USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 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 -83:sc= 0.214 USER MOD Set 1.2: A 56 TYR OH : rot -81:sc= 0.658 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.135 K(o=-0.13,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= -0.416 (180deg=-1.36!) USER MOD Single : A 39 GLN : amide:sc= -0.724 K(o=-0.72,f=-1.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -109:sc= 0.0792 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.6) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 93:sc= 1.77 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 80:sc= -2 USER MOD Single : A 83 HIS : no HE2:sc= -4.64! C(o=-4.6!,f=-6.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 7.801 -3.122 0.798 1.00 0.00 N ATOM 331 CA ALA A 26 7.574 -1.897 1.555 1.00 0.00 C ATOM 332 C ALA A 26 6.816 -2.181 2.845 1.00 0.00 C ATOM 333 O ALA A 26 6.397 -3.311 3.096 1.00 0.00 O ATOM 334 CB ALA A 26 6.818 -0.886 0.707 1.00 0.00 C ATOM 0 HA ALA A 26 8.545 -1.478 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.655 0.024 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.400 -0.651 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.856 -1.305 0.412 1.00 0.00 H new ATOM 340 N GLU A 27 6.643 -1.148 3.664 1.00 0.00 N ATOM 341 CA GLU A 27 5.935 -1.287 4.931 1.00 0.00 C ATOM 342 C GLU A 27 4.768 -0.308 5.011 1.00 0.00 C ATOM 343 O GLU A 27 4.654 0.606 4.194 1.00 0.00 O ATOM 344 CB GLU A 27 6.892 -1.055 6.102 1.00 0.00 C ATOM 345 CG GLU A 27 7.811 0.141 5.910 1.00 0.00 C ATOM 346 CD GLU A 27 7.896 1.016 7.145 1.00 0.00 C ATOM 347 OE1 GLU A 27 7.045 1.918 7.294 1.00 0.00 O ATOM 348 OE2 GLU A 27 8.815 0.800 7.964 1.00 0.00 O ATOM 0 H GLU A 27 6.984 -0.206 3.472 1.00 0.00 H new ATOM 0 HA GLU A 27 5.540 -2.301 4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.310 -0.913 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.499 -1.949 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.809 -0.211 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.454 0.738 5.071 1.00 0.00 H new ATOM 355 N VAL A 28 3.905 -0.504 6.002 1.00 0.00 N ATOM 356 CA VAL A 28 2.747 0.362 6.190 1.00 0.00 C ATOM 357 C VAL A 28 3.162 1.721 6.743 1.00 0.00 C ATOM 358 O VAL A 28 3.597 1.829 7.889 1.00 0.00 O ATOM 359 CB VAL A 28 1.717 -0.275 7.142 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.448 0.561 7.196 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.405 -1.702 6.717 1.00 0.00 C ATOM 0 H VAL A 28 3.986 -1.255 6.687 1.00 0.00 H new ATOM 0 HA VAL A 28 2.289 0.496 5.210 1.00 0.00 H new ATOM 0 HB VAL A 28 2.148 -0.304 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.267 0.094 7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.687 1.562 7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.013 0.627 6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.676 -2.134 7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.997 -1.700 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.319 -2.296 6.738 1.00 0.00 H new ATOM 371 N GLY A 29 3.025 2.756 5.921 1.00 0.00 N ATOM 372 CA GLY A 29 3.391 4.095 6.346 1.00 0.00 C ATOM 373 C GLY A 29 4.592 4.635 5.594 1.00 0.00 C ATOM 374 O GLY A 29 5.339 5.462 6.118 1.00 0.00 O ATOM 0 H GLY A 29 2.667 2.692 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.543 4.764 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.609 4.087 7.414 1.00 0.00 H new ATOM 378 N ASP A 30 4.778 4.166 4.365 1.00 0.00 N ATOM 379 CA ASP A 30 5.897 4.608 3.541 1.00 0.00 C ATOM 380 C ASP A 30 5.445 4.877 2.108 1.00 0.00 C ATOM 381 O ASP A 30 4.563 4.195 1.588 1.00 0.00 O ATOM 382 CB ASP A 30 7.010 3.558 3.550 1.00 0.00 C ATOM 383 CG ASP A 30 8.391 4.180 3.636 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.661 4.891 4.627 1.00 0.00 O ATOM 385 OD2 ASP A 30 9.201 3.957 2.713 1.00 0.00 O ATOM 0 H ASP A 30 4.169 3.481 3.918 1.00 0.00 H new ATOM 0 HA ASP A 30 6.281 5.537 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.864 2.885 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.943 2.953 2.646 1.00 0.00 H new ATOM 390 N GLN A 31 6.057 5.875 1.478 1.00 0.00 N ATOM 391 CA GLN A 31 5.717 6.233 0.105 1.00 0.00 C ATOM 392 C GLN A 31 6.153 5.140 -0.866 1.00 0.00 C ATOM 393 O GLN A 31 7.259 4.608 -0.761 1.00 0.00 O ATOM 394 CB GLN A 31 6.370 7.565 -0.273 1.00 0.00 C ATOM 395 CG GLN A 31 5.370 8.679 -0.536 1.00 0.00 C ATOM 396 CD GLN A 31 5.559 9.866 0.387 1.00 0.00 C ATOM 397 OE1 GLN A 31 5.003 9.908 1.485 1.00 0.00 O ATOM 398 NE2 GLN A 31 6.347 10.840 -0.054 1.00 0.00 N ATOM 0 H GLN A 31 6.790 6.449 1.895 1.00 0.00 H new ATOM 0 HA GLN A 31 4.634 6.338 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.041 7.872 0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.983 7.420 -1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.465 9.010 -1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.359 8.289 -0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.788 10.764 -0.971 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.511 11.664 0.524 1.00 0.00 H new ATOM 407 N VAL A 32 5.277 4.810 -1.809 1.00 0.00 N ATOM 408 CA VAL A 32 5.572 3.780 -2.799 1.00 0.00 C ATOM 409 C VAL A 32 5.135 4.217 -4.192 1.00 0.00 C ATOM 410 O VAL A 32 4.602 5.312 -4.372 1.00 0.00 O ATOM 411 CB VAL A 32 4.879 2.451 -2.449 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.544 1.803 -1.244 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.396 2.672 -2.195 1.00 0.00 C ATOM 0 H VAL A 32 4.358 5.240 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 32 6.652 3.631 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 32 4.981 1.775 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.041 0.865 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.592 1.606 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.476 2.473 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.923 1.721 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.269 3.366 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.932 3.087 -3.089 1.00 0.00 H new ATOM 423 N LEU A 33 5.363 3.354 -5.177 1.00 0.00 N ATOM 424 CA LEU A 33 4.992 3.650 -6.556 1.00 0.00 C ATOM 425 C LEU A 33 4.375 2.428 -7.228 1.00 0.00 C ATOM 426 O LEU A 33 5.047 1.418 -7.437 1.00 0.00 O ATOM 427 CB LEU A 33 6.216 4.120 -7.345 1.00 0.00 C ATOM 428 CG LEU A 33 5.902 4.871 -8.640 1.00 0.00 C ATOM 429 CD1 LEU A 33 5.157 6.162 -8.342 1.00 0.00 C ATOM 430 CD2 LEU A 33 7.181 5.157 -9.413 1.00 0.00 C ATOM 0 H LEU A 33 5.803 2.443 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 33 4.249 4.447 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.816 4.766 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.829 3.252 -7.586 1.00 0.00 H new ATOM 0 HG LEU A 33 5.261 4.241 -9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.943 6.682 -9.276 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.222 5.933 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.772 6.798 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.939 5.692 -10.332 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.846 5.767 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.675 4.217 -9.660 1.00 0.00 H new ATOM 442 N VAL A 34 3.094 2.528 -7.564 1.00 0.00 N ATOM 443 CA VAL A 34 2.386 1.430 -8.213 1.00 0.00 C ATOM 444 C VAL A 34 2.619 1.441 -9.720 1.00 0.00 C ATOM 445 O VAL A 34 2.343 2.434 -10.393 1.00 0.00 O ATOM 446 CB VAL A 34 0.873 1.497 -7.938 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.180 0.243 -8.451 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.608 1.690 -6.453 1.00 0.00 C ATOM 0 H VAL A 34 2.524 3.358 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 34 2.783 0.506 -7.793 1.00 0.00 H new ATOM 0 HB VAL A 34 0.464 2.355 -8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.889 0.309 -8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.340 0.153 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.592 -0.632 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.467 1.735 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.032 0.854 -5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.069 2.619 -6.119 1.00 0.00 H new ATOM 458 N ALA A 35 3.129 0.331 -10.243 1.00 0.00 N ATOM 459 CA ALA A 35 3.399 0.212 -11.670 1.00 0.00 C ATOM 460 C ALA A 35 4.386 1.277 -12.135 1.00 0.00 C ATOM 461 O ALA A 35 4.387 1.668 -13.303 1.00 0.00 O ATOM 462 CB ALA A 35 2.103 0.308 -12.461 1.00 0.00 C ATOM 0 H ALA A 35 3.364 -0.499 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 35 3.850 -0.764 -11.849 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.319 0.218 -13.526 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.431 -0.495 -12.158 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.629 1.270 -12.267 1.00 0.00 H new ATOM 468 N GLY A 36 5.227 1.744 -11.216 1.00 0.00 N ATOM 469 CA GLY A 36 6.207 2.760 -11.554 1.00 0.00 C ATOM 470 C GLY A 36 5.575 4.004 -12.147 1.00 0.00 C ATOM 471 O GLY A 36 6.206 4.716 -12.929 1.00 0.00 O ATOM 0 H GLY A 36 5.247 1.437 -10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.766 3.032 -10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.923 2.347 -12.264 1.00 0.00 H new ATOM 475 N GLN A 37 4.327 4.267 -11.776 1.00 0.00 N ATOM 476 CA GLN A 37 3.610 5.434 -12.278 1.00 0.00 C ATOM 477 C GLN A 37 2.837 6.123 -11.159 1.00 0.00 C ATOM 478 O GLN A 37 3.194 7.219 -10.727 1.00 0.00 O ATOM 479 CB GLN A 37 2.654 5.027 -13.400 1.00 0.00 C ATOM 480 CG GLN A 37 3.350 4.395 -14.594 1.00 0.00 C ATOM 481 CD GLN A 37 2.452 3.440 -15.356 1.00 0.00 C ATOM 482 OE1 GLN A 37 1.303 3.214 -14.976 1.00 0.00 O ATOM 483 NE2 GLN A 37 2.973 2.874 -16.438 1.00 0.00 N ATOM 0 H GLN A 37 3.791 3.688 -11.130 1.00 0.00 H new ATOM 0 HA GLN A 37 4.344 6.137 -12.672 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.921 4.324 -13.004 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.104 5.907 -13.734 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.693 5.181 -15.267 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.236 3.860 -14.252 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.930 3.091 -16.716 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.416 2.223 -16.991 1.00 0.00 H new ATOM 492 N LYS A 38 1.776 5.472 -10.692 1.00 0.00 N ATOM 493 CA LYS A 38 0.952 6.023 -9.621 1.00 0.00 C ATOM 494 C LYS A 38 1.701 6.004 -8.293 1.00 0.00 C ATOM 495 O LYS A 38 2.172 4.957 -7.850 1.00 0.00 O ATOM 496 CB LYS A 38 -0.353 5.235 -9.496 1.00 0.00 C ATOM 497 CG LYS A 38 -1.131 5.134 -10.798 1.00 0.00 C ATOM 498 CD LYS A 38 -2.631 5.166 -10.554 1.00 0.00 C ATOM 499 CE LYS A 38 -3.383 5.666 -11.777 1.00 0.00 C ATOM 500 NZ LYS A 38 -2.841 6.962 -12.271 1.00 0.00 N ATOM 0 H LYS A 38 1.467 4.564 -11.038 1.00 0.00 H new ATOM 0 HA LYS A 38 0.720 7.058 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.128 4.230 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.982 5.708 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.851 5.957 -11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.864 4.210 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.980 4.167 -10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.849 5.811 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.322 4.921 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.438 5.784 -11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.600 7.502 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.465 7.509 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.079 6.781 -12.955 1.00 0.00 H new ATOM 514 N GLN A 39 1.808 7.169 -7.663 1.00 0.00 N ATOM 515 CA GLN A 39 2.500 7.286 -6.385 1.00 0.00 C ATOM 516 C GLN A 39 1.506 7.296 -5.228 1.00 0.00 C ATOM 517 O GLN A 39 0.538 8.056 -5.235 1.00 0.00 O ATOM 518 CB GLN A 39 3.349 8.559 -6.354 1.00 0.00 C ATOM 519 CG GLN A 39 4.389 8.570 -5.246 1.00 0.00 C ATOM 520 CD GLN A 39 4.364 9.850 -4.434 1.00 0.00 C ATOM 521 OE1 GLN A 39 4.123 9.829 -3.227 1.00 0.00 O ATOM 522 NE2 GLN A 39 4.612 10.974 -5.094 1.00 0.00 N ATOM 0 H GLN A 39 1.424 8.045 -8.017 1.00 0.00 H new ATOM 0 HA GLN A 39 3.153 6.420 -6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.852 8.674 -7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.692 9.421 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.218 7.721 -4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.380 8.440 -5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.807 10.945 -6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.608 11.867 -4.601 1.00 0.00 H new ATOM 531 N GLY A 40 1.753 6.447 -4.236 1.00 0.00 N ATOM 532 CA GLY A 40 0.871 6.375 -3.085 1.00 0.00 C ATOM 533 C GLY A 40 1.592 5.926 -1.829 1.00 0.00 C ATOM 534 O GLY A 40 2.814 5.776 -1.826 1.00 0.00 O ATOM 0 H GLY A 40 2.547 5.808 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.423 7.354 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.055 5.684 -3.299 1.00 0.00 H new ATOM 538 N ILE A 41 0.834 5.710 -0.759 1.00 0.00 N ATOM 539 CA ILE A 41 1.406 5.276 0.509 1.00 0.00 C ATOM 540 C ILE A 41 0.740 3.996 1.003 1.00 0.00 C ATOM 541 O ILE A 41 -0.479 3.848 0.920 1.00 0.00 O ATOM 542 CB ILE A 41 1.265 6.363 1.591 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.741 7.715 1.053 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.050 5.977 2.836 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.450 8.872 1.984 1.00 0.00 C ATOM 0 H ILE A 41 -0.179 5.829 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 41 2.464 5.087 0.329 1.00 0.00 H new ATOM 0 HB ILE A 41 0.213 6.450 1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.815 7.667 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.263 7.903 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.940 6.755 3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.669 5.034 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.104 5.865 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.815 9.798 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.375 8.946 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.951 8.706 2.938 1.00 0.00 H new ATOM 557 N VAL A 42 1.548 3.074 1.517 1.00 0.00 N ATOM 558 CA VAL A 42 1.035 1.807 2.025 1.00 0.00 C ATOM 559 C VAL A 42 0.184 2.022 3.272 1.00 0.00 C ATOM 560 O VAL A 42 0.687 2.437 4.316 1.00 0.00 O ATOM 561 CB VAL A 42 2.180 0.831 2.359 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.625 -0.535 2.734 1.00 0.00 C ATOM 563 CG2 VAL A 42 3.147 0.718 1.190 1.00 0.00 C ATOM 0 H VAL A 42 2.560 3.181 1.593 1.00 0.00 H new ATOM 0 HA VAL A 42 0.419 1.374 1.237 1.00 0.00 H new ATOM 0 HB VAL A 42 2.728 1.224 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.448 -1.211 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.978 -0.438 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.051 -0.936 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.948 0.024 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.615 0.350 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.572 1.698 0.973 1.00 0.00 H new ATOM 573 N ARG A 43 -1.109 1.736 3.156 1.00 0.00 N ATOM 574 CA ARG A 43 -2.030 1.898 4.274 1.00 0.00 C ATOM 575 C ARG A 43 -2.355 0.551 4.912 1.00 0.00 C ATOM 576 O ARG A 43 -2.597 0.466 6.116 1.00 0.00 O ATOM 577 CB ARG A 43 -3.319 2.577 3.805 1.00 0.00 C ATOM 578 CG ARG A 43 -3.104 3.982 3.267 1.00 0.00 C ATOM 579 CD ARG A 43 -3.299 5.031 4.351 1.00 0.00 C ATOM 580 NE ARG A 43 -2.713 6.317 3.981 1.00 0.00 N ATOM 581 CZ ARG A 43 -3.034 7.472 4.560 1.00 0.00 C ATOM 582 NH1 ARG A 43 -3.933 7.506 5.536 1.00 0.00 N ATOM 583 NH2 ARG A 43 -2.453 8.595 4.163 1.00 0.00 N ATOM 0 H ARG A 43 -1.542 1.391 2.299 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.547 2.526 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.780 1.966 3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.022 2.619 4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.098 4.065 2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.799 4.170 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.364 5.160 4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.848 4.681 5.279 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.017 6.331 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.382 6.644 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.175 8.394 5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.761 8.574 3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.698 9.480 4.606 1.00 0.00 H new ATOM 597 N PHE A 44 -2.357 -0.499 4.098 1.00 0.00 N ATOM 598 CA PHE A 44 -2.651 -1.842 4.584 1.00 0.00 C ATOM 599 C PHE A 44 -1.847 -2.886 3.817 1.00 0.00 C ATOM 600 O PHE A 44 -2.015 -3.050 2.609 1.00 0.00 O ATOM 601 CB PHE A 44 -4.146 -2.138 4.454 1.00 0.00 C ATOM 602 CG PHE A 44 -4.542 -3.479 5.004 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.744 -3.652 6.364 1.00 0.00 C ATOM 604 CD2 PHE A 44 -4.710 -4.566 4.161 1.00 0.00 C ATOM 605 CE1 PHE A 44 -5.107 -4.885 6.873 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.073 -5.801 4.665 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.272 -5.961 6.022 1.00 0.00 C ATOM 0 H PHE A 44 -2.158 -0.446 3.099 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.367 -1.891 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.708 -1.361 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.428 -2.088 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.616 -2.814 7.034 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.556 -4.447 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.261 -5.007 7.935 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.201 -6.640 3.998 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.556 -6.925 6.417 1.00 0.00 H new ATOM 617 N TYR A 45 -0.972 -3.592 4.527 1.00 0.00 N ATOM 618 CA TYR A 45 -0.142 -4.622 3.914 1.00 0.00 C ATOM 619 C TYR A 45 -0.497 -6.002 4.457 1.00 0.00 C ATOM 620 O TYR A 45 -0.350 -6.266 5.650 1.00 0.00 O ATOM 621 CB TYR A 45 1.339 -4.328 4.162 1.00 0.00 C ATOM 622 CG TYR A 45 2.271 -5.340 3.533 1.00 0.00 C ATOM 623 CD1 TYR A 45 2.071 -5.781 2.231 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.350 -5.852 4.242 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.921 -6.706 1.654 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.205 -6.777 3.672 1.00 0.00 C ATOM 627 CZ TYR A 45 3.985 -7.200 2.378 1.00 0.00 C ATOM 628 OH TYR A 45 4.833 -8.121 1.807 1.00 0.00 O ATOM 0 H TYR A 45 -0.820 -3.469 5.528 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.332 -4.615 2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.575 -3.338 3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.520 -4.298 5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.239 -5.395 1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.524 -5.522 5.256 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.752 -7.040 0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.040 -7.166 4.236 1.00 0.00 H new ATOM 0 HH TYR A 45 4.445 -9.017 1.889 1.00 0.00 H new ATOM 638 N GLY A 46 -0.964 -6.877 3.573 1.00 0.00 N ATOM 639 CA GLY A 46 -1.334 -8.219 3.982 1.00 0.00 C ATOM 640 C GLY A 46 -1.986 -9.008 2.864 1.00 0.00 C ATOM 641 O GLY A 46 -2.311 -8.455 1.813 1.00 0.00 O ATOM 0 H GLY A 46 -1.093 -6.681 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.445 -8.749 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.018 -8.162 4.829 1.00 0.00 H new ATOM 645 N LYS A 47 -2.177 -10.304 3.090 1.00 0.00 N ATOM 646 CA LYS A 47 -2.793 -11.170 2.092 1.00 0.00 C ATOM 647 C LYS A 47 -4.245 -10.771 1.847 1.00 0.00 C ATOM 648 O LYS A 47 -4.929 -10.293 2.752 1.00 0.00 O ATOM 649 CB LYS A 47 -2.724 -12.631 2.542 1.00 0.00 C ATOM 650 CG LYS A 47 -1.322 -13.091 2.903 1.00 0.00 C ATOM 651 CD LYS A 47 -1.341 -14.448 3.588 1.00 0.00 C ATOM 652 CE LYS A 47 0.066 -14.978 3.813 1.00 0.00 C ATOM 653 NZ LYS A 47 0.064 -16.252 4.586 1.00 0.00 N ATOM 0 H LYS A 47 -1.914 -10.777 3.955 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.241 -11.057 1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.376 -12.768 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.112 -13.266 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.712 -13.146 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.855 -12.357 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.858 -14.367 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.905 -15.156 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.552 -15.138 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.654 -14.231 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.042 -16.580 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.376 -16.094 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.475 -16.973 4.066 1.00 0.00 H new ATOM 667 N THR A 48 -4.709 -10.972 0.618 1.00 0.00 N ATOM 668 CA THR A 48 -6.079 -10.634 0.253 1.00 0.00 C ATOM 669 C THR A 48 -6.948 -11.886 0.181 1.00 0.00 C ATOM 670 O THR A 48 -6.485 -12.990 0.469 1.00 0.00 O ATOM 671 CB THR A 48 -6.105 -9.902 -1.090 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.070 -10.369 -1.936 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.950 -8.403 -0.958 1.00 0.00 C ATOM 0 H THR A 48 -4.156 -11.368 -0.142 1.00 0.00 H new ATOM 0 HA THR A 48 -6.483 -9.978 1.024 1.00 0.00 H new ATOM 0 HB THR A 48 -7.087 -10.113 -1.514 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.380 -9.679 -2.020 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.977 -7.946 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.764 -8.005 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.997 -8.176 -0.480 1.00 0.00 H new ATOM 681 N ASP A 49 -8.207 -11.706 -0.203 1.00 0.00 N ATOM 682 CA ASP A 49 -9.139 -12.822 -0.312 1.00 0.00 C ATOM 683 C ASP A 49 -9.460 -13.125 -1.772 1.00 0.00 C ATOM 684 O ASP A 49 -9.711 -14.273 -2.138 1.00 0.00 O ATOM 685 CB ASP A 49 -10.428 -12.513 0.451 1.00 0.00 C ATOM 686 CG ASP A 49 -11.183 -13.768 0.845 1.00 0.00 C ATOM 687 OD1 ASP A 49 -10.536 -14.721 1.330 1.00 0.00 O ATOM 688 OD2 ASP A 49 -12.418 -13.798 0.668 1.00 0.00 O ATOM 0 H ASP A 49 -8.605 -10.798 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.666 -13.701 0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.188 -11.941 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.070 -11.885 -0.166 1.00 0.00 H new ATOM 693 N PHE A 50 -9.449 -12.087 -2.603 1.00 0.00 N ATOM 694 CA PHE A 50 -9.739 -12.243 -4.023 1.00 0.00 C ATOM 695 C PHE A 50 -8.518 -12.762 -4.776 1.00 0.00 C ATOM 696 O PHE A 50 -8.648 -13.475 -5.771 1.00 0.00 O ATOM 697 CB PHE A 50 -10.194 -10.911 -4.622 1.00 0.00 C ATOM 698 CG PHE A 50 -9.270 -9.767 -4.315 1.00 0.00 C ATOM 699 CD1 PHE A 50 -8.082 -9.614 -5.011 1.00 0.00 C ATOM 700 CD2 PHE A 50 -9.590 -8.846 -3.330 1.00 0.00 C ATOM 701 CE1 PHE A 50 -7.231 -8.562 -4.730 1.00 0.00 C ATOM 702 CE2 PHE A 50 -8.741 -7.792 -3.045 1.00 0.00 C ATOM 703 CZ PHE A 50 -7.561 -7.651 -3.746 1.00 0.00 C ATOM 0 H PHE A 50 -9.242 -11.130 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.542 -12.973 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.279 -11.019 -5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.189 -10.674 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.818 -10.324 -5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.513 -8.953 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.308 -8.452 -5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.001 -7.081 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.896 -6.829 -3.525 1.00 0.00 H new ATOM 713 N ALA A 51 -7.333 -12.398 -4.297 1.00 0.00 N ATOM 714 CA ALA A 51 -6.091 -12.828 -4.928 1.00 0.00 C ATOM 715 C ALA A 51 -5.082 -13.308 -3.885 1.00 0.00 C ATOM 716 O ALA A 51 -4.955 -12.714 -2.815 1.00 0.00 O ATOM 717 CB ALA A 51 -5.501 -11.696 -5.754 1.00 0.00 C ATOM 0 H ALA A 51 -7.207 -11.807 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.318 -13.665 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.574 -12.030 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.210 -11.402 -6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.295 -10.843 -5.108 1.00 0.00 H new ATOM 723 N PRO A 52 -4.347 -14.395 -4.186 1.00 0.00 N ATOM 724 CA PRO A 52 -3.349 -14.949 -3.267 1.00 0.00 C ATOM 725 C PRO A 52 -2.062 -14.132 -3.250 1.00 0.00 C ATOM 726 O PRO A 52 -1.842 -13.282 -4.112 1.00 0.00 O ATOM 727 CB PRO A 52 -3.092 -16.342 -3.838 1.00 0.00 C ATOM 728 CG PRO A 52 -3.342 -16.199 -5.300 1.00 0.00 C ATOM 729 CD PRO A 52 -4.433 -15.169 -5.440 1.00 0.00 C ATOM 0 HA PRO A 52 -3.695 -14.951 -2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.071 -16.670 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.757 -17.082 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.438 -15.882 -5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.645 -17.150 -5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.276 -14.536 -6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.411 -15.635 -5.556 1.00 0.00 H new ATOM 737 N GLY A 53 -1.212 -14.398 -2.263 1.00 0.00 N ATOM 738 CA GLY A 53 0.044 -13.681 -2.153 1.00 0.00 C ATOM 739 C GLY A 53 -0.062 -12.454 -1.268 1.00 0.00 C ATOM 740 O GLY A 53 -1.052 -12.276 -0.558 1.00 0.00 O ATOM 0 H GLY A 53 -1.371 -15.097 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.806 -14.349 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.375 -13.380 -3.147 1.00 0.00 H new ATOM 744 N TYR A 54 0.961 -11.606 -1.310 1.00 0.00 N ATOM 745 CA TYR A 54 0.980 -10.390 -0.506 1.00 0.00 C ATOM 746 C TYR A 54 0.665 -9.168 -1.363 1.00 0.00 C ATOM 747 O TYR A 54 1.330 -8.912 -2.366 1.00 0.00 O ATOM 748 CB TYR A 54 2.343 -10.218 0.165 1.00 0.00 C ATOM 749 CG TYR A 54 2.582 -11.178 1.308 1.00 0.00 C ATOM 750 CD1 TYR A 54 2.791 -12.531 1.073 1.00 0.00 C ATOM 751 CD2 TYR A 54 2.597 -10.731 2.624 1.00 0.00 C ATOM 752 CE1 TYR A 54 3.009 -13.411 2.114 1.00 0.00 C ATOM 753 CE2 TYR A 54 2.815 -11.607 3.672 1.00 0.00 C ATOM 754 CZ TYR A 54 3.021 -12.945 3.411 1.00 0.00 C ATOM 755 OH TYR A 54 3.237 -13.819 4.451 1.00 0.00 O ATOM 0 H TYR A 54 1.788 -11.739 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 54 0.213 -10.481 0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.126 -10.354 -0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.430 -9.197 0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.783 -12.901 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.436 -9.683 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.169 -14.460 1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.824 -11.245 4.689 1.00 0.00 H new ATOM 0 HH TYR A 54 3.215 -13.329 5.300 1.00 0.00 H new ATOM 765 N TRP A 55 -0.355 -8.416 -0.959 1.00 0.00 N ATOM 766 CA TRP A 55 -0.759 -7.220 -1.690 1.00 0.00 C ATOM 767 C TRP A 55 -0.595 -5.974 -0.826 1.00 0.00 C ATOM 768 O TRP A 55 -0.517 -6.062 0.400 1.00 0.00 O ATOM 769 CB TRP A 55 -2.212 -7.346 -2.152 1.00 0.00 C ATOM 770 CG TRP A 55 -2.421 -8.433 -3.162 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.543 -9.770 -2.913 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.532 -8.277 -4.580 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.723 -10.454 -4.090 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.720 -9.560 -5.129 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.491 -7.175 -5.441 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.866 -9.771 -6.497 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.636 -7.386 -6.799 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.823 -8.675 -7.316 1.00 0.00 C ATOM 0 H TRP A 55 -0.916 -8.614 -0.130 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.114 -7.123 -2.563 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.846 -7.537 -1.286 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.534 -6.396 -2.579 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.504 -10.223 -1.934 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.840 -11.464 -4.177 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.349 -6.178 -5.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.008 -10.764 -6.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.605 -6.543 -7.473 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.935 -8.806 -8.382 1.00 0.00 H new ATOM 789 N TYR A 56 -0.541 -4.814 -1.472 1.00 0.00 N ATOM 790 CA TYR A 56 -0.385 -3.549 -0.762 1.00 0.00 C ATOM 791 C TYR A 56 -1.584 -2.637 -1.002 1.00 0.00 C ATOM 792 O TYR A 56 -1.836 -2.210 -2.128 1.00 0.00 O ATOM 793 CB TYR A 56 0.900 -2.846 -1.204 1.00 0.00 C ATOM 794 CG TYR A 56 2.156 -3.629 -0.895 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.400 -4.855 -1.500 1.00 0.00 C ATOM 796 CD2 TYR A 56 3.097 -3.140 0.002 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.548 -5.572 -1.220 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.248 -3.852 0.287 1.00 0.00 C ATOM 799 CZ TYR A 56 4.468 -5.067 -0.327 1.00 0.00 C ATOM 800 OH TYR A 56 5.612 -5.778 -0.046 1.00 0.00 O ATOM 0 H TYR A 56 -0.603 -4.723 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.324 -3.767 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.852 -2.661 -2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.959 -1.874 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.681 -5.254 -2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.927 -2.189 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.723 -6.524 -1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.971 -3.459 0.987 1.00 0.00 H new ATOM 0 HH TYR A 56 5.410 -6.478 0.610 1.00 0.00 H new ATOM 810 N GLY A 57 -2.320 -2.344 0.065 1.00 0.00 N ATOM 811 CA GLY A 57 -3.483 -1.483 -0.052 1.00 0.00 C ATOM 812 C GLY A 57 -3.117 -0.012 -0.044 1.00 0.00 C ATOM 813 O GLY A 57 -3.409 0.703 0.914 1.00 0.00 O ATOM 0 H GLY A 57 -2.133 -2.687 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.014 -1.717 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.168 -1.689 0.771 1.00 0.00 H new ATOM 817 N ILE A 58 -2.474 0.441 -1.115 1.00 0.00 N ATOM 818 CA ILE A 58 -2.066 1.837 -1.229 1.00 0.00 C ATOM 819 C ILE A 58 -3.258 2.733 -1.551 1.00 0.00 C ATOM 820 O ILE A 58 -4.133 2.361 -2.332 1.00 0.00 O ATOM 821 CB ILE A 58 -0.990 2.023 -2.316 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.150 1.020 -2.119 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.458 3.449 -2.297 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.615 0.376 -3.406 1.00 0.00 C ATOM 0 H ILE A 58 -2.224 -0.138 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.648 2.124 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.445 1.838 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.993 1.528 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.177 0.241 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.301 3.564 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.276 4.145 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.018 3.660 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.424 -0.323 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.215 -0.160 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.972 1.146 -4.090 1.00 0.00 H new ATOM 836 N GLU A 59 -3.284 3.915 -0.944 1.00 0.00 N ATOM 837 CA GLU A 59 -4.367 4.865 -1.166 1.00 0.00 C ATOM 838 C GLU A 59 -3.907 6.018 -2.051 1.00 0.00 C ATOM 839 O GLU A 59 -2.984 6.753 -1.700 1.00 0.00 O ATOM 840 CB GLU A 59 -4.881 5.406 0.170 1.00 0.00 C ATOM 841 CG GLU A 59 -6.165 6.210 0.047 1.00 0.00 C ATOM 842 CD GLU A 59 -6.141 7.476 0.879 1.00 0.00 C ATOM 843 OE1 GLU A 59 -5.057 8.084 1.006 1.00 0.00 O ATOM 844 OE2 GLU A 59 -7.207 7.862 1.404 1.00 0.00 O ATOM 0 H GLU A 59 -2.567 4.238 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.177 4.342 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.049 4.571 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.111 6.033 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.328 6.470 -0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.008 5.592 0.357 1.00 0.00 H new ATOM 851 N LEU A 60 -4.556 6.170 -3.202 1.00 0.00 N ATOM 852 CA LEU A 60 -4.212 7.235 -4.137 1.00 0.00 C ATOM 853 C LEU A 60 -4.783 8.571 -3.675 1.00 0.00 C ATOM 854 O LEU A 60 -5.552 8.631 -2.716 1.00 0.00 O ATOM 855 CB LEU A 60 -4.734 6.902 -5.536 1.00 0.00 C ATOM 856 CG LEU A 60 -4.027 5.737 -6.231 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.736 5.380 -7.528 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.570 6.083 -6.496 1.00 0.00 C ATOM 0 H LEU A 60 -5.322 5.570 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.126 7.317 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.797 6.672 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.641 7.789 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.061 4.869 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.219 4.549 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.765 5.091 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.733 6.243 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.081 5.244 -6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.516 6.964 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.068 6.290 -5.551 1.00 0.00 H new ATOM 870 N ASP A 61 -4.400 9.642 -4.363 1.00 0.00 N ATOM 871 CA ASP A 61 -4.873 10.979 -4.024 1.00 0.00 C ATOM 872 C ASP A 61 -5.986 11.419 -4.971 1.00 0.00 C ATOM 873 O ASP A 61 -6.860 12.201 -4.597 1.00 0.00 O ATOM 874 CB ASP A 61 -3.717 11.980 -4.073 1.00 0.00 C ATOM 875 CG ASP A 61 -3.726 12.931 -2.892 1.00 0.00 C ATOM 876 OD1 ASP A 61 -3.571 12.456 -1.747 1.00 0.00 O ATOM 877 OD2 ASP A 61 -3.886 14.149 -3.112 1.00 0.00 O ATOM 0 H ASP A 61 -3.763 9.610 -5.159 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.274 10.950 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.771 11.438 -4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.775 12.553 -4.998 1.00 0.00 H new ATOM 882 N GLN A 62 -5.947 10.912 -6.200 1.00 0.00 N ATOM 883 CA GLN A 62 -6.953 11.253 -7.199 1.00 0.00 C ATOM 884 C GLN A 62 -7.907 10.085 -7.433 1.00 0.00 C ATOM 885 O GLN A 62 -7.557 8.930 -7.194 1.00 0.00 O ATOM 886 CB GLN A 62 -6.280 11.648 -8.516 1.00 0.00 C ATOM 887 CG GLN A 62 -5.280 10.619 -9.019 1.00 0.00 C ATOM 888 CD GLN A 62 -3.842 11.050 -8.806 1.00 0.00 C ATOM 889 OE1 GLN A 62 -3.541 12.242 -8.748 1.00 0.00 O ATOM 890 NE2 GLN A 62 -2.945 10.078 -8.689 1.00 0.00 N ATOM 0 H GLN A 62 -5.230 10.264 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.529 12.099 -6.824 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.047 11.799 -9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.771 12.603 -8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.451 9.672 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.449 10.443 -10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.240 9.103 -8.743 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.961 10.306 -8.545 1.00 0.00 H new ATOM 899 N PRO A 63 -9.132 10.373 -7.906 1.00 0.00 N ATOM 900 CA PRO A 63 -10.138 9.339 -8.172 1.00 0.00 C ATOM 901 C PRO A 63 -9.770 8.468 -9.368 1.00 0.00 C ATOM 902 O PRO A 63 -10.399 8.542 -10.424 1.00 0.00 O ATOM 903 CB PRO A 63 -11.406 10.145 -8.466 1.00 0.00 C ATOM 904 CG PRO A 63 -10.914 11.462 -8.958 1.00 0.00 C ATOM 905 CD PRO A 63 -9.631 11.725 -8.219 1.00 0.00 C ATOM 0 HA PRO A 63 -10.242 8.646 -7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.025 9.650 -9.214 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.018 10.260 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.747 11.439 -10.035 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.644 12.248 -8.765 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.922 12.283 -8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.801 12.310 -7.315 1.00 0.00 H new ATOM 913 N THR A 64 -8.744 7.639 -9.195 1.00 0.00 N ATOM 914 CA THR A 64 -8.291 6.752 -10.261 1.00 0.00 C ATOM 915 C THR A 64 -7.738 5.451 -9.686 1.00 0.00 C ATOM 916 O THR A 64 -6.694 4.963 -10.120 1.00 0.00 O ATOM 917 CB THR A 64 -7.223 7.445 -11.109 1.00 0.00 C ATOM 918 OG1 THR A 64 -6.038 7.645 -10.360 1.00 0.00 O ATOM 919 CG2 THR A 64 -7.663 8.792 -11.640 1.00 0.00 C ATOM 0 H THR A 64 -8.212 7.563 -8.328 1.00 0.00 H new ATOM 0 HA THR A 64 -9.147 6.514 -10.892 1.00 0.00 H new ATOM 0 HB THR A 64 -7.048 6.778 -11.953 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.367 8.088 -10.921 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.860 9.230 -12.233 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.547 8.666 -12.265 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.899 9.452 -10.806 1.00 0.00 H new ATOM 927 N GLY A 65 -8.443 4.894 -8.708 1.00 0.00 N ATOM 928 CA GLY A 65 -8.007 3.655 -8.091 1.00 0.00 C ATOM 929 C GLY A 65 -8.669 2.437 -8.702 1.00 0.00 C ATOM 930 O GLY A 65 -8.650 2.258 -9.920 1.00 0.00 O ATOM 0 H GLY A 65 -9.309 5.278 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.925 3.565 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.227 3.687 -7.024 1.00 0.00 H new ATOM 934 N LYS A 66 -9.257 1.598 -7.857 1.00 0.00 N ATOM 935 CA LYS A 66 -9.929 0.389 -8.321 1.00 0.00 C ATOM 936 C LYS A 66 -11.109 0.043 -7.417 1.00 0.00 C ATOM 937 O LYS A 66 -12.220 -0.192 -7.892 1.00 0.00 O ATOM 938 CB LYS A 66 -8.945 -0.781 -8.367 1.00 0.00 C ATOM 939 CG LYS A 66 -8.321 -0.997 -9.736 1.00 0.00 C ATOM 940 CD LYS A 66 -9.254 -1.765 -10.658 1.00 0.00 C ATOM 941 CE LYS A 66 -8.914 -3.247 -10.689 1.00 0.00 C ATOM 942 NZ LYS A 66 -10.136 -4.098 -10.688 1.00 0.00 N ATOM 0 H LYS A 66 -9.282 1.732 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.307 0.575 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.153 -0.607 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.462 -1.692 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.079 -0.033 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.384 -1.543 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.284 -1.634 -10.326 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.190 -1.355 -11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.321 -3.465 -11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.298 -3.496 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.861 -5.101 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.690 -3.909 -9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.712 -3.879 -11.526 1.00 0.00 H new ATOM 956 N HIS A 67 -10.859 0.016 -6.112 1.00 0.00 N ATOM 957 CA HIS A 67 -11.899 -0.300 -5.140 1.00 0.00 C ATOM 958 C HIS A 67 -12.051 0.826 -4.123 1.00 0.00 C ATOM 959 O HIS A 67 -11.215 1.728 -4.051 1.00 0.00 O ATOM 960 CB HIS A 67 -11.575 -1.610 -4.421 1.00 0.00 C ATOM 961 CG HIS A 67 -10.209 -1.634 -3.808 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.976 -1.662 -2.451 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.985 -1.635 -4.398 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.649 -1.677 -2.262 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.003 -1.663 -3.411 1.00 0.00 N ATOM 0 H HIS A 67 -9.945 0.209 -5.703 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.841 -0.412 -5.677 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.317 -1.780 -3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.661 -2.434 -5.129 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.803 -1.617 -5.462 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.171 -1.698 -1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.992 -1.671 -3.549 1.00 0.00 H new ATOM 973 N ASP A 68 -13.123 0.770 -3.340 1.00 0.00 N ATOM 974 CA ASP A 68 -13.383 1.786 -2.328 1.00 0.00 C ATOM 975 C ASP A 68 -12.937 1.308 -0.949 1.00 0.00 C ATOM 976 O ASP A 68 -13.525 1.676 0.067 1.00 0.00 O ATOM 977 CB ASP A 68 -14.871 2.140 -2.302 1.00 0.00 C ATOM 978 CG ASP A 68 -15.753 0.919 -2.129 1.00 0.00 C ATOM 979 OD1 ASP A 68 -15.707 0.024 -2.999 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.490 0.856 -1.122 1.00 0.00 O ATOM 0 H ASP A 68 -13.825 0.032 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.809 2.676 -2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.061 2.840 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.137 2.648 -3.229 1.00 0.00 H new ATOM 985 N GLY A 69 -11.895 0.483 -0.924 1.00 0.00 N ATOM 986 CA GLY A 69 -11.389 -0.032 0.335 1.00 0.00 C ATOM 987 C GLY A 69 -11.861 -1.445 0.615 1.00 0.00 C ATOM 988 O GLY A 69 -11.182 -2.209 1.302 1.00 0.00 O ATOM 0 H GLY A 69 -11.393 0.162 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.299 -0.012 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.709 0.622 1.146 1.00 0.00 H new ATOM 992 N SER A 70 -13.028 -1.794 0.082 1.00 0.00 N ATOM 993 CA SER A 70 -13.591 -3.124 0.278 1.00 0.00 C ATOM 994 C SER A 70 -13.841 -3.811 -1.061 1.00 0.00 C ATOM 995 O SER A 70 -14.292 -3.182 -2.017 1.00 0.00 O ATOM 996 CB SER A 70 -14.896 -3.037 1.072 1.00 0.00 C ATOM 997 OG SER A 70 -15.792 -2.114 0.478 1.00 0.00 O ATOM 0 H SER A 70 -13.602 -1.173 -0.489 1.00 0.00 H new ATOM 0 HA SER A 70 -12.871 -3.717 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.362 -4.021 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.683 -2.734 2.097 1.00 0.00 H new ATOM 0 HG SER A 70 -16.619 -2.077 1.002 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.546 -5.106 -1.121 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.739 -5.878 -2.342 1.00 0.00 C ATOM 1005 C VAL A 71 -14.617 -7.098 -2.085 1.00 0.00 C ATOM 1006 O VAL A 71 -14.250 -7.991 -1.321 1.00 0.00 O ATOM 1007 CB VAL A 71 -12.395 -6.342 -2.932 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -12.600 -6.970 -4.302 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -11.417 -5.179 -3.011 1.00 0.00 C ATOM 0 H VAL A 71 -13.172 -5.642 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.233 -5.221 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.972 -7.099 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.639 -7.292 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.262 -7.831 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.047 -6.238 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.473 -5.526 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.832 -4.398 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.245 -4.780 -2.011 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.778 -7.131 -2.731 1.00 0.00 N ATOM 1020 CA PHE A 72 -16.710 -8.242 -2.574 1.00 0.00 C ATOM 1021 C PHE A 72 -17.166 -8.369 -1.124 1.00 0.00 C ATOM 1022 O PHE A 72 -17.457 -9.467 -0.649 1.00 0.00 O ATOM 1023 CB PHE A 72 -16.059 -9.549 -3.031 1.00 0.00 C ATOM 1024 CG PHE A 72 -15.394 -9.450 -4.375 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -16.066 -8.906 -5.457 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -14.095 -9.900 -4.554 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -15.457 -8.814 -6.695 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -13.481 -9.810 -5.789 1.00 0.00 C ATOM 1029 CZ PHE A 72 -14.162 -9.266 -6.860 1.00 0.00 C ATOM 0 H PHE A 72 -16.096 -6.401 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.583 -8.041 -3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -15.320 -9.856 -2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.818 -10.331 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.078 -8.549 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.557 -10.325 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.993 -8.390 -7.531 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.469 -10.165 -5.916 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.683 -9.194 -7.825 1.00 0.00 H new ATOM 1039 N GLY A 73 -17.228 -7.240 -0.426 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.651 -7.248 0.962 1.00 0.00 C ATOM 1041 C GLY A 73 -16.481 -7.222 1.925 1.00 0.00 C ATOM 1042 O GLY A 73 -16.598 -6.717 3.042 1.00 0.00 O ATOM 0 H GLY A 73 -16.993 -6.319 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.290 -6.385 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.253 -8.137 1.150 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.348 -7.767 1.492 1.00 0.00 N ATOM 1047 CA VAL A 74 -14.152 -7.804 2.324 1.00 0.00 C ATOM 1048 C VAL A 74 -13.465 -6.443 2.359 1.00 0.00 C ATOM 1049 O VAL A 74 -13.094 -5.896 1.321 1.00 0.00 O ATOM 1050 CB VAL A 74 -13.149 -8.858 1.819 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -12.004 -9.023 2.806 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.848 -10.187 1.576 1.00 0.00 C ATOM 0 H VAL A 74 -15.234 -8.189 0.570 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.475 -8.072 3.330 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.734 -8.513 0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.306 -9.772 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.486 -8.071 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.398 -9.344 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.124 -10.919 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.293 -10.540 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.629 -10.056 0.827 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.300 -5.900 3.561 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.657 -4.602 3.732 1.00 0.00 C ATOM 1064 C ARG A 75 -11.173 -4.766 4.042 1.00 0.00 C ATOM 1065 O ARG A 75 -10.769 -5.723 4.703 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.341 -3.815 4.851 1.00 0.00 C ATOM 1067 CG ARG A 75 -12.856 -2.378 4.968 1.00 0.00 C ATOM 1068 CD ARG A 75 -12.713 -1.952 6.420 1.00 0.00 C ATOM 1069 NE ARG A 75 -11.660 -0.955 6.598 1.00 0.00 N ATOM 1070 CZ ARG A 75 -11.090 -0.680 7.769 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -11.468 -1.323 8.867 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -10.139 0.242 7.842 1.00 0.00 N ATOM 0 H ARG A 75 -13.603 -6.339 4.431 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.754 -4.050 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.417 -3.814 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.171 -4.325 5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.896 -2.275 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.557 -1.715 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.661 -1.545 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.493 -2.825 7.034 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.343 -0.440 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.199 -2.032 8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.027 -1.108 9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.845 0.739 7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.702 0.454 8.739 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.366 -3.825 3.562 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.926 -3.864 3.788 1.00 0.00 C ATOM 1088 C TYR A 76 -8.452 -2.598 4.494 1.00 0.00 C ATOM 1089 O TYR A 76 -7.666 -2.659 5.440 1.00 0.00 O ATOM 1090 CB TYR A 76 -8.184 -4.030 2.461 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.608 -5.254 1.679 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.668 -5.195 0.782 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.950 -6.466 1.838 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -10.059 -6.310 0.065 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.336 -7.586 1.125 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.389 -7.503 0.241 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.777 -8.616 -0.470 1.00 0.00 O ATOM 0 H TYR A 76 -10.685 -3.026 3.014 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.707 -4.719 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.348 -3.143 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.113 -4.088 2.658 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.195 -4.263 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.123 -6.535 2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.884 -6.248 -0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.814 -8.522 1.261 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.249 -8.679 -1.293 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.934 -1.450 4.027 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.560 -0.169 4.615 1.00 0.00 C ATOM 1109 C PHE A 77 -9.547 0.922 4.214 1.00 0.00 C ATOM 1110 O PHE A 77 -10.339 0.747 3.288 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.146 0.222 4.182 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.947 0.211 2.693 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.774 -0.985 2.013 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -6.934 1.395 1.973 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.590 -0.998 0.643 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.750 1.386 0.604 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.579 0.189 -0.062 1.00 0.00 C ATOM 0 H PHE A 77 -9.584 -1.381 3.244 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.584 -0.275 5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.921 1.218 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.432 -0.463 4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.783 -1.916 2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.069 2.335 2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.455 -1.936 0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.740 2.316 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.437 0.181 -1.133 1.00 0.00 H new ATOM 1127 N THR A 78 -9.494 2.049 4.918 1.00 0.00 N ATOM 1128 CA THR A 78 -10.383 3.169 4.635 1.00 0.00 C ATOM 1129 C THR A 78 -9.765 4.110 3.608 1.00 0.00 C ATOM 1130 O THR A 78 -8.876 4.899 3.929 1.00 0.00 O ATOM 1131 CB THR A 78 -10.696 3.935 5.923 1.00 0.00 C ATOM 1132 OG1 THR A 78 -10.726 3.056 7.033 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.020 4.665 5.878 1.00 0.00 C ATOM 0 H THR A 78 -8.845 2.210 5.688 1.00 0.00 H new ATOM 0 HA THR A 78 -11.309 2.770 4.222 1.00 0.00 H new ATOM 0 HB THR A 78 -9.898 4.671 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.926 3.564 7.847 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.180 5.187 6.822 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.010 5.387 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.826 3.948 5.719 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.240 4.021 2.369 1.00 0.00 N ATOM 1142 CA CYS A 79 -9.733 4.865 1.293 1.00 0.00 C ATOM 1143 C CYS A 79 -10.876 5.579 0.577 1.00 0.00 C ATOM 1144 O CYS A 79 -12.009 5.098 0.562 1.00 0.00 O ATOM 1145 CB CYS A 79 -8.934 4.027 0.293 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.896 2.728 -0.517 1.00 0.00 S ATOM 0 H CYS A 79 -10.975 3.373 2.086 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.077 5.617 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.521 4.687 -0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.090 3.570 0.810 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.597 3.245 -1.482 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.569 6.729 -0.014 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.570 7.509 -0.732 1.00 0.00 C ATOM 1154 C ALA A 80 -12.135 6.725 -1.914 1.00 0.00 C ATOM 1155 O ALA A 80 -11.558 5.723 -2.337 1.00 0.00 O ATOM 1156 CB ALA A 80 -10.971 8.825 -1.207 1.00 0.00 C ATOM 0 H ALA A 80 -9.636 7.141 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.390 7.721 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.729 9.398 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.623 9.398 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.132 8.624 -1.873 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.278 7.172 -2.465 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.919 6.506 -3.602 1.00 0.00 C ATOM 1164 C PRO A 81 -12.967 6.328 -4.780 1.00 0.00 C ATOM 1165 O PRO A 81 -12.510 7.304 -5.376 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.060 7.456 -3.978 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.348 8.217 -2.730 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.031 8.359 -2.021 1.00 0.00 C ATOM 0 HA PRO A 81 -14.252 5.500 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.769 8.123 -4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.938 6.906 -4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.776 9.193 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.071 7.689 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.524 9.284 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.156 8.374 -0.938 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.673 5.074 -5.113 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.776 4.767 -6.221 1.00 0.00 C ATOM 1178 C ARG A 82 -10.382 5.337 -5.966 1.00 0.00 C ATOM 1179 O ARG A 82 -9.834 6.066 -6.793 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.348 5.317 -7.532 1.00 0.00 C ATOM 1181 CG ARG A 82 -12.822 4.236 -8.489 1.00 0.00 C ATOM 1182 CD ARG A 82 -11.734 3.855 -9.480 1.00 0.00 C ATOM 1183 NE ARG A 82 -12.058 2.627 -10.203 1.00 0.00 N ATOM 1184 CZ ARG A 82 -11.400 2.205 -11.280 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -10.382 2.907 -11.763 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -11.760 1.076 -11.875 1.00 0.00 N ATOM 0 H ARG A 82 -13.043 4.255 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.689 3.684 -6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -13.182 5.981 -7.305 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.586 5.920 -8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.125 3.355 -7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.701 4.587 -9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.591 4.668 -10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.790 3.726 -8.950 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.834 2.060 -9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.100 3.775 -11.308 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.882 2.578 -12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.541 0.532 -11.507 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.256 0.752 -12.701 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.812 4.997 -4.815 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.482 5.471 -4.450 1.00 0.00 C ATOM 1202 C HIS A 83 -7.561 4.302 -4.116 1.00 0.00 C ATOM 1203 O HIS A 83 -6.410 4.261 -4.551 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.567 6.425 -3.258 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.833 7.845 -3.646 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.302 8.935 -2.991 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.595 8.349 -4.651 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.747 10.040 -3.603 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.536 9.740 -4.616 1.00 0.00 N ATOM 0 H HIS A 83 -10.251 4.395 -4.118 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.067 6.005 -5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.357 6.086 -2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.633 6.379 -2.699 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.680 8.905 -2.183 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.157 7.764 -5.364 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.493 11.047 -3.305 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.077 3.352 -3.343 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.288 2.194 -2.965 1.00 0.00 C ATOM 1219 C GLY A 84 -6.971 1.299 -4.147 1.00 0.00 C ATOM 1220 O GLY A 84 -7.862 0.934 -4.914 1.00 0.00 O ATOM 0 H GLY A 84 -9.027 3.363 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.358 2.526 -2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.828 1.620 -2.213 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.699 0.944 -4.295 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.267 0.086 -5.391 1.00 0.00 C ATOM 1226 C VAL A 85 -4.331 -1.010 -4.896 1.00 0.00 C ATOM 1227 O VAL A 85 -3.281 -0.730 -4.318 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.556 0.894 -6.492 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.565 1.682 -7.314 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.512 1.821 -5.886 1.00 0.00 C ATOM 0 H VAL A 85 -4.949 1.238 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.166 -0.369 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.047 0.196 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.043 2.246 -8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.270 0.994 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.105 2.370 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.020 2.383 -6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.996 2.513 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.771 1.231 -5.347 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.718 -2.261 -5.128 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.913 -3.401 -4.707 1.00 0.00 C ATOM 1242 C PHE A 86 -3.039 -3.903 -5.852 1.00 0.00 C ATOM 1243 O PHE A 86 -3.541 -4.432 -6.843 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.814 -4.531 -4.206 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.111 -4.455 -2.735 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.083 -4.472 -1.807 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.417 -4.369 -2.282 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.351 -4.402 -0.453 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.692 -4.300 -0.930 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.659 -4.316 -0.014 1.00 0.00 C ATOM 0 H PHE A 86 -5.584 -2.510 -5.605 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.264 -3.075 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.753 -4.509 -4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.338 -5.487 -4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.060 -4.541 -2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.229 -4.356 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.540 -4.414 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.715 -4.234 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.872 -4.261 1.043 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.728 -3.734 -5.709 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.786 -4.169 -6.732 1.00 0.00 C ATOM 1262 C ALA A 87 0.335 -5.010 -6.123 1.00 0.00 C ATOM 1263 O ALA A 87 0.784 -4.745 -5.008 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.208 -2.967 -7.462 1.00 0.00 C ATOM 0 H ALA A 87 -1.295 -3.299 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.325 -4.790 -7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.494 -3.307 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.014 -2.407 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.311 -2.324 -6.751 1.00 0.00 H new ATOM 1270 N PRO A 88 0.805 -6.041 -6.849 1.00 0.00 N ATOM 1271 CA PRO A 88 1.878 -6.918 -6.370 1.00 0.00 C ATOM 1272 C PRO A 88 3.139 -6.142 -6.000 1.00 0.00 C ATOM 1273 O PRO A 88 3.515 -5.192 -6.683 1.00 0.00 O ATOM 1274 CB PRO A 88 2.151 -7.841 -7.561 1.00 0.00 C ATOM 1275 CG PRO A 88 0.899 -7.811 -8.366 1.00 0.00 C ATOM 1276 CD PRO A 88 0.329 -6.433 -8.187 1.00 0.00 C ATOM 0 HA PRO A 88 1.591 -7.449 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.003 -7.492 -8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.384 -8.853 -7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.105 -8.015 -9.417 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.197 -8.572 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.684 -5.748 -8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.760 -6.438 -8.241 1.00 0.00 H new ATOM 1284 N ALA A 89 3.786 -6.557 -4.911 1.00 0.00 N ATOM 1285 CA ALA A 89 5.007 -5.902 -4.450 1.00 0.00 C ATOM 1286 C ALA A 89 5.973 -5.712 -5.610 1.00 0.00 C ATOM 1287 O ALA A 89 6.456 -4.608 -5.860 1.00 0.00 O ATOM 1288 CB ALA A 89 5.656 -6.714 -3.340 1.00 0.00 C ATOM 0 H ALA A 89 3.485 -7.342 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 89 4.749 -4.921 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.565 -6.213 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.964 -6.804 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.905 -7.707 -3.714 1.00 0.00 H new ATOM 1294 N SER A 90 6.233 -6.800 -6.330 1.00 0.00 N ATOM 1295 CA SER A 90 7.120 -6.755 -7.482 1.00 0.00 C ATOM 1296 C SER A 90 6.625 -5.707 -8.471 1.00 0.00 C ATOM 1297 O SER A 90 7.400 -5.161 -9.256 1.00 0.00 O ATOM 1298 CB SER A 90 7.190 -8.126 -8.158 1.00 0.00 C ATOM 1299 OG SER A 90 8.299 -8.872 -7.685 1.00 0.00 O ATOM 0 H SER A 90 5.841 -7.721 -6.134 1.00 0.00 H new ATOM 0 HA SER A 90 8.121 -6.486 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.269 -8.677 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.267 -7.999 -9.238 1.00 0.00 H new ATOM 0 HG SER A 90 8.321 -9.744 -8.131 1.00 0.00 H new ATOM 1305 N ARG A 91 5.325 -5.419 -8.410 1.00 0.00 N ATOM 1306 CA ARG A 91 4.724 -4.422 -9.282 1.00 0.00 C ATOM 1307 C ARG A 91 4.823 -3.034 -8.652 1.00 0.00 C ATOM 1308 O ARG A 91 4.639 -2.022 -9.327 1.00 0.00 O ATOM 1309 CB ARG A 91 3.260 -4.773 -9.562 1.00 0.00 C ATOM 1310 CG ARG A 91 2.980 -5.086 -11.023 1.00 0.00 C ATOM 1311 CD ARG A 91 1.528 -4.812 -11.386 1.00 0.00 C ATOM 1312 NE ARG A 91 0.877 -5.987 -11.963 1.00 0.00 N ATOM 1313 CZ ARG A 91 1.030 -6.374 -13.227 1.00 0.00 C ATOM 1314 NH1 ARG A 91 1.811 -5.684 -14.049 1.00 0.00 N ATOM 1315 NH2 ARG A 91 0.401 -7.455 -13.669 1.00 0.00 N ATOM 0 H ARG A 91 4.672 -5.864 -7.765 1.00 0.00 H new ATOM 0 HA ARG A 91 5.268 -4.415 -10.226 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.978 -5.633 -8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.629 -3.941 -9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.633 -4.486 -11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.215 -6.131 -11.223 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.985 -4.497 -10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.481 -3.986 -12.096 1.00 0.00 H new ATOM 0 HE ARG A 91 0.270 -6.543 -11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.297 -4.853 -13.713 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.925 -5.985 -15.017 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.199 -7.989 -13.040 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.518 -7.753 -14.638 1.00 0.00 H new ATOM 1329 N ILE A 92 5.119 -2.993 -7.351 1.00 0.00 N ATOM 1330 CA ILE A 92 5.243 -1.728 -6.639 1.00 0.00 C ATOM 1331 C ILE A 92 6.699 -1.437 -6.287 1.00 0.00 C ATOM 1332 O ILE A 92 7.495 -2.355 -6.091 1.00 0.00 O ATOM 1333 CB ILE A 92 4.405 -1.724 -5.345 1.00 0.00 C ATOM 1334 CG1 ILE A 92 2.970 -2.164 -5.640 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.419 -0.343 -4.707 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.162 -2.462 -4.396 1.00 0.00 C ATOM 0 H ILE A 92 5.276 -3.820 -6.775 1.00 0.00 H new ATOM 0 HA ILE A 92 4.869 -0.952 -7.307 1.00 0.00 H new ATOM 0 HB ILE A 92 4.846 -2.431 -4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.469 -1.382 -6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.993 -3.053 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.823 -0.358 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.445 -0.064 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.000 0.384 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.155 -2.768 -4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.640 -3.265 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.108 -1.568 -3.775 1.00 0.00 H new ATOM 1348 N GLN A 93 7.039 -0.155 -6.210 1.00 0.00 N ATOM 1349 CA GLN A 93 8.399 0.257 -5.882 1.00 0.00 C ATOM 1350 C GLN A 93 8.421 1.100 -4.612 1.00 0.00 C ATOM 1351 O GLN A 93 7.395 1.637 -4.193 1.00 0.00 O ATOM 1352 CB GLN A 93 9.008 1.048 -7.042 1.00 0.00 C ATOM 1353 CG GLN A 93 9.554 0.170 -8.157 1.00 0.00 C ATOM 1354 CD GLN A 93 9.607 0.887 -9.491 1.00 0.00 C ATOM 1355 OE1 GLN A 93 8.440 1.173 -10.056 1.00 0.00 O flip ATOM 1356 NE2 GLN A 93 10.684 1.182 -10.008 1.00 0.00 N flip ATOM 0 H GLN A 93 6.392 0.617 -6.370 1.00 0.00 H new ATOM 0 HA GLN A 93 8.992 -0.641 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.250 1.714 -7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.812 1.677 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.555 -0.168 -7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.932 -0.720 -8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.557 0.943 -9.539 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.703 1.666 -10.906 1.00 0.00 H new ATOM 1365 N ARG A 94 9.596 1.213 -4.002 1.00 0.00 N ATOM 1366 CA ARG A 94 9.752 1.992 -2.779 1.00 0.00 C ATOM 1367 C ARG A 94 10.364 3.357 -3.078 1.00 0.00 C ATOM 1368 O ARG A 94 11.420 3.452 -3.703 1.00 0.00 O ATOM 1369 CB ARG A 94 10.623 1.232 -1.774 1.00 0.00 C ATOM 1370 CG ARG A 94 9.877 0.813 -0.518 1.00 0.00 C ATOM 1371 CD ARG A 94 10.825 0.279 0.542 1.00 0.00 C ATOM 1372 NE ARG A 94 10.338 0.541 1.894 1.00 0.00 N ATOM 1373 CZ ARG A 94 11.100 0.472 2.984 1.00 0.00 C ATOM 1374 NH1 ARG A 94 12.384 0.148 2.884 1.00 0.00 N ATOM 1375 NH2 ARG A 94 10.579 0.725 4.176 1.00 0.00 N ATOM 0 H ARG A 94 10.455 0.775 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 94 8.764 2.147 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.031 0.344 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.469 1.859 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.327 1.665 -0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.142 0.048 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.954 -0.795 0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.806 0.737 0.415 1.00 0.00 H new ATOM 0 HE ARG A 94 9.356 0.792 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.790 -0.049 1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.964 0.096 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.593 0.973 4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.164 0.672 5.010 1.00 0.00 H new ATOM 1389 N ILE A 95 9.692 4.412 -2.627 1.00 0.00 N ATOM 1390 CA ILE A 95 10.169 5.772 -2.845 1.00 0.00 C ATOM 1391 C ILE A 95 11.341 6.098 -1.927 1.00 0.00 C ATOM 1392 O ILE A 95 12.446 6.382 -2.391 1.00 0.00 O ATOM 1393 CB ILE A 95 9.048 6.804 -2.616 1.00 0.00 C ATOM 1394 CG1 ILE A 95 7.782 6.394 -3.369 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.506 8.188 -3.051 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.956 6.364 -4.871 1.00 0.00 C ATOM 0 H ILE A 95 8.816 4.350 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 95 10.498 5.829 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 95 8.818 6.836 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.469 5.407 -3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.979 7.087 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.703 8.906 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.382 8.480 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.761 8.170 -4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.019 6.065 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.239 7.356 -5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.736 5.650 -5.133 1.00 0.00 H new