USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=13 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 48 MET CE :methyl 174:sc= -0.0361 (180deg=-0.088) USER MOD Set 1.2: A 58 ASN : amide:sc= 0.0472 X(o=0.011,f=-0.4) USER MOD Set 2.1: A 51 LYS NZ :NH3+ 158:sc= 0.847 (180deg=-0.0749) USER MOD Set 2.2: A 55 SER OG : rot -37:sc= 0.749 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 28 ASN : amide:sc=-0.00466 X(o=-0.0047,f=0) USER MOD Single : A 30 MET CE :methyl 166:sc= -0.0448 (180deg=-0.825) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 37 MET CE :methyl -163:sc= -0.441 (180deg=-1.41) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 1.31 (180deg=0.799) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 0.0201 (180deg=0.00119) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0819 X(o=-0.082,f=-0.082) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -20:sc= 1.06 USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.539) 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= -0.0192 X(o=-0.019,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -13.957 6.415 13.831 1.00 0.00 N ATOM 331 CA ASP A 23 -14.670 5.234 14.357 1.00 0.00 C ATOM 332 C ASP A 23 -13.820 3.945 14.347 1.00 0.00 C ATOM 333 O ASP A 23 -13.989 3.069 15.200 1.00 0.00 O ATOM 334 CB ASP A 23 -15.961 5.009 13.556 1.00 0.00 C ATOM 335 CG ASP A 23 -16.988 6.129 13.786 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.751 6.056 14.779 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.045 7.078 12.968 1.00 0.00 O ATOM 0 HA ASP A 23 -14.898 5.448 15.401 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.722 4.949 12.494 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.400 4.052 13.838 1.00 0.00 H new ATOM 342 N THR A 24 -12.862 3.846 13.420 1.00 0.00 N ATOM 343 CA THR A 24 -11.931 2.715 13.279 1.00 0.00 C ATOM 344 C THR A 24 -11.026 2.513 14.508 1.00 0.00 C ATOM 345 O THR A 24 -10.630 1.384 14.797 1.00 0.00 O ATOM 346 CB THR A 24 -11.086 2.871 12.002 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.923 3.219 10.916 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.371 1.578 11.606 1.00 0.00 C ATOM 0 H THR A 24 -12.706 4.574 12.723 1.00 0.00 H new ATOM 0 HA THR A 24 -12.544 1.817 13.201 1.00 0.00 H new ATOM 0 HB THR A 24 -10.346 3.641 12.219 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.382 3.319 10.105 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.790 1.746 10.699 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.705 1.269 12.411 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.108 0.796 11.425 1.00 0.00 H new ATOM 356 N ILE A 25 -10.755 3.571 15.286 1.00 0.00 N ATOM 357 CA ILE A 25 -10.050 3.501 16.582 1.00 0.00 C ATOM 358 C ILE A 25 -10.812 2.607 17.577 1.00 0.00 C ATOM 359 O ILE A 25 -10.202 1.785 18.263 1.00 0.00 O ATOM 360 CB ILE A 25 -9.833 4.934 17.136 1.00 0.00 C ATOM 361 CG1 ILE A 25 -8.747 5.679 16.321 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.441 4.951 18.623 1.00 0.00 C ATOM 363 CD1 ILE A 25 -8.953 7.194 16.253 1.00 0.00 C ATOM 0 H ILE A 25 -11.024 4.521 15.030 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.072 3.043 16.434 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.793 5.441 17.038 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.771 5.474 16.762 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.729 5.279 15.307 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.303 5.981 18.951 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.230 4.485 19.213 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.511 4.399 18.760 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.153 7.644 15.666 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.913 7.410 15.784 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.940 7.609 17.261 1.00 0.00 H new ATOM 375 N PHE A 26 -12.141 2.744 17.648 1.00 0.00 N ATOM 376 CA PHE A 26 -12.987 1.975 18.567 1.00 0.00 C ATOM 377 C PHE A 26 -13.149 0.509 18.126 1.00 0.00 C ATOM 378 O PHE A 26 -13.060 -0.398 18.956 1.00 0.00 O ATOM 379 CB PHE A 26 -14.357 2.665 18.735 1.00 0.00 C ATOM 380 CG PHE A 26 -14.780 2.889 20.182 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.753 1.832 21.114 1.00 0.00 C ATOM 382 CD2 PHE A 26 -15.204 4.166 20.601 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.123 2.055 22.454 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.582 4.387 21.939 1.00 0.00 C ATOM 385 CZ PHE A 26 -15.537 3.334 22.868 1.00 0.00 C ATOM 0 H PHE A 26 -12.664 3.397 17.064 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.486 1.952 19.535 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.329 3.628 18.225 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -15.116 2.062 18.237 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.447 0.846 20.798 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.239 4.980 19.892 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.089 1.243 23.165 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.907 5.368 22.252 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.819 3.506 23.896 1.00 0.00 H new ATOM 395 N GLN A 27 -13.381 0.257 16.828 1.00 0.00 N ATOM 396 CA GLN A 27 -13.663 -1.095 16.314 1.00 0.00 C ATOM 397 C GLN A 27 -12.445 -2.044 16.313 1.00 0.00 C ATOM 398 O GLN A 27 -12.621 -3.262 16.222 1.00 0.00 O ATOM 399 CB GLN A 27 -14.320 -1.009 14.919 1.00 0.00 C ATOM 400 CG GLN A 27 -13.327 -0.941 13.741 1.00 0.00 C ATOM 401 CD GLN A 27 -13.982 -0.660 12.386 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.051 -0.074 12.266 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.361 -1.067 11.298 1.00 0.00 N ATOM 0 H GLN A 27 -13.379 0.979 16.108 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.364 -1.548 17.015 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.965 -1.877 14.782 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.960 -0.127 14.888 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.591 -0.163 13.945 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.785 -1.885 13.682 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.470 -1.557 11.373 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.772 -0.892 10.381 1.00 0.00 H new ATOM 412 N ASN A 28 -11.220 -1.507 16.384 1.00 0.00 N ATOM 413 CA ASN A 28 -9.972 -2.231 16.125 1.00 0.00 C ATOM 414 C ASN A 28 -8.938 -1.981 17.256 1.00 0.00 C ATOM 415 O ASN A 28 -8.181 -1.010 17.192 1.00 0.00 O ATOM 416 CB ASN A 28 -9.484 -1.849 14.707 1.00 0.00 C ATOM 417 CG ASN A 28 -9.027 -3.058 13.912 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.780 -3.638 13.144 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.803 -3.494 14.087 1.00 0.00 N ATOM 0 H ASN A 28 -11.067 -0.529 16.630 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.127 -3.310 16.138 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.289 -1.347 14.171 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.662 -1.137 14.787 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.478 -4.318 13.582 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.176 -3.009 14.728 1.00 0.00 H new ATOM 426 N PRO A 29 -8.875 -2.821 18.312 1.00 0.00 N ATOM 427 CA PRO A 29 -8.104 -2.524 19.531 1.00 0.00 C ATOM 428 C PRO A 29 -6.577 -2.494 19.333 1.00 0.00 C ATOM 429 O PRO A 29 -5.863 -1.896 20.140 1.00 0.00 O ATOM 430 CB PRO A 29 -8.525 -3.590 20.550 1.00 0.00 C ATOM 431 CG PRO A 29 -8.964 -4.765 19.679 1.00 0.00 C ATOM 432 CD PRO A 29 -9.591 -4.080 18.466 1.00 0.00 C ATOM 0 HA PRO A 29 -8.327 -1.512 19.868 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.700 -3.864 21.207 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.336 -3.238 21.187 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.120 -5.394 19.396 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.679 -5.405 20.196 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.493 -4.698 17.573 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.656 -3.909 18.620 1.00 0.00 H new ATOM 440 N MET A 30 -6.076 -3.056 18.225 1.00 0.00 N ATOM 441 CA MET A 30 -4.684 -2.922 17.763 1.00 0.00 C ATOM 442 C MET A 30 -4.233 -1.459 17.608 1.00 0.00 C ATOM 443 O MET A 30 -3.043 -1.169 17.736 1.00 0.00 O ATOM 444 CB MET A 30 -4.528 -3.620 16.405 1.00 0.00 C ATOM 445 CG MET A 30 -4.640 -5.148 16.474 1.00 0.00 C ATOM 446 SD MET A 30 -4.759 -5.987 14.863 1.00 0.00 S ATOM 447 CE MET A 30 -3.436 -5.173 13.926 1.00 0.00 C ATOM 0 H MET A 30 -6.643 -3.634 17.605 1.00 0.00 H new ATOM 0 HA MET A 30 -4.058 -3.383 18.527 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.289 -3.240 15.723 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.559 -3.355 15.981 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.771 -5.537 17.005 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.518 -5.406 17.066 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.226 -5.744 13.021 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.750 -4.165 13.654 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.536 -5.120 14.538 1.00 0.00 H new ATOM 457 N VAL A 31 -5.165 -0.530 17.351 1.00 0.00 N ATOM 458 CA VAL A 31 -4.874 0.903 17.209 1.00 0.00 C ATOM 459 C VAL A 31 -4.203 1.459 18.465 1.00 0.00 C ATOM 460 O VAL A 31 -3.104 1.999 18.376 1.00 0.00 O ATOM 461 CB VAL A 31 -6.135 1.707 16.827 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.867 3.214 16.797 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.620 1.312 15.428 1.00 0.00 C ATOM 0 H VAL A 31 -6.153 -0.756 17.235 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.168 1.014 16.386 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.883 1.479 17.586 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.781 3.741 16.524 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.538 3.545 17.782 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.090 3.431 16.064 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.510 1.889 15.175 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.835 1.517 14.700 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.860 0.249 15.413 1.00 0.00 H new ATOM 473 N GLN A 32 -4.811 1.282 19.641 1.00 0.00 N ATOM 474 CA GLN A 32 -4.308 1.835 20.907 1.00 0.00 C ATOM 475 C GLN A 32 -2.862 1.394 21.205 1.00 0.00 C ATOM 476 O GLN A 32 -2.027 2.206 21.608 1.00 0.00 O ATOM 477 CB GLN A 32 -5.246 1.444 22.066 1.00 0.00 C ATOM 478 CG GLN A 32 -6.737 1.777 21.860 1.00 0.00 C ATOM 479 CD GLN A 32 -7.009 3.265 21.645 1.00 0.00 C ATOM 480 OE1 GLN A 32 -6.703 3.839 20.610 1.00 0.00 O ATOM 481 NE2 GLN A 32 -7.604 3.952 22.597 1.00 0.00 N ATOM 0 H GLN A 32 -5.673 0.747 19.745 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.294 2.920 20.807 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.153 0.372 22.239 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.903 1.944 22.972 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.109 1.221 21.000 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.300 1.435 22.729 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.868 3.493 23.469 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.801 4.944 22.463 1.00 0.00 H new ATOM 490 N GLU A 33 -2.546 0.121 20.953 1.00 0.00 N ATOM 491 CA GLU A 33 -1.201 -0.454 21.086 1.00 0.00 C ATOM 492 C GLU A 33 -0.175 0.178 20.123 1.00 0.00 C ATOM 493 O GLU A 33 0.981 0.366 20.505 1.00 0.00 O ATOM 494 CB GLU A 33 -1.309 -1.977 20.894 1.00 0.00 C ATOM 495 CG GLU A 33 0.018 -2.753 20.966 1.00 0.00 C ATOM 496 CD GLU A 33 0.781 -2.591 22.300 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.148 -2.359 23.359 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.027 -2.735 22.306 1.00 0.00 O ATOM 0 H GLU A 33 -3.238 -0.560 20.641 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.820 -0.230 22.083 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.983 -2.374 21.653 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.770 -2.171 19.926 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.185 -3.812 20.804 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.662 -2.424 20.151 1.00 0.00 H new ATOM 505 N ALA A 34 -0.575 0.560 18.905 1.00 0.00 N ATOM 506 CA ALA A 34 0.289 1.284 17.970 1.00 0.00 C ATOM 507 C ALA A 34 0.656 2.687 18.494 1.00 0.00 C ATOM 508 O ALA A 34 1.844 3.008 18.583 1.00 0.00 O ATOM 509 CB ALA A 34 -0.364 1.322 16.584 1.00 0.00 C ATOM 0 H ALA A 34 -1.509 0.375 18.540 1.00 0.00 H new ATOM 0 HA ALA A 34 1.234 0.749 17.880 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.282 1.862 15.892 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.512 0.304 16.224 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.328 1.827 16.649 1.00 0.00 H new ATOM 515 N ILE A 35 -0.323 3.509 18.911 1.00 0.00 N ATOM 516 CA ILE A 35 -0.039 4.812 19.554 1.00 0.00 C ATOM 517 C ILE A 35 0.876 4.645 20.778 1.00 0.00 C ATOM 518 O ILE A 35 1.826 5.413 20.946 1.00 0.00 O ATOM 519 CB ILE A 35 -1.329 5.595 19.913 1.00 0.00 C ATOM 520 CG1 ILE A 35 -2.049 6.124 18.650 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.032 6.809 20.819 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.282 5.296 18.293 1.00 0.00 C ATOM 0 H ILE A 35 -1.317 3.298 18.816 1.00 0.00 H new ATOM 0 HA ILE A 35 0.493 5.413 18.817 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.966 4.884 20.439 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.345 7.161 18.811 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.355 6.118 17.810 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.962 7.329 21.047 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.571 6.467 21.746 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.352 7.489 20.305 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.751 5.708 17.400 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.985 4.264 18.104 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.991 5.324 19.121 1.00 0.00 H new ATOM 534 N ARG A 36 0.643 3.619 21.608 1.00 0.00 N ATOM 535 CA ARG A 36 1.439 3.318 22.812 1.00 0.00 C ATOM 536 C ARG A 36 2.944 3.130 22.538 1.00 0.00 C ATOM 537 O ARG A 36 3.753 3.466 23.404 1.00 0.00 O ATOM 538 CB ARG A 36 0.814 2.106 23.526 1.00 0.00 C ATOM 539 CG ARG A 36 1.404 1.848 24.917 1.00 0.00 C ATOM 540 CD ARG A 36 0.708 0.656 25.585 1.00 0.00 C ATOM 541 NE ARG A 36 1.322 0.342 26.890 1.00 0.00 N ATOM 542 CZ ARG A 36 2.428 -0.348 27.112 1.00 0.00 C ATOM 543 NH1 ARG A 36 3.104 -0.907 26.147 1.00 0.00 N ATOM 544 NH2 ARG A 36 2.886 -0.486 28.323 1.00 0.00 N ATOM 0 H ARG A 36 -0.120 2.959 21.460 1.00 0.00 H new ATOM 0 HA ARG A 36 1.401 4.189 23.467 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.261 2.263 23.619 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.955 1.218 22.909 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.473 1.652 24.834 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.290 2.737 25.537 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.350 0.880 25.722 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.768 -0.215 24.933 1.00 0.00 H new ATOM 0 HE ARG A 36 0.838 0.698 27.714 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.784 -0.819 25.183 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.953 -1.432 26.357 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.391 -0.061 29.107 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.740 -1.019 28.488 1.00 0.00 H new ATOM 558 N MET A 37 3.341 2.660 21.348 1.00 0.00 N ATOM 559 CA MET A 37 4.760 2.557 20.954 1.00 0.00 C ATOM 560 C MET A 37 5.415 3.900 20.559 1.00 0.00 C ATOM 561 O MET A 37 6.642 3.963 20.449 1.00 0.00 O ATOM 562 CB MET A 37 4.952 1.559 19.802 1.00 0.00 C ATOM 563 CG MET A 37 4.458 0.141 20.115 1.00 0.00 C ATOM 564 SD MET A 37 5.435 -1.204 19.373 1.00 0.00 S ATOM 565 CE MET A 37 5.692 -0.577 17.690 1.00 0.00 C ATOM 0 H MET A 37 2.692 2.340 20.629 1.00 0.00 H new ATOM 0 HA MET A 37 5.263 2.205 21.855 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.426 1.930 18.922 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.010 1.515 19.546 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.449 0.007 21.197 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.427 0.050 19.774 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.000 -1.396 17.040 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.763 -0.147 17.316 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.468 0.189 17.701 1.00 0.00 H new ATOM 575 N GLY A 38 4.635 4.966 20.351 1.00 0.00 N ATOM 576 CA GLY A 38 5.111 6.329 20.058 1.00 0.00 C ATOM 577 C GLY A 38 4.590 6.955 18.753 1.00 0.00 C ATOM 578 O GLY A 38 4.862 8.132 18.501 1.00 0.00 O ATOM 0 H GLY A 38 3.617 4.905 20.382 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.830 6.978 20.887 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.200 6.313 20.021 1.00 0.00 H new ATOM 582 N PHE A 39 3.845 6.214 17.924 1.00 0.00 N ATOM 583 CA PHE A 39 3.155 6.758 16.742 1.00 0.00 C ATOM 584 C PHE A 39 2.025 7.739 17.132 1.00 0.00 C ATOM 585 O PHE A 39 1.460 7.648 18.225 1.00 0.00 O ATOM 586 CB PHE A 39 2.568 5.599 15.926 1.00 0.00 C ATOM 587 CG PHE A 39 3.570 4.676 15.250 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.236 5.092 14.081 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.793 3.377 15.748 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.122 4.220 13.423 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.671 2.502 15.088 1.00 0.00 C ATOM 592 CZ PHE A 39 5.334 2.922 13.924 1.00 0.00 C ATOM 0 H PHE A 39 3.701 5.212 18.053 1.00 0.00 H new ATOM 0 HA PHE A 39 3.884 7.312 16.151 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.941 4.999 16.586 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.916 6.016 15.159 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.066 6.084 13.689 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.285 3.052 16.644 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.640 4.547 12.533 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.836 1.507 15.475 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.007 2.249 13.413 1.00 0.00 H new ATOM 602 N SER A 40 1.647 8.653 16.233 1.00 0.00 N ATOM 603 CA SER A 40 0.504 9.565 16.434 1.00 0.00 C ATOM 604 C SER A 40 -0.832 8.893 16.086 1.00 0.00 C ATOM 605 O SER A 40 -0.899 8.087 15.156 1.00 0.00 O ATOM 606 CB SER A 40 0.661 10.820 15.565 1.00 0.00 C ATOM 607 OG SER A 40 1.872 11.506 15.849 1.00 0.00 O ATOM 0 H SER A 40 2.123 8.786 15.341 1.00 0.00 H new ATOM 0 HA SER A 40 0.497 9.835 17.490 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.640 10.539 14.512 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.184 11.488 15.734 1.00 0.00 H new ATOM 0 HG SER A 40 1.941 12.299 15.277 1.00 0.00 H new ATOM 613 N PHE A 41 -1.922 9.285 16.760 1.00 0.00 N ATOM 614 CA PHE A 41 -3.292 8.795 16.502 1.00 0.00 C ATOM 615 C PHE A 41 -3.691 8.885 15.026 1.00 0.00 C ATOM 616 O PHE A 41 -4.147 7.900 14.440 1.00 0.00 O ATOM 617 CB PHE A 41 -4.305 9.546 17.389 1.00 0.00 C ATOM 618 CG PHE A 41 -4.767 8.758 18.598 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.744 7.758 18.438 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.226 9.010 19.874 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.170 7.004 19.545 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.654 8.254 20.982 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.623 7.248 20.817 1.00 0.00 C ATOM 0 H PHE A 41 -1.880 9.967 17.518 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.304 7.736 16.760 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.855 10.480 17.727 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.174 9.811 16.787 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.167 7.569 17.463 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.483 9.783 20.002 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.919 6.236 19.418 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.238 8.447 21.960 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.946 6.664 21.666 1.00 0.00 H new ATOM 633 N LYS A 42 -3.465 10.062 14.426 1.00 0.00 N ATOM 634 CA LYS A 42 -3.687 10.381 13.008 1.00 0.00 C ATOM 635 C LYS A 42 -3.088 9.335 12.064 1.00 0.00 C ATOM 636 O LYS A 42 -3.743 8.928 11.108 1.00 0.00 O ATOM 637 CB LYS A 42 -3.153 11.806 12.751 1.00 0.00 C ATOM 638 CG LYS A 42 -3.267 12.280 11.292 1.00 0.00 C ATOM 639 CD LYS A 42 -2.064 11.935 10.391 1.00 0.00 C ATOM 640 CE LYS A 42 -0.926 12.970 10.414 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.011 12.790 11.571 1.00 0.00 N ATOM 0 H LYS A 42 -3.102 10.861 14.945 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.755 10.353 12.790 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.696 12.504 13.389 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.106 11.847 13.052 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.165 11.843 10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.404 13.361 11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.664 10.968 10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.416 11.824 9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.354 12.896 9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.353 13.973 10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.870 13.317 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.468 13.147 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.207 11.780 11.687 1.00 0.00 H new ATOM 655 N ASP A 43 -1.855 8.901 12.330 1.00 0.00 N ATOM 656 CA ASP A 43 -1.111 7.977 11.465 1.00 0.00 C ATOM 657 C ASP A 43 -1.815 6.615 11.390 1.00 0.00 C ATOM 658 O ASP A 43 -1.953 6.035 10.311 1.00 0.00 O ATOM 659 CB ASP A 43 0.330 7.770 11.968 1.00 0.00 C ATOM 660 CG ASP A 43 1.159 9.047 12.192 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.793 10.139 11.691 1.00 0.00 O ATOM 662 OD2 ASP A 43 2.184 8.953 12.906 1.00 0.00 O ATOM 0 H ASP A 43 -1.337 9.183 13.162 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.077 8.426 10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.290 7.218 12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.857 7.141 11.251 1.00 0.00 H new ATOM 667 N ILE A 44 -2.291 6.116 12.538 1.00 0.00 N ATOM 668 CA ILE A 44 -2.912 4.793 12.642 1.00 0.00 C ATOM 669 C ILE A 44 -4.274 4.774 11.949 1.00 0.00 C ATOM 670 O ILE A 44 -4.510 3.941 11.074 1.00 0.00 O ATOM 671 CB ILE A 44 -3.052 4.296 14.095 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.912 4.683 15.057 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.200 2.763 14.043 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.500 4.352 14.582 1.00 0.00 C ATOM 0 H ILE A 44 -2.255 6.622 13.423 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.236 4.104 12.136 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.925 4.797 14.513 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.969 5.755 15.245 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.081 4.182 16.010 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.302 2.373 15.056 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.085 2.502 13.463 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.318 2.328 13.574 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.221 4.668 15.336 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.412 3.277 14.423 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.299 4.874 13.647 1.00 0.00 H new ATOM 686 N LYS A 45 -5.174 5.705 12.298 1.00 0.00 N ATOM 687 CA LYS A 45 -6.488 5.809 11.640 1.00 0.00 C ATOM 688 C LYS A 45 -6.356 5.994 10.123 1.00 0.00 C ATOM 689 O LYS A 45 -7.097 5.345 9.386 1.00 0.00 O ATOM 690 CB LYS A 45 -7.398 6.839 12.345 1.00 0.00 C ATOM 691 CG LYS A 45 -6.862 8.279 12.438 1.00 0.00 C ATOM 692 CD LYS A 45 -7.158 9.172 11.227 1.00 0.00 C ATOM 693 CE LYS A 45 -8.609 9.647 11.219 1.00 0.00 C ATOM 694 NZ LYS A 45 -8.889 10.398 9.972 1.00 0.00 N ATOM 0 H LYS A 45 -5.018 6.397 13.031 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.005 4.856 11.754 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.354 6.864 11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.597 6.483 13.356 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.284 8.749 13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.782 8.238 12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.492 10.035 11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.950 8.622 10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.281 8.792 11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.798 10.281 12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.740 10.981 10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.080 11.011 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.044 9.729 9.191 1.00 0.00 H new ATOM 708 N LYS A 46 -5.364 6.771 9.653 1.00 0.00 N ATOM 709 CA LYS A 46 -5.039 6.947 8.225 1.00 0.00 C ATOM 710 C LYS A 46 -4.615 5.632 7.568 1.00 0.00 C ATOM 711 O LYS A 46 -5.166 5.271 6.527 1.00 0.00 O ATOM 712 CB LYS A 46 -3.984 8.057 8.034 1.00 0.00 C ATOM 713 CG LYS A 46 -3.417 8.173 6.603 1.00 0.00 C ATOM 714 CD LYS A 46 -4.465 8.415 5.499 1.00 0.00 C ATOM 715 CE LYS A 46 -3.907 8.103 4.102 1.00 0.00 C ATOM 716 NZ LYS A 46 -2.835 9.037 3.662 1.00 0.00 N ATOM 0 H LYS A 46 -4.752 7.306 10.269 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.948 7.266 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.428 9.013 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.159 7.877 8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.694 8.989 6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.872 7.258 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.341 7.794 5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.797 9.453 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.515 7.086 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.723 8.134 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.507 8.766 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.209 10.007 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.039 8.991 4.330 1.00 0.00 H new ATOM 730 N ILE A 47 -3.644 4.911 8.134 1.00 0.00 N ATOM 731 CA ILE A 47 -3.203 3.655 7.516 1.00 0.00 C ATOM 732 C ILE A 47 -4.298 2.578 7.549 1.00 0.00 C ATOM 733 O ILE A 47 -4.414 1.812 6.599 1.00 0.00 O ATOM 734 CB ILE A 47 -1.843 3.178 8.066 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.156 2.314 6.991 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.947 2.440 9.410 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.314 2.032 7.297 1.00 0.00 C ATOM 0 H ILE A 47 -3.159 5.164 8.995 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.029 3.859 6.460 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.237 4.058 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.689 1.368 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.230 2.817 6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.953 2.134 9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.385 3.103 10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.577 1.559 9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.740 1.419 6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.859 2.974 7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.393 1.502 8.246 1.00 0.00 H new ATOM 749 N MET A 48 -5.153 2.553 8.581 1.00 0.00 N ATOM 750 CA MET A 48 -6.305 1.646 8.649 1.00 0.00 C ATOM 751 C MET A 48 -7.374 1.949 7.591 1.00 0.00 C ATOM 752 O MET A 48 -7.775 1.030 6.873 1.00 0.00 O ATOM 753 CB MET A 48 -6.924 1.634 10.052 1.00 0.00 C ATOM 754 CG MET A 48 -6.000 0.971 11.080 1.00 0.00 C ATOM 755 SD MET A 48 -6.857 -0.117 12.246 1.00 0.00 S ATOM 756 CE MET A 48 -5.415 -0.875 13.037 1.00 0.00 C ATOM 0 H MET A 48 -5.064 3.163 9.394 1.00 0.00 H new ATOM 0 HA MET A 48 -5.917 0.652 8.429 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.138 2.657 10.363 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.876 1.103 10.024 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.240 0.395 10.552 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.479 1.748 11.639 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.743 -1.503 13.865 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.879 -1.484 12.309 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.754 -0.094 13.413 1.00 0.00 H new ATOM 766 N GLU A 49 -7.842 3.199 7.469 1.00 0.00 N ATOM 767 CA GLU A 49 -8.837 3.570 6.445 1.00 0.00 C ATOM 768 C GLU A 49 -8.317 3.300 5.017 1.00 0.00 C ATOM 769 O GLU A 49 -9.059 2.776 4.187 1.00 0.00 O ATOM 770 CB GLU A 49 -9.366 5.013 6.643 1.00 0.00 C ATOM 771 CG GLU A 49 -8.326 6.109 6.373 1.00 0.00 C ATOM 772 CD GLU A 49 -8.784 7.551 6.685 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.223 7.858 7.822 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.615 8.420 5.799 1.00 0.00 O ATOM 0 H GLU A 49 -7.549 3.973 8.066 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.701 2.919 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.220 5.168 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.730 5.117 7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.435 5.894 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.034 6.058 5.324 1.00 0.00 H new ATOM 781 N GLU A 50 -7.028 3.556 4.741 1.00 0.00 N ATOM 782 CA GLU A 50 -6.382 3.176 3.476 1.00 0.00 C ATOM 783 C GLU A 50 -6.281 1.659 3.284 1.00 0.00 C ATOM 784 O GLU A 50 -6.665 1.160 2.228 1.00 0.00 O ATOM 785 CB GLU A 50 -4.982 3.803 3.352 1.00 0.00 C ATOM 786 CG GLU A 50 -5.006 5.160 2.642 1.00 0.00 C ATOM 787 CD GLU A 50 -5.286 5.004 1.133 1.00 0.00 C ATOM 788 OE1 GLU A 50 -4.315 4.837 0.357 1.00 0.00 O ATOM 789 OE2 GLU A 50 -6.471 5.052 0.724 1.00 0.00 O ATOM 0 H GLU A 50 -6.404 4.034 5.391 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.027 3.566 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.553 3.925 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.330 3.122 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.771 5.793 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.050 5.664 2.786 1.00 0.00 H new ATOM 796 N LYS A 51 -5.783 0.905 4.273 1.00 0.00 N ATOM 797 CA LYS A 51 -5.633 -0.558 4.194 1.00 0.00 C ATOM 798 C LYS A 51 -6.958 -1.241 3.847 1.00 0.00 C ATOM 799 O LYS A 51 -7.000 -2.045 2.916 1.00 0.00 O ATOM 800 CB LYS A 51 -5.010 -1.083 5.503 1.00 0.00 C ATOM 801 CG LYS A 51 -4.843 -2.609 5.574 1.00 0.00 C ATOM 802 CD LYS A 51 -3.952 -3.196 4.469 1.00 0.00 C ATOM 803 CE LYS A 51 -3.820 -4.713 4.659 1.00 0.00 C ATOM 804 NZ LYS A 51 -3.101 -5.358 3.527 1.00 0.00 N ATOM 0 H LYS A 51 -5.469 1.296 5.161 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.954 -0.807 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.033 -0.619 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.631 -0.761 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.421 -2.873 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.827 -3.074 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.380 -2.979 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.967 -2.730 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.289 -4.917 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.812 -5.154 4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.708 -6.269 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.763 -5.518 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.329 -4.739 3.208 1.00 0.00 H new ATOM 818 N ILE A 52 -8.042 -0.883 4.537 1.00 0.00 N ATOM 819 CA ILE A 52 -9.398 -1.384 4.257 1.00 0.00 C ATOM 820 C ILE A 52 -9.835 -1.024 2.824 1.00 0.00 C ATOM 821 O ILE A 52 -10.296 -1.898 2.091 1.00 0.00 O ATOM 822 CB ILE A 52 -10.398 -0.876 5.325 1.00 0.00 C ATOM 823 CG1 ILE A 52 -10.030 -1.430 6.722 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.838 -1.303 4.976 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.718 -0.696 7.883 1.00 0.00 C ATOM 0 H ILE A 52 -8.007 -0.228 5.318 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.388 -2.472 4.318 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.341 0.212 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.295 -2.486 6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.950 -1.367 6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.522 -0.935 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.117 -0.886 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.894 -2.391 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.410 -1.142 8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.433 0.356 7.868 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.800 -0.781 7.777 1.00 0.00 H new ATOM 837 N GLN A 53 -9.675 0.236 2.402 1.00 0.00 N ATOM 838 CA GLN A 53 -10.092 0.720 1.078 1.00 0.00 C ATOM 839 C GLN A 53 -9.319 0.064 -0.086 1.00 0.00 C ATOM 840 O GLN A 53 -9.926 -0.418 -1.044 1.00 0.00 O ATOM 841 CB GLN A 53 -9.955 2.254 1.053 1.00 0.00 C ATOM 842 CG GLN A 53 -10.613 2.927 -0.164 1.00 0.00 C ATOM 843 CD GLN A 53 -12.122 2.688 -0.239 1.00 0.00 C ATOM 844 OE1 GLN A 53 -12.648 2.127 -1.191 1.00 0.00 O ATOM 845 NE2 GLN A 53 -12.881 3.089 0.762 1.00 0.00 N ATOM 0 H GLN A 53 -9.246 0.960 2.979 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.132 0.432 0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.397 2.662 1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.896 2.513 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.423 4.000 -0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.146 2.553 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.461 3.558 1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.888 2.930 0.734 1.00 0.00 H new ATOM 854 N ILE A 54 -7.983 0.054 -0.017 1.00 0.00 N ATOM 855 CA ILE A 54 -7.069 -0.453 -1.052 1.00 0.00 C ATOM 856 C ILE A 54 -7.046 -1.990 -1.086 1.00 0.00 C ATOM 857 O ILE A 54 -7.241 -2.592 -2.145 1.00 0.00 O ATOM 858 CB ILE A 54 -5.648 0.130 -0.831 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.609 1.676 -0.914 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.615 -0.468 -1.804 1.00 0.00 C ATOM 861 CD1 ILE A 54 -5.968 2.289 -2.277 1.00 0.00 C ATOM 0 H ILE A 54 -7.485 0.415 0.797 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.434 -0.123 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.378 -0.158 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.293 2.077 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.608 2.009 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.636 -0.029 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.563 -1.547 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.913 -0.251 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.907 3.375 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.270 1.929 -3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.982 1.998 -2.551 1.00 0.00 H new ATOM 873 N SER A 55 -6.784 -2.633 0.058 1.00 0.00 N ATOM 874 CA SER A 55 -6.541 -4.083 0.164 1.00 0.00 C ATOM 875 C SER A 55 -7.819 -4.917 0.357 1.00 0.00 C ATOM 876 O SER A 55 -7.817 -6.121 0.089 1.00 0.00 O ATOM 877 CB SER A 55 -5.595 -4.332 1.342 1.00 0.00 C ATOM 878 OG SER A 55 -4.882 -5.551 1.222 1.00 0.00 O ATOM 0 H SER A 55 -6.733 -2.153 0.957 1.00 0.00 H new ATOM 0 HA SER A 55 -6.106 -4.404 -0.783 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.886 -3.507 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.169 -4.341 2.268 1.00 0.00 H new ATOM 0 HG SER A 55 -5.466 -6.235 0.832 1.00 0.00 H new ATOM 884 N GLY A 56 -8.910 -4.297 0.819 1.00 0.00 N ATOM 885 CA GLY A 56 -10.229 -4.914 1.028 1.00 0.00 C ATOM 886 C GLY A 56 -10.499 -5.424 2.454 1.00 0.00 C ATOM 887 O GLY A 56 -11.650 -5.718 2.786 1.00 0.00 O ATOM 0 H GLY A 56 -8.900 -3.308 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.997 -4.186 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.335 -5.749 0.335 1.00 0.00 H new ATOM 891 N SER A 57 -9.476 -5.516 3.310 1.00 0.00 N ATOM 892 CA SER A 57 -9.565 -5.936 4.721 1.00 0.00 C ATOM 893 C SER A 57 -8.484 -5.269 5.585 1.00 0.00 C ATOM 894 O SER A 57 -7.435 -4.865 5.077 1.00 0.00 O ATOM 895 CB SER A 57 -9.457 -7.467 4.828 1.00 0.00 C ATOM 896 OG SER A 57 -8.241 -7.952 4.274 1.00 0.00 O ATOM 0 H SER A 57 -8.521 -5.291 3.031 1.00 0.00 H new ATOM 0 HA SER A 57 -10.536 -5.615 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.523 -7.763 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.300 -7.927 4.313 1.00 0.00 H new ATOM 0 HG SER A 57 -8.208 -8.927 4.362 1.00 0.00 H new ATOM 902 N ASN A 58 -8.734 -5.135 6.893 1.00 0.00 N ATOM 903 CA ASN A 58 -7.798 -4.542 7.860 1.00 0.00 C ATOM 904 C ASN A 58 -6.673 -5.522 8.281 1.00 0.00 C ATOM 905 O ASN A 58 -6.749 -6.730 8.039 1.00 0.00 O ATOM 906 CB ASN A 58 -8.612 -4.052 9.077 1.00 0.00 C ATOM 907 CG ASN A 58 -7.829 -3.094 9.959 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.305 -3.444 11.001 1.00 0.00 O ATOM 909 ND2 ASN A 58 -7.663 -1.859 9.548 1.00 0.00 N ATOM 0 H ASN A 58 -9.609 -5.441 7.319 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.286 -3.703 7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.519 -3.559 8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.925 -4.912 9.670 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.102 -1.209 10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.095 -1.549 8.677 1.00 0.00 H new ATOM 916 N TYR A 59 -5.644 -5.003 8.958 1.00 0.00 N ATOM 917 CA TYR A 59 -4.589 -5.775 9.624 1.00 0.00 C ATOM 918 C TYR A 59 -5.130 -6.701 10.738 1.00 0.00 C ATOM 919 O TYR A 59 -6.170 -6.429 11.344 1.00 0.00 O ATOM 920 CB TYR A 59 -3.565 -4.782 10.203 1.00 0.00 C ATOM 921 CG TYR A 59 -2.956 -3.839 9.180 1.00 0.00 C ATOM 922 CD1 TYR A 59 -2.138 -4.357 8.157 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.213 -2.453 9.235 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.561 -3.497 7.206 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.642 -1.590 8.278 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.808 -2.110 7.265 1.00 0.00 C ATOM 927 OH TYR A 59 -1.277 -1.283 6.327 1.00 0.00 O ATOM 0 H TYR A 59 -5.518 -3.996 9.061 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.126 -6.431 8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.050 -4.191 10.980 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.764 -5.344 10.683 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.953 -5.420 8.103 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.848 -2.053 10.011 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.928 -3.899 6.429 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.843 -0.530 8.320 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.518 -1.726 5.893 1.00 0.00 H new ATOM 937 N LYS A 60 -4.390 -7.781 11.045 1.00 0.00 N ATOM 938 CA LYS A 60 -4.738 -8.802 12.063 1.00 0.00 C ATOM 939 C LYS A 60 -3.640 -9.071 13.109 1.00 0.00 C ATOM 940 O LYS A 60 -3.865 -9.828 14.054 1.00 0.00 O ATOM 941 CB LYS A 60 -5.149 -10.111 11.360 1.00 0.00 C ATOM 942 CG LYS A 60 -6.495 -10.002 10.624 1.00 0.00 C ATOM 943 CD LYS A 60 -6.861 -11.246 9.797 1.00 0.00 C ATOM 944 CE LYS A 60 -7.065 -12.540 10.606 1.00 0.00 C ATOM 945 NZ LYS A 60 -5.798 -13.287 10.844 1.00 0.00 N ATOM 0 H LYS A 60 -3.504 -7.978 10.580 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.573 -8.391 12.631 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.374 -10.393 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.209 -10.910 12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.283 -9.820 11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.467 -9.135 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.776 -11.036 9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.074 -11.417 9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.520 -12.294 11.565 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.766 -13.185 10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.986 -14.309 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.105 -13.037 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.418 -13.037 11.779 1.00 0.00 H new ATOM 959 N SER A 61 -2.464 -8.459 12.957 1.00 0.00 N ATOM 960 CA SER A 61 -1.336 -8.522 13.896 1.00 0.00 C ATOM 961 C SER A 61 -0.617 -7.175 13.946 1.00 0.00 C ATOM 962 O SER A 61 -0.559 -6.461 12.941 1.00 0.00 O ATOM 963 CB SER A 61 -0.361 -9.621 13.456 1.00 0.00 C ATOM 964 OG SER A 61 0.763 -9.667 14.321 1.00 0.00 O ATOM 0 H SER A 61 -2.260 -7.880 12.142 1.00 0.00 H new ATOM 0 HA SER A 61 -1.713 -8.754 14.892 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.868 -10.586 13.458 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.032 -9.435 12.433 1.00 0.00 H new ATOM 0 HG SER A 61 1.374 -10.375 14.027 1.00 0.00 H new ATOM 970 N LEU A 62 -0.038 -6.830 15.099 1.00 0.00 N ATOM 971 CA LEU A 62 0.780 -5.625 15.249 1.00 0.00 C ATOM 972 C LEU A 62 2.013 -5.663 14.336 1.00 0.00 C ATOM 973 O LEU A 62 2.431 -4.615 13.861 1.00 0.00 O ATOM 974 CB LEU A 62 1.206 -5.422 16.719 1.00 0.00 C ATOM 975 CG LEU A 62 0.139 -4.923 17.716 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.558 -3.649 17.236 1.00 0.00 C ATOM 977 CD2 LEU A 62 -0.930 -5.967 18.043 1.00 0.00 C ATOM 0 H LEU A 62 -0.123 -7.379 15.955 1.00 0.00 H new ATOM 0 HA LEU A 62 0.164 -4.778 14.948 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.592 -6.371 17.090 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.034 -4.714 16.733 1.00 0.00 H new ATOM 0 HG LEU A 62 0.703 -4.712 18.625 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.299 -3.340 17.973 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.180 -2.857 17.109 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.052 -3.841 16.284 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.646 -5.546 18.749 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.449 -6.255 17.129 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.458 -6.845 18.484 1.00 0.00 H new ATOM 989 N GLU A 63 2.564 -6.845 14.040 1.00 0.00 N ATOM 990 CA GLU A 63 3.759 -7.021 13.200 1.00 0.00 C ATOM 991 C GLU A 63 3.601 -6.375 11.814 1.00 0.00 C ATOM 992 O GLU A 63 4.408 -5.525 11.427 1.00 0.00 O ATOM 993 CB GLU A 63 4.085 -8.517 13.051 1.00 0.00 C ATOM 994 CG GLU A 63 4.488 -9.206 14.363 1.00 0.00 C ATOM 995 CD GLU A 63 5.821 -8.664 14.916 1.00 0.00 C ATOM 996 OE1 GLU A 63 6.899 -9.049 14.401 1.00 0.00 O ATOM 997 OE2 GLU A 63 5.803 -7.855 15.876 1.00 0.00 O ATOM 0 H GLU A 63 2.185 -7.727 14.384 1.00 0.00 H new ATOM 0 HA GLU A 63 4.583 -6.514 13.701 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.215 -9.028 12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.894 -8.631 12.330 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.702 -9.061 15.105 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.575 -10.280 14.197 1.00 0.00 H new ATOM 1004 N VAL A 64 2.550 -6.748 11.073 1.00 0.00 N ATOM 1005 CA VAL A 64 2.226 -6.145 9.769 1.00 0.00 C ATOM 1006 C VAL A 64 1.833 -4.668 9.906 1.00 0.00 C ATOM 1007 O VAL A 64 2.244 -3.850 9.082 1.00 0.00 O ATOM 1008 CB VAL A 64 1.172 -6.978 9.007 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -0.174 -7.106 9.731 1.00 0.00 C ATOM 1010 CG2 VAL A 64 0.939 -6.440 7.592 1.00 0.00 C ATOM 0 H VAL A 64 1.897 -7.478 11.359 1.00 0.00 H new ATOM 0 HA VAL A 64 3.131 -6.162 9.162 1.00 0.00 H new ATOM 0 HB VAL A 64 1.602 -7.978 8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.856 -7.706 9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.023 -7.589 10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.601 -6.115 9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.191 -7.053 7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.587 -5.410 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.873 -6.474 7.031 1.00 0.00 H new ATOM 1020 N LEU A 65 1.106 -4.301 10.971 1.00 0.00 N ATOM 1021 CA LEU A 65 0.673 -2.927 11.242 1.00 0.00 C ATOM 1022 C LEU A 65 1.876 -1.969 11.357 1.00 0.00 C ATOM 1023 O LEU A 65 1.954 -0.981 10.630 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.195 -2.891 12.521 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.443 -1.984 12.488 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.860 -1.700 13.932 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.273 -0.638 11.785 1.00 0.00 C ATOM 0 H LEU A 65 0.798 -4.966 11.681 1.00 0.00 H new ATOM 0 HA LEU A 65 0.070 -2.584 10.401 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.520 -3.908 12.740 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.435 -2.572 13.351 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.185 -2.533 11.909 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.742 -1.059 13.937 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.091 -2.639 14.435 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.045 -1.199 14.454 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.212 -0.086 11.823 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.494 -0.063 12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.992 -0.804 10.745 1.00 0.00 H new ATOM 1039 N VAL A 66 2.823 -2.257 12.261 1.00 0.00 N ATOM 1040 CA VAL A 66 3.980 -1.390 12.559 1.00 0.00 C ATOM 1041 C VAL A 66 5.005 -1.357 11.423 1.00 0.00 C ATOM 1042 O VAL A 66 5.595 -0.306 11.169 1.00 0.00 O ATOM 1043 CB VAL A 66 4.645 -1.714 13.912 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.610 -1.664 15.048 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.406 -3.045 13.938 1.00 0.00 C ATOM 0 H VAL A 66 2.810 -3.112 12.817 1.00 0.00 H new ATOM 0 HA VAL A 66 3.569 -0.384 12.645 1.00 0.00 H new ATOM 0 HB VAL A 66 5.398 -0.940 14.063 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.098 -1.895 15.995 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.173 -0.667 15.099 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.824 -2.395 14.857 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.843 -3.195 14.925 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.719 -3.862 13.717 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.199 -3.026 13.190 1.00 0.00 H new ATOM 1055 N ALA A 67 5.172 -2.465 10.692 1.00 0.00 N ATOM 1056 CA ALA A 67 5.972 -2.521 9.470 1.00 0.00 C ATOM 1057 C ALA A 67 5.400 -1.597 8.377 1.00 0.00 C ATOM 1058 O ALA A 67 6.120 -0.767 7.817 1.00 0.00 O ATOM 1059 CB ALA A 67 6.050 -3.977 8.996 1.00 0.00 C ATOM 0 H ALA A 67 4.748 -3.359 10.939 1.00 0.00 H new ATOM 0 HA ALA A 67 6.978 -2.159 9.681 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.645 -4.031 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.516 -4.587 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.045 -4.349 8.796 1.00 0.00 H new ATOM 1065 N ASP A 68 4.097 -1.705 8.094 1.00 0.00 N ATOM 1066 CA ASP A 68 3.416 -0.835 7.132 1.00 0.00 C ATOM 1067 C ASP A 68 3.384 0.633 7.593 1.00 0.00 C ATOM 1068 O ASP A 68 3.557 1.519 6.757 1.00 0.00 O ATOM 1069 CB ASP A 68 2.000 -1.350 6.833 1.00 0.00 C ATOM 1070 CG ASP A 68 1.945 -2.471 5.776 1.00 0.00 C ATOM 1071 OD1 ASP A 68 2.933 -3.221 5.579 1.00 0.00 O ATOM 1072 OD2 ASP A 68 0.894 -2.579 5.097 1.00 0.00 O ATOM 0 H ASP A 68 3.486 -2.398 8.526 1.00 0.00 H new ATOM 0 HA ASP A 68 3.995 -0.865 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.556 -1.717 7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.386 -0.516 6.494 1.00 0.00 H new ATOM 1077 N LEU A 69 3.236 0.912 8.896 1.00 0.00 N ATOM 1078 CA LEU A 69 3.332 2.262 9.470 1.00 0.00 C ATOM 1079 C LEU A 69 4.672 2.924 9.142 1.00 0.00 C ATOM 1080 O LEU A 69 4.673 3.964 8.488 1.00 0.00 O ATOM 1081 CB LEU A 69 3.093 2.245 10.990 1.00 0.00 C ATOM 1082 CG LEU A 69 1.611 2.223 11.394 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.480 1.811 12.859 1.00 0.00 C ATOM 1084 CD2 LEU A 69 0.966 3.605 11.239 1.00 0.00 C ATOM 0 H LEU A 69 3.043 0.193 9.593 1.00 0.00 H new ATOM 0 HA LEU A 69 2.545 2.859 9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.587 1.371 11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.565 3.123 11.431 1.00 0.00 H new ATOM 0 HG LEU A 69 1.107 1.512 10.739 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.427 1.797 13.140 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.906 0.817 12.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.014 2.525 13.487 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.082 3.552 11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.486 4.322 11.874 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.035 3.924 10.199 1.00 0.00 H new ATOM 1096 N VAL A 70 5.810 2.349 9.562 1.00 0.00 N ATOM 1097 CA VAL A 70 7.122 2.959 9.264 1.00 0.00 C ATOM 1098 C VAL A 70 7.351 3.115 7.757 1.00 0.00 C ATOM 1099 O VAL A 70 7.828 4.162 7.326 1.00 0.00 O ATOM 1100 CB VAL A 70 8.322 2.263 9.940 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.178 2.284 11.464 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.566 0.817 9.497 1.00 0.00 C ATOM 0 H VAL A 70 5.853 1.482 10.097 1.00 0.00 H new ATOM 0 HA VAL A 70 7.071 3.952 9.712 1.00 0.00 H new ATOM 0 HB VAL A 70 9.185 2.844 9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.036 1.788 11.917 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.131 3.316 11.811 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.264 1.763 11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.429 0.415 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.687 0.214 9.724 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.755 0.792 8.424 1.00 0.00 H new ATOM 1112 N ASN A 71 6.937 2.135 6.945 1.00 0.00 N ATOM 1113 CA ASN A 71 7.002 2.194 5.483 1.00 0.00 C ATOM 1114 C ASN A 71 6.191 3.371 4.896 1.00 0.00 C ATOM 1115 O ASN A 71 6.713 4.134 4.084 1.00 0.00 O ATOM 1116 CB ASN A 71 6.545 0.836 4.926 1.00 0.00 C ATOM 1117 CG ASN A 71 6.592 0.791 3.408 1.00 0.00 C ATOM 1118 OD1 ASN A 71 7.644 0.888 2.792 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.460 0.651 2.754 1.00 0.00 N ATOM 0 H ASN A 71 6.540 1.263 7.294 1.00 0.00 H new ATOM 0 HA ASN A 71 8.031 2.386 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.180 0.048 5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.529 0.631 5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.460 0.623 1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.582 0.570 3.266 1.00 0.00 H new ATOM 1126 N ALA A 72 4.932 3.544 5.314 1.00 0.00 N ATOM 1127 CA ALA A 72 4.056 4.639 4.885 1.00 0.00 C ATOM 1128 C ALA A 72 4.507 6.024 5.402 1.00 0.00 C ATOM 1129 O ALA A 72 4.244 7.038 4.753 1.00 0.00 O ATOM 1130 CB ALA A 72 2.629 4.322 5.346 1.00 0.00 C ATOM 0 H ALA A 72 4.484 2.911 5.976 1.00 0.00 H new ATOM 0 HA ALA A 72 4.105 4.706 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.960 5.125 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.302 3.384 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.609 4.231 6.432 1.00 0.00 H new ATOM 1136 N GLN A 73 5.197 6.076 6.550 1.00 0.00 N ATOM 1137 CA GLN A 73 5.816 7.289 7.099 1.00 0.00 C ATOM 1138 C GLN A 73 7.092 7.722 6.345 1.00 0.00 C ATOM 1139 O GLN A 73 7.460 8.898 6.414 1.00 0.00 O ATOM 1140 CB GLN A 73 6.125 7.079 8.594 1.00 0.00 C ATOM 1141 CG GLN A 73 4.874 7.048 9.492 1.00 0.00 C ATOM 1142 CD GLN A 73 4.198 8.412 9.613 1.00 0.00 C ATOM 1143 OE1 GLN A 73 3.158 8.677 9.021 1.00 0.00 O ATOM 1144 NE2 GLN A 73 4.758 9.324 10.378 1.00 0.00 N ATOM 0 H GLN A 73 5.343 5.255 7.137 1.00 0.00 H new ATOM 0 HA GLN A 73 5.097 8.099 6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.670 6.143 8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.785 7.877 8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.161 6.329 9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.154 6.697 10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.624 9.112 10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.327 10.243 10.475 1.00 0.00 H new