USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 589 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 33 MET CE :methyl -127:sc= -1.64 (180deg=-4.9!) USER MOD Set 1.2: A 36 THR OG1 : rot 177:sc= 0.412 USER MOD Single : A 27 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.3) USER MOD Single : A 30 THR OG1 : rot -55:sc= 0.536 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0681 USER MOD Single : A 39 ASN : amide:sc= -0.767 K(o=-0.77,f=-7.5!) USER MOD Single : A 41 GLN : amide:sc= -0.088 K(o=-0.088,f=-2.1!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -2.02 K(o=-2,f=-4) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.939 K(o=-0.94,f=-5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -140:sc= -0.522 USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= -0.0281 (180deg=-0.213) USER MOD Single : A 89 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.3) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -12.562 3.953 -18.613 1.00 40.25 N ATOM 360 CA PHE A 22 -12.995 4.150 -19.992 1.00 63.42 C ATOM 361 C PHE A 22 -11.815 4.039 -20.953 1.00 61.15 C ATOM 362 O PHE A 22 -11.942 3.492 -22.050 1.00 42.30 O ATOM 363 CB PHE A 22 -13.668 5.515 -20.148 1.00 61.32 C ATOM 364 CG PHE A 22 -13.981 5.869 -21.574 1.00 34.03 C ATOM 365 CD1 PHE A 22 -15.091 5.333 -22.207 1.00 32.12 C ATOM 366 CD2 PHE A 22 -13.166 6.738 -22.281 1.00 20.21 C ATOM 367 CE1 PHE A 22 -15.383 5.657 -23.518 1.00 41.14 C ATOM 368 CE2 PHE A 22 -13.453 7.066 -23.592 1.00 62.05 C ATOM 369 CZ PHE A 22 -14.562 6.524 -24.212 1.00 42.14 C ATOM 0 HA PHE A 22 -13.715 3.368 -20.236 1.00 63.42 H new ATOM 0 HB2 PHE A 22 -14.591 5.524 -19.569 1.00 61.32 H new ATOM 0 HB3 PHE A 22 -13.019 6.282 -19.726 1.00 61.32 H new ATOM 0 HD1 PHE A 22 -15.736 4.654 -21.669 1.00 32.12 H new ATOM 0 HD2 PHE A 22 -12.297 7.164 -21.802 1.00 20.21 H new ATOM 0 HE1 PHE A 22 -16.252 5.233 -23.999 1.00 41.14 H new ATOM 0 HE2 PHE A 22 -12.811 7.746 -24.132 1.00 62.05 H new ATOM 0 HZ PHE A 22 -14.787 6.778 -25.237 1.00 42.14 H new ATOM 379 N LEU A 23 -10.668 4.562 -20.535 1.00 63.20 N ATOM 380 CA LEU A 23 -9.464 4.523 -21.358 1.00 62.01 C ATOM 381 C LEU A 23 -8.818 3.142 -21.314 1.00 74.31 C ATOM 382 O LEU A 23 -8.257 2.677 -22.305 1.00 44.34 O ATOM 383 CB LEU A 23 -8.465 5.581 -20.885 1.00 62.44 C ATOM 384 CG LEU A 23 -8.907 7.037 -21.036 1.00 61.55 C ATOM 385 CD1 LEU A 23 -9.498 7.274 -22.417 1.00 41.44 C ATOM 386 CD2 LEU A 23 -9.911 7.404 -19.954 1.00 32.01 C ATOM 0 H LEU A 23 -10.546 5.018 -19.631 1.00 63.20 H new ATOM 0 HA LEU A 23 -9.751 4.737 -22.388 1.00 62.01 H new ATOM 0 HB2 LEU A 23 -8.242 5.397 -19.834 1.00 62.44 H new ATOM 0 HB3 LEU A 23 -7.535 5.446 -21.437 1.00 62.44 H new ATOM 0 HG LEU A 23 -8.032 7.677 -20.923 1.00 61.55 H new ATOM 0 HD11 LEU A 23 -9.807 8.315 -22.507 1.00 41.44 H new ATOM 0 HD12 LEU A 23 -8.749 7.051 -23.177 1.00 41.44 H new ATOM 0 HD13 LEU A 23 -10.362 6.625 -22.559 1.00 41.44 H new ATOM 0 HD21 LEU A 23 -10.215 8.444 -20.077 1.00 32.01 H new ATOM 0 HD22 LEU A 23 -10.786 6.759 -20.035 1.00 32.01 H new ATOM 0 HD23 LEU A 23 -9.453 7.273 -18.973 1.00 32.01 H new ATOM 398 N GLU A 24 -8.905 2.490 -20.159 1.00 12.04 N ATOM 399 CA GLU A 24 -8.330 1.161 -19.987 1.00 34.11 C ATOM 400 C GLU A 24 -8.939 0.173 -20.977 1.00 74.34 C ATOM 401 O GLU A 24 -8.354 -0.868 -21.272 1.00 65.22 O ATOM 402 CB GLU A 24 -8.551 0.667 -18.556 1.00 22.33 C ATOM 403 CG GLU A 24 -7.506 1.166 -17.572 1.00 32.23 C ATOM 404 CD GLU A 24 -7.837 0.805 -16.136 1.00 52.15 C ATOM 405 OE1 GLU A 24 -8.683 -0.090 -15.929 1.00 3.00 O ATOM 406 OE2 GLU A 24 -7.250 1.418 -15.221 1.00 2.53 O ATOM 0 H GLU A 24 -9.368 2.860 -19.329 1.00 12.04 H new ATOM 0 HA GLU A 24 -7.259 1.229 -20.179 1.00 34.11 H new ATOM 0 HB2 GLU A 24 -9.537 0.986 -18.219 1.00 22.33 H new ATOM 0 HB3 GLU A 24 -8.550 -0.423 -18.553 1.00 22.33 H new ATOM 0 HG2 GLU A 24 -6.535 0.745 -17.834 1.00 32.23 H new ATOM 0 HG3 GLU A 24 -7.418 2.249 -17.659 1.00 32.23 H new ATOM 413 N GLY A 25 -10.121 0.507 -21.488 1.00 2.13 N ATOM 414 CA GLY A 25 -10.791 -0.361 -22.439 1.00 4.43 C ATOM 415 C GLY A 25 -10.042 -0.469 -23.752 1.00 64.00 C ATOM 416 O GLY A 25 -10.302 -1.368 -24.552 1.00 35.35 O ATOM 0 H GLY A 25 -10.626 1.363 -21.260 1.00 2.13 H new ATOM 0 HA2 GLY A 25 -10.901 -1.354 -22.004 1.00 4.43 H new ATOM 0 HA3 GLY A 25 -11.795 0.018 -22.627 1.00 4.43 H new ATOM 420 N PHE A 26 -9.109 0.450 -23.977 1.00 3.30 N ATOM 421 CA PHE A 26 -8.321 0.456 -25.204 1.00 71.13 C ATOM 422 C PHE A 26 -6.870 0.078 -24.921 1.00 72.41 C ATOM 423 O PHE A 26 -6.442 0.035 -23.768 1.00 55.25 O ATOM 424 CB PHE A 26 -8.381 1.834 -25.867 1.00 63.43 C ATOM 425 CG PHE A 26 -9.777 2.366 -26.018 1.00 41.34 C ATOM 426 CD1 PHE A 26 -10.401 3.018 -24.967 1.00 75.30 C ATOM 427 CD2 PHE A 26 -10.464 2.216 -27.212 1.00 15.12 C ATOM 428 CE1 PHE A 26 -11.686 3.508 -25.103 1.00 54.13 C ATOM 429 CE2 PHE A 26 -11.750 2.705 -27.354 1.00 64.22 C ATOM 430 CZ PHE A 26 -12.361 3.353 -26.299 1.00 22.53 C ATOM 0 H PHE A 26 -8.880 1.201 -23.325 1.00 3.30 H new ATOM 0 HA PHE A 26 -8.745 -0.285 -25.882 1.00 71.13 H new ATOM 0 HB2 PHE A 26 -7.794 2.538 -25.277 1.00 63.43 H new ATOM 0 HB3 PHE A 26 -7.915 1.776 -26.850 1.00 63.43 H new ATOM 0 HD1 PHE A 26 -9.877 3.145 -24.031 1.00 75.30 H new ATOM 0 HD2 PHE A 26 -9.990 1.712 -28.041 1.00 15.12 H new ATOM 0 HE1 PHE A 26 -12.163 4.012 -24.275 1.00 54.13 H new ATOM 0 HE2 PHE A 26 -12.276 2.580 -28.289 1.00 64.22 H new ATOM 0 HZ PHE A 26 -13.364 3.738 -26.408 1.00 22.53 H new ATOM 440 N ASN A 27 -6.119 -0.197 -25.982 1.00 63.23 N ATOM 441 CA ASN A 27 -4.716 -0.573 -25.849 1.00 30.42 C ATOM 442 C ASN A 27 -3.907 0.558 -25.222 1.00 63.02 C ATOM 443 O ASN A 27 -4.306 1.722 -25.272 1.00 70.31 O ATOM 444 CB ASN A 27 -4.132 -0.937 -27.215 1.00 63.33 C ATOM 445 CG ASN A 27 -4.094 -2.435 -27.448 1.00 33.44 C ATOM 446 OD1 ASN A 27 -4.788 -3.197 -26.774 1.00 13.13 O ATOM 447 ND2 ASN A 27 -3.281 -2.865 -28.405 1.00 60.34 N ATOM 0 H ASN A 27 -6.458 -0.167 -26.943 1.00 63.23 H new ATOM 0 HA ASN A 27 -4.659 -1.443 -25.194 1.00 30.42 H new ATOM 0 HB2 ASN A 27 -4.726 -0.465 -27.998 1.00 63.33 H new ATOM 0 HB3 ASN A 27 -3.122 -0.534 -27.294 1.00 63.33 H new ATOM 0 HD21 ASN A 27 -3.213 -3.863 -28.607 1.00 60.34 H new ATOM 0 HD22 ASN A 27 -2.724 -2.198 -28.939 1.00 60.34 H new ATOM 454 N ILE A 28 -2.768 0.208 -24.634 1.00 31.24 N ATOM 455 CA ILE A 28 -1.902 1.194 -23.999 1.00 70.31 C ATOM 456 C ILE A 28 -0.970 1.843 -25.017 1.00 14.13 C ATOM 457 O ILE A 28 -0.519 2.972 -24.827 1.00 24.21 O ATOM 458 CB ILE A 28 -1.058 0.562 -22.877 1.00 24.13 C ATOM 459 CG1 ILE A 28 -0.253 1.639 -22.146 1.00 14.02 C ATOM 460 CG2 ILE A 28 -0.132 -0.503 -23.446 1.00 31.02 C ATOM 461 CD1 ILE A 28 -1.116 2.679 -21.464 1.00 65.53 C ATOM 0 H ILE A 28 -2.423 -0.751 -24.584 1.00 31.24 H new ATOM 0 HA ILE A 28 -2.553 1.955 -23.568 1.00 70.31 H new ATOM 0 HB ILE A 28 -1.729 0.088 -22.161 1.00 24.13 H new ATOM 0 HG12 ILE A 28 0.384 1.162 -21.401 1.00 14.02 H new ATOM 0 HG13 ILE A 28 0.406 2.135 -22.859 1.00 14.02 H new ATOM 0 HG21 ILE A 28 0.458 -0.940 -22.640 1.00 31.02 H new ATOM 0 HG22 ILE A 28 -0.725 -1.282 -23.926 1.00 31.02 H new ATOM 0 HG23 ILE A 28 0.535 -0.051 -24.180 1.00 31.02 H new ATOM 0 HD11 ILE A 28 -0.479 3.410 -20.966 1.00 65.53 H new ATOM 0 HD12 ILE A 28 -1.735 3.182 -22.207 1.00 65.53 H new ATOM 0 HD13 ILE A 28 -1.756 2.194 -20.727 1.00 65.53 H new ATOM 473 N GLU A 29 -0.689 1.122 -26.098 1.00 0.32 N ATOM 474 CA GLU A 29 0.188 1.630 -27.146 1.00 63.42 C ATOM 475 C GLU A 29 -0.554 2.611 -28.049 1.00 4.44 C ATOM 476 O GLU A 29 0.052 3.498 -28.652 1.00 12.44 O ATOM 477 CB GLU A 29 0.745 0.474 -27.980 1.00 75.32 C ATOM 478 CG GLU A 29 -0.310 -0.244 -28.806 1.00 51.40 C ATOM 479 CD GLU A 29 0.292 -1.194 -29.823 1.00 51.41 C ATOM 480 OE1 GLU A 29 0.891 -2.207 -29.406 1.00 32.14 O ATOM 481 OE2 GLU A 29 0.165 -0.924 -31.036 1.00 32.04 O ATOM 0 H GLU A 29 -1.055 0.186 -26.271 1.00 0.32 H new ATOM 0 HA GLU A 29 1.015 2.156 -26.669 1.00 63.42 H new ATOM 0 HB2 GLU A 29 1.518 0.857 -28.647 1.00 75.32 H new ATOM 0 HB3 GLU A 29 1.225 -0.244 -27.315 1.00 75.32 H new ATOM 0 HG2 GLU A 29 -0.970 -0.801 -28.141 1.00 51.40 H new ATOM 0 HG3 GLU A 29 -0.925 0.493 -29.322 1.00 51.40 H new ATOM 488 N THR A 30 -1.870 2.446 -28.137 1.00 42.13 N ATOM 489 CA THR A 30 -2.695 3.315 -28.967 1.00 10.24 C ATOM 490 C THR A 30 -2.604 4.765 -28.504 1.00 62.14 C ATOM 491 O THR A 30 -2.873 5.690 -29.272 1.00 25.34 O ATOM 492 CB THR A 30 -4.171 2.874 -28.948 1.00 3.14 C ATOM 493 OG1 THR A 30 -4.650 2.825 -27.599 1.00 70.12 O ATOM 494 CG2 THR A 30 -4.336 1.510 -29.600 1.00 72.21 C ATOM 0 H THR A 30 -2.387 1.718 -27.644 1.00 42.13 H new ATOM 0 HA THR A 30 -2.313 3.236 -29.985 1.00 10.24 H new ATOM 0 HB THR A 30 -4.753 3.602 -29.513 1.00 3.14 H new ATOM 0 HG1 THR A 30 -4.068 2.243 -27.066 1.00 70.12 H new ATOM 0 HG21 THR A 30 -5.386 1.219 -29.575 1.00 72.21 H new ATOM 0 HG22 THR A 30 -3.997 1.558 -30.635 1.00 72.21 H new ATOM 0 HG23 THR A 30 -3.743 0.774 -29.058 1.00 72.21 H new ATOM 502 N PHE A 31 -2.222 4.957 -27.246 1.00 35.00 N ATOM 503 CA PHE A 31 -2.096 6.296 -26.681 1.00 60.53 C ATOM 504 C PHE A 31 -0.757 6.921 -27.060 1.00 3.22 C ATOM 505 O PHE A 31 0.247 6.224 -27.202 1.00 60.13 O ATOM 506 CB PHE A 31 -2.236 6.245 -25.158 1.00 62.15 C ATOM 507 CG PHE A 31 -3.401 5.421 -24.691 1.00 31.25 C ATOM 508 CD1 PHE A 31 -4.595 5.423 -25.394 1.00 21.03 C ATOM 509 CD2 PHE A 31 -3.303 4.644 -23.547 1.00 43.41 C ATOM 510 CE1 PHE A 31 -5.669 4.665 -24.966 1.00 51.50 C ATOM 511 CE2 PHE A 31 -4.373 3.885 -23.115 1.00 32.41 C ATOM 512 CZ PHE A 31 -5.558 3.896 -23.824 1.00 53.15 C ATOM 0 H PHE A 31 -1.994 4.203 -26.598 1.00 35.00 H new ATOM 0 HA PHE A 31 -2.895 6.914 -27.091 1.00 60.53 H new ATOM 0 HB2 PHE A 31 -1.319 5.839 -24.730 1.00 62.15 H new ATOM 0 HB3 PHE A 31 -2.343 7.260 -24.777 1.00 62.15 H new ATOM 0 HD1 PHE A 31 -4.688 6.024 -26.287 1.00 21.03 H new ATOM 0 HD2 PHE A 31 -2.379 4.632 -22.987 1.00 43.41 H new ATOM 0 HE1 PHE A 31 -6.594 4.674 -25.524 1.00 51.50 H new ATOM 0 HE2 PHE A 31 -4.283 3.283 -22.223 1.00 32.41 H new ATOM 0 HZ PHE A 31 -6.396 3.305 -23.486 1.00 53.15 H new ATOM 522 N GLU A 32 -0.751 8.241 -27.221 1.00 73.35 N ATOM 523 CA GLU A 32 0.464 8.960 -27.585 1.00 11.11 C ATOM 524 C GLU A 32 0.698 10.141 -26.648 1.00 12.44 C ATOM 525 O GLU A 32 -0.149 11.026 -26.524 1.00 44.22 O ATOM 526 CB GLU A 32 0.379 9.452 -29.031 1.00 72.34 C ATOM 527 CG GLU A 32 0.293 8.329 -30.052 1.00 2.12 C ATOM 528 CD GLU A 32 -0.191 8.808 -31.407 1.00 34.25 C ATOM 529 OE1 GLU A 32 -0.132 10.029 -31.659 1.00 43.45 O ATOM 530 OE2 GLU A 32 -0.630 7.962 -32.213 1.00 72.22 O ATOM 0 H GLU A 32 -1.573 8.833 -27.105 1.00 73.35 H new ATOM 0 HA GLU A 32 1.304 8.272 -27.492 1.00 11.11 H new ATOM 0 HB2 GLU A 32 -0.495 10.095 -29.136 1.00 72.34 H new ATOM 0 HB3 GLU A 32 1.254 10.064 -29.250 1.00 72.34 H new ATOM 0 HG2 GLU A 32 1.275 7.868 -30.163 1.00 2.12 H new ATOM 0 HG3 GLU A 32 -0.382 7.557 -29.682 1.00 2.12 H new ATOM 537 N MET A 33 1.852 10.147 -25.989 1.00 41.11 N ATOM 538 CA MET A 33 2.198 11.219 -25.063 1.00 40.43 C ATOM 539 C MET A 33 2.035 12.584 -25.726 1.00 64.43 C ATOM 540 O MET A 33 2.447 12.782 -26.869 1.00 50.34 O ATOM 541 CB MET A 33 3.635 11.049 -24.566 1.00 12.11 C ATOM 542 CG MET A 33 3.935 11.830 -23.297 1.00 43.51 C ATOM 543 SD MET A 33 4.413 13.537 -23.629 1.00 42.11 S ATOM 544 CE MET A 33 5.337 13.925 -22.145 1.00 23.24 C ATOM 0 H MET A 33 2.563 9.422 -26.079 1.00 41.11 H new ATOM 0 HA MET A 33 1.518 11.164 -24.213 1.00 40.43 H new ATOM 0 HB2 MET A 33 3.826 9.991 -24.385 1.00 12.11 H new ATOM 0 HB3 MET A 33 4.322 11.367 -25.350 1.00 12.11 H new ATOM 0 HG2 MET A 33 3.055 11.822 -22.653 1.00 43.51 H new ATOM 0 HG3 MET A 33 4.735 11.332 -22.749 1.00 43.51 H new ATOM 0 HE1 MET A 33 4.941 14.837 -21.698 1.00 23.24 H new ATOM 0 HE2 MET A 33 5.246 13.103 -21.434 1.00 23.24 H new ATOM 0 HE3 MET A 33 6.387 14.071 -22.398 1.00 23.24 H new ATOM 554 N VAL A 34 1.432 13.521 -25.002 1.00 24.24 N ATOM 555 CA VAL A 34 1.216 14.866 -25.519 1.00 42.45 C ATOM 556 C VAL A 34 1.851 15.913 -24.611 1.00 15.52 C ATOM 557 O VAL A 34 2.343 16.939 -25.078 1.00 3.42 O ATOM 558 CB VAL A 34 -0.285 15.175 -25.670 1.00 52.33 C ATOM 559 CG1 VAL A 34 -0.925 14.236 -26.682 1.00 3.33 C ATOM 560 CG2 VAL A 34 -0.986 15.079 -24.324 1.00 13.33 C ATOM 0 H VAL A 34 1.084 13.373 -24.055 1.00 24.24 H new ATOM 0 HA VAL A 34 1.688 14.907 -26.501 1.00 42.45 H new ATOM 0 HB VAL A 34 -0.393 16.195 -26.038 1.00 52.33 H new ATOM 0 HG11 VAL A 34 -1.986 14.470 -26.775 1.00 3.33 H new ATOM 0 HG12 VAL A 34 -0.440 14.359 -27.650 1.00 3.33 H new ATOM 0 HG13 VAL A 34 -0.809 13.205 -26.346 1.00 3.33 H new ATOM 0 HG21 VAL A 34 -2.046 15.300 -24.449 1.00 13.33 H new ATOM 0 HG22 VAL A 34 -0.870 14.071 -23.925 1.00 13.33 H new ATOM 0 HG23 VAL A 34 -0.545 15.796 -23.632 1.00 13.33 H new ATOM 570 N GLY A 35 1.835 15.647 -23.308 1.00 71.53 N ATOM 571 CA GLY A 35 2.412 16.575 -22.354 1.00 31.02 C ATOM 572 C GLY A 35 2.602 15.955 -20.984 1.00 22.41 C ATOM 573 O GLY A 35 2.256 14.793 -20.766 1.00 22.02 O ATOM 0 H GLY A 35 1.432 14.805 -22.897 1.00 71.53 H new ATOM 0 HA2 GLY A 35 3.374 16.924 -22.728 1.00 31.02 H new ATOM 0 HA3 GLY A 35 1.767 17.450 -22.267 1.00 31.02 H new ATOM 577 N THR A 36 3.156 16.730 -20.056 1.00 71.25 N ATOM 578 CA THR A 36 3.395 16.249 -18.702 1.00 14.25 C ATOM 579 C THR A 36 3.391 17.400 -17.701 1.00 75.53 C ATOM 580 O THR A 36 4.064 18.411 -17.901 1.00 1.45 O ATOM 581 CB THR A 36 4.737 15.500 -18.599 1.00 75.14 C ATOM 582 OG1 THR A 36 5.654 16.002 -19.578 1.00 13.24 O ATOM 583 CG2 THR A 36 4.539 14.005 -18.803 1.00 13.33 C ATOM 0 H THR A 36 3.447 17.694 -20.219 1.00 71.25 H new ATOM 0 HA THR A 36 2.584 15.560 -18.464 1.00 14.25 H new ATOM 0 HB THR A 36 5.144 15.664 -17.601 1.00 75.14 H new ATOM 0 HG1 THR A 36 6.519 15.552 -19.478 1.00 13.24 H new ATOM 0 HG21 THR A 36 5.500 13.497 -18.726 1.00 13.33 H new ATOM 0 HG22 THR A 36 3.863 13.620 -18.040 1.00 13.33 H new ATOM 0 HG23 THR A 36 4.112 13.826 -19.790 1.00 13.33 H new ATOM 591 N LEU A 37 2.629 17.239 -16.625 1.00 73.30 N ATOM 592 CA LEU A 37 2.538 18.265 -15.592 1.00 33.42 C ATOM 593 C LEU A 37 3.383 17.891 -14.378 1.00 53.40 C ATOM 594 O LEU A 37 3.543 16.713 -14.059 1.00 52.41 O ATOM 595 CB LEU A 37 1.081 18.465 -15.171 1.00 73.22 C ATOM 596 CG LEU A 37 0.632 19.913 -14.974 1.00 0.21 C ATOM 597 CD1 LEU A 37 1.351 20.538 -13.788 1.00 34.20 C ATOM 598 CD2 LEU A 37 0.879 20.725 -16.237 1.00 71.22 C ATOM 0 H LEU A 37 2.065 16.408 -16.445 1.00 73.30 H new ATOM 0 HA LEU A 37 2.921 19.198 -16.006 1.00 33.42 H new ATOM 0 HB2 LEU A 37 0.440 18.006 -15.924 1.00 73.22 H new ATOM 0 HB3 LEU A 37 0.916 17.924 -14.239 1.00 73.22 H new ATOM 0 HG LEU A 37 -0.438 19.916 -14.767 1.00 0.21 H new ATOM 0 HD11 LEU A 37 1.019 21.569 -13.663 1.00 34.20 H new ATOM 0 HD12 LEU A 37 1.124 19.971 -12.885 1.00 34.20 H new ATOM 0 HD13 LEU A 37 2.426 20.522 -13.965 1.00 34.20 H new ATOM 0 HD21 LEU A 37 0.553 21.753 -16.078 1.00 71.22 H new ATOM 0 HD22 LEU A 37 1.943 20.714 -16.474 1.00 71.22 H new ATOM 0 HD23 LEU A 37 0.318 20.290 -17.064 1.00 71.22 H new ATOM 610 N SER A 38 3.920 18.903 -13.704 1.00 14.24 N ATOM 611 CA SER A 38 4.750 18.681 -12.525 1.00 54.53 C ATOM 612 C SER A 38 4.826 19.942 -11.670 1.00 3.42 C ATOM 613 O SER A 38 5.434 20.937 -12.064 1.00 31.22 O ATOM 614 CB SER A 38 6.156 18.247 -12.941 1.00 5.02 C ATOM 615 OG SER A 38 6.868 17.705 -11.842 1.00 21.41 O ATOM 0 H SER A 38 3.795 19.884 -13.954 1.00 14.24 H new ATOM 0 HA SER A 38 4.293 17.888 -11.932 1.00 54.53 H new ATOM 0 HB2 SER A 38 6.091 17.506 -13.737 1.00 5.02 H new ATOM 0 HB3 SER A 38 6.699 19.101 -13.345 1.00 5.02 H new ATOM 0 HG SER A 38 7.763 17.433 -12.134 1.00 21.41 H new ATOM 621 N ASN A 39 4.205 19.892 -10.496 1.00 11.11 N ATOM 622 CA ASN A 39 4.202 21.030 -9.584 1.00 35.14 C ATOM 623 C ASN A 39 4.201 20.563 -8.131 1.00 61.43 C ATOM 624 O ASN A 39 4.272 19.366 -7.854 1.00 35.23 O ATOM 625 CB ASN A 39 2.983 21.917 -9.846 1.00 72.01 C ATOM 626 CG ASN A 39 1.677 21.155 -9.730 1.00 60.41 C ATOM 627 OD1 ASN A 39 1.667 19.961 -9.427 1.00 52.40 O ATOM 628 ND2 ASN A 39 0.567 21.842 -9.972 1.00 1.30 N ATOM 0 H ASN A 39 3.698 19.076 -10.154 1.00 11.11 H new ATOM 0 HA ASN A 39 5.109 21.608 -9.761 1.00 35.14 H new ATOM 0 HB2 ASN A 39 2.981 22.745 -9.138 1.00 72.01 H new ATOM 0 HB3 ASN A 39 3.060 22.350 -10.843 1.00 72.01 H new ATOM 0 HD21 ASN A 39 -0.341 21.382 -9.910 1.00 1.30 H new ATOM 0 HD22 ASN A 39 0.622 22.830 -10.220 1.00 1.30 H new ATOM 635 N ALA A 40 4.120 21.516 -7.209 1.00 25.13 N ATOM 636 CA ALA A 40 4.108 21.202 -5.785 1.00 40.33 C ATOM 637 C ALA A 40 3.016 20.190 -5.456 1.00 1.23 C ATOM 638 O ALA A 40 3.148 19.405 -4.517 1.00 45.23 O ATOM 639 CB ALA A 40 3.919 22.471 -4.967 1.00 51.00 C ATOM 0 H ALA A 40 4.062 22.512 -7.422 1.00 25.13 H new ATOM 0 HA ALA A 40 5.069 20.757 -5.527 1.00 40.33 H new ATOM 0 HB1 ALA A 40 3.912 22.222 -3.906 1.00 51.00 H new ATOM 0 HB2 ALA A 40 4.737 23.161 -5.172 1.00 51.00 H new ATOM 0 HB3 ALA A 40 2.972 22.940 -5.236 1.00 51.00 H new ATOM 645 N GLN A 41 1.938 20.215 -6.233 1.00 2.41 N ATOM 646 CA GLN A 41 0.823 19.300 -6.021 1.00 50.24 C ATOM 647 C GLN A 41 1.234 17.863 -6.322 1.00 71.42 C ATOM 648 O GLN A 41 0.740 16.922 -5.702 1.00 13.35 O ATOM 649 CB GLN A 41 -0.365 19.698 -6.900 1.00 5.13 C ATOM 650 CG GLN A 41 -0.772 21.155 -6.748 1.00 60.23 C ATOM 651 CD GLN A 41 -2.222 21.397 -7.119 1.00 21.20 C ATOM 652 OE1 GLN A 41 -3.024 20.464 -7.175 1.00 52.43 O ATOM 653 NE2 GLN A 41 -2.566 22.654 -7.374 1.00 72.41 N ATOM 0 H GLN A 41 1.813 20.859 -7.014 1.00 2.41 H new ATOM 0 HA GLN A 41 0.528 19.363 -4.974 1.00 50.24 H new ATOM 0 HB2 GLN A 41 -0.115 19.506 -7.943 1.00 5.13 H new ATOM 0 HB3 GLN A 41 -1.217 19.064 -6.654 1.00 5.13 H new ATOM 0 HG2 GLN A 41 -0.607 21.469 -5.717 1.00 60.23 H new ATOM 0 HG3 GLN A 41 -0.132 21.775 -7.376 1.00 60.23 H new ATOM 0 HE21 GLN A 41 -1.868 23.396 -7.315 1.00 72.41 H new ATOM 0 HE22 GLN A 41 -3.528 22.878 -7.628 1.00 72.41 H new ATOM 662 N GLY A 42 2.142 17.700 -7.280 1.00 31.32 N ATOM 663 CA GLY A 42 2.603 16.374 -7.647 1.00 24.44 C ATOM 664 C GLY A 42 2.983 16.276 -9.111 1.00 3.32 C ATOM 665 O GLY A 42 3.103 17.291 -9.798 1.00 41.04 O ATOM 0 H GLY A 42 2.566 18.463 -7.808 1.00 31.32 H new ATOM 0 HA2 GLY A 42 3.464 16.109 -7.033 1.00 24.44 H new ATOM 0 HA3 GLY A 42 1.820 15.647 -7.429 1.00 24.44 H new ATOM 669 N THR A 43 3.176 15.051 -9.591 1.00 14.53 N ATOM 670 CA THR A 43 3.547 14.825 -10.982 1.00 1.23 C ATOM 671 C THR A 43 2.413 14.160 -11.752 1.00 72.35 C ATOM 672 O THR A 43 1.919 13.102 -11.360 1.00 51.32 O ATOM 673 CB THR A 43 4.810 13.950 -11.091 1.00 34.54 C ATOM 674 OG1 THR A 43 5.578 14.046 -9.886 1.00 44.34 O ATOM 675 CG2 THR A 43 5.661 14.373 -12.278 1.00 5.44 C ATOM 0 H THR A 43 3.081 14.200 -9.036 1.00 14.53 H new ATOM 0 HA THR A 43 3.753 15.803 -11.418 1.00 1.23 H new ATOM 0 HB THR A 43 4.498 12.916 -11.240 1.00 34.54 H new ATOM 0 HG1 THR A 43 6.378 13.486 -9.963 1.00 44.34 H new ATOM 0 HG21 THR A 43 6.547 13.741 -12.334 1.00 5.44 H new ATOM 0 HG22 THR A 43 5.082 14.269 -13.196 1.00 5.44 H new ATOM 0 HG23 THR A 43 5.964 15.413 -12.156 1.00 5.44 H new ATOM 683 N PHE A 44 2.004 14.785 -12.852 1.00 21.33 N ATOM 684 CA PHE A 44 0.927 14.253 -13.678 1.00 72.50 C ATOM 685 C PHE A 44 1.403 14.019 -15.109 1.00 3.33 C ATOM 686 O PHE A 44 2.336 14.671 -15.578 1.00 12.23 O ATOM 687 CB PHE A 44 -0.267 15.210 -13.676 1.00 21.33 C ATOM 688 CG PHE A 44 -0.629 15.713 -12.308 1.00 32.24 C ATOM 689 CD1 PHE A 44 0.010 16.818 -11.770 1.00 13.41 C ATOM 690 CD2 PHE A 44 -1.608 15.080 -11.559 1.00 73.41 C ATOM 691 CE1 PHE A 44 -0.322 17.284 -10.511 1.00 45.23 C ATOM 692 CE2 PHE A 44 -1.944 15.541 -10.300 1.00 50.13 C ATOM 693 CZ PHE A 44 -1.299 16.644 -9.775 1.00 70.13 C ATOM 0 H PHE A 44 2.403 15.660 -13.191 1.00 21.33 H new ATOM 0 HA PHE A 44 0.618 13.297 -13.256 1.00 72.50 H new ATOM 0 HB2 PHE A 44 -0.042 16.061 -14.319 1.00 21.33 H new ATOM 0 HB3 PHE A 44 -1.130 14.703 -14.108 1.00 21.33 H new ATOM 0 HD1 PHE A 44 0.776 17.322 -12.340 1.00 13.41 H new ATOM 0 HD2 PHE A 44 -2.114 14.216 -11.964 1.00 73.41 H new ATOM 0 HE1 PHE A 44 0.183 18.148 -10.104 1.00 45.23 H new ATOM 0 HE2 PHE A 44 -2.710 15.039 -9.727 1.00 50.13 H new ATOM 0 HZ PHE A 44 -1.559 17.005 -8.791 1.00 70.13 H new ATOM 703 N ALA A 45 0.756 13.084 -15.797 1.00 2.25 N ATOM 704 CA ALA A 45 1.112 12.765 -17.174 1.00 11.24 C ATOM 705 C ALA A 45 -0.050 13.047 -18.120 1.00 50.21 C ATOM 706 O ALA A 45 -1.200 12.719 -17.823 1.00 43.23 O ATOM 707 CB ALA A 45 1.544 11.310 -17.284 1.00 12.53 C ATOM 0 H ALA A 45 -0.018 12.534 -15.423 1.00 2.25 H new ATOM 0 HA ALA A 45 1.947 13.403 -17.465 1.00 11.24 H new ATOM 0 HB1 ALA A 45 1.807 11.086 -18.318 1.00 12.53 H new ATOM 0 HB2 ALA A 45 2.409 11.138 -16.644 1.00 12.53 H new ATOM 0 HB3 ALA A 45 0.726 10.663 -16.969 1.00 12.53 H new ATOM 713 N LEU A 46 0.256 13.657 -19.260 1.00 2.23 N ATOM 714 CA LEU A 46 -0.763 13.984 -20.250 1.00 55.25 C ATOM 715 C LEU A 46 -0.578 13.154 -21.517 1.00 11.51 C ATOM 716 O LEU A 46 0.445 13.256 -22.194 1.00 23.42 O ATOM 717 CB LEU A 46 -0.712 15.475 -20.591 1.00 60.54 C ATOM 718 CG LEU A 46 -0.543 16.428 -19.408 1.00 43.23 C ATOM 719 CD1 LEU A 46 -0.635 17.874 -19.871 1.00 14.14 C ATOM 720 CD2 LEU A 46 -1.586 16.141 -18.338 1.00 25.30 C ATOM 0 H LEU A 46 1.202 13.935 -19.521 1.00 2.23 H new ATOM 0 HA LEU A 46 -1.738 13.749 -19.823 1.00 55.25 H new ATOM 0 HB2 LEU A 46 0.111 15.640 -21.286 1.00 60.54 H new ATOM 0 HB3 LEU A 46 -1.630 15.739 -21.116 1.00 60.54 H new ATOM 0 HG LEU A 46 0.445 16.268 -18.975 1.00 43.23 H new ATOM 0 HD11 LEU A 46 -0.512 18.538 -19.016 1.00 14.14 H new ATOM 0 HD12 LEU A 46 0.150 18.073 -20.601 1.00 14.14 H new ATOM 0 HD13 LEU A 46 -1.609 18.048 -20.329 1.00 14.14 H new ATOM 0 HD21 LEU A 46 -1.450 16.829 -17.504 1.00 25.30 H new ATOM 0 HD22 LEU A 46 -2.583 16.272 -18.758 1.00 25.30 H new ATOM 0 HD23 LEU A 46 -1.473 15.116 -17.985 1.00 25.30 H new ATOM 732 N VAL A 47 -1.576 12.335 -21.833 1.00 10.21 N ATOM 733 CA VAL A 47 -1.525 11.490 -23.020 1.00 2.20 C ATOM 734 C VAL A 47 -2.784 11.652 -23.864 1.00 42.14 C ATOM 735 O VAL A 47 -3.828 12.074 -23.368 1.00 13.13 O ATOM 736 CB VAL A 47 -1.359 10.005 -22.645 1.00 44.54 C ATOM 737 CG1 VAL A 47 -2.650 9.454 -22.062 1.00 34.03 C ATOM 738 CG2 VAL A 47 -0.923 9.196 -23.858 1.00 14.14 C ATOM 0 H VAL A 47 -2.430 12.239 -21.283 1.00 10.21 H new ATOM 0 HA VAL A 47 -0.659 11.810 -23.599 1.00 2.20 H new ATOM 0 HB VAL A 47 -0.582 9.924 -21.884 1.00 44.54 H new ATOM 0 HG11 VAL A 47 -2.513 8.404 -21.803 1.00 34.03 H new ATOM 0 HG12 VAL A 47 -2.914 10.017 -21.167 1.00 34.03 H new ATOM 0 HG13 VAL A 47 -3.449 9.545 -22.797 1.00 34.03 H new ATOM 0 HG21 VAL A 47 -0.810 8.149 -23.576 1.00 14.14 H new ATOM 0 HG22 VAL A 47 -1.675 9.282 -24.642 1.00 14.14 H new ATOM 0 HG23 VAL A 47 0.030 9.577 -24.226 1.00 14.14 H new ATOM 748 N LYS A 48 -2.678 11.313 -25.145 1.00 12.31 N ATOM 749 CA LYS A 48 -3.808 11.419 -26.060 1.00 71.34 C ATOM 750 C LYS A 48 -4.183 10.051 -26.622 1.00 21.23 C ATOM 751 O LYS A 48 -3.316 9.218 -26.884 1.00 33.13 O ATOM 752 CB LYS A 48 -3.475 12.378 -27.205 1.00 74.14 C ATOM 753 CG LYS A 48 -4.530 12.410 -28.298 1.00 71.20 C ATOM 754 CD LYS A 48 -4.095 13.276 -29.468 1.00 41.20 C ATOM 755 CE LYS A 48 -5.247 13.541 -30.425 1.00 35.14 C ATOM 756 NZ LYS A 48 -4.872 14.511 -31.490 1.00 72.24 N ATOM 0 H LYS A 48 -1.821 10.963 -25.573 1.00 12.31 H new ATOM 0 HA LYS A 48 -4.659 11.810 -25.503 1.00 71.34 H new ATOM 0 HB2 LYS A 48 -3.351 13.383 -26.802 1.00 74.14 H new ATOM 0 HB3 LYS A 48 -2.519 12.090 -27.643 1.00 74.14 H new ATOM 0 HG2 LYS A 48 -4.724 11.396 -28.647 1.00 71.20 H new ATOM 0 HG3 LYS A 48 -5.466 12.791 -27.890 1.00 71.20 H new ATOM 0 HD2 LYS A 48 -3.705 14.223 -29.095 1.00 41.20 H new ATOM 0 HD3 LYS A 48 -3.282 12.785 -30.003 1.00 41.20 H new ATOM 0 HE2 LYS A 48 -5.562 12.603 -30.883 1.00 35.14 H new ATOM 0 HE3 LYS A 48 -6.101 13.926 -29.868 1.00 35.14 H new ATOM 0 HZ1 LYS A 48 -5.684 14.665 -32.121 1.00 72.24 H new ATOM 0 HZ2 LYS A 48 -4.596 15.414 -31.055 1.00 72.24 H new ATOM 0 HZ3 LYS A 48 -4.074 14.133 -32.039 1.00 72.24 H new ATOM 770 N GLY A 49 -5.481 9.827 -26.805 1.00 63.43 N ATOM 771 CA GLY A 49 -5.947 8.559 -27.336 1.00 24.21 C ATOM 772 C GLY A 49 -7.459 8.475 -27.394 1.00 50.43 C ATOM 773 O GLY A 49 -8.129 9.455 -27.719 1.00 52.04 O ATOM 0 H GLY A 49 -6.218 10.501 -26.595 1.00 63.43 H new ATOM 0 HA2 GLY A 49 -5.540 8.416 -28.337 1.00 24.21 H new ATOM 0 HA3 GLY A 49 -5.565 7.747 -26.717 1.00 24.21 H new ATOM 777 N ALA A 50 -7.998 7.302 -27.080 1.00 60.02 N ATOM 778 CA ALA A 50 -9.441 7.095 -27.098 1.00 63.41 C ATOM 779 C ALA A 50 -10.160 8.169 -26.289 1.00 62.31 C ATOM 780 O ALA A 50 -9.944 8.302 -25.085 1.00 70.52 O ATOM 781 CB ALA A 50 -9.782 5.712 -26.564 1.00 22.45 C ATOM 0 H ALA A 50 -7.457 6.480 -26.810 1.00 60.02 H new ATOM 0 HA ALA A 50 -9.781 7.168 -28.131 1.00 63.41 H new ATOM 0 HB1 ALA A 50 -10.863 5.571 -26.583 1.00 22.45 H new ATOM 0 HB2 ALA A 50 -9.306 4.954 -27.186 1.00 22.45 H new ATOM 0 HB3 ALA A 50 -9.422 5.619 -25.539 1.00 22.45 H new ATOM 787 N GLY A 51 -11.016 8.935 -26.959 1.00 65.43 N ATOM 788 CA GLY A 51 -11.753 9.988 -26.286 1.00 64.02 C ATOM 789 C GLY A 51 -11.122 11.353 -26.481 1.00 71.44 C ATOM 790 O GLY A 51 -11.821 12.362 -26.558 1.00 72.14 O ATOM 0 H GLY A 51 -11.212 8.845 -27.956 1.00 65.43 H new ATOM 0 HA2 GLY A 51 -12.776 10.007 -26.660 1.00 64.02 H new ATOM 0 HA3 GLY A 51 -11.808 9.765 -25.220 1.00 64.02 H new ATOM 794 N GLY A 52 -9.795 11.384 -26.560 1.00 11.10 N ATOM 795 CA GLY A 52 -9.093 12.640 -26.745 1.00 4.44 C ATOM 796 C GLY A 52 -7.854 12.745 -25.877 1.00 63.25 C ATOM 797 O GLY A 52 -6.824 12.140 -26.177 1.00 73.23 O ATOM 0 H GLY A 52 -9.194 10.562 -26.499 1.00 11.10 H new ATOM 0 HA2 GLY A 52 -8.809 12.743 -27.792 1.00 4.44 H new ATOM 0 HA3 GLY A 52 -9.766 13.466 -26.514 1.00 4.44 H new ATOM 801 N VAL A 53 -7.951 13.516 -24.799 1.00 52.02 N ATOM 802 CA VAL A 53 -6.829 13.698 -23.886 1.00 14.52 C ATOM 803 C VAL A 53 -7.133 13.101 -22.516 1.00 61.15 C ATOM 804 O VAL A 53 -8.247 13.225 -22.006 1.00 4.12 O ATOM 805 CB VAL A 53 -6.480 15.189 -23.717 1.00 64.12 C ATOM 806 CG1 VAL A 53 -5.705 15.696 -24.924 1.00 25.50 C ATOM 807 CG2 VAL A 53 -7.741 16.011 -23.500 1.00 73.43 C ATOM 0 H VAL A 53 -8.795 14.025 -24.536 1.00 52.02 H new ATOM 0 HA VAL A 53 -5.976 13.179 -24.324 1.00 14.52 H new ATOM 0 HB VAL A 53 -5.847 15.298 -22.836 1.00 64.12 H new ATOM 0 HG11 VAL A 53 -5.467 16.751 -24.787 1.00 25.50 H new ATOM 0 HG12 VAL A 53 -4.782 15.127 -25.029 1.00 25.50 H new ATOM 0 HG13 VAL A 53 -6.310 15.574 -25.822 1.00 25.50 H new ATOM 0 HG21 VAL A 53 -7.475 17.061 -23.383 1.00 73.43 H new ATOM 0 HG22 VAL A 53 -8.402 15.898 -24.360 1.00 73.43 H new ATOM 0 HG23 VAL A 53 -8.252 15.664 -22.602 1.00 73.43 H new ATOM 817 N HIS A 54 -6.135 12.452 -21.926 1.00 25.23 N ATOM 818 CA HIS A 54 -6.294 11.835 -20.614 1.00 11.15 C ATOM 819 C HIS A 54 -5.168 12.257 -19.675 1.00 22.54 C ATOM 820 O HIS A 54 -4.030 12.451 -20.103 1.00 11.43 O ATOM 821 CB HIS A 54 -6.323 10.312 -20.743 1.00 30.13 C ATOM 822 CG HIS A 54 -6.677 9.834 -22.117 1.00 73.12 C ATOM 823 ND1 HIS A 54 -5.881 8.974 -22.843 1.00 61.15 N ATOM 824 CD2 HIS A 54 -7.751 10.099 -22.897 1.00 51.33 C ATOM 825 CE1 HIS A 54 -6.449 8.732 -24.012 1.00 4.44 C ATOM 826 NE2 HIS A 54 -7.585 9.403 -24.069 1.00 51.02 N ATOM 0 H HIS A 54 -5.208 12.340 -22.335 1.00 25.23 H new ATOM 0 HA HIS A 54 -7.240 12.174 -20.193 1.00 11.15 H new ATOM 0 HB2 HIS A 54 -5.346 9.914 -20.469 1.00 30.13 H new ATOM 0 HB3 HIS A 54 -7.043 9.909 -20.030 1.00 30.13 H new ATOM 0 HD2 HIS A 54 -8.584 10.739 -22.645 1.00 51.33 H new ATOM 0 HE1 HIS A 54 -6.052 8.094 -24.788 1.00 4.44 H new ATOM 0 HE2 HIS A 54 -8.234 9.404 -24.856 1.00 51.02 H new ATOM 834 N ARG A 55 -5.493 12.396 -18.394 1.00 22.05 N ATOM 835 CA ARG A 55 -4.509 12.796 -17.395 1.00 0.31 C ATOM 836 C ARG A 55 -4.372 11.732 -16.310 1.00 11.44 C ATOM 837 O ARG A 55 -5.360 11.322 -15.699 1.00 45.43 O ATOM 838 CB ARG A 55 -4.904 14.134 -16.766 1.00 73.30 C ATOM 839 CG ARG A 55 -6.189 14.070 -15.956 1.00 62.21 C ATOM 840 CD ARG A 55 -6.619 15.450 -15.485 1.00 13.04 C ATOM 841 NE ARG A 55 -8.071 15.606 -15.500 1.00 73.44 N ATOM 842 CZ ARG A 55 -8.685 16.782 -15.432 1.00 31.43 C ATOM 843 NH1 ARG A 55 -7.977 17.899 -15.343 1.00 63.22 N ATOM 844 NH2 ARG A 55 -10.011 16.842 -15.452 1.00 24.32 N ATOM 0 H ARG A 55 -6.430 12.238 -18.023 1.00 22.05 H new ATOM 0 HA ARG A 55 -3.546 12.907 -17.894 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -4.094 14.476 -16.121 1.00 73.30 H new ATOM 0 HB3 ARG A 55 -5.018 14.877 -17.555 1.00 73.30 H new ATOM 0 HG2 ARG A 55 -6.980 13.628 -16.561 1.00 62.21 H new ATOM 0 HG3 ARG A 55 -6.045 13.418 -15.094 1.00 62.21 H new ATOM 0 HD2 ARG A 55 -6.247 15.621 -14.475 1.00 13.04 H new ATOM 0 HD3 ARG A 55 -6.166 16.208 -16.124 1.00 13.04 H new ATOM 0 HE ARG A 55 -8.645 14.766 -15.566 1.00 73.44 H new ATOM 0 HH11 ARG A 55 -6.958 17.857 -15.327 1.00 63.22 H new ATOM 0 HH12 ARG A 55 -8.451 18.801 -15.291 1.00 63.22 H new ATOM 0 HH21 ARG A 55 -10.559 15.985 -15.520 1.00 24.32 H new ATOM 0 HH22 ARG A 55 -10.481 17.746 -15.400 1.00 24.32 H new ATOM 858 N VAL A 56 -3.141 11.289 -16.075 1.00 32.13 N ATOM 859 CA VAL A 56 -2.875 10.273 -15.063 1.00 44.31 C ATOM 860 C VAL A 56 -1.555 10.542 -14.349 1.00 1.41 C ATOM 861 O VAL A 56 -0.534 10.801 -14.986 1.00 41.42 O ATOM 862 CB VAL A 56 -2.833 8.863 -15.681 1.00 11.01 C ATOM 863 CG1 VAL A 56 -4.236 8.393 -16.035 1.00 1.42 C ATOM 864 CG2 VAL A 56 -1.931 8.845 -16.906 1.00 30.33 C ATOM 0 H VAL A 56 -2.313 11.617 -16.571 1.00 32.13 H new ATOM 0 HA VAL A 56 -3.692 10.322 -14.343 1.00 44.31 H new ATOM 0 HB VAL A 56 -2.420 8.174 -14.944 1.00 11.01 H new ATOM 0 HG11 VAL A 56 -4.186 7.395 -16.470 1.00 1.42 H new ATOM 0 HG12 VAL A 56 -4.849 8.366 -15.134 1.00 1.42 H new ATOM 0 HG13 VAL A 56 -4.679 9.081 -16.755 1.00 1.42 H new ATOM 0 HG21 VAL A 56 -1.913 7.841 -17.330 1.00 30.33 H new ATOM 0 HG22 VAL A 56 -2.312 9.546 -17.649 1.00 30.33 H new ATOM 0 HG23 VAL A 56 -0.921 9.135 -16.618 1.00 30.33 H new ATOM 874 N ARG A 57 -1.583 10.479 -13.022 1.00 20.33 N ATOM 875 CA ARG A 57 -0.389 10.716 -12.220 1.00 3.21 C ATOM 876 C ARG A 57 0.212 9.400 -11.736 1.00 32.42 C ATOM 877 O ARG A 57 -0.326 8.325 -12.001 1.00 75.34 O ATOM 878 CB ARG A 57 -0.722 11.608 -11.022 1.00 45.14 C ATOM 879 CG ARG A 57 -1.687 10.970 -10.037 1.00 61.32 C ATOM 880 CD ARG A 57 -1.754 11.754 -8.736 1.00 34.31 C ATOM 881 NE ARG A 57 -2.472 11.024 -7.694 1.00 24.02 N ATOM 882 CZ ARG A 57 -2.685 11.505 -6.474 1.00 55.02 C ATOM 883 NH1 ARG A 57 -2.240 12.710 -6.146 1.00 20.23 N ATOM 884 NH2 ARG A 57 -3.347 10.781 -5.581 1.00 23.35 N ATOM 0 H ARG A 57 -2.420 10.266 -12.479 1.00 20.33 H new ATOM 0 HA ARG A 57 0.345 11.221 -12.848 1.00 3.21 H new ATOM 0 HB2 ARG A 57 0.201 11.861 -10.501 1.00 45.14 H new ATOM 0 HB3 ARG A 57 -1.151 12.543 -11.384 1.00 45.14 H new ATOM 0 HG2 ARG A 57 -2.680 10.916 -10.482 1.00 61.32 H new ATOM 0 HG3 ARG A 57 -1.374 9.946 -9.831 1.00 61.32 H new ATOM 0 HD2 ARG A 57 -0.743 11.975 -8.393 1.00 34.31 H new ATOM 0 HD3 ARG A 57 -2.246 12.710 -8.914 1.00 34.31 H new ATOM 0 HE ARG A 57 -2.829 10.095 -7.915 1.00 24.02 H new ATOM 0 HH11 ARG A 57 -1.733 13.270 -6.831 1.00 20.23 H new ATOM 0 HH12 ARG A 57 -2.405 13.077 -5.209 1.00 20.23 H new ATOM 0 HH21 ARG A 57 -3.693 9.854 -5.831 1.00 23.35 H new ATOM 0 HH22 ARG A 57 -3.510 11.151 -4.645 1.00 23.35 H new ATOM 898 N VAL A 58 1.331 9.492 -11.024 1.00 71.43 N ATOM 899 CA VAL A 58 2.005 8.309 -10.503 1.00 35.54 C ATOM 900 C VAL A 58 1.034 7.416 -9.737 1.00 10.20 C ATOM 901 O VAL A 58 0.430 7.839 -8.752 1.00 42.42 O ATOM 902 CB VAL A 58 3.173 8.691 -9.575 1.00 43.33 C ATOM 903 CG1 VAL A 58 2.694 9.615 -8.465 1.00 63.44 C ATOM 904 CG2 VAL A 58 3.825 7.444 -8.998 1.00 45.02 C ATOM 0 H VAL A 58 1.790 10.374 -10.795 1.00 71.43 H new ATOM 0 HA VAL A 58 2.396 7.764 -11.362 1.00 35.54 H new ATOM 0 HB VAL A 58 3.920 9.225 -10.162 1.00 43.33 H new ATOM 0 HG11 VAL A 58 3.533 9.874 -7.820 1.00 63.44 H new ATOM 0 HG12 VAL A 58 2.278 10.523 -8.902 1.00 63.44 H new ATOM 0 HG13 VAL A 58 1.927 9.111 -7.878 1.00 63.44 H new ATOM 0 HG21 VAL A 58 4.648 7.733 -8.345 1.00 45.02 H new ATOM 0 HG22 VAL A 58 3.088 6.880 -8.426 1.00 45.02 H new ATOM 0 HG23 VAL A 58 4.206 6.824 -9.809 1.00 45.02 H new ATOM 914 N GLY A 59 0.889 6.177 -10.197 1.00 2.01 N ATOM 915 CA GLY A 59 -0.009 5.244 -9.543 1.00 73.52 C ATOM 916 C GLY A 59 -1.221 4.914 -10.392 1.00 62.44 C ATOM 917 O GLY A 59 -1.729 3.793 -10.353 1.00 25.32 O ATOM 0 H GLY A 59 1.377 5.803 -11.011 1.00 2.01 H new ATOM 0 HA2 GLY A 59 0.531 4.325 -9.313 1.00 73.52 H new ATOM 0 HA3 GLY A 59 -0.338 5.666 -8.594 1.00 73.52 H new ATOM 921 N ASP A 60 -1.686 5.892 -11.161 1.00 73.23 N ATOM 922 CA ASP A 60 -2.847 5.700 -12.024 1.00 3.24 C ATOM 923 C ASP A 60 -2.598 4.580 -13.028 1.00 62.34 C ATOM 924 O ASP A 60 -1.462 4.146 -13.221 1.00 62.11 O ATOM 925 CB ASP A 60 -3.181 6.998 -12.761 1.00 0.04 C ATOM 926 CG ASP A 60 -3.925 7.986 -11.884 1.00 41.42 C ATOM 927 OD1 ASP A 60 -3.609 8.065 -10.678 1.00 51.43 O ATOM 928 OD2 ASP A 60 -4.822 8.682 -12.404 1.00 73.53 O ATOM 0 H ASP A 60 -1.278 6.826 -11.205 1.00 73.23 H new ATOM 0 HA ASP A 60 -3.693 5.419 -11.397 1.00 3.24 H new ATOM 0 HB2 ASP A 60 -2.259 7.457 -13.119 1.00 0.04 H new ATOM 0 HB3 ASP A 60 -3.785 6.769 -13.639 1.00 0.04 H new ATOM 933 N TYR A 61 -3.667 4.115 -13.665 1.00 60.10 N ATOM 934 CA TYR A 61 -3.565 3.042 -14.647 1.00 53.34 C ATOM 935 C TYR A 61 -4.222 3.445 -15.964 1.00 51.41 C ATOM 936 O TYR A 61 -5.240 4.139 -15.977 1.00 73.43 O ATOM 937 CB TYR A 61 -4.216 1.767 -14.110 1.00 23.52 C ATOM 938 CG TYR A 61 -3.699 1.350 -12.751 1.00 61.54 C ATOM 939 CD1 TYR A 61 -4.262 1.855 -11.587 1.00 12.55 C ATOM 940 CD2 TYR A 61 -2.648 0.449 -12.633 1.00 63.50 C ATOM 941 CE1 TYR A 61 -3.793 1.478 -10.344 1.00 24.25 C ATOM 942 CE2 TYR A 61 -2.173 0.064 -11.394 1.00 44.01 C ATOM 943 CZ TYR A 61 -2.748 0.582 -10.252 1.00 61.24 C ATOM 944 OH TYR A 61 -2.278 0.202 -9.016 1.00 73.10 O ATOM 0 H TYR A 61 -4.614 4.464 -13.519 1.00 60.10 H new ATOM 0 HA TYR A 61 -2.508 2.852 -14.832 1.00 53.34 H new ATOM 0 HB2 TYR A 61 -5.294 1.917 -14.049 1.00 23.52 H new ATOM 0 HB3 TYR A 61 -4.047 0.956 -14.819 1.00 23.52 H new ATOM 0 HD1 TYR A 61 -5.081 2.555 -11.655 1.00 12.55 H new ATOM 0 HD2 TYR A 61 -2.195 0.043 -13.525 1.00 63.50 H new ATOM 0 HE1 TYR A 61 -4.242 1.882 -9.449 1.00 24.25 H new ATOM 0 HE2 TYR A 61 -1.356 -0.639 -11.320 1.00 44.01 H new ATOM 0 HH TYR A 61 -1.541 -0.435 -9.128 1.00 73.10 H new ATOM 954 N LEU A 62 -3.633 3.006 -17.070 1.00 64.14 N ATOM 955 CA LEU A 62 -4.159 3.319 -18.394 1.00 54.13 C ATOM 956 C LEU A 62 -3.919 2.166 -19.363 1.00 31.41 C ATOM 957 O LEU A 62 -2.893 1.490 -19.298 1.00 2.43 O ATOM 958 CB LEU A 62 -3.512 4.596 -18.933 1.00 52.03 C ATOM 959 CG LEU A 62 -4.457 5.600 -19.595 1.00 70.42 C ATOM 960 CD1 LEU A 62 -5.006 6.575 -18.566 1.00 2.23 C ATOM 961 CD2 LEU A 62 -3.744 6.346 -20.713 1.00 40.22 C ATOM 0 H LEU A 62 -2.790 2.432 -17.077 1.00 64.14 H new ATOM 0 HA LEU A 62 -5.234 3.474 -18.303 1.00 54.13 H new ATOM 0 HB2 LEU A 62 -3.002 5.096 -18.110 1.00 52.03 H new ATOM 0 HB3 LEU A 62 -2.748 4.314 -19.658 1.00 52.03 H new ATOM 0 HG LEU A 62 -5.294 5.052 -20.028 1.00 70.42 H new ATOM 0 HD11 LEU A 62 -5.676 7.282 -19.056 1.00 2.23 H new ATOM 0 HD12 LEU A 62 -5.554 6.026 -17.800 1.00 2.23 H new ATOM 0 HD13 LEU A 62 -4.182 7.118 -18.103 1.00 2.23 H new ATOM 0 HD21 LEU A 62 -4.431 7.056 -21.173 1.00 40.22 H new ATOM 0 HD22 LEU A 62 -2.888 6.883 -20.304 1.00 40.22 H new ATOM 0 HD23 LEU A 62 -3.401 5.635 -21.464 1.00 40.22 H new ATOM 973 N GLY A 63 -4.873 1.947 -20.263 1.00 62.13 N ATOM 974 CA GLY A 63 -4.745 0.876 -21.234 1.00 61.12 C ATOM 975 C GLY A 63 -5.290 -0.441 -20.719 1.00 72.45 C ATOM 976 O GLY A 63 -5.501 -0.606 -19.518 1.00 34.41 O ATOM 0 H GLY A 63 -5.732 2.492 -20.337 1.00 62.13 H new ATOM 0 HA2 GLY A 63 -5.273 1.152 -22.147 1.00 61.12 H new ATOM 0 HA3 GLY A 63 -3.695 0.753 -21.498 1.00 61.12 H new ATOM 980 N ARG A 64 -5.520 -1.381 -21.631 1.00 33.24 N ATOM 981 CA ARG A 64 -6.047 -2.690 -21.262 1.00 53.32 C ATOM 982 C ARG A 64 -5.000 -3.505 -20.509 1.00 15.03 C ATOM 983 O ARG A 64 -5.332 -4.448 -19.792 1.00 12.14 O ATOM 984 CB ARG A 64 -6.501 -3.450 -22.510 1.00 25.22 C ATOM 985 CG ARG A 64 -7.980 -3.287 -22.819 1.00 22.13 C ATOM 986 CD ARG A 64 -8.413 -4.192 -23.961 1.00 75.30 C ATOM 987 NE ARG A 64 -8.050 -5.587 -23.723 1.00 12.43 N ATOM 988 CZ ARG A 64 -8.736 -6.399 -22.926 1.00 40.11 C ATOM 989 NH1 ARG A 64 -9.816 -5.958 -22.295 1.00 65.11 N ATOM 990 NH2 ARG A 64 -8.342 -7.655 -22.760 1.00 35.21 N ATOM 0 H ARG A 64 -5.350 -1.261 -22.629 1.00 33.24 H new ATOM 0 HA ARG A 64 -6.904 -2.538 -20.606 1.00 53.32 H new ATOM 0 HB2 ARG A 64 -5.920 -3.106 -23.366 1.00 25.22 H new ATOM 0 HB3 ARG A 64 -6.280 -4.510 -22.380 1.00 25.22 H new ATOM 0 HG2 ARG A 64 -8.566 -3.516 -21.929 1.00 22.13 H new ATOM 0 HG3 ARG A 64 -8.187 -2.249 -23.078 1.00 22.13 H new ATOM 0 HD2 ARG A 64 -9.492 -4.116 -24.094 1.00 75.30 H new ATOM 0 HD3 ARG A 64 -7.953 -3.851 -24.888 1.00 75.30 H new ATOM 0 HE ARG A 64 -7.225 -5.958 -24.194 1.00 12.43 H new ATOM 0 HH11 ARG A 64 -10.122 -4.993 -22.421 1.00 65.11 H new ATOM 0 HH12 ARG A 64 -10.341 -6.584 -21.684 1.00 65.11 H new ATOM 0 HH21 ARG A 64 -7.512 -7.997 -23.244 1.00 35.21 H new ATOM 0 HH22 ARG A 64 -8.869 -8.278 -22.148 1.00 35.21 H new ATOM 1004 N ASN A 65 -3.735 -3.135 -20.678 1.00 13.53 N ATOM 1005 CA ASN A 65 -2.640 -3.832 -20.014 1.00 64.15 C ATOM 1006 C ASN A 65 -2.443 -3.311 -18.594 1.00 54.11 C ATOM 1007 O ASN A 65 -1.534 -3.741 -17.884 1.00 51.22 O ATOM 1008 CB ASN A 65 -1.345 -3.668 -20.813 1.00 50.23 C ATOM 1009 CG ASN A 65 -1.496 -4.108 -22.256 1.00 73.45 C ATOM 1010 OD1 ASN A 65 -1.152 -3.372 -23.181 1.00 72.33 O ATOM 1011 ND2 ASN A 65 -2.014 -5.315 -22.455 1.00 62.23 N ATOM 0 H ASN A 65 -3.443 -2.357 -21.269 1.00 13.53 H new ATOM 0 HA ASN A 65 -2.896 -4.890 -19.961 1.00 64.15 H new ATOM 0 HB2 ASN A 65 -1.034 -2.624 -20.785 1.00 50.23 H new ATOM 0 HB3 ASN A 65 -0.553 -4.249 -20.340 1.00 50.23 H new ATOM 0 HD21 ASN A 65 -2.140 -5.666 -23.405 1.00 62.23 H new ATOM 0 HD22 ASN A 65 -2.285 -5.891 -21.658 1.00 62.23 H new ATOM 1018 N ASP A 66 -3.302 -2.383 -18.186 1.00 74.24 N ATOM 1019 CA ASP A 66 -3.225 -1.804 -16.850 1.00 73.13 C ATOM 1020 C ASP A 66 -1.920 -1.036 -16.665 1.00 71.33 C ATOM 1021 O ASP A 66 -1.261 -1.152 -15.633 1.00 61.11 O ATOM 1022 CB ASP A 66 -3.342 -2.899 -15.789 1.00 60.30 C ATOM 1023 CG ASP A 66 -4.377 -3.947 -16.149 1.00 51.34 C ATOM 1024 OD1 ASP A 66 -5.585 -3.657 -16.020 1.00 11.23 O ATOM 1025 OD2 ASP A 66 -3.979 -5.056 -16.562 1.00 13.01 O ATOM 0 H ASP A 66 -4.060 -2.016 -18.762 1.00 74.24 H new ATOM 0 HA ASP A 66 -4.055 -1.107 -16.734 1.00 73.13 H new ATOM 0 HB2 ASP A 66 -2.372 -3.380 -15.659 1.00 60.30 H new ATOM 0 HB3 ASP A 66 -3.604 -2.447 -14.832 1.00 60.30 H new ATOM 1030 N GLY A 67 -1.552 -0.252 -17.674 1.00 74.12 N ATOM 1031 CA GLY A 67 -0.327 0.522 -17.603 1.00 50.15 C ATOM 1032 C GLY A 67 -0.278 1.419 -16.383 1.00 2.33 C ATOM 1033 O GLY A 67 -0.884 2.491 -16.365 1.00 61.21 O ATOM 0 H GLY A 67 -2.081 -0.139 -18.539 1.00 74.12 H new ATOM 0 HA2 GLY A 67 0.527 -0.156 -17.586 1.00 50.15 H new ATOM 0 HA3 GLY A 67 -0.233 1.131 -18.502 1.00 50.15 H new ATOM 1037 N LYS A 68 0.445 0.981 -15.357 1.00 53.33 N ATOM 1038 CA LYS A 68 0.571 1.751 -14.126 1.00 3.25 C ATOM 1039 C LYS A 68 1.705 2.766 -14.232 1.00 52.24 C ATOM 1040 O LYS A 68 2.853 2.404 -14.488 1.00 44.52 O ATOM 1041 CB LYS A 68 0.819 0.817 -12.939 1.00 62.11 C ATOM 1042 CG LYS A 68 0.961 1.543 -11.613 1.00 21.05 C ATOM 1043 CD LYS A 68 1.649 0.674 -10.572 1.00 55.53 C ATOM 1044 CE LYS A 68 3.124 0.485 -10.891 1.00 13.21 C ATOM 1045 NZ LYS A 68 3.830 -0.270 -9.819 1.00 61.14 N ATOM 0 H LYS A 68 0.953 0.096 -15.354 1.00 53.33 H new ATOM 0 HA LYS A 68 -0.363 2.291 -13.968 1.00 3.25 H new ATOM 0 HB2 LYS A 68 -0.005 0.107 -12.868 1.00 62.11 H new ATOM 0 HB3 LYS A 68 1.724 0.238 -13.126 1.00 62.11 H new ATOM 0 HG2 LYS A 68 1.533 2.460 -11.758 1.00 21.05 H new ATOM 0 HG3 LYS A 68 -0.024 1.836 -11.250 1.00 21.05 H new ATOM 0 HD2 LYS A 68 1.544 1.131 -9.588 1.00 55.53 H new ATOM 0 HD3 LYS A 68 1.158 -0.298 -10.526 1.00 55.53 H new ATOM 0 HE2 LYS A 68 3.226 -0.046 -11.837 1.00 13.21 H new ATOM 0 HE3 LYS A 68 3.596 1.459 -11.020 1.00 13.21 H new ATOM 0 HZ1 LYS A 68 4.833 -0.378 -10.073 1.00 61.14 H new ATOM 0 HZ2 LYS A 68 3.755 0.249 -8.921 1.00 61.14 H new ATOM 0 HZ3 LYS A 68 3.397 -1.209 -9.713 1.00 61.14 H new ATOM 1059 N VAL A 69 1.375 4.038 -14.033 1.00 52.43 N ATOM 1060 CA VAL A 69 2.366 5.105 -14.105 1.00 13.53 C ATOM 1061 C VAL A 69 3.374 4.997 -12.966 1.00 74.41 C ATOM 1062 O VAL A 69 3.002 4.985 -11.792 1.00 40.15 O ATOM 1063 CB VAL A 69 1.700 6.494 -14.056 1.00 23.35 C ATOM 1064 CG1 VAL A 69 2.752 7.592 -14.093 1.00 20.12 C ATOM 1065 CG2 VAL A 69 0.712 6.651 -15.201 1.00 42.34 C ATOM 0 H VAL A 69 0.429 4.355 -13.821 1.00 52.43 H new ATOM 0 HA VAL A 69 2.884 4.992 -15.057 1.00 13.53 H new ATOM 0 HB VAL A 69 1.151 6.582 -13.119 1.00 23.35 H new ATOM 0 HG11 VAL A 69 2.263 8.566 -14.058 1.00 20.12 H new ATOM 0 HG12 VAL A 69 3.417 7.488 -13.235 1.00 20.12 H new ATOM 0 HG13 VAL A 69 3.331 7.510 -15.013 1.00 20.12 H new ATOM 0 HG21 VAL A 69 0.251 7.637 -15.151 1.00 42.34 H new ATOM 0 HG22 VAL A 69 1.236 6.543 -16.151 1.00 42.34 H new ATOM 0 HG23 VAL A 69 -0.060 5.885 -15.123 1.00 42.34 H new ATOM 1075 N VAL A 70 4.652 4.917 -13.320 1.00 44.15 N ATOM 1076 CA VAL A 70 5.715 4.811 -12.328 1.00 65.34 C ATOM 1077 C VAL A 70 6.705 5.963 -12.458 1.00 1.24 C ATOM 1078 O VAL A 70 7.333 6.368 -11.481 1.00 3.34 O ATOM 1079 CB VAL A 70 6.476 3.478 -12.462 1.00 1.05 C ATOM 1080 CG1 VAL A 70 5.502 2.311 -12.527 1.00 2.42 C ATOM 1081 CG2 VAL A 70 7.378 3.500 -13.687 1.00 33.35 C ATOM 0 H VAL A 70 4.977 4.924 -14.287 1.00 44.15 H new ATOM 0 HA VAL A 70 5.239 4.853 -11.348 1.00 65.34 H new ATOM 0 HB VAL A 70 7.103 3.348 -11.580 1.00 1.05 H new ATOM 0 HG11 VAL A 70 6.058 1.378 -12.622 1.00 2.42 H new ATOM 0 HG12 VAL A 70 4.903 2.286 -11.617 1.00 2.42 H new ATOM 0 HG13 VAL A 70 4.846 2.432 -13.389 1.00 2.42 H new ATOM 0 HG21 VAL A 70 7.908 2.551 -13.766 1.00 33.35 H new ATOM 0 HG22 VAL A 70 6.774 3.654 -14.581 1.00 33.35 H new ATOM 0 HG23 VAL A 70 8.100 4.311 -13.593 1.00 33.35 H new ATOM 1091 N GLY A 71 6.839 6.488 -13.672 1.00 15.31 N ATOM 1092 CA GLY A 71 7.753 7.590 -13.907 1.00 43.02 C ATOM 1093 C GLY A 71 7.164 8.649 -14.818 1.00 71.40 C ATOM 1094 O GLY A 71 6.431 8.332 -15.755 1.00 74.02 O ATOM 0 H GLY A 71 6.331 6.170 -14.497 1.00 15.31 H new ATOM 0 HA2 GLY A 71 8.022 8.044 -12.953 1.00 43.02 H new ATOM 0 HA3 GLY A 71 8.673 7.207 -14.348 1.00 43.02 H new ATOM 1098 N ILE A 72 7.483 9.909 -14.542 1.00 71.40 N ATOM 1099 CA ILE A 72 6.979 11.017 -15.344 1.00 21.24 C ATOM 1100 C ILE A 72 8.090 12.010 -15.668 1.00 15.44 C ATOM 1101 O ILE A 72 8.700 12.590 -14.769 1.00 71.41 O ATOM 1102 CB ILE A 72 5.836 11.758 -14.625 1.00 23.34 C ATOM 1103 CG1 ILE A 72 4.667 10.806 -14.363 1.00 50.15 C ATOM 1104 CG2 ILE A 72 5.380 12.953 -15.448 1.00 12.14 C ATOM 1105 CD1 ILE A 72 3.595 11.396 -13.475 1.00 14.14 C ATOM 0 H ILE A 72 8.088 10.188 -13.770 1.00 71.40 H new ATOM 0 HA ILE A 72 6.596 10.588 -16.270 1.00 21.24 H new ATOM 0 HB ILE A 72 6.205 12.122 -13.666 1.00 23.34 H new ATOM 0 HG12 ILE A 72 4.221 10.520 -15.316 1.00 50.15 H new ATOM 0 HG13 ILE A 72 5.048 9.894 -13.903 1.00 50.15 H new ATOM 0 HG21 ILE A 72 4.572 13.467 -14.927 1.00 12.14 H new ATOM 0 HG22 ILE A 72 6.216 13.639 -15.587 1.00 12.14 H new ATOM 0 HG23 ILE A 72 5.025 12.611 -16.420 1.00 12.14 H new ATOM 0 HD11 ILE A 72 2.798 10.666 -13.332 1.00 14.14 H new ATOM 0 HD12 ILE A 72 4.026 11.656 -12.508 1.00 14.14 H new ATOM 0 HD13 ILE A 72 3.187 12.292 -13.943 1.00 14.14 H new ATOM 1117 N SER A 73 8.345 12.204 -16.958 1.00 1.15 N ATOM 1118 CA SER A 73 9.384 13.127 -17.401 1.00 33.31 C ATOM 1119 C SER A 73 8.773 14.333 -18.108 1.00 61.33 C ATOM 1120 O SER A 73 7.560 14.536 -18.075 1.00 0.13 O ATOM 1121 CB SER A 73 10.363 12.414 -18.336 1.00 52.40 C ATOM 1122 OG SER A 73 10.659 11.111 -17.867 1.00 25.43 O ATOM 0 H SER A 73 7.847 11.735 -17.714 1.00 1.15 H new ATOM 0 HA SER A 73 9.924 13.479 -16.522 1.00 33.31 H new ATOM 0 HB2 SER A 73 9.937 12.355 -19.338 1.00 52.40 H new ATOM 0 HB3 SER A 73 11.283 12.993 -18.415 1.00 52.40 H new ATOM 0 HG SER A 73 11.611 10.923 -18.002 1.00 25.43 H new ATOM 1128 N GLU A 74 9.624 15.129 -18.748 1.00 71.12 N ATOM 1129 CA GLU A 74 9.168 16.315 -19.463 1.00 44.41 C ATOM 1130 C GLU A 74 8.896 15.996 -20.930 1.00 61.41 C ATOM 1131 O GLU A 74 8.197 16.737 -21.619 1.00 41.31 O ATOM 1132 CB GLU A 74 10.209 17.432 -19.358 1.00 0.21 C ATOM 1133 CG GLU A 74 11.552 17.072 -19.970 1.00 3.20 C ATOM 1134 CD GLU A 74 12.510 18.247 -20.008 1.00 0.24 C ATOM 1135 OE1 GLU A 74 12.212 19.275 -19.363 1.00 45.14 O ATOM 1136 OE2 GLU A 74 13.556 18.140 -20.681 1.00 21.53 O ATOM 0 H GLU A 74 10.631 14.974 -18.786 1.00 71.12 H new ATOM 0 HA GLU A 74 8.238 16.649 -19.003 1.00 44.41 H new ATOM 0 HB2 GLU A 74 9.823 18.325 -19.850 1.00 0.21 H new ATOM 0 HB3 GLU A 74 10.354 17.684 -18.308 1.00 0.21 H new ATOM 0 HG2 GLU A 74 12.001 16.260 -19.398 1.00 3.20 H new ATOM 0 HG3 GLU A 74 11.398 16.701 -20.983 1.00 3.20 H new ATOM 1143 N GLY A 75 9.455 14.885 -21.401 1.00 72.34 N ATOM 1144 CA GLY A 75 9.262 14.486 -22.783 1.00 72.13 C ATOM 1145 C GLY A 75 8.976 13.004 -22.925 1.00 24.14 C ATOM 1146 O GLY A 75 9.035 12.454 -24.025 1.00 5.43 O ATOM 0 H GLY A 75 10.038 14.255 -20.850 1.00 72.34 H new ATOM 0 HA2 GLY A 75 8.436 15.055 -23.210 1.00 72.13 H new ATOM 0 HA3 GLY A 75 10.153 14.738 -23.358 1.00 72.13 H new ATOM 1150 N LYS A 76 8.667 12.354 -21.808 1.00 23.51 N ATOM 1151 CA LYS A 76 8.372 10.926 -21.810 1.00 71.34 C ATOM 1152 C LYS A 76 7.757 10.495 -20.483 1.00 21.04 C ATOM 1153 O LYS A 76 7.981 11.128 -19.450 1.00 72.23 O ATOM 1154 CB LYS A 76 9.645 10.121 -22.080 1.00 25.13 C ATOM 1155 CG LYS A 76 10.735 10.343 -21.045 1.00 62.50 C ATOM 1156 CD LYS A 76 11.581 11.560 -21.378 1.00 65.34 C ATOM 1157 CE LYS A 76 12.979 11.445 -20.790 1.00 23.30 C ATOM 1158 NZ LYS A 76 13.799 10.426 -21.503 1.00 2.41 N ATOM 0 H LYS A 76 8.614 12.794 -20.889 1.00 23.51 H new ATOM 0 HA LYS A 76 7.651 10.731 -22.604 1.00 71.34 H new ATOM 0 HB2 LYS A 76 9.395 9.061 -22.110 1.00 25.13 H new ATOM 0 HB3 LYS A 76 10.031 10.386 -23.064 1.00 25.13 H new ATOM 0 HG2 LYS A 76 10.283 10.471 -20.061 1.00 62.50 H new ATOM 0 HG3 LYS A 76 11.372 9.460 -20.991 1.00 62.50 H new ATOM 0 HD2 LYS A 76 11.648 11.672 -22.460 1.00 65.34 H new ATOM 0 HD3 LYS A 76 11.096 12.458 -20.994 1.00 65.34 H new ATOM 0 HE2 LYS A 76 13.476 12.413 -20.844 1.00 23.30 H new ATOM 0 HE3 LYS A 76 12.909 11.181 -19.735 1.00 23.30 H new ATOM 0 HZ1 LYS A 76 14.804 10.571 -21.280 1.00 2.41 H new ATOM 0 HZ2 LYS A 76 13.511 9.474 -21.199 1.00 2.41 H new ATOM 0 HZ3 LYS A 76 13.655 10.520 -22.529 1.00 2.41 H new ATOM 1172 N ILE A 77 6.984 9.415 -20.517 1.00 15.24 N ATOM 1173 CA ILE A 77 6.339 8.899 -19.315 1.00 43.41 C ATOM 1174 C ILE A 77 6.576 7.401 -19.165 1.00 22.44 C ATOM 1175 O ILE A 77 6.223 6.614 -20.044 1.00 10.51 O ATOM 1176 CB ILE A 77 4.823 9.169 -19.329 1.00 41.23 C ATOM 1177 CG1 ILE A 77 4.551 10.673 -19.415 1.00 23.45 C ATOM 1178 CG2 ILE A 77 4.168 8.576 -18.091 1.00 0.43 C ATOM 1179 CD1 ILE A 77 3.313 11.019 -20.211 1.00 70.53 C ATOM 0 H ILE A 77 6.789 8.880 -21.363 1.00 15.24 H new ATOM 0 HA ILE A 77 6.784 9.422 -18.469 1.00 43.41 H new ATOM 0 HB ILE A 77 4.392 8.691 -20.208 1.00 41.23 H new ATOM 0 HG12 ILE A 77 4.448 11.074 -18.406 1.00 23.45 H new ATOM 0 HG13 ILE A 77 5.413 11.164 -19.867 1.00 23.45 H new ATOM 0 HG21 ILE A 77 3.097 8.775 -18.115 1.00 0.43 H new ATOM 0 HG22 ILE A 77 4.337 7.499 -18.071 1.00 0.43 H new ATOM 0 HG23 ILE A 77 4.601 9.028 -17.199 1.00 0.43 H new ATOM 0 HD11 ILE A 77 3.183 12.101 -20.229 1.00 70.53 H new ATOM 0 HD12 ILE A 77 3.421 10.649 -21.231 1.00 70.53 H new ATOM 0 HD13 ILE A 77 2.441 10.557 -19.748 1.00 70.53 H new ATOM 1191 N ASP A 78 7.175 7.011 -18.044 1.00 55.53 N ATOM 1192 CA ASP A 78 7.456 5.606 -17.776 1.00 63.13 C ATOM 1193 C ASP A 78 6.287 4.946 -17.053 1.00 74.41 C ATOM 1194 O ASP A 78 5.852 5.411 -15.999 1.00 63.42 O ATOM 1195 CB ASP A 78 8.731 5.469 -16.942 1.00 13.33 C ATOM 1196 CG ASP A 78 9.979 5.815 -17.730 1.00 33.10 C ATOM 1197 OD1 ASP A 78 10.347 7.008 -17.765 1.00 61.15 O ATOM 1198 OD2 ASP A 78 10.588 4.892 -18.311 1.00 14.43 O ATOM 0 H ASP A 78 7.475 7.649 -17.307 1.00 55.53 H new ATOM 0 HA ASP A 78 7.600 5.101 -18.731 1.00 63.13 H new ATOM 0 HB2 ASP A 78 8.663 6.120 -16.070 1.00 13.33 H new ATOM 0 HB3 ASP A 78 8.811 4.447 -16.571 1.00 13.33 H new ATOM 1203 N VAL A 79 5.780 3.859 -17.627 1.00 72.02 N ATOM 1204 CA VAL A 79 4.660 3.134 -17.038 1.00 4.34 C ATOM 1205 C VAL A 79 4.838 1.628 -17.193 1.00 12.21 C ATOM 1206 O VAL A 79 5.451 1.161 -18.153 1.00 42.10 O ATOM 1207 CB VAL A 79 3.323 3.551 -17.677 1.00 53.23 C ATOM 1208 CG1 VAL A 79 3.164 5.064 -17.646 1.00 62.33 C ATOM 1209 CG2 VAL A 79 3.227 3.026 -19.102 1.00 22.13 C ATOM 0 H VAL A 79 6.127 3.461 -18.500 1.00 72.02 H new ATOM 0 HA VAL A 79 4.641 3.387 -15.978 1.00 4.34 H new ATOM 0 HB VAL A 79 2.511 3.113 -17.097 1.00 53.23 H new ATOM 0 HG11 VAL A 79 2.213 5.339 -18.102 1.00 62.33 H new ATOM 0 HG12 VAL A 79 3.185 5.411 -16.613 1.00 62.33 H new ATOM 0 HG13 VAL A 79 3.980 5.527 -18.201 1.00 62.33 H new ATOM 0 HG21 VAL A 79 2.276 3.330 -19.538 1.00 22.13 H new ATOM 0 HG22 VAL A 79 4.045 3.433 -19.696 1.00 22.13 H new ATOM 0 HG23 VAL A 79 3.291 1.938 -19.094 1.00 22.13 H new ATOM 1219 N ILE A 80 4.297 0.873 -16.243 1.00 12.23 N ATOM 1220 CA ILE A 80 4.394 -0.581 -16.275 1.00 41.30 C ATOM 1221 C ILE A 80 3.106 -1.206 -16.799 1.00 31.41 C ATOM 1222 O ILE A 80 2.048 -1.080 -16.183 1.00 42.20 O ATOM 1223 CB ILE A 80 4.700 -1.156 -14.879 1.00 41.44 C ATOM 1224 CG1 ILE A 80 6.205 -1.115 -14.606 1.00 11.54 C ATOM 1225 CG2 ILE A 80 4.174 -2.579 -14.766 1.00 2.32 C ATOM 1226 CD1 ILE A 80 6.995 -2.117 -15.418 1.00 55.44 C ATOM 0 H ILE A 80 3.787 1.244 -15.441 1.00 12.23 H new ATOM 0 HA ILE A 80 5.215 -0.828 -16.948 1.00 41.30 H new ATOM 0 HB ILE A 80 4.197 -0.543 -14.131 1.00 41.44 H new ATOM 0 HG12 ILE A 80 6.577 -0.113 -14.819 1.00 11.54 H new ATOM 0 HG13 ILE A 80 6.379 -1.301 -13.546 1.00 11.54 H new ATOM 0 HG21 ILE A 80 4.398 -2.972 -13.774 1.00 2.32 H new ATOM 0 HG22 ILE A 80 3.095 -2.582 -14.923 1.00 2.32 H new ATOM 0 HG23 ILE A 80 4.652 -3.204 -15.520 1.00 2.32 H new ATOM 0 HD11 ILE A 80 8.053 -2.031 -15.172 1.00 55.44 H new ATOM 0 HD12 ILE A 80 6.650 -3.125 -15.188 1.00 55.44 H new ATOM 0 HD13 ILE A 80 6.852 -1.918 -16.480 1.00 55.44 H new ATOM 1238 N GLU A 81 3.204 -1.883 -17.939 1.00 60.00 N ATOM 1239 CA GLU A 81 2.046 -2.530 -18.545 1.00 11.51 C ATOM 1240 C GLU A 81 2.130 -4.046 -18.398 1.00 24.14 C ATOM 1241 O GLU A 81 3.217 -4.607 -18.255 1.00 4.41 O ATOM 1242 CB GLU A 81 1.941 -2.155 -20.025 1.00 0.02 C ATOM 1243 CG GLU A 81 1.887 -0.657 -20.271 1.00 12.40 C ATOM 1244 CD GLU A 81 2.384 -0.274 -21.652 1.00 14.14 C ATOM 1245 OE1 GLU A 81 2.525 -1.176 -22.503 1.00 72.12 O ATOM 1246 OE2 GLU A 81 2.631 0.929 -21.880 1.00 70.10 O ATOM 0 H GLU A 81 4.073 -1.998 -18.461 1.00 60.00 H new ATOM 0 HA GLU A 81 1.154 -2.181 -18.025 1.00 11.51 H new ATOM 0 HB2 GLU A 81 2.796 -2.572 -20.558 1.00 0.02 H new ATOM 0 HB3 GLU A 81 1.047 -2.616 -20.445 1.00 0.02 H new ATOM 0 HG2 GLU A 81 0.861 -0.309 -20.149 1.00 12.40 H new ATOM 0 HG3 GLU A 81 2.488 -0.147 -19.518 1.00 12.40 H new ATOM 1253 N ILE A 82 0.976 -4.703 -18.433 1.00 20.14 N ATOM 1254 CA ILE A 82 0.919 -6.154 -18.304 1.00 2.14 C ATOM 1255 C ILE A 82 0.832 -6.824 -19.670 1.00 71.35 C ATOM 1256 O ILE A 82 -0.026 -6.486 -20.486 1.00 71.32 O ATOM 1257 CB ILE A 82 -0.284 -6.596 -17.450 1.00 24.44 C ATOM 1258 CG1 ILE A 82 -0.280 -5.865 -16.106 1.00 4.41 C ATOM 1259 CG2 ILE A 82 -0.258 -8.103 -17.238 1.00 44.25 C ATOM 1260 CD1 ILE A 82 0.913 -6.201 -15.238 1.00 40.23 C ATOM 0 H ILE A 82 0.068 -4.254 -18.550 1.00 20.14 H new ATOM 0 HA ILE A 82 1.839 -6.463 -17.808 1.00 2.14 H new ATOM 0 HB ILE A 82 -1.201 -6.338 -17.980 1.00 24.44 H new ATOM 0 HG12 ILE A 82 -0.296 -4.790 -16.286 1.00 4.41 H new ATOM 0 HG13 ILE A 82 -1.194 -6.112 -15.565 1.00 4.41 H new ATOM 0 HG21 ILE A 82 -1.114 -8.400 -16.633 1.00 44.25 H new ATOM 0 HG22 ILE A 82 -0.304 -8.607 -18.203 1.00 44.25 H new ATOM 0 HG23 ILE A 82 0.663 -8.383 -16.726 1.00 44.25 H new ATOM 0 HD11 ILE A 82 0.849 -5.647 -14.302 1.00 40.23 H new ATOM 0 HD12 ILE A 82 0.920 -7.270 -15.027 1.00 40.23 H new ATOM 0 HD13 ILE A 82 1.831 -5.928 -15.759 1.00 40.23 H new ATOM 1272 N VAL A 83 1.725 -7.778 -19.914 1.00 30.33 N ATOM 1273 CA VAL A 83 1.748 -8.499 -21.181 1.00 35.42 C ATOM 1274 C VAL A 83 1.833 -10.005 -20.955 1.00 41.31 C ATOM 1275 O VAL A 83 2.363 -10.478 -19.949 1.00 40.54 O ATOM 1276 CB VAL A 83 2.933 -8.055 -22.059 1.00 14.25 C ATOM 1277 CG1 VAL A 83 2.853 -6.564 -22.348 1.00 53.34 C ATOM 1278 CG2 VAL A 83 4.252 -8.406 -21.389 1.00 24.13 C ATOM 0 H VAL A 83 2.443 -8.070 -19.250 1.00 30.33 H new ATOM 0 HA VAL A 83 0.816 -8.264 -21.696 1.00 35.42 H new ATOM 0 HB VAL A 83 2.880 -8.588 -23.008 1.00 14.25 H new ATOM 0 HG11 VAL A 83 3.698 -6.268 -22.969 1.00 53.34 H new ATOM 0 HG12 VAL A 83 1.923 -6.344 -22.872 1.00 53.34 H new ATOM 0 HG13 VAL A 83 2.881 -6.010 -21.410 1.00 53.34 H new ATOM 0 HG21 VAL A 83 5.079 -8.085 -22.023 1.00 24.13 H new ATOM 0 HG22 VAL A 83 4.316 -7.901 -20.425 1.00 24.13 H new ATOM 0 HG23 VAL A 83 4.308 -9.484 -21.238 1.00 24.13 H new ATOM 1288 N PRO A 84 1.300 -10.778 -21.913 1.00 12.23 N ATOM 1289 CA PRO A 84 1.304 -12.242 -21.842 1.00 2.12 C ATOM 1290 C PRO A 84 2.702 -12.826 -22.012 1.00 64.30 C ATOM 1291 O PRO A 84 3.558 -12.232 -22.668 1.00 61.32 O ATOM 1292 CB PRO A 84 0.406 -12.656 -23.010 1.00 33.32 C ATOM 1293 CG PRO A 84 0.489 -11.523 -23.973 1.00 2.43 C ATOM 1294 CD PRO A 84 0.652 -10.282 -23.139 1.00 31.04 C ATOM 0 HA PRO A 84 0.960 -12.604 -20.873 1.00 2.12 H new ATOM 0 HB2 PRO A 84 0.749 -13.586 -23.463 1.00 33.32 H new ATOM 0 HB3 PRO A 84 -0.620 -12.821 -22.681 1.00 33.32 H new ATOM 0 HG2 PRO A 84 1.331 -11.650 -24.653 1.00 2.43 H new ATOM 0 HG3 PRO A 84 -0.410 -11.466 -24.587 1.00 2.43 H new ATOM 0 HD2 PRO A 84 1.265 -9.536 -23.644 1.00 31.04 H new ATOM 0 HD3 PRO A 84 -0.308 -9.813 -22.925 1.00 31.04 H new ATOM 1302 N ASP A 85 2.927 -13.993 -21.418 1.00 2.13 N ATOM 1303 CA ASP A 85 4.222 -14.658 -21.505 1.00 72.50 C ATOM 1304 C ASP A 85 4.230 -15.685 -22.634 1.00 1.24 C ATOM 1305 O ASP A 85 5.267 -15.943 -23.244 1.00 55.21 O ATOM 1306 CB ASP A 85 4.560 -15.339 -20.178 1.00 11.04 C ATOM 1307 CG ASP A 85 6.034 -15.673 -20.057 1.00 72.12 C ATOM 1308 OD1 ASP A 85 6.831 -15.140 -20.858 1.00 33.21 O ATOM 1309 OD2 ASP A 85 6.391 -16.467 -19.162 1.00 15.32 O ATOM 0 H ASP A 85 2.230 -14.498 -20.871 1.00 2.13 H new ATOM 0 HA ASP A 85 4.977 -13.902 -21.719 1.00 72.50 H new ATOM 0 HB2 ASP A 85 4.269 -14.687 -19.354 1.00 11.04 H new ATOM 0 HB3 ASP A 85 3.974 -16.253 -20.083 1.00 11.04 H new ATOM 1314 N GLY A 86 3.067 -16.269 -22.905 1.00 15.53 N ATOM 1315 CA GLY A 86 2.962 -17.261 -23.958 1.00 42.04 C ATOM 1316 C GLY A 86 2.354 -18.561 -23.472 1.00 21.41 C ATOM 1317 O GLY A 86 1.561 -19.184 -24.176 1.00 75.25 O ATOM 0 H GLY A 86 2.195 -16.072 -22.413 1.00 15.53 H new ATOM 0 HA2 GLY A 86 2.355 -16.861 -24.770 1.00 42.04 H new ATOM 0 HA3 GLY A 86 3.953 -17.458 -24.368 1.00 42.04 H new ATOM 1321 N GLU A 87 2.728 -18.973 -22.264 1.00 44.24 N ATOM 1322 CA GLU A 87 2.216 -20.209 -21.686 1.00 75.45 C ATOM 1323 C GLU A 87 0.855 -19.982 -21.034 1.00 51.21 C ATOM 1324 O GLU A 87 0.045 -20.901 -20.925 1.00 20.41 O ATOM 1325 CB GLU A 87 3.201 -20.764 -20.656 1.00 1.12 C ATOM 1326 CG GLU A 87 4.650 -20.713 -21.110 1.00 41.13 C ATOM 1327 CD GLU A 87 5.459 -21.897 -20.616 1.00 54.23 C ATOM 1328 OE1 GLU A 87 5.126 -23.041 -20.990 1.00 52.31 O ATOM 1329 OE2 GLU A 87 6.425 -21.678 -19.855 1.00 72.55 O ATOM 0 H GLU A 87 3.384 -18.468 -21.667 1.00 44.24 H new ATOM 0 HA GLU A 87 2.098 -20.934 -22.491 1.00 75.45 H new ATOM 0 HB2 GLU A 87 3.100 -20.200 -19.729 1.00 1.12 H new ATOM 0 HB3 GLU A 87 2.935 -21.797 -20.432 1.00 1.12 H new ATOM 0 HG2 GLU A 87 4.685 -20.683 -22.199 1.00 41.13 H new ATOM 0 HG3 GLU A 87 5.107 -19.791 -20.751 1.00 41.13 H new ATOM 1336 N GLY A 88 0.611 -18.748 -20.601 1.00 64.43 N ATOM 1337 CA GLY A 88 -0.651 -18.421 -19.964 1.00 60.44 C ATOM 1338 C GLY A 88 -0.488 -17.428 -18.831 1.00 55.12 C ATOM 1339 O GLY A 88 -1.468 -16.864 -18.346 1.00 53.12 O ATOM 0 H GLY A 88 1.265 -17.969 -20.680 1.00 64.43 H new ATOM 0 HA2 GLY A 88 -1.334 -18.010 -20.708 1.00 60.44 H new ATOM 0 HA3 GLY A 88 -1.108 -19.333 -19.581 1.00 60.44 H new ATOM 1343 N ASN A 89 0.753 -17.214 -18.407 1.00 32.52 N ATOM 1344 CA ASN A 89 1.040 -16.284 -17.321 1.00 41.24 C ATOM 1345 C ASN A 89 1.423 -14.912 -17.868 1.00 51.11 C ATOM 1346 O ASN A 89 1.988 -14.802 -18.956 1.00 40.12 O ATOM 1347 CB ASN A 89 2.167 -16.827 -16.441 1.00 3.01 C ATOM 1348 CG ASN A 89 3.496 -16.879 -17.170 1.00 22.23 C ATOM 1349 OD1 ASN A 89 4.254 -15.909 -17.173 1.00 55.40 O ATOM 1350 ND2 ASN A 89 3.785 -18.016 -17.792 1.00 62.11 N ATOM 0 H ASN A 89 1.576 -17.672 -18.799 1.00 32.52 H new ATOM 0 HA ASN A 89 0.138 -16.177 -16.719 1.00 41.24 H new ATOM 0 HB2 ASN A 89 2.266 -16.200 -15.555 1.00 3.01 H new ATOM 0 HB3 ASN A 89 1.905 -17.827 -16.096 1.00 3.01 H new ATOM 0 HD21 ASN A 89 4.665 -18.111 -18.299 1.00 62.11 H new ATOM 0 HD22 ASN A 89 3.127 -18.795 -17.763 1.00 62.11 H new ATOM 1357 N TRP A 90 1.112 -13.870 -17.106 1.00 12.21 N ATOM 1358 CA TRP A 90 1.424 -12.505 -17.514 1.00 13.43 C ATOM 1359 C TRP A 90 2.713 -12.022 -16.859 1.00 64.20 C ATOM 1360 O TRP A 90 3.159 -12.582 -15.856 1.00 44.34 O ATOM 1361 CB TRP A 90 0.271 -11.566 -17.151 1.00 64.44 C ATOM 1362 CG TRP A 90 -1.030 -11.952 -17.786 1.00 55.33 C ATOM 1363 CD1 TRP A 90 -1.892 -12.924 -17.364 1.00 52.52 C ATOM 1364 CD2 TRP A 90 -1.616 -11.374 -18.958 1.00 75.41 C ATOM 1365 NE1 TRP A 90 -2.979 -12.985 -18.203 1.00 63.12 N ATOM 1366 CE2 TRP A 90 -2.834 -12.044 -19.188 1.00 60.53 C ATOM 1367 CE3 TRP A 90 -1.233 -10.355 -19.834 1.00 24.41 C ATOM 1368 CZ2 TRP A 90 -3.667 -11.728 -20.258 1.00 42.23 C ATOM 1369 CZ3 TRP A 90 -2.060 -10.043 -20.895 1.00 50.54 C ATOM 1370 CH2 TRP A 90 -3.266 -10.726 -21.100 1.00 30.10 C ATOM 0 H TRP A 90 0.644 -13.944 -16.203 1.00 12.21 H new ATOM 0 HA TRP A 90 1.563 -12.499 -18.595 1.00 13.43 H new ATOM 0 HB2 TRP A 90 0.149 -11.553 -16.068 1.00 64.44 H new ATOM 0 HB3 TRP A 90 0.529 -10.551 -17.455 1.00 64.44 H new ATOM 0 HD1 TRP A 90 -1.742 -13.552 -16.498 1.00 52.52 H new ATOM 0 HE1 TRP A 90 -3.766 -13.627 -18.108 1.00 63.12 H new ATOM 0 HE3 TRP A 90 -0.306 -9.821 -19.684 1.00 24.41 H new ATOM 0 HZ2 TRP A 90 -4.596 -12.255 -20.418 1.00 42.23 H new ATOM 0 HZ3 TRP A 90 -1.772 -9.258 -21.579 1.00 50.54 H new ATOM 0 HH2 TRP A 90 -3.891 -10.457 -21.938 1.00 30.10 H new ATOM 1381 N LEU A 91 3.309 -10.981 -17.431 1.00 33.40 N ATOM 1382 CA LEU A 91 4.548 -10.423 -16.902 1.00 23.20 C ATOM 1383 C LEU A 91 4.556 -8.903 -17.022 1.00 51.35 C ATOM 1384 O LEU A 91 3.753 -8.325 -17.755 1.00 21.15 O ATOM 1385 CB LEU A 91 5.752 -11.011 -17.641 1.00 53.24 C ATOM 1386 CG LEU A 91 6.530 -12.097 -16.899 1.00 65.32 C ATOM 1387 CD1 LEU A 91 6.286 -13.457 -17.534 1.00 31.51 C ATOM 1388 CD2 LEU A 91 8.017 -11.773 -16.885 1.00 41.23 C ATOM 0 H LEU A 91 2.954 -10.507 -18.261 1.00 33.40 H new ATOM 0 HA LEU A 91 4.614 -10.686 -15.846 1.00 23.20 H new ATOM 0 HB2 LEU A 91 5.405 -11.424 -18.588 1.00 53.24 H new ATOM 0 HB3 LEU A 91 6.439 -10.199 -17.879 1.00 53.24 H new ATOM 0 HG LEU A 91 6.176 -12.131 -15.869 1.00 65.32 H new ATOM 0 HD11 LEU A 91 6.848 -14.218 -16.992 1.00 31.51 H new ATOM 0 HD12 LEU A 91 5.223 -13.693 -17.492 1.00 31.51 H new ATOM 0 HD13 LEU A 91 6.612 -13.437 -18.574 1.00 31.51 H new ATOM 0 HD21 LEU A 91 8.555 -12.557 -16.352 1.00 41.23 H new ATOM 0 HD22 LEU A 91 8.386 -11.711 -17.909 1.00 41.23 H new ATOM 0 HD23 LEU A 91 8.177 -10.818 -16.384 1.00 41.23 H new ATOM 1400 N GLU A 92 5.470 -8.261 -16.300 1.00 75.45 N ATOM 1401 CA GLU A 92 5.582 -6.808 -16.328 1.00 52.23 C ATOM 1402 C GLU A 92 6.267 -6.339 -17.609 1.00 73.50 C ATOM 1403 O GLU A 92 7.140 -7.022 -18.144 1.00 25.44 O ATOM 1404 CB GLU A 92 6.361 -6.311 -15.109 1.00 43.10 C ATOM 1405 CG GLU A 92 7.803 -6.790 -15.072 1.00 11.43 C ATOM 1406 CD GLU A 92 8.494 -6.457 -13.764 1.00 5.51 C ATOM 1407 OE1 GLU A 92 8.250 -5.355 -13.228 1.00 61.20 O ATOM 1408 OE2 GLU A 92 9.280 -7.296 -13.277 1.00 33.23 O ATOM 0 H GLU A 92 6.143 -8.724 -15.689 1.00 75.45 H new ATOM 0 HA GLU A 92 4.575 -6.391 -16.302 1.00 52.23 H new ATOM 0 HB2 GLU A 92 6.349 -5.221 -15.100 1.00 43.10 H new ATOM 0 HB3 GLU A 92 5.853 -6.643 -14.204 1.00 43.10 H new ATOM 0 HG2 GLU A 92 7.828 -7.869 -15.228 1.00 11.43 H new ATOM 0 HG3 GLU A 92 8.354 -6.336 -15.896 1.00 11.43 H new ATOM 1415 N ARG A 93 5.863 -5.171 -18.096 1.00 12.55 N ATOM 1416 CA ARG A 93 6.435 -4.611 -19.314 1.00 25.20 C ATOM 1417 C ARG A 93 6.605 -3.100 -19.191 1.00 53.30 C ATOM 1418 O ARG A 93 5.706 -2.322 -19.511 1.00 12.42 O ATOM 1419 CB ARG A 93 5.549 -4.940 -20.517 1.00 3.31 C ATOM 1420 CG ARG A 93 6.205 -5.876 -21.519 1.00 31.13 C ATOM 1421 CD ARG A 93 7.286 -5.167 -22.319 1.00 25.22 C ATOM 1422 NE ARG A 93 7.938 -6.062 -23.271 1.00 62.22 N ATOM 1423 CZ ARG A 93 8.855 -5.663 -24.146 1.00 20.23 C ATOM 1424 NH1 ARG A 93 9.227 -4.391 -24.188 1.00 34.23 N ATOM 1425 NH2 ARG A 93 9.403 -6.538 -24.980 1.00 54.41 N ATOM 0 H ARG A 93 5.141 -4.593 -17.665 1.00 12.55 H new ATOM 0 HA ARG A 93 7.418 -5.058 -19.463 1.00 25.20 H new ATOM 0 HB2 ARG A 93 4.623 -5.392 -20.162 1.00 3.31 H new ATOM 0 HB3 ARG A 93 5.278 -4.013 -21.022 1.00 3.31 H new ATOM 0 HG2 ARG A 93 6.639 -6.727 -20.994 1.00 31.13 H new ATOM 0 HG3 ARG A 93 5.449 -6.272 -22.198 1.00 31.13 H new ATOM 0 HD2 ARG A 93 6.847 -4.325 -22.855 1.00 25.22 H new ATOM 0 HD3 ARG A 93 8.032 -4.757 -21.637 1.00 25.22 H new ATOM 0 HE ARG A 93 7.675 -7.048 -23.264 1.00 62.22 H new ATOM 0 HH11 ARG A 93 8.809 -3.716 -23.548 1.00 34.23 H new ATOM 0 HH12 ARG A 93 9.931 -4.088 -24.861 1.00 34.23 H new ATOM 0 HH21 ARG A 93 9.120 -7.518 -24.950 1.00 54.41 H new ATOM 0 HH22 ARG A 93 10.107 -6.231 -25.651 1.00 54.41 H new ATOM 1439 N PRO A 94 7.784 -2.673 -18.716 1.00 42.21 N ATOM 1440 CA PRO A 94 8.099 -1.252 -18.540 1.00 2.02 C ATOM 1441 C PRO A 94 8.261 -0.525 -19.870 1.00 52.33 C ATOM 1442 O PRO A 94 9.288 -0.651 -20.536 1.00 44.54 O ATOM 1443 CB PRO A 94 9.427 -1.275 -17.778 1.00 52.22 C ATOM 1444 CG PRO A 94 10.044 -2.584 -18.132 1.00 11.22 C ATOM 1445 CD PRO A 94 8.901 -3.544 -18.315 1.00 24.20 C ATOM 0 HA PRO A 94 7.302 -0.719 -18.020 1.00 2.02 H new ATOM 0 HB2 PRO A 94 10.067 -0.443 -18.072 1.00 52.22 H new ATOM 0 HB3 PRO A 94 9.268 -1.190 -16.703 1.00 52.22 H new ATOM 0 HG2 PRO A 94 10.635 -2.503 -19.044 1.00 11.22 H new ATOM 0 HG3 PRO A 94 10.717 -2.924 -17.345 1.00 11.22 H new ATOM 0 HD2 PRO A 94 9.122 -4.291 -19.078 1.00 24.20 H new ATOM 0 HD3 PRO A 94 8.679 -4.084 -17.395 1.00 24.20 H new ATOM 1453 N ARG A 95 7.240 0.236 -20.251 1.00 50.32 N ATOM 1454 CA ARG A 95 7.269 0.983 -21.503 1.00 2.21 C ATOM 1455 C ARG A 95 7.224 2.486 -21.241 1.00 24.24 C ATOM 1456 O ARG A 95 6.514 2.949 -20.349 1.00 14.40 O ATOM 1457 CB ARG A 95 6.094 0.575 -22.393 1.00 33.13 C ATOM 1458 CG ARG A 95 6.370 -0.657 -23.240 1.00 2.52 C ATOM 1459 CD ARG A 95 6.956 -0.282 -24.592 1.00 73.24 C ATOM 1460 NE ARG A 95 5.989 0.422 -25.431 1.00 65.22 N ATOM 1461 CZ ARG A 95 6.195 0.701 -26.714 1.00 21.25 C ATOM 1462 NH1 ARG A 95 7.326 0.337 -27.301 1.00 64.24 N ATOM 1463 NH2 ARG A 95 5.268 1.345 -27.411 1.00 32.23 N ATOM 0 H ARG A 95 6.383 0.351 -19.711 1.00 50.32 H new ATOM 0 HA ARG A 95 8.202 0.748 -22.015 1.00 2.21 H new ATOM 0 HB2 ARG A 95 5.223 0.387 -21.766 1.00 33.13 H new ATOM 0 HB3 ARG A 95 5.840 1.407 -23.049 1.00 33.13 H new ATOM 0 HG2 ARG A 95 7.060 -1.315 -22.713 1.00 2.52 H new ATOM 0 HG3 ARG A 95 5.445 -1.215 -23.385 1.00 2.52 H new ATOM 0 HD2 ARG A 95 7.834 0.347 -24.445 1.00 73.24 H new ATOM 0 HD3 ARG A 95 7.292 -1.184 -25.104 1.00 73.24 H new ATOM 0 HE ARG A 95 5.108 0.715 -25.009 1.00 65.22 H new ATOM 0 HH11 ARG A 95 8.041 -0.158 -26.768 1.00 64.24 H new ATOM 0 HH12 ARG A 95 7.482 0.552 -28.286 1.00 64.24 H new ATOM 0 HH21 ARG A 95 4.396 1.626 -26.962 1.00 32.23 H new ATOM 0 HH22 ARG A 95 5.427 1.559 -28.396 1.00 32.23 H new ATOM 1477 N SER A 96 7.989 3.241 -22.023 1.00 72.10 N ATOM 1478 CA SER A 96 8.040 4.690 -21.873 1.00 11.53 C ATOM 1479 C SER A 96 7.364 5.383 -23.052 1.00 42.12 C ATOM 1480 O SER A 96 7.739 5.176 -24.207 1.00 62.11 O ATOM 1481 CB SER A 96 9.491 5.161 -21.753 1.00 53.21 C ATOM 1482 OG SER A 96 10.391 4.073 -21.869 1.00 0.00 O ATOM 0 H SER A 96 8.582 2.873 -22.767 1.00 72.10 H new ATOM 0 HA SER A 96 7.503 4.955 -20.962 1.00 11.53 H new ATOM 0 HB2 SER A 96 9.703 5.897 -22.529 1.00 53.21 H new ATOM 0 HB3 SER A 96 9.637 5.658 -20.794 1.00 53.21 H new ATOM 0 HG SER A 96 11.311 4.400 -21.791 1.00 0.00 H new ATOM 1488 N LEU A 97 6.366 6.207 -22.753 1.00 74.44 N ATOM 1489 CA LEU A 97 5.636 6.931 -23.788 1.00 52.30 C ATOM 1490 C LEU A 97 6.236 8.316 -24.010 1.00 24.32 C ATOM 1491 O LEU A 97 6.043 9.225 -23.203 1.00 2.55 O ATOM 1492 CB LEU A 97 4.160 7.058 -23.405 1.00 3.40 C ATOM 1493 CG LEU A 97 3.541 5.846 -22.709 1.00 53.00 C ATOM 1494 CD1 LEU A 97 2.048 6.053 -22.504 1.00 1.31 C ATOM 1495 CD2 LEU A 97 3.800 4.580 -23.512 1.00 74.24 C ATOM 0 H LEU A 97 6.044 6.391 -21.803 1.00 74.44 H new ATOM 0 HA LEU A 97 5.717 6.367 -24.717 1.00 52.30 H new ATOM 0 HB2 LEU A 97 4.048 7.923 -22.752 1.00 3.40 H new ATOM 0 HB3 LEU A 97 3.587 7.265 -24.309 1.00 3.40 H new ATOM 0 HG LEU A 97 4.009 5.734 -21.731 1.00 53.00 H new ATOM 0 HD11 LEU A 97 1.624 5.180 -22.007 1.00 1.31 H new ATOM 0 HD12 LEU A 97 1.885 6.937 -21.887 1.00 1.31 H new ATOM 0 HD13 LEU A 97 1.564 6.191 -23.471 1.00 1.31 H new ATOM 0 HD21 LEU A 97 3.352 3.727 -23.002 1.00 74.24 H new ATOM 0 HD22 LEU A 97 3.359 4.682 -24.504 1.00 74.24 H new ATOM 0 HD23 LEU A 97 4.874 4.423 -23.607 1.00 74.24 H new ATOM 1507 N THR A 98 6.965 8.470 -25.111 1.00 71.32 N ATOM 1508 CA THR A 98 7.593 9.743 -25.440 1.00 70.04 C ATOM 1509 C THR A 98 6.624 10.660 -26.178 1.00 71.42 C ATOM 1510 O THR A 98 5.652 10.198 -26.779 1.00 3.52 O ATOM 1511 CB THR A 98 8.851 9.542 -26.306 1.00 22.42 C ATOM 1512 OG1 THR A 98 8.507 8.865 -27.520 1.00 64.01 O ATOM 1513 CG2 THR A 98 9.903 8.741 -25.553 1.00 61.24 C ATOM 0 H THR A 98 7.135 7.728 -25.790 1.00 71.32 H new ATOM 0 HA THR A 98 7.880 10.206 -24.496 1.00 70.04 H new ATOM 0 HB THR A 98 9.264 10.523 -26.542 1.00 22.42 H new ATOM 0 HG1 THR A 98 9.312 8.743 -28.066 1.00 64.01 H new ATOM 0 HG21 THR A 98 10.782 8.611 -26.184 1.00 61.24 H new ATOM 0 HG22 THR A 98 10.184 9.273 -24.644 1.00 61.24 H new ATOM 0 HG23 THR A 98 9.498 7.764 -25.291 1.00 61.24 H new ATOM 1521 N LEU A 99 6.894 11.959 -26.130 1.00 53.42 N ATOM 1522 CA LEU A 99 6.045 12.942 -26.796 1.00 1.04 C ATOM 1523 C LEU A 99 5.808 12.559 -28.253 1.00 4.20 C ATOM 1524 O LEU A 99 6.752 12.290 -28.997 1.00 11.11 O ATOM 1525 CB LEU A 99 6.682 14.331 -26.718 1.00 71.31 C ATOM 1526 CG LEU A 99 5.771 15.461 -26.236 1.00 64.41 C ATOM 1527 CD1 LEU A 99 6.293 16.048 -24.934 1.00 43.21 C ATOM 1528 CD2 LEU A 99 5.653 16.541 -27.301 1.00 52.02 C ATOM 0 H LEU A 99 7.694 12.357 -25.637 1.00 53.42 H new ATOM 0 HA LEU A 99 5.083 12.961 -26.284 1.00 1.04 H new ATOM 0 HB2 LEU A 99 7.544 14.277 -26.052 1.00 71.31 H new ATOM 0 HB3 LEU A 99 7.059 14.592 -27.707 1.00 71.31 H new ATOM 0 HG LEU A 99 4.778 15.050 -26.053 1.00 64.41 H new ATOM 0 HD11 LEU A 99 5.632 16.851 -24.606 1.00 43.21 H new ATOM 0 HD12 LEU A 99 6.325 15.270 -24.171 1.00 43.21 H new ATOM 0 HD13 LEU A 99 7.296 16.445 -25.090 1.00 43.21 H new ATOM 0 HD21 LEU A 99 5.001 17.337 -26.941 1.00 52.02 H new ATOM 0 HD22 LEU A 99 6.640 16.950 -27.516 1.00 52.02 H new ATOM 0 HD23 LEU A 99 5.233 16.111 -28.210 1.00 52.02 H new