GLN A 87 5.015 -1.928 15.698 1.00 1.40 C ATOM 1212 CG GLN A 87 4.948 -0.464 15.222 1.00 24.33 C ATOM 1213 CD GLN A 87 6.281 0.112 14.736 1.00 1.42 C ATOM 1214 OE1 GLN A 87 7.277 -0.589 14.578 1.00 35.30 O ATOM 1215 NE2 GLN A 87 6.323 1.404 14.445 1.00 3.41 N ATOM 0 H GLN A 87 3.155 -2.407 14.179 1.00 65.22 H new ATOM 0 HA GLN A 87 5.950 -2.629 13.889 1.00 60.44 H new ATOM 0 HB2 GLN A 87 4.119 -2.155 16.276 1.00 1.40 H new ATOM 0 HB3 GLN A 87 5.865 -2.045 16.370 1.00 1.40 H new ATOM 0 HG2 GLN A 87 4.220 -0.392 14.414 1.00 24.33 H new ATOM 0 HG3 GLN A 87 4.578 0.153 16.040 1.00 24.33 H new ATOM 0 HE21 GLN A 87 5.494 1.984 14.577 1.00 3.41 H new ATOM 0 HE22 GLN A 87 7.184 1.819 14.089 1.00 3.41 H new ATOM 1222 N ALA A 88 4.637 -5.334 14.965 1.00 34.40 N ATOM 1223 CA ALA A 88 4.835 -6.655 15.536 1.00 32.30 C ATOM 1224 C ALA A 88 4.923 -7.782 14.500 1.00 41.34 C ATOM 1225 O ALA A 88 5.093 -8.931 14.910 1.00 63.12 O ATOM 1226 CB ALA A 88 3.692 -6.919 16.510 1.00 62.21 C ATOM 0 H ALA A 88 3.755 -5.239 14.462 1.00 34.40 H new ATOM 0 HA ALA A 88 5.803 -6.656 16.038 1.00 32.30 H new ATOM 0 HB1 ALA A 88 3.814 -7.906 16.955 1.00 62.21 H new ATOM 0 HB2 ALA A 88 3.701 -6.163 17.295 1.00 62.21 H new ATOM 0 HB3 ALA A 88 2.742 -6.877 15.977 1.00 62.21 H new ATOM 1232 N LEU A 89 4.823 -7.524 13.190 1.00 24.31 N ATOM 1233 CA LEU A 89 4.666 -8.597 12.200 1.00 33.10 C ATOM 1234 C LEU A 89 5.586 -8.425 10.997 1.00 32.21 C ATOM 1235 O LEU A 89 6.059 -7.324 10.700 1.00 73.11 O ATOM 1236 CB LEU A 89 3.186 -8.721 11.792 1.00 3.51 C ATOM 1237 CG LEU A 89 2.626 -7.540 10.967 1.00 33.23 C ATOM 1238 CD1 LEU A 89 2.608 -7.799 9.455 1.00 21.32 C ATOM 1239 CD2 LEU A 89 1.185 -7.250 11.392 1.00 72.24 C ATOM 0 H LEU A 89 4.848 -6.585 12.792 1.00 24.31 H new ATOM 0 HA LEU A 89 4.973 -9.533 12.666 1.00 33.10 H new ATOM 0 HB2 LEU A 89 3.061 -9.637 11.215 1.00 3.51 H new ATOM 0 HB3 LEU A 89 2.585 -8.829 12.695 1.00 3.51 H new ATOM 0 HG LEU A 89 3.293 -6.701 11.163 1.00 33.23 H new ATOM 0 HD11 LEU A 89 2.203 -6.927 8.941 1.00 21.32 H new ATOM 0 HD12 LEU A 89 3.623 -7.986 9.106 1.00 21.32 H new ATOM 0 HD13 LEU A 89 1.985 -8.668 9.242 1.00 21.32 H new ATOM 0 HD21 LEU A 89 0.794 -6.417 10.808 1.00 72.24 H new ATOM 0 HD22 LEU A 89 0.570 -8.134 11.220 1.00 72.24 H new ATOM 0 HD23 LEU A 89 1.163 -6.993 12.451 1.00 72.24 H new ATOM 1250 N HIS A 90 5.818 -9.527 10.286 1.00 60.34 N ATOM 1251 CA HIS A 90 6.524 -9.563 9.014 1.00 40.14 C ATOM 1252 C HIS A 90 6.021 -10.756 8.191 1.00 23.11 C ATOM 1253 O HIS A 90 5.720 -11.805 8.765 1.00 4.13 O ATOM 1254 CB HIS A 90 8.043 -9.613 9.245 1.00 4.11 C ATOM 1255 CG HIS A 90 8.495 -10.632 10.261 1.00 42.31 C ATOM 1256 ND1 HIS A 90 8.806 -10.390 11.584 1.00 43.32 N ATOM 1257 CD2 HIS A 90 8.651 -11.971 10.034 1.00 61.21 C ATOM 1258 CE1 HIS A 90 9.141 -11.567 12.138 1.00 41.22 C ATOM 1259 NE2 HIS A 90 9.096 -12.553 11.226 1.00 32.21 N ATOM 0 H HIS A 90 5.508 -10.449 10.593 1.00 60.34 H new ATOM 0 HA HIS A 90 6.321 -8.653 8.449 1.00 40.14 H new ATOM 0 HB2 HIS A 90 8.534 -9.825 8.295 1.00 4.11 H new ATOM 0 HB3 HIS A 90 8.380 -8.627 9.565 1.00 4.11 H new ATOM 0 HD2 HIS A 90 8.465 -12.486 9.103 1.00 61.21 H new ATOM 0 HE1 HIS A 90 9.410 -11.702 13.175 1.00 41.22 H new ATOM 0 HE2 HIS A 90 9.338 -13.533 11.374 1.00 32.21 H new ATOM 1266 N PRO A 91 5.937 -10.625 6.856 1.00 54.05 N ATOM 1267 CA PRO A 91 5.429 -11.673 5.978 1.00 0.21 C ATOM 1268 C PRO A 91 6.470 -12.780 5.758 1.00 22.22 C ATOM 1269 O PRO A 91 7.669 -12.530 5.927 1.00 1.11 O ATOM 1270 CB PRO A 91 5.126 -10.963 4.654 1.00 73.44 C ATOM 1271 CG PRO A 91 6.161 -9.838 4.629 1.00 35.15 C ATOM 1272 CD PRO A 91 6.280 -9.437 6.092 1.00 44.45 C ATOM 0 HA PRO A 91 4.553 -12.160 6.406 1.00 0.21 H new ATOM 0 HB2 PRO A 91 5.236 -11.633 3.801 1.00 73.44 H new ATOM 0 HB3 PRO A 91 4.107 -10.576 4.626 1.00 73.44 H new ATOM 0 HG2 PRO A 91 7.115 -10.178 4.227 1.00 35.15 H new ATOM 0 HG3 PRO A 91 5.833 -9.004 4.009 1.00 35.15 H new ATOM 0 HD2 PRO A 91 7.290 -9.100 6.325 1.00 44.45 H new ATOM 0 HD3 PRO A 91 5.607 -8.612 6.328 1.00 44.45 H new ATOM 1277 N PRO A 92 6.055 -13.952 5.247 1.00 14.34 N ATOM 1278 CA PRO A 92 6.957 -15.039 4.881 1.00 73.43 C ATOM 1279 C PRO A 92 7.777 -14.763 3.609 1.00 13.53 C ATOM 1280 O PRO A 92 8.678 -15.540 3.285 1.00 2.40 O ATOM 1281 CB PRO A 92 6.042 -16.250 4.694 1.00 12.12 C ATOM 1282 CG PRO A 92 4.721 -15.642 4.236 1.00 62.21 C ATOM 1283 CD PRO A 92 4.665 -14.341 5.029 1.00 20.42 C ATOM 0 HA PRO A 92 7.713 -15.185 5.653 1.00 73.43 H new ATOM 0 HB2 PRO A 92 6.442 -16.942 3.953 1.00 12.12 H new ATOM 0 HB3 PRO A 92 5.924 -16.809 5.622 1.00 12.12 H new ATOM 0 HG2 PRO A 92 4.708 -15.463 3.161 1.00 62.21 H new ATOM 0 HG3 PRO A 92 3.875 -16.292 4.462 1.00 62.21 H new ATOM 0 HD2 PRO A 92 4.124 -13.570 4.480 1.00 20.42 H new ATOM 0 HD3 PRO A 92 4.144 -14.482 5.976 1.00 20.42 H new ATOM 1288 N LEU A 93 7.484 -13.691 2.862 1.00 44.32 N ATOM 1289 CA LEU A 93 8.103 -13.372 1.574 1.00 23.40 C ATOM 1290 C LEU A 93 9.462 -12.664 1.761 1.00 32.13 C ATOM 1291 O LEU A 93 9.740 -11.620 1.158 1.00 0.32 O ATOM 1292 CB LEU A 93 7.106 -12.556 0.721 1.00 53.25 C ATOM 1293 CG LEU A 93 7.041 -12.952 -0.767 1.00 43.14 C ATOM 1294 CD1 LEU A 93 8.403 -13.125 -1.453 1.00 22.50 C ATOM 1295 CD2 LEU A 93 6.212 -14.229 -0.925 1.00 32.32 C ATOM 0 H LEU A 93 6.788 -13.002 3.148 1.00 44.32 H new ATOM 0 HA LEU A 93 8.328 -14.293 1.036 1.00 23.40 H new ATOM 0 HB2 LEU A 93 6.111 -12.662 1.153 1.00 53.25 H new ATOM 0 HB3 LEU A 93 7.372 -11.501 0.789 1.00 53.25 H new ATOM 0 HG LEU A 93 6.568 -12.111 -1.273 1.00 43.14 H new ATOM 0 HD11 LEU A 93 8.252 -13.403 -2.496 1.00 22.50 H new ATOM 0 HD12 LEU A 93 8.957 -12.187 -1.404 1.00 22.50 H new ATOM 0 HD13 LEU A 93 8.969 -13.907 -0.947 1.00 22.50 H new ATOM 0 HD21 LEU A 93 6.168 -14.506 -1.978 1.00 32.32 H new ATOM 0 HD22 LEU A 93 6.675 -15.036 -0.356 1.00 32.32 H new ATOM 0 HD23 LEU A 93 5.202 -14.056 -0.553 1.00 32.32 H new ATOM 1306 N THR A 94 10.301 -13.164 2.661 1.00 41.14 N ATOM 1307 CA THR A 94 11.584 -12.591 3.051 1.00 13.23 C ATOM 1308 C THR A 94 12.655 -12.888 1.983 1.00 40.32 C ATOM 1309 O THR A 94 13.575 -13.682 2.170 1.00 62.32 O ATOM 1310 CB THR A 94 11.948 -13.159 4.422 1.00 23.54 C ATOM 1311 OG1 THR A 94 10.842 -13.111 5.314 1.00 61.53 O ATOM 1312 CG2 THR A 94 13.109 -12.416 5.069 1.00 5.23 C ATOM 0 H THR A 94 10.093 -14.026 3.165 1.00 41.14 H new ATOM 0 HA THR A 94 11.524 -11.505 3.123 1.00 13.23 H new ATOM 0 HB THR A 94 12.242 -14.193 4.242 1.00 23.54 H new ATOM 0 HG1 THR A 94 11.105 -13.483 6.182 1.00 61.53 H new ATOM 0 HG21 THR A 94 13.328 -12.859 6.041 1.00 5.23 H new ATOM 0 HG22 THR A 94 13.989 -12.489 4.430 1.00 5.23 H new ATOM 0 HG23 THR A 94 12.842 -11.367 5.200 1.00 5.23 H new ATOM 1320 N ILE A 95 12.535 -12.216 0.847 1.00 4.21 N ATOM 1321 CA ILE A 95 13.547 -12.174 -0.210 1.00 53.23 C ATOM 1322 C ILE A 95 14.811 -11.590 0.424 1.00 65.15 C ATOM 1323 O ILE A 95 14.682 -10.644 1.190 1.00 44.54 O ATOM 1324 CB ILE A 95 13.053 -11.318 -1.417 1.00 21.24 C ATOM 1325 CG1 ILE A 95 13.912 -11.526 -2.683 1.00 51.12 C ATOM 1326 CG2 ILE A 95 13.007 -9.811 -1.111 1.00 73.32 C ATOM 1327 CD1 ILE A 95 13.861 -12.957 -3.231 1.00 34.41 C ATOM 0 H ILE A 95 11.706 -11.666 0.624 1.00 4.21 H new ATOM 0 HA ILE A 95 13.747 -13.168 -0.610 1.00 53.23 H new ATOM 0 HB ILE A 95 12.039 -11.674 -1.601 1.00 21.24 H new ATOM 0 HG12 ILE A 95 13.575 -10.837 -3.458 1.00 51.12 H new ATOM 0 HG13 ILE A 95 14.947 -11.269 -2.456 1.00 51.12 H new ATOM 0 HG21 ILE A 95 12.655 -9.272 -1.991 1.00 73.32 H new ATOM 0 HG22 ILE A 95 12.327 -9.629 -0.278 1.00 73.32 H new ATOM 0 HG23 ILE A 95 14.006 -9.463 -0.847 1.00 73.32 H new ATOM 0 HD11 ILE A 95 14.488 -13.029 -4.120 1.00 34.41 H new ATOM 0 HD12 ILE A 95 14.226 -13.650 -2.473 1.00 34.41 H new ATOM 0 HD13 ILE A 95 12.833 -13.211 -3.490 1.00 34.41 H new ATOM 1338 N ASP A 96 16.011 -12.079 0.114 1.00 62.44 N ATOM 1339 CA ASP A 96 17.286 -11.451 0.507 1.00 42.23 C ATOM 1340 C ASP A 96 17.376 -11.062 1.998 1.00 0.24 C ATOM 1341 O ASP A 96 17.922 -10.017 2.361 1.00 52.31 O ATOM 1342 CB ASP A 96 17.564 -10.255 -0.426 1.00 3.10 C ATOM 1343 CG ASP A 96 19.014 -9.773 -0.334 1.00 11.31 C ATOM 1344 OD1 ASP A 96 19.940 -10.617 -0.358 1.00 72.25 O ATOM 1345 OD2 ASP A 96 19.250 -8.543 -0.358 1.00 42.33 O ATOM 0 H ASP A 96 16.134 -12.936 -0.426 1.00 62.44 H new ATOM 0 HA ASP A 96 18.067 -12.202 0.389 1.00 42.23 H new ATOM 0 HB2 ASP A 96 17.342 -10.540 -1.455 1.00 3.10 H new ATOM 0 HB3 ASP A 96 16.893 -9.434 -0.171 1.00 3.10 H new ATOM 1349 N GLY A 97 16.756 -11.852 2.880 1.00 13.11 N ATOM 1350 CA GLY A 97 16.692 -11.563 4.313 1.00 52.32 C ATOM 1351 C GLY A 97 15.897 -10.292 4.655 1.00 35.10 C ATOM 1352 O GLY A 97 16.136 -9.657 5.686 1.00 20.24 O ATOM 0 H GLY A 97 16.282 -12.716 2.616 1.00 13.11 H new ATOM 0 HA2 GLY A 97 16.240 -12.412 4.826 1.00 52.32 H new ATOM 0 HA3 GLY A 97 17.706 -11.461 4.699 1.00 52.32 H new ATOM 1356 N LYS A 98 14.980 -9.850 3.784 1.00 63.21 N ATOM 1357 CA LYS A 98 14.282 -8.571 3.901 1.00 2.12 C ATOM 1358 C LYS A 98 12.984 -8.743 4.647 1.00 74.32 C ATOM 1359 O LYS A 98 11.960 -9.139 4.070 1.00 42.53 O ATOM 1360 CB LYS A 98 14.016 -7.928 2.535 1.00 12.13 C ATOM 1361 CG LYS A 98 15.327 -7.574 1.851 1.00 73.44 C ATOM 1362 CD LYS A 98 15.950 -6.313 2.474 1.00 25.43 C ATOM 1363 CE LYS A 98 17.472 -6.260 2.392 1.00 21.24 C ATOM 1364 NZ LYS A 98 18.154 -7.353 3.120 1.00 71.41 N ATOM 0 H LYS A 98 14.700 -10.386 2.963 1.00 63.21 H new ATOM 0 HA LYS A 98 14.936 -7.902 4.460 1.00 2.12 H new ATOM 0 HB2 LYS A 98 13.445 -8.613 1.908 1.00 12.13 H new ATOM 0 HB3 LYS A 98 13.410 -7.031 2.660 1.00 12.13 H new ATOM 0 HG2 LYS A 98 16.023 -8.408 1.937 1.00 73.44 H new ATOM 0 HG3 LYS A 98 15.154 -7.411 0.787 1.00 73.44 H new ATOM 0 HD2 LYS A 98 15.540 -5.435 1.975 1.00 25.43 H new ATOM 0 HD3 LYS A 98 15.652 -6.253 3.521 1.00 25.43 H new ATOM 0 HE2 LYS A 98 17.770 -6.294 1.344 1.00 21.24 H new ATOM 0 HE3 LYS A 98 17.814 -5.304 2.790 1.00 21.24 H new ATOM 0 HZ1 LYS A 98 19.170 -7.141 3.192 1.00 71.41 H new ATOM 0 HZ2 LYS A 98 17.750 -7.439 4.074 1.00 71.41 H new ATOM 0 HZ3 LYS A 98 18.022 -8.248 2.606 1.00 71.41 H new ATOM 1374 N THR A 99 13.047 -8.382 5.917 1.00 71.11 N ATOM 1375 CA THR A 99 11.854 -8.063 6.679 1.00 14.12 C ATOM 1376 C THR A 99 11.429 -6.626 6.347 1.00 4.30 C ATOM 1377 O THR A 99 12.023 -5.964 5.492 1.00 44.44 O ATOM 1378 CB THR A 99 12.060 -8.367 8.169 1.00 0.14 C ATOM 1379 OG1 THR A 99 13.258 -7.830 8.694 1.00 33.34 O ATOM 1380 CG2 THR A 99 12.113 -9.879 8.389 1.00 23.23 C ATOM 0 H THR A 99 13.917 -8.302 6.444 1.00 71.11 H new ATOM 0 HA THR A 99 11.017 -8.701 6.396 1.00 14.12 H new ATOM 0 HB THR A 99 11.217 -7.904 8.683 1.00 0.14 H new ATOM 0 HG1 THR A 99 13.329 -8.057 9.645 1.00 33.34 H new ATOM 0 HG21 THR A 99 12.259 -10.088 9.449 1.00 23.23 H new ATOM 0 HG22 THR A 99 11.177 -10.328 8.057 1.00 23.23 H new ATOM 0 HG23 THR A 99 12.940 -10.301 7.819 1.00 23.23 H new ATOM 1388 N ILE A 100 10.355 -6.150 6.967 1.00 13.40 N ATOM 1389 CA ILE A 100 9.566 -5.027 6.493 1.00 3.01 C ATOM 1390 C ILE A 100 9.355 -4.141 7.725 1.00 20.15 C ATOM 1391 O ILE A 100 8.866 -4.606 8.755 1.00 24.44 O ATOM 1392 CB ILE A 100 8.254 -5.586 5.897 1.00 20.35 C ATOM 1393 CG1 ILE A 100 8.426 -6.758 4.893 1.00 51.34 C ATOM 1394 CG2 ILE A 100 7.352 -4.529 5.253 1.00 31.23 C ATOM 1395 CD1 ILE A 100 9.145 -6.419 3.581 1.00 0.13 C ATOM 0 H ILE A 100 10.002 -6.548 7.837 1.00 13.40 H new ATOM 0 HA ILE A 100 10.035 -4.438 5.705 1.00 3.01 H new ATOM 0 HB ILE A 100 7.768 -5.976 6.791 1.00 20.35 H new ATOM 0 HG12 ILE A 100 8.976 -7.558 5.389 1.00 51.34 H new ATOM 0 HG13 ILE A 100 7.439 -7.152 4.652 1.00 51.34 H new ATOM 0 HG21 ILE A 100 6.454 -5.007 4.861 1.00 31.23 H new ATOM 0 HG22 ILE A 100 7.071 -3.787 6.000 1.00 31.23 H new ATOM 0 HG23 ILE A 100 7.888 -4.040 4.439 1.00 31.23 H new ATOM 0 HD11 ILE A 100 9.207 -7.312 2.959 1.00 0.13 H new ATOM 0 HD12 ILE A 100 8.589 -5.646 3.051 1.00 0.13 H new ATOM 0 HD13 ILE A 100 10.150 -6.058 3.800 1.00 0.13 H new ATOM 1406 N ASN A 101 9.765 -2.878 7.635 1.00 13.03 N ATOM 1407 CA ASN A 101 9.514 -1.846 8.648 1.00 0.43 C ATOM 1408 C ASN A 101 8.028 -1.455 8.649 1.00 11.24 C ATOM 1409 O ASN A 101 7.210 -2.052 7.943 1.00 64.24 O ATOM 1410 CB ASN A 101 10.373 -0.575 8.416 1.00 74.31 C ATOM 1411 CG ASN A 101 10.811 0.051 9.746 1.00 72.34 C ATOM 1412 OD1 ASN A 101 10.152 -0.100 10.767 1.00 15.43 O ATOM 1413 ND2 ASN A 101 11.941 0.731 9.810 1.00 65.13 N ATOM 0 H ASN A 101 10.295 -2.531 6.836 1.00 13.03 H new ATOM 0 HA ASN A 101 9.793 -2.272 9.612 1.00 0.43 H new ATOM 0 HB2 ASN A 101 11.252 -0.831 7.825 1.00 74.31 H new ATOM 0 HB3 ASN A 101 9.802 0.153 7.840 1.00 74.31 H new ATOM 0 HD21 ASN A 101 12.252 1.121 10.700 1.00 65.13 H new ATOM 0 HD22 ASN A 101 12.503 0.867 8.970 1.00 65.13 H new ATOM 1419 N VAL A 102 7.667 -0.418 9.388 1.00 12.44 N ATOM 1420 CA VAL A 102 6.424 0.314 9.316 1.00 0.44 C ATOM 1421 C VAL A 102 6.717 1.786 9.606 1.00 11.22 C ATOM 1422 O VAL A 102 7.528 2.104 10.477 1.00 74.14 O ATOM 1423 CB VAL A 102 5.421 -0.346 10.272 1.00 14.40 C ATOM 1424 CG1 VAL A 102 6.022 -0.705 11.629 1.00 64.51 C ATOM 1425 CG2 VAL A 102 4.216 0.577 10.490 1.00 32.15 C ATOM 0 H VAL A 102 8.286 -0.042 10.106 1.00 12.44 H new ATOM 0 HA VAL A 102 5.967 0.284 8.327 1.00 0.44 H new ATOM 0 HB VAL A 102 5.116 -1.277 9.795 1.00 14.40 H new ATOM 0 HG11 VAL A 102 5.258 -1.167 12.254 1.00 64.51 H new ATOM 0 HG12 VAL A 102 6.847 -1.403 11.488 1.00 64.51 H new ATOM 0 HG13 VAL A 102 6.390 0.199 12.115 1.00 64.51 H new ATOM 0 HG21 VAL A 102 3.510 0.100 11.170 1.00 32.15 H new ATOM 0 HG22 VAL A 102 4.553 1.520 10.920 1.00 32.15 H new ATOM 0 HG23 VAL A 102 3.727 0.769 9.535 1.00 32.15 H new ATOM 1435 N GLU A 103 6.086 2.690 8.856 1.00 43.12 N ATOM 1436 CA GLU A 103 6.099 4.129 9.067 1.00 23.13 C ATOM 1437 C GLU A 103 4.825 4.703 8.417 1.00 32.33 C ATOM 1438 O GLU A 103 4.099 3.975 7.731 1.00 44.35 O ATOM 1439 CB GLU A 103 7.416 4.699 8.492 1.00 20.55 C ATOM 1440 CG GLU A 103 7.615 6.211 8.661 1.00 73.45 C ATOM 1441 CD GLU A 103 7.333 6.668 10.092 1.00 4.14 C ATOM 1442 OE1 GLU A 103 7.949 6.084 11.014 1.00 41.11 O ATOM 1443 OE2 GLU A 103 6.423 7.514 10.268 1.00 1.42 O ATOM 0 H GLU A 103 5.526 2.421 8.047 1.00 43.12 H new ATOM 0 HA GLU A 103 6.081 4.408 10.121 1.00 23.13 H new ATOM 0 HB2 GLU A 103 8.251 4.186 8.968 1.00 20.55 H new ATOM 0 HB3 GLU A 103 7.460 4.462 7.429 1.00 20.55 H new ATOM 0 HG2 GLU A 103 8.638 6.475 8.391 1.00 73.45 H new ATOM 0 HG3 GLU A 103 6.957 6.743 7.974 1.00 73.45 H new ATOM 1448 N PHE A 104 4.520 5.986 8.628 1.00 23.43 N ATOM 1449 CA PHE A 104 3.236 6.587 8.305 1.00 32.21 C ATOM 1450 C PHE A 104 3.480 7.838 7.466 1.00 72.15 C ATOM 1451 O PHE A 104 3.966 8.855 7.967 1.00 33.40 O ATOM 1452 CB PHE A 104 2.522 6.899 9.625 1.00 71.55 C ATOM 1453 CG PHE A 104 1.010 6.991 9.610 1.00 55.03 C ATOM 1454 CD1 PHE A 104 0.286 7.151 8.413 1.00 12.32 C ATOM 1455 CD2 PHE A 104 0.318 6.982 10.837 1.00 11.43 C ATOM 1456 CE1 PHE A 104 -1.107 7.291 8.454 1.00 60.23 C ATOM 1457 CE2 PHE A 104 -1.072 7.135 10.875 1.00 60.23 C ATOM 1458 CZ PHE A 104 -1.785 7.291 9.683 1.00 35.55 C ATOM 0 H PHE A 104 5.180 6.647 9.039 1.00 23.43 H new ATOM 0 HA PHE A 104 2.604 5.919 7.721 1.00 32.21 H new ATOM 0 HB2 PHE A 104 2.803 6.132 10.346 1.00 71.55 H new ATOM 0 HB3 PHE A 104 2.911 7.846 9.999 1.00 71.55 H new ATOM 0 HD1 PHE A 104 0.804 7.166 7.465 1.00 12.32 H new ATOM 0 HD2 PHE A 104 0.867 6.856 11.759 1.00 11.43 H new ATOM 0 HE1 PHE A 104 -1.663 7.400 7.534 1.00 60.23 H new ATOM 0 HE2 PHE A 104 -1.592 7.133 11.822 1.00 60.23 H new ATOM 0 HZ PHE A 104 -2.858 7.412 9.708 1.00 35.55 H new ATOM 1467 N ALA A 105 3.150 7.781 6.180 1.00 13.03 N ATOM 1468 CA ALA A 105 3.303 8.882 5.222 1.00 11.53 C ATOM 1469 C ALA A 105 1.970 9.617 5.023 1.00 73.14 C ATOM 1470 O ALA A 105 1.449 9.722 3.911 1.00 72.21 O ATOM 1471 CB ALA A 105 3.871 8.353 3.901 1.00 43.22 C ATOM 0 H ALA A 105 2.755 6.941 5.757 1.00 13.03 H new ATOM 0 HA ALA A 105 4.011 9.608 5.621 1.00 11.53 H new ATOM 0 HB1 ALA A 105 3.981 9.177 3.196 1.00 43.22 H new ATOM 0 HB2 ALA A 105 4.844 7.896 4.080 1.00 43.22 H new ATOM 0 HB3 ALA A 105 3.192 7.608 3.485 1.00 43.22 H new ATOM 1477 N LYS A 106 1.403 10.126 6.114 1.00 3.42 N ATOM 1478 CA LYS A 106 0.274 11.040 6.106 1.00 23.50 C ATOM 1479 C LYS A 106 0.757 12.470 5.811 1.00 24.43 C ATOM 1480 O LYS A 106 1.863 12.671 5.302 1.00 72.51 O ATOM 1481 CB LYS A 106 -0.512 10.897 7.419 1.00 23.40 C ATOM 1482 CG LYS A 106 0.191 11.387 8.701 1.00 11.22 C ATOM 1483 CD LYS A 106 0.926 10.253 9.407 1.00 0.55 C ATOM 1484 CE LYS A 106 1.630 10.664 10.701 1.00 63.33 C ATOM 1485 NZ LYS A 106 0.692 10.746 11.836 1.00 2.45 N ATOM 0 H LYS A 106 1.730 9.904 7.054 1.00 3.42 H new ATOM 0 HA LYS A 106 -0.422 10.791 5.305 1.00 23.50 H new ATOM 0 HB2 LYS A 106 -1.450 11.442 7.315 1.00 23.40 H new ATOM 0 HB3 LYS A 106 -0.767 9.845 7.551 1.00 23.40 H new ATOM 0 HG2 LYS A 106 0.897 12.178 8.449 1.00 11.22 H new ATOM 0 HG3 LYS A 106 -0.546 11.821 9.377 1.00 11.22 H new ATOM 0 HD2 LYS A 106 0.214 9.459 9.632 1.00 0.55 H new ATOM 0 HD3 LYS A 106 1.664 9.834 8.723 1.00 0.55 H new ATOM 0 HE2 LYS A 106 2.416 9.944 10.931 1.00 63.33 H new ATOM 0 HE3 LYS A 106 2.114 11.630 10.560 1.00 63.33 H new ATOM 0 HZ1 LYS A 106 1.209 11.027 12.694 1.00 2.45 H new ATOM 0 HZ2 LYS A 106 -0.044 11.451 11.628 1.00 2.45 H new ATOM 0 HZ3 LYS A 106 0.249 9.818 11.988 1.00 2.45 H new