USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 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= -0.178 X(o=-2,f=-1.9) USER MOD Set 1.2: A 48 MET CE :methyl -141:sc= -1.11 (180deg=-2.28!) USER MOD Set 1.3: A 58 ASN : amide:sc= -0.673 K(o=-2,f=-7.4!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -170:sc= 0.0676 (180deg=-0.0303) USER MOD Set 2.2: A 55 SER OG : rot 120:sc= 0.0465 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 27 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.52) USER MOD Single : A 30 MET CE :methyl 149:sc=-0.00142 (180deg=-2.21) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -163:sc= -0.654 (180deg=-2.01) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.17) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 0.36 (180deg=0.358) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.034) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -1:sc= 0.76 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=-0.16) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.010 6.249 13.799 1.00 0.00 N ATOM 331 CA ASP A 23 -14.689 5.102 14.434 1.00 0.00 C ATOM 332 C ASP A 23 -13.887 3.785 14.334 1.00 0.00 C ATOM 333 O ASP A 23 -14.074 2.874 15.147 1.00 0.00 O ATOM 334 CB ASP A 23 -16.089 4.925 13.829 1.00 0.00 C ATOM 335 CG ASP A 23 -17.050 6.047 14.254 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.397 6.124 15.458 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.477 6.846 13.386 1.00 0.00 O ATOM 0 HA ASP A 23 -14.769 5.330 15.497 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.014 4.906 12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.497 3.963 14.137 1.00 0.00 H new ATOM 342 N THR A 24 -12.937 3.701 13.394 1.00 0.00 N ATOM 343 CA THR A 24 -11.983 2.588 13.280 1.00 0.00 C ATOM 344 C THR A 24 -11.064 2.456 14.507 1.00 0.00 C ATOM 345 O THR A 24 -10.641 1.348 14.833 1.00 0.00 O ATOM 346 CB THR A 24 -11.171 2.678 11.975 1.00 0.00 C ATOM 347 OG1 THR A 24 -12.055 2.674 10.871 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.216 1.503 11.760 1.00 0.00 C ATOM 0 H THR A 24 -12.807 4.416 12.679 1.00 0.00 H new ATOM 0 HA THR A 24 -12.578 1.675 13.246 1.00 0.00 H new ATOM 0 HB THR A 24 -10.587 3.595 12.056 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.540 2.733 10.039 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.680 1.637 10.821 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.502 1.459 12.583 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.785 0.574 11.723 1.00 0.00 H new ATOM 356 N ILE A 25 -10.815 3.541 15.252 1.00 0.00 N ATOM 357 CA ILE A 25 -10.097 3.519 16.541 1.00 0.00 C ATOM 358 C ILE A 25 -10.862 2.670 17.568 1.00 0.00 C ATOM 359 O ILE A 25 -10.275 1.805 18.219 1.00 0.00 O ATOM 360 CB ILE A 25 -9.862 4.960 17.058 1.00 0.00 C ATOM 361 CG1 ILE A 25 -8.912 5.744 16.119 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.289 4.958 18.485 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.075 7.266 16.191 1.00 0.00 C ATOM 0 H ILE A 25 -11.111 4.477 14.974 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.121 3.059 16.390 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.833 5.455 17.072 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.882 5.488 16.366 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.084 5.419 15.093 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.136 5.985 18.817 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.988 4.460 19.157 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.336 4.428 18.494 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.374 7.740 15.504 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.094 7.536 15.914 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.873 7.606 17.207 1.00 0.00 H new ATOM 375 N PHE A 26 -12.173 2.901 17.713 1.00 0.00 N ATOM 376 CA PHE A 26 -13.015 2.170 18.666 1.00 0.00 C ATOM 377 C PHE A 26 -13.208 0.701 18.250 1.00 0.00 C ATOM 378 O PHE A 26 -13.090 -0.197 19.088 1.00 0.00 O ATOM 379 CB PHE A 26 -14.361 2.892 18.853 1.00 0.00 C ATOM 380 CG PHE A 26 -15.008 2.634 20.205 1.00 0.00 C ATOM 381 CD1 PHE A 26 -15.638 1.404 20.479 1.00 0.00 C ATOM 382 CD2 PHE A 26 -14.954 3.620 21.210 1.00 0.00 C ATOM 383 CE1 PHE A 26 -16.194 1.159 21.749 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.520 3.380 22.476 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.135 2.146 22.748 1.00 0.00 C ATOM 0 H PHE A 26 -12.680 3.601 17.172 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.502 2.154 19.628 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.208 3.964 18.731 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -15.046 2.576 18.066 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.695 0.646 19.712 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.475 4.567 21.007 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.667 0.210 21.956 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.482 4.144 23.238 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.561 1.957 23.722 1.00 0.00 H new ATOM 395 N GLN A 27 -13.478 0.437 16.964 1.00 0.00 N ATOM 396 CA GLN A 27 -13.701 -0.930 16.465 1.00 0.00 C ATOM 397 C GLN A 27 -12.431 -1.804 16.454 1.00 0.00 C ATOM 398 O GLN A 27 -12.549 -3.032 16.461 1.00 0.00 O ATOM 399 CB GLN A 27 -14.396 -0.900 15.086 1.00 0.00 C ATOM 400 CG GLN A 27 -13.442 -0.900 13.876 1.00 0.00 C ATOM 401 CD GLN A 27 -14.110 -0.527 12.548 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.310 -0.307 12.434 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.351 -0.433 11.477 1.00 0.00 N ATOM 0 H GLN A 27 -13.548 1.157 16.245 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.368 -1.414 17.178 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.056 -1.764 15.009 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.026 -0.012 15.033 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.628 -0.201 14.069 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.996 -1.890 13.780 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.349 -0.611 11.545 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.765 -0.182 10.579 1.00 0.00 H new ATOM 412 N ASN A 28 -11.231 -1.202 16.427 1.00 0.00 N ATOM 413 CA ASN A 28 -9.966 -1.914 16.225 1.00 0.00 C ATOM 414 C ASN A 28 -8.926 -1.649 17.345 1.00 0.00 C ATOM 415 O ASN A 28 -8.189 -0.661 17.280 1.00 0.00 O ATOM 416 CB ASN A 28 -9.441 -1.639 14.803 1.00 0.00 C ATOM 417 CG ASN A 28 -8.758 -2.888 14.288 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.348 -3.720 13.617 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.530 -3.113 14.683 1.00 0.00 N ATOM 0 H ASN A 28 -11.114 -0.196 16.547 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.156 -2.984 16.306 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.263 -1.359 14.144 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.742 -0.803 14.813 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.065 -3.985 14.430 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.039 -2.417 15.244 1.00 0.00 H new ATOM 426 N PRO A 29 -8.804 -2.529 18.361 1.00 0.00 N ATOM 427 CA PRO A 29 -7.989 -2.285 19.560 1.00 0.00 C ATOM 428 C PRO A 29 -6.475 -2.223 19.290 1.00 0.00 C ATOM 429 O PRO A 29 -5.734 -1.598 20.053 1.00 0.00 O ATOM 430 CB PRO A 29 -8.337 -3.427 20.522 1.00 0.00 C ATOM 431 CG PRO A 29 -8.740 -4.566 19.588 1.00 0.00 C ATOM 432 CD PRO A 29 -9.444 -3.836 18.449 1.00 0.00 C ATOM 0 HA PRO A 29 -8.218 -1.302 19.971 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.486 -3.701 21.145 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.150 -3.152 21.195 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.874 -5.126 19.235 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.401 -5.279 20.081 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.344 -4.384 17.512 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.511 -3.737 18.648 1.00 0.00 H new ATOM 440 N MET A 30 -6.015 -2.803 18.173 1.00 0.00 N ATOM 441 CA MET A 30 -4.629 -2.704 17.685 1.00 0.00 C ATOM 442 C MET A 30 -4.185 -1.253 17.449 1.00 0.00 C ATOM 443 O MET A 30 -2.987 -0.969 17.484 1.00 0.00 O ATOM 444 CB MET A 30 -4.469 -3.475 16.367 1.00 0.00 C ATOM 445 CG MET A 30 -4.832 -4.963 16.454 1.00 0.00 C ATOM 446 SD MET A 30 -5.055 -5.792 14.851 1.00 0.00 S ATOM 447 CE MET A 30 -3.494 -5.397 14.021 1.00 0.00 C ATOM 0 H MET A 30 -6.610 -3.369 17.567 1.00 0.00 H new ATOM 0 HA MET A 30 -4.001 -3.134 18.465 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.094 -3.005 15.607 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.436 -3.385 16.031 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.050 -5.481 17.009 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.752 -5.065 17.030 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.228 -6.207 13.342 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.606 -4.472 13.456 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.707 -5.275 14.765 1.00 0.00 H new ATOM 457 N VAL A 31 -5.134 -0.330 17.235 1.00 0.00 N ATOM 458 CA VAL A 31 -4.848 1.099 17.082 1.00 0.00 C ATOM 459 C VAL A 31 -4.152 1.630 18.334 1.00 0.00 C ATOM 460 O VAL A 31 -3.015 2.082 18.249 1.00 0.00 O ATOM 461 CB VAL A 31 -6.108 1.917 16.726 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.799 3.420 16.713 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.690 1.516 15.357 1.00 0.00 C ATOM 0 H VAL A 31 -6.126 -0.558 17.163 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.170 1.218 16.237 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.847 1.698 17.496 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.702 3.975 16.460 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.448 3.728 17.698 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.027 3.626 15.972 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.575 2.117 15.148 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.944 1.686 14.581 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.963 0.461 15.373 1.00 0.00 H new ATOM 473 N GLN A 32 -4.788 1.521 19.503 1.00 0.00 N ATOM 474 CA GLN A 32 -4.258 2.045 20.770 1.00 0.00 C ATOM 475 C GLN A 32 -2.840 1.533 21.079 1.00 0.00 C ATOM 476 O GLN A 32 -1.970 2.310 21.471 1.00 0.00 O ATOM 477 CB GLN A 32 -5.214 1.711 21.928 1.00 0.00 C ATOM 478 CG GLN A 32 -6.651 2.205 21.684 1.00 0.00 C ATOM 479 CD GLN A 32 -7.442 2.291 22.987 1.00 0.00 C ATOM 480 OE1 GLN A 32 -8.147 1.373 23.389 1.00 0.00 O ATOM 481 NE2 GLN A 32 -7.349 3.393 23.703 1.00 0.00 N ATOM 0 H GLN A 32 -5.694 1.063 19.600 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.186 3.127 20.661 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.228 0.632 22.080 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.833 2.158 22.846 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.624 3.185 21.208 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.157 1.530 20.994 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.765 4.164 23.379 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.861 3.475 24.582 1.00 0.00 H new ATOM 490 N GLU A 33 -2.588 0.240 20.850 1.00 0.00 N ATOM 491 CA GLU A 33 -1.266 -0.386 20.977 1.00 0.00 C ATOM 492 C GLU A 33 -0.216 0.239 20.039 1.00 0.00 C ATOM 493 O GLU A 33 0.913 0.476 20.467 1.00 0.00 O ATOM 494 CB GLU A 33 -1.412 -1.899 20.746 1.00 0.00 C ATOM 495 CG GLU A 33 -0.091 -2.682 20.653 1.00 0.00 C ATOM 496 CD GLU A 33 0.840 -2.544 21.877 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.354 -2.317 23.012 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.073 -2.715 21.717 1.00 0.00 O ATOM 0 H GLU A 33 -3.314 -0.417 20.564 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.892 -0.205 21.985 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.007 -2.318 21.558 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.974 -2.056 19.825 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.322 -3.737 20.509 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.449 -2.350 19.766 1.00 0.00 H new ATOM 505 N ALA A 34 -0.570 0.546 18.786 1.00 0.00 N ATOM 506 CA ALA A 34 0.314 1.257 17.867 1.00 0.00 C ATOM 507 C ALA A 34 0.697 2.653 18.410 1.00 0.00 C ATOM 508 O ALA A 34 1.886 2.913 18.596 1.00 0.00 O ATOM 509 CB ALA A 34 -0.304 1.284 16.466 1.00 0.00 C ATOM 0 H ALA A 34 -1.477 0.307 18.385 1.00 0.00 H new ATOM 0 HA ALA A 34 1.258 0.719 17.785 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.361 1.816 15.785 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.446 0.263 16.111 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.268 1.792 16.503 1.00 0.00 H new ATOM 515 N ILE A 35 -0.261 3.536 18.747 1.00 0.00 N ATOM 516 CA ILE A 35 0.064 4.844 19.369 1.00 0.00 C ATOM 517 C ILE A 35 0.942 4.682 20.619 1.00 0.00 C ATOM 518 O ILE A 35 1.912 5.425 20.786 1.00 0.00 O ATOM 519 CB ILE A 35 -1.187 5.698 19.691 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.895 6.174 18.403 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.829 6.952 20.515 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.157 5.362 18.129 1.00 0.00 C ATOM 0 H ILE A 35 -1.258 3.375 18.603 1.00 0.00 H new ATOM 0 HA ILE A 35 0.633 5.388 18.615 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.848 5.051 20.268 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.152 7.229 18.496 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.213 6.086 17.557 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.734 7.524 20.720 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.370 6.650 21.456 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.129 7.570 19.952 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.631 5.723 17.216 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.895 4.311 18.011 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.849 5.472 18.964 1.00 0.00 H new ATOM 534 N ARG A 36 0.658 3.692 21.474 1.00 0.00 N ATOM 535 CA ARG A 36 1.422 3.402 22.701 1.00 0.00 C ATOM 536 C ARG A 36 2.914 3.104 22.456 1.00 0.00 C ATOM 537 O ARG A 36 3.731 3.389 23.334 1.00 0.00 O ATOM 538 CB ARG A 36 0.703 2.278 23.469 1.00 0.00 C ATOM 539 CG ARG A 36 1.291 2.012 24.861 1.00 0.00 C ATOM 540 CD ARG A 36 0.477 0.970 25.637 1.00 0.00 C ATOM 541 NE ARG A 36 -0.808 1.514 26.125 1.00 0.00 N ATOM 542 CZ ARG A 36 -1.602 0.973 27.033 1.00 0.00 C ATOM 543 NH1 ARG A 36 -1.349 -0.188 27.569 1.00 0.00 N ATOM 544 NH2 ARG A 36 -2.676 1.595 27.429 1.00 0.00 N ATOM 0 H ARG A 36 -0.126 3.055 21.332 1.00 0.00 H new ATOM 0 HA ARG A 36 1.443 4.304 23.312 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.351 2.536 23.572 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.750 1.361 22.882 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.320 1.667 24.760 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.321 2.943 25.426 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.285 0.110 24.995 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.062 0.611 26.484 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.114 2.398 25.719 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.517 -0.708 27.290 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.983 -0.576 28.267 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.910 2.507 27.038 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.283 1.170 28.130 1.00 0.00 H new ATOM 558 N MET A 37 3.303 2.620 21.270 1.00 0.00 N ATOM 559 CA MET A 37 4.718 2.471 20.869 1.00 0.00 C ATOM 560 C MET A 37 5.414 3.792 20.461 1.00 0.00 C ATOM 561 O MET A 37 6.613 3.785 20.174 1.00 0.00 O ATOM 562 CB MET A 37 4.866 1.454 19.726 1.00 0.00 C ATOM 563 CG MET A 37 4.411 0.035 20.091 1.00 0.00 C ATOM 564 SD MET A 37 5.394 -1.303 19.343 1.00 0.00 S ATOM 565 CE MET A 37 5.564 -0.707 17.638 1.00 0.00 C ATOM 0 H MET A 37 2.644 2.317 20.553 1.00 0.00 H new ATOM 0 HA MET A 37 5.220 2.114 21.768 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.289 1.800 18.868 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.910 1.421 19.415 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.443 -0.073 21.175 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.371 -0.086 19.789 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.868 -1.531 16.993 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.609 -0.310 17.294 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.318 0.079 17.601 1.00 0.00 H new ATOM 575 N GLY A 38 4.696 4.919 20.420 1.00 0.00 N ATOM 576 CA GLY A 38 5.209 6.247 20.045 1.00 0.00 C ATOM 577 C GLY A 38 4.746 6.758 18.672 1.00 0.00 C ATOM 578 O GLY A 38 5.271 7.766 18.191 1.00 0.00 O ATOM 0 H GLY A 38 3.704 4.935 20.655 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.904 6.966 20.805 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.298 6.215 20.056 1.00 0.00 H new ATOM 582 N PHE A 39 3.788 6.084 18.024 1.00 0.00 N ATOM 583 CA PHE A 39 3.127 6.565 16.802 1.00 0.00 C ATOM 584 C PHE A 39 2.084 7.673 17.079 1.00 0.00 C ATOM 585 O PHE A 39 1.791 8.014 18.227 1.00 0.00 O ATOM 586 CB PHE A 39 2.490 5.375 16.070 1.00 0.00 C ATOM 587 CG PHE A 39 3.470 4.468 15.351 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.097 4.922 14.174 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.733 3.166 15.816 1.00 0.00 C ATOM 590 CE1 PHE A 39 4.983 4.082 13.478 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.601 2.319 15.111 1.00 0.00 C ATOM 592 CZ PHE A 39 5.220 2.777 13.940 1.00 0.00 C ATOM 0 H PHE A 39 3.444 5.176 18.337 1.00 0.00 H new ATOM 0 HA PHE A 39 3.887 7.023 16.168 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.930 4.781 16.792 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.771 5.756 15.345 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.896 5.917 13.806 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.263 2.816 16.723 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.481 4.440 12.589 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.791 1.318 15.469 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.882 2.124 13.391 1.00 0.00 H new ATOM 602 N SER A 40 1.503 8.225 16.010 1.00 0.00 N ATOM 603 CA SER A 40 0.506 9.308 16.016 1.00 0.00 C ATOM 604 C SER A 40 -0.894 8.761 15.722 1.00 0.00 C ATOM 605 O SER A 40 -1.050 7.992 14.775 1.00 0.00 O ATOM 606 CB SER A 40 0.868 10.319 14.918 1.00 0.00 C ATOM 607 OG SER A 40 2.198 10.786 15.072 1.00 0.00 O ATOM 0 H SER A 40 1.725 7.914 15.064 1.00 0.00 H new ATOM 0 HA SER A 40 0.507 9.777 17.000 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.754 9.854 13.939 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.177 11.161 14.953 1.00 0.00 H new ATOM 0 HG SER A 40 2.404 11.427 14.360 1.00 0.00 H new ATOM 613 N PHE A 41 -1.933 9.186 16.457 1.00 0.00 N ATOM 614 CA PHE A 41 -3.322 8.741 16.221 1.00 0.00 C ATOM 615 C PHE A 41 -3.762 8.912 14.759 1.00 0.00 C ATOM 616 O PHE A 41 -4.299 7.968 14.176 1.00 0.00 O ATOM 617 CB PHE A 41 -4.310 9.424 17.190 1.00 0.00 C ATOM 618 CG PHE A 41 -4.721 8.567 18.376 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.707 7.574 18.216 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.121 8.749 19.637 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.074 6.758 19.301 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.490 7.931 20.722 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.465 6.934 20.554 1.00 0.00 C ATOM 0 H PHE A 41 -1.839 9.845 17.230 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.339 7.671 16.426 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.858 10.344 17.561 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.204 9.709 16.636 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.183 7.439 17.256 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.375 9.519 19.772 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.826 5.994 19.170 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.022 8.070 21.685 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.745 6.305 21.386 1.00 0.00 H new ATOM 633 N LYS A 42 -3.467 10.076 14.156 1.00 0.00 N ATOM 634 CA LYS A 42 -3.688 10.376 12.729 1.00 0.00 C ATOM 635 C LYS A 42 -3.057 9.337 11.803 1.00 0.00 C ATOM 636 O LYS A 42 -3.695 8.916 10.843 1.00 0.00 O ATOM 637 CB LYS A 42 -3.224 11.813 12.409 1.00 0.00 C ATOM 638 CG LYS A 42 -3.336 12.199 10.915 1.00 0.00 C ATOM 639 CD LYS A 42 -2.059 11.932 10.091 1.00 0.00 C ATOM 640 CE LYS A 42 -1.002 13.031 10.282 1.00 0.00 C ATOM 641 NZ LYS A 42 0.361 12.532 9.958 1.00 0.00 N ATOM 0 H LYS A 42 -3.055 10.859 14.663 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.759 10.317 12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.816 12.513 12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.187 11.927 12.725 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.163 11.646 10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.585 13.258 10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.636 10.970 10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.319 11.860 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.241 13.883 9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.026 13.387 11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.071 13.158 10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.476 11.569 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.490 12.520 8.926 1.00 0.00 H new ATOM 655 N ASP A 43 -1.823 8.916 12.067 1.00 0.00 N ATOM 656 CA ASP A 43 -1.125 7.931 11.238 1.00 0.00 C ATOM 657 C ASP A 43 -1.785 6.554 11.330 1.00 0.00 C ATOM 658 O ASP A 43 -1.948 5.895 10.303 1.00 0.00 O ATOM 659 CB ASP A 43 0.363 7.856 11.604 1.00 0.00 C ATOM 660 CG ASP A 43 1.134 9.023 10.970 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.896 10.189 11.366 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.937 8.775 10.040 1.00 0.00 O ATOM 0 H ASP A 43 -1.276 9.247 12.862 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.199 8.262 10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.478 7.882 12.688 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.780 6.909 11.262 1.00 0.00 H new ATOM 667 N ILE A 44 -2.218 6.135 12.526 1.00 0.00 N ATOM 668 CA ILE A 44 -2.873 4.832 12.691 1.00 0.00 C ATOM 669 C ILE A 44 -4.242 4.795 12.006 1.00 0.00 C ATOM 670 O ILE A 44 -4.516 3.880 11.228 1.00 0.00 O ATOM 671 CB ILE A 44 -3.002 4.378 14.154 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.790 4.662 15.056 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.272 2.862 14.125 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.448 4.222 14.493 1.00 0.00 C ATOM 0 H ILE A 44 -2.128 6.675 13.387 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.208 4.121 12.201 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.809 4.961 14.598 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.749 5.733 15.256 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.945 4.165 16.013 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.372 2.491 15.145 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.193 2.667 13.576 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.442 2.354 13.633 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.342 4.466 15.203 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.461 3.146 14.320 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.262 4.738 13.551 1.00 0.00 H new ATOM 686 N LYS A 45 -5.108 5.789 12.245 1.00 0.00 N ATOM 687 CA LYS A 45 -6.403 5.881 11.547 1.00 0.00 C ATOM 688 C LYS A 45 -6.232 5.982 10.026 1.00 0.00 C ATOM 689 O LYS A 45 -6.940 5.278 9.308 1.00 0.00 O ATOM 690 CB LYS A 45 -7.305 6.977 12.146 1.00 0.00 C ATOM 691 CG LYS A 45 -6.748 8.411 12.102 1.00 0.00 C ATOM 692 CD LYS A 45 -7.084 9.242 10.854 1.00 0.00 C ATOM 693 CE LYS A 45 -8.535 9.715 10.874 1.00 0.00 C ATOM 694 NZ LYS A 45 -8.887 10.413 9.615 1.00 0.00 N ATOM 0 H LYS A 45 -4.938 6.540 12.914 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.933 4.944 11.716 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.259 6.963 11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.512 6.721 13.185 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.116 8.946 12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.663 8.358 12.194 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.419 10.104 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.906 8.645 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.197 8.861 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.691 10.384 11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.868 10.753 9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.247 11.221 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.793 9.755 8.815 1.00 0.00 H new ATOM 708 N LYS A 46 -5.260 6.770 9.540 1.00 0.00 N ATOM 709 CA LYS A 46 -4.940 6.936 8.110 1.00 0.00 C ATOM 710 C LYS A 46 -4.484 5.627 7.476 1.00 0.00 C ATOM 711 O LYS A 46 -5.010 5.248 6.430 1.00 0.00 O ATOM 712 CB LYS A 46 -3.923 8.071 7.922 1.00 0.00 C ATOM 713 CG LYS A 46 -3.392 8.236 6.485 1.00 0.00 C ATOM 714 CD LYS A 46 -2.779 9.638 6.303 1.00 0.00 C ATOM 715 CE LYS A 46 -1.552 9.669 5.378 1.00 0.00 C ATOM 716 NZ LYS A 46 -1.895 9.503 3.941 1.00 0.00 N ATOM 0 H LYS A 46 -4.657 7.326 10.147 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.851 7.220 7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.385 9.008 8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.078 7.896 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.642 7.473 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.202 8.090 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.540 10.307 5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.494 10.028 7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.028 10.615 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.863 8.878 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.026 9.533 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.370 8.588 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.530 10.272 3.645 1.00 0.00 H new ATOM 730 N ILE A 47 -3.542 4.914 8.098 1.00 0.00 N ATOM 731 CA ILE A 47 -3.094 3.626 7.564 1.00 0.00 C ATOM 732 C ILE A 47 -4.195 2.565 7.610 1.00 0.00 C ATOM 733 O ILE A 47 -4.330 1.812 6.652 1.00 0.00 O ATOM 734 CB ILE A 47 -1.784 3.151 8.216 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.092 2.197 7.234 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.961 2.490 9.591 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.329 1.862 7.667 1.00 0.00 C ATOM 0 H ILE A 47 -3.080 5.202 8.961 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.870 3.784 6.509 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.173 4.032 8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.672 1.278 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.071 2.650 6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.988 2.186 9.977 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.419 3.200 10.280 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.602 1.614 9.494 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.780 1.184 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.918 2.778 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.308 1.384 8.646 1.00 0.00 H new ATOM 749 N MET A 48 -5.017 2.523 8.666 1.00 0.00 N ATOM 750 CA MET A 48 -6.166 1.619 8.753 1.00 0.00 C ATOM 751 C MET A 48 -7.193 1.890 7.647 1.00 0.00 C ATOM 752 O MET A 48 -7.491 0.984 6.868 1.00 0.00 O ATOM 753 CB MET A 48 -6.819 1.696 10.140 1.00 0.00 C ATOM 754 CG MET A 48 -6.002 0.955 11.204 1.00 0.00 C ATOM 755 SD MET A 48 -6.927 -0.376 12.016 1.00 0.00 S ATOM 756 CE MET A 48 -5.536 -1.319 12.686 1.00 0.00 C ATOM 0 H MET A 48 -4.902 3.118 9.486 1.00 0.00 H new ATOM 0 HA MET A 48 -5.793 0.605 8.605 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.929 2.741 10.431 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.822 1.271 10.092 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.108 0.537 10.741 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.667 1.668 11.957 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.741 -2.386 12.592 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.630 -1.073 12.132 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.398 -1.067 13.738 1.00 0.00 H new ATOM 766 N GLU A 49 -7.721 3.117 7.547 1.00 0.00 N ATOM 767 CA GLU A 49 -8.696 3.470 6.506 1.00 0.00 C ATOM 768 C GLU A 49 -8.142 3.202 5.095 1.00 0.00 C ATOM 769 O GLU A 49 -8.827 2.583 4.285 1.00 0.00 O ATOM 770 CB GLU A 49 -9.253 4.903 6.682 1.00 0.00 C ATOM 771 CG GLU A 49 -8.293 6.045 6.322 1.00 0.00 C ATOM 772 CD GLU A 49 -8.885 7.446 6.601 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.722 7.916 5.791 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.492 8.114 7.592 1.00 0.00 O ATOM 0 H GLU A 49 -7.488 3.885 8.177 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.554 2.809 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.149 5.001 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.561 5.027 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.370 5.928 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.030 5.972 5.267 1.00 0.00 H new ATOM 781 N GLU A 50 -6.888 3.575 4.812 1.00 0.00 N ATOM 782 CA GLU A 50 -6.222 3.314 3.530 1.00 0.00 C ATOM 783 C GLU A 50 -6.031 1.811 3.258 1.00 0.00 C ATOM 784 O GLU A 50 -6.401 1.342 2.182 1.00 0.00 O ATOM 785 CB GLU A 50 -4.895 4.086 3.471 1.00 0.00 C ATOM 786 CG GLU A 50 -4.184 3.937 2.116 1.00 0.00 C ATOM 787 CD GLU A 50 -3.040 4.958 1.925 1.00 0.00 C ATOM 788 OE1 GLU A 50 -2.353 5.332 2.908 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.807 5.393 0.771 1.00 0.00 O ATOM 0 H GLU A 50 -6.298 4.074 5.478 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.870 3.674 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.084 5.142 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.237 3.731 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.782 2.927 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.912 4.059 1.314 1.00 0.00 H new ATOM 796 N LYS A 51 -5.517 1.032 4.220 1.00 0.00 N ATOM 797 CA LYS A 51 -5.369 -0.432 4.125 1.00 0.00 C ATOM 798 C LYS A 51 -6.683 -1.091 3.729 1.00 0.00 C ATOM 799 O LYS A 51 -6.716 -1.830 2.750 1.00 0.00 O ATOM 800 CB LYS A 51 -4.828 -0.999 5.453 1.00 0.00 C ATOM 801 CG LYS A 51 -4.734 -2.535 5.518 1.00 0.00 C ATOM 802 CD LYS A 51 -3.738 -3.128 4.509 1.00 0.00 C ATOM 803 CE LYS A 51 -3.421 -4.597 4.829 1.00 0.00 C ATOM 804 NZ LYS A 51 -4.593 -5.497 4.642 1.00 0.00 N ATOM 0 H LYS A 51 -5.184 1.409 5.108 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.647 -0.659 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.837 -0.582 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.469 -0.655 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.440 -2.831 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.721 -2.960 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.150 -3.054 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.817 -2.545 4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.605 -4.935 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.072 -4.672 5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.374 -6.437 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.417 -5.101 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.807 -5.582 3.628 1.00 0.00 H new ATOM 818 N ILE A 52 -7.763 -0.826 4.461 1.00 0.00 N ATOM 819 CA ILE A 52 -9.071 -1.452 4.222 1.00 0.00 C ATOM 820 C ILE A 52 -9.683 -0.958 2.897 1.00 0.00 C ATOM 821 O ILE A 52 -10.242 -1.759 2.151 1.00 0.00 O ATOM 822 CB ILE A 52 -10.017 -1.214 5.419 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.403 -1.692 6.760 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.355 -1.944 5.205 1.00 0.00 C ATOM 825 CD1 ILE A 52 -9.873 -0.849 7.950 1.00 0.00 C ATOM 0 H ILE A 52 -7.760 -0.169 5.241 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.928 -2.529 4.129 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.177 -0.137 5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.671 -2.735 6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.316 -1.649 6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.008 -1.764 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.832 -1.571 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.174 -3.014 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.415 -1.224 8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.581 0.190 7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.958 -0.912 8.035 1.00 0.00 H new ATOM 837 N GLN A 53 -9.537 0.328 2.559 1.00 0.00 N ATOM 838 CA GLN A 53 -10.014 0.912 1.296 1.00 0.00 C ATOM 839 C GLN A 53 -9.309 0.321 0.058 1.00 0.00 C ATOM 840 O GLN A 53 -9.961 0.077 -0.960 1.00 0.00 O ATOM 841 CB GLN A 53 -9.852 2.442 1.370 1.00 0.00 C ATOM 842 CG GLN A 53 -10.429 3.217 0.177 1.00 0.00 C ATOM 843 CD GLN A 53 -11.937 3.021 0.018 1.00 0.00 C ATOM 844 OE1 GLN A 53 -12.735 3.339 0.893 1.00 0.00 O ATOM 845 NE2 GLN A 53 -12.394 2.488 -1.095 1.00 0.00 N ATOM 0 H GLN A 53 -9.076 1.006 3.165 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.067 0.659 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.332 2.799 2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.791 2.676 1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.216 4.279 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.927 2.896 -0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.746 2.217 -1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.396 2.346 -1.218 1.00 0.00 H new ATOM 854 N ILE A 54 -7.991 0.091 0.129 1.00 0.00 N ATOM 855 CA ILE A 54 -7.165 -0.448 -0.966 1.00 0.00 C ATOM 856 C ILE A 54 -7.224 -1.989 -1.022 1.00 0.00 C ATOM 857 O ILE A 54 -7.539 -2.557 -2.071 1.00 0.00 O ATOM 858 CB ILE A 54 -5.715 0.091 -0.847 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.646 1.636 -0.968 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.770 -0.553 -1.877 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.012 2.238 -2.334 1.00 0.00 C ATOM 0 H ILE A 54 -7.452 0.280 0.974 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.572 -0.102 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.380 -0.188 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.309 2.066 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.634 1.952 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.767 -0.145 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.744 -1.632 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.129 -0.339 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.925 3.324 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.335 1.851 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.037 1.967 -2.588 1.00 0.00 H new ATOM 873 N SER A 55 -6.919 -2.675 0.086 1.00 0.00 N ATOM 874 CA SER A 55 -6.851 -4.145 0.202 1.00 0.00 C ATOM 875 C SER A 55 -8.234 -4.813 0.243 1.00 0.00 C ATOM 876 O SER A 55 -8.473 -5.793 -0.467 1.00 0.00 O ATOM 877 CB SER A 55 -6.067 -4.508 1.475 1.00 0.00 C ATOM 878 OG SER A 55 -5.707 -5.878 1.554 1.00 0.00 O ATOM 0 H SER A 55 -6.703 -2.206 0.965 1.00 0.00 H new ATOM 0 HA SER A 55 -6.349 -4.519 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.163 -3.901 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.668 -4.249 2.347 1.00 0.00 H new ATOM 0 HG SER A 55 -4.731 -5.958 1.599 1.00 0.00 H new ATOM 884 N GLY A 56 -9.138 -4.305 1.090 1.00 0.00 N ATOM 885 CA GLY A 56 -10.493 -4.831 1.334 1.00 0.00 C ATOM 886 C GLY A 56 -10.727 -5.408 2.742 1.00 0.00 C ATOM 887 O GLY A 56 -11.874 -5.675 3.106 1.00 0.00 O ATOM 0 H GLY A 56 -8.938 -3.477 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.213 -4.031 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.701 -5.610 0.600 1.00 0.00 H new ATOM 891 N SER A 57 -9.672 -5.586 3.546 1.00 0.00 N ATOM 892 CA SER A 57 -9.720 -6.102 4.926 1.00 0.00 C ATOM 893 C SER A 57 -8.707 -5.405 5.848 1.00 0.00 C ATOM 894 O SER A 57 -7.715 -4.826 5.390 1.00 0.00 O ATOM 895 CB SER A 57 -9.492 -7.624 4.930 1.00 0.00 C ATOM 896 OG SER A 57 -8.249 -7.980 4.336 1.00 0.00 O ATOM 0 H SER A 57 -8.723 -5.367 3.244 1.00 0.00 H new ATOM 0 HA SER A 57 -10.712 -5.883 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.522 -7.992 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.304 -8.113 4.392 1.00 0.00 H new ATOM 0 HG SER A 57 -8.142 -8.954 4.360 1.00 0.00 H new ATOM 902 N ASN A 58 -8.953 -5.470 7.161 1.00 0.00 N ATOM 903 CA ASN A 58 -8.092 -4.889 8.197 1.00 0.00 C ATOM 904 C ASN A 58 -6.759 -5.662 8.357 1.00 0.00 C ATOM 905 O ASN A 58 -6.546 -6.714 7.746 1.00 0.00 O ATOM 906 CB ASN A 58 -8.904 -4.798 9.511 1.00 0.00 C ATOM 907 CG ASN A 58 -8.524 -3.585 10.349 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.369 -3.359 10.675 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.465 -2.736 10.685 1.00 0.00 N ATOM 0 H ASN A 58 -9.775 -5.939 7.542 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.790 -3.884 7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.967 -4.754 9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.745 -5.704 10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.229 -1.896 11.214 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.433 -2.915 10.418 1.00 0.00 H new ATOM 916 N TYR A 59 -5.855 -5.142 9.187 1.00 0.00 N ATOM 917 CA TYR A 59 -4.611 -5.795 9.596 1.00 0.00 C ATOM 918 C TYR A 59 -4.853 -7.059 10.441 1.00 0.00 C ATOM 919 O TYR A 59 -5.855 -7.180 11.152 1.00 0.00 O ATOM 920 CB TYR A 59 -3.749 -4.774 10.357 1.00 0.00 C ATOM 921 CG TYR A 59 -3.094 -3.765 9.435 1.00 0.00 C ATOM 922 CD1 TYR A 59 -2.006 -4.187 8.653 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.584 -2.449 9.309 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.409 -3.308 7.737 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.970 -1.554 8.406 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.891 -1.992 7.605 1.00 0.00 C ATOM 927 OH TYR A 59 -1.346 -1.180 6.665 1.00 0.00 O ATOM 0 H TYR A 59 -5.973 -4.221 9.609 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.088 -6.134 8.702 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.370 -4.249 11.083 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.978 -5.301 10.919 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.627 -5.193 8.757 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.427 -2.126 9.902 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.579 -3.641 7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.324 -0.537 8.327 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.634 -1.659 6.192 1.00 0.00 H new ATOM 937 N LYS A 60 -3.899 -7.998 10.375 1.00 0.00 N ATOM 938 CA LYS A 60 -3.905 -9.278 11.109 1.00 0.00 C ATOM 939 C LYS A 60 -3.374 -9.134 12.539 1.00 0.00 C ATOM 940 O LYS A 60 -4.058 -9.499 13.498 1.00 0.00 O ATOM 941 CB LYS A 60 -3.071 -10.317 10.339 1.00 0.00 C ATOM 942 CG LYS A 60 -3.764 -10.775 9.045 1.00 0.00 C ATOM 943 CD LYS A 60 -2.918 -11.814 8.294 1.00 0.00 C ATOM 944 CE LYS A 60 -1.727 -11.162 7.574 1.00 0.00 C ATOM 945 NZ LYS A 60 -0.684 -12.163 7.224 1.00 0.00 N ATOM 0 H LYS A 60 -3.071 -7.886 9.789 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.940 -9.610 11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.097 -9.891 10.097 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.891 -11.181 10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.739 -11.201 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.941 -9.914 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.553 -12.563 8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.542 -12.335 7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.076 -10.667 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.293 -10.391 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.104 -11.688 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.334 -12.617 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.092 -12.884 6.596 1.00 0.00 H new ATOM 959 N SER A 61 -2.156 -8.605 12.660 1.00 0.00 N ATOM 960 CA SER A 61 -1.390 -8.455 13.906 1.00 0.00 C ATOM 961 C SER A 61 -0.588 -7.153 13.898 1.00 0.00 C ATOM 962 O SER A 61 -0.404 -6.532 12.844 1.00 0.00 O ATOM 963 CB SER A 61 -0.411 -9.631 14.078 1.00 0.00 C ATOM 964 OG SER A 61 -1.083 -10.880 14.047 1.00 0.00 O ATOM 0 H SER A 61 -1.647 -8.250 11.851 1.00 0.00 H new ATOM 0 HA SER A 61 -2.102 -8.439 14.731 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.338 -9.600 13.286 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.121 -9.527 15.024 1.00 0.00 H new ATOM 0 HG SER A 61 -0.432 -11.604 14.157 1.00 0.00 H new ATOM 970 N LEU A 62 -0.066 -6.757 15.064 1.00 0.00 N ATOM 971 CA LEU A 62 0.761 -5.555 15.202 1.00 0.00 C ATOM 972 C LEU A 62 1.995 -5.603 14.297 1.00 0.00 C ATOM 973 O LEU A 62 2.344 -4.575 13.742 1.00 0.00 O ATOM 974 CB LEU A 62 1.178 -5.319 16.667 1.00 0.00 C ATOM 975 CG LEU A 62 0.098 -4.804 17.638 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.564 -3.515 17.147 1.00 0.00 C ATOM 977 CD2 LEU A 62 -1.001 -5.824 17.938 1.00 0.00 C ATOM 0 H LEU A 62 -0.206 -7.262 15.939 1.00 0.00 H new ATOM 0 HA LEU A 62 0.145 -4.715 14.883 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.566 -6.258 17.062 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.003 -4.606 16.672 1.00 0.00 H new ATOM 0 HG LEU A 62 0.648 -4.610 18.559 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.317 -3.195 17.868 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.191 -2.736 17.041 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.038 -3.694 16.182 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.723 -5.388 18.628 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.505 -6.099 17.011 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.559 -6.713 18.389 1.00 0.00 H new ATOM 989 N GLU A 63 2.601 -6.772 14.070 1.00 0.00 N ATOM 990 CA GLU A 63 3.735 -6.950 13.147 1.00 0.00 C ATOM 991 C GLU A 63 3.501 -6.296 11.777 1.00 0.00 C ATOM 992 O GLU A 63 4.336 -5.513 11.320 1.00 0.00 O ATOM 993 CB GLU A 63 4.037 -8.447 12.959 1.00 0.00 C ATOM 994 CG GLU A 63 4.733 -9.089 14.166 1.00 0.00 C ATOM 995 CD GLU A 63 6.202 -8.633 14.286 1.00 0.00 C ATOM 996 OE1 GLU A 63 7.076 -9.201 13.586 1.00 0.00 O ATOM 997 OE2 GLU A 63 6.496 -7.710 15.082 1.00 0.00 O ATOM 0 H GLU A 63 2.316 -7.638 14.528 1.00 0.00 H new ATOM 0 HA GLU A 63 4.589 -6.449 13.603 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.104 -8.976 12.765 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.665 -8.575 12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.195 -8.828 15.078 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.695 -10.174 14.073 1.00 0.00 H new ATOM 1004 N VAL A 64 2.366 -6.583 11.128 1.00 0.00 N ATOM 1005 CA VAL A 64 2.020 -5.996 9.823 1.00 0.00 C ATOM 1006 C VAL A 64 1.638 -4.516 9.968 1.00 0.00 C ATOM 1007 O VAL A 64 2.063 -3.698 9.152 1.00 0.00 O ATOM 1008 CB VAL A 64 0.899 -6.778 9.107 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.833 -6.399 7.622 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.105 -8.298 9.166 1.00 0.00 C ATOM 0 H VAL A 64 1.662 -7.226 11.489 1.00 0.00 H new ATOM 0 HA VAL A 64 2.912 -6.066 9.200 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.020 -6.512 9.630 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.036 -6.963 7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.632 -5.332 7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.784 -6.633 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.287 -8.797 8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.050 -8.556 8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.125 -8.622 10.206 1.00 0.00 H new ATOM 1020 N LEU A 65 0.894 -4.153 11.023 1.00 0.00 N ATOM 1021 CA LEU A 65 0.499 -2.767 11.308 1.00 0.00 C ATOM 1022 C LEU A 65 1.732 -1.851 11.445 1.00 0.00 C ATOM 1023 O LEU A 65 1.876 -0.887 10.697 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.398 -2.703 12.571 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.697 -1.875 12.451 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -2.308 -1.637 13.843 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.548 -0.522 11.755 1.00 0.00 C ATOM 0 H LEU A 65 0.546 -4.822 11.710 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.084 -2.400 10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.667 -3.722 12.851 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.194 -2.293 13.390 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.347 -2.480 11.818 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.223 -1.052 13.744 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.539 -2.596 14.308 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.596 -1.094 14.465 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.516 -0.021 11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.839 0.095 12.307 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.184 -0.674 10.739 1.00 0.00 H new ATOM 1039 N VAL A 66 2.636 -2.157 12.384 1.00 0.00 N ATOM 1040 CA VAL A 66 3.845 -1.378 12.708 1.00 0.00 C ATOM 1041 C VAL A 66 4.852 -1.363 11.560 1.00 0.00 C ATOM 1042 O VAL A 66 5.446 -0.317 11.305 1.00 0.00 O ATOM 1043 CB VAL A 66 4.504 -1.807 14.039 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.476 -1.829 15.185 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.274 -3.132 13.964 1.00 0.00 C ATOM 0 H VAL A 66 2.544 -2.990 12.966 1.00 0.00 H new ATOM 0 HA VAL A 66 3.503 -0.353 12.850 1.00 0.00 H new ATOM 0 HB VAL A 66 5.255 -1.045 14.249 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.967 -2.134 16.109 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.051 -0.833 15.312 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.681 -2.535 14.947 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.704 -3.358 14.939 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.594 -3.932 13.673 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.072 -3.048 13.226 1.00 0.00 H new ATOM 1055 N ALA A 67 5.005 -2.472 10.826 1.00 0.00 N ATOM 1056 CA ALA A 67 5.814 -2.525 9.609 1.00 0.00 C ATOM 1057 C ALA A 67 5.274 -1.564 8.540 1.00 0.00 C ATOM 1058 O ALA A 67 6.017 -0.724 8.032 1.00 0.00 O ATOM 1059 CB ALA A 67 5.871 -3.961 9.082 1.00 0.00 C ATOM 0 H ALA A 67 4.567 -3.362 11.064 1.00 0.00 H new ATOM 0 HA ALA A 67 6.827 -2.203 9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.475 -3.992 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.316 -4.608 9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.862 -4.306 8.857 1.00 0.00 H new ATOM 1065 N ASP A 68 3.984 -1.650 8.211 1.00 0.00 N ATOM 1066 CA ASP A 68 3.363 -0.752 7.239 1.00 0.00 C ATOM 1067 C ASP A 68 3.387 0.711 7.718 1.00 0.00 C ATOM 1068 O ASP A 68 3.631 1.592 6.901 1.00 0.00 O ATOM 1069 CB ASP A 68 1.941 -1.216 6.891 1.00 0.00 C ATOM 1070 CG ASP A 68 1.868 -2.402 5.911 1.00 0.00 C ATOM 1071 OD1 ASP A 68 2.862 -3.138 5.704 1.00 0.00 O ATOM 1072 OD2 ASP A 68 0.787 -2.567 5.293 1.00 0.00 O ATOM 0 H ASP A 68 3.345 -2.339 8.608 1.00 0.00 H new ATOM 0 HA ASP A 68 3.955 -0.793 6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.429 -1.493 7.813 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.395 -0.376 6.463 1.00 0.00 H new ATOM 1077 N LEU A 69 3.224 0.993 9.018 1.00 0.00 N ATOM 1078 CA LEU A 69 3.386 2.331 9.607 1.00 0.00 C ATOM 1079 C LEU A 69 4.788 2.900 9.360 1.00 0.00 C ATOM 1080 O LEU A 69 4.901 3.959 8.735 1.00 0.00 O ATOM 1081 CB LEU A 69 3.072 2.305 11.110 1.00 0.00 C ATOM 1082 CG LEU A 69 1.578 2.240 11.458 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.408 1.734 12.889 1.00 0.00 C ATOM 1084 CD2 LEU A 69 0.933 3.625 11.354 1.00 0.00 C ATOM 0 H LEU A 69 2.970 0.283 9.705 1.00 0.00 H new ATOM 0 HA LEU A 69 2.674 2.991 9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.572 1.445 11.556 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.499 3.196 11.571 1.00 0.00 H new ATOM 0 HG LEU A 69 1.094 1.564 10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.347 1.688 13.135 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.844 0.739 12.977 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.911 2.413 13.577 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.125 3.553 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.425 4.308 12.046 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.040 4.001 10.336 1.00 0.00 H new ATOM 1096 N VAL A 70 5.853 2.215 9.809 1.00 0.00 N ATOM 1097 CA VAL A 70 7.233 2.685 9.568 1.00 0.00 C ATOM 1098 C VAL A 70 7.589 2.754 8.081 1.00 0.00 C ATOM 1099 O VAL A 70 8.466 3.534 7.718 1.00 0.00 O ATOM 1100 CB VAL A 70 8.335 1.913 10.324 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.121 1.933 11.837 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.521 0.462 9.873 1.00 0.00 C ATOM 0 H VAL A 70 5.790 1.343 10.335 1.00 0.00 H new ATOM 0 HA VAL A 70 7.216 3.693 9.983 1.00 0.00 H new ATOM 0 HB VAL A 70 9.246 2.454 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.921 1.377 12.325 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.127 2.964 12.192 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.162 1.473 12.075 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.315 -0.002 10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.592 -0.087 10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.789 0.441 8.817 1.00 0.00 H new ATOM 1112 N ASN A 71 6.915 1.989 7.213 1.00 0.00 N ATOM 1113 CA ASN A 71 7.135 1.995 5.763 1.00 0.00 C ATOM 1114 C ASN A 71 6.308 3.067 5.012 1.00 0.00 C ATOM 1115 O ASN A 71 6.749 3.566 3.977 1.00 0.00 O ATOM 1116 CB ASN A 71 6.877 0.578 5.224 1.00 0.00 C ATOM 1117 CG ASN A 71 7.479 0.369 3.843 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.636 0.674 3.587 1.00 0.00 O ATOM 1119 ND2 ASN A 71 6.731 -0.177 2.911 1.00 0.00 N ATOM 0 H ASN A 71 6.188 1.336 7.506 1.00 0.00 H new ATOM 0 HA ASN A 71 8.171 2.278 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.296 -0.153 5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.803 0.398 5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.116 -0.344 1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.766 -0.434 3.117 1.00 0.00 H new ATOM 1126 N ALA A 72 5.142 3.466 5.529 1.00 0.00 N ATOM 1127 CA ALA A 72 4.300 4.540 4.991 1.00 0.00 C ATOM 1128 C ALA A 72 4.868 5.934 5.317 1.00 0.00 C ATOM 1129 O ALA A 72 4.922 6.802 4.444 1.00 0.00 O ATOM 1130 CB ALA A 72 2.873 4.381 5.535 1.00 0.00 C ATOM 0 H ALA A 72 4.744 3.035 6.363 1.00 0.00 H new ATOM 0 HA ALA A 72 4.284 4.459 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.242 5.176 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.473 3.414 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.890 4.439 6.623 1.00 0.00 H new ATOM 1136 N GLN A 73 5.358 6.144 6.548 1.00 0.00 N ATOM 1137 CA GLN A 73 6.008 7.402 6.958 1.00 0.00 C ATOM 1138 C GLN A 73 7.314 7.723 6.191 1.00 0.00 C ATOM 1139 O GLN A 73 7.848 8.824 6.333 1.00 0.00 O ATOM 1140 CB GLN A 73 6.248 7.413 8.480 1.00 0.00 C ATOM 1141 CG GLN A 73 7.345 6.429 8.909 1.00 0.00 C ATOM 1142 CD GLN A 73 7.687 6.514 10.394 1.00 0.00 C ATOM 1143 OE1 GLN A 73 6.847 6.378 11.274 1.00 0.00 O ATOM 1144 NE2 GLN A 73 8.942 6.726 10.738 1.00 0.00 N ATOM 0 H GLN A 73 5.315 5.446 7.290 1.00 0.00 H new ATOM 0 HA GLN A 73 5.313 8.198 6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.524 8.420 8.794 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.319 7.163 8.993 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.024 5.414 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.245 6.622 8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.656 6.842 10.018 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.199 6.774 11.724 1.00 0.00 H new