USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 28 ASN : amide:sc= 0.667 K(o=0.66,f=-1) USER MOD Set 1.2: A 48 MET CE :methyl -174:sc= -0.184 (180deg=-0.238) USER MOD Set 1.3: A 58 ASN : amide:sc= 0.177 K(o=0.66,f=-1) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.37) USER MOD Single : A 30 MET CE :methyl 163:sc= 0 (180deg=-0.538) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -167:sc= -0.232 (180deg=-0.953) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= 1.28 (180deg=0.824) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.11) USER MOD Single : A 53 GLN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.472 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0431 X(o=-0.043,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.070 6.401 13.925 1.00 0.00 N ATOM 331 CA ASP A 23 -14.748 5.323 14.667 1.00 0.00 C ATOM 332 C ASP A 23 -14.003 3.972 14.582 1.00 0.00 C ATOM 333 O ASP A 23 -14.102 3.139 15.487 1.00 0.00 O ATOM 334 CB ASP A 23 -16.196 5.188 14.184 1.00 0.00 C ATOM 335 CG ASP A 23 -16.992 6.495 14.340 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.070 7.033 15.468 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.552 6.981 13.328 1.00 0.00 O ATOM 0 HA ASP A 23 -14.745 5.602 15.721 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.200 4.887 13.137 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.691 4.396 14.746 1.00 0.00 H new ATOM 342 N THR A 24 -13.169 3.788 13.555 1.00 0.00 N ATOM 343 CA THR A 24 -12.196 2.694 13.430 1.00 0.00 C ATOM 344 C THR A 24 -11.233 2.599 14.628 1.00 0.00 C ATOM 345 O THR A 24 -10.835 1.495 14.998 1.00 0.00 O ATOM 346 CB THR A 24 -11.421 2.814 12.105 1.00 0.00 C ATOM 347 OG1 THR A 24 -12.319 2.758 11.018 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.391 1.698 11.899 1.00 0.00 C ATOM 0 H THR A 24 -13.151 4.421 12.755 1.00 0.00 H new ATOM 0 HA THR A 24 -12.766 1.765 13.427 1.00 0.00 H new ATOM 0 HB THR A 24 -10.894 3.767 12.155 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.821 2.837 10.178 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.882 1.844 10.946 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.661 1.723 12.708 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.897 0.732 11.896 1.00 0.00 H new ATOM 356 N ILE A 25 -10.909 3.713 15.300 1.00 0.00 N ATOM 357 CA ILE A 25 -10.108 3.738 16.540 1.00 0.00 C ATOM 358 C ILE A 25 -10.783 2.908 17.647 1.00 0.00 C ATOM 359 O ILE A 25 -10.113 2.147 18.347 1.00 0.00 O ATOM 360 CB ILE A 25 -9.853 5.199 16.998 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.011 5.962 15.942 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.158 5.253 18.370 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.005 7.483 16.104 1.00 0.00 C ATOM 0 H ILE A 25 -11.200 4.641 14.994 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.140 3.281 16.333 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.824 5.684 17.097 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.983 5.602 15.988 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.390 5.718 14.950 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.997 6.293 18.656 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.786 4.765 19.115 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.198 4.740 18.312 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.391 7.930 15.322 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.024 7.861 16.026 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.595 7.743 17.080 1.00 0.00 H new ATOM 375 N PHE A 26 -12.107 3.028 17.794 1.00 0.00 N ATOM 376 CA PHE A 26 -12.886 2.270 18.777 1.00 0.00 C ATOM 377 C PHE A 26 -13.117 0.809 18.345 1.00 0.00 C ATOM 378 O PHE A 26 -12.993 -0.099 19.170 1.00 0.00 O ATOM 379 CB PHE A 26 -14.209 3.007 19.043 1.00 0.00 C ATOM 380 CG PHE A 26 -15.108 2.398 20.111 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.574 1.918 21.326 1.00 0.00 C ATOM 382 CD2 PHE A 26 -16.501 2.338 19.901 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.417 1.359 22.302 1.00 0.00 C ATOM 384 CE2 PHE A 26 -17.345 1.787 20.883 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.803 1.291 22.081 1.00 0.00 C ATOM 0 H PHE A 26 -12.673 3.660 17.228 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.316 2.212 19.704 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.979 4.033 19.331 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.769 3.056 18.109 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -13.511 1.981 21.507 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.922 2.717 18.982 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.999 0.981 23.223 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.411 1.745 20.716 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.450 0.859 22.830 1.00 0.00 H new ATOM 395 N GLN A 27 -13.418 0.557 17.062 1.00 0.00 N ATOM 396 CA GLN A 27 -13.711 -0.799 16.561 1.00 0.00 C ATOM 397 C GLN A 27 -12.487 -1.744 16.530 1.00 0.00 C ATOM 398 O GLN A 27 -12.659 -2.964 16.484 1.00 0.00 O ATOM 399 CB GLN A 27 -14.428 -0.725 15.191 1.00 0.00 C ATOM 400 CG GLN A 27 -13.518 -0.883 13.956 1.00 0.00 C ATOM 401 CD GLN A 27 -14.193 -0.532 12.627 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.366 -0.192 12.534 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.465 -0.597 11.531 1.00 0.00 N ATOM 0 H GLN A 27 -13.466 1.281 16.345 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.386 -1.255 17.285 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.193 -1.501 15.159 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.943 0.233 15.121 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.640 -0.249 14.083 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.164 -1.913 13.909 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.486 -0.878 11.585 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.880 -0.366 10.628 1.00 0.00 H new ATOM 412 N ASN A 28 -11.262 -1.200 16.538 1.00 0.00 N ATOM 413 CA ASN A 28 -10.016 -1.924 16.265 1.00 0.00 C ATOM 414 C ASN A 28 -8.962 -1.682 17.378 1.00 0.00 C ATOM 415 O ASN A 28 -8.233 -0.688 17.327 1.00 0.00 O ATOM 416 CB ASN A 28 -9.541 -1.540 14.842 1.00 0.00 C ATOM 417 CG ASN A 28 -9.270 -2.755 13.982 1.00 0.00 C ATOM 418 OD1 ASN A 28 -10.097 -3.169 13.183 1.00 0.00 O ATOM 419 ND2 ASN A 28 -8.120 -3.371 14.120 1.00 0.00 N ATOM 0 H ASN A 28 -11.108 -0.212 16.741 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.180 -3.001 16.284 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.299 -0.920 14.363 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.635 -0.938 14.913 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.914 -4.198 13.560 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.432 -3.023 14.788 1.00 0.00 H new ATOM 426 N PRO A 29 -8.837 -2.563 18.395 1.00 0.00 N ATOM 427 CA PRO A 29 -8.008 -2.311 19.587 1.00 0.00 C ATOM 428 C PRO A 29 -6.496 -2.261 19.307 1.00 0.00 C ATOM 429 O PRO A 29 -5.738 -1.672 20.079 1.00 0.00 O ATOM 430 CB PRO A 29 -8.362 -3.432 20.570 1.00 0.00 C ATOM 431 CG PRO A 29 -8.813 -4.575 19.664 1.00 0.00 C ATOM 432 CD PRO A 29 -9.512 -3.849 18.517 1.00 0.00 C ATOM 0 HA PRO A 29 -8.224 -1.320 19.985 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.504 -3.717 21.178 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.153 -3.129 21.256 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.969 -5.168 19.312 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.488 -5.257 20.181 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.439 -4.419 17.591 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.573 -3.716 18.727 1.00 0.00 H new ATOM 440 N MET A 30 -6.056 -2.810 18.169 1.00 0.00 N ATOM 441 CA MET A 30 -4.685 -2.705 17.647 1.00 0.00 C ATOM 442 C MET A 30 -4.244 -1.250 17.406 1.00 0.00 C ATOM 443 O MET A 30 -3.047 -0.959 17.419 1.00 0.00 O ATOM 444 CB MET A 30 -4.590 -3.490 16.330 1.00 0.00 C ATOM 445 CG MET A 30 -4.832 -4.995 16.503 1.00 0.00 C ATOM 446 SD MET A 30 -5.095 -5.921 14.961 1.00 0.00 S ATOM 447 CE MET A 30 -3.633 -5.448 13.999 1.00 0.00 C ATOM 0 H MET A 30 -6.665 -3.360 17.563 1.00 0.00 H new ATOM 0 HA MET A 30 -4.017 -3.120 18.401 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.318 -3.091 15.624 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.603 -3.335 15.893 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.978 -5.426 17.025 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.702 -5.135 17.145 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.496 -6.150 13.176 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.770 -4.443 13.600 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.753 -5.466 14.642 1.00 0.00 H new ATOM 457 N VAL A 31 -5.194 -0.323 17.218 1.00 0.00 N ATOM 458 CA VAL A 31 -4.925 1.112 17.053 1.00 0.00 C ATOM 459 C VAL A 31 -4.247 1.685 18.299 1.00 0.00 C ATOM 460 O VAL A 31 -3.125 2.171 18.202 1.00 0.00 O ATOM 461 CB VAL A 31 -6.205 1.889 16.690 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.973 3.403 16.671 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.708 1.477 15.300 1.00 0.00 C ATOM 0 H VAL A 31 -6.187 -0.553 17.176 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.235 1.230 16.217 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.940 1.647 17.457 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.902 3.910 16.410 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.643 3.733 17.656 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.208 3.645 15.933 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.613 2.036 15.060 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.940 1.693 14.557 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.929 0.410 15.295 1.00 0.00 H new ATOM 473 N GLN A 32 -4.885 1.579 19.470 1.00 0.00 N ATOM 474 CA GLN A 32 -4.372 2.060 20.764 1.00 0.00 C ATOM 475 C GLN A 32 -2.908 1.646 20.995 1.00 0.00 C ATOM 476 O GLN A 32 -2.054 2.467 21.335 1.00 0.00 O ATOM 477 CB GLN A 32 -5.251 1.492 21.896 1.00 0.00 C ATOM 478 CG GLN A 32 -6.698 2.011 21.917 1.00 0.00 C ATOM 479 CD GLN A 32 -6.801 3.402 22.536 1.00 0.00 C ATOM 480 OE1 GLN A 32 -6.842 4.415 21.853 1.00 0.00 O ATOM 481 NE2 GLN A 32 -6.836 3.505 23.849 1.00 0.00 N ATOM 0 H GLN A 32 -5.803 1.142 19.549 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.409 3.149 20.757 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.272 0.406 21.809 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.783 1.727 22.852 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.088 2.038 20.899 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.323 1.317 22.479 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.802 2.666 24.427 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.897 4.424 24.287 1.00 0.00 H new ATOM 490 N GLU A 33 -2.618 0.365 20.767 1.00 0.00 N ATOM 491 CA GLU A 33 -1.292 -0.246 20.872 1.00 0.00 C ATOM 492 C GLU A 33 -0.254 0.372 19.912 1.00 0.00 C ATOM 493 O GLU A 33 0.883 0.618 20.320 1.00 0.00 O ATOM 494 CB GLU A 33 -1.472 -1.761 20.670 1.00 0.00 C ATOM 495 CG GLU A 33 -0.177 -2.575 20.582 1.00 0.00 C ATOM 496 CD GLU A 33 0.814 -2.283 21.722 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.395 -2.094 22.890 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.030 -2.222 21.430 1.00 0.00 O ATOM 0 H GLU A 33 -3.334 -0.307 20.491 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.873 -0.047 21.859 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.070 -2.151 21.494 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.044 -1.922 19.756 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.424 -3.637 20.590 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.308 -2.368 19.628 1.00 0.00 H new ATOM 505 N ALA A 34 -0.622 0.684 18.666 1.00 0.00 N ATOM 506 CA ALA A 34 0.272 1.370 17.731 1.00 0.00 C ATOM 507 C ALA A 34 0.671 2.777 18.227 1.00 0.00 C ATOM 508 O ALA A 34 1.865 3.080 18.285 1.00 0.00 O ATOM 509 CB ALA A 34 -0.363 1.393 16.339 1.00 0.00 C ATOM 0 H ALA A 34 -1.541 0.470 18.280 1.00 0.00 H new ATOM 0 HA ALA A 34 1.207 0.812 17.670 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.303 1.904 15.644 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.529 0.371 15.998 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.316 1.920 16.382 1.00 0.00 H new ATOM 515 N ILE A 35 -0.283 3.622 18.657 1.00 0.00 N ATOM 516 CA ILE A 35 0.050 4.918 19.292 1.00 0.00 C ATOM 517 C ILE A 35 0.981 4.721 20.498 1.00 0.00 C ATOM 518 O ILE A 35 1.948 5.470 20.649 1.00 0.00 O ATOM 519 CB ILE A 35 -1.204 5.743 19.682 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.952 6.272 18.436 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.839 6.966 20.549 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.153 5.406 18.062 1.00 0.00 C ATOM 0 H ILE A 35 -1.283 3.437 18.579 1.00 0.00 H new ATOM 0 HA ILE A 35 0.579 5.502 18.539 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.841 5.059 20.244 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.288 7.292 18.624 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.262 6.314 17.593 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.745 7.517 20.801 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.352 6.631 21.465 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.161 7.616 19.995 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.642 5.822 17.181 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.817 4.392 17.845 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.859 5.385 18.892 1.00 0.00 H new ATOM 534 N ARG A 36 0.738 3.700 21.334 1.00 0.00 N ATOM 535 CA ARG A 36 1.529 3.418 22.545 1.00 0.00 C ATOM 536 C ARG A 36 3.032 3.231 22.280 1.00 0.00 C ATOM 537 O ARG A 36 3.835 3.684 23.093 1.00 0.00 O ATOM 538 CB ARG A 36 0.934 2.213 23.292 1.00 0.00 C ATOM 539 CG ARG A 36 1.315 2.229 24.780 1.00 0.00 C ATOM 540 CD ARG A 36 0.805 0.968 25.487 1.00 0.00 C ATOM 541 NE ARG A 36 0.749 1.133 26.954 1.00 0.00 N ATOM 542 CZ ARG A 36 1.741 1.204 27.826 1.00 0.00 C ATOM 543 NH1 ARG A 36 2.996 1.178 27.482 1.00 0.00 N ATOM 544 NH2 ARG A 36 1.480 1.311 29.096 1.00 0.00 N ATOM 0 H ARG A 36 -0.023 3.037 21.187 1.00 0.00 H new ATOM 0 HA ARG A 36 1.462 4.304 23.176 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.151 2.222 23.193 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.288 1.289 22.835 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.398 2.295 24.882 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.895 3.114 25.258 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.189 0.721 25.113 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.456 0.128 25.242 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.188 1.202 27.351 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.254 1.100 26.498 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.722 1.236 28.196 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.512 1.340 29.417 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.243 1.366 29.771 1.00 0.00 H new ATOM 558 N MET A 37 3.433 2.663 21.137 1.00 0.00 N ATOM 559 CA MET A 37 4.856 2.573 20.757 1.00 0.00 C ATOM 560 C MET A 37 5.512 3.937 20.460 1.00 0.00 C ATOM 561 O MET A 37 6.736 4.048 20.547 1.00 0.00 O ATOM 562 CB MET A 37 5.070 1.662 19.539 1.00 0.00 C ATOM 563 CG MET A 37 4.674 0.204 19.790 1.00 0.00 C ATOM 564 SD MET A 37 5.618 -1.045 18.860 1.00 0.00 S ATOM 565 CE MET A 37 5.713 -0.285 17.217 1.00 0.00 C ATOM 0 H MET A 37 2.794 2.256 20.454 1.00 0.00 H new ATOM 0 HA MET A 37 5.339 2.147 21.637 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.491 2.048 18.700 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.119 1.700 19.247 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.783 -0.004 20.854 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.617 0.087 19.549 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.054 -1.025 16.493 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.727 0.079 16.927 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.415 0.548 17.242 1.00 0.00 H new ATOM 575 N GLY A 38 4.726 4.969 20.126 1.00 0.00 N ATOM 576 CA GLY A 38 5.190 6.334 19.849 1.00 0.00 C ATOM 577 C GLY A 38 4.687 6.974 18.543 1.00 0.00 C ATOM 578 O GLY A 38 5.092 8.095 18.224 1.00 0.00 O ATOM 0 H GLY A 38 3.714 4.873 20.038 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.890 6.972 20.680 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.280 6.327 19.829 1.00 0.00 H new ATOM 582 N PHE A 39 3.831 6.293 17.775 1.00 0.00 N ATOM 583 CA PHE A 39 3.178 6.849 16.579 1.00 0.00 C ATOM 584 C PHE A 39 2.073 7.880 16.911 1.00 0.00 C ATOM 585 O PHE A 39 1.614 7.988 18.050 1.00 0.00 O ATOM 586 CB PHE A 39 2.579 5.696 15.767 1.00 0.00 C ATOM 587 CG PHE A 39 3.566 4.792 15.051 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.205 5.243 13.880 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.794 3.477 15.501 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.064 4.386 13.167 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.641 2.616 14.785 1.00 0.00 C ATOM 592 CZ PHE A 39 5.271 3.071 13.618 1.00 0.00 C ATOM 0 H PHE A 39 3.567 5.327 17.967 1.00 0.00 H new ATOM 0 HA PHE A 39 3.938 7.382 16.008 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.977 5.082 16.437 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.900 6.117 15.025 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.035 6.250 13.528 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.314 3.128 16.403 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.563 4.738 12.276 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.807 1.607 15.132 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.918 2.408 13.063 1.00 0.00 H new ATOM 602 N SER A 40 1.605 8.613 15.894 1.00 0.00 N ATOM 603 CA SER A 40 0.512 9.603 15.978 1.00 0.00 C ATOM 604 C SER A 40 -0.857 8.983 15.668 1.00 0.00 C ATOM 605 O SER A 40 -0.983 8.229 14.701 1.00 0.00 O ATOM 606 CB SER A 40 0.762 10.724 14.961 1.00 0.00 C ATOM 607 OG SER A 40 2.003 11.366 15.219 1.00 0.00 O ATOM 0 H SER A 40 1.988 8.534 14.952 1.00 0.00 H new ATOM 0 HA SER A 40 0.500 9.984 16.999 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.762 10.313 13.951 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.047 11.453 15.009 1.00 0.00 H new ATOM 0 HG SER A 40 2.147 12.077 14.560 1.00 0.00 H new ATOM 613 N PHE A 41 -1.907 9.357 16.416 1.00 0.00 N ATOM 614 CA PHE A 41 -3.292 8.886 16.214 1.00 0.00 C ATOM 615 C PHE A 41 -3.771 9.003 14.760 1.00 0.00 C ATOM 616 O PHE A 41 -4.274 8.027 14.198 1.00 0.00 O ATOM 617 CB PHE A 41 -4.263 9.620 17.163 1.00 0.00 C ATOM 618 CG PHE A 41 -4.647 8.836 18.403 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.594 7.798 18.306 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.068 9.138 19.652 1.00 0.00 C ATOM 621 CE1 PHE A 41 -5.948 7.056 19.448 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.426 8.395 20.792 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.361 7.352 20.690 1.00 0.00 C ATOM 0 H PHE A 41 -1.818 10.009 17.195 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.288 7.822 16.453 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.807 10.561 17.471 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.170 9.870 16.612 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.049 7.571 17.353 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.349 9.940 19.734 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.672 6.258 19.370 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.981 8.627 21.748 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.629 6.778 21.565 1.00 0.00 H new ATOM 633 N LYS A 42 -3.572 10.180 14.147 1.00 0.00 N ATOM 634 CA LYS A 42 -3.886 10.478 12.738 1.00 0.00 C ATOM 635 C LYS A 42 -3.299 9.432 11.788 1.00 0.00 C ATOM 636 O LYS A 42 -4.030 8.890 10.965 1.00 0.00 O ATOM 637 CB LYS A 42 -3.414 11.910 12.406 1.00 0.00 C ATOM 638 CG LYS A 42 -3.601 12.339 10.935 1.00 0.00 C ATOM 639 CD LYS A 42 -5.055 12.352 10.428 1.00 0.00 C ATOM 640 CE LYS A 42 -5.959 13.389 11.119 1.00 0.00 C ATOM 641 NZ LYS A 42 -5.602 14.786 10.748 1.00 0.00 N ATOM 0 H LYS A 42 -3.173 10.981 14.636 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.965 10.428 12.594 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.954 12.610 13.043 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.358 11.996 12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.182 13.337 10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.020 11.668 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.052 12.548 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.485 11.361 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.998 13.198 10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.882 13.272 12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.237 15.448 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.619 14.979 11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.700 14.908 9.720 1.00 0.00 H new ATOM 655 N ASP A 43 -2.009 9.123 11.915 1.00 0.00 N ATOM 656 CA ASP A 43 -1.326 8.141 11.061 1.00 0.00 C ATOM 657 C ASP A 43 -1.917 6.732 11.203 1.00 0.00 C ATOM 658 O ASP A 43 -2.138 6.065 10.190 1.00 0.00 O ATOM 659 CB ASP A 43 0.182 8.104 11.350 1.00 0.00 C ATOM 660 CG ASP A 43 0.921 9.392 10.947 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.520 10.054 9.960 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.931 9.726 11.610 1.00 0.00 O ATOM 0 H ASP A 43 -1.401 9.547 12.616 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.483 8.468 10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.335 7.926 12.414 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.624 7.261 10.819 1.00 0.00 H new ATOM 667 N ILE A 44 -2.210 6.283 12.431 1.00 0.00 N ATOM 668 CA ILE A 44 -2.780 4.946 12.657 1.00 0.00 C ATOM 669 C ILE A 44 -4.169 4.827 12.035 1.00 0.00 C ATOM 670 O ILE A 44 -4.431 3.895 11.271 1.00 0.00 O ATOM 671 CB ILE A 44 -2.850 4.543 14.145 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.594 4.859 14.976 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.126 3.030 14.209 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.281 4.502 14.293 1.00 0.00 C ATOM 0 H ILE A 44 -2.062 6.825 13.283 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.092 4.256 12.169 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.643 5.144 14.590 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.588 5.923 15.213 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.655 4.322 15.922 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.181 2.714 15.251 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.072 2.811 13.713 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.321 2.492 13.709 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.551 4.758 14.949 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.260 3.433 14.080 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.193 5.059 13.360 1.00 0.00 H new ATOM 686 N LYS A 45 -5.073 5.765 12.340 1.00 0.00 N ATOM 687 CA LYS A 45 -6.422 5.719 11.768 1.00 0.00 C ATOM 688 C LYS A 45 -6.399 5.866 10.238 1.00 0.00 C ATOM 689 O LYS A 45 -7.175 5.195 9.561 1.00 0.00 O ATOM 690 CB LYS A 45 -7.377 6.660 12.528 1.00 0.00 C ATOM 691 CG LYS A 45 -7.231 8.180 12.339 1.00 0.00 C ATOM 692 CD LYS A 45 -7.568 8.634 10.915 1.00 0.00 C ATOM 693 CE LYS A 45 -8.335 9.943 10.814 1.00 0.00 C ATOM 694 NZ LYS A 45 -8.582 10.216 9.378 1.00 0.00 N ATOM 0 H LYS A 45 -4.900 6.550 12.967 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.847 4.726 11.919 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.396 6.390 12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.270 6.449 13.592 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.884 8.694 13.044 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.209 8.475 12.578 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.639 8.732 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.152 7.852 10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.278 9.876 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.765 10.755 11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.515 10.661 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.847 10.856 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.558 9.323 8.846 1.00 0.00 H new ATOM 708 N LYS A 46 -5.465 6.663 9.691 1.00 0.00 N ATOM 709 CA LYS A 46 -5.280 6.883 8.248 1.00 0.00 C ATOM 710 C LYS A 46 -4.835 5.601 7.552 1.00 0.00 C ATOM 711 O LYS A 46 -5.461 5.189 6.576 1.00 0.00 O ATOM 712 CB LYS A 46 -4.317 8.059 7.998 1.00 0.00 C ATOM 713 CG LYS A 46 -4.158 8.388 6.503 1.00 0.00 C ATOM 714 CD LYS A 46 -3.591 9.799 6.262 1.00 0.00 C ATOM 715 CE LYS A 46 -2.138 9.990 6.726 1.00 0.00 C ATOM 716 NZ LYS A 46 -1.158 9.547 5.698 1.00 0.00 N ATOM 0 H LYS A 46 -4.799 7.187 10.258 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.239 7.158 7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.683 8.941 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.341 7.820 8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.499 7.652 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.127 8.301 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.652 10.024 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.222 10.523 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.968 11.041 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.975 9.429 7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.192 9.694 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.302 8.538 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.294 10.099 4.827 1.00 0.00 H new ATOM 730 N ILE A 47 -3.794 4.940 8.063 1.00 0.00 N ATOM 731 CA ILE A 47 -3.334 3.678 7.478 1.00 0.00 C ATOM 732 C ILE A 47 -4.385 2.565 7.607 1.00 0.00 C ATOM 733 O ILE A 47 -4.567 1.808 6.660 1.00 0.00 O ATOM 734 CB ILE A 47 -1.938 3.276 7.998 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.230 2.470 6.894 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.970 2.519 9.337 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.231 2.154 7.210 1.00 0.00 C ATOM 0 H ILE A 47 -3.258 5.253 8.872 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.212 3.839 6.407 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.378 4.184 8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.769 1.536 6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.278 3.029 5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.953 2.270 9.639 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.431 3.147 10.099 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.549 1.603 9.223 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.666 1.584 6.389 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.785 3.084 7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.286 1.568 8.127 1.00 0.00 H new ATOM 749 N MET A 48 -5.132 2.501 8.716 1.00 0.00 N ATOM 750 CA MET A 48 -6.273 1.591 8.890 1.00 0.00 C ATOM 751 C MET A 48 -7.364 1.810 7.830 1.00 0.00 C ATOM 752 O MET A 48 -7.715 0.865 7.119 1.00 0.00 O ATOM 753 CB MET A 48 -6.856 1.729 10.305 1.00 0.00 C ATOM 754 CG MET A 48 -6.026 0.993 11.362 1.00 0.00 C ATOM 755 SD MET A 48 -6.809 -0.539 11.937 1.00 0.00 S ATOM 756 CE MET A 48 -5.437 -1.285 12.847 1.00 0.00 C ATOM 0 H MET A 48 -4.959 3.089 9.531 1.00 0.00 H new ATOM 0 HA MET A 48 -5.900 0.576 8.756 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.916 2.785 10.567 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.874 1.340 10.313 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.045 0.760 10.948 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.864 1.654 12.214 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.719 -2.285 13.176 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.563 -1.349 12.199 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.200 -0.671 13.716 1.00 0.00 H new ATOM 766 N GLU A 49 -7.907 3.029 7.705 1.00 0.00 N ATOM 767 CA GLU A 49 -8.971 3.315 6.729 1.00 0.00 C ATOM 768 C GLU A 49 -8.515 3.079 5.275 1.00 0.00 C ATOM 769 O GLU A 49 -9.258 2.469 4.504 1.00 0.00 O ATOM 770 CB GLU A 49 -9.623 4.697 6.957 1.00 0.00 C ATOM 771 CG GLU A 49 -8.761 5.918 6.611 1.00 0.00 C ATOM 772 CD GLU A 49 -9.458 7.251 6.952 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.559 7.526 6.414 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.883 8.065 7.718 1.00 0.00 O ATOM 0 H GLU A 49 -7.628 3.833 8.267 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.764 2.588 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.538 4.746 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.915 4.769 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.817 5.857 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.521 5.899 5.548 1.00 0.00 H new ATOM 781 N GLU A 50 -7.282 3.455 4.906 1.00 0.00 N ATOM 782 CA GLU A 50 -6.705 3.137 3.590 1.00 0.00 C ATOM 783 C GLU A 50 -6.491 1.629 3.375 1.00 0.00 C ATOM 784 O GLU A 50 -6.873 1.117 2.323 1.00 0.00 O ATOM 785 CB GLU A 50 -5.398 3.918 3.344 1.00 0.00 C ATOM 786 CG GLU A 50 -5.576 5.123 2.407 1.00 0.00 C ATOM 787 CD GLU A 50 -6.598 6.165 2.908 1.00 0.00 C ATOM 788 OE1 GLU A 50 -7.796 6.066 2.545 1.00 0.00 O ATOM 789 OE2 GLU A 50 -6.196 7.129 3.603 1.00 0.00 O ATOM 0 H GLU A 50 -6.656 3.988 5.510 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.442 3.457 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.005 4.265 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.654 3.243 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.611 5.612 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.890 4.764 1.427 1.00 0.00 H new ATOM 796 N LYS A 51 -5.929 0.888 4.343 1.00 0.00 N ATOM 797 CA LYS A 51 -5.726 -0.572 4.253 1.00 0.00 C ATOM 798 C LYS A 51 -7.035 -1.297 3.956 1.00 0.00 C ATOM 799 O LYS A 51 -7.106 -2.062 2.995 1.00 0.00 O ATOM 800 CB LYS A 51 -5.083 -1.102 5.549 1.00 0.00 C ATOM 801 CG LYS A 51 -4.713 -2.596 5.514 1.00 0.00 C ATOM 802 CD LYS A 51 -3.515 -2.875 4.591 1.00 0.00 C ATOM 803 CE LYS A 51 -2.876 -4.226 4.929 1.00 0.00 C ATOM 804 NZ LYS A 51 -1.534 -4.365 4.303 1.00 0.00 N ATOM 0 H LYS A 51 -5.598 1.288 5.221 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.048 -0.771 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.183 -0.523 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.771 -0.930 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.479 -2.935 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.573 -3.174 5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.842 -2.871 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.776 -2.081 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.787 -4.327 6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.524 -5.032 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.180 -5.332 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.605 -4.175 3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.877 -3.686 4.736 1.00 0.00 H new ATOM 818 N ILE A 52 -8.074 -1.032 4.750 1.00 0.00 N ATOM 819 CA ILE A 52 -9.405 -1.628 4.575 1.00 0.00 C ATOM 820 C ILE A 52 -10.016 -1.218 3.221 1.00 0.00 C ATOM 821 O ILE A 52 -10.519 -2.080 2.500 1.00 0.00 O ATOM 822 CB ILE A 52 -10.315 -1.291 5.780 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.767 -1.913 7.090 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.739 -1.835 5.540 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.301 -1.242 8.365 1.00 0.00 C ATOM 0 H ILE A 52 -8.017 -0.391 5.542 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.309 -2.714 4.551 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.336 -0.206 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.023 -2.972 7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.679 -1.848 7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.370 -1.592 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.155 -1.381 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.699 -2.917 5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.873 -1.731 9.240 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.022 -0.188 8.366 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.387 -1.330 8.395 1.00 0.00 H new ATOM 837 N GLN A 53 -9.938 0.061 2.831 1.00 0.00 N ATOM 838 CA GLN A 53 -10.463 0.565 1.554 1.00 0.00 C ATOM 839 C GLN A 53 -9.780 -0.057 0.317 1.00 0.00 C ATOM 840 O GLN A 53 -10.463 -0.397 -0.652 1.00 0.00 O ATOM 841 CB GLN A 53 -10.350 2.103 1.542 1.00 0.00 C ATOM 842 CG GLN A 53 -10.861 2.795 0.266 1.00 0.00 C ATOM 843 CD GLN A 53 -12.350 2.563 0.006 1.00 0.00 C ATOM 844 OE1 GLN A 53 -13.215 3.312 0.445 1.00 0.00 O ATOM 845 NE2 GLN A 53 -12.712 1.522 -0.716 1.00 0.00 N ATOM 0 H GLN A 53 -9.502 0.786 3.402 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.508 0.264 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.903 2.497 2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.304 2.374 1.688 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.676 3.866 0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.289 2.433 -0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.004 0.889 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.700 1.349 -0.902 1.00 0.00 H new ATOM 854 N ILE A 54 -8.449 -0.179 0.325 1.00 0.00 N ATOM 855 CA ILE A 54 -7.637 -0.684 -0.796 1.00 0.00 C ATOM 856 C ILE A 54 -7.628 -2.224 -0.843 1.00 0.00 C ATOM 857 O ILE A 54 -7.901 -2.809 -1.894 1.00 0.00 O ATOM 858 CB ILE A 54 -6.204 -0.094 -0.713 1.00 0.00 C ATOM 859 CG1 ILE A 54 -6.183 1.452 -0.846 1.00 0.00 C ATOM 860 CG2 ILE A 54 -5.254 -0.716 -1.752 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.568 2.023 -2.219 1.00 0.00 C ATOM 0 H ILE A 54 -7.886 0.078 1.135 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.088 -0.354 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.846 -0.353 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.860 1.869 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.181 1.803 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.264 -0.270 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.186 -1.791 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.638 -0.528 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.516 3.111 -2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.878 1.648 -2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.583 1.715 -2.469 1.00 0.00 H new ATOM 873 N SER A 55 -7.305 -2.890 0.272 1.00 0.00 N ATOM 874 CA SER A 55 -7.106 -4.350 0.352 1.00 0.00 C ATOM 875 C SER A 55 -8.399 -5.149 0.587 1.00 0.00 C ATOM 876 O SER A 55 -8.476 -6.322 0.211 1.00 0.00 O ATOM 877 CB SER A 55 -6.105 -4.662 1.474 1.00 0.00 C ATOM 878 OG SER A 55 -5.547 -5.960 1.332 1.00 0.00 O ATOM 0 H SER A 55 -7.170 -2.421 1.168 1.00 0.00 H new ATOM 0 HA SER A 55 -6.726 -4.663 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.307 -3.920 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.604 -4.584 2.440 1.00 0.00 H new ATOM 0 HG SER A 55 -4.914 -6.125 2.061 1.00 0.00 H new ATOM 884 N GLY A 56 -9.421 -4.539 1.199 1.00 0.00 N ATOM 885 CA GLY A 56 -10.734 -5.144 1.473 1.00 0.00 C ATOM 886 C GLY A 56 -10.902 -5.769 2.869 1.00 0.00 C ATOM 887 O GLY A 56 -12.009 -6.193 3.211 1.00 0.00 O ATOM 0 H GLY A 56 -9.356 -3.576 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.500 -4.380 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.922 -5.914 0.725 1.00 0.00 H new ATOM 891 N SER A 57 -9.844 -5.826 3.686 1.00 0.00 N ATOM 892 CA SER A 57 -9.862 -6.334 5.071 1.00 0.00 C ATOM 893 C SER A 57 -8.890 -5.579 5.992 1.00 0.00 C ATOM 894 O SER A 57 -8.027 -4.826 5.530 1.00 0.00 O ATOM 895 CB SER A 57 -9.571 -7.846 5.090 1.00 0.00 C ATOM 896 OG SER A 57 -8.269 -8.152 4.608 1.00 0.00 O ATOM 0 H SER A 57 -8.919 -5.510 3.396 1.00 0.00 H new ATOM 0 HA SER A 57 -10.863 -6.158 5.464 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.676 -8.221 6.108 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.312 -8.364 4.481 1.00 0.00 H new ATOM 0 HG SER A 57 -8.128 -9.121 4.640 1.00 0.00 H new ATOM 902 N ASN A 58 -9.028 -5.771 7.307 1.00 0.00 N ATOM 903 CA ASN A 58 -8.157 -5.180 8.327 1.00 0.00 C ATOM 904 C ASN A 58 -6.792 -5.903 8.452 1.00 0.00 C ATOM 905 O ASN A 58 -6.607 -7.017 7.956 1.00 0.00 O ATOM 906 CB ASN A 58 -8.941 -5.171 9.656 1.00 0.00 C ATOM 907 CG ASN A 58 -8.232 -4.395 10.749 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.793 -4.931 11.755 1.00 0.00 O ATOM 909 ND2 ASN A 58 -8.034 -3.114 10.551 1.00 0.00 N ATOM 0 H ASN A 58 -9.765 -6.355 7.701 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.896 -4.162 8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.927 -4.737 9.489 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.097 -6.197 9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.514 -2.566 11.237 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.400 -2.665 9.711 1.00 0.00 H new ATOM 916 N TYR A 59 -5.844 -5.275 9.156 1.00 0.00 N ATOM 917 CA TYR A 59 -4.543 -5.838 9.536 1.00 0.00 C ATOM 918 C TYR A 59 -4.655 -7.156 10.329 1.00 0.00 C ATOM 919 O TYR A 59 -5.516 -7.307 11.198 1.00 0.00 O ATOM 920 CB TYR A 59 -3.770 -4.783 10.343 1.00 0.00 C ATOM 921 CG TYR A 59 -3.137 -3.727 9.463 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.973 -4.067 8.755 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.702 -2.443 9.317 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.375 -3.140 7.890 1.00 0.00 C ATOM 925 CE2 TYR A 59 -3.101 -1.507 8.452 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.945 -1.862 7.723 1.00 0.00 C ATOM 927 OH TYR A 59 -1.412 -0.999 6.821 1.00 0.00 O ATOM 0 H TYR A 59 -5.967 -4.320 9.491 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.008 -6.091 8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.447 -4.304 11.050 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.994 -5.276 10.929 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.536 -5.047 8.877 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.593 -2.178 9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.477 -3.405 7.351 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.524 -0.519 8.347 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.812 -1.485 6.218 1.00 0.00 H new ATOM 937 N LYS A 60 -3.748 -8.105 10.049 1.00 0.00 N ATOM 938 CA LYS A 60 -3.678 -9.424 10.710 1.00 0.00 C ATOM 939 C LYS A 60 -3.238 -9.324 12.178 1.00 0.00 C ATOM 940 O LYS A 60 -3.939 -9.799 13.073 1.00 0.00 O ATOM 941 CB LYS A 60 -2.747 -10.371 9.926 1.00 0.00 C ATOM 942 CG LYS A 60 -3.294 -10.710 8.526 1.00 0.00 C ATOM 943 CD LYS A 60 -2.513 -11.848 7.843 1.00 0.00 C ATOM 944 CE LYS A 60 -1.073 -11.470 7.463 1.00 0.00 C ATOM 945 NZ LYS A 60 -1.013 -10.645 6.224 1.00 0.00 N ATOM 0 H LYS A 60 -3.025 -7.977 9.341 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.687 -9.836 10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.765 -9.909 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.611 -11.292 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.343 -10.994 8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.253 -9.819 7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.489 -12.710 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.048 -12.155 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.615 -10.920 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.487 -12.378 7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.022 -10.415 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.425 -11.178 5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.550 -9.766 6.366 1.00 0.00 H new ATOM 959 N SER A 61 -2.081 -8.699 12.407 1.00 0.00 N ATOM 960 CA SER A 61 -1.429 -8.497 13.712 1.00 0.00 C ATOM 961 C SER A 61 -0.639 -7.183 13.724 1.00 0.00 C ATOM 962 O SER A 61 -0.421 -6.574 12.669 1.00 0.00 O ATOM 963 CB SER A 61 -0.466 -9.660 14.015 1.00 0.00 C ATOM 964 OG SER A 61 -1.127 -10.917 14.017 1.00 0.00 O ATOM 0 H SER A 61 -1.538 -8.295 11.644 1.00 0.00 H new ATOM 0 HA SER A 61 -2.208 -8.458 14.473 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.332 -9.672 13.272 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.004 -9.497 14.985 1.00 0.00 H new ATOM 0 HG SER A 61 -0.480 -11.627 14.212 1.00 0.00 H new ATOM 970 N LEU A 62 -0.161 -6.758 14.903 1.00 0.00 N ATOM 971 CA LEU A 62 0.651 -5.542 15.056 1.00 0.00 C ATOM 972 C LEU A 62 1.904 -5.567 14.173 1.00 0.00 C ATOM 973 O LEU A 62 2.268 -4.530 13.635 1.00 0.00 O ATOM 974 CB LEU A 62 1.056 -5.311 16.529 1.00 0.00 C ATOM 975 CG LEU A 62 -0.010 -4.768 17.499 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.653 -3.474 16.997 1.00 0.00 C ATOM 977 CD2 LEU A 62 -1.115 -5.775 17.813 1.00 0.00 C ATOM 0 H LEU A 62 -0.328 -7.250 15.781 1.00 0.00 H new ATOM 0 HA LEU A 62 0.022 -4.714 14.730 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.417 -6.259 16.928 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.898 -4.619 16.538 1.00 0.00 H new ATOM 0 HG LEU A 62 0.541 -4.566 18.417 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.397 -3.134 17.718 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.114 -2.709 16.879 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.135 -3.656 16.036 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.831 -5.326 18.502 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.625 -6.055 16.891 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.679 -6.663 18.271 1.00 0.00 H new ATOM 989 N GLU A 63 2.522 -6.734 13.963 1.00 0.00 N ATOM 990 CA GLU A 63 3.700 -6.918 13.097 1.00 0.00 C ATOM 991 C GLU A 63 3.520 -6.288 11.705 1.00 0.00 C ATOM 992 O GLU A 63 4.370 -5.522 11.249 1.00 0.00 O ATOM 993 CB GLU A 63 4.011 -8.417 12.941 1.00 0.00 C ATOM 994 CG GLU A 63 4.422 -9.094 14.254 1.00 0.00 C ATOM 995 CD GLU A 63 4.748 -10.584 14.025 1.00 0.00 C ATOM 996 OE1 GLU A 63 5.819 -10.897 13.448 1.00 0.00 O ATOM 997 OE2 GLU A 63 3.939 -11.456 14.426 1.00 0.00 O ATOM 0 H GLU A 63 2.212 -7.602 14.400 1.00 0.00 H new ATOM 0 HA GLU A 63 4.531 -6.407 13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.133 -8.923 12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.811 -8.540 12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.292 -8.587 14.673 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.617 -9.001 14.983 1.00 0.00 H new ATOM 1004 N VAL A 64 2.401 -6.590 11.035 1.00 0.00 N ATOM 1005 CA VAL A 64 2.063 -6.052 9.707 1.00 0.00 C ATOM 1006 C VAL A 64 1.701 -4.565 9.798 1.00 0.00 C ATOM 1007 O VAL A 64 2.129 -3.771 8.959 1.00 0.00 O ATOM 1008 CB VAL A 64 0.907 -6.840 9.055 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.761 -6.485 7.569 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.109 -8.360 9.132 1.00 0.00 C ATOM 0 H VAL A 64 1.693 -7.224 11.404 1.00 0.00 H new ATOM 0 HA VAL A 64 2.946 -6.162 9.077 1.00 0.00 H new ATOM 0 HB VAL A 64 0.016 -6.559 9.617 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.061 -7.056 7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.555 -5.419 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.685 -6.727 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.266 -8.863 8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.030 -8.631 8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.174 -8.666 10.176 1.00 0.00 H new ATOM 1020 N LEU A 65 0.948 -4.178 10.836 1.00 0.00 N ATOM 1021 CA LEU A 65 0.522 -2.800 11.091 1.00 0.00 C ATOM 1022 C LEU A 65 1.733 -1.854 11.221 1.00 0.00 C ATOM 1023 O LEU A 65 1.849 -0.882 10.475 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.380 -2.768 12.347 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.572 -1.788 12.311 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -2.044 -1.546 13.746 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.289 -0.425 11.684 1.00 0.00 C ATOM 0 H LEU A 65 0.610 -4.835 11.540 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.058 -2.439 10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.769 -3.773 12.514 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.241 -2.519 13.207 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.319 -2.267 11.678 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.887 -0.855 13.740 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.353 -2.491 14.192 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.229 -1.119 14.330 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.193 0.183 11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.499 0.076 12.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.972 -0.559 10.650 1.00 0.00 H new ATOM 1039 N VAL A 66 2.657 -2.145 12.147 1.00 0.00 N ATOM 1040 CA VAL A 66 3.845 -1.320 12.438 1.00 0.00 C ATOM 1041 C VAL A 66 4.857 -1.310 11.291 1.00 0.00 C ATOM 1042 O VAL A 66 5.479 -0.277 11.044 1.00 0.00 O ATOM 1043 CB VAL A 66 4.511 -1.671 13.786 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.484 -1.633 14.930 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.264 -3.006 13.791 1.00 0.00 C ATOM 0 H VAL A 66 2.601 -2.980 12.730 1.00 0.00 H new ATOM 0 HA VAL A 66 3.469 -0.301 12.535 1.00 0.00 H new ATOM 0 HB VAL A 66 5.267 -0.901 13.943 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.976 -1.884 15.870 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.055 -0.634 15.001 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.692 -2.355 14.732 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.701 -3.174 14.776 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.572 -3.815 13.558 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.056 -2.980 13.043 1.00 0.00 H new ATOM 1055 N ALA A 67 4.981 -2.414 10.545 1.00 0.00 N ATOM 1056 CA ALA A 67 5.772 -2.477 9.317 1.00 0.00 C ATOM 1057 C ALA A 67 5.212 -1.539 8.232 1.00 0.00 C ATOM 1058 O ALA A 67 5.939 -0.688 7.717 1.00 0.00 O ATOM 1059 CB ALA A 67 5.840 -3.930 8.833 1.00 0.00 C ATOM 0 H ALA A 67 4.529 -3.297 10.782 1.00 0.00 H new ATOM 0 HA ALA A 67 6.783 -2.130 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.429 -3.981 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.307 -4.548 9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.832 -4.296 8.637 1.00 0.00 H new ATOM 1065 N ASP A 68 3.920 -1.654 7.903 1.00 0.00 N ATOM 1066 CA ASP A 68 3.264 -0.764 6.939 1.00 0.00 C ATOM 1067 C ASP A 68 3.299 0.709 7.399 1.00 0.00 C ATOM 1068 O ASP A 68 3.521 1.587 6.567 1.00 0.00 O ATOM 1069 CB ASP A 68 1.823 -1.223 6.653 1.00 0.00 C ATOM 1070 CG ASP A 68 1.675 -2.390 5.655 1.00 0.00 C ATOM 1071 OD1 ASP A 68 2.678 -3.022 5.247 1.00 0.00 O ATOM 1072 OD2 ASP A 68 0.516 -2.655 5.241 1.00 0.00 O ATOM 0 H ASP A 68 3.302 -2.364 8.296 1.00 0.00 H new ATOM 0 HA ASP A 68 3.828 -0.824 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.361 -1.516 7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.259 -0.371 6.273 1.00 0.00 H new ATOM 1077 N LEU A 69 3.160 0.993 8.704 1.00 0.00 N ATOM 1078 CA LEU A 69 3.315 2.333 9.291 1.00 0.00 C ATOM 1079 C LEU A 69 4.684 2.950 8.993 1.00 0.00 C ATOM 1080 O LEU A 69 4.737 3.999 8.346 1.00 0.00 O ATOM 1081 CB LEU A 69 3.069 2.305 10.809 1.00 0.00 C ATOM 1082 CG LEU A 69 1.591 2.331 11.220 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.464 1.916 12.686 1.00 0.00 C ATOM 1084 CD2 LEU A 69 0.998 3.736 11.063 1.00 0.00 C ATOM 0 H LEU A 69 2.931 0.280 9.396 1.00 0.00 H new ATOM 0 HA LEU A 69 2.561 2.964 8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.531 1.408 11.222 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.573 3.160 11.261 1.00 0.00 H new ATOM 0 HG LEU A 69 1.049 1.641 10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.414 1.934 12.980 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.860 0.908 12.815 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.027 2.609 13.311 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.050 3.724 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.547 4.435 11.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.075 4.049 10.022 1.00 0.00 H new ATOM 1096 N VAL A 70 5.789 2.334 9.445 1.00 0.00 N ATOM 1097 CA VAL A 70 7.134 2.888 9.183 1.00 0.00 C ATOM 1098 C VAL A 70 7.425 3.000 7.685 1.00 0.00 C ATOM 1099 O VAL A 70 8.061 3.966 7.269 1.00 0.00 O ATOM 1100 CB VAL A 70 8.292 2.150 9.891 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.129 2.164 11.412 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.502 0.699 9.444 1.00 0.00 C ATOM 0 H VAL A 70 5.783 1.468 9.984 1.00 0.00 H new ATOM 0 HA VAL A 70 7.096 3.885 9.622 1.00 0.00 H new ATOM 0 HB VAL A 70 9.175 2.715 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.963 1.635 11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.113 3.195 11.767 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.194 1.672 11.682 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.336 0.265 9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.598 0.123 9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.722 0.675 8.377 1.00 0.00 H new ATOM 1112 N ASN A 71 6.931 2.060 6.869 1.00 0.00 N ATOM 1113 CA ASN A 71 7.108 2.062 5.417 1.00 0.00 C ATOM 1114 C ASN A 71 6.343 3.208 4.723 1.00 0.00 C ATOM 1115 O ASN A 71 6.898 3.883 3.857 1.00 0.00 O ATOM 1116 CB ASN A 71 6.721 0.683 4.861 1.00 0.00 C ATOM 1117 CG ASN A 71 7.222 0.506 3.437 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.416 0.423 3.183 1.00 0.00 O ATOM 1119 ND2 ASN A 71 6.345 0.447 2.462 1.00 0.00 N ATOM 0 H ASN A 71 6.389 1.265 7.208 1.00 0.00 H new ATOM 0 HA ASN A 71 8.159 2.251 5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.138 -0.099 5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.637 0.569 4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.660 0.333 1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.348 0.516 2.668 1.00 0.00 H new ATOM 1126 N ALA A 72 5.092 3.472 5.117 1.00 0.00 N ATOM 1127 CA ALA A 72 4.301 4.610 4.635 1.00 0.00 C ATOM 1128 C ALA A 72 4.897 5.965 5.073 1.00 0.00 C ATOM 1129 O ALA A 72 4.882 6.933 4.310 1.00 0.00 O ATOM 1130 CB ALA A 72 2.859 4.447 5.133 1.00 0.00 C ATOM 0 H ALA A 72 4.593 2.891 5.791 1.00 0.00 H new ATOM 0 HA ALA A 72 4.318 4.615 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.256 5.285 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.444 3.516 4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.851 4.424 6.223 1.00 0.00 H new ATOM 1136 N GLN A 73 5.457 6.029 6.287 1.00 0.00 N ATOM 1137 CA GLN A 73 6.140 7.196 6.863 1.00 0.00 C ATOM 1138 C GLN A 73 7.607 7.381 6.398 1.00 0.00 C ATOM 1139 O GLN A 73 8.297 8.255 6.930 1.00 0.00 O ATOM 1140 CB GLN A 73 6.028 7.127 8.401 1.00 0.00 C ATOM 1141 CG GLN A 73 4.617 7.480 8.908 1.00 0.00 C ATOM 1142 CD GLN A 73 4.303 8.969 8.739 1.00 0.00 C ATOM 1143 OE1 GLN A 73 4.920 9.837 9.343 1.00 0.00 O ATOM 1144 NE2 GLN A 73 3.359 9.333 7.896 1.00 0.00 N ATOM 0 H GLN A 73 5.446 5.233 6.924 1.00 0.00 H new ATOM 0 HA GLN A 73 5.634 8.085 6.487 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.290 6.123 8.736 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.751 7.811 8.845 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.879 6.890 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.531 7.208 9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.833 8.626 7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.154 10.322 7.756 1.00 0.00 H new