USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 530 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 45 TYR OH : rot -57:sc= 0.129 USER MOD Set 1.2: A 56 TYR OH : rot 167:sc= 1.29 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.15) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.6) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 39:sc= 1.09 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.0043) USER MOD Single : A 64 THR OG1 : rot -44:sc= 0.984 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HE2:sc= -0.635 K(o=-0.63,f=-2) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -140:sc= 0.252 USER MOD Single : A 78 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 79 CYS SG : rot 80:sc= -2.16 USER MOD Single : A 83 HIS : no HE2:sc= -5.69! C(o=-5.7!,f=-5.3!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00237 USER MOD Single : A 93 GLN : amide:sc= -0.0931 X(o=-0.093,f=0) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 8.517 -3.073 0.423 1.00 0.00 N ATOM 331 CA ALA A 26 8.035 -1.977 1.256 1.00 0.00 C ATOM 332 C ALA A 26 7.208 -2.500 2.426 1.00 0.00 C ATOM 333 O ALA A 26 7.029 -3.707 2.582 1.00 0.00 O ATOM 334 CB ALA A 26 7.217 -1.002 0.422 1.00 0.00 C ATOM 0 HA ALA A 26 8.900 -1.453 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.863 -0.189 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.838 -0.596 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.363 -1.522 -0.012 1.00 0.00 H new ATOM 340 N GLU A 27 6.706 -1.582 3.246 1.00 0.00 N ATOM 341 CA GLU A 27 5.898 -1.950 4.402 1.00 0.00 C ATOM 342 C GLU A 27 4.775 -0.943 4.624 1.00 0.00 C ATOM 343 O GLU A 27 4.556 -0.052 3.803 1.00 0.00 O ATOM 344 CB GLU A 27 6.773 -2.041 5.654 1.00 0.00 C ATOM 345 CG GLU A 27 8.008 -2.906 5.471 1.00 0.00 C ATOM 346 CD GLU A 27 8.988 -2.775 6.621 1.00 0.00 C ATOM 347 OE1 GLU A 27 9.568 -1.681 6.784 1.00 0.00 O ATOM 348 OE2 GLU A 27 9.174 -3.765 7.358 1.00 0.00 O ATOM 0 H GLU A 27 6.845 -0.578 3.131 1.00 0.00 H new ATOM 0 HA GLU A 27 5.453 -2.926 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.083 -1.037 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.178 -2.441 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.705 -3.949 5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.506 -2.630 4.541 1.00 0.00 H new ATOM 355 N VAL A 28 4.066 -1.090 5.738 1.00 0.00 N ATOM 356 CA VAL A 28 2.965 -0.193 6.067 1.00 0.00 C ATOM 357 C VAL A 28 3.482 1.128 6.624 1.00 0.00 C ATOM 358 O VAL A 28 4.032 1.177 7.725 1.00 0.00 O ATOM 359 CB VAL A 28 2.007 -0.830 7.093 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.789 0.053 7.310 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.590 -2.223 6.643 1.00 0.00 C ATOM 0 H VAL A 28 4.234 -1.822 6.428 1.00 0.00 H new ATOM 0 HA VAL A 28 2.421 -0.007 5.141 1.00 0.00 H new ATOM 0 HB VAL A 28 2.534 -0.922 8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.126 -0.415 8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.107 1.027 7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.260 0.181 6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.914 -2.656 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.083 -2.158 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.474 -2.854 6.546 1.00 0.00 H new ATOM 371 N GLY A 29 3.302 2.199 5.857 1.00 0.00 N ATOM 372 CA GLY A 29 3.756 3.508 6.292 1.00 0.00 C ATOM 373 C GLY A 29 4.995 3.969 5.550 1.00 0.00 C ATOM 374 O GLY A 29 5.922 4.511 6.152 1.00 0.00 O ATOM 0 H GLY A 29 2.850 2.184 4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.957 4.234 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.966 3.479 7.361 1.00 0.00 H new ATOM 378 N ASP A 30 5.012 3.753 4.238 1.00 0.00 N ATOM 379 CA ASP A 30 6.147 4.151 3.413 1.00 0.00 C ATOM 380 C ASP A 30 5.695 4.490 1.996 1.00 0.00 C ATOM 381 O ASP A 30 4.882 3.778 1.406 1.00 0.00 O ATOM 382 CB ASP A 30 7.194 3.036 3.378 1.00 0.00 C ATOM 383 CG ASP A 30 8.328 3.277 4.354 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.661 4.457 4.598 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.885 2.287 4.874 1.00 0.00 O ATOM 0 H ASP A 30 4.253 3.305 3.724 1.00 0.00 H new ATOM 0 HA ASP A 30 6.593 5.042 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.715 2.084 3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.598 2.952 2.369 1.00 0.00 H new ATOM 390 N GLN A 31 6.231 5.579 1.454 1.00 0.00 N ATOM 391 CA GLN A 31 5.885 6.012 0.106 1.00 0.00 C ATOM 392 C GLN A 31 6.238 4.937 -0.918 1.00 0.00 C ATOM 393 O GLN A 31 7.271 4.277 -0.807 1.00 0.00 O ATOM 394 CB GLN A 31 6.607 7.317 -0.235 1.00 0.00 C ATOM 395 CG GLN A 31 5.799 8.562 0.091 1.00 0.00 C ATOM 396 CD GLN A 31 6.648 9.667 0.687 1.00 0.00 C ATOM 397 OE1 GLN A 31 6.375 10.151 1.787 1.00 0.00 O ATOM 398 NE2 GLN A 31 7.683 10.075 -0.036 1.00 0.00 N ATOM 0 H GLN A 31 6.907 6.178 1.928 1.00 0.00 H new ATOM 0 HA GLN A 31 4.809 6.182 0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.551 7.353 0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.852 7.320 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.319 8.927 -0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.004 8.302 0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.873 9.647 -0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.289 10.817 0.314 1.00 0.00 H new ATOM 407 N VAL A 32 5.374 4.768 -1.912 1.00 0.00 N ATOM 408 CA VAL A 32 5.596 3.773 -2.955 1.00 0.00 C ATOM 409 C VAL A 32 5.049 4.249 -4.296 1.00 0.00 C ATOM 410 O VAL A 32 4.496 5.343 -4.400 1.00 0.00 O ATOM 411 CB VAL A 32 4.939 2.427 -2.595 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.736 1.717 -1.511 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.497 2.636 -2.158 1.00 0.00 C ATOM 0 H VAL A 32 4.514 5.306 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 32 6.674 3.634 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 32 4.936 1.796 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.257 0.768 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.749 1.532 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.773 2.342 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.050 1.674 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.472 3.286 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.934 3.098 -2.969 1.00 0.00 H new ATOM 423 N LEU A 33 5.207 3.418 -5.323 1.00 0.00 N ATOM 424 CA LEU A 33 4.729 3.753 -6.659 1.00 0.00 C ATOM 425 C LEU A 33 4.164 2.521 -7.358 1.00 0.00 C ATOM 426 O LEU A 33 4.905 1.611 -7.730 1.00 0.00 O ATOM 427 CB LEU A 33 5.863 4.352 -7.492 1.00 0.00 C ATOM 428 CG LEU A 33 5.431 4.976 -8.820 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.402 6.071 -8.585 1.00 0.00 C ATOM 430 CD2 LEU A 33 6.637 5.527 -9.567 1.00 0.00 C ATOM 0 H LEU A 33 5.663 2.508 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 33 3.932 4.490 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.367 5.114 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.595 3.571 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 33 4.972 4.200 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.106 6.504 -9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.527 5.648 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.834 6.847 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.311 5.967 -10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.124 6.290 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.341 4.719 -9.768 1.00 0.00 H new ATOM 442 N VAL A 34 2.846 2.499 -7.534 1.00 0.00 N ATOM 443 CA VAL A 34 2.182 1.378 -8.188 1.00 0.00 C ATOM 444 C VAL A 34 2.352 1.444 -9.702 1.00 0.00 C ATOM 445 O VAL A 34 1.995 2.438 -10.335 1.00 0.00 O ATOM 446 CB VAL A 34 0.679 1.342 -7.854 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.045 0.063 -8.377 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.462 1.480 -6.355 1.00 0.00 C ATOM 0 H VAL A 34 2.218 3.244 -7.233 1.00 0.00 H new ATOM 0 HA VAL A 34 2.653 0.470 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 34 0.196 2.186 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.017 0.056 -8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.167 0.012 -9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.529 -0.798 -7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.606 1.452 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.959 0.659 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.877 2.428 -6.013 1.00 0.00 H new ATOM 458 N ALA A 35 2.902 0.379 -10.278 1.00 0.00 N ATOM 459 CA ALA A 35 3.121 0.315 -11.718 1.00 0.00 C ATOM 460 C ALA A 35 3.994 1.471 -12.196 1.00 0.00 C ATOM 461 O ALA A 35 3.909 1.887 -13.352 1.00 0.00 O ATOM 462 CB ALA A 35 1.789 0.319 -12.453 1.00 0.00 C ATOM 0 H ALA A 35 3.204 -0.451 -9.769 1.00 0.00 H new ATOM 0 HA ALA A 35 3.645 -0.615 -11.939 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.966 0.271 -13.527 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.200 -0.544 -12.143 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.245 1.233 -12.216 1.00 0.00 H new ATOM 468 N GLY A 36 4.833 1.984 -11.302 1.00 0.00 N ATOM 469 CA GLY A 36 5.709 3.086 -11.654 1.00 0.00 C ATOM 470 C GLY A 36 4.949 4.295 -12.164 1.00 0.00 C ATOM 471 O GLY A 36 5.464 5.064 -12.976 1.00 0.00 O ATOM 0 H GLY A 36 4.922 1.656 -10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.296 3.372 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.414 2.756 -12.417 1.00 0.00 H new ATOM 475 N GLN A 37 3.719 4.462 -11.690 1.00 0.00 N ATOM 476 CA GLN A 37 2.886 5.586 -12.104 1.00 0.00 C ATOM 477 C GLN A 37 2.082 6.131 -10.929 1.00 0.00 C ATOM 478 O GLN A 37 2.392 7.193 -10.391 1.00 0.00 O ATOM 479 CB GLN A 37 1.942 5.159 -13.229 1.00 0.00 C ATOM 480 CG GLN A 37 2.653 4.854 -14.538 1.00 0.00 C ATOM 481 CD GLN A 37 1.984 3.738 -15.318 1.00 0.00 C ATOM 482 OE1 GLN A 37 0.799 3.815 -15.641 1.00 0.00 O ATOM 483 NE2 GLN A 37 2.744 2.693 -15.624 1.00 0.00 N ATOM 0 H GLN A 37 3.277 3.834 -11.019 1.00 0.00 H new ATOM 0 HA GLN A 37 3.542 6.377 -12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.388 4.275 -12.912 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.211 5.950 -13.398 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.681 5.755 -15.151 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.687 4.578 -14.330 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.722 2.672 -15.336 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.350 1.911 -16.148 1.00 0.00 H new ATOM 492 N LYS A 38 1.046 5.396 -10.536 1.00 0.00 N ATOM 493 CA LYS A 38 0.196 5.807 -9.424 1.00 0.00 C ATOM 494 C LYS A 38 0.989 5.852 -8.122 1.00 0.00 C ATOM 495 O LYS A 38 1.274 4.817 -7.521 1.00 0.00 O ATOM 496 CB LYS A 38 -0.989 4.850 -9.280 1.00 0.00 C ATOM 497 CG LYS A 38 -1.750 4.625 -10.577 1.00 0.00 C ATOM 498 CD LYS A 38 -2.951 5.549 -10.685 1.00 0.00 C ATOM 499 CE LYS A 38 -3.843 5.166 -11.855 1.00 0.00 C ATOM 500 NZ LYS A 38 -3.242 5.551 -13.162 1.00 0.00 N ATOM 0 H LYS A 38 0.775 4.514 -10.971 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.178 6.809 -9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.628 3.891 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.675 5.244 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.084 4.791 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.081 3.588 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.526 5.511 -9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.611 6.577 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.020 4.091 -11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.813 5.650 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.881 5.272 -13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.097 6.580 -13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.328 5.069 -13.279 1.00 0.00 H new ATOM 514 N GLN A 39 1.341 7.060 -7.692 1.00 0.00 N ATOM 515 CA GLN A 39 2.100 7.240 -6.460 1.00 0.00 C ATOM 516 C GLN A 39 1.180 7.216 -5.245 1.00 0.00 C ATOM 517 O GLN A 39 0.117 7.837 -5.246 1.00 0.00 O ATOM 518 CB GLN A 39 2.875 8.560 -6.504 1.00 0.00 C ATOM 519 CG GLN A 39 4.271 8.464 -5.910 1.00 0.00 C ATOM 520 CD GLN A 39 4.626 9.670 -5.060 1.00 0.00 C ATOM 521 OE1 GLN A 39 3.773 10.234 -4.375 1.00 0.00 O ATOM 522 NE2 GLN A 39 5.891 10.072 -5.104 1.00 0.00 N ATOM 0 H GLN A 39 1.113 7.927 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 39 2.806 6.414 -6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.951 8.893 -7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.311 9.321 -5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.342 7.562 -5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.999 8.364 -6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.564 9.574 -5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.189 10.879 -4.556 1.00 0.00 H new ATOM 531 N GLY A 40 1.595 6.494 -4.209 1.00 0.00 N ATOM 532 CA GLY A 40 0.795 6.404 -3.001 1.00 0.00 C ATOM 533 C GLY A 40 1.581 5.860 -1.824 1.00 0.00 C ATOM 534 O GLY A 40 2.783 5.618 -1.930 1.00 0.00 O ATOM 0 H GLY A 40 2.470 5.970 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.409 7.392 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.066 5.762 -3.186 1.00 0.00 H new ATOM 538 N ILE A 41 0.900 5.668 -0.698 1.00 0.00 N ATOM 539 CA ILE A 41 1.541 5.150 0.504 1.00 0.00 C ATOM 540 C ILE A 41 0.788 3.942 1.050 1.00 0.00 C ATOM 541 O ILE A 41 -0.442 3.937 1.104 1.00 0.00 O ATOM 542 CB ILE A 41 1.630 6.226 1.602 1.00 0.00 C ATOM 543 CG1 ILE A 41 2.225 7.519 1.037 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.460 5.721 2.775 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.360 8.738 1.277 1.00 0.00 C ATOM 0 H ILE A 41 -0.096 5.864 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 41 2.549 4.849 0.220 1.00 0.00 H new ATOM 0 HB ILE A 41 0.623 6.440 1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.205 7.685 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.381 7.400 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.513 6.493 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.995 4.827 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.466 5.481 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.843 9.617 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.388 8.593 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.225 8.883 2.349 1.00 0.00 H new ATOM 557 N VAL A 42 1.534 2.919 1.454 1.00 0.00 N ATOM 558 CA VAL A 42 0.939 1.704 1.997 1.00 0.00 C ATOM 559 C VAL A 42 0.107 2.007 3.238 1.00 0.00 C ATOM 560 O VAL A 42 0.607 2.572 4.210 1.00 0.00 O ATOM 561 CB VAL A 42 2.015 0.662 2.354 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.371 -0.666 2.727 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.991 0.485 1.201 1.00 0.00 C ATOM 0 H VAL A 42 2.553 2.908 1.415 1.00 0.00 H new ATOM 0 HA VAL A 42 0.292 1.294 1.221 1.00 0.00 H new ATOM 0 HB VAL A 42 2.572 1.024 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.147 -1.390 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.717 -0.524 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.787 -1.036 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.744 -0.255 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.452 0.147 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.478 1.436 0.987 1.00 0.00 H new ATOM 573 N ARG A 43 -1.166 1.624 3.198 1.00 0.00 N ATOM 574 CA ARG A 43 -2.068 1.853 4.321 1.00 0.00 C ATOM 575 C ARG A 43 -2.451 0.537 4.988 1.00 0.00 C ATOM 576 O ARG A 43 -2.643 0.478 6.203 1.00 0.00 O ATOM 577 CB ARG A 43 -3.327 2.583 3.849 1.00 0.00 C ATOM 578 CG ARG A 43 -3.051 3.962 3.271 1.00 0.00 C ATOM 579 CD ARG A 43 -2.307 4.842 4.263 1.00 0.00 C ATOM 580 NE ARG A 43 -2.436 6.262 3.939 1.00 0.00 N ATOM 581 CZ ARG A 43 -3.513 6.991 4.221 1.00 0.00 C ATOM 582 NH1 ARG A 43 -4.555 6.440 4.831 1.00 0.00 N ATOM 583 NH2 ARG A 43 -3.547 8.275 3.892 1.00 0.00 N ATOM 0 H ARG A 43 -1.595 1.154 2.401 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.548 2.473 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.828 1.976 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.016 2.681 4.688 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.464 3.864 2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.992 4.438 2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.692 4.663 5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.252 4.567 4.272 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.655 6.720 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.533 5.453 5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.378 7.004 5.045 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.748 8.703 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.372 8.835 4.107 1.00 0.00 H new ATOM 597 N PHE A 44 -2.562 -0.516 4.186 1.00 0.00 N ATOM 598 CA PHE A 44 -2.923 -1.833 4.698 1.00 0.00 C ATOM 599 C PHE A 44 -2.163 -2.931 3.963 1.00 0.00 C ATOM 600 O PHE A 44 -2.413 -3.191 2.787 1.00 0.00 O ATOM 601 CB PHE A 44 -4.430 -2.059 4.561 1.00 0.00 C ATOM 602 CG PHE A 44 -4.891 -3.377 5.114 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.904 -4.511 4.318 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.312 -3.482 6.430 1.00 0.00 C ATOM 605 CE1 PHE A 44 -5.329 -5.725 4.825 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.737 -4.693 6.943 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.745 -5.816 6.139 1.00 0.00 C ATOM 0 H PHE A 44 -2.407 -0.483 3.178 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.650 -1.873 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.958 -1.255 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.704 -2.000 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.579 -4.446 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.308 -2.607 7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.336 -6.602 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.062 -4.761 7.971 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.076 -6.764 6.537 1.00 0.00 H new ATOM 617 N TYR A 45 -1.235 -3.573 4.665 1.00 0.00 N ATOM 618 CA TYR A 45 -0.438 -4.645 4.078 1.00 0.00 C ATOM 619 C TYR A 45 -0.863 -6.003 4.630 1.00 0.00 C ATOM 620 O TYR A 45 -0.787 -6.246 5.834 1.00 0.00 O ATOM 621 CB TYR A 45 1.048 -4.414 4.352 1.00 0.00 C ATOM 622 CG TYR A 45 1.947 -5.465 3.741 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.728 -5.930 2.451 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.016 -5.992 4.456 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.548 -6.891 1.889 1.00 0.00 C ATOM 626 CE2 TYR A 45 3.840 -6.953 3.901 1.00 0.00 C ATOM 627 CZ TYR A 45 3.602 -7.398 2.618 1.00 0.00 C ATOM 628 OH TYR A 45 4.420 -8.356 2.063 1.00 0.00 O ATOM 0 H TYR A 45 -1.016 -3.370 5.640 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.606 -4.641 3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.332 -3.435 3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.211 -4.391 5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.903 -5.534 1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.206 -5.645 5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.364 -7.242 0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.666 -7.353 4.470 1.00 0.00 H new ATOM 0 HH TYR A 45 3.882 -9.129 1.793 1.00 0.00 H new ATOM 638 N GLY A 46 -1.311 -6.883 3.741 1.00 0.00 N ATOM 639 CA GLY A 46 -1.741 -8.205 4.156 1.00 0.00 C ATOM 640 C GLY A 46 -2.316 -9.015 3.012 1.00 0.00 C ATOM 641 O GLY A 46 -2.430 -8.522 1.890 1.00 0.00 O ATOM 0 H GLY A 46 -1.384 -6.704 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.894 -8.740 4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.490 -8.110 4.942 1.00 0.00 H new ATOM 645 N LYS A 47 -2.680 -10.261 3.296 1.00 0.00 N ATOM 646 CA LYS A 47 -3.247 -11.141 2.282 1.00 0.00 C ATOM 647 C LYS A 47 -4.706 -10.789 2.012 1.00 0.00 C ATOM 648 O LYS A 47 -5.319 -10.023 2.755 1.00 0.00 O ATOM 649 CB LYS A 47 -3.134 -12.601 2.724 1.00 0.00 C ATOM 650 CG LYS A 47 -1.701 -13.095 2.831 1.00 0.00 C ATOM 651 CD LYS A 47 -1.598 -14.580 2.521 1.00 0.00 C ATOM 652 CE LYS A 47 -1.429 -15.404 3.787 1.00 0.00 C ATOM 653 NZ LYS A 47 -1.746 -16.841 3.562 1.00 0.00 N ATOM 0 H LYS A 47 -2.592 -10.684 4.220 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.683 -11.004 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.623 -12.718 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.674 -13.229 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.069 -12.534 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.324 -12.905 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.493 -14.905 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.753 -14.756 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.404 -15.311 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.078 -15.007 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.618 -17.368 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.732 -16.933 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.110 -17.227 2.836 1.00 0.00 H new ATOM 667 N THR A 48 -5.257 -11.354 0.943 1.00 0.00 N ATOM 668 CA THR A 48 -6.646 -11.101 0.574 1.00 0.00 C ATOM 669 C THR A 48 -7.417 -12.409 0.431 1.00 0.00 C ATOM 670 O THR A 48 -6.865 -13.492 0.627 1.00 0.00 O ATOM 671 CB THR A 48 -6.712 -10.311 -0.733 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.897 -10.912 -1.724 1.00 0.00 O ATOM 673 CG2 THR A 48 -6.269 -8.871 -0.585 1.00 0.00 C ATOM 0 H THR A 48 -4.764 -11.990 0.317 1.00 0.00 H new ATOM 0 HA THR A 48 -7.106 -10.514 1.369 1.00 0.00 H new ATOM 0 HB THR A 48 -7.762 -10.323 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.973 -11.887 -1.663 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.340 -8.367 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.910 -8.365 0.137 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.237 -8.842 -0.236 1.00 0.00 H new ATOM 681 N ASP A 49 -8.697 -12.300 0.089 1.00 0.00 N ATOM 682 CA ASP A 49 -9.545 -13.474 -0.081 1.00 0.00 C ATOM 683 C ASP A 49 -9.832 -13.730 -1.557 1.00 0.00 C ATOM 684 O ASP A 49 -9.993 -14.875 -1.980 1.00 0.00 O ATOM 685 CB ASP A 49 -10.859 -13.295 0.682 1.00 0.00 C ATOM 686 CG ASP A 49 -11.371 -14.596 1.266 1.00 0.00 C ATOM 687 OD1 ASP A 49 -10.653 -15.200 2.090 1.00 0.00 O ATOM 688 OD2 ASP A 49 -12.491 -15.012 0.899 1.00 0.00 O ATOM 0 H ASP A 49 -9.169 -11.411 -0.076 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.013 -14.336 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.714 -12.572 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.612 -12.880 0.011 1.00 0.00 H new ATOM 693 N PHE A 50 -9.896 -12.655 -2.337 1.00 0.00 N ATOM 694 CA PHE A 50 -10.164 -12.763 -3.766 1.00 0.00 C ATOM 695 C PHE A 50 -8.976 -13.379 -4.498 1.00 0.00 C ATOM 696 O PHE A 50 -9.147 -14.135 -5.454 1.00 0.00 O ATOM 697 CB PHE A 50 -10.481 -11.386 -4.352 1.00 0.00 C ATOM 698 CG PHE A 50 -9.379 -10.383 -4.158 1.00 0.00 C ATOM 699 CD1 PHE A 50 -8.336 -10.295 -5.066 1.00 0.00 C ATOM 700 CD2 PHE A 50 -9.389 -9.527 -3.068 1.00 0.00 C ATOM 701 CE1 PHE A 50 -7.322 -9.373 -4.889 1.00 0.00 C ATOM 702 CE2 PHE A 50 -8.377 -8.603 -2.887 1.00 0.00 C ATOM 703 CZ PHE A 50 -7.342 -8.526 -3.799 1.00 0.00 C ATOM 0 H PHE A 50 -9.766 -11.700 -2.003 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.027 -13.415 -3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.682 -11.491 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.393 -11.005 -3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.315 -10.954 -5.921 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.196 -9.583 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.514 -9.315 -5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.395 -7.942 -2.033 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.550 -7.805 -3.659 1.00 0.00 H new ATOM 713 N ALA A 51 -7.772 -13.052 -4.042 1.00 0.00 N ATOM 714 CA ALA A 51 -6.556 -13.573 -4.654 1.00 0.00 C ATOM 715 C ALA A 51 -5.507 -13.906 -3.595 1.00 0.00 C ATOM 716 O ALA A 51 -5.388 -13.209 -2.587 1.00 0.00 O ATOM 717 CB ALA A 51 -5.999 -12.573 -5.655 1.00 0.00 C ATOM 0 H ALA A 51 -7.612 -12.429 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.809 -14.494 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.091 -12.975 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.738 -12.388 -6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.768 -11.638 -5.145 1.00 0.00 H new ATOM 723 N PRO A 52 -4.726 -14.980 -3.811 1.00 0.00 N ATOM 724 CA PRO A 52 -3.684 -15.400 -2.868 1.00 0.00 C ATOM 725 C PRO A 52 -2.457 -14.495 -2.920 1.00 0.00 C ATOM 726 O PRO A 52 -2.434 -13.505 -3.650 1.00 0.00 O ATOM 727 CB PRO A 52 -3.331 -16.808 -3.344 1.00 0.00 C ATOM 728 CG PRO A 52 -3.625 -16.796 -4.804 1.00 0.00 C ATOM 729 CD PRO A 52 -4.798 -15.869 -4.987 1.00 0.00 C ATOM 0 HA PRO A 52 -4.024 -15.356 -1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.283 -17.040 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.924 -17.562 -2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.762 -16.449 -5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.861 -17.798 -5.162 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.724 -15.308 -5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.740 -16.416 -5.019 1.00 0.00 H new ATOM 737 N GLY A 53 -1.438 -14.844 -2.142 1.00 0.00 N ATOM 738 CA GLY A 53 -0.222 -14.054 -2.114 1.00 0.00 C ATOM 739 C GLY A 53 -0.374 -12.781 -1.306 1.00 0.00 C ATOM 740 O GLY A 53 -1.415 -12.546 -0.694 1.00 0.00 O ATOM 0 H GLY A 53 -1.433 -15.660 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.586 -14.652 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.066 -13.800 -3.134 1.00 0.00 H new ATOM 744 N TYR A 54 0.669 -11.956 -1.304 1.00 0.00 N ATOM 745 CA TYR A 54 0.647 -10.698 -0.565 1.00 0.00 C ATOM 746 C TYR A 54 0.083 -9.572 -1.424 1.00 0.00 C ATOM 747 O TYR A 54 0.086 -9.653 -2.652 1.00 0.00 O ATOM 748 CB TYR A 54 2.056 -10.338 -0.090 1.00 0.00 C ATOM 749 CG TYR A 54 2.546 -11.191 1.057 1.00 0.00 C ATOM 750 CD1 TYR A 54 1.832 -11.265 2.247 1.00 0.00 C ATOM 751 CD2 TYR A 54 3.723 -11.922 0.951 1.00 0.00 C ATOM 752 CE1 TYR A 54 2.277 -12.044 3.298 1.00 0.00 C ATOM 753 CE2 TYR A 54 4.174 -12.703 1.998 1.00 0.00 C ATOM 754 CZ TYR A 54 3.448 -12.761 3.169 1.00 0.00 C ATOM 755 OH TYR A 54 3.895 -13.537 4.213 1.00 0.00 O ATOM 0 H TYR A 54 1.539 -12.136 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 54 0.000 -10.826 0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.748 -10.437 -0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.071 -9.292 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.915 -10.705 2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.294 -11.879 0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.710 -12.091 4.216 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.091 -13.265 1.900 1.00 0.00 H new ATOM 0 HH TYR A 54 4.733 -13.977 3.958 1.00 0.00 H new ATOM 765 N TRP A 55 -0.400 -8.521 -0.769 1.00 0.00 N ATOM 766 CA TRP A 55 -0.967 -7.377 -1.472 1.00 0.00 C ATOM 767 C TRP A 55 -0.856 -6.111 -0.628 1.00 0.00 C ATOM 768 O TRP A 55 -1.039 -6.146 0.588 1.00 0.00 O ATOM 769 CB TRP A 55 -2.433 -7.642 -1.823 1.00 0.00 C ATOM 770 CG TRP A 55 -2.614 -8.745 -2.820 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.795 -10.071 -2.551 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.632 -8.618 -4.246 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.924 -10.777 -3.723 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.828 -9.906 -4.778 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.502 -7.539 -5.126 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.897 -10.145 -6.148 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.570 -7.776 -6.486 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.766 -9.071 -6.986 1.00 0.00 C ATOM 0 H TRP A 55 -0.410 -8.438 0.248 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.401 -7.231 -2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.978 -7.892 -0.913 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.876 -6.728 -2.219 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.831 -10.502 -1.562 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.068 -11.784 -3.796 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.351 -6.538 -4.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.048 -11.142 -6.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.471 -6.950 -7.175 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.815 -9.224 -8.054 1.00 0.00 H new ATOM 789 N TYR A 56 -0.554 -4.995 -1.282 1.00 0.00 N ATOM 790 CA TYR A 56 -0.417 -3.718 -0.591 1.00 0.00 C ATOM 791 C TYR A 56 -1.655 -2.851 -0.799 1.00 0.00 C ATOM 792 O TYR A 56 -2.028 -2.546 -1.931 1.00 0.00 O ATOM 793 CB TYR A 56 0.827 -2.978 -1.084 1.00 0.00 C ATOM 794 CG TYR A 56 2.124 -3.568 -0.578 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.600 -4.775 -1.076 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.872 -2.919 0.395 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.784 -5.318 -0.616 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.058 -3.456 0.860 1.00 0.00 C ATOM 799 CZ TYR A 56 4.509 -4.656 0.352 1.00 0.00 C ATOM 800 OH TYR A 56 5.689 -5.194 0.811 1.00 0.00 O ATOM 0 H TYR A 56 -0.399 -4.949 -2.289 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.312 -3.920 0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.835 -2.985 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.766 -1.935 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.035 -5.297 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.522 -1.979 0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.140 -6.257 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.628 -2.938 1.617 1.00 0.00 H new ATOM 0 HH TYR A 56 6.177 -4.519 1.328 1.00 0.00 H new ATOM 810 N GLY A 57 -2.288 -2.460 0.302 1.00 0.00 N ATOM 811 CA GLY A 57 -3.477 -1.633 0.220 1.00 0.00 C ATOM 812 C GLY A 57 -3.152 -0.154 0.183 1.00 0.00 C ATOM 813 O GLY A 57 -3.590 0.607 1.047 1.00 0.00 O ATOM 0 H GLY A 57 -1.999 -2.701 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.041 -1.900 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.119 -1.840 1.076 1.00 0.00 H new ATOM 817 N ILE A 58 -2.383 0.256 -0.820 1.00 0.00 N ATOM 818 CA ILE A 58 -1.999 1.656 -0.965 1.00 0.00 C ATOM 819 C ILE A 58 -3.220 2.533 -1.220 1.00 0.00 C ATOM 820 O ILE A 58 -4.222 2.075 -1.768 1.00 0.00 O ATOM 821 CB ILE A 58 -0.991 1.847 -2.116 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.193 0.893 -1.952 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.511 3.291 -2.168 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.763 0.405 -3.265 1.00 0.00 C ATOM 0 H ILE A 58 -2.014 -0.360 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.528 1.955 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.491 1.617 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.979 1.396 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.123 0.034 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.200 3.409 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.363 3.952 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.026 3.547 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.599 -0.267 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.009 -0.127 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.110 1.257 -3.850 1.00 0.00 H new ATOM 836 N GLU A 59 -3.128 3.797 -0.820 1.00 0.00 N ATOM 837 CA GLU A 59 -4.225 4.740 -1.005 1.00 0.00 C ATOM 838 C GLU A 59 -3.770 5.954 -1.807 1.00 0.00 C ATOM 839 O GLU A 59 -3.101 6.842 -1.280 1.00 0.00 O ATOM 840 CB GLU A 59 -4.777 5.186 0.350 1.00 0.00 C ATOM 841 CG GLU A 59 -5.996 6.088 0.245 1.00 0.00 C ATOM 842 CD GLU A 59 -5.677 7.538 0.556 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.489 7.913 0.486 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.618 8.298 0.868 1.00 0.00 O ATOM 0 H GLU A 59 -2.305 4.192 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.014 4.235 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.038 4.304 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.994 5.711 0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.409 6.018 -0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.766 5.734 0.931 1.00 0.00 H new ATOM 851 N LEU A 60 -4.138 5.985 -3.083 1.00 0.00 N ATOM 852 CA LEU A 60 -3.766 7.091 -3.958 1.00 0.00 C ATOM 853 C LEU A 60 -4.383 8.399 -3.474 1.00 0.00 C ATOM 854 O LEU A 60 -5.324 8.397 -2.681 1.00 0.00 O ATOM 855 CB LEU A 60 -4.210 6.804 -5.393 1.00 0.00 C ATOM 856 CG LEU A 60 -3.751 5.457 -5.955 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.240 5.281 -7.385 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.236 5.343 -5.891 1.00 0.00 C ATOM 0 H LEU A 60 -4.693 5.258 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.681 7.192 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.298 6.847 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.834 7.597 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.182 4.663 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.904 4.318 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.329 5.320 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.838 6.080 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.926 4.379 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.786 6.144 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.908 5.425 -4.855 1.00 0.00 H new ATOM 870 N ASP A 61 -3.847 9.515 -3.958 1.00 0.00 N ATOM 871 CA ASP A 61 -4.344 10.831 -3.575 1.00 0.00 C ATOM 872 C ASP A 61 -5.401 11.322 -4.560 1.00 0.00 C ATOM 873 O ASP A 61 -6.316 12.055 -4.188 1.00 0.00 O ATOM 874 CB ASP A 61 -3.192 11.834 -3.503 1.00 0.00 C ATOM 875 CG ASP A 61 -3.351 12.816 -2.359 1.00 0.00 C ATOM 876 OD1 ASP A 61 -3.969 12.444 -1.339 1.00 0.00 O ATOM 877 OD2 ASP A 61 -2.858 13.957 -2.483 1.00 0.00 O ATOM 0 H ASP A 61 -3.068 9.534 -4.616 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.803 10.745 -2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.252 11.295 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.132 12.382 -4.443 1.00 0.00 H new ATOM 882 N GLN A 62 -5.268 10.912 -5.817 1.00 0.00 N ATOM 883 CA GLN A 62 -6.212 11.311 -6.854 1.00 0.00 C ATOM 884 C GLN A 62 -7.221 10.199 -7.131 1.00 0.00 C ATOM 885 O GLN A 62 -6.922 9.019 -6.945 1.00 0.00 O ATOM 886 CB GLN A 62 -5.467 11.672 -8.142 1.00 0.00 C ATOM 887 CG GLN A 62 -4.235 12.533 -7.914 1.00 0.00 C ATOM 888 CD GLN A 62 -3.281 12.508 -9.092 1.00 0.00 C ATOM 889 OE1 GLN A 62 -2.962 13.547 -9.668 1.00 0.00 O ATOM 890 NE2 GLN A 62 -2.821 11.316 -9.455 1.00 0.00 N ATOM 0 H GLN A 62 -4.516 10.304 -6.142 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.753 12.187 -6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.169 10.754 -8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.149 12.198 -8.810 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.544 13.561 -7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.714 12.186 -7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.113 10.481 -8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.176 11.236 -10.241 1.00 0.00 H new ATOM 899 N PRO A 63 -8.434 10.563 -7.581 1.00 0.00 N ATOM 900 CA PRO A 63 -9.488 9.592 -7.881 1.00 0.00 C ATOM 901 C PRO A 63 -9.238 8.852 -9.193 1.00 0.00 C ATOM 902 O PRO A 63 -9.543 9.361 -10.271 1.00 0.00 O ATOM 903 CB PRO A 63 -10.741 10.460 -7.989 1.00 0.00 C ATOM 904 CG PRO A 63 -10.240 11.789 -8.438 1.00 0.00 C ATOM 905 CD PRO A 63 -8.872 11.951 -7.829 1.00 0.00 C ATOM 0 HA PRO A 63 -9.555 8.812 -7.123 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.452 10.043 -8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.256 10.533 -7.031 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.190 11.839 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.908 12.587 -8.113 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.192 12.471 -8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.910 12.530 -6.906 1.00 0.00 H new ATOM 913 N THR A 64 -8.680 7.651 -9.090 1.00 0.00 N ATOM 914 CA THR A 64 -8.389 6.842 -10.269 1.00 0.00 C ATOM 915 C THR A 64 -7.898 5.454 -9.869 1.00 0.00 C ATOM 916 O THR A 64 -7.028 4.881 -10.524 1.00 0.00 O ATOM 917 CB THR A 64 -7.343 7.535 -11.142 1.00 0.00 C ATOM 918 OG1 THR A 64 -7.083 6.777 -12.310 1.00 0.00 O ATOM 919 CG2 THR A 64 -6.023 7.754 -10.434 1.00 0.00 C ATOM 0 H THR A 64 -8.420 7.216 -8.205 1.00 0.00 H new ATOM 0 HA THR A 64 -9.311 6.730 -10.839 1.00 0.00 H new ATOM 0 HB THR A 64 -7.771 8.507 -11.389 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.988 5.831 -12.072 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.326 8.250 -11.109 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.181 8.377 -9.554 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.610 6.793 -10.128 1.00 0.00 H new ATOM 927 N GLY A 65 -8.461 4.921 -8.790 1.00 0.00 N ATOM 928 CA GLY A 65 -8.068 3.605 -8.322 1.00 0.00 C ATOM 929 C GLY A 65 -8.901 2.497 -8.936 1.00 0.00 C ATOM 930 O GLY A 65 -9.522 2.687 -9.982 1.00 0.00 O ATOM 0 H GLY A 65 -9.182 5.377 -8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.017 3.438 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.161 3.566 -7.237 1.00 0.00 H new ATOM 934 N LYS A 66 -8.916 1.339 -8.284 1.00 0.00 N ATOM 935 CA LYS A 66 -9.678 0.197 -8.773 1.00 0.00 C ATOM 936 C LYS A 66 -10.870 -0.090 -7.864 1.00 0.00 C ATOM 937 O LYS A 66 -11.914 -0.557 -8.321 1.00 0.00 O ATOM 938 CB LYS A 66 -8.780 -1.040 -8.869 1.00 0.00 C ATOM 939 CG LYS A 66 -8.539 -1.505 -10.296 1.00 0.00 C ATOM 940 CD LYS A 66 -8.963 -2.953 -10.493 1.00 0.00 C ATOM 941 CE LYS A 66 -10.476 -3.100 -10.482 1.00 0.00 C ATOM 942 NZ LYS A 66 -11.006 -3.481 -11.821 1.00 0.00 N ATOM 0 H LYS A 66 -8.409 1.167 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.054 0.440 -9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.821 -0.820 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.233 -1.853 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.092 -0.867 -10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.482 -1.398 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.568 -3.323 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.531 -3.570 -9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.762 -3.855 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.930 -2.161 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.041 -3.571 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.755 -2.748 -12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.593 -4.390 -12.112 1.00 0.00 H new ATOM 956 N HIS A 67 -10.707 0.193 -6.576 1.00 0.00 N ATOM 957 CA HIS A 67 -11.770 -0.034 -5.604 1.00 0.00 C ATOM 958 C HIS A 67 -11.822 1.096 -4.581 1.00 0.00 C ATOM 959 O HIS A 67 -10.962 1.977 -4.570 1.00 0.00 O ATOM 960 CB HIS A 67 -11.562 -1.372 -4.892 1.00 0.00 C ATOM 961 CG HIS A 67 -10.156 -1.587 -4.420 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.761 -1.468 -3.107 1.00 0.00 N ATOM 963 CD2 HIS A 67 -9.042 -1.922 -5.119 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.447 -1.728 -3.049 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.963 -2.010 -4.243 1.00 0.00 N ATOM 0 H HIS A 67 -9.850 0.580 -6.181 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.719 -0.059 -6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.236 -1.428 -4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.837 -2.181 -5.569 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.361 -1.225 -2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.999 -2.093 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.861 -1.709 -2.142 1.00 0.00 H new ATOM 973 N ASP A 68 -12.837 1.065 -3.723 1.00 0.00 N ATOM 974 CA ASP A 68 -13.002 2.088 -2.697 1.00 0.00 C ATOM 975 C ASP A 68 -12.449 1.608 -1.358 1.00 0.00 C ATOM 976 O ASP A 68 -13.010 1.902 -0.303 1.00 0.00 O ATOM 977 CB ASP A 68 -14.479 2.458 -2.549 1.00 0.00 C ATOM 978 CG ASP A 68 -14.896 3.560 -3.503 1.00 0.00 C ATOM 979 OD1 ASP A 68 -14.371 3.597 -4.636 1.00 0.00 O ATOM 980 OD2 ASP A 68 -15.748 4.388 -3.116 1.00 0.00 O ATOM 0 H ASP A 68 -13.557 0.343 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.443 2.971 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.092 1.575 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.670 2.776 -1.524 1.00 0.00 H new ATOM 985 N GLY A 69 -11.346 0.868 -1.410 1.00 0.00 N ATOM 986 CA GLY A 69 -10.737 0.361 -0.195 1.00 0.00 C ATOM 987 C GLY A 69 -11.113 -1.081 0.084 1.00 0.00 C ATOM 988 O GLY A 69 -10.350 -1.819 0.706 1.00 0.00 O ATOM 0 H GLY A 69 -10.864 0.611 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.653 0.442 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.042 0.982 0.647 1.00 0.00 H new ATOM 992 N SER A 70 -12.294 -1.482 -0.376 1.00 0.00 N ATOM 993 CA SER A 70 -12.771 -2.845 -0.171 1.00 0.00 C ATOM 994 C SER A 70 -12.793 -3.616 -1.487 1.00 0.00 C ATOM 995 O SER A 70 -12.776 -3.024 -2.565 1.00 0.00 O ATOM 996 CB SER A 70 -14.169 -2.831 0.449 1.00 0.00 C ATOM 997 OG SER A 70 -15.118 -2.275 -0.446 1.00 0.00 O ATOM 0 H SER A 70 -12.938 -0.883 -0.893 1.00 0.00 H new ATOM 0 HA SER A 70 -12.084 -3.345 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.464 -3.847 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.155 -2.254 1.374 1.00 0.00 H new ATOM 0 HG SER A 70 -16.004 -2.279 -0.027 1.00 0.00 H new ATOM 1003 N VAL A 71 -12.832 -4.942 -1.390 1.00 0.00 N ATOM 1004 CA VAL A 71 -12.856 -5.793 -2.573 1.00 0.00 C ATOM 1005 C VAL A 71 -13.681 -7.052 -2.326 1.00 0.00 C ATOM 1006 O VAL A 71 -13.449 -7.779 -1.360 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.435 -6.202 -3.001 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.465 -6.919 -4.341 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.525 -4.984 -3.059 1.00 0.00 C ATOM 0 H VAL A 71 -12.848 -5.449 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.314 -5.210 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.035 -6.891 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.451 -7.200 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.081 -7.815 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.885 -6.257 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.524 -5.291 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.920 -4.269 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.478 -4.518 -2.075 1.00 0.00 H new ATOM 1019 N PHE A 72 -14.645 -7.303 -3.206 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.505 -8.474 -3.085 1.00 0.00 C ATOM 1021 C PHE A 72 -16.284 -8.448 -1.773 1.00 0.00 C ATOM 1022 O PHE A 72 -16.660 -9.493 -1.242 1.00 0.00 O ATOM 1023 CB PHE A 72 -14.672 -9.755 -3.170 1.00 0.00 C ATOM 1024 CG PHE A 72 -14.519 -10.280 -4.568 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -13.610 -9.707 -5.442 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -15.285 -11.348 -5.009 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -13.466 -10.188 -6.730 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -15.147 -11.833 -6.295 1.00 0.00 C ATOM 1029 CZ PHE A 72 -14.236 -11.253 -7.157 1.00 0.00 C ATOM 0 H PHE A 72 -14.850 -6.711 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.218 -8.455 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -13.684 -9.564 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.137 -10.523 -2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.006 -8.874 -5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -15.998 -11.806 -4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -12.753 -9.732 -7.401 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.751 -12.665 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.126 -11.631 -8.163 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.524 -7.248 -1.254 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.258 -7.111 -0.009 1.00 0.00 C ATOM 1041 C GLY A 73 -16.343 -6.988 1.195 1.00 0.00 C ATOM 1042 O GLY A 73 -16.696 -6.351 2.187 1.00 0.00 O ATOM 0 H GLY A 73 -16.223 -6.368 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.900 -6.232 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.910 -7.974 0.121 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.167 -7.599 1.108 1.00 0.00 N ATOM 1047 CA VAL A 74 -14.201 -7.555 2.198 1.00 0.00 C ATOM 1048 C VAL A 74 -13.413 -6.250 2.182 1.00 0.00 C ATOM 1049 O VAL A 74 -12.681 -5.967 1.233 1.00 0.00 O ATOM 1050 CB VAL A 74 -13.215 -8.738 2.125 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -12.322 -8.769 3.356 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.966 -10.053 1.970 1.00 0.00 C ATOM 0 H VAL A 74 -14.860 -8.131 0.293 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.769 -7.622 3.126 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.581 -8.602 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.634 -9.611 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.754 -7.840 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.937 -8.878 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.253 -10.876 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.627 -10.197 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.557 -10.029 1.054 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.569 -5.457 3.236 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.873 -4.180 3.343 1.00 0.00 C ATOM 1064 C ARG A 75 -11.507 -4.359 3.999 1.00 0.00 C ATOM 1065 O ARG A 75 -11.323 -5.234 4.845 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.712 -3.184 4.146 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.229 -1.747 4.024 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.888 -0.848 5.058 1.00 0.00 C ATOM 1069 NE ARG A 75 -12.936 0.080 5.663 1.00 0.00 N ATOM 1070 CZ ARG A 75 -11.969 -0.292 6.500 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -11.825 -1.569 6.833 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -11.145 0.616 7.006 1.00 0.00 N ATOM 0 H ARG A 75 -14.172 -5.676 4.029 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.724 -3.789 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.748 -3.240 3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.700 -3.475 5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.147 -1.714 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.446 -1.373 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.694 -0.285 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.340 -1.462 5.837 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.016 1.070 5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.457 -2.271 6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.083 -1.848 7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.252 1.599 6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.404 0.332 7.647 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.552 -3.524 3.602 1.00 0.00 N ATOM 1087 CA TYR A 76 -9.203 -3.590 4.150 1.00 0.00 C ATOM 1088 C TYR A 76 -8.825 -2.276 4.828 1.00 0.00 C ATOM 1089 O TYR A 76 -8.372 -2.265 5.973 1.00 0.00 O ATOM 1090 CB TYR A 76 -8.195 -3.914 3.046 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.549 -5.149 2.248 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -8.105 -6.405 2.642 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -9.327 -5.058 1.100 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -8.426 -7.535 1.915 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -9.654 -6.185 0.368 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.200 -7.420 0.779 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.522 -8.543 0.053 1.00 0.00 O ATOM 0 H TYR A 76 -10.688 -2.794 2.903 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.181 -4.384 4.897 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.123 -3.062 2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.210 -4.050 3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.499 -6.500 3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.682 -4.091 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.073 -8.504 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.262 -6.098 -0.521 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.471 -8.339 -0.904 1.00 0.00 H new ATOM 1107 N PHE A 77 -9.015 -1.172 4.113 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.694 0.147 4.647 1.00 0.00 C ATOM 1109 C PHE A 77 -9.671 1.198 4.126 1.00 0.00 C ATOM 1110 O PHE A 77 -10.358 0.980 3.129 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.262 0.536 4.274 1.00 0.00 C ATOM 1112 CG PHE A 77 -7.009 0.553 2.794 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.814 -0.630 2.098 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -6.967 1.751 2.100 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.580 -0.617 0.736 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.734 1.769 0.737 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.541 0.584 0.055 1.00 0.00 C ATOM 0 H PHE A 77 -9.389 -1.164 3.164 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.781 0.103 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.045 1.523 4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.570 -0.163 4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.845 -1.572 2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.118 2.681 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.428 -1.545 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.703 2.709 0.206 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.360 0.596 -1.010 1.00 0.00 H new ATOM 1127 N THR A 78 -9.725 2.336 4.810 1.00 0.00 N ATOM 1128 CA THR A 78 -10.617 3.422 4.417 1.00 0.00 C ATOM 1129 C THR A 78 -9.909 4.398 3.483 1.00 0.00 C ATOM 1130 O THR A 78 -8.877 4.970 3.835 1.00 0.00 O ATOM 1131 CB THR A 78 -11.128 4.162 5.654 1.00 0.00 C ATOM 1132 OG1 THR A 78 -11.490 3.246 6.673 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.332 5.036 5.375 1.00 0.00 C ATOM 0 H THR A 78 -9.163 2.531 5.638 1.00 0.00 H new ATOM 0 HA THR A 78 -11.464 2.988 3.885 1.00 0.00 H new ATOM 0 HB THR A 78 -10.302 4.799 5.970 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.813 3.739 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.643 5.532 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.072 5.786 4.629 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.150 4.420 5.001 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.468 4.582 2.292 1.00 0.00 N ATOM 1142 CA CYS A 79 -9.888 5.489 1.307 1.00 0.00 C ATOM 1143 C CYS A 79 -10.980 6.193 0.507 1.00 0.00 C ATOM 1144 O CYS A 79 -12.110 5.712 0.422 1.00 0.00 O ATOM 1145 CB CYS A 79 -8.959 4.725 0.363 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.763 3.375 -0.532 1.00 0.00 S ATOM 0 H CYS A 79 -11.322 4.116 1.985 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.310 6.243 1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.537 5.424 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.127 4.320 0.939 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.424 3.857 -1.542 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.634 7.334 -0.080 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.583 8.104 -0.875 1.00 0.00 C ATOM 1154 C ALA A 80 -12.112 7.283 -2.048 1.00 0.00 C ATOM 1155 O ALA A 80 -11.537 6.255 -2.405 1.00 0.00 O ATOM 1156 CB ALA A 80 -10.935 9.386 -1.374 1.00 0.00 C ATOM 0 H ALA A 80 -9.703 7.746 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.428 8.362 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.655 9.951 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.614 9.987 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.071 9.141 -1.991 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.220 7.729 -2.666 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.825 7.029 -3.804 1.00 0.00 C ATOM 1164 C PRO A 81 -12.817 6.746 -4.912 1.00 0.00 C ATOM 1165 O PRO A 81 -12.272 7.667 -5.520 1.00 0.00 O ATOM 1166 CB PRO A 81 -14.897 8.006 -4.293 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.239 8.824 -3.098 1.00 0.00 C ATOM 1168 CD PRO A 81 -13.968 8.947 -2.302 1.00 0.00 C ATOM 0 HA PRO A 81 -14.217 6.052 -3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.523 8.629 -5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.771 7.477 -4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.613 9.805 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.023 8.347 -2.510 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.416 9.850 -2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.167 8.992 -1.231 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.573 5.465 -5.168 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.629 5.057 -6.203 1.00 0.00 C ATOM 1178 C ARG A 82 -10.238 5.620 -5.923 1.00 0.00 C ATOM 1179 O ARG A 82 -9.703 6.406 -6.705 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.118 5.520 -7.578 1.00 0.00 C ATOM 1181 CG ARG A 82 -12.893 4.454 -8.337 1.00 0.00 C ATOM 1182 CD ARG A 82 -13.906 5.072 -9.286 1.00 0.00 C ATOM 1183 NE ARG A 82 -14.248 4.172 -10.384 1.00 0.00 N ATOM 1184 CZ ARG A 82 -15.197 4.425 -11.283 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -15.900 5.549 -11.216 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -15.443 3.552 -12.250 1.00 0.00 N ATOM 0 H ARG A 82 -13.016 4.691 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.566 3.969 -6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.751 6.398 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.260 5.828 -8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.199 3.830 -8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.406 3.802 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.810 5.330 -8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.504 6.001 -9.691 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.729 3.298 -10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.714 6.223 -10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.626 5.738 -11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.905 2.687 -12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.170 3.745 -12.939 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.657 5.211 -4.799 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.329 5.672 -4.414 1.00 0.00 C ATOM 1202 C HIS A 83 -7.410 4.492 -4.115 1.00 0.00 C ATOM 1203 O HIS A 83 -6.253 4.471 -4.535 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.417 6.585 -3.190 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.621 8.029 -3.534 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.008 9.069 -2.873 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.391 8.598 -4.496 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.415 10.213 -3.440 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.255 9.982 -4.430 1.00 0.00 N ATOM 0 H HIS A 83 -10.086 4.561 -4.140 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.911 6.234 -5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.239 6.251 -2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.502 6.485 -2.605 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.359 8.984 -2.091 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.010 8.063 -5.200 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.096 11.196 -3.127 1.00 0.00 H new ATOM 1217 N GLY A 84 -7.933 3.509 -3.388 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.145 2.340 -3.047 1.00 0.00 C ATOM 1219 C GLY A 84 -6.828 1.482 -4.256 1.00 0.00 C ATOM 1220 O GLY A 84 -7.683 1.267 -5.115 1.00 0.00 O ATOM 0 H GLY A 84 -8.888 3.502 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.214 2.657 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.686 1.743 -2.313 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.594 0.991 -4.323 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.167 0.152 -5.436 1.00 0.00 C ATOM 1226 C VAL A 85 -4.222 -0.947 -4.964 1.00 0.00 C ATOM 1227 O VAL A 85 -3.109 -0.674 -4.517 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.464 0.982 -6.527 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.459 1.895 -7.228 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.319 1.787 -5.931 1.00 0.00 C ATOM 0 H VAL A 85 -4.874 1.160 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.066 -0.300 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.050 0.298 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.944 2.473 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.241 1.293 -7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.905 2.573 -6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.834 2.367 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.707 2.462 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.594 1.109 -5.480 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.675 -2.193 -5.066 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.871 -3.336 -4.649 1.00 0.00 C ATOM 1242 C PHE A 86 -3.006 -3.840 -5.800 1.00 0.00 C ATOM 1243 O PHE A 86 -3.519 -4.243 -6.844 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.773 -4.462 -4.141 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.005 -4.424 -2.658 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -3.942 -4.529 -1.775 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.286 -4.282 -2.147 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.153 -4.493 -0.409 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.501 -4.246 -0.782 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.434 -4.352 0.088 1.00 0.00 C ATOM 0 H PHE A 86 -5.595 -2.436 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.216 -3.013 -3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.734 -4.405 -4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.327 -5.421 -4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.938 -4.640 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.125 -4.199 -2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.316 -4.575 0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.504 -4.135 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.601 -4.325 1.155 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.692 -3.817 -5.602 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.757 -4.272 -6.624 1.00 0.00 C ATOM 1262 C ALA A 87 0.389 -5.071 -6.006 1.00 0.00 C ATOM 1263 O ALA A 87 0.848 -4.760 -4.907 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.215 -3.087 -7.407 1.00 0.00 C ATOM 0 H ALA A 87 -1.251 -3.488 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.295 -4.929 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.482 -3.441 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.040 -2.561 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.302 -2.408 -6.729 1.00 0.00 H new ATOM 1270 N PRO A 88 0.868 -6.117 -6.705 1.00 0.00 N ATOM 1271 CA PRO A 88 1.966 -6.957 -6.215 1.00 0.00 C ATOM 1272 C PRO A 88 3.216 -6.147 -5.890 1.00 0.00 C ATOM 1273 O PRO A 88 3.565 -5.212 -6.609 1.00 0.00 O ATOM 1274 CB PRO A 88 2.240 -7.912 -7.380 1.00 0.00 C ATOM 1275 CG PRO A 88 0.975 -7.932 -8.166 1.00 0.00 C ATOM 1276 CD PRO A 88 0.379 -6.560 -8.023 1.00 0.00 C ATOM 0 HA PRO A 88 1.702 -7.463 -5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.076 -7.565 -7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.498 -8.908 -7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.169 -8.166 -9.213 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.294 -8.695 -7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.708 -5.893 -8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.710 -6.588 -8.060 1.00 0.00 H new ATOM 1284 N ALA A 89 3.887 -6.514 -4.797 1.00 0.00 N ATOM 1285 CA ALA A 89 5.102 -5.822 -4.376 1.00 0.00 C ATOM 1286 C ALA A 89 6.046 -5.650 -5.556 1.00 0.00 C ATOM 1287 O ALA A 89 6.521 -4.549 -5.834 1.00 0.00 O ATOM 1288 CB ALA A 89 5.784 -6.587 -3.251 1.00 0.00 C ATOM 0 H ALA A 89 3.609 -7.285 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 89 4.831 -4.834 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.688 -6.059 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.106 -6.664 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.047 -7.586 -3.598 1.00 0.00 H new ATOM 1294 N SER A 90 6.295 -6.750 -6.263 1.00 0.00 N ATOM 1295 CA SER A 90 7.160 -6.723 -7.431 1.00 0.00 C ATOM 1296 C SER A 90 6.650 -5.689 -8.427 1.00 0.00 C ATOM 1297 O SER A 90 7.411 -5.158 -9.236 1.00 0.00 O ATOM 1298 CB SER A 90 7.216 -8.104 -8.087 1.00 0.00 C ATOM 1299 OG SER A 90 7.447 -9.118 -7.125 1.00 0.00 O ATOM 0 H SER A 90 5.909 -7.668 -6.045 1.00 0.00 H new ATOM 0 HA SER A 90 8.167 -6.449 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.279 -8.300 -8.609 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.008 -8.122 -8.836 1.00 0.00 H new ATOM 0 HG SER A 90 7.477 -9.991 -7.570 1.00 0.00 H new ATOM 1305 N ARG A 91 5.353 -5.396 -8.346 1.00 0.00 N ATOM 1306 CA ARG A 91 4.738 -4.411 -9.223 1.00 0.00 C ATOM 1307 C ARG A 91 4.809 -3.019 -8.598 1.00 0.00 C ATOM 1308 O ARG A 91 4.606 -2.014 -9.278 1.00 0.00 O ATOM 1309 CB ARG A 91 3.281 -4.786 -9.508 1.00 0.00 C ATOM 1310 CG ARG A 91 3.074 -5.425 -10.872 1.00 0.00 C ATOM 1311 CD ARG A 91 1.677 -5.159 -11.409 1.00 0.00 C ATOM 1312 NE ARG A 91 0.917 -6.392 -11.593 1.00 0.00 N ATOM 1313 CZ ARG A 91 1.071 -7.211 -12.631 1.00 0.00 C ATOM 1314 NH1 ARG A 91 1.956 -6.930 -13.580 1.00 0.00 N ATOM 1315 NH2 ARG A 91 0.340 -8.313 -12.721 1.00 0.00 N ATOM 0 H ARG A 91 4.711 -5.828 -7.681 1.00 0.00 H new ATOM 0 HA ARG A 91 5.288 -4.399 -10.164 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.934 -5.474 -8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.663 -3.891 -9.438 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.814 -5.037 -11.572 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.238 -6.500 -10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.143 -4.503 -10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.749 -4.632 -12.360 1.00 0.00 H new ATOM 0 HE ARG A 91 0.227 -6.641 -10.884 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.521 -6.084 -13.516 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.070 -7.561 -14.373 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.341 -8.534 -11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.459 -8.940 -13.517 1.00 0.00 H new ATOM 1329 N ILE A 92 5.100 -2.967 -7.298 1.00 0.00 N ATOM 1330 CA ILE A 92 5.199 -1.696 -6.590 1.00 0.00 C ATOM 1331 C ILE A 92 6.656 -1.310 -6.356 1.00 0.00 C ATOM 1332 O ILE A 92 7.508 -2.170 -6.127 1.00 0.00 O ATOM 1333 CB ILE A 92 4.467 -1.748 -5.235 1.00 0.00 C ATOM 1334 CG1 ILE A 92 3.032 -2.244 -5.422 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.475 -0.379 -4.572 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.343 -2.602 -4.124 1.00 0.00 C ATOM 0 H ILE A 92 5.270 -3.788 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 92 4.724 -0.944 -7.221 1.00 0.00 H new ATOM 0 HB ILE A 92 4.993 -2.448 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.453 -1.473 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.040 -3.118 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.954 -0.435 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.504 -0.061 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.973 0.341 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.330 -2.946 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.899 -3.395 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.303 -1.724 -3.479 1.00 0.00 H new ATOM 1348 N GLN A 93 6.936 -0.012 -6.416 1.00 0.00 N ATOM 1349 CA GLN A 93 8.291 0.488 -6.211 1.00 0.00 C ATOM 1350 C GLN A 93 8.366 1.361 -4.962 1.00 0.00 C ATOM 1351 O GLN A 93 7.369 1.951 -4.545 1.00 0.00 O ATOM 1352 CB GLN A 93 8.752 1.286 -7.432 1.00 0.00 C ATOM 1353 CG GLN A 93 9.303 0.419 -8.553 1.00 0.00 C ATOM 1354 CD GLN A 93 8.591 0.647 -9.873 1.00 0.00 C ATOM 1355 OE1 GLN A 93 8.073 -0.289 -10.482 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.563 1.897 -10.321 1.00 0.00 N ATOM 0 H GLN A 93 6.243 0.712 -6.605 1.00 0.00 H new ATOM 0 HA GLN A 93 8.951 -0.369 -6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.913 1.868 -7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.519 1.996 -7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.366 0.626 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.213 -0.631 -8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.006 2.642 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.099 2.112 -11.203 1.00 0.00 H new ATOM 1365 N ARG A 94 9.554 1.439 -4.371 1.00 0.00 N ATOM 1366 CA ARG A 94 9.758 2.240 -3.171 1.00 0.00 C ATOM 1367 C ARG A 94 10.326 3.611 -3.523 1.00 0.00 C ATOM 1368 O ARG A 94 11.204 3.731 -4.377 1.00 0.00 O ATOM 1369 CB ARG A 94 10.700 1.518 -2.205 1.00 0.00 C ATOM 1370 CG ARG A 94 9.975 0.696 -1.150 1.00 0.00 C ATOM 1371 CD ARG A 94 10.708 0.727 0.181 1.00 0.00 C ATOM 1372 NE ARG A 94 10.591 2.025 0.842 1.00 0.00 N ATOM 1373 CZ ARG A 94 11.097 2.294 2.043 1.00 0.00 C ATOM 1374 NH1 ARG A 94 11.755 1.360 2.718 1.00 0.00 N ATOM 1375 NH2 ARG A 94 10.944 3.500 2.572 1.00 0.00 N ATOM 0 H ARG A 94 10.389 0.957 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 94 8.791 2.380 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.359 0.863 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.333 2.254 -1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.964 1.081 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.882 -0.335 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.307 -0.049 0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.761 0.496 0.020 1.00 0.00 H new ATOM 0 HE ARG A 94 10.092 2.769 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.875 0.430 2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.141 1.572 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.438 4.222 2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.332 3.706 3.493 1.00 0.00 H new ATOM 1389 N ILE A 95 9.818 4.644 -2.858 1.00 0.00 N ATOM 1390 CA ILE A 95 10.275 6.007 -3.100 1.00 0.00 C ATOM 1391 C ILE A 95 11.050 6.547 -1.903 1.00 0.00 C ATOM 1392 O ILE A 95 11.952 7.371 -2.053 1.00 0.00 O ATOM 1393 CB ILE A 95 9.094 6.951 -3.401 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.196 6.351 -4.485 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.604 8.320 -3.827 1.00 0.00 C ATOM 1396 CD1 ILE A 95 6.784 6.893 -4.468 1.00 0.00 C ATOM 0 H ILE A 95 9.090 4.563 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 95 10.932 5.971 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 95 8.505 7.071 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.639 6.545 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.163 5.269 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.758 8.975 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.206 8.749 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.214 8.218 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.204 6.424 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.322 6.675 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.806 7.972 -4.624 1.00 0.00 H new