USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 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 75 SER OG : rot 180:sc= 0.0023 USER MOD Set 1.2: A 84 ASN : amide:sc= -0.306 X(o=-0.3,f=-0.57) USER MOD Single : A 23 THR OG1 : rot 19:sc= 0.281 USER MOD Single : A 26 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.91) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -41:sc= 1.24 USER MOD Single : A 67 ASN : amide:sc= -0.273 K(o=-0.27,f=-7.7!) USER MOD Single : A 70 ASN : amide:sc= -2.84 X(o=-2.8,f=-2.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.768 USER MOD Single : A 79 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.247 -4.703 -9.868 1.00 0.00 N ATOM 367 CA THR A 23 -4.872 -4.956 -8.476 1.00 0.00 C ATOM 368 C THR A 23 -5.131 -3.695 -7.631 1.00 0.00 C ATOM 369 O THR A 23 -4.495 -2.671 -7.846 1.00 0.00 O ATOM 370 CB THR A 23 -3.365 -5.370 -8.365 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.043 -6.302 -9.408 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.053 -6.015 -7.004 1.00 0.00 C ATOM 0 HA THR A 23 -5.480 -5.779 -8.101 1.00 0.00 H new ATOM 0 HB THR A 23 -2.764 -4.466 -8.463 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.716 -6.244 -10.118 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.999 -6.289 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.274 -5.306 -6.206 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.665 -6.908 -6.876 1.00 0.00 H new ATOM 380 N ARG A 24 -6.080 -3.775 -6.693 1.00 0.00 N ATOM 381 CA ARG A 24 -6.465 -2.635 -5.842 1.00 0.00 C ATOM 382 C ARG A 24 -5.930 -2.859 -4.422 1.00 0.00 C ATOM 383 O ARG A 24 -5.875 -4.005 -3.943 1.00 0.00 O ATOM 384 CB ARG A 24 -8.010 -2.468 -5.838 1.00 0.00 C ATOM 385 CG ARG A 24 -8.638 -2.280 -7.243 1.00 0.00 C ATOM 386 CD ARG A 24 -8.199 -0.980 -7.955 1.00 0.00 C ATOM 387 NE ARG A 24 -8.671 -0.954 -9.353 1.00 0.00 N ATOM 388 CZ ARG A 24 -8.781 0.138 -10.133 1.00 0.00 C ATOM 389 NH1 ARG A 24 -8.507 1.344 -9.665 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.187 0.009 -11.384 1.00 0.00 N ATOM 0 H ARG A 24 -6.604 -4.628 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.031 -1.717 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.457 -3.344 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.269 -1.608 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.371 -3.133 -7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.724 -2.282 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.594 -0.117 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.112 -0.899 -7.933 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.939 -1.847 -9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.206 1.459 -8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.596 2.159 -10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.415 -0.914 -11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.272 0.832 -11.980 1.00 0.00 H new ATOM 404 N ILE A 25 -5.530 -1.763 -3.758 1.00 0.00 N ATOM 405 CA ILE A 25 -4.957 -1.796 -2.410 1.00 0.00 C ATOM 406 C ILE A 25 -5.371 -0.530 -1.627 1.00 0.00 C ATOM 407 O ILE A 25 -5.390 0.569 -2.187 1.00 0.00 O ATOM 408 CB ILE A 25 -3.383 -1.906 -2.481 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.731 -1.935 -1.052 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.788 -0.761 -3.344 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.228 -2.171 -1.040 1.00 0.00 C ATOM 0 H ILE A 25 -5.597 -0.823 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.340 -2.673 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.144 -2.855 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.940 -0.988 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.212 -2.717 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.703 -0.858 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.190 -0.821 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.053 0.201 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.868 -2.175 -0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.007 -3.132 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.730 -1.376 -1.595 1.00 0.00 H new ATOM 423 N ASN A 26 -5.702 -0.693 -0.337 1.00 0.00 N ATOM 424 CA ASN A 26 -6.011 0.435 0.552 1.00 0.00 C ATOM 425 C ASN A 26 -4.695 0.877 1.181 1.00 0.00 C ATOM 426 O ASN A 26 -4.180 0.220 2.097 1.00 0.00 O ATOM 427 CB ASN A 26 -7.016 0.019 1.653 1.00 0.00 C ATOM 428 CG ASN A 26 -8.346 -0.467 1.102 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.283 0.307 0.910 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.446 -1.755 0.837 1.00 0.00 N ATOM 0 H ASN A 26 -5.763 -1.605 0.116 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.472 1.246 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.572 -0.770 2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.193 0.868 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.317 -2.133 0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.653 -2.374 1.006 1.00 0.00 H new ATOM 437 N VAL A 27 -4.140 1.963 0.653 1.00 0.00 N ATOM 438 CA VAL A 27 -2.866 2.513 1.103 1.00 0.00 C ATOM 439 C VAL A 27 -3.130 3.471 2.263 1.00 0.00 C ATOM 440 O VAL A 27 -3.742 4.526 2.075 1.00 0.00 O ATOM 441 CB VAL A 27 -2.130 3.266 -0.065 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.781 3.864 0.401 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.935 2.336 -1.280 1.00 0.00 C ATOM 0 H VAL A 27 -4.567 2.492 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.220 1.698 1.429 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.764 4.098 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.302 4.376 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.957 4.574 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.132 3.064 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.424 2.879 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.336 1.474 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.907 1.997 -1.639 1.00 0.00 H new ATOM 453 N VAL A 28 -2.716 3.064 3.462 1.00 0.00 N ATOM 454 CA VAL A 28 -2.862 3.851 4.684 1.00 0.00 C ATOM 455 C VAL A 28 -1.534 4.564 4.956 1.00 0.00 C ATOM 456 O VAL A 28 -0.565 3.943 5.404 1.00 0.00 O ATOM 457 CB VAL A 28 -3.267 2.939 5.909 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.466 3.764 7.201 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.532 2.105 5.583 1.00 0.00 C ATOM 0 H VAL A 28 -2.262 2.163 3.613 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.660 4.582 4.553 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.441 2.251 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.744 3.099 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.538 4.278 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.257 4.498 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.791 1.485 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.361 2.775 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.335 1.467 4.721 1.00 0.00 H new ATOM 469 N ASP A 29 -1.482 5.849 4.594 1.00 0.00 N ATOM 470 CA ASP A 29 -0.327 6.716 4.852 1.00 0.00 C ATOM 471 C ASP A 29 -0.115 6.805 6.384 1.00 0.00 C ATOM 472 O ASP A 29 -0.961 7.362 7.083 1.00 0.00 O ATOM 473 CB ASP A 29 -0.583 8.118 4.234 1.00 0.00 C ATOM 474 CG ASP A 29 0.675 8.984 4.059 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.386 9.217 5.040 1.00 0.00 O ATOM 476 OD2 ASP A 29 0.930 9.468 2.941 1.00 0.00 O ATOM 0 H ASP A 29 -2.246 6.321 4.110 1.00 0.00 H new ATOM 0 HA ASP A 29 0.574 6.308 4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.057 7.990 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.291 8.654 4.865 1.00 0.00 H new ATOM 481 N PRO A 30 0.999 6.238 6.930 1.00 0.00 N ATOM 482 CA PRO A 30 1.158 6.057 8.386 1.00 0.00 C ATOM 483 C PRO A 30 1.533 7.366 9.127 1.00 0.00 C ATOM 484 O PRO A 30 1.380 7.450 10.351 1.00 0.00 O ATOM 485 CB PRO A 30 2.269 4.986 8.470 1.00 0.00 C ATOM 486 CG PRO A 30 3.129 5.239 7.269 1.00 0.00 C ATOM 487 CD PRO A 30 2.197 5.755 6.182 1.00 0.00 C ATOM 0 HA PRO A 30 0.232 5.760 8.879 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.840 5.079 9.394 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.851 3.979 8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.907 5.969 7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.631 4.326 6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.660 6.558 5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.935 4.968 5.475 1.00 0.00 H new ATOM 495 N GLU A 31 2.023 8.380 8.380 1.00 0.00 N ATOM 496 CA GLU A 31 2.396 9.688 8.956 1.00 0.00 C ATOM 497 C GLU A 31 1.249 10.714 8.791 1.00 0.00 C ATOM 498 O GLU A 31 0.863 11.378 9.754 1.00 0.00 O ATOM 499 CB GLU A 31 3.720 10.217 8.330 1.00 0.00 C ATOM 500 CG GLU A 31 3.687 10.382 6.804 1.00 0.00 C ATOM 501 CD GLU A 31 4.992 10.886 6.194 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.242 12.108 6.214 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.778 10.062 5.685 1.00 0.00 O ATOM 0 H GLU A 31 2.169 8.315 7.373 1.00 0.00 H new ATOM 0 HA GLU A 31 2.566 9.549 10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.960 11.180 8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.528 9.533 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.437 9.422 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.887 11.075 6.543 1.00 0.00 H new ATOM 510 N THR A 32 0.704 10.821 7.565 1.00 0.00 N ATOM 511 CA THR A 32 -0.283 11.860 7.206 1.00 0.00 C ATOM 512 C THR A 32 -1.731 11.375 7.444 1.00 0.00 C ATOM 513 O THR A 32 -2.610 12.176 7.767 1.00 0.00 O ATOM 514 CB THR A 32 -0.109 12.306 5.710 1.00 0.00 C ATOM 515 OG1 THR A 32 1.288 12.381 5.377 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.765 13.681 5.435 1.00 0.00 C ATOM 0 H THR A 32 0.934 10.192 6.796 1.00 0.00 H new ATOM 0 HA THR A 32 -0.098 12.716 7.855 1.00 0.00 H new ATOM 0 HB THR A 32 -0.606 11.559 5.092 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.387 12.658 4.442 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.621 13.950 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.832 13.625 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.305 14.437 6.071 1.00 0.00 H new ATOM 524 N GLY A 33 -1.958 10.060 7.285 1.00 0.00 N ATOM 525 CA GLY A 33 -3.284 9.453 7.511 1.00 0.00 C ATOM 526 C GLY A 33 -4.121 9.303 6.246 1.00 0.00 C ATOM 527 O GLY A 33 -5.300 8.945 6.336 1.00 0.00 O ATOM 0 H GLY A 33 -1.239 9.394 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.150 8.471 7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.834 10.063 8.228 1.00 0.00 H new ATOM 531 N LYS A 34 -3.525 9.609 5.071 1.00 0.00 N ATOM 532 CA LYS A 34 -4.199 9.468 3.764 1.00 0.00 C ATOM 533 C LYS A 34 -4.537 7.989 3.477 1.00 0.00 C ATOM 534 O LYS A 34 -3.645 7.193 3.170 1.00 0.00 O ATOM 535 CB LYS A 34 -3.298 10.006 2.622 1.00 0.00 C ATOM 536 CG LYS A 34 -2.782 11.450 2.792 1.00 0.00 C ATOM 537 CD LYS A 34 -1.841 11.863 1.628 1.00 0.00 C ATOM 538 CE LYS A 34 -1.356 13.320 1.726 1.00 0.00 C ATOM 539 NZ LYS A 34 -0.419 13.679 0.628 1.00 0.00 N ATOM 0 H LYS A 34 -2.569 9.958 5.004 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.121 10.049 3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.438 9.343 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.856 9.948 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.628 12.136 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.250 11.537 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.976 11.199 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.363 11.724 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.216 13.989 1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.863 13.472 2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.120 14.669 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.415 13.059 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.896 13.560 -0.288 1.00 0.00 H new ATOM 553 N VAL A 35 -5.825 7.637 3.574 1.00 0.00 N ATOM 554 CA VAL A 35 -6.318 6.286 3.246 1.00 0.00 C ATOM 555 C VAL A 35 -7.018 6.345 1.878 1.00 0.00 C ATOM 556 O VAL A 35 -8.114 6.908 1.754 1.00 0.00 O ATOM 557 CB VAL A 35 -7.290 5.729 4.359 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.774 4.293 4.030 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.612 5.769 5.751 1.00 0.00 C ATOM 0 H VAL A 35 -6.557 8.277 3.881 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.474 5.597 3.203 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.167 6.377 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.441 3.944 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.308 4.298 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.914 3.626 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.300 5.381 6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.710 5.157 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.348 6.797 5.998 1.00 0.00 H new ATOM 569 N GLU A 36 -6.355 5.787 0.853 1.00 0.00 N ATOM 570 CA GLU A 36 -6.801 5.863 -0.549 1.00 0.00 C ATOM 571 C GLU A 36 -6.600 4.509 -1.231 1.00 0.00 C ATOM 572 O GLU A 36 -5.573 3.858 -1.025 1.00 0.00 O ATOM 573 CB GLU A 36 -5.998 6.960 -1.304 1.00 0.00 C ATOM 574 CG GLU A 36 -6.340 7.120 -2.804 1.00 0.00 C ATOM 575 CD GLU A 36 -7.797 7.544 -3.062 1.00 0.00 C ATOM 576 OE1 GLU A 36 -8.082 8.757 -3.062 1.00 0.00 O ATOM 577 OE2 GLU A 36 -8.670 6.667 -3.247 1.00 0.00 O ATOM 0 H GLU A 36 -5.487 5.266 0.974 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.860 6.121 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.165 7.915 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.935 6.735 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.672 7.860 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.149 6.176 -3.314 1.00 0.00 H new ATOM 584 N ILE A 37 -7.580 4.110 -2.056 1.00 0.00 N ATOM 585 CA ILE A 37 -7.506 2.875 -2.833 1.00 0.00 C ATOM 586 C ILE A 37 -6.700 3.160 -4.113 1.00 0.00 C ATOM 587 O ILE A 37 -7.199 3.786 -5.053 1.00 0.00 O ATOM 588 CB ILE A 37 -8.930 2.292 -3.177 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.791 2.163 -1.872 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.810 0.920 -3.910 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.215 1.694 -2.090 1.00 0.00 C ATOM 0 H ILE A 37 -8.442 4.637 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.009 2.112 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.433 2.983 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.295 1.468 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.816 3.132 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.806 0.540 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.253 1.051 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.287 0.210 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.730 1.636 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.735 2.399 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.206 0.709 -2.557 1.00 0.00 H new ATOM 603 N ALA A 38 -5.432 2.757 -4.091 1.00 0.00 N ATOM 604 CA ALA A 38 -4.518 2.865 -5.233 1.00 0.00 C ATOM 605 C ALA A 38 -4.470 1.535 -5.997 1.00 0.00 C ATOM 606 O ALA A 38 -5.055 0.534 -5.561 1.00 0.00 O ATOM 607 CB ALA A 38 -3.126 3.283 -4.742 1.00 0.00 C ATOM 0 H ALA A 38 -5.000 2.339 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.879 3.630 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.449 3.362 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.192 4.248 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.747 2.536 -4.045 1.00 0.00 H new ATOM 613 N GLU A 39 -3.782 1.535 -7.144 1.00 0.00 N ATOM 614 CA GLU A 39 -3.560 0.316 -7.946 1.00 0.00 C ATOM 615 C GLU A 39 -2.099 -0.093 -7.800 1.00 0.00 C ATOM 616 O GLU A 39 -1.218 0.767 -7.905 1.00 0.00 O ATOM 617 CB GLU A 39 -3.866 0.521 -9.455 1.00 0.00 C ATOM 618 CG GLU A 39 -5.308 0.952 -9.786 1.00 0.00 C ATOM 619 CD GLU A 39 -5.541 2.466 -9.654 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.185 3.196 -10.601 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.084 2.928 -8.628 1.00 0.00 O ATOM 0 H GLU A 39 -3.363 2.374 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.240 -0.451 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.181 1.273 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.654 -0.410 -9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.547 0.643 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.997 0.427 -9.124 1.00 0.00 H new ATOM 628 N ILE A 40 -1.837 -1.393 -7.574 1.00 0.00 N ATOM 629 CA ILE A 40 -0.467 -1.906 -7.565 1.00 0.00 C ATOM 630 C ILE A 40 0.014 -1.996 -9.029 1.00 0.00 C ATOM 631 O ILE A 40 -0.480 -2.813 -9.823 1.00 0.00 O ATOM 632 CB ILE A 40 -0.356 -3.287 -6.818 1.00 0.00 C ATOM 633 CG1 ILE A 40 -0.766 -3.103 -5.315 1.00 0.00 C ATOM 634 CG2 ILE A 40 1.068 -3.893 -6.948 1.00 0.00 C ATOM 635 CD1 ILE A 40 -0.680 -4.343 -4.449 1.00 0.00 C ATOM 0 H ILE A 40 -2.553 -2.097 -7.397 1.00 0.00 H new ATOM 0 HA ILE A 40 0.177 -1.226 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.041 -3.994 -7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.131 -2.333 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.790 -2.730 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.107 -4.846 -6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.301 -4.051 -8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.796 -3.208 -6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.986 -4.098 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.338 -5.114 -4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.346 -4.710 -4.441 1.00 0.00 H new ATOM 647 N ARG A 41 0.958 -1.111 -9.364 1.00 0.00 N ATOM 648 CA ARG A 41 1.471 -0.914 -10.723 1.00 0.00 C ATOM 649 C ARG A 41 2.535 -1.964 -11.044 1.00 0.00 C ATOM 650 O ARG A 41 2.512 -2.595 -12.101 1.00 0.00 O ATOM 651 CB ARG A 41 2.043 0.526 -10.842 1.00 0.00 C ATOM 652 CG ARG A 41 0.992 1.637 -10.598 1.00 0.00 C ATOM 653 CD ARG A 41 -0.155 1.578 -11.618 1.00 0.00 C ATOM 654 NE ARG A 41 -1.227 2.544 -11.322 1.00 0.00 N ATOM 655 CZ ARG A 41 -1.688 3.483 -12.167 1.00 0.00 C ATOM 656 NH1 ARG A 41 -1.087 3.714 -13.329 1.00 0.00 N ATOM 657 NH2 ARG A 41 -2.750 4.196 -11.833 1.00 0.00 N ATOM 0 H ARG A 41 1.398 -0.496 -8.679 1.00 0.00 H new ATOM 0 HA ARG A 41 0.664 -1.033 -11.447 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.856 0.644 -10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.472 0.656 -11.836 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.587 1.538 -9.591 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.476 2.612 -10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.240 1.773 -12.615 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.572 0.571 -11.632 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.656 2.497 -10.398 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.262 3.175 -13.593 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.451 4.430 -13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.214 4.032 -10.940 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.105 4.910 -12.469 1.00 0.00 H new ATOM 671 N ASN A 42 3.473 -2.131 -10.116 1.00 0.00 N ATOM 672 CA ASN A 42 4.530 -3.159 -10.190 1.00 0.00 C ATOM 673 C ASN A 42 4.663 -3.814 -8.819 1.00 0.00 C ATOM 674 O ASN A 42 4.337 -3.200 -7.807 1.00 0.00 O ATOM 675 CB ASN A 42 5.887 -2.534 -10.630 1.00 0.00 C ATOM 676 CG ASN A 42 5.915 -2.099 -12.105 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.308 -2.866 -12.983 1.00 0.00 O ATOM 678 ND2 ASN A 42 5.482 -0.885 -12.387 1.00 0.00 N ATOM 0 H ASN A 42 3.529 -1.553 -9.277 1.00 0.00 H new ATOM 0 HA ASN A 42 4.259 -3.906 -10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.100 -1.670 -10.001 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.684 -3.258 -10.458 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.467 -0.561 -13.354 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.162 -0.271 -11.638 1.00 0.00 H new ATOM 685 N VAL A 43 5.134 -5.067 -8.792 1.00 0.00 N ATOM 686 CA VAL A 43 5.448 -5.790 -7.540 1.00 0.00 C ATOM 687 C VAL A 43 6.984 -5.931 -7.472 1.00 0.00 C ATOM 688 O VAL A 43 7.546 -6.985 -7.132 1.00 0.00 O ATOM 689 CB VAL A 43 4.695 -7.185 -7.473 1.00 0.00 C ATOM 690 CG1 VAL A 43 4.809 -7.853 -6.075 1.00 0.00 C ATOM 691 CG2 VAL A 43 3.208 -7.019 -7.866 1.00 0.00 C ATOM 0 H VAL A 43 5.310 -5.614 -9.635 1.00 0.00 H new ATOM 0 HA VAL A 43 5.095 -5.238 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 43 5.185 -7.845 -8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.277 -8.804 -6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.859 -8.026 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.371 -7.198 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.708 -7.986 -7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.726 -6.324 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.141 -6.630 -8.882 1.00 0.00 H new ATOM 914 N ILE A 57 2.216 -12.309 -7.410 1.00 0.00 N ATOM 915 CA ILE A 57 2.447 -13.045 -6.158 1.00 0.00 C ATOM 916 C ILE A 57 2.830 -12.013 -5.078 1.00 0.00 C ATOM 917 O ILE A 57 4.009 -11.689 -4.867 1.00 0.00 O ATOM 918 CB ILE A 57 3.543 -14.166 -6.319 1.00 0.00 C ATOM 919 CG1 ILE A 57 3.124 -15.162 -7.452 1.00 0.00 C ATOM 920 CG2 ILE A 57 3.795 -14.916 -4.980 1.00 0.00 C ATOM 921 CD1 ILE A 57 4.134 -16.254 -7.770 1.00 0.00 C ATOM 0 HA ILE A 57 1.540 -13.574 -5.866 1.00 0.00 H new ATOM 0 HB ILE A 57 4.482 -13.689 -6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.183 -15.633 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.933 -14.592 -8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.556 -15.681 -5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.136 -14.208 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.870 -15.385 -4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.746 -16.888 -8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.072 -15.800 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.309 -16.858 -6.880 1.00 0.00 H new ATOM 933 N ILE A 58 1.785 -11.439 -4.480 1.00 0.00 N ATOM 934 CA ILE A 58 1.873 -10.353 -3.500 1.00 0.00 C ATOM 935 C ILE A 58 1.655 -10.930 -2.097 1.00 0.00 C ATOM 936 O ILE A 58 0.592 -11.468 -1.808 1.00 0.00 O ATOM 937 CB ILE A 58 0.788 -9.261 -3.842 1.00 0.00 C ATOM 938 CG1 ILE A 58 1.026 -8.725 -5.297 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.775 -8.107 -2.807 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.001 -7.736 -5.805 1.00 0.00 C ATOM 0 H ILE A 58 0.824 -11.725 -4.669 1.00 0.00 H new ATOM 0 HA ILE A 58 2.856 -9.884 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.196 -9.727 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.009 -8.255 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.053 -9.575 -5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.012 -7.379 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.553 -8.508 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.751 -7.622 -2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.261 -7.431 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.984 -8.202 -5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.014 -6.861 -5.155 1.00 0.00 H new ATOM 952 N THR A 59 2.686 -10.848 -1.247 1.00 0.00 N ATOM 953 CA THR A 59 2.672 -11.421 0.111 1.00 0.00 C ATOM 954 C THR A 59 2.821 -10.321 1.166 1.00 0.00 C ATOM 955 O THR A 59 3.239 -9.206 0.847 1.00 0.00 O ATOM 956 CB THR A 59 3.825 -12.468 0.263 1.00 0.00 C ATOM 957 OG1 THR A 59 5.081 -11.869 -0.115 1.00 0.00 O ATOM 958 CG2 THR A 59 3.576 -13.718 -0.602 1.00 0.00 C ATOM 0 H THR A 59 3.561 -10.379 -1.481 1.00 0.00 H new ATOM 0 HA THR A 59 1.714 -11.918 0.265 1.00 0.00 H new ATOM 0 HB THR A 59 3.856 -12.778 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.800 -12.527 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.398 -14.422 -0.470 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.642 -14.190 -0.299 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.512 -13.428 -1.651 1.00 0.00 H new ATOM 966 N ARG A 60 2.473 -10.644 2.427 1.00 0.00 N ATOM 967 CA ARG A 60 2.628 -9.720 3.564 1.00 0.00 C ATOM 968 C ARG A 60 4.127 -9.468 3.844 1.00 0.00 C ATOM 969 O ARG A 60 4.930 -10.411 3.850 1.00 0.00 O ATOM 970 CB ARG A 60 1.921 -10.276 4.830 1.00 0.00 C ATOM 971 CG ARG A 60 1.970 -9.317 6.043 1.00 0.00 C ATOM 972 CD ARG A 60 1.347 -9.919 7.303 1.00 0.00 C ATOM 973 NE ARG A 60 2.066 -11.124 7.760 1.00 0.00 N ATOM 974 CZ ARG A 60 1.628 -11.976 8.705 1.00 0.00 C ATOM 975 NH1 ARG A 60 0.460 -11.787 9.319 1.00 0.00 N ATOM 976 NH2 ARG A 60 2.368 -13.016 9.040 1.00 0.00 N ATOM 0 H ARG A 60 2.078 -11.549 2.684 1.00 0.00 H new ATOM 0 HA ARG A 60 2.156 -8.772 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.880 -10.490 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.385 -11.223 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.007 -9.051 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.448 -8.394 5.791 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.348 -9.174 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.305 -10.173 7.106 1.00 0.00 H new ATOM 0 HE ARG A 60 2.966 -11.327 7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.120 -10.984 9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.147 -12.445 10.033 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.267 -13.171 8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.041 -13.665 9.756 1.00 0.00 H new ATOM 990 N GLY A 61 4.478 -8.191 4.072 1.00 0.00 N ATOM 991 CA GLY A 61 5.864 -7.766 4.266 1.00 0.00 C ATOM 992 C GLY A 61 6.580 -7.425 2.974 1.00 0.00 C ATOM 993 O GLY A 61 7.738 -7.009 3.010 1.00 0.00 O ATOM 0 H GLY A 61 3.804 -7.428 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.880 -6.895 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.411 -8.559 4.776 1.00 0.00 H new ATOM 997 N ALA A 62 5.901 -7.606 1.826 1.00 0.00 N ATOM 998 CA ALA A 62 6.473 -7.298 0.503 1.00 0.00 C ATOM 999 C ALA A 62 6.348 -5.801 0.192 1.00 0.00 C ATOM 1000 O ALA A 62 5.378 -5.152 0.609 1.00 0.00 O ATOM 1001 CB ALA A 62 5.779 -8.123 -0.588 1.00 0.00 C ATOM 0 H ALA A 62 4.948 -7.967 1.789 1.00 0.00 H new ATOM 0 HA ALA A 62 7.531 -7.561 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.214 -7.883 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.914 -9.185 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.715 -7.889 -0.600 1.00 0.00 H new ATOM 1007 N VAL A 63 7.346 -5.260 -0.520 1.00 0.00 N ATOM 1008 CA VAL A 63 7.308 -3.897 -1.046 1.00 0.00 C ATOM 1009 C VAL A 63 6.685 -3.939 -2.455 1.00 0.00 C ATOM 1010 O VAL A 63 7.264 -4.503 -3.393 1.00 0.00 O ATOM 1011 CB VAL A 63 8.745 -3.257 -1.122 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.700 -1.797 -1.622 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.479 -3.351 0.235 1.00 0.00 C ATOM 0 H VAL A 63 8.205 -5.762 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 63 6.712 -3.280 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 63 9.310 -3.837 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.712 -1.394 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.261 -1.767 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.096 -1.198 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.467 -2.900 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.906 -2.822 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.582 -4.398 0.521 1.00 0.00 H new ATOM 1023 N VAL A 64 5.495 -3.367 -2.580 1.00 0.00 N ATOM 1024 CA VAL A 64 4.808 -3.205 -3.867 1.00 0.00 C ATOM 1025 C VAL A 64 4.853 -1.729 -4.269 1.00 0.00 C ATOM 1026 O VAL A 64 5.083 -0.872 -3.426 1.00 0.00 O ATOM 1027 CB VAL A 64 3.320 -3.707 -3.799 1.00 0.00 C ATOM 1028 CG1 VAL A 64 3.252 -5.236 -3.577 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.509 -2.952 -2.707 1.00 0.00 C ATOM 0 H VAL A 64 4.970 -2.997 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 64 5.319 -3.813 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 64 2.862 -3.486 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.210 -5.551 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.752 -5.746 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.746 -5.490 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.485 -3.326 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.971 -3.114 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.502 -1.885 -2.932 1.00 0.00 H new ATOM 1039 N GLU A 65 4.667 -1.446 -5.554 1.00 0.00 N ATOM 1040 CA GLU A 65 4.532 -0.070 -6.070 1.00 0.00 C ATOM 1041 C GLU A 65 3.052 0.221 -6.352 1.00 0.00 C ATOM 1042 O GLU A 65 2.356 -0.631 -6.899 1.00 0.00 O ATOM 1043 CB GLU A 65 5.353 0.106 -7.368 1.00 0.00 C ATOM 1044 CG GLU A 65 5.219 1.508 -8.000 1.00 0.00 C ATOM 1045 CD GLU A 65 5.928 1.625 -9.347 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.125 1.947 -9.364 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.293 1.387 -10.396 1.00 0.00 O ATOM 0 H GLU A 65 4.604 -2.162 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 65 4.911 0.627 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.404 -0.087 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.034 -0.642 -8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.162 1.742 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.628 2.250 -7.315 1.00 0.00 H new ATOM 1054 N THR A 66 2.582 1.424 -5.979 1.00 0.00 N ATOM 1055 CA THR A 66 1.186 1.852 -6.190 1.00 0.00 C ATOM 1056 C THR A 66 1.160 3.274 -6.778 1.00 0.00 C ATOM 1057 O THR A 66 2.219 3.844 -7.089 1.00 0.00 O ATOM 1058 CB THR A 66 0.358 1.809 -4.851 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.800 2.846 -3.951 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.461 0.439 -4.142 1.00 0.00 C ATOM 0 H THR A 66 3.160 2.129 -5.522 1.00 0.00 H new ATOM 0 HA THR A 66 0.723 1.157 -6.891 1.00 0.00 H new ATOM 0 HB THR A 66 -0.686 1.971 -5.121 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.778 2.903 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.127 0.459 -3.224 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.079 -0.341 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.504 0.232 -3.901 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.058 3.835 -6.936 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.268 5.228 -7.395 1.00 0.00 C ATOM 1070 C ASN A 67 0.374 6.252 -6.437 1.00 0.00 C ATOM 1071 O ASN A 67 0.732 7.357 -6.852 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.783 5.547 -7.515 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.540 4.689 -8.530 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.215 3.532 -8.774 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.567 5.257 -9.127 1.00 0.00 N ATOM 0 H ASN A 67 -0.927 3.334 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 67 0.210 5.309 -8.371 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.245 5.420 -6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.899 6.596 -7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.113 4.733 -9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.816 6.221 -8.906 1.00 0.00 H new ATOM 1082 N LEU A 68 0.502 5.875 -5.154 1.00 0.00 N ATOM 1083 CA LEU A 68 1.014 6.768 -4.094 1.00 0.00 C ATOM 1084 C LEU A 68 2.495 6.473 -3.785 1.00 0.00 C ATOM 1085 O LEU A 68 3.101 7.146 -2.944 1.00 0.00 O ATOM 1086 CB LEU A 68 0.120 6.604 -2.836 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.405 6.880 -3.079 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.251 6.589 -1.830 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.644 8.326 -3.577 1.00 0.00 C ATOM 0 H LEU A 68 0.254 4.944 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 68 0.970 7.804 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.236 5.590 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.479 7.280 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.728 6.192 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.300 6.794 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.136 5.542 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.918 7.224 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.711 8.485 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.279 9.033 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.111 8.481 -4.515 1.00 0.00 H new ATOM 1101 N GLY A 69 3.067 5.474 -4.493 1.00 0.00 N ATOM 1102 CA GLY A 69 4.454 5.041 -4.299 1.00 0.00 C ATOM 1103 C GLY A 69 4.528 3.643 -3.703 1.00 0.00 C ATOM 1104 O GLY A 69 3.553 2.893 -3.760 1.00 0.00 O ATOM 0 H GLY A 69 2.573 4.949 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.978 5.057 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.967 5.744 -3.643 1.00 0.00 H new ATOM 1108 N ASN A 70 5.684 3.282 -3.134 1.00 0.00 N ATOM 1109 CA ASN A 70 5.899 1.941 -2.554 1.00 0.00 C ATOM 1110 C ASN A 70 5.150 1.775 -1.219 1.00 0.00 C ATOM 1111 O ASN A 70 5.115 2.697 -0.412 1.00 0.00 O ATOM 1112 CB ASN A 70 7.406 1.649 -2.385 1.00 0.00 C ATOM 1113 CG ASN A 70 8.133 1.584 -3.731 1.00 0.00 C ATOM 1114 OD1 ASN A 70 8.603 2.597 -4.239 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.208 0.398 -4.334 1.00 0.00 N ATOM 0 H ASN A 70 6.492 3.900 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 70 5.488 1.211 -3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.858 2.424 -1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.535 0.704 -1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.665 0.316 -5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.808 -0.427 -3.888 1.00 0.00 H new ATOM 1122 N VAL A 71 4.526 0.592 -1.026 1.00 0.00 N ATOM 1123 CA VAL A 71 3.701 0.256 0.157 1.00 0.00 C ATOM 1124 C VAL A 71 4.137 -1.112 0.740 1.00 0.00 C ATOM 1125 O VAL A 71 4.566 -2.000 -0.009 1.00 0.00 O ATOM 1126 CB VAL A 71 2.171 0.199 -0.265 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.234 -0.193 0.898 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.714 1.532 -0.893 1.00 0.00 C ATOM 0 H VAL A 71 4.582 -0.171 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 71 3.839 1.022 0.920 1.00 0.00 H new ATOM 0 HB VAL A 71 2.097 -0.591 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.203 -0.214 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.510 -1.180 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.327 0.537 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.663 1.461 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.845 2.338 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.311 1.740 -1.781 1.00 0.00 H new ATOM 1138 N ARG A 72 4.045 -1.261 2.082 1.00 0.00 N ATOM 1139 CA ARG A 72 4.163 -2.571 2.752 1.00 0.00 C ATOM 1140 C ARG A 72 2.792 -3.220 2.735 1.00 0.00 C ATOM 1141 O ARG A 72 1.828 -2.604 3.182 1.00 0.00 O ATOM 1142 CB ARG A 72 4.630 -2.466 4.239 1.00 0.00 C ATOM 1143 CG ARG A 72 6.111 -2.145 4.446 1.00 0.00 C ATOM 1144 CD ARG A 72 7.057 -3.234 3.925 1.00 0.00 C ATOM 1145 NE ARG A 72 8.461 -2.824 4.087 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.537 -3.550 3.762 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.425 -4.796 3.321 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.735 -3.015 3.897 1.00 0.00 N ATOM 0 H ARG A 72 3.888 -0.483 2.723 1.00 0.00 H new ATOM 0 HA ARG A 72 4.916 -3.150 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.037 -1.696 4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.408 -3.409 4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.343 -1.205 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.296 -1.994 5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.880 -4.165 4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.849 -3.430 2.873 1.00 0.00 H new ATOM 0 HE ARG A 72 8.630 -1.900 4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.503 -5.221 3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.261 -5.329 3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.831 -2.061 4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.565 -3.555 3.654 1.00 0.00 H new ATOM 1162 N VAL A 73 2.711 -4.445 2.236 1.00 0.00 N ATOM 1163 CA VAL A 73 1.482 -5.236 2.304 1.00 0.00 C ATOM 1164 C VAL A 73 1.308 -5.709 3.764 1.00 0.00 C ATOM 1165 O VAL A 73 2.114 -6.503 4.253 1.00 0.00 O ATOM 1166 CB VAL A 73 1.552 -6.461 1.321 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.228 -7.258 1.293 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.950 -5.997 -0.096 1.00 0.00 C ATOM 0 H VAL A 73 3.487 -4.920 1.775 1.00 0.00 H new ATOM 0 HA VAL A 73 0.627 -4.632 2.001 1.00 0.00 H new ATOM 0 HB VAL A 73 2.322 -7.136 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.322 -8.095 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.010 -7.636 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.582 -6.606 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.993 -6.859 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.211 -5.288 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.928 -5.517 -0.060 1.00 0.00 H new ATOM 1178 N THR A 74 0.287 -5.188 4.466 1.00 0.00 N ATOM 1179 CA THR A 74 0.081 -5.486 5.902 1.00 0.00 C ATOM 1180 C THR A 74 -0.918 -6.640 6.058 1.00 0.00 C ATOM 1181 O THR A 74 -0.946 -7.323 7.089 1.00 0.00 O ATOM 1182 CB THR A 74 -0.434 -4.235 6.674 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.668 -3.779 6.099 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.599 -3.092 6.669 1.00 0.00 C ATOM 0 H THR A 74 -0.410 -4.559 4.067 1.00 0.00 H new ATOM 0 HA THR A 74 1.043 -5.774 6.327 1.00 0.00 H new ATOM 0 HB THR A 74 -0.597 -4.530 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.987 -2.993 6.590 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.200 -2.239 7.218 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.519 -3.431 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.809 -2.796 5.641 1.00 0.00 H new ATOM 1192 N SER A 75 -1.731 -6.839 5.010 1.00 0.00 N ATOM 1193 CA SER A 75 -2.768 -7.878 4.948 1.00 0.00 C ATOM 1194 C SER A 75 -2.344 -9.011 3.990 1.00 0.00 C ATOM 1195 O SER A 75 -1.188 -9.083 3.564 1.00 0.00 O ATOM 1196 CB SER A 75 -4.084 -7.216 4.478 1.00 0.00 C ATOM 1197 OG SER A 75 -5.191 -8.099 4.547 1.00 0.00 O ATOM 0 H SER A 75 -1.684 -6.270 4.165 1.00 0.00 H new ATOM 0 HA SER A 75 -2.912 -8.325 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.285 -6.338 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.965 -6.867 3.452 1.00 0.00 H new ATOM 0 HG SER A 75 -5.999 -7.635 4.242 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.283 -9.928 3.709 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.148 -10.940 2.656 1.00 0.00 C ATOM 1205 C ARG A 76 -4.161 -10.594 1.539 1.00 0.00 C ATOM 1206 O ARG A 76 -5.301 -10.216 1.855 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.430 -12.376 3.204 1.00 0.00 C ATOM 1208 CG ARG A 76 -2.402 -12.922 4.232 1.00 0.00 C ATOM 1209 CD ARG A 76 -2.523 -12.297 5.635 1.00 0.00 C ATOM 1210 NE ARG A 76 -3.801 -12.640 6.291 1.00 0.00 N ATOM 1211 CZ ARG A 76 -4.069 -12.482 7.600 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -3.164 -11.984 8.425 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -5.249 -12.831 8.079 1.00 0.00 N ATOM 0 H ARG A 76 -4.167 -9.986 4.214 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.127 -10.934 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.416 -12.380 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.472 -13.065 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.526 -14.002 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.396 -12.745 3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.695 -12.639 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.436 -11.213 5.557 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.540 -13.028 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.246 -11.713 8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.383 -11.871 9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.957 -13.220 7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.452 -12.711 9.071 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.767 -10.674 0.225 1.00 0.00 N ATOM 1228 CA PRO A 77 -4.715 -10.500 -0.904 1.00 0.00 C ATOM 1229 C PRO A 77 -5.848 -11.554 -0.855 1.00 0.00 C ATOM 1230 O PRO A 77 -5.624 -12.736 -1.146 1.00 0.00 O ATOM 1231 CB PRO A 77 -3.820 -10.653 -2.171 1.00 0.00 C ATOM 1232 CG PRO A 77 -2.585 -11.359 -1.690 1.00 0.00 C ATOM 1233 CD PRO A 77 -2.378 -10.903 -0.262 1.00 0.00 C ATOM 0 HA PRO A 77 -5.230 -9.540 -0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.327 -11.228 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.577 -9.682 -2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.708 -12.441 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.724 -11.107 -2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.862 -11.658 0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.778 -9.994 -0.212 1.00 0.00 H new ATOM 1241 N GLY A 78 -7.041 -11.118 -0.421 1.00 0.00 N ATOM 1242 CA GLY A 78 -8.202 -12.003 -0.287 1.00 0.00 C ATOM 1243 C GLY A 78 -8.893 -11.896 1.066 1.00 0.00 C ATOM 1244 O GLY A 78 -9.943 -12.518 1.255 1.00 0.00 O ATOM 0 H GLY A 78 -7.224 -10.150 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.920 -11.769 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.883 -13.034 -0.443 1.00 0.00 H new ATOM 1248 N GLN A 79 -8.311 -11.122 2.016 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.920 -10.900 3.352 1.00 0.00 C ATOM 1250 C GLN A 79 -10.217 -10.079 3.224 1.00 0.00 C ATOM 1251 O GLN A 79 -11.323 -10.615 3.350 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.909 -10.214 4.311 1.00 0.00 C ATOM 1253 CG GLN A 79 -6.735 -11.113 4.738 1.00 0.00 C ATOM 1254 CD GLN A 79 -7.163 -12.375 5.503 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -6.529 -13.426 5.389 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -8.193 -12.278 6.334 1.00 0.00 N ATOM 0 H GLN A 79 -7.421 -10.641 1.882 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.177 -11.869 3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.512 -9.323 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.440 -9.881 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.176 -11.410 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.056 -10.534 5.363 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.704 -11.399 6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.474 -13.083 6.894 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.072 -8.781 2.915 1.00 0.00 N ATOM 1266 CA ASP A 80 -11.213 -7.891 2.607 1.00 0.00 C ATOM 1267 C ASP A 80 -11.509 -7.945 1.099 1.00 0.00 C ATOM 1268 O ASP A 80 -12.062 -6.996 0.537 1.00 0.00 O ATOM 1269 CB ASP A 80 -10.873 -6.435 3.044 1.00 0.00 C ATOM 1270 CG ASP A 80 -10.709 -6.284 4.565 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -9.600 -6.543 5.083 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -11.689 -5.912 5.251 1.00 0.00 O ATOM 0 H ASP A 80 -9.165 -8.316 2.870 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.097 -8.221 3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.952 -6.120 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.662 -5.766 2.702 1.00 0.00 H new ATOM 1277 N GLY A 81 -11.239 -9.114 0.469 1.00 0.00 N ATOM 1278 CA GLY A 81 -11.059 -9.208 -0.982 1.00 0.00 C ATOM 1279 C GLY A 81 -9.826 -8.427 -1.430 1.00 0.00 C ATOM 1280 O GLY A 81 -8.776 -9.009 -1.736 1.00 0.00 O ATOM 0 H GLY A 81 -11.143 -10.005 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.958 -10.254 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.943 -8.821 -1.488 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.980 -7.097 -1.432 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.921 -6.120 -1.704 1.00 0.00 C ATOM 1286 C VAL A 82 -7.721 -6.268 -0.722 1.00 0.00 C ATOM 1287 O VAL A 82 -7.866 -6.778 0.405 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.552 -4.671 -1.608 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -10.084 -4.381 -0.186 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.587 -3.562 -2.077 1.00 0.00 C ATOM 0 H VAL A 82 -10.879 -6.657 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.522 -6.295 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.396 -4.660 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.510 -3.378 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.852 -5.110 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.265 -4.449 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.076 -2.592 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.690 -3.574 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.312 -3.735 -3.117 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.546 -5.797 -1.176 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.304 -5.737 -0.379 1.00 0.00 C ATOM 1302 C ILE A 83 -5.330 -4.444 0.457 1.00 0.00 C ATOM 1303 O ILE A 83 -6.003 -3.487 0.074 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.025 -5.742 -1.318 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.086 -6.934 -2.319 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.710 -5.793 -0.499 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -2.914 -7.051 -3.274 1.00 0.00 C ATOM 0 H ILE A 83 -6.429 -5.440 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.247 -6.612 0.268 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.029 -4.808 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.160 -7.860 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.001 -6.846 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.858 -5.795 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.653 -4.921 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.693 -6.699 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.059 -7.913 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.846 -6.147 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.993 -7.177 -2.705 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.673 -4.429 1.623 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.404 -3.171 2.359 1.00 0.00 C ATOM 1321 C ASN A 84 -2.980 -3.179 2.916 1.00 0.00 C ATOM 1322 O ASN A 84 -2.364 -4.250 3.076 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.458 -2.901 3.469 1.00 0.00 C ATOM 1324 CG ASN A 84 -5.540 -3.986 4.539 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -4.839 -3.935 5.550 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -6.417 -4.962 4.335 1.00 0.00 N ATOM 0 H ASN A 84 -4.316 -5.267 2.082 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.491 -2.345 1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.226 -1.951 3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.438 -2.792 3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.527 -5.702 5.028 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.981 -4.972 3.485 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.460 -1.970 3.188 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.083 -1.790 3.613 1.00 0.00 C ATOM 1335 C GLY A 85 -0.794 -0.387 4.123 1.00 0.00 C ATOM 1336 O GLY A 85 -1.716 0.411 4.292 1.00 0.00 O ATOM 0 H GLY A 85 -2.989 -1.101 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.855 -2.510 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.419 -2.010 2.777 1.00 0.00 H new ATOM 1340 N VAL A 86 0.498 -0.091 4.373 1.00 0.00 N ATOM 1341 CA VAL A 86 0.956 1.240 4.834 1.00 0.00 C ATOM 1342 C VAL A 86 2.005 1.810 3.860 1.00 0.00 C ATOM 1343 O VAL A 86 2.912 1.088 3.429 1.00 0.00 O ATOM 1344 CB VAL A 86 1.539 1.217 6.304 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.427 0.947 7.344 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.691 0.189 6.447 1.00 0.00 C ATOM 0 H VAL A 86 1.254 -0.766 4.262 1.00 0.00 H new ATOM 0 HA VAL A 86 0.077 1.885 4.851 1.00 0.00 H new ATOM 0 HB VAL A 86 1.953 2.206 6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.859 0.937 8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.327 1.731 7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.036 -0.018 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.066 0.202 7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.320 -0.808 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.498 0.449 5.762 1.00 0.00 H new ATOM 1356 N LEU A 87 1.870 3.099 3.510 1.00 0.00 N ATOM 1357 CA LEU A 87 2.767 3.768 2.549 1.00 0.00 C ATOM 1358 C LEU A 87 4.180 3.915 3.153 1.00 0.00 C ATOM 1359 O LEU A 87 4.314 4.310 4.305 1.00 0.00 O ATOM 1360 CB LEU A 87 2.197 5.156 2.163 1.00 0.00 C ATOM 1361 CG LEU A 87 2.922 5.901 0.996 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.909 5.059 -0.299 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.283 7.285 0.748 1.00 0.00 C ATOM 0 H LEU A 87 1.140 3.706 3.882 1.00 0.00 H new ATOM 0 HA LEU A 87 2.836 3.158 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.149 5.032 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.224 5.795 3.046 1.00 0.00 H new ATOM 0 HG LEU A 87 3.961 6.048 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.421 5.604 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.419 4.112 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.878 4.866 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.804 7.785 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.233 7.159 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.361 7.889 1.652 1.00 0.00 H new ATOM 1375 N ILE A 88 5.217 3.583 2.367 1.00 0.00 N ATOM 1376 CA ILE A 88 6.633 3.575 2.824 1.00 0.00 C ATOM 1377 C ILE A 88 7.540 4.308 1.824 1.00 0.00 C ATOM 1378 O ILE A 88 7.138 4.591 0.696 1.00 0.00 O ATOM 1379 CB ILE A 88 7.164 2.104 3.032 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.053 1.300 1.694 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.422 1.405 4.204 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.416 -0.167 1.754 1.00 0.00 C ATOM 0 H ILE A 88 5.105 3.310 1.391 1.00 0.00 H new ATOM 0 HA ILE A 88 6.662 4.096 3.781 1.00 0.00 H new ATOM 0 HB ILE A 88 8.218 2.141 3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.029 1.383 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.694 1.780 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.807 0.393 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.583 1.968 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.355 1.364 3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.298 -0.612 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.451 -0.273 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.760 -0.675 2.461 1.00 0.00 H new ATOM 1394 N ARG A 89 8.777 4.592 2.260 1.00 0.00 N ATOM 1395 CA ARG A 89 9.754 5.379 1.490 1.00 0.00 C ATOM 1396 C ARG A 89 10.995 4.517 1.165 1.00 0.00 C ATOM 1397 O ARG A 89 12.125 4.940 1.403 1.00 0.00 O ATOM 1398 CB ARG A 89 10.132 6.659 2.306 1.00 0.00 C ATOM 1399 CG ARG A 89 8.933 7.582 2.649 1.00 0.00 C ATOM 1400 CD ARG A 89 9.340 8.826 3.460 1.00 0.00 C ATOM 1401 NE ARG A 89 8.185 9.718 3.723 1.00 0.00 N ATOM 1402 CZ ARG A 89 8.020 10.963 3.226 1.00 0.00 C ATOM 1403 NH1 ARG A 89 8.948 11.527 2.465 1.00 0.00 N ATOM 1404 NH2 ARG A 89 6.920 11.637 3.511 1.00 0.00 N ATOM 0 H ARG A 89 9.131 4.280 3.164 1.00 0.00 H new ATOM 0 HA ARG A 89 9.320 5.691 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.616 6.353 3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.865 7.233 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.451 7.900 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.194 7.013 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.780 8.514 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.108 9.377 2.918 1.00 0.00 H new ATOM 0 HE ARG A 89 7.450 9.360 4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.805 11.020 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.805 12.468 2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.203 11.217 4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.788 12.578 3.140 1.00 0.00 H new ATOM 1418 N GLU A 90 10.769 3.290 0.631 1.00 0.00 N ATOM 1419 CA GLU A 90 11.869 2.373 0.220 1.00 0.00 C ATOM 1420 C GLU A 90 12.615 2.939 -0.997 1.00 0.00 C ATOM 1421 O GLU A 90 13.827 3.172 -0.950 1.00 0.00 O ATOM 1422 CB GLU A 90 11.320 0.956 -0.115 1.00 0.00 C ATOM 1423 CG GLU A 90 10.741 0.183 1.086 1.00 0.00 C ATOM 1424 CD GLU A 90 11.796 -0.288 2.098 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.363 -1.382 1.912 1.00 0.00 O ATOM 1426 OE2 GLU A 90 12.059 0.422 3.084 1.00 0.00 O ATOM 0 H GLU A 90 9.835 2.910 0.474 1.00 0.00 H new ATOM 0 HA GLU A 90 12.562 2.289 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.544 1.053 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.124 0.366 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.019 0.819 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.195 -0.685 0.716 1.00 0.00 H new ATOM 1433 N LEU A 91 11.865 3.153 -2.086 1.00 0.00 N ATOM 1434 CA LEU A 91 12.408 3.700 -3.338 1.00 0.00 C ATOM 1435 C LEU A 91 12.176 5.218 -3.426 1.00 0.00 C ATOM 1436 O LEU A 91 11.403 5.795 -2.645 1.00 0.00 O ATOM 1437 CB LEU A 91 11.783 2.987 -4.570 1.00 0.00 C ATOM 1438 CG LEU A 91 12.116 1.466 -4.732 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.356 0.849 -5.932 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.641 1.243 -4.877 1.00 0.00 C ATOM 0 H LEU A 91 10.866 2.952 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 91 13.483 3.518 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.700 3.097 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.111 3.507 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 91 11.783 0.958 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.608 -0.208 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.282 0.954 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.642 1.366 -6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.844 0.178 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.005 1.775 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.150 1.619 -3.989 1.00 0.00 H new