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 180:sc= 0.0413 USER MOD Set 1.2: A 56 TYR OH : rot -82:sc= 0.166 USER MOD Single : A 31 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.57) USER MOD Single : A 37 GLN : amide:sc= 0.00947 X(o=0.0095,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 171:sc= 0.526 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -58:sc= 0.261 USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0053) USER MOD Single : A 67 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-4) USER MOD Single : A 70 SER OG : rot 41:sc= 0.098 USER MOD Single : A 76 TYR OH : rot 45:sc= -0.745 USER MOD Single : A 78 THR OG1 : rot 28:sc= 0.363 USER MOD Single : A 79 CYS SG : rot -128:sc= -0.412 USER MOD Single : A 83 HIS : no HE2:sc= -2.1 K(o=-2.1,f=-3.3) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 8.496 -3.046 0.636 1.00 0.00 N ATOM 331 CA ALA A 26 7.980 -1.844 1.279 1.00 0.00 C ATOM 332 C ALA A 26 7.228 -2.185 2.561 1.00 0.00 C ATOM 333 O ALA A 26 7.149 -3.349 2.954 1.00 0.00 O ATOM 334 CB ALA A 26 7.075 -1.082 0.321 1.00 0.00 C ATOM 0 HA ALA A 26 8.827 -1.212 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.696 -0.186 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.642 -0.797 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.239 -1.717 0.028 1.00 0.00 H new ATOM 340 N GLU A 27 6.678 -1.163 3.209 1.00 0.00 N ATOM 341 CA GLU A 27 5.932 -1.356 4.448 1.00 0.00 C ATOM 342 C GLU A 27 4.829 -0.313 4.588 1.00 0.00 C ATOM 343 O GLU A 27 4.795 0.673 3.852 1.00 0.00 O ATOM 344 CB GLU A 27 6.875 -1.283 5.651 1.00 0.00 C ATOM 345 CG GLU A 27 7.474 -2.626 6.037 1.00 0.00 C ATOM 346 CD GLU A 27 6.757 -3.269 7.206 1.00 0.00 C ATOM 347 OE1 GLU A 27 6.966 -2.819 8.353 1.00 0.00 O ATOM 348 OE2 GLU A 27 5.984 -4.224 6.977 1.00 0.00 O ATOM 0 H GLU A 27 6.735 -0.193 2.897 1.00 0.00 H new ATOM 0 HA GLU A 27 5.471 -2.343 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.682 -0.585 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.331 -0.878 6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.436 -3.297 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.526 -2.491 6.290 1.00 0.00 H new ATOM 355 N VAL A 28 3.926 -0.538 5.538 1.00 0.00 N ATOM 356 CA VAL A 28 2.820 0.382 5.775 1.00 0.00 C ATOM 357 C VAL A 28 3.319 1.705 6.347 1.00 0.00 C ATOM 358 O VAL A 28 4.007 1.731 7.367 1.00 0.00 O ATOM 359 CB VAL A 28 1.784 -0.223 6.740 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.549 0.664 6.828 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.410 -1.632 6.305 1.00 0.00 C ATOM 0 H VAL A 28 3.939 -1.350 6.156 1.00 0.00 H new ATOM 0 HA VAL A 28 2.345 0.562 4.810 1.00 0.00 H new ATOM 0 HB VAL A 28 2.230 -0.280 7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.171 0.219 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.835 1.651 7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.098 0.758 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.677 -2.044 6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.984 -1.602 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.301 -2.260 6.303 1.00 0.00 H new ATOM 371 N GLY A 29 2.968 2.801 5.682 1.00 0.00 N ATOM 372 CA GLY A 29 3.389 4.112 6.139 1.00 0.00 C ATOM 373 C GLY A 29 4.606 4.621 5.394 1.00 0.00 C ATOM 374 O GLY A 29 5.406 5.380 5.942 1.00 0.00 O ATOM 0 H GLY A 29 2.400 2.804 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.568 4.818 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.611 4.068 7.205 1.00 0.00 H new ATOM 378 N ASP A 30 4.748 4.204 4.141 1.00 0.00 N ATOM 379 CA ASP A 30 5.878 4.621 3.318 1.00 0.00 C ATOM 380 C ASP A 30 5.427 4.932 1.894 1.00 0.00 C ATOM 381 O ASP A 30 4.489 4.321 1.382 1.00 0.00 O ATOM 382 CB ASP A 30 6.954 3.535 3.302 1.00 0.00 C ATOM 383 CG ASP A 30 8.353 4.105 3.434 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.803 4.798 2.497 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.999 3.858 4.474 1.00 0.00 O ATOM 0 H ASP A 30 4.094 3.577 3.672 1.00 0.00 H new ATOM 0 HA ASP A 30 6.298 5.528 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.772 2.835 4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.881 2.969 2.373 1.00 0.00 H new ATOM 390 N GLN A 31 6.102 5.884 1.260 1.00 0.00 N ATOM 391 CA GLN A 31 5.771 6.276 -0.106 1.00 0.00 C ATOM 392 C GLN A 31 6.201 5.203 -1.101 1.00 0.00 C ATOM 393 O GLN A 31 7.355 4.773 -1.105 1.00 0.00 O ATOM 394 CB GLN A 31 6.439 7.609 -0.452 1.00 0.00 C ATOM 395 CG GLN A 31 5.505 8.803 -0.341 1.00 0.00 C ATOM 396 CD GLN A 31 6.172 10.007 0.295 1.00 0.00 C ATOM 397 OE1 GLN A 31 6.932 9.877 1.254 1.00 0.00 O ATOM 398 NE2 GLN A 31 5.888 11.190 -0.238 1.00 0.00 N ATOM 0 H GLN A 31 6.882 6.399 1.669 1.00 0.00 H new ATOM 0 HA GLN A 31 4.689 6.392 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.291 7.762 0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.830 7.557 -1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.147 9.073 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.631 8.523 0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.252 11.252 -1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.306 12.037 0.148 1.00 0.00 H new ATOM 407 N VAL A 32 5.267 4.773 -1.942 1.00 0.00 N ATOM 408 CA VAL A 32 5.548 3.751 -2.942 1.00 0.00 C ATOM 409 C VAL A 32 5.071 4.185 -4.322 1.00 0.00 C ATOM 410 O VAL A 32 4.525 5.276 -4.486 1.00 0.00 O ATOM 411 CB VAL A 32 4.881 2.411 -2.578 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.513 1.821 -1.327 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.382 2.594 -2.392 1.00 0.00 C ATOM 0 H VAL A 32 4.307 5.117 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 32 6.630 3.617 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 32 5.039 1.713 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.028 0.875 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.575 1.650 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.389 2.514 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.928 1.637 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.200 3.309 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.943 2.967 -3.317 1.00 0.00 H new ATOM 423 N LEU A 33 5.280 3.325 -5.314 1.00 0.00 N ATOM 424 CA LEU A 33 4.871 3.620 -6.682 1.00 0.00 C ATOM 425 C LEU A 33 4.282 2.384 -7.354 1.00 0.00 C ATOM 426 O LEU A 33 5.000 1.434 -7.665 1.00 0.00 O ATOM 427 CB LEU A 33 6.061 4.139 -7.492 1.00 0.00 C ATOM 428 CG LEU A 33 5.694 4.893 -8.771 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.896 6.145 -8.442 1.00 0.00 C ATOM 430 CD2 LEU A 33 6.948 5.251 -9.556 1.00 0.00 C ATOM 0 H LEU A 33 5.731 2.418 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 33 4.102 4.391 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.653 4.798 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.697 3.294 -7.756 1.00 0.00 H new ATOM 0 HG LEU A 33 5.074 4.243 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.644 6.669 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.980 5.866 -7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.491 6.799 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.669 5.787 -10.463 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.592 5.883 -8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.483 4.339 -9.823 1.00 0.00 H new ATOM 442 N VAL A 34 2.972 2.403 -7.575 1.00 0.00 N ATOM 443 CA VAL A 34 2.287 1.284 -8.210 1.00 0.00 C ATOM 444 C VAL A 34 2.533 1.271 -9.714 1.00 0.00 C ATOM 445 O VAL A 34 2.212 2.231 -10.415 1.00 0.00 O ATOM 446 CB VAL A 34 0.770 1.332 -7.949 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.097 0.068 -8.464 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.489 1.528 -6.467 1.00 0.00 C ATOM 0 H VAL A 34 2.363 3.182 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 34 2.694 0.374 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 34 0.355 2.182 -8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.974 0.121 -8.270 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.268 -0.024 -9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.515 -0.800 -7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.588 1.559 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.919 0.700 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.935 2.465 -6.133 1.00 0.00 H new ATOM 458 N ALA A 35 3.104 0.176 -10.206 1.00 0.00 N ATOM 459 CA ALA A 35 3.393 0.037 -11.628 1.00 0.00 C ATOM 460 C ALA A 35 4.327 1.142 -12.113 1.00 0.00 C ATOM 461 O ALA A 35 4.314 1.505 -13.289 1.00 0.00 O ATOM 462 CB ALA A 35 2.102 0.044 -12.431 1.00 0.00 C ATOM 0 H ALA A 35 3.376 -0.628 -9.640 1.00 0.00 H new ATOM 0 HA ALA A 35 3.897 -0.918 -11.778 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.332 -0.060 -13.491 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.471 -0.786 -12.113 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.575 0.984 -12.265 1.00 0.00 H new ATOM 468 N GLY A 36 5.137 1.672 -11.200 1.00 0.00 N ATOM 469 CA GLY A 36 6.065 2.728 -11.556 1.00 0.00 C ATOM 470 C GLY A 36 5.373 3.932 -12.168 1.00 0.00 C ATOM 471 O GLY A 36 5.905 4.565 -13.080 1.00 0.00 O ATOM 0 H GLY A 36 5.166 1.388 -10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.612 3.041 -10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.800 2.339 -12.261 1.00 0.00 H new ATOM 475 N GLN A 37 4.184 4.247 -11.666 1.00 0.00 N ATOM 476 CA GLN A 37 3.419 5.382 -12.169 1.00 0.00 C ATOM 477 C GLN A 37 2.606 6.029 -11.053 1.00 0.00 C ATOM 478 O GLN A 37 2.918 7.132 -10.604 1.00 0.00 O ATOM 479 CB GLN A 37 2.489 4.936 -13.299 1.00 0.00 C ATOM 480 CG GLN A 37 3.224 4.510 -14.559 1.00 0.00 C ATOM 481 CD GLN A 37 2.322 3.793 -15.545 1.00 0.00 C ATOM 482 OE1 GLN A 37 1.928 4.355 -16.567 1.00 0.00 O ATOM 483 NE2 GLN A 37 1.990 2.543 -15.244 1.00 0.00 N ATOM 0 H GLN A 37 3.729 3.733 -10.912 1.00 0.00 H new ATOM 0 HA GLN A 37 4.123 6.119 -12.555 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.876 4.106 -12.948 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.810 5.753 -13.543 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.655 5.389 -15.039 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.053 3.856 -14.288 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.339 2.115 -14.386 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.386 2.011 -15.871 1.00 0.00 H new ATOM 492 N LYS A 38 1.563 5.336 -10.610 1.00 0.00 N ATOM 493 CA LYS A 38 0.704 5.844 -9.545 1.00 0.00 C ATOM 494 C LYS A 38 1.455 5.894 -8.218 1.00 0.00 C ATOM 495 O LYS A 38 1.839 4.860 -7.672 1.00 0.00 O ATOM 496 CB LYS A 38 -0.543 4.969 -9.407 1.00 0.00 C ATOM 497 CG LYS A 38 -1.194 4.624 -10.737 1.00 0.00 C ATOM 498 CD LYS A 38 -2.710 4.624 -10.632 1.00 0.00 C ATOM 499 CE LYS A 38 -3.360 4.193 -11.937 1.00 0.00 C ATOM 500 NZ LYS A 38 -3.493 5.328 -12.893 1.00 0.00 N ATOM 0 H LYS A 38 1.291 4.422 -10.971 1.00 0.00 H new ATOM 0 HA LYS A 38 0.401 6.857 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.274 4.046 -8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.270 5.483 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.881 5.343 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.851 3.644 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.020 3.953 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.057 5.622 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.767 3.401 -12.394 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.345 3.775 -11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.941 4.993 -13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.080 6.073 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.551 5.711 -13.110 1.00 0.00 H new ATOM 514 N GLN A 39 1.658 7.103 -7.704 1.00 0.00 N ATOM 515 CA GLN A 39 2.361 7.288 -6.441 1.00 0.00 C ATOM 516 C GLN A 39 1.387 7.270 -5.268 1.00 0.00 C ATOM 517 O GLN A 39 0.412 8.022 -5.247 1.00 0.00 O ATOM 518 CB GLN A 39 3.137 8.608 -6.453 1.00 0.00 C ATOM 519 CG GLN A 39 4.357 8.605 -5.547 1.00 0.00 C ATOM 520 CD GLN A 39 4.528 9.912 -4.798 1.00 0.00 C ATOM 521 OE1 GLN A 39 5.480 10.656 -5.035 1.00 0.00 O ATOM 522 NE2 GLN A 39 3.605 10.197 -3.886 1.00 0.00 N ATOM 0 H GLN A 39 1.345 7.969 -8.143 1.00 0.00 H new ATOM 0 HA GLN A 39 3.062 6.462 -6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.453 8.825 -7.473 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.470 9.415 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.271 7.788 -4.831 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.248 8.413 -6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.833 9.551 -3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.669 11.062 -3.349 1.00 0.00 H new ATOM 531 N GLY A 40 1.656 6.406 -4.294 1.00 0.00 N ATOM 532 CA GLY A 40 0.793 6.307 -3.132 1.00 0.00 C ATOM 533 C GLY A 40 1.532 5.822 -1.900 1.00 0.00 C ATOM 534 O GLY A 40 2.748 5.636 -1.931 1.00 0.00 O ATOM 0 H GLY A 40 2.456 5.773 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.352 7.282 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.029 5.625 -3.351 1.00 0.00 H new ATOM 538 N ILE A 41 0.794 5.617 -0.813 1.00 0.00 N ATOM 539 CA ILE A 41 1.386 5.152 0.435 1.00 0.00 C ATOM 540 C ILE A 41 0.654 3.922 0.963 1.00 0.00 C ATOM 541 O ILE A 41 -0.571 3.923 1.089 1.00 0.00 O ATOM 542 CB ILE A 41 1.365 6.253 1.513 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.959 7.552 0.963 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.126 5.799 2.750 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.187 8.788 1.367 1.00 0.00 C ATOM 0 H ILE A 41 -0.214 5.766 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 41 2.421 4.890 0.217 1.00 0.00 H new ATOM 0 HB ILE A 41 0.329 6.442 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.988 7.647 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.993 7.494 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.102 6.588 3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.661 4.899 3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.161 5.584 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.665 9.671 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.164 8.715 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.175 8.870 2.454 1.00 0.00 H new ATOM 557 N VAL A 42 1.412 2.875 1.274 1.00 0.00 N ATOM 558 CA VAL A 42 0.834 1.640 1.789 1.00 0.00 C ATOM 559 C VAL A 42 0.082 1.888 3.093 1.00 0.00 C ATOM 560 O VAL A 42 0.642 2.419 4.052 1.00 0.00 O ATOM 561 CB VAL A 42 1.916 0.571 2.030 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.279 -0.766 2.377 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.818 0.441 0.813 1.00 0.00 C ATOM 0 H VAL A 42 2.427 2.858 1.178 1.00 0.00 H new ATOM 0 HA VAL A 42 0.137 1.277 1.033 1.00 0.00 H new ATOM 0 HB VAL A 42 2.529 0.885 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.059 -1.508 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.680 -0.660 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.640 -1.089 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.576 -0.319 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.222 0.152 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.303 1.397 0.616 1.00 0.00 H new ATOM 573 N ARG A 43 -1.190 1.503 3.120 1.00 0.00 N ATOM 574 CA ARG A 43 -2.018 1.684 4.306 1.00 0.00 C ATOM 575 C ARG A 43 -2.344 0.344 4.957 1.00 0.00 C ATOM 576 O ARG A 43 -2.523 0.260 6.172 1.00 0.00 O ATOM 577 CB ARG A 43 -3.312 2.415 3.943 1.00 0.00 C ATOM 578 CG ARG A 43 -3.125 3.906 3.715 1.00 0.00 C ATOM 579 CD ARG A 43 -3.102 4.671 5.029 1.00 0.00 C ATOM 580 NE ARG A 43 -2.578 6.025 4.865 1.00 0.00 N ATOM 581 CZ ARG A 43 -1.281 6.315 4.786 1.00 0.00 C ATOM 582 NH1 ARG A 43 -0.373 5.349 4.856 1.00 0.00 N ATOM 583 NH2 ARG A 43 -0.891 7.573 4.636 1.00 0.00 N ATOM 0 H ARG A 43 -1.669 1.064 2.334 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.455 2.285 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.731 1.968 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.040 2.266 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.194 4.079 3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.932 4.283 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.111 4.720 5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.491 4.131 5.752 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.246 6.794 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.668 4.379 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.619 5.577 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.585 8.319 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.103 7.795 4.576 1.00 0.00 H new ATOM 597 N PHE A 44 -2.422 -0.704 4.142 1.00 0.00 N ATOM 598 CA PHE A 44 -2.728 -2.039 4.643 1.00 0.00 C ATOM 599 C PHE A 44 -1.949 -3.103 3.875 1.00 0.00 C ATOM 600 O PHE A 44 -2.112 -3.251 2.664 1.00 0.00 O ATOM 601 CB PHE A 44 -4.229 -2.314 4.536 1.00 0.00 C ATOM 602 CG PHE A 44 -4.635 -3.651 5.086 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.476 -4.802 4.330 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.175 -3.758 6.357 1.00 0.00 C ATOM 605 CE1 PHE A 44 -4.848 -6.034 4.833 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.549 -4.987 6.865 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.386 -6.127 6.102 1.00 0.00 C ATOM 0 H PHE A 44 -2.278 -0.654 3.133 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.430 -2.083 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.772 -1.532 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.527 -2.255 3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.057 -4.735 3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.305 -2.870 6.958 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.718 -6.924 4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.968 -5.057 7.858 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.679 -7.089 6.497 1.00 0.00 H new ATOM 617 N TYR A 45 -1.105 -3.840 4.588 1.00 0.00 N ATOM 618 CA TYR A 45 -0.302 -4.892 3.975 1.00 0.00 C ATOM 619 C TYR A 45 -0.698 -6.262 4.516 1.00 0.00 C ATOM 620 O TYR A 45 -0.517 -6.548 5.700 1.00 0.00 O ATOM 621 CB TYR A 45 1.186 -4.641 4.227 1.00 0.00 C ATOM 622 CG TYR A 45 2.091 -5.680 3.604 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.925 -6.067 2.280 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.109 -6.274 4.339 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.748 -7.018 1.706 1.00 0.00 C ATOM 626 CE2 TYR A 45 3.936 -7.224 3.772 1.00 0.00 C ATOM 627 CZ TYR A 45 3.752 -7.593 2.457 1.00 0.00 C ATOM 628 OH TYR A 45 4.574 -8.539 1.889 1.00 0.00 O ATOM 0 H TYR A 45 -0.959 -3.729 5.591 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.488 -4.877 2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.451 -3.659 3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.364 -4.614 5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.140 -5.618 1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.256 -5.989 5.370 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.606 -7.309 0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.724 -7.676 4.357 1.00 0.00 H new ATOM 0 HH TYR A 45 5.229 -8.843 2.551 1.00 0.00 H new ATOM 638 N GLY A 46 -1.238 -7.105 3.642 1.00 0.00 N ATOM 639 CA GLY A 46 -1.649 -8.434 4.052 1.00 0.00 C ATOM 640 C GLY A 46 -2.310 -9.208 2.928 1.00 0.00 C ATOM 641 O GLY A 46 -2.733 -8.626 1.930 1.00 0.00 O ATOM 0 H GLY A 46 -1.398 -6.891 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.779 -8.987 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.341 -8.355 4.891 1.00 0.00 H new ATOM 645 N LYS A 47 -2.400 -10.524 3.092 1.00 0.00 N ATOM 646 CA LYS A 47 -3.015 -11.379 2.083 1.00 0.00 C ATOM 647 C LYS A 47 -4.505 -11.081 1.954 1.00 0.00 C ATOM 648 O LYS A 47 -5.202 -10.905 2.952 1.00 0.00 O ATOM 649 CB LYS A 47 -2.806 -12.852 2.437 1.00 0.00 C ATOM 650 CG LYS A 47 -1.353 -13.293 2.372 1.00 0.00 C ATOM 651 CD LYS A 47 -1.235 -14.767 2.021 1.00 0.00 C ATOM 652 CE LYS A 47 0.197 -15.260 2.153 1.00 0.00 C ATOM 653 NZ LYS A 47 0.264 -16.619 2.757 1.00 0.00 N ATOM 0 H LYS A 47 -2.055 -11.021 3.913 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.537 -11.172 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.187 -13.033 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.395 -13.468 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.823 -12.697 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.871 -13.107 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.883 -15.350 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.583 -14.928 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.667 -15.276 1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.766 -14.562 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.257 -16.918 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.161 -16.599 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.257 -17.291 2.158 1.00 0.00 H new ATOM 667 N THR A 48 -4.986 -11.028 0.717 1.00 0.00 N ATOM 668 CA THR A 48 -6.395 -10.753 0.457 1.00 0.00 C ATOM 669 C THR A 48 -7.177 -12.049 0.271 1.00 0.00 C ATOM 670 O THR A 48 -6.634 -13.142 0.430 1.00 0.00 O ATOM 671 CB THR A 48 -6.542 -9.872 -0.785 1.00 0.00 C ATOM 672 OG1 THR A 48 -6.157 -10.579 -1.950 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.715 -8.607 -0.722 1.00 0.00 C ATOM 0 H THR A 48 -4.422 -11.172 -0.121 1.00 0.00 H new ATOM 0 HA THR A 48 -6.802 -10.225 1.319 1.00 0.00 H new ATOM 0 HB THR A 48 -7.596 -9.597 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.394 -10.055 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.865 -8.028 -1.633 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.022 -8.014 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.661 -8.866 -0.626 1.00 0.00 H new ATOM 681 N ASP A 49 -8.456 -11.919 -0.067 1.00 0.00 N ATOM 682 CA ASP A 49 -9.313 -13.081 -0.275 1.00 0.00 C ATOM 683 C ASP A 49 -9.598 -13.288 -1.759 1.00 0.00 C ATOM 684 O ASP A 49 -9.781 -14.417 -2.214 1.00 0.00 O ATOM 685 CB ASP A 49 -10.628 -12.913 0.489 1.00 0.00 C ATOM 686 CG ASP A 49 -11.259 -14.244 0.849 1.00 0.00 C ATOM 687 OD1 ASP A 49 -11.578 -15.020 -0.076 1.00 0.00 O ATOM 688 OD2 ASP A 49 -11.435 -14.510 2.057 1.00 0.00 O ATOM 0 H ASP A 49 -8.921 -11.022 -0.203 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.790 -13.960 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.446 -12.342 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.326 -12.335 -0.116 1.00 0.00 H new ATOM 693 N PHE A 50 -9.632 -12.191 -2.509 1.00 0.00 N ATOM 694 CA PHE A 50 -9.895 -12.254 -3.942 1.00 0.00 C ATOM 695 C PHE A 50 -8.706 -12.854 -4.687 1.00 0.00 C ATOM 696 O PHE A 50 -8.877 -13.583 -5.664 1.00 0.00 O ATOM 697 CB PHE A 50 -10.202 -10.859 -4.488 1.00 0.00 C ATOM 698 CG PHE A 50 -9.064 -9.890 -4.334 1.00 0.00 C ATOM 699 CD1 PHE A 50 -8.039 -9.852 -5.265 1.00 0.00 C ATOM 700 CD2 PHE A 50 -9.021 -9.017 -3.259 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.991 -8.961 -5.127 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.975 -8.125 -3.115 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.960 -8.097 -4.051 1.00 0.00 C ATOM 0 H PHE A 50 -9.481 -11.249 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.762 -12.896 -4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.459 -10.940 -5.544 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.078 -10.462 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.059 -10.526 -6.108 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.814 -9.034 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.198 -8.941 -5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.952 -7.451 -2.272 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.143 -7.400 -3.941 1.00 0.00 H new ATOM 713 N ALA A 51 -7.501 -12.541 -4.220 1.00 0.00 N ATOM 714 CA ALA A 51 -6.285 -13.049 -4.841 1.00 0.00 C ATOM 715 C ALA A 51 -5.321 -13.602 -3.795 1.00 0.00 C ATOM 716 O ALA A 51 -5.275 -13.118 -2.664 1.00 0.00 O ATOM 717 CB ALA A 51 -5.611 -11.953 -5.654 1.00 0.00 C ATOM 0 H ALA A 51 -7.342 -11.938 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.562 -13.865 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.704 -12.346 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.291 -11.607 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.355 -11.120 -5.000 1.00 0.00 H new ATOM 723 N PRO A 52 -4.536 -14.631 -4.159 1.00 0.00 N ATOM 724 CA PRO A 52 -3.570 -15.250 -3.245 1.00 0.00 C ATOM 725 C PRO A 52 -2.362 -14.355 -2.985 1.00 0.00 C ATOM 726 O PRO A 52 -2.351 -13.185 -3.364 1.00 0.00 O ATOM 727 CB PRO A 52 -3.146 -16.517 -3.987 1.00 0.00 C ATOM 728 CG PRO A 52 -3.340 -16.194 -5.427 1.00 0.00 C ATOM 729 CD PRO A 52 -4.526 -15.270 -5.489 1.00 0.00 C ATOM 0 HA PRO A 52 -4.000 -15.438 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.108 -16.772 -3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.752 -17.373 -3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.452 -15.718 -5.843 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.519 -17.098 -6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.420 -14.535 -6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.450 -15.816 -5.679 1.00 0.00 H new ATOM 737 N GLY A 53 -1.347 -14.916 -2.336 1.00 0.00 N ATOM 738 CA GLY A 53 -0.147 -14.156 -2.036 1.00 0.00 C ATOM 739 C GLY A 53 -0.431 -12.933 -1.186 1.00 0.00 C ATOM 740 O GLY A 53 -1.474 -12.848 -0.538 1.00 0.00 O ATOM 0 H GLY A 53 -1.334 -15.883 -2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.565 -14.798 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.325 -13.845 -2.968 1.00 0.00 H new ATOM 744 N TYR A 54 0.502 -11.985 -1.187 1.00 0.00 N ATOM 745 CA TYR A 54 0.348 -10.762 -0.410 1.00 0.00 C ATOM 746 C TYR A 54 0.032 -9.578 -1.318 1.00 0.00 C ATOM 747 O TYR A 54 0.324 -9.604 -2.514 1.00 0.00 O ATOM 748 CB TYR A 54 1.620 -10.478 0.391 1.00 0.00 C ATOM 749 CG TYR A 54 1.643 -11.145 1.748 1.00 0.00 C ATOM 750 CD1 TYR A 54 0.753 -10.767 2.744 1.00 0.00 C ATOM 751 CD2 TYR A 54 2.556 -12.153 2.032 1.00 0.00 C ATOM 752 CE1 TYR A 54 0.771 -11.374 3.986 1.00 0.00 C ATOM 753 CE2 TYR A 54 2.580 -12.766 3.271 1.00 0.00 C ATOM 754 CZ TYR A 54 1.686 -12.373 4.244 1.00 0.00 C ATOM 755 OH TYR A 54 1.707 -12.979 5.479 1.00 0.00 O ATOM 0 H TYR A 54 1.372 -12.041 -1.717 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.484 -10.902 0.280 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.484 -10.813 -0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.723 -9.401 0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.034 -9.986 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.258 -12.463 1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.072 -11.067 4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.295 -13.549 3.476 1.00 0.00 H new ATOM 0 HH TYR A 54 2.410 -13.662 5.496 1.00 0.00 H new ATOM 765 N TRP A 55 -0.568 -8.541 -0.742 1.00 0.00 N ATOM 766 CA TRP A 55 -0.924 -7.346 -1.500 1.00 0.00 C ATOM 767 C TRP A 55 -0.756 -6.092 -0.649 1.00 0.00 C ATOM 768 O TRP A 55 -0.734 -6.162 0.579 1.00 0.00 O ATOM 769 CB TRP A 55 -2.365 -7.447 -2.003 1.00 0.00 C ATOM 770 CG TRP A 55 -2.574 -8.554 -2.990 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.692 -9.887 -2.714 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.689 -8.427 -4.412 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.874 -10.595 -3.879 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.875 -9.720 -4.934 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.653 -7.343 -5.294 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -3.025 -9.959 -6.298 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.802 -7.581 -6.648 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.986 -8.880 -7.138 1.00 0.00 C ATOM 0 H TRP A 55 -0.818 -8.504 0.246 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.252 -7.275 -2.355 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -3.029 -7.599 -1.152 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.648 -6.501 -2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.649 -10.321 -1.726 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.989 -11.606 -3.947 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.511 -6.338 -4.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.167 -10.960 -6.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.776 -6.751 -7.339 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.099 -9.033 -8.201 1.00 0.00 H new ATOM 789 N TYR A 56 -0.639 -4.945 -1.312 1.00 0.00 N ATOM 790 CA TYR A 56 -0.472 -3.675 -0.616 1.00 0.00 C ATOM 791 C TYR A 56 -1.657 -2.751 -0.879 1.00 0.00 C ATOM 792 O TYR A 56 -1.888 -2.326 -2.010 1.00 0.00 O ATOM 793 CB TYR A 56 0.826 -2.996 -1.058 1.00 0.00 C ATOM 794 CG TYR A 56 2.064 -3.813 -0.771 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.281 -5.029 -1.409 1.00 0.00 C ATOM 796 CD2 TYR A 56 3.017 -3.371 0.139 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.412 -5.779 -1.149 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.151 -4.116 0.404 1.00 0.00 C ATOM 799 CZ TYR A 56 4.343 -5.319 -0.243 1.00 0.00 C ATOM 800 OH TYR A 56 5.470 -6.064 0.018 1.00 0.00 O ATOM 0 H TYR A 56 -0.657 -4.870 -2.329 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.423 -3.878 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.774 -2.794 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.912 -2.033 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.554 -5.393 -2.119 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.869 -2.430 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.566 -6.721 -1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.882 -3.758 1.114 1.00 0.00 H new ATOM 0 HH TYR A 56 5.257 -6.760 0.674 1.00 0.00 H new ATOM 810 N GLY A 57 -2.406 -2.445 0.176 1.00 0.00 N ATOM 811 CA GLY A 57 -3.559 -1.574 0.040 1.00 0.00 C ATOM 812 C GLY A 57 -3.180 -0.107 0.052 1.00 0.00 C ATOM 813 O GLY A 57 -3.542 0.629 0.971 1.00 0.00 O ATOM 0 H GLY A 57 -2.235 -2.785 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.077 -1.805 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.258 -1.772 0.852 1.00 0.00 H new ATOM 817 N ILE A 58 -2.449 0.321 -0.972 1.00 0.00 N ATOM 818 CA ILE A 58 -2.020 1.711 -1.077 1.00 0.00 C ATOM 819 C ILE A 58 -3.191 2.621 -1.437 1.00 0.00 C ATOM 820 O ILE A 58 -4.072 2.240 -2.208 1.00 0.00 O ATOM 821 CB ILE A 58 -0.909 1.878 -2.133 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.227 0.887 -1.872 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.384 3.307 -2.130 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.818 0.300 -3.135 1.00 0.00 C ATOM 0 H ILE A 58 -2.141 -0.275 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.628 1.997 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.330 1.669 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.015 1.389 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.145 0.077 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.400 3.408 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.198 3.994 -2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.023 3.543 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.618 -0.394 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.042 -0.231 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.220 1.101 -3.755 1.00 0.00 H new ATOM 836 N GLU A 59 -3.191 3.825 -0.875 1.00 0.00 N ATOM 837 CA GLU A 59 -4.252 4.790 -1.137 1.00 0.00 C ATOM 838 C GLU A 59 -3.772 5.878 -2.091 1.00 0.00 C ATOM 839 O GLU A 59 -2.620 6.307 -2.031 1.00 0.00 O ATOM 840 CB GLU A 59 -4.733 5.419 0.172 1.00 0.00 C ATOM 841 CG GLU A 59 -5.994 6.253 0.020 1.00 0.00 C ATOM 842 CD GLU A 59 -6.073 7.381 1.030 1.00 0.00 C ATOM 843 OE1 GLU A 59 -5.224 8.294 0.965 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.984 7.350 1.884 1.00 0.00 O ATOM 0 H GLU A 59 -2.468 4.156 -0.235 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.083 4.262 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.916 4.628 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.939 6.047 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.031 6.669 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.866 5.609 0.131 1.00 0.00 H new ATOM 851 N LEU A 60 -4.663 6.321 -2.974 1.00 0.00 N ATOM 852 CA LEU A 60 -4.329 7.359 -3.942 1.00 0.00 C ATOM 853 C LEU A 60 -4.763 8.732 -3.440 1.00 0.00 C ATOM 854 O LEU A 60 -5.427 8.845 -2.409 1.00 0.00 O ATOM 855 CB LEU A 60 -4.991 7.062 -5.288 1.00 0.00 C ATOM 856 CG LEU A 60 -4.442 5.837 -6.023 1.00 0.00 C ATOM 857 CD1 LEU A 60 -5.194 5.614 -7.326 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.952 5.997 -6.286 1.00 0.00 C ATOM 0 H LEU A 60 -5.621 5.977 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.247 7.366 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.060 6.921 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.878 7.934 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.587 4.962 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.789 4.739 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.251 5.454 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.081 6.489 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.578 5.117 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.784 6.882 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.425 6.107 -5.338 1.00 0.00 H new ATOM 870 N ASP A 61 -4.385 9.772 -4.175 1.00 0.00 N ATOM 871 CA ASP A 61 -4.735 11.138 -3.805 1.00 0.00 C ATOM 872 C ASP A 61 -5.972 11.609 -4.564 1.00 0.00 C ATOM 873 O ASP A 61 -6.774 12.385 -4.044 1.00 0.00 O ATOM 874 CB ASP A 61 -3.563 12.081 -4.083 1.00 0.00 C ATOM 875 CG ASP A 61 -3.575 13.301 -3.182 1.00 0.00 C ATOM 876 OD1 ASP A 61 -4.679 13.785 -2.853 1.00 0.00 O ATOM 877 OD2 ASP A 61 -2.482 13.772 -2.806 1.00 0.00 O ATOM 0 H ASP A 61 -3.836 9.695 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.959 11.152 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.626 11.541 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.597 12.402 -5.124 1.00 0.00 H new ATOM 882 N GLN A 62 -6.120 11.134 -5.796 1.00 0.00 N ATOM 883 CA GLN A 62 -7.260 11.506 -6.627 1.00 0.00 C ATOM 884 C GLN A 62 -8.128 10.289 -6.939 1.00 0.00 C ATOM 885 O GLN A 62 -7.620 9.176 -7.081 1.00 0.00 O ATOM 886 CB GLN A 62 -6.780 12.150 -7.929 1.00 0.00 C ATOM 887 CG GLN A 62 -5.673 13.173 -7.731 1.00 0.00 C ATOM 888 CD GLN A 62 -5.851 14.399 -8.603 1.00 0.00 C ATOM 889 OE1 GLN A 62 -6.002 15.515 -8.103 1.00 0.00 O ATOM 890 NE2 GLN A 62 -5.833 14.200 -9.916 1.00 0.00 N ATOM 0 H GLN A 62 -5.465 10.491 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.861 12.226 -6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.425 11.369 -8.601 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.626 12.633 -8.419 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.647 13.477 -6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.711 12.710 -7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.705 13.259 -10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.947 14.989 -10.553 1.00 0.00 H new ATOM 899 N PRO A 63 -9.455 10.483 -7.051 1.00 0.00 N ATOM 900 CA PRO A 63 -10.390 9.392 -7.349 1.00 0.00 C ATOM 901 C PRO A 63 -10.025 8.656 -8.634 1.00 0.00 C ATOM 902 O PRO A 63 -10.525 8.983 -9.710 1.00 0.00 O ATOM 903 CB PRO A 63 -11.738 10.103 -7.506 1.00 0.00 C ATOM 904 CG PRO A 63 -11.588 11.379 -6.754 1.00 0.00 C ATOM 905 CD PRO A 63 -10.146 11.776 -6.898 1.00 0.00 C ATOM 0 HA PRO A 63 -10.386 8.630 -6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.967 10.288 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.552 9.500 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.247 12.149 -7.156 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.854 11.248 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.990 12.421 -7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.790 12.322 -6.025 1.00 0.00 H new ATOM 913 N THR A 64 -9.153 7.662 -8.514 1.00 0.00 N ATOM 914 CA THR A 64 -8.721 6.880 -9.666 1.00 0.00 C ATOM 915 C THR A 64 -8.199 5.514 -9.234 1.00 0.00 C ATOM 916 O THR A 64 -7.321 4.941 -9.878 1.00 0.00 O ATOM 917 CB THR A 64 -7.636 7.631 -10.440 1.00 0.00 C ATOM 918 OG1 THR A 64 -6.498 7.847 -9.625 1.00 0.00 O ATOM 919 CG2 THR A 64 -8.091 8.978 -10.958 1.00 0.00 C ATOM 0 H THR A 64 -8.731 7.378 -7.630 1.00 0.00 H new ATOM 0 HA THR A 64 -9.584 6.730 -10.315 1.00 0.00 H new ATOM 0 HB THR A 64 -7.398 6.995 -11.292 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.757 8.358 -8.830 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.273 9.456 -11.497 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.938 8.842 -11.631 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.390 9.608 -10.120 1.00 0.00 H new ATOM 927 N GLY A 65 -8.747 4.997 -8.138 1.00 0.00 N ATOM 928 CA GLY A 65 -8.325 3.702 -7.639 1.00 0.00 C ATOM 929 C GLY A 65 -9.131 2.562 -8.230 1.00 0.00 C ATOM 930 O GLY A 65 -10.084 2.789 -8.976 1.00 0.00 O ATOM 0 H GLY A 65 -9.475 5.452 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.270 3.554 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.420 3.686 -6.553 1.00 0.00 H new ATOM 934 N LYS A 66 -8.749 1.334 -7.896 1.00 0.00 N ATOM 935 CA LYS A 66 -9.444 0.155 -8.398 1.00 0.00 C ATOM 936 C LYS A 66 -10.737 -0.085 -7.623 1.00 0.00 C ATOM 937 O LYS A 66 -11.707 -0.614 -8.167 1.00 0.00 O ATOM 938 CB LYS A 66 -8.540 -1.075 -8.300 1.00 0.00 C ATOM 939 CG LYS A 66 -7.635 -1.262 -9.506 1.00 0.00 C ATOM 940 CD LYS A 66 -6.909 -2.597 -9.455 1.00 0.00 C ATOM 941 CE LYS A 66 -5.961 -2.759 -10.632 1.00 0.00 C ATOM 942 NZ LYS A 66 -6.694 -2.984 -11.909 1.00 0.00 N ATOM 0 H LYS A 66 -7.962 1.130 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.696 0.329 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.925 -0.993 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.161 -1.963 -8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.227 -1.203 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.907 -0.452 -9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.350 -2.673 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.637 -3.409 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.339 -1.868 -10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.291 -3.598 -10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.011 -3.123 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.294 -3.829 -11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.289 -2.157 -12.118 1.00 0.00 H new ATOM 956 N HIS A 67 -10.741 0.305 -6.353 1.00 0.00 N ATOM 957 CA HIS A 67 -11.914 0.131 -5.505 1.00 0.00 C ATOM 958 C HIS A 67 -12.006 1.246 -4.468 1.00 0.00 C ATOM 959 O HIS A 67 -11.169 2.148 -4.435 1.00 0.00 O ATOM 960 CB HIS A 67 -11.867 -1.228 -4.806 1.00 0.00 C ATOM 961 CG HIS A 67 -10.541 -1.532 -4.181 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.275 -1.392 -2.836 1.00 0.00 N ATOM 963 CD2 HIS A 67 -9.389 -1.978 -4.744 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.000 -1.749 -2.629 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.419 -2.114 -3.755 1.00 0.00 N ATOM 0 H HIS A 67 -9.946 0.743 -5.889 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.799 0.175 -6.139 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.638 -1.259 -4.036 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.107 -2.008 -5.529 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.248 -2.193 -5.793 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.512 -1.739 -1.666 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.457 -2.431 -3.876 1.00 0.00 H new ATOM 973 N ASP A 68 -13.030 1.177 -3.623 1.00 0.00 N ATOM 974 CA ASP A 68 -13.232 2.181 -2.584 1.00 0.00 C ATOM 975 C ASP A 68 -12.849 1.632 -1.213 1.00 0.00 C ATOM 976 O ASP A 68 -13.604 1.758 -0.248 1.00 0.00 O ATOM 977 CB ASP A 68 -14.690 2.647 -2.573 1.00 0.00 C ATOM 978 CG ASP A 68 -15.664 1.492 -2.446 1.00 0.00 C ATOM 979 OD1 ASP A 68 -15.387 0.565 -1.656 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.705 1.516 -3.137 1.00 0.00 O ATOM 0 H ASP A 68 -13.732 0.437 -3.637 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.588 3.032 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.841 3.339 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.900 3.197 -3.490 1.00 0.00 H new ATOM 985 N GLY A 69 -11.673 1.020 -1.134 1.00 0.00 N ATOM 986 CA GLY A 69 -11.211 0.460 0.123 1.00 0.00 C ATOM 987 C GLY A 69 -11.555 -1.010 0.265 1.00 0.00 C ATOM 988 O GLY A 69 -10.714 -1.816 0.661 1.00 0.00 O ATOM 0 H GLY A 69 -11.031 0.901 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.131 0.586 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.655 1.015 0.949 1.00 0.00 H new ATOM 992 N SER A 70 -12.797 -1.359 -0.058 1.00 0.00 N ATOM 993 CA SER A 70 -13.251 -2.741 0.035 1.00 0.00 C ATOM 994 C SER A 70 -13.213 -3.419 -1.330 1.00 0.00 C ATOM 995 O SER A 70 -13.617 -2.835 -2.336 1.00 0.00 O ATOM 996 CB SER A 70 -14.668 -2.798 0.608 1.00 0.00 C ATOM 997 OG SER A 70 -15.432 -1.680 0.191 1.00 0.00 O ATOM 0 H SER A 70 -13.506 -0.703 -0.386 1.00 0.00 H new ATOM 0 HA SER A 70 -12.576 -3.274 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.157 -3.717 0.286 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.623 -2.826 1.697 1.00 0.00 H new ATOM 0 HG SER A 70 -15.240 -1.485 -0.750 1.00 0.00 H new ATOM 1003 N VAL A 71 -12.726 -4.655 -1.359 1.00 0.00 N ATOM 1004 CA VAL A 71 -12.636 -5.413 -2.601 1.00 0.00 C ATOM 1005 C VAL A 71 -13.560 -6.626 -2.573 1.00 0.00 C ATOM 1006 O VAL A 71 -13.324 -7.581 -1.833 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.195 -5.886 -2.868 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.080 -6.496 -4.255 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.217 -4.734 -2.699 1.00 0.00 C ATOM 0 H VAL A 71 -12.387 -5.153 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.945 -4.743 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.943 -6.656 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.054 -6.824 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.752 -7.351 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.351 -5.751 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.203 -5.086 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.465 -3.940 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.280 -4.349 -1.681 1.00 0.00 H new ATOM 1019 N PHE A 72 -14.612 -6.582 -3.385 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.571 -7.677 -3.454 1.00 0.00 C ATOM 1021 C PHE A 72 -16.233 -7.909 -2.099 1.00 0.00 C ATOM 1022 O PHE A 72 -16.587 -9.036 -1.754 1.00 0.00 O ATOM 1023 CB PHE A 72 -14.880 -8.960 -3.920 1.00 0.00 C ATOM 1024 CG PHE A 72 -14.396 -8.898 -5.341 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -15.294 -8.768 -6.388 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -13.042 -8.971 -5.629 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -14.851 -8.711 -7.696 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -12.593 -8.915 -6.935 1.00 0.00 C ATOM 1029 CZ PHE A 72 -13.498 -8.785 -7.970 1.00 0.00 C ATOM 0 H PHE A 72 -14.821 -5.799 -4.004 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.342 -7.404 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.033 -9.166 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.573 -9.795 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.352 -8.711 -6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.330 -9.073 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.561 -8.609 -8.503 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.535 -8.973 -7.146 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.149 -8.741 -8.991 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.397 -6.833 -1.335 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.015 -6.941 -0.027 1.00 0.00 C ATOM 1041 C GLY A 73 -15.997 -6.987 1.095 1.00 0.00 C ATOM 1042 O GLY A 73 -16.268 -6.537 2.208 1.00 0.00 O ATOM 0 H GLY A 73 -16.113 -5.889 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.682 -6.093 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.630 -7.841 0.008 1.00 0.00 H new ATOM 1046 N VAL A 74 -14.821 -7.532 0.802 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.757 -7.634 1.793 1.00 0.00 C ATOM 1048 C VAL A 74 -13.050 -6.296 1.980 1.00 0.00 C ATOM 1049 O VAL A 74 -12.448 -5.765 1.047 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.719 -8.700 1.396 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.733 -8.936 2.530 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.410 -9.997 1.003 1.00 0.00 C ATOM 0 H VAL A 74 -14.581 -7.910 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.227 -7.928 2.732 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.163 -8.334 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.008 -9.692 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.213 -8.006 2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.271 -9.279 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.661 -10.739 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.994 -10.368 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.071 -9.815 0.156 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.130 -5.755 3.191 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.500 -4.476 3.501 1.00 0.00 C ATOM 1064 C ARG A 75 -11.122 -4.682 4.122 1.00 0.00 C ATOM 1065 O ARG A 75 -10.879 -5.679 4.804 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.385 -3.668 4.453 1.00 0.00 C ATOM 1067 CG ARG A 75 -12.971 -2.212 4.580 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.962 -1.419 5.420 1.00 0.00 C ATOM 1069 NE ARG A 75 -14.350 -0.169 4.772 1.00 0.00 N ATOM 1070 CZ ARG A 75 -15.375 0.582 5.167 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -16.116 0.214 6.205 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -15.661 1.706 4.523 1.00 0.00 N ATOM 0 H ARG A 75 -13.625 -6.182 3.974 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.378 -3.924 2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.417 -3.715 4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.361 -4.131 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.981 -2.153 5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.896 -1.767 3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.850 -2.025 5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.521 -1.202 6.393 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.804 0.147 3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.901 -0.649 6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.900 0.794 6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.095 1.995 3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.447 2.282 4.826 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.222 -3.733 3.884 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.868 -3.810 4.421 1.00 0.00 C ATOM 1088 C TYR A 76 -8.483 -2.509 5.118 1.00 0.00 C ATOM 1089 O TYR A 76 -7.933 -2.524 6.220 1.00 0.00 O ATOM 1090 CB TYR A 76 -7.870 -4.117 3.302 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.264 -5.300 2.446 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.082 -5.136 1.336 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.816 -6.581 2.748 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.445 -6.214 0.550 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.174 -7.664 1.968 1.00 0.00 C ATOM 1096 CZ TYR A 76 -8.988 -7.475 0.870 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.347 -8.551 0.091 1.00 0.00 O ATOM 0 H TYR A 76 -10.406 -2.901 3.323 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.841 -4.616 5.155 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.768 -3.237 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.891 -4.308 3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.441 -4.149 1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.178 -6.732 3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.083 -6.069 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.819 -8.653 2.216 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.251 -8.316 -0.856 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.774 -1.386 4.471 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.458 -0.077 5.032 1.00 0.00 C ATOM 1109 C PHE A 77 -9.504 0.958 4.628 1.00 0.00 C ATOM 1110 O PHE A 77 -10.292 0.733 3.709 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.070 0.377 4.572 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.924 0.443 3.078 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.646 -0.700 2.346 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.064 1.647 2.408 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.511 -0.642 0.971 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.930 1.711 1.034 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.653 0.565 0.315 1.00 0.00 C ATOM 0 H PHE A 77 -9.228 -1.355 3.558 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.463 -0.166 6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.860 1.360 4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.322 -0.307 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.534 -1.646 2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.280 2.546 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.295 -1.540 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.042 2.656 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.548 0.613 -0.759 1.00 0.00 H new ATOM 1127 N THR A 78 -9.504 2.092 5.320 1.00 0.00 N ATOM 1128 CA THR A 78 -10.453 3.163 5.035 1.00 0.00 C ATOM 1129 C THR A 78 -9.832 4.211 4.117 1.00 0.00 C ATOM 1130 O THR A 78 -8.789 4.785 4.430 1.00 0.00 O ATOM 1131 CB THR A 78 -10.919 3.820 6.336 1.00 0.00 C ATOM 1132 OG1 THR A 78 -9.844 4.483 6.975 1.00 0.00 O ATOM 1133 CG2 THR A 78 -11.507 2.838 7.326 1.00 0.00 C ATOM 0 H THR A 78 -8.857 2.294 6.083 1.00 0.00 H new ATOM 0 HA THR A 78 -11.313 2.726 4.528 1.00 0.00 H new ATOM 0 HB THR A 78 -11.698 4.523 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 78 -9.190 4.768 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.817 3.370 8.226 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.371 2.345 6.880 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.757 2.091 7.586 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.481 4.457 2.984 1.00 0.00 N ATOM 1142 CA CYS A 79 -9.994 5.438 2.021 1.00 0.00 C ATOM 1143 C CYS A 79 -11.155 6.104 1.289 1.00 0.00 C ATOM 1144 O CYS A 79 -12.304 5.679 1.410 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.055 4.772 1.014 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.720 3.265 0.269 1.00 0.00 S ATOM 0 H CYS A 79 -11.346 3.991 2.710 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.445 6.205 2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.824 5.485 0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.115 4.534 1.512 1.00 0.00 H new ATOM 0 HG CYS A 79 -8.853 2.304 0.386 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.846 7.150 0.529 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.862 7.876 -0.222 1.00 0.00 C ATOM 1154 C ALA A 80 -12.367 7.050 -1.403 1.00 0.00 C ATOM 1155 O ALA A 80 -11.723 6.086 -1.817 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.308 9.207 -0.705 1.00 0.00 C ATOM 0 H ALA A 80 -9.899 7.513 0.417 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.705 8.065 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.077 9.740 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.002 9.807 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.447 9.030 -1.350 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.532 7.417 -1.963 1.00 0.00 N ATOM 1163 CA PRO A 81 -14.121 6.705 -3.102 1.00 0.00 C ATOM 1164 C PRO A 81 -13.138 6.549 -4.258 1.00 0.00 C ATOM 1165 O PRO A 81 -12.671 7.536 -4.825 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.294 7.596 -3.515 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.655 8.344 -2.279 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.367 8.555 -1.533 1.00 0.00 C ATOM 0 HA PRO A 81 -14.415 5.689 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.011 8.274 -4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.133 7.003 -3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.126 9.297 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.368 7.781 -1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.907 9.510 -1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.523 8.554 -0.454 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.830 5.303 -4.602 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.903 5.018 -5.691 1.00 0.00 C ATOM 1178 C ARG A 82 -10.528 5.618 -5.406 1.00 0.00 C ATOM 1179 O ARG A 82 -10.061 6.500 -6.128 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.451 5.566 -7.010 1.00 0.00 C ATOM 1181 CG ARG A 82 -13.692 4.841 -7.502 1.00 0.00 C ATOM 1182 CD ARG A 82 -14.961 5.580 -7.111 1.00 0.00 C ATOM 1183 NE ARG A 82 -15.559 5.036 -5.893 1.00 0.00 N ATOM 1184 CZ ARG A 82 -16.821 5.248 -5.528 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -17.621 5.990 -6.283 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -17.283 4.717 -4.405 1.00 0.00 N ATOM 0 H ARG A 82 -13.209 4.475 -4.143 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.796 3.936 -5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.684 6.624 -6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.675 5.498 -7.772 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.649 4.739 -8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.714 3.833 -7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.735 6.636 -6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.681 5.520 -7.927 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.974 4.460 -5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.269 6.401 -7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.588 6.149 -5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.671 4.146 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.250 4.879 -4.124 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.887 5.135 -4.348 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.566 5.623 -3.966 1.00 0.00 C ATOM 1202 C HIS A 83 -7.616 4.462 -3.688 1.00 0.00 C ATOM 1203 O HIS A 83 -6.475 4.456 -4.149 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.668 6.521 -2.733 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.881 7.967 -3.061 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.153 8.996 -2.506 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.764 8.550 -3.911 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.607 10.146 -3.021 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.584 9.930 -3.880 1.00 0.00 N ATOM 0 H HIS A 83 -10.260 4.406 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.166 6.204 -4.797 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.491 6.174 -2.108 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.756 6.421 -2.144 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.401 8.899 -1.824 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.490 8.027 -4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.223 11.123 -2.766 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.096 3.480 -2.931 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.277 2.328 -2.605 1.00 0.00 C ATOM 1219 C GLY A 84 -6.899 1.519 -3.830 1.00 0.00 C ATOM 1220 O GLY A 84 -7.706 1.351 -4.744 1.00 0.00 O ATOM 0 H GLY A 84 -9.037 3.462 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.370 2.662 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.816 1.690 -1.904 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.669 1.017 -3.849 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.186 0.222 -4.971 1.00 0.00 C ATOM 1226 C VAL A 85 -4.302 -0.925 -4.493 1.00 0.00 C ATOM 1227 O VAL A 85 -3.271 -0.703 -3.857 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.391 1.084 -5.970 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.330 1.963 -6.782 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.356 1.928 -5.241 1.00 0.00 C ATOM 0 H VAL A 85 -4.989 1.147 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.065 -0.184 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.866 0.421 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.751 2.565 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.029 1.335 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.884 2.620 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.804 2.530 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.857 2.584 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.664 1.275 -4.708 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.713 -2.150 -4.802 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.958 -3.334 -4.404 1.00 0.00 C ATOM 1242 C PHE A 86 -3.128 -3.865 -5.567 1.00 0.00 C ATOM 1243 O PHE A 86 -3.671 -4.309 -6.578 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.907 -4.422 -3.900 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.211 -4.321 -2.432 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.214 -4.508 -1.489 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.497 -4.041 -1.996 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.492 -4.416 -0.138 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.780 -3.947 -0.647 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.776 -4.135 0.283 1.00 0.00 C ATOM 0 H PHE A 86 -5.565 -2.350 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.281 -3.050 -3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.840 -4.367 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.469 -5.399 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.208 -4.728 -1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.286 -3.895 -2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.705 -4.564 0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.785 -3.727 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.995 -4.062 1.338 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.809 -3.820 -5.417 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.903 -4.298 -6.454 1.00 0.00 C ATOM 1262 C ALA A 87 0.251 -5.096 -5.852 1.00 0.00 C ATOM 1263 O ALA A 87 0.719 -4.792 -4.756 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.371 -3.129 -7.269 1.00 0.00 C ATOM 0 H ALA A 87 -1.343 -3.457 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.463 -4.962 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.304 -3.500 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.203 -2.604 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.168 -2.444 -6.614 1.00 0.00 H new ATOM 1270 N PRO A 88 0.726 -6.134 -6.564 1.00 0.00 N ATOM 1271 CA PRO A 88 1.832 -6.975 -6.089 1.00 0.00 C ATOM 1272 C PRO A 88 3.083 -6.162 -5.770 1.00 0.00 C ATOM 1273 O PRO A 88 3.435 -5.236 -6.498 1.00 0.00 O ATOM 1274 CB PRO A 88 2.098 -7.921 -7.264 1.00 0.00 C ATOM 1275 CG PRO A 88 0.825 -7.940 -8.038 1.00 0.00 C ATOM 1276 CD PRO A 88 0.228 -6.571 -7.880 1.00 0.00 C ATOM 0 HA PRO A 88 1.579 -7.489 -5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.927 -7.567 -7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.363 -8.919 -6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.009 -8.167 -9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.149 -8.707 -7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.549 -5.898 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.861 -6.601 -7.908 1.00 0.00 H new ATOM 1284 N ALA A 89 3.749 -6.517 -4.671 1.00 0.00 N ATOM 1285 CA ALA A 89 4.963 -5.823 -4.255 1.00 0.00 C ATOM 1286 C ALA A 89 5.914 -5.671 -5.434 1.00 0.00 C ATOM 1287 O ALA A 89 6.386 -4.575 -5.732 1.00 0.00 O ATOM 1288 CB ALA A 89 5.638 -6.572 -3.114 1.00 0.00 C ATOM 0 H ALA A 89 3.467 -7.280 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 89 4.693 -4.829 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.542 -6.042 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.956 -6.634 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.899 -7.578 -3.443 1.00 0.00 H new ATOM 1294 N SER A 90 6.172 -6.786 -6.115 1.00 0.00 N ATOM 1295 CA SER A 90 7.043 -6.780 -7.279 1.00 0.00 C ATOM 1296 C SER A 90 6.530 -5.774 -8.301 1.00 0.00 C ATOM 1297 O SER A 90 7.291 -5.254 -9.117 1.00 0.00 O ATOM 1298 CB SER A 90 7.114 -8.175 -7.903 1.00 0.00 C ATOM 1299 OG SER A 90 7.466 -9.149 -6.936 1.00 0.00 O ATOM 0 H SER A 90 5.789 -7.701 -5.878 1.00 0.00 H new ATOM 0 HA SER A 90 8.046 -6.492 -6.965 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.150 -8.429 -8.345 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.846 -8.179 -8.711 1.00 0.00 H new ATOM 0 HG SER A 90 7.503 -10.032 -7.360 1.00 0.00 H new ATOM 1305 N ARG A 91 5.229 -5.491 -8.235 1.00 0.00 N ATOM 1306 CA ARG A 91 4.612 -4.531 -9.138 1.00 0.00 C ATOM 1307 C ARG A 91 4.699 -3.121 -8.559 1.00 0.00 C ATOM 1308 O ARG A 91 4.494 -2.136 -9.268 1.00 0.00 O ATOM 1309 CB ARG A 91 3.151 -4.907 -9.398 1.00 0.00 C ATOM 1310 CG ARG A 91 2.928 -5.587 -10.740 1.00 0.00 C ATOM 1311 CD ARG A 91 1.616 -5.155 -11.376 1.00 0.00 C ATOM 1312 NE ARG A 91 0.652 -6.251 -11.441 1.00 0.00 N ATOM 1313 CZ ARG A 91 -0.655 -6.080 -11.630 1.00 0.00 C ATOM 1314 NH1 ARG A 91 -1.158 -4.859 -11.773 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -1.461 -7.131 -11.677 1.00 0.00 N ATOM 0 H ARG A 91 4.586 -5.914 -7.565 1.00 0.00 H new ATOM 0 HA ARG A 91 5.152 -4.552 -10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.808 -5.569 -8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.539 -4.007 -9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.754 -5.349 -11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.929 -6.669 -10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.190 -4.331 -10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.807 -4.780 -12.381 1.00 0.00 H new ATOM 0 HE ARG A 91 1.001 -7.204 -11.335 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.542 -4.047 -11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.160 -4.734 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.080 -8.071 -11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.462 -7.000 -11.822 1.00 0.00 H new ATOM 1329 N ILE A 92 5.005 -3.030 -7.264 1.00 0.00 N ATOM 1330 CA ILE A 92 5.119 -1.738 -6.597 1.00 0.00 C ATOM 1331 C ILE A 92 6.581 -1.371 -6.364 1.00 0.00 C ATOM 1332 O ILE A 92 7.453 -2.239 -6.337 1.00 0.00 O ATOM 1333 CB ILE A 92 4.377 -1.732 -5.247 1.00 0.00 C ATOM 1334 CG1 ILE A 92 2.941 -2.231 -5.427 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.384 -0.336 -4.642 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.270 -2.620 -4.128 1.00 0.00 C ATOM 0 H ILE A 92 5.177 -3.834 -6.660 1.00 0.00 H new ATOM 0 HA ILE A 92 4.660 -1.000 -7.255 1.00 0.00 H new ATOM 0 HB ILE A 92 4.895 -2.405 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.352 -1.452 -5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.945 -3.091 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.856 -0.350 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.413 -0.014 -4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.888 0.357 -5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.256 -2.964 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.836 -3.420 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.234 -1.756 -3.464 1.00 0.00 H new ATOM 1348 N GLN A 93 6.842 -0.078 -6.197 1.00 0.00 N ATOM 1349 CA GLN A 93 8.200 0.405 -5.968 1.00 0.00 C ATOM 1350 C GLN A 93 8.258 1.301 -4.734 1.00 0.00 C ATOM 1351 O GLN A 93 7.227 1.738 -4.223 1.00 0.00 O ATOM 1352 CB GLN A 93 8.706 1.169 -7.193 1.00 0.00 C ATOM 1353 CG GLN A 93 9.519 0.313 -8.151 1.00 0.00 C ATOM 1354 CD GLN A 93 9.442 0.806 -9.582 1.00 0.00 C ATOM 1355 OE1 GLN A 93 10.450 1.194 -10.172 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.240 0.795 -10.149 1.00 0.00 N ATOM 0 H GLN A 93 6.132 0.654 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 93 8.842 -0.459 -5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.853 1.588 -7.727 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.317 2.008 -6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.560 0.304 -7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.162 -0.716 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.431 0.465 -9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.127 1.117 -11.110 1.00 0.00 H new ATOM 1365 N ARG A 94 9.471 1.571 -4.262 1.00 0.00 N ATOM 1366 CA ARG A 94 9.666 2.414 -3.089 1.00 0.00 C ATOM 1367 C ARG A 94 10.222 3.778 -3.487 1.00 0.00 C ATOM 1368 O ARG A 94 11.008 3.889 -4.426 1.00 0.00 O ATOM 1369 CB ARG A 94 10.612 1.734 -2.097 1.00 0.00 C ATOM 1370 CG ARG A 94 9.894 1.007 -0.970 1.00 0.00 C ATOM 1371 CD ARG A 94 10.256 1.579 0.394 1.00 0.00 C ATOM 1372 NE ARG A 94 11.026 0.633 1.199 1.00 0.00 N ATOM 1373 CZ ARG A 94 12.344 0.472 1.100 1.00 0.00 C ATOM 1374 NH1 ARG A 94 13.046 1.187 0.229 1.00 0.00 N ATOM 1375 NH2 ARG A 94 12.963 -0.409 1.875 1.00 0.00 N ATOM 0 H ARG A 94 10.334 1.217 -4.675 1.00 0.00 H new ATOM 0 HA ARG A 94 8.697 2.561 -2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.239 1.023 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.276 2.485 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.817 1.079 -1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.150 -0.052 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.832 2.495 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.344 1.850 0.927 1.00 0.00 H new ATOM 0 HE ARG A 94 10.523 0.061 1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.576 1.865 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.055 1.058 0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.429 -0.962 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.973 -0.533 1.800 1.00 0.00 H new ATOM 1389 N ILE A 95 9.809 4.814 -2.764 1.00 0.00 N ATOM 1390 CA ILE A 95 10.267 6.170 -3.040 1.00 0.00 C ATOM 1391 C ILE A 95 11.082 6.723 -1.875 1.00 0.00 C ATOM 1392 O ILE A 95 12.059 7.443 -2.076 1.00 0.00 O ATOM 1393 CB ILE A 95 9.085 7.118 -3.318 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.136 6.497 -4.345 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.591 8.468 -3.804 1.00 0.00 C ATOM 1396 CD1 ILE A 95 6.777 7.160 -4.389 1.00 0.00 C ATOM 0 H ILE A 95 9.158 4.740 -1.982 1.00 0.00 H new ATOM 0 HA ILE A 95 10.896 6.115 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 95 8.535 7.272 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.593 6.557 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.008 5.439 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.744 9.126 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.231 8.913 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.161 8.333 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.157 6.669 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.300 7.077 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.894 8.212 -4.648 1.00 0.00 H new