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= 0.372 USER MOD Set 1.2: A 56 TYR OH : rot -84:sc= 0.803 USER MOD Single : A 31 GLN : amide:sc= -0.0267 K(o=-0.027,f=-2.9!) USER MOD Single : A 37 GLN : amide:sc=-0.00808 K(o=-0.0081,f=-0.69) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.0176 (180deg=-0.242) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -5:sc= 0.169 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.293 X(o=-0.29,f=0) 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 HE2:sc= -1.89 K(o=-1.9,f=-4.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 40:sc= 0.184 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -130:sc= 0.942 USER MOD Single : A 83 HIS : no HD1:sc= -7.08! C(o=-7.1!,f=-6.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0501 USER MOD Single : A 93 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 7.975 -3.047 0.328 1.00 0.00 N ATOM 331 CA ALA A 26 7.493 -1.920 1.119 1.00 0.00 C ATOM 332 C ALA A 26 6.841 -2.397 2.413 1.00 0.00 C ATOM 333 O ALA A 26 6.685 -3.598 2.635 1.00 0.00 O ATOM 334 CB ALA A 26 6.513 -1.089 0.306 1.00 0.00 C ATOM 0 HA ALA A 26 8.349 -1.298 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.160 -0.251 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.010 -0.711 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.665 -1.709 0.014 1.00 0.00 H new ATOM 340 N GLU A 27 6.463 -1.448 3.262 1.00 0.00 N ATOM 341 CA GLU A 27 5.828 -1.772 4.535 1.00 0.00 C ATOM 342 C GLU A 27 4.706 -0.787 4.849 1.00 0.00 C ATOM 343 O GLU A 27 4.499 0.186 4.124 1.00 0.00 O ATOM 344 CB GLU A 27 6.861 -1.761 5.662 1.00 0.00 C ATOM 345 CG GLU A 27 8.047 -2.678 5.408 1.00 0.00 C ATOM 346 CD GLU A 27 9.013 -2.718 6.576 1.00 0.00 C ATOM 347 OE1 GLU A 27 9.692 -1.698 6.819 1.00 0.00 O ATOM 348 OE2 GLU A 27 9.091 -3.769 7.247 1.00 0.00 O ATOM 0 H GLU A 27 6.585 -0.450 3.093 1.00 0.00 H new ATOM 0 HA GLU A 27 5.399 -2.771 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.223 -0.742 5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.376 -2.057 6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.685 -3.686 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.576 -2.344 4.515 1.00 0.00 H new ATOM 355 N VAL A 28 3.984 -1.045 5.935 1.00 0.00 N ATOM 356 CA VAL A 28 2.885 -0.183 6.346 1.00 0.00 C ATOM 357 C VAL A 28 3.403 1.107 6.974 1.00 0.00 C ATOM 358 O VAL A 28 3.876 1.108 8.111 1.00 0.00 O ATOM 359 CB VAL A 28 1.958 -0.893 7.351 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.714 -0.057 7.613 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.582 -2.277 6.845 1.00 0.00 C ATOM 0 H VAL A 28 4.142 -1.846 6.546 1.00 0.00 H new ATOM 0 HA VAL A 28 2.318 0.056 5.446 1.00 0.00 H new ATOM 0 HB VAL A 28 2.495 -1.009 8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.071 -0.574 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.005 0.910 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.173 0.093 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.927 -2.763 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.065 -2.187 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.484 -2.874 6.714 1.00 0.00 H new ATOM 371 N GLY A 29 3.309 2.202 6.227 1.00 0.00 N ATOM 372 CA GLY A 29 3.773 3.483 6.728 1.00 0.00 C ATOM 373 C GLY A 29 4.957 4.018 5.947 1.00 0.00 C ATOM 374 O GLY A 29 5.851 4.643 6.515 1.00 0.00 O ATOM 0 H GLY A 29 2.920 2.226 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.957 4.204 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.050 3.380 7.777 1.00 0.00 H new ATOM 378 N ASP A 30 4.963 3.769 4.641 1.00 0.00 N ATOM 379 CA ASP A 30 6.046 4.229 3.781 1.00 0.00 C ATOM 380 C ASP A 30 5.537 4.522 2.373 1.00 0.00 C ATOM 381 O ASP A 30 4.571 3.912 1.913 1.00 0.00 O ATOM 382 CB ASP A 30 7.161 3.182 3.725 1.00 0.00 C ATOM 383 CG ASP A 30 8.232 3.421 4.771 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.090 2.898 5.896 1.00 0.00 O ATOM 385 OD2 ASP A 30 9.212 4.132 4.465 1.00 0.00 O ATOM 0 H ASP A 30 4.230 3.251 4.156 1.00 0.00 H new ATOM 0 HA ASP A 30 6.444 5.152 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.732 2.190 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.616 3.192 2.734 1.00 0.00 H new ATOM 390 N GLN A 31 6.191 5.458 1.694 1.00 0.00 N ATOM 391 CA GLN A 31 5.804 5.831 0.339 1.00 0.00 C ATOM 392 C GLN A 31 6.123 4.710 -0.644 1.00 0.00 C ATOM 393 O GLN A 31 7.054 3.931 -0.434 1.00 0.00 O ATOM 394 CB GLN A 31 6.520 7.115 -0.083 1.00 0.00 C ATOM 395 CG GLN A 31 5.740 8.379 0.238 1.00 0.00 C ATOM 396 CD GLN A 31 5.867 8.791 1.692 1.00 0.00 C ATOM 397 OE1 GLN A 31 6.706 8.266 2.425 1.00 0.00 O ATOM 398 NE2 GLN A 31 5.033 9.732 2.116 1.00 0.00 N ATOM 0 H GLN A 31 6.992 5.972 2.060 1.00 0.00 H new ATOM 0 HA GLN A 31 4.728 6.004 0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.490 7.160 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.712 7.079 -1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.094 9.191 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.688 8.222 -0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.354 10.139 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.071 10.048 3.085 1.00 0.00 H new ATOM 407 N VAL A 32 5.347 4.633 -1.720 1.00 0.00 N ATOM 408 CA VAL A 32 5.547 3.607 -2.736 1.00 0.00 C ATOM 409 C VAL A 32 5.062 4.082 -4.100 1.00 0.00 C ATOM 410 O VAL A 32 4.568 5.201 -4.241 1.00 0.00 O ATOM 411 CB VAL A 32 4.814 2.303 -2.370 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.500 1.614 -1.200 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.354 2.582 -2.051 1.00 0.00 C ATOM 0 H VAL A 32 4.573 5.270 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 32 6.619 3.413 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 32 4.853 1.634 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.968 0.695 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.529 1.377 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.496 2.276 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.853 1.649 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.291 3.271 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.870 3.027 -2.921 1.00 0.00 H new ATOM 423 N LEU A 33 5.208 3.225 -5.105 1.00 0.00 N ATOM 424 CA LEU A 33 4.784 3.555 -6.460 1.00 0.00 C ATOM 425 C LEU A 33 4.209 2.329 -7.163 1.00 0.00 C ATOM 426 O LEU A 33 4.906 1.334 -7.366 1.00 0.00 O ATOM 427 CB LEU A 33 5.962 4.113 -7.262 1.00 0.00 C ATOM 428 CG LEU A 33 5.634 4.517 -8.699 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.496 5.525 -8.725 1.00 0.00 C ATOM 430 CD2 LEU A 33 6.868 5.083 -9.387 1.00 0.00 C ATOM 0 H LEU A 33 5.617 2.296 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 33 4.004 4.314 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.359 4.983 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.754 3.365 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 33 5.314 3.628 -9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.277 5.800 -9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.609 5.084 -8.271 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.785 6.415 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.617 5.366 -10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.217 5.961 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.655 4.329 -9.402 1.00 0.00 H new ATOM 442 N VAL A 34 2.934 2.407 -7.530 1.00 0.00 N ATOM 443 CA VAL A 34 2.265 1.302 -8.207 1.00 0.00 C ATOM 444 C VAL A 34 2.497 1.354 -9.713 1.00 0.00 C ATOM 445 O VAL A 34 2.295 2.389 -10.348 1.00 0.00 O ATOM 446 CB VAL A 34 0.749 1.310 -7.934 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.100 0.049 -8.482 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.476 1.457 -6.445 1.00 0.00 C ATOM 0 H VAL A 34 2.344 3.223 -7.370 1.00 0.00 H new ATOM 0 HA VAL A 34 2.695 0.383 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 34 0.311 2.166 -8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.971 0.073 -8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.264 -0.007 -9.558 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.540 -0.825 -8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.600 1.461 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.928 0.623 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.905 2.393 -6.087 1.00 0.00 H new ATOM 458 N ALA A 35 2.921 0.228 -10.280 1.00 0.00 N ATOM 459 CA ALA A 35 3.180 0.139 -11.713 1.00 0.00 C ATOM 460 C ALA A 35 4.146 1.228 -12.173 1.00 0.00 C ATOM 461 O ALA A 35 4.132 1.630 -13.336 1.00 0.00 O ATOM 462 CB ALA A 35 1.874 0.229 -12.489 1.00 0.00 C ATOM 0 H ALA A 35 3.093 -0.637 -9.767 1.00 0.00 H new ATOM 0 HA ALA A 35 3.647 -0.826 -11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.080 0.161 -13.557 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.218 -0.590 -12.193 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.387 1.180 -12.273 1.00 0.00 H new ATOM 468 N GLY A 36 4.983 1.701 -11.254 1.00 0.00 N ATOM 469 CA GLY A 36 5.942 2.737 -11.588 1.00 0.00 C ATOM 470 C GLY A 36 5.280 3.989 -12.133 1.00 0.00 C ATOM 471 O GLY A 36 5.838 4.669 -12.993 1.00 0.00 O ATOM 0 H GLY A 36 5.014 1.385 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.520 2.993 -10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.646 2.352 -12.326 1.00 0.00 H new ATOM 475 N GLN A 37 4.087 4.293 -11.631 1.00 0.00 N ATOM 476 CA GLN A 37 3.351 5.470 -12.075 1.00 0.00 C ATOM 477 C GLN A 37 2.530 6.064 -10.934 1.00 0.00 C ATOM 478 O GLN A 37 2.842 7.141 -10.426 1.00 0.00 O ATOM 479 CB GLN A 37 2.434 5.112 -13.247 1.00 0.00 C ATOM 480 CG GLN A 37 3.183 4.645 -14.484 1.00 0.00 C ATOM 481 CD GLN A 37 2.257 4.091 -15.550 1.00 0.00 C ATOM 482 OE1 GLN A 37 1.276 3.414 -15.245 1.00 0.00 O ATOM 483 NE2 GLN A 37 2.568 4.377 -16.809 1.00 0.00 N ATOM 0 H GLN A 37 3.611 3.741 -10.918 1.00 0.00 H new ATOM 0 HA GLN A 37 4.074 6.216 -12.403 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.745 4.328 -12.932 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.831 5.982 -13.505 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.750 5.479 -14.898 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.904 3.879 -14.200 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.392 4.942 -17.015 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.983 4.031 -17.570 1.00 0.00 H new ATOM 492 N LYS A 38 1.476 5.356 -10.539 1.00 0.00 N ATOM 493 CA LYS A 38 0.610 5.815 -9.458 1.00 0.00 C ATOM 494 C LYS A 38 1.351 5.807 -8.125 1.00 0.00 C ATOM 495 O LYS A 38 1.663 4.747 -7.583 1.00 0.00 O ATOM 496 CB LYS A 38 -0.636 4.932 -9.367 1.00 0.00 C ATOM 497 CG LYS A 38 -1.364 4.769 -10.692 1.00 0.00 C ATOM 498 CD LYS A 38 -2.870 4.685 -10.494 1.00 0.00 C ATOM 499 CE LYS A 38 -3.372 3.257 -10.636 1.00 0.00 C ATOM 500 NZ LYS A 38 -2.944 2.402 -9.494 1.00 0.00 N ATOM 0 H LYS A 38 1.201 4.464 -10.950 1.00 0.00 H new ATOM 0 HA LYS A 38 0.308 6.839 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.348 3.948 -8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.322 5.360 -8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.128 5.610 -11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.011 3.868 -11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.130 5.067 -9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.370 5.322 -11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.460 3.259 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.999 2.832 -11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.466 1.503 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.924 2.212 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.143 2.893 -8.599 1.00 0.00 H new ATOM 514 N GLN A 39 1.628 6.997 -7.601 1.00 0.00 N ATOM 515 CA GLN A 39 2.332 7.126 -6.330 1.00 0.00 C ATOM 516 C GLN A 39 1.349 7.193 -5.168 1.00 0.00 C ATOM 517 O GLN A 39 0.319 7.864 -5.249 1.00 0.00 O ATOM 518 CB GLN A 39 3.217 8.375 -6.338 1.00 0.00 C ATOM 519 CG GLN A 39 4.247 8.396 -5.220 1.00 0.00 C ATOM 520 CD GLN A 39 3.940 9.438 -4.163 1.00 0.00 C ATOM 521 OE1 GLN A 39 3.981 10.639 -4.428 1.00 0.00 O ATOM 522 NE2 GLN A 39 3.630 8.981 -2.955 1.00 0.00 N ATOM 0 H GLN A 39 1.376 7.884 -8.036 1.00 0.00 H new ATOM 0 HA GLN A 39 2.960 6.245 -6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.732 8.440 -7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.585 9.259 -6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.291 7.412 -4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.232 8.592 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.608 7.976 -2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.414 9.635 -2.202 1.00 0.00 H new ATOM 531 N GLY A 40 1.671 6.493 -4.085 1.00 0.00 N ATOM 532 CA GLY A 40 0.807 6.487 -2.920 1.00 0.00 C ATOM 533 C GLY A 40 1.506 5.965 -1.680 1.00 0.00 C ATOM 534 O GLY A 40 2.712 5.719 -1.698 1.00 0.00 O ATOM 0 H GLY A 40 2.516 5.929 -3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.449 7.499 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.069 5.872 -3.125 1.00 0.00 H new ATOM 538 N ILE A 41 0.748 5.795 -0.602 1.00 0.00 N ATOM 539 CA ILE A 41 1.303 5.298 0.651 1.00 0.00 C ATOM 540 C ILE A 41 0.585 4.032 1.107 1.00 0.00 C ATOM 541 O ILE A 41 -0.645 3.976 1.124 1.00 0.00 O ATOM 542 CB ILE A 41 1.207 6.357 1.766 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.738 7.703 1.269 1.00 0.00 C ATOM 544 CG2 ILE A 41 1.976 5.900 2.997 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.367 8.866 2.163 1.00 0.00 C ATOM 0 H ILE A 41 -0.252 5.994 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 41 2.352 5.070 0.464 1.00 0.00 H new ATOM 0 HB ILE A 41 0.159 6.481 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.824 7.649 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.353 7.889 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.899 6.658 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.556 4.962 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.024 5.752 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.776 9.788 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.282 8.946 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.775 8.703 3.160 1.00 0.00 H new ATOM 557 N VAL A 42 1.361 3.017 1.473 1.00 0.00 N ATOM 558 CA VAL A 42 0.800 1.752 1.929 1.00 0.00 C ATOM 559 C VAL A 42 -0.077 1.953 3.160 1.00 0.00 C ATOM 560 O VAL A 42 0.368 2.498 4.170 1.00 0.00 O ATOM 561 CB VAL A 42 1.908 0.733 2.260 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.306 -0.625 2.595 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.892 0.619 1.105 1.00 0.00 C ATOM 0 H VAL A 42 2.381 3.047 1.462 1.00 0.00 H new ATOM 0 HA VAL A 42 0.192 1.362 1.113 1.00 0.00 H new ATOM 0 HB VAL A 42 2.451 1.088 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.105 -1.330 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.647 -0.528 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.735 -0.990 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.667 -0.105 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.365 0.289 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.350 1.591 0.920 1.00 0.00 H new ATOM 573 N ARG A 43 -1.327 1.509 3.069 1.00 0.00 N ATOM 574 CA ARG A 43 -2.267 1.640 4.176 1.00 0.00 C ATOM 575 C ARG A 43 -2.570 0.281 4.798 1.00 0.00 C ATOM 576 O ARG A 43 -2.833 0.180 5.997 1.00 0.00 O ATOM 577 CB ARG A 43 -3.564 2.295 3.695 1.00 0.00 C ATOM 578 CG ARG A 43 -3.358 3.667 3.074 1.00 0.00 C ATOM 579 CD ARG A 43 -2.781 4.654 4.078 1.00 0.00 C ATOM 580 NE ARG A 43 -3.700 5.755 4.355 1.00 0.00 N ATOM 581 CZ ARG A 43 -3.864 6.805 3.553 1.00 0.00 C ATOM 582 NH1 ARG A 43 -3.173 6.901 2.424 1.00 0.00 N ATOM 583 NH2 ARG A 43 -4.720 7.763 3.882 1.00 0.00 N ATOM 0 H ARG A 43 -1.712 1.056 2.240 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.808 2.272 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.042 1.642 2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.250 2.386 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.688 3.583 2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.309 4.044 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.550 4.133 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.842 5.054 3.695 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.249 5.717 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.512 6.168 2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.303 7.708 1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.253 7.695 4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.846 8.568 3.268 1.00 0.00 H new ATOM 597 N PHE A 44 -2.530 -0.763 3.976 1.00 0.00 N ATOM 598 CA PHE A 44 -2.800 -2.116 4.448 1.00 0.00 C ATOM 599 C PHE A 44 -1.979 -3.139 3.667 1.00 0.00 C ATOM 600 O PHE A 44 -2.205 -3.351 2.476 1.00 0.00 O ATOM 601 CB PHE A 44 -4.291 -2.437 4.320 1.00 0.00 C ATOM 602 CG PHE A 44 -4.687 -3.721 4.989 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.447 -4.941 4.377 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.299 -3.710 6.233 1.00 0.00 C ATOM 605 CE1 PHE A 44 -4.810 -6.124 4.991 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.665 -4.889 6.851 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.420 -6.098 6.230 1.00 0.00 C ATOM 0 H PHE A 44 -2.314 -0.698 2.981 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.513 -2.171 5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.869 -1.619 4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.553 -2.491 3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.970 -4.967 3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.492 -2.768 6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.617 -7.068 4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.143 -4.866 7.819 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.705 -7.021 6.712 1.00 0.00 H new ATOM 617 N TYR A 45 -1.028 -3.769 4.347 1.00 0.00 N ATOM 618 CA TYR A 45 -0.172 -4.769 3.719 1.00 0.00 C ATOM 619 C TYR A 45 -0.437 -6.154 4.300 1.00 0.00 C ATOM 620 O TYR A 45 -0.667 -6.302 5.500 1.00 0.00 O ATOM 621 CB TYR A 45 1.300 -4.399 3.903 1.00 0.00 C ATOM 622 CG TYR A 45 2.257 -5.371 3.250 1.00 0.00 C ATOM 623 CD1 TYR A 45 2.008 -5.874 1.979 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.411 -5.785 3.904 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.881 -6.762 1.380 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.289 -6.672 3.310 1.00 0.00 C ATOM 627 CZ TYR A 45 4.019 -7.157 2.049 1.00 0.00 C ATOM 628 OH TYR A 45 4.891 -8.041 1.453 1.00 0.00 O ATOM 0 H TYR A 45 -0.830 -3.605 5.334 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.403 -4.791 2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.470 -3.404 3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.522 -4.345 4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.118 -5.566 1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.625 -5.407 4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.672 -7.145 0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.182 -6.983 3.832 1.00 0.00 H new ATOM 0 HH TYR A 45 5.643 -8.216 2.057 1.00 0.00 H new ATOM 638 N GLY A 46 -0.401 -7.168 3.441 1.00 0.00 N ATOM 639 CA GLY A 46 -0.638 -8.528 3.888 1.00 0.00 C ATOM 640 C GLY A 46 -1.372 -9.359 2.854 1.00 0.00 C ATOM 641 O GLY A 46 -1.612 -8.902 1.737 1.00 0.00 O ATOM 0 H GLY A 46 -0.212 -7.072 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.316 -9.002 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.217 -8.508 4.811 1.00 0.00 H new ATOM 645 N LYS A 47 -1.729 -10.584 3.226 1.00 0.00 N ATOM 646 CA LYS A 47 -2.439 -11.482 2.324 1.00 0.00 C ATOM 647 C LYS A 47 -3.894 -11.054 2.165 1.00 0.00 C ATOM 648 O LYS A 47 -4.423 -10.303 2.984 1.00 0.00 O ATOM 649 CB LYS A 47 -2.371 -12.919 2.843 1.00 0.00 C ATOM 650 CG LYS A 47 -1.134 -13.674 2.384 1.00 0.00 C ATOM 651 CD LYS A 47 -0.818 -14.838 3.310 1.00 0.00 C ATOM 652 CE LYS A 47 0.299 -15.706 2.754 1.00 0.00 C ATOM 653 NZ LYS A 47 -0.228 -16.918 2.070 1.00 0.00 N ATOM 0 H LYS A 47 -1.538 -10.977 4.147 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.956 -11.433 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.394 -12.904 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.259 -13.458 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.288 -14.045 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.283 -12.994 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.530 -14.457 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.713 -15.443 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.896 -15.124 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.963 -16.006 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.565 -17.483 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.777 -17.487 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.841 -16.632 1.280 1.00 0.00 H new ATOM 667 N THR A 48 -4.536 -11.538 1.107 1.00 0.00 N ATOM 668 CA THR A 48 -5.931 -11.205 0.840 1.00 0.00 C ATOM 669 C THR A 48 -6.799 -12.460 0.842 1.00 0.00 C ATOM 670 O THR A 48 -6.316 -13.560 1.106 1.00 0.00 O ATOM 671 CB THR A 48 -6.058 -10.483 -0.502 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.557 -11.289 -1.554 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.317 -9.163 -0.542 1.00 0.00 C ATOM 0 H THR A 48 -4.113 -12.162 0.420 1.00 0.00 H new ATOM 0 HA THR A 48 -6.279 -10.543 1.633 1.00 0.00 H new ATOM 0 HB THR A 48 -7.123 -10.288 -0.627 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.167 -12.107 -1.182 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.447 -8.702 -1.521 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.713 -8.500 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.256 -9.336 -0.361 1.00 0.00 H new ATOM 681 N ASP A 49 -8.083 -12.286 0.546 1.00 0.00 N ATOM 682 CA ASP A 49 -9.019 -13.405 0.514 1.00 0.00 C ATOM 683 C ASP A 49 -9.528 -13.665 -0.903 1.00 0.00 C ATOM 684 O ASP A 49 -10.523 -14.364 -1.094 1.00 0.00 O ATOM 685 CB ASP A 49 -10.200 -13.132 1.446 1.00 0.00 C ATOM 686 CG ASP A 49 -10.709 -14.392 2.119 1.00 0.00 C ATOM 687 OD1 ASP A 49 -11.112 -15.329 1.399 1.00 0.00 O ATOM 688 OD2 ASP A 49 -10.703 -14.442 3.368 1.00 0.00 O ATOM 0 H ASP A 49 -8.499 -11.381 0.325 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.487 -14.294 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.899 -12.413 2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.010 -12.675 0.877 1.00 0.00 H new ATOM 693 N PHE A 50 -8.843 -13.102 -1.893 1.00 0.00 N ATOM 694 CA PHE A 50 -9.234 -13.279 -3.288 1.00 0.00 C ATOM 695 C PHE A 50 -8.075 -13.831 -4.114 1.00 0.00 C ATOM 696 O PHE A 50 -8.266 -14.703 -4.963 1.00 0.00 O ATOM 697 CB PHE A 50 -9.713 -11.951 -3.879 1.00 0.00 C ATOM 698 CG PHE A 50 -8.681 -10.861 -3.825 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.707 -10.762 -4.806 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.687 -9.935 -2.795 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.757 -9.759 -4.759 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.741 -8.929 -2.744 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.775 -8.841 -3.727 1.00 0.00 C ATOM 0 H PHE A 50 -8.016 -12.521 -1.756 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.053 -13.998 -3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.007 -12.110 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.603 -11.624 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.690 -11.476 -5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.439 -10.000 -2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.002 -9.693 -5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.757 -8.212 -1.936 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.035 -8.056 -3.689 1.00 0.00 H new ATOM 713 N ALA A 51 -6.875 -13.319 -3.861 1.00 0.00 N ATOM 714 CA ALA A 51 -5.688 -13.762 -4.582 1.00 0.00 C ATOM 715 C ALA A 51 -4.565 -14.132 -3.617 1.00 0.00 C ATOM 716 O ALA A 51 -4.457 -13.561 -2.531 1.00 0.00 O ATOM 717 CB ALA A 51 -5.224 -12.683 -5.547 1.00 0.00 C ATOM 0 H ALA A 51 -6.699 -12.597 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.950 -14.654 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.337 -13.027 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.017 -12.471 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.985 -11.776 -4.991 1.00 0.00 H new ATOM 723 N PRO A 52 -3.710 -15.095 -4.001 1.00 0.00 N ATOM 724 CA PRO A 52 -2.592 -15.539 -3.163 1.00 0.00 C ATOM 725 C PRO A 52 -1.497 -14.483 -3.053 1.00 0.00 C ATOM 726 O PRO A 52 -1.587 -13.415 -3.656 1.00 0.00 O ATOM 727 CB PRO A 52 -2.068 -16.777 -3.893 1.00 0.00 C ATOM 728 CG PRO A 52 -2.461 -16.572 -5.315 1.00 0.00 C ATOM 729 CD PRO A 52 -3.767 -15.828 -5.280 1.00 0.00 C ATOM 0 HA PRO A 52 -2.905 -15.734 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.987 -16.869 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.506 -17.690 -3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.702 -16.003 -5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.569 -17.526 -5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.866 -15.150 -6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.618 -16.508 -5.315 1.00 0.00 H new ATOM 737 N GLY A 53 -0.462 -14.790 -2.276 1.00 0.00 N ATOM 738 CA GLY A 53 0.635 -13.857 -2.100 1.00 0.00 C ATOM 739 C GLY A 53 0.259 -12.676 -1.228 1.00 0.00 C ATOM 740 O GLY A 53 -0.804 -12.669 -0.607 1.00 0.00 O ATOM 0 H GLY A 53 -0.364 -15.668 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.483 -14.378 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.960 -13.495 -3.076 1.00 0.00 H new ATOM 744 N TYR A 54 1.130 -11.674 -1.183 1.00 0.00 N ATOM 745 CA TYR A 54 0.883 -10.480 -0.381 1.00 0.00 C ATOM 746 C TYR A 54 0.640 -9.267 -1.271 1.00 0.00 C ATOM 747 O TYR A 54 1.369 -9.036 -2.237 1.00 0.00 O ATOM 748 CB TYR A 54 2.065 -10.214 0.552 1.00 0.00 C ATOM 749 CG TYR A 54 2.297 -11.313 1.566 1.00 0.00 C ATOM 750 CD1 TYR A 54 1.563 -11.362 2.744 1.00 0.00 C ATOM 751 CD2 TYR A 54 3.247 -12.300 1.342 1.00 0.00 C ATOM 752 CE1 TYR A 54 1.772 -12.364 3.673 1.00 0.00 C ATOM 753 CE2 TYR A 54 3.461 -13.306 2.266 1.00 0.00 C ATOM 754 CZ TYR A 54 2.721 -13.334 3.429 1.00 0.00 C ATOM 755 OH TYR A 54 2.931 -14.333 4.350 1.00 0.00 O ATOM 0 H TYR A 54 2.014 -11.664 -1.692 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.012 -10.653 0.217 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.967 -10.087 -0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.897 -9.275 1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.817 -10.605 2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.828 -12.282 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.195 -12.387 4.586 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.204 -14.066 2.078 1.00 0.00 H new ATOM 0 HH TYR A 54 3.632 -14.935 4.025 1.00 0.00 H new ATOM 765 N TRP A 55 -0.388 -8.494 -0.941 1.00 0.00 N ATOM 766 CA TRP A 55 -0.728 -7.302 -1.711 1.00 0.00 C ATOM 767 C TRP A 55 -0.671 -6.055 -0.836 1.00 0.00 C ATOM 768 O TRP A 55 -0.771 -6.138 0.388 1.00 0.00 O ATOM 769 CB TRP A 55 -2.121 -7.447 -2.325 1.00 0.00 C ATOM 770 CG TRP A 55 -2.263 -8.657 -3.197 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.336 -9.957 -2.788 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.344 -8.679 -4.626 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.459 -10.787 -3.877 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.467 -10.026 -5.016 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.327 -7.691 -5.615 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.572 -10.409 -6.351 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.430 -8.072 -6.939 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.552 -9.421 -7.297 1.00 0.00 C ATOM 0 H TRP A 55 -1.001 -8.671 -0.145 1.00 0.00 H new ATOM 0 HA TRP A 55 0.004 -7.195 -2.511 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.860 -7.496 -1.525 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.346 -6.557 -2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.302 -10.285 -1.760 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.532 -11.804 -3.843 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.235 -6.648 -5.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.666 -11.448 -6.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.416 -7.317 -7.711 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.632 -9.686 -8.341 1.00 0.00 H new ATOM 789 N TYR A 56 -0.506 -4.899 -1.472 1.00 0.00 N ATOM 790 CA TYR A 56 -0.433 -3.633 -0.751 1.00 0.00 C ATOM 791 C TYR A 56 -1.670 -2.783 -1.016 1.00 0.00 C ATOM 792 O TYR A 56 -1.995 -2.481 -2.165 1.00 0.00 O ATOM 793 CB TYR A 56 0.825 -2.864 -1.157 1.00 0.00 C ATOM 794 CG TYR A 56 2.106 -3.634 -0.929 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.377 -4.796 -1.640 1.00 0.00 C ATOM 796 CD2 TYR A 56 3.044 -3.198 -0.001 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.547 -5.503 -1.433 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.217 -3.898 0.210 1.00 0.00 C ATOM 799 CZ TYR A 56 4.463 -5.049 -0.508 1.00 0.00 C ATOM 800 OH TYR A 56 5.629 -5.750 -0.300 1.00 0.00 O ATOM 0 H TYR A 56 -0.420 -4.813 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.388 -3.853 0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.754 -2.598 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.867 -1.931 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.662 -5.153 -2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.853 -2.298 0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.742 -6.406 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.937 -3.545 0.933 1.00 0.00 H new ATOM 0 HH TYR A 56 5.466 -6.473 0.341 1.00 0.00 H new ATOM 810 N GLY A 57 -2.357 -2.397 0.054 1.00 0.00 N ATOM 811 CA GLY A 57 -3.551 -1.582 -0.084 1.00 0.00 C ATOM 812 C GLY A 57 -3.243 -0.098 -0.067 1.00 0.00 C ATOM 813 O GLY A 57 -3.667 0.621 0.837 1.00 0.00 O ATOM 0 H GLY A 57 -2.109 -2.634 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.054 -1.835 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.243 -1.816 0.725 1.00 0.00 H new ATOM 817 N ILE A 58 -2.502 0.361 -1.070 1.00 0.00 N ATOM 818 CA ILE A 58 -2.137 1.769 -1.168 1.00 0.00 C ATOM 819 C ILE A 58 -3.343 2.624 -1.545 1.00 0.00 C ATOM 820 O ILE A 58 -4.204 2.195 -2.313 1.00 0.00 O ATOM 821 CB ILE A 58 -1.018 1.989 -2.205 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.163 1.059 -1.918 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.567 3.443 -2.202 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.764 0.442 -3.162 1.00 0.00 C ATOM 0 H ILE A 58 -2.143 -0.222 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.774 2.072 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.410 1.754 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.935 1.619 -1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.166 0.263 -1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.223 3.580 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.411 4.086 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.190 3.705 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.596 -0.205 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.006 -0.145 -3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.124 1.231 -3.822 1.00 0.00 H new ATOM 836 N GLU A 59 -3.397 3.834 -1.000 1.00 0.00 N ATOM 837 CA GLU A 59 -4.496 4.750 -1.279 1.00 0.00 C ATOM 838 C GLU A 59 -4.028 5.912 -2.150 1.00 0.00 C ATOM 839 O GLU A 59 -2.951 6.466 -1.933 1.00 0.00 O ATOM 840 CB GLU A 59 -5.088 5.282 0.028 1.00 0.00 C ATOM 841 CG GLU A 59 -6.281 6.202 -0.174 1.00 0.00 C ATOM 842 CD GLU A 59 -5.906 7.668 -0.094 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.724 7.993 -0.326 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.797 8.493 0.201 1.00 0.00 O ATOM 0 H GLU A 59 -2.692 4.203 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.266 4.201 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.391 4.439 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.314 5.820 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.732 5.999 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.037 5.982 0.580 1.00 0.00 H new ATOM 851 N LEU A 60 -4.844 6.274 -3.134 1.00 0.00 N ATOM 852 CA LEU A 60 -4.512 7.369 -4.038 1.00 0.00 C ATOM 853 C LEU A 60 -5.118 8.681 -3.549 1.00 0.00 C ATOM 854 O LEU A 60 -5.949 8.692 -2.640 1.00 0.00 O ATOM 855 CB LEU A 60 -5.005 7.060 -5.452 1.00 0.00 C ATOM 856 CG LEU A 60 -4.293 5.899 -6.148 1.00 0.00 C ATOM 857 CD1 LEU A 60 -5.082 5.438 -7.364 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.881 6.302 -6.547 1.00 0.00 C ATOM 0 H LEU A 60 -5.740 5.825 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.427 7.476 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.071 6.838 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.891 7.955 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.228 5.066 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.559 4.612 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.072 5.108 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.181 6.264 -8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.389 5.464 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.924 7.151 -7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.317 6.580 -5.657 1.00 0.00 H new ATOM 870 N ASP A 61 -4.698 9.785 -4.159 1.00 0.00 N ATOM 871 CA ASP A 61 -5.199 11.103 -3.787 1.00 0.00 C ATOM 872 C ASP A 61 -6.346 11.527 -4.699 1.00 0.00 C ATOM 873 O ASP A 61 -7.251 12.249 -4.281 1.00 0.00 O ATOM 874 CB ASP A 61 -4.073 12.136 -3.849 1.00 0.00 C ATOM 875 CG ASP A 61 -4.357 13.353 -2.991 1.00 0.00 C ATOM 876 OD1 ASP A 61 -5.093 13.216 -1.991 1.00 0.00 O ATOM 877 OD2 ASP A 61 -3.844 14.444 -3.319 1.00 0.00 O ATOM 0 H ASP A 61 -4.012 9.793 -4.913 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.574 11.046 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.141 11.674 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.928 12.450 -4.883 1.00 0.00 H new ATOM 882 N GLN A 62 -6.299 11.076 -5.949 1.00 0.00 N ATOM 883 CA GLN A 62 -7.333 11.411 -6.921 1.00 0.00 C ATOM 884 C GLN A 62 -8.162 10.179 -7.280 1.00 0.00 C ATOM 885 O GLN A 62 -7.681 9.049 -7.192 1.00 0.00 O ATOM 886 CB GLN A 62 -6.704 12.001 -8.184 1.00 0.00 C ATOM 887 CG GLN A 62 -5.531 11.191 -8.715 1.00 0.00 C ATOM 888 CD GLN A 62 -5.075 11.656 -10.084 1.00 0.00 C ATOM 889 OE1 GLN A 62 -3.899 11.957 -10.290 1.00 0.00 O ATOM 890 NE2 GLN A 62 -6.006 11.718 -11.029 1.00 0.00 N ATOM 0 H GLN A 62 -5.556 10.478 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.992 12.153 -6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.466 12.073 -8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.368 13.016 -7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.698 11.262 -8.015 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.814 10.140 -8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.969 11.459 -10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.758 12.025 -11.970 1.00 0.00 H new ATOM 899 N PRO A 63 -9.425 10.382 -7.693 1.00 0.00 N ATOM 900 CA PRO A 63 -10.320 9.283 -8.067 1.00 0.00 C ATOM 901 C PRO A 63 -9.910 8.624 -9.379 1.00 0.00 C ATOM 902 O PRO A 63 -10.482 8.903 -10.433 1.00 0.00 O ATOM 903 CB PRO A 63 -11.681 9.967 -8.214 1.00 0.00 C ATOM 904 CG PRO A 63 -11.359 11.382 -8.551 1.00 0.00 C ATOM 905 CD PRO A 63 -10.078 11.698 -7.828 1.00 0.00 C ATOM 0 HA PRO A 63 -10.310 8.480 -7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.277 9.499 -8.998 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.259 9.901 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.242 11.510 -9.627 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.160 12.050 -8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.460 12.397 -8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.268 12.154 -6.856 1.00 0.00 H new ATOM 913 N THR A 64 -8.914 7.747 -9.306 1.00 0.00 N ATOM 914 CA THR A 64 -8.425 7.046 -10.489 1.00 0.00 C ATOM 915 C THR A 64 -7.732 5.744 -10.100 1.00 0.00 C ATOM 916 O THR A 64 -6.799 5.302 -10.770 1.00 0.00 O ATOM 917 CB THR A 64 -7.461 7.936 -11.272 1.00 0.00 C ATOM 918 OG1 THR A 64 -6.323 8.255 -10.490 1.00 0.00 O ATOM 919 CG2 THR A 64 -8.083 9.240 -11.726 1.00 0.00 C ATOM 0 H THR A 64 -8.430 7.505 -8.442 1.00 0.00 H new ATOM 0 HA THR A 64 -9.281 6.807 -11.120 1.00 0.00 H new ATOM 0 HB THR A 64 -7.186 7.356 -12.153 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.718 8.824 -11.010 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.344 9.823 -12.276 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.935 9.031 -12.373 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.418 9.805 -10.856 1.00 0.00 H new ATOM 927 N GLY A 65 -8.195 5.135 -9.013 1.00 0.00 N ATOM 928 CA GLY A 65 -7.607 3.890 -8.554 1.00 0.00 C ATOM 929 C GLY A 65 -8.176 2.681 -9.269 1.00 0.00 C ATOM 930 O GLY A 65 -7.987 2.520 -10.475 1.00 0.00 O ATOM 0 H GLY A 65 -8.966 5.481 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.528 3.924 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.775 3.786 -7.482 1.00 0.00 H new ATOM 934 N LYS A 66 -8.873 1.828 -8.525 1.00 0.00 N ATOM 935 CA LYS A 66 -9.470 0.627 -9.097 1.00 0.00 C ATOM 936 C LYS A 66 -10.715 0.214 -8.318 1.00 0.00 C ATOM 937 O LYS A 66 -11.763 -0.059 -8.902 1.00 0.00 O ATOM 938 CB LYS A 66 -8.453 -0.517 -9.107 1.00 0.00 C ATOM 939 CG LYS A 66 -8.421 -1.289 -10.417 1.00 0.00 C ATOM 940 CD LYS A 66 -7.006 -1.406 -10.964 1.00 0.00 C ATOM 941 CE LYS A 66 -6.763 -0.424 -12.099 1.00 0.00 C ATOM 942 NZ LYS A 66 -6.705 -1.104 -13.422 1.00 0.00 N ATOM 0 H LYS A 66 -9.038 1.946 -7.525 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.765 0.849 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.461 -0.112 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.685 -1.205 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.836 -2.285 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.055 -0.790 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.289 -1.223 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.835 -2.422 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.558 0.322 -12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.828 0.109 -11.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.538 -0.399 -14.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.930 -1.798 -13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.606 -1.591 -13.602 1.00 0.00 H new ATOM 956 N HIS A 67 -10.592 0.171 -6.995 1.00 0.00 N ATOM 957 CA HIS A 67 -11.707 -0.209 -6.135 1.00 0.00 C ATOM 958 C HIS A 67 -11.990 0.873 -5.098 1.00 0.00 C ATOM 959 O HIS A 67 -11.269 1.867 -5.013 1.00 0.00 O ATOM 960 CB HIS A 67 -11.410 -1.537 -5.436 1.00 0.00 C ATOM 961 CG HIS A 67 -10.054 -1.590 -4.803 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.835 -1.483 -3.448 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.831 -1.744 -5.370 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.514 -1.572 -3.238 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.860 -1.732 -4.371 1.00 0.00 N ATOM 0 H HIS A 67 -9.731 0.395 -6.495 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.592 -0.326 -6.761 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.166 -1.713 -4.671 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.496 -2.347 -6.161 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.550 -1.358 -2.732 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.641 -1.858 -6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.046 -1.519 -2.266 1.00 0.00 H new ATOM 973 N ASP A 68 -13.041 0.672 -4.312 1.00 0.00 N ATOM 974 CA ASP A 68 -13.418 1.631 -3.280 1.00 0.00 C ATOM 975 C ASP A 68 -12.888 1.200 -1.916 1.00 0.00 C ATOM 976 O ASP A 68 -13.551 1.379 -0.895 1.00 0.00 O ATOM 977 CB ASP A 68 -14.939 1.782 -3.225 1.00 0.00 C ATOM 978 CG ASP A 68 -15.451 2.839 -4.182 1.00 0.00 C ATOM 979 OD1 ASP A 68 -14.960 2.890 -5.329 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.344 3.618 -3.785 1.00 0.00 O ATOM 0 H ASP A 68 -13.647 -0.146 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.974 2.593 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.405 0.825 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.239 2.040 -2.209 1.00 0.00 H new ATOM 985 N GLY A 69 -11.686 0.632 -1.908 1.00 0.00 N ATOM 986 CA GLY A 69 -11.086 0.184 -0.665 1.00 0.00 C ATOM 987 C GLY A 69 -11.419 -1.260 -0.348 1.00 0.00 C ATOM 988 O GLY A 69 -10.529 -2.062 -0.065 1.00 0.00 O ATOM 0 H GLY A 69 -11.117 0.474 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.004 0.299 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.429 0.820 0.151 1.00 0.00 H new ATOM 992 N SER A 70 -12.705 -1.593 -0.393 1.00 0.00 N ATOM 993 CA SER A 70 -13.154 -2.950 -0.107 1.00 0.00 C ATOM 994 C SER A 70 -13.147 -3.804 -1.371 1.00 0.00 C ATOM 995 O SER A 70 -13.460 -3.321 -2.460 1.00 0.00 O ATOM 996 CB SER A 70 -14.558 -2.929 0.501 1.00 0.00 C ATOM 997 OG SER A 70 -15.547 -2.776 -0.503 1.00 0.00 O ATOM 0 H SER A 70 -13.454 -0.941 -0.625 1.00 0.00 H new ATOM 0 HA SER A 70 -12.462 -3.390 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.733 -3.854 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.635 -2.112 1.219 1.00 0.00 H new ATOM 0 HG SER A 70 -16.435 -2.767 -0.089 1.00 0.00 H new ATOM 1003 N VAL A 71 -12.789 -5.075 -1.219 1.00 0.00 N ATOM 1004 CA VAL A 71 -12.742 -5.996 -2.349 1.00 0.00 C ATOM 1005 C VAL A 71 -13.549 -7.258 -2.062 1.00 0.00 C ATOM 1006 O VAL A 71 -13.203 -8.038 -1.174 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.293 -6.393 -2.692 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.251 -7.214 -3.972 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.413 -5.157 -2.814 1.00 0.00 C ATOM 0 H VAL A 71 -12.527 -5.490 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.178 -5.474 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.905 -7.008 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.219 -7.484 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.844 -8.120 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.660 -6.627 -4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.394 -5.458 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.798 -4.512 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.416 -4.614 -1.869 1.00 0.00 H new ATOM 1019 N PHE A 72 -14.623 -7.452 -2.818 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.481 -8.619 -2.644 1.00 0.00 C ATOM 1021 C PHE A 72 -16.075 -8.655 -1.239 1.00 0.00 C ATOM 1022 O PHE A 72 -16.327 -9.726 -0.689 1.00 0.00 O ATOM 1023 CB PHE A 72 -14.689 -9.902 -2.907 1.00 0.00 C ATOM 1024 CG PHE A 72 -13.925 -9.881 -4.201 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -14.578 -9.666 -5.403 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -12.554 -10.080 -4.213 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -13.878 -9.647 -6.594 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -11.849 -10.062 -5.401 1.00 0.00 C ATOM 1029 CZ PHE A 72 -12.510 -9.846 -6.594 1.00 0.00 C ATOM 0 H PHE A 72 -14.921 -6.816 -3.558 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.298 -8.548 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -13.991 -10.064 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.376 -10.748 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -15.647 -9.511 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.031 -10.251 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -14.399 -9.477 -7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.780 -10.217 -5.397 1.00 0.00 H new ATOM 0 HZ PHE A 72 -11.960 -9.833 -7.524 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.295 -7.476 -0.666 1.00 0.00 N ATOM 1040 CA GLY A 73 -16.858 -7.395 0.669 1.00 0.00 C ATOM 1041 C GLY A 73 -15.798 -7.473 1.751 1.00 0.00 C ATOM 1042 O GLY A 73 -16.066 -7.933 2.861 1.00 0.00 O ATOM 0 H GLY A 73 -16.094 -6.576 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.409 -6.460 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.575 -8.205 0.808 1.00 0.00 H new ATOM 1046 N VAL A 74 -14.591 -7.022 1.427 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.487 -7.042 2.378 1.00 0.00 C ATOM 1048 C VAL A 74 -12.798 -5.684 2.450 1.00 0.00 C ATOM 1049 O VAL A 74 -11.984 -5.342 1.593 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.445 -8.113 2.007 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.408 -8.257 3.111 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.125 -9.445 1.727 1.00 0.00 C ATOM 0 H VAL A 74 -14.353 -6.638 0.513 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.914 -7.282 3.352 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.932 -7.795 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.681 -9.019 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.898 -7.305 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.901 -8.551 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.373 -10.190 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.666 -9.771 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.824 -9.330 0.898 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.132 -4.912 3.480 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.546 -3.589 3.664 1.00 0.00 C ATOM 1064 C ARG A 75 -11.160 -3.691 4.292 1.00 0.00 C ATOM 1065 O ARG A 75 -11.020 -4.081 5.452 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.454 -2.725 4.541 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.034 -1.265 4.595 1.00 0.00 C ATOM 1068 CD ARG A 75 -14.144 -0.384 5.147 1.00 0.00 C ATOM 1069 NE ARG A 75 -14.329 0.827 4.351 1.00 0.00 N ATOM 1070 CZ ARG A 75 -15.424 1.583 4.394 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -16.432 1.257 5.193 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -15.511 2.667 3.636 1.00 0.00 N ATOM 0 H ARG A 75 -13.804 -5.180 4.199 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.447 -3.122 2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.475 -2.787 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.461 -3.130 5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.145 -1.164 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.763 -0.926 3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.076 -0.948 5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.911 -0.109 6.176 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.575 1.110 3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.370 0.424 5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.269 1.840 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.739 2.922 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.350 3.246 3.669 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.138 -3.338 3.519 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.763 -3.390 4.000 1.00 0.00 C ATOM 1088 C TYR A 76 -8.376 -2.083 4.685 1.00 0.00 C ATOM 1089 O TYR A 76 -7.702 -2.085 5.715 1.00 0.00 O ATOM 1090 CB TYR A 76 -7.805 -3.673 2.841 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.076 -4.984 2.137 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.111 -5.099 1.217 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.298 -6.106 2.393 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.362 -6.295 0.572 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -7.543 -7.305 1.752 1.00 0.00 C ATOM 1096 CZ TYR A 76 -8.575 -7.395 0.842 1.00 0.00 C ATOM 1097 OH TYR A 76 -8.821 -8.587 0.202 1.00 0.00 O ATOM 0 H TYR A 76 -10.236 -3.013 2.557 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.691 -4.197 4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.874 -2.861 2.117 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.783 -3.678 3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.729 -4.240 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.488 -6.040 3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.171 -6.368 -0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.929 -8.168 1.963 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.049 -8.414 -0.735 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.810 -0.967 4.107 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.511 0.348 4.663 1.00 0.00 C ATOM 1109 C PHE A 77 -9.573 1.365 4.256 1.00 0.00 C ATOM 1110 O PHE A 77 -10.220 1.220 3.219 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.133 0.820 4.197 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.949 0.763 2.707 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.624 -0.431 2.082 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.102 1.901 1.932 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.453 -0.487 0.711 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.933 1.851 0.562 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.608 0.655 -0.050 1.00 0.00 C ATOM 0 H PHE A 77 -9.370 -0.947 3.254 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.511 0.264 5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.976 1.844 4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.368 0.206 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.503 -1.327 2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.356 2.838 2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.198 -1.423 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.055 2.746 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.476 0.614 -1.121 1.00 0.00 H new ATOM 1127 N THR A 78 -9.746 2.392 5.080 1.00 0.00 N ATOM 1128 CA THR A 78 -10.730 3.435 4.807 1.00 0.00 C ATOM 1129 C THR A 78 -10.164 4.476 3.847 1.00 0.00 C ATOM 1130 O THR A 78 -9.255 5.229 4.198 1.00 0.00 O ATOM 1131 CB THR A 78 -11.166 4.107 6.109 1.00 0.00 C ATOM 1132 OG1 THR A 78 -12.053 5.181 5.847 1.00 0.00 O ATOM 1133 CG2 THR A 78 -10.010 4.654 6.918 1.00 0.00 C ATOM 0 H THR A 78 -9.218 2.526 5.943 1.00 0.00 H new ATOM 0 HA THR A 78 -11.598 2.970 4.340 1.00 0.00 H new ATOM 0 HB THR A 78 -11.654 3.323 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.322 5.597 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.390 5.117 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.332 3.841 7.180 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.474 5.398 6.329 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.706 4.512 2.635 1.00 0.00 N ATOM 1142 CA CYS A 79 -10.253 5.462 1.624 1.00 0.00 C ATOM 1143 C CYS A 79 -11.423 5.966 0.786 1.00 0.00 C ATOM 1144 O CYS A 79 -12.537 5.451 0.881 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.206 4.812 0.719 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.747 3.264 -0.043 1.00 0.00 S ATOM 0 H CYS A 79 -11.459 3.896 2.328 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.804 6.313 2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.934 5.516 -0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.305 4.622 1.302 1.00 0.00 H new ATOM 0 HG CYS A 79 -8.847 2.346 0.153 1.00 0.00 H new ATOM 1152 N ALA A 80 -11.161 6.976 -0.037 1.00 0.00 N ATOM 1153 CA ALA A 80 -12.189 7.552 -0.895 1.00 0.00 C ATOM 1154 C ALA A 80 -12.569 6.587 -2.016 1.00 0.00 C ATOM 1155 O ALA A 80 -11.875 5.598 -2.255 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.710 8.876 -1.471 1.00 0.00 C ATOM 0 H ALA A 80 -10.244 7.413 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.078 7.733 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.486 9.297 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.494 9.569 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.806 8.712 -2.058 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.680 6.862 -2.722 1.00 0.00 N ATOM 1163 CA PRO A 81 -14.144 6.010 -3.822 1.00 0.00 C ATOM 1164 C PRO A 81 -13.166 5.995 -4.992 1.00 0.00 C ATOM 1165 O PRO A 81 -12.777 7.045 -5.503 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.472 6.651 -4.242 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.388 8.059 -3.764 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.566 8.020 -2.507 1.00 0.00 C ATOM 0 HA PRO A 81 -14.240 4.968 -3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.606 6.608 -5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.320 6.132 -3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.924 8.699 -4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.381 8.465 -3.569 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.999 8.941 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.189 7.892 -1.622 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.770 4.796 -5.409 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.835 4.642 -6.518 1.00 0.00 C ATOM 1178 C ARG A 82 -10.491 5.286 -6.192 1.00 0.00 C ATOM 1179 O ARG A 82 -9.862 5.906 -7.050 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.414 5.259 -7.794 1.00 0.00 C ATOM 1181 CG ARG A 82 -13.656 4.548 -8.303 1.00 0.00 C ATOM 1182 CD ARG A 82 -13.920 4.869 -9.766 1.00 0.00 C ATOM 1183 NE ARG A 82 -15.037 4.095 -10.303 1.00 0.00 N ATOM 1184 CZ ARG A 82 -15.692 4.413 -11.418 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -15.343 5.487 -12.116 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -16.695 3.654 -11.836 1.00 0.00 N ATOM 0 H ARG A 82 -13.082 3.917 -4.996 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.677 3.576 -6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.656 6.305 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.652 5.244 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.536 3.471 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.517 4.843 -7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.132 5.933 -9.871 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.023 4.664 -10.350 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.332 3.262 -9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.570 6.072 -11.799 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.848 5.727 -12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.965 2.827 -11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.197 3.897 -12.690 1.00 0.00 H new ATOM 1200 N HIS A 83 -10.054 5.134 -4.945 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.784 5.700 -4.505 1.00 0.00 C ATOM 1202 C HIS A 83 -7.794 4.598 -4.145 1.00 0.00 C ATOM 1203 O HIS A 83 -6.597 4.715 -4.412 1.00 0.00 O ATOM 1204 CB HIS A 83 -9.001 6.619 -3.302 1.00 0.00 C ATOM 1205 CG HIS A 83 -9.455 7.996 -3.674 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -9.129 9.131 -2.964 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -10.226 8.412 -4.710 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -9.699 10.177 -3.576 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -10.377 9.795 -4.641 1.00 0.00 N ATOM 0 H HIS A 83 -10.561 4.624 -4.222 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.369 6.282 -5.328 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.740 6.168 -2.640 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.071 6.692 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.654 7.773 -5.468 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -9.615 11.200 -3.241 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.903 10.389 -5.282 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.299 3.529 -3.539 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.444 2.422 -3.153 1.00 0.00 C ATOM 1219 C GLY A 84 -7.063 1.545 -4.329 1.00 0.00 C ATOM 1220 O GLY A 84 -7.799 1.458 -5.311 1.00 0.00 O ATOM 0 H GLY A 84 -9.285 3.409 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.539 2.812 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.954 1.817 -2.403 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.910 0.893 -4.228 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.432 0.017 -5.290 1.00 0.00 C ATOM 1226 C VAL A 85 -4.504 -1.060 -4.738 1.00 0.00 C ATOM 1227 O VAL A 85 -3.624 -0.778 -3.925 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.688 0.810 -6.381 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.658 1.677 -7.167 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.583 1.655 -5.766 1.00 0.00 C ATOM 0 H VAL A 85 -5.289 0.955 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.311 -0.455 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.230 0.101 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.114 2.229 -7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.409 1.045 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.147 2.379 -6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.068 2.208 -6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.016 2.356 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.872 1.007 -5.253 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.707 -2.295 -5.184 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.888 -3.415 -4.734 1.00 0.00 C ATOM 1242 C PHE A 86 -3.001 -3.931 -5.862 1.00 0.00 C ATOM 1243 O PHE A 86 -3.496 -4.412 -6.882 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.777 -4.545 -4.211 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.038 -4.469 -2.733 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.010 -4.650 -1.824 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.314 -4.215 -2.255 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.247 -4.582 -0.464 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.558 -4.145 -0.896 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.523 -4.328 0.000 1.00 0.00 C ATOM 0 H PHE A 86 -5.432 -2.546 -5.857 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.247 -3.062 -3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.729 -4.522 -4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.307 -5.502 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.010 -4.847 -2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.126 -4.070 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.436 -4.727 0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.557 -3.947 -0.535 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.711 -4.273 1.062 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.690 -3.830 -5.672 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.735 -4.289 -6.674 1.00 0.00 C ATOM 1262 C ALA A 87 0.400 -5.081 -6.028 1.00 0.00 C ATOM 1263 O ALA A 87 0.819 -4.777 -4.911 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.181 -3.106 -7.453 1.00 0.00 C ATOM 0 H ALA A 87 -1.264 -3.434 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.257 -4.952 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.531 -3.462 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.998 -2.584 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.322 -2.423 -6.768 1.00 0.00 H new ATOM 1270 N PRO A 88 0.914 -6.112 -6.721 1.00 0.00 N ATOM 1271 CA PRO A 88 2.005 -6.945 -6.204 1.00 0.00 C ATOM 1272 C PRO A 88 3.264 -6.135 -5.913 1.00 0.00 C ATOM 1273 O PRO A 88 3.574 -5.177 -6.619 1.00 0.00 O ATOM 1274 CB PRO A 88 2.269 -7.948 -7.334 1.00 0.00 C ATOM 1275 CG PRO A 88 1.028 -7.942 -8.156 1.00 0.00 C ATOM 1276 CD PRO A 88 0.477 -6.549 -8.059 1.00 0.00 C ATOM 0 HA PRO A 88 1.737 -7.414 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.136 -7.655 -7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.475 -8.943 -6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.244 -8.205 -9.191 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.310 -8.673 -7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.872 -5.903 -8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.609 -6.537 -8.153 1.00 0.00 H new ATOM 1284 N ALA A 89 3.986 -6.527 -4.864 1.00 0.00 N ATOM 1285 CA ALA A 89 5.214 -5.837 -4.483 1.00 0.00 C ATOM 1286 C ALA A 89 6.106 -5.640 -5.699 1.00 0.00 C ATOM 1287 O ALA A 89 6.552 -4.530 -5.986 1.00 0.00 O ATOM 1288 CB ALA A 89 5.948 -6.619 -3.404 1.00 0.00 C ATOM 0 H ALA A 89 3.742 -7.316 -4.266 1.00 0.00 H new ATOM 0 HA ALA A 89 4.954 -4.857 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.862 -6.092 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.309 -6.716 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.200 -7.610 -3.781 1.00 0.00 H new ATOM 1294 N SER A 90 6.338 -6.729 -6.426 1.00 0.00 N ATOM 1295 CA SER A 90 7.152 -6.681 -7.631 1.00 0.00 C ATOM 1296 C SER A 90 6.580 -5.652 -8.598 1.00 0.00 C ATOM 1297 O SER A 90 7.297 -5.104 -9.435 1.00 0.00 O ATOM 1298 CB SER A 90 7.207 -8.056 -8.296 1.00 0.00 C ATOM 1299 OG SER A 90 7.203 -9.093 -7.329 1.00 0.00 O ATOM 0 H SER A 90 5.973 -7.654 -6.200 1.00 0.00 H new ATOM 0 HA SER A 90 8.167 -6.391 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.354 -8.174 -8.964 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.105 -8.131 -8.910 1.00 0.00 H new ATOM 0 HG SER A 90 7.237 -9.962 -7.781 1.00 0.00 H new ATOM 1305 N ARG A 91 5.282 -5.382 -8.461 1.00 0.00 N ATOM 1306 CA ARG A 91 4.616 -4.405 -9.308 1.00 0.00 C ATOM 1307 C ARG A 91 4.690 -3.014 -8.681 1.00 0.00 C ATOM 1308 O ARG A 91 4.421 -2.011 -9.341 1.00 0.00 O ATOM 1309 CB ARG A 91 3.154 -4.801 -9.534 1.00 0.00 C ATOM 1310 CG ARG A 91 2.937 -5.645 -10.780 1.00 0.00 C ATOM 1311 CD ARG A 91 2.167 -4.884 -11.848 1.00 0.00 C ATOM 1312 NE ARG A 91 1.203 -5.736 -12.539 1.00 0.00 N ATOM 1313 CZ ARG A 91 -0.011 -6.016 -12.071 1.00 0.00 C ATOM 1314 NH1 ARG A 91 -0.418 -5.512 -10.913 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -0.824 -6.802 -12.765 1.00 0.00 N ATOM 0 H ARG A 91 4.676 -5.827 -7.772 1.00 0.00 H new ATOM 0 HA ARG A 91 5.127 -4.383 -10.271 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.798 -5.353 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.549 -3.897 -9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.901 -5.958 -11.180 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.393 -6.551 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.645 -4.044 -11.389 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.867 -4.467 -12.572 1.00 0.00 H new ATOM 0 HE ARG A 91 1.477 -6.141 -13.434 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.201 -4.905 -10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.350 -5.731 -10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.518 -7.191 -13.657 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.754 -7.017 -12.407 1.00 0.00 H new ATOM 1329 N ILE A 92 5.060 -2.960 -7.400 1.00 0.00 N ATOM 1330 CA ILE A 92 5.171 -1.689 -6.693 1.00 0.00 C ATOM 1331 C ILE A 92 6.628 -1.355 -6.391 1.00 0.00 C ATOM 1332 O ILE A 92 7.468 -2.246 -6.271 1.00 0.00 O ATOM 1333 CB ILE A 92 4.374 -1.707 -5.373 1.00 0.00 C ATOM 1334 CG1 ILE A 92 2.936 -2.163 -5.627 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.392 -0.332 -4.722 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.160 -2.447 -4.359 1.00 0.00 C ATOM 0 H ILE A 92 5.286 -3.779 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 92 4.754 -0.925 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 92 4.846 -2.415 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.415 -1.394 -6.198 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.952 -3.062 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.825 -0.362 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.421 -0.043 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.942 0.396 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.149 -2.765 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.658 -3.237 -3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.113 -1.543 -3.751 1.00 0.00 H new ATOM 1348 N GLN A 93 6.920 -0.065 -6.267 1.00 0.00 N ATOM 1349 CA GLN A 93 8.276 0.388 -5.979 1.00 0.00 C ATOM 1350 C GLN A 93 8.337 1.090 -4.625 1.00 0.00 C ATOM 1351 O GLN A 93 7.326 1.216 -3.935 1.00 0.00 O ATOM 1352 CB GLN A 93 8.767 1.331 -7.080 1.00 0.00 C ATOM 1353 CG GLN A 93 9.585 0.635 -8.156 1.00 0.00 C ATOM 1354 CD GLN A 93 9.130 0.991 -9.558 1.00 0.00 C ATOM 1355 OE1 GLN A 93 9.026 0.127 -10.428 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.853 2.270 -9.784 1.00 0.00 N ATOM 0 H GLN A 93 6.236 0.686 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 93 8.926 -0.486 -5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.907 1.813 -7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.370 2.119 -6.630 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.635 0.904 -8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.515 -0.444 -8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.953 2.954 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.540 2.569 -10.708 1.00 0.00 H new ATOM 1365 N ARG A 94 9.529 1.544 -4.253 1.00 0.00 N ATOM 1366 CA ARG A 94 9.721 2.233 -2.981 1.00 0.00 C ATOM 1367 C ARG A 94 10.309 3.623 -3.199 1.00 0.00 C ATOM 1368 O ARG A 94 11.131 3.829 -4.091 1.00 0.00 O ATOM 1369 CB ARG A 94 10.636 1.413 -2.066 1.00 0.00 C ATOM 1370 CG ARG A 94 10.067 1.195 -0.674 1.00 0.00 C ATOM 1371 CD ARG A 94 10.987 0.332 0.174 1.00 0.00 C ATOM 1372 NE ARG A 94 11.910 1.138 0.971 1.00 0.00 N ATOM 1373 CZ ARG A 94 13.035 0.667 1.504 1.00 0.00 C ATOM 1374 NH1 ARG A 94 13.379 -0.604 1.330 1.00 0.00 N ATOM 1375 NH2 ARG A 94 13.818 1.468 2.213 1.00 0.00 N ATOM 0 H ARG A 94 10.376 1.448 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 94 8.747 2.343 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.824 0.444 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.598 1.918 -1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.917 2.158 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.089 0.721 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.389 -0.295 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.555 -0.337 -0.472 1.00 0.00 H new ATOM 0 HE ARG A 94 11.678 2.119 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.780 -1.225 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.242 -0.960 1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.558 2.445 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.680 1.107 2.622 1.00 0.00 H new ATOM 1389 N ILE A 95 9.883 4.576 -2.375 1.00 0.00 N ATOM 1390 CA ILE A 95 10.367 5.947 -2.475 1.00 0.00 C ATOM 1391 C ILE A 95 11.190 6.331 -1.251 1.00 0.00 C ATOM 1392 O ILE A 95 12.171 7.068 -1.354 1.00 0.00 O ATOM 1393 CB ILE A 95 9.203 6.945 -2.630 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.246 6.481 -3.729 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.735 8.337 -2.934 1.00 0.00 C ATOM 1396 CD1 ILE A 95 6.893 7.155 -3.677 1.00 0.00 C ATOM 0 H ILE A 95 9.203 4.423 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 95 10.997 5.994 -3.363 1.00 0.00 H new ATOM 0 HB ILE A 95 8.652 6.986 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.701 6.673 -4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.109 5.403 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.901 9.030 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.379 8.667 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.308 8.313 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.267 6.777 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.417 6.942 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.019 8.232 -3.788 1.00 0.00 H new