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 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0.0263 USER MOD Set 2.2: A 56 TYR OH : rot -77:sc= 1 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00603) USER MOD Single : A 39 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 48 THR OG1 : rot 49:sc= 0.942 USER MOD Single : A 62 GLN : amide:sc= -0.0808 X(o=-0.081,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.616 (180deg=-0.836) USER MOD Single : A 67 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.8) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 77:sc= 0.169 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 79 CYS SG : rot -137:sc= -1.37 USER MOD Single : A 83 HIS : no HD1:sc= -6.09! C(o=-6.1!,f=-5.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0062 USER MOD Single : A 93 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 8.272 -2.295 0.794 1.00 0.00 N ATOM 331 CA ALA A 26 7.749 -1.202 1.605 1.00 0.00 C ATOM 332 C ALA A 26 6.963 -1.731 2.800 1.00 0.00 C ATOM 333 O ALA A 26 6.648 -2.919 2.871 1.00 0.00 O ATOM 334 CB ALA A 26 6.877 -0.288 0.756 1.00 0.00 C ATOM 0 HA ALA A 26 8.593 -0.628 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.492 0.524 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.470 0.126 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.043 -0.858 0.346 1.00 0.00 H new ATOM 340 N GLU A 27 6.649 -0.842 3.736 1.00 0.00 N ATOM 341 CA GLU A 27 5.899 -1.219 4.928 1.00 0.00 C ATOM 342 C GLU A 27 4.539 -0.529 4.956 1.00 0.00 C ATOM 343 O GLU A 27 4.149 0.136 3.994 1.00 0.00 O ATOM 344 CB GLU A 27 6.690 -0.863 6.188 1.00 0.00 C ATOM 345 CG GLU A 27 8.156 -1.258 6.118 1.00 0.00 C ATOM 346 CD GLU A 27 8.661 -1.861 7.413 1.00 0.00 C ATOM 347 OE1 GLU A 27 8.704 -1.134 8.429 1.00 0.00 O ATOM 348 OE2 GLU A 27 9.014 -3.059 7.414 1.00 0.00 O ATOM 0 H GLU A 27 6.902 0.145 3.692 1.00 0.00 H new ATOM 0 HA GLU A 27 5.739 -2.297 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.620 0.211 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.231 -1.354 7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.297 -1.975 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.754 -0.380 5.873 1.00 0.00 H new ATOM 355 N VAL A 28 3.821 -0.687 6.063 1.00 0.00 N ATOM 356 CA VAL A 28 2.505 -0.078 6.214 1.00 0.00 C ATOM 357 C VAL A 28 2.623 1.393 6.597 1.00 0.00 C ATOM 358 O VAL A 28 2.818 1.726 7.767 1.00 0.00 O ATOM 359 CB VAL A 28 1.665 -0.809 7.279 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.235 -0.291 7.280 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.696 -2.311 7.045 1.00 0.00 C ATOM 0 H VAL A 28 4.129 -1.232 6.869 1.00 0.00 H new ATOM 0 HA VAL A 28 2.005 -0.162 5.249 1.00 0.00 H new ATOM 0 HB VAL A 28 2.100 -0.609 8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.343 -0.819 8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.235 0.776 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.213 -0.458 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.097 -2.810 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.288 -2.534 6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.725 -2.667 7.101 1.00 0.00 H new ATOM 371 N GLY A 29 2.503 2.269 5.606 1.00 0.00 N ATOM 372 CA GLY A 29 2.597 3.695 5.859 1.00 0.00 C ATOM 373 C GLY A 29 3.844 4.308 5.255 1.00 0.00 C ATOM 374 O GLY A 29 4.375 5.291 5.775 1.00 0.00 O ATOM 0 H GLY A 29 2.342 2.017 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.717 4.192 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.593 3.871 6.935 1.00 0.00 H new ATOM 378 N ASP A 30 4.314 3.729 4.155 1.00 0.00 N ATOM 379 CA ASP A 30 5.507 4.225 3.479 1.00 0.00 C ATOM 380 C ASP A 30 5.203 4.575 2.026 1.00 0.00 C ATOM 381 O ASP A 30 4.382 3.925 1.379 1.00 0.00 O ATOM 382 CB ASP A 30 6.626 3.183 3.543 1.00 0.00 C ATOM 383 CG ASP A 30 7.989 3.812 3.759 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.431 4.587 2.884 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.614 3.530 4.802 1.00 0.00 O ATOM 0 H ASP A 30 3.887 2.915 3.713 1.00 0.00 H new ATOM 0 HA ASP A 30 5.834 5.130 3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.420 2.482 4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.637 2.608 2.617 1.00 0.00 H new ATOM 390 N GLN A 31 5.872 5.605 1.518 1.00 0.00 N ATOM 391 CA GLN A 31 5.674 6.041 0.140 1.00 0.00 C ATOM 392 C GLN A 31 6.033 4.927 -0.838 1.00 0.00 C ATOM 393 O GLN A 31 7.092 4.310 -0.731 1.00 0.00 O ATOM 394 CB GLN A 31 6.519 7.283 -0.150 1.00 0.00 C ATOM 395 CG GLN A 31 5.759 8.588 0.021 1.00 0.00 C ATOM 396 CD GLN A 31 6.670 9.800 0.008 1.00 0.00 C ATOM 397 OE1 GLN A 31 7.558 9.914 -0.836 1.00 0.00 O ATOM 398 NE2 GLN A 31 6.454 10.712 0.949 1.00 0.00 N ATOM 0 H GLN A 31 6.556 6.153 2.040 1.00 0.00 H new ATOM 0 HA GLN A 31 4.621 6.289 0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.384 7.286 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.899 7.224 -1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.023 8.683 -0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.208 8.563 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.706 10.576 1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.036 11.548 0.992 1.00 0.00 H new ATOM 407 N VAL A 32 5.142 4.675 -1.792 1.00 0.00 N ATOM 408 CA VAL A 32 5.364 3.636 -2.790 1.00 0.00 C ATOM 409 C VAL A 32 4.891 4.087 -4.168 1.00 0.00 C ATOM 410 O VAL A 32 4.263 5.137 -4.306 1.00 0.00 O ATOM 411 CB VAL A 32 4.639 2.331 -2.414 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.314 1.668 -1.223 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.171 2.600 -2.122 1.00 0.00 C ATOM 0 H VAL A 32 4.260 5.176 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 32 6.438 3.451 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 32 4.698 1.648 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.787 0.747 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.349 1.437 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.290 2.344 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.675 1.666 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.088 3.302 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.696 3.026 -3.006 1.00 0.00 H new ATOM 423 N LEU A 33 5.197 3.288 -5.184 1.00 0.00 N ATOM 424 CA LEU A 33 4.804 3.605 -6.552 1.00 0.00 C ATOM 425 C LEU A 33 4.215 2.382 -7.246 1.00 0.00 C ATOM 426 O LEU A 33 4.926 1.423 -7.543 1.00 0.00 O ATOM 427 CB LEU A 33 6.006 4.126 -7.342 1.00 0.00 C ATOM 428 CG LEU A 33 5.662 4.824 -8.659 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.700 5.976 -8.417 1.00 0.00 C ATOM 430 CD2 LEU A 33 6.928 5.319 -9.344 1.00 0.00 C ATOM 0 H LEU A 33 5.716 2.416 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 33 4.040 4.381 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.560 4.823 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.672 3.290 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 33 5.174 4.103 -9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.467 6.461 -9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.782 5.596 -7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.160 6.699 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.666 5.813 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.442 6.025 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.584 4.473 -9.552 1.00 0.00 H new ATOM 442 N VAL A 34 2.911 2.423 -7.502 1.00 0.00 N ATOM 443 CA VAL A 34 2.227 1.317 -8.160 1.00 0.00 C ATOM 444 C VAL A 34 2.487 1.327 -9.662 1.00 0.00 C ATOM 445 O VAL A 34 2.165 2.294 -10.352 1.00 0.00 O ATOM 446 CB VAL A 34 0.707 1.366 -7.914 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.040 0.105 -8.438 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.412 1.560 -6.435 1.00 0.00 C ATOM 0 H VAL A 34 2.308 3.210 -7.264 1.00 0.00 H new ATOM 0 HA VAL A 34 2.626 0.399 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 34 0.297 2.217 -8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.033 0.158 -8.255 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.222 0.016 -9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.453 -0.764 -7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.666 1.592 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.835 0.731 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.855 2.496 -6.095 1.00 0.00 H new ATOM 458 N ALA A 35 3.071 0.243 -10.163 1.00 0.00 N ATOM 459 CA ALA A 35 3.375 0.125 -11.585 1.00 0.00 C ATOM 460 C ALA A 35 4.286 1.257 -12.050 1.00 0.00 C ATOM 461 O ALA A 35 4.270 1.638 -13.220 1.00 0.00 O ATOM 462 CB ALA A 35 2.089 0.114 -12.398 1.00 0.00 C ATOM 0 H ALA A 35 3.343 -0.566 -9.605 1.00 0.00 H new ATOM 0 HA ALA A 35 3.902 -0.816 -11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.329 0.026 -13.458 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.473 -0.732 -12.094 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.542 1.041 -12.226 1.00 0.00 H new ATOM 468 N GLY A 36 5.081 1.790 -11.127 1.00 0.00 N ATOM 469 CA GLY A 36 5.988 2.872 -11.465 1.00 0.00 C ATOM 470 C GLY A 36 5.272 4.068 -12.060 1.00 0.00 C ATOM 471 O GLY A 36 5.830 4.784 -12.891 1.00 0.00 O ATOM 0 H GLY A 36 5.113 1.492 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.526 3.184 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.732 2.509 -12.174 1.00 0.00 H new ATOM 475 N GLN A 37 4.031 4.286 -11.635 1.00 0.00 N ATOM 476 CA GLN A 37 3.238 5.404 -12.132 1.00 0.00 C ATOM 477 C GLN A 37 2.429 6.042 -11.007 1.00 0.00 C ATOM 478 O GLN A 37 2.747 7.137 -10.544 1.00 0.00 O ATOM 479 CB GLN A 37 2.302 4.935 -13.248 1.00 0.00 C ATOM 480 CG GLN A 37 3.031 4.447 -14.488 1.00 0.00 C ATOM 481 CD GLN A 37 2.086 4.101 -15.622 1.00 0.00 C ATOM 482 OE1 GLN A 37 0.926 3.756 -15.396 1.00 0.00 O ATOM 483 NE2 GLN A 37 2.579 4.191 -16.852 1.00 0.00 N ATOM 0 H GLN A 37 3.553 3.703 -10.948 1.00 0.00 H new ATOM 0 HA GLN A 37 3.922 6.153 -12.531 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.671 4.132 -12.868 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.641 5.756 -13.525 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.727 5.216 -14.822 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.625 3.569 -14.234 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.547 4.481 -16.994 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.990 3.970 -17.655 1.00 0.00 H new ATOM 492 N LYS A 38 1.382 5.349 -10.571 1.00 0.00 N ATOM 493 CA LYS A 38 0.527 5.848 -9.499 1.00 0.00 C ATOM 494 C LYS A 38 1.277 5.868 -8.171 1.00 0.00 C ATOM 495 O LYS A 38 1.479 4.827 -7.546 1.00 0.00 O ATOM 496 CB LYS A 38 -0.730 4.986 -9.376 1.00 0.00 C ATOM 497 CG LYS A 38 -1.516 4.865 -10.672 1.00 0.00 C ATOM 498 CD LYS A 38 -2.444 3.662 -10.648 1.00 0.00 C ATOM 499 CE LYS A 38 -3.546 3.788 -11.688 1.00 0.00 C ATOM 500 NZ LYS A 38 -3.002 3.817 -13.074 1.00 0.00 N ATOM 0 H LYS A 38 1.105 4.441 -10.943 1.00 0.00 H new ATOM 0 HA LYS A 38 0.235 6.869 -9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.445 3.989 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.377 5.409 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.098 5.772 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.826 4.777 -11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.870 2.754 -10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.887 3.562 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.238 2.952 -11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.117 4.698 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.788 3.852 -13.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.402 4.658 -13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.436 2.961 -13.243 1.00 0.00 H new ATOM 514 N GLN A 39 1.683 7.059 -7.743 1.00 0.00 N ATOM 515 CA GLN A 39 2.408 7.212 -6.488 1.00 0.00 C ATOM 516 C GLN A 39 1.442 7.326 -5.314 1.00 0.00 C ATOM 517 O GLN A 39 0.440 8.037 -5.387 1.00 0.00 O ATOM 518 CB GLN A 39 3.310 8.447 -6.542 1.00 0.00 C ATOM 519 CG GLN A 39 4.533 8.346 -5.644 1.00 0.00 C ATOM 520 CD GLN A 39 4.481 9.312 -4.475 1.00 0.00 C ATOM 521 OE1 GLN A 39 4.674 10.516 -4.641 1.00 0.00 O ATOM 522 NE2 GLN A 39 4.218 8.785 -3.284 1.00 0.00 N ATOM 0 H GLN A 39 1.522 7.931 -8.247 1.00 0.00 H new ATOM 0 HA GLN A 39 3.026 6.326 -6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.636 8.604 -7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.730 9.324 -6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.618 7.327 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.429 8.542 -6.233 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.065 7.781 -3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.169 9.385 -2.460 1.00 0.00 H new ATOM 531 N GLY A 40 1.749 6.620 -4.231 1.00 0.00 N ATOM 532 CA GLY A 40 0.899 6.656 -3.056 1.00 0.00 C ATOM 533 C GLY A 40 1.588 6.104 -1.823 1.00 0.00 C ATOM 534 O GLY A 40 2.811 5.968 -1.797 1.00 0.00 O ATOM 0 H GLY A 40 2.572 6.023 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.591 7.684 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.007 6.082 -3.249 1.00 0.00 H new ATOM 538 N ILE A 41 0.802 5.787 -0.800 1.00 0.00 N ATOM 539 CA ILE A 41 1.344 5.247 0.441 1.00 0.00 C ATOM 540 C ILE A 41 0.582 4.001 0.878 1.00 0.00 C ATOM 541 O ILE A 41 -0.643 3.942 0.772 1.00 0.00 O ATOM 542 CB ILE A 41 1.296 6.290 1.574 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.877 7.622 1.098 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.050 5.781 2.794 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.767 8.730 2.123 1.00 0.00 C ATOM 0 H ILE A 41 -0.212 5.895 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 41 2.383 4.982 0.244 1.00 0.00 H new ATOM 0 HB ILE A 41 0.255 6.451 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.926 7.480 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.363 7.928 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.007 6.529 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.593 4.855 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.090 5.594 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.199 9.645 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.718 8.900 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.305 8.444 3.027 1.00 0.00 H new ATOM 557 N VAL A 42 1.315 3.007 1.367 1.00 0.00 N ATOM 558 CA VAL A 42 0.707 1.761 1.819 1.00 0.00 C ATOM 559 C VAL A 42 -0.107 1.978 3.089 1.00 0.00 C ATOM 560 O VAL A 42 0.405 2.478 4.091 1.00 0.00 O ATOM 561 CB VAL A 42 1.773 0.680 2.084 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.114 -0.659 2.381 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.722 0.564 0.899 1.00 0.00 C ATOM 0 H VAL A 42 2.330 3.040 1.461 1.00 0.00 H new ATOM 0 HA VAL A 42 0.047 1.422 1.020 1.00 0.00 H new ATOM 0 HB VAL A 42 2.354 0.975 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.882 -1.410 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.480 -0.565 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.507 -0.963 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.468 -0.204 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.158 0.293 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.220 1.520 0.737 1.00 0.00 H new ATOM 573 N ARG A 43 -1.381 1.600 3.041 1.00 0.00 N ATOM 574 CA ARG A 43 -2.268 1.754 4.188 1.00 0.00 C ATOM 575 C ARG A 43 -2.533 0.411 4.857 1.00 0.00 C ATOM 576 O ARG A 43 -2.715 0.335 6.072 1.00 0.00 O ATOM 577 CB ARG A 43 -3.589 2.392 3.755 1.00 0.00 C ATOM 578 CG ARG A 43 -3.497 3.892 3.533 1.00 0.00 C ATOM 579 CD ARG A 43 -3.442 4.648 4.851 1.00 0.00 C ATOM 580 NE ARG A 43 -3.707 6.074 4.674 1.00 0.00 N ATOM 581 CZ ARG A 43 -3.892 6.923 5.682 1.00 0.00 C ATOM 582 NH1 ARG A 43 -3.843 6.494 6.938 1.00 0.00 N ATOM 583 NH2 ARG A 43 -4.127 8.204 5.435 1.00 0.00 N ATOM 0 H ARG A 43 -1.822 1.185 2.220 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.777 2.406 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.927 1.917 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.345 2.191 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.608 4.120 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.357 4.229 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.172 4.226 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.460 4.515 5.305 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.753 6.440 3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.663 5.509 7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.986 7.149 7.707 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.166 8.539 4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.269 8.855 6.208 1.00 0.00 H new ATOM 597 N PHE A 44 -2.556 -0.650 4.055 1.00 0.00 N ATOM 598 CA PHE A 44 -2.801 -1.991 4.572 1.00 0.00 C ATOM 599 C PHE A 44 -1.958 -3.024 3.831 1.00 0.00 C ATOM 600 O PHE A 44 -2.101 -3.204 2.621 1.00 0.00 O ATOM 601 CB PHE A 44 -4.284 -2.345 4.448 1.00 0.00 C ATOM 602 CG PHE A 44 -4.641 -3.667 5.065 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.516 -4.841 4.340 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.102 -3.735 6.370 1.00 0.00 C ATOM 605 CE1 PHE A 44 -4.845 -6.058 4.904 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.431 -4.950 6.940 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.303 -6.113 6.206 1.00 0.00 C ATOM 0 H PHE A 44 -2.408 -0.606 3.047 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.517 -2.004 5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.877 -1.561 4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.558 -2.360 3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.157 -4.804 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.205 -2.828 6.948 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.744 -6.966 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.788 -4.990 7.959 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.561 -7.064 6.649 1.00 0.00 H new ATOM 617 N TYR A 45 -1.080 -3.700 4.565 1.00 0.00 N ATOM 618 CA TYR A 45 -0.214 -4.716 3.978 1.00 0.00 C ATOM 619 C TYR A 45 -0.571 -6.104 4.503 1.00 0.00 C ATOM 620 O TYR A 45 -0.474 -6.369 5.700 1.00 0.00 O ATOM 621 CB TYR A 45 1.253 -4.406 4.283 1.00 0.00 C ATOM 622 CG TYR A 45 2.220 -5.394 3.672 1.00 0.00 C ATOM 623 CD1 TYR A 45 2.050 -5.846 2.369 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.303 -5.875 4.397 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.931 -6.751 1.807 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.189 -6.779 3.841 1.00 0.00 C ATOM 627 CZ TYR A 45 3.998 -7.213 2.546 1.00 0.00 C ATOM 628 OH TYR A 45 4.877 -8.113 1.990 1.00 0.00 O ATOM 0 H TYR A 45 -0.950 -3.563 5.567 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.364 -4.704 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.488 -3.407 3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.396 -4.392 5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.216 -5.484 1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.455 -5.537 5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.784 -7.094 0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.026 -7.143 4.418 1.00 0.00 H new ATOM 0 HH TYR A 45 5.573 -8.337 2.643 1.00 0.00 H new ATOM 638 N GLY A 46 -0.986 -6.983 3.597 1.00 0.00 N ATOM 639 CA GLY A 46 -1.351 -8.333 3.988 1.00 0.00 C ATOM 640 C GLY A 46 -1.961 -9.122 2.847 1.00 0.00 C ATOM 641 O GLY A 46 -2.267 -8.566 1.792 1.00 0.00 O ATOM 0 H GLY A 46 -1.076 -6.786 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.466 -8.854 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.060 -8.289 4.815 1.00 0.00 H new ATOM 645 N LYS A 47 -2.139 -10.422 3.057 1.00 0.00 N ATOM 646 CA LYS A 47 -2.717 -11.290 2.038 1.00 0.00 C ATOM 647 C LYS A 47 -4.180 -10.940 1.790 1.00 0.00 C ATOM 648 O LYS A 47 -4.888 -10.507 2.699 1.00 0.00 O ATOM 649 CB LYS A 47 -2.596 -12.756 2.458 1.00 0.00 C ATOM 650 CG LYS A 47 -1.260 -13.385 2.096 1.00 0.00 C ATOM 651 CD LYS A 47 -1.198 -14.843 2.523 1.00 0.00 C ATOM 652 CE LYS A 47 0.212 -15.401 2.405 1.00 0.00 C ATOM 653 NZ LYS A 47 0.644 -16.083 3.657 1.00 0.00 N ATOM 0 H LYS A 47 -1.891 -10.898 3.924 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.164 -11.138 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.743 -12.830 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.396 -13.327 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.102 -13.313 1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.453 -12.830 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.542 -14.936 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.876 -15.433 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.256 -16.105 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.905 -14.592 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.610 -16.450 3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.626 -15.405 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.002 -16.871 3.864 1.00 0.00 H new ATOM 667 N THR A 48 -4.628 -11.130 0.553 1.00 0.00 N ATOM 668 CA THR A 48 -6.007 -10.835 0.184 1.00 0.00 C ATOM 669 C THR A 48 -6.789 -12.120 -0.070 1.00 0.00 C ATOM 670 O THR A 48 -6.216 -13.207 -0.122 1.00 0.00 O ATOM 671 CB THR A 48 -6.046 -9.947 -1.060 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.167 -10.439 -2.056 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.664 -8.509 -0.780 1.00 0.00 C ATOM 0 H THR A 48 -4.055 -11.487 -0.211 1.00 0.00 H new ATOM 0 HA THR A 48 -6.473 -10.305 1.015 1.00 0.00 H new ATOM 0 HB THR A 48 -7.081 -9.972 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.314 -11.401 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.712 -7.933 -1.704 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.355 -8.084 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.650 -8.473 -0.382 1.00 0.00 H new ATOM 681 N ASP A 49 -8.102 -11.986 -0.229 1.00 0.00 N ATOM 682 CA ASP A 49 -8.963 -13.136 -0.478 1.00 0.00 C ATOM 683 C ASP A 49 -9.263 -13.278 -1.967 1.00 0.00 C ATOM 684 O ASP A 49 -9.451 -14.386 -2.469 1.00 0.00 O ATOM 685 CB ASP A 49 -10.268 -13.001 0.307 1.00 0.00 C ATOM 686 CG ASP A 49 -10.847 -14.345 0.702 1.00 0.00 C ATOM 687 OD1 ASP A 49 -10.071 -15.318 0.804 1.00 0.00 O ATOM 688 OD2 ASP A 49 -12.076 -14.424 0.910 1.00 0.00 O ATOM 0 H ASP A 49 -8.592 -11.093 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.438 -14.031 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.090 -12.408 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.996 -12.458 -0.295 1.00 0.00 H new ATOM 693 N PHE A 50 -9.307 -12.149 -2.667 1.00 0.00 N ATOM 694 CA PHE A 50 -9.585 -12.148 -4.098 1.00 0.00 C ATOM 695 C PHE A 50 -8.455 -12.817 -4.873 1.00 0.00 C ATOM 696 O PHE A 50 -8.684 -13.441 -5.911 1.00 0.00 O ATOM 697 CB PHE A 50 -9.785 -10.716 -4.600 1.00 0.00 C ATOM 698 CG PHE A 50 -8.604 -9.822 -4.346 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.453 -9.942 -5.107 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.647 -8.862 -3.349 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.365 -9.121 -4.878 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.563 -8.038 -3.114 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.420 -8.168 -3.880 1.00 0.00 C ATOM 0 H PHE A 50 -9.154 -11.224 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.501 -12.715 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.989 -10.740 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.664 -10.289 -4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.405 -10.686 -5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.538 -8.756 -2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.473 -9.225 -5.478 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.609 -7.294 -2.333 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.571 -7.525 -3.698 1.00 0.00 H new ATOM 713 N ALA A 51 -7.234 -12.684 -4.365 1.00 0.00 N ATOM 714 CA ALA A 51 -6.068 -13.276 -5.010 1.00 0.00 C ATOM 715 C ALA A 51 -5.009 -13.665 -3.981 1.00 0.00 C ATOM 716 O ALA A 51 -4.915 -13.057 -2.915 1.00 0.00 O ATOM 717 CB ALA A 51 -5.485 -12.311 -6.031 1.00 0.00 C ATOM 0 H ALA A 51 -7.027 -12.171 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.388 -14.183 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.615 -12.765 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.235 -12.086 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.186 -11.389 -5.531 1.00 0.00 H new ATOM 723 N PRO A 52 -4.195 -14.689 -4.289 1.00 0.00 N ATOM 724 CA PRO A 52 -3.139 -15.158 -3.386 1.00 0.00 C ATOM 725 C PRO A 52 -1.986 -14.166 -3.280 1.00 0.00 C ATOM 726 O PRO A 52 -2.095 -13.023 -3.725 1.00 0.00 O ATOM 727 CB PRO A 52 -2.667 -16.459 -4.035 1.00 0.00 C ATOM 728 CG PRO A 52 -2.984 -16.295 -5.482 1.00 0.00 C ATOM 729 CD PRO A 52 -4.239 -15.470 -5.540 1.00 0.00 C ATOM 0 HA PRO A 52 -3.501 -15.283 -2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.600 -16.615 -3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.181 -17.322 -3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.167 -15.800 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.131 -17.263 -5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.254 -14.823 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.129 -16.097 -5.591 1.00 0.00 H new ATOM 737 N GLY A 53 -0.882 -14.609 -2.688 1.00 0.00 N ATOM 738 CA GLY A 53 0.275 -13.748 -2.535 1.00 0.00 C ATOM 739 C GLY A 53 0.005 -12.572 -1.618 1.00 0.00 C ATOM 740 O GLY A 53 -1.077 -12.461 -1.042 1.00 0.00 O ATOM 0 H GLY A 53 -0.768 -15.550 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.107 -14.330 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.581 -13.379 -3.514 1.00 0.00 H new ATOM 744 N TYR A 54 0.991 -11.692 -1.482 1.00 0.00 N ATOM 745 CA TYR A 54 0.854 -10.517 -0.628 1.00 0.00 C ATOM 746 C TYR A 54 0.691 -9.252 -1.464 1.00 0.00 C ATOM 747 O TYR A 54 1.478 -8.991 -2.372 1.00 0.00 O ATOM 748 CB TYR A 54 2.071 -10.383 0.289 1.00 0.00 C ATOM 749 CG TYR A 54 1.901 -11.064 1.628 1.00 0.00 C ATOM 750 CD1 TYR A 54 1.060 -10.530 2.598 1.00 0.00 C ATOM 751 CD2 TYR A 54 2.579 -12.239 1.924 1.00 0.00 C ATOM 752 CE1 TYR A 54 0.902 -11.149 3.824 1.00 0.00 C ATOM 753 CE2 TYR A 54 2.425 -12.864 3.147 1.00 0.00 C ATOM 754 CZ TYR A 54 1.586 -12.315 4.093 1.00 0.00 C ATOM 755 OH TYR A 54 1.431 -12.934 5.312 1.00 0.00 O ATOM 0 H TYR A 54 1.893 -11.770 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.040 -10.645 -0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.942 -10.803 -0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.277 -9.325 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.522 -9.617 2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.238 -12.672 1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.246 -10.721 4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.959 -13.778 3.360 1.00 0.00 H new ATOM 0 HH TYR A 54 1.982 -13.744 5.340 1.00 0.00 H new ATOM 765 N TRP A 55 -0.338 -8.470 -1.149 1.00 0.00 N ATOM 766 CA TRP A 55 -0.606 -7.232 -1.871 1.00 0.00 C ATOM 767 C TRP A 55 -0.467 -6.025 -0.949 1.00 0.00 C ATOM 768 O TRP A 55 -0.266 -6.172 0.257 1.00 0.00 O ATOM 769 CB TRP A 55 -2.009 -7.265 -2.478 1.00 0.00 C ATOM 770 CG TRP A 55 -2.230 -8.422 -3.403 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.312 -9.741 -3.060 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.395 -8.365 -4.824 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.518 -10.507 -4.182 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.574 -9.685 -5.277 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.410 -7.324 -5.758 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.764 -9.992 -6.622 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.599 -7.630 -7.092 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.774 -8.955 -7.514 1.00 0.00 C ATOM 0 H TRP A 55 -0.999 -8.672 -0.399 1.00 0.00 H new ATOM 0 HA TRP A 55 0.127 -7.142 -2.673 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.744 -7.307 -1.674 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.184 -6.336 -3.021 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.227 -10.126 -2.054 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.614 -11.522 -4.197 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.276 -6.300 -5.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.899 -11.012 -6.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.612 -6.834 -7.822 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.920 -9.161 -8.564 1.00 0.00 H new ATOM 789 N TYR A 56 -0.573 -4.831 -1.524 1.00 0.00 N ATOM 790 CA TYR A 56 -0.458 -3.598 -0.752 1.00 0.00 C ATOM 791 C TYR A 56 -1.679 -2.708 -0.962 1.00 0.00 C ATOM 792 O TYR A 56 -1.990 -2.320 -2.088 1.00 0.00 O ATOM 793 CB TYR A 56 0.811 -2.841 -1.148 1.00 0.00 C ATOM 794 CG TYR A 56 2.086 -3.515 -0.691 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.474 -4.741 -1.219 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.901 -2.925 0.266 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.637 -5.359 -0.804 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.067 -3.538 0.685 1.00 0.00 C ATOM 799 CZ TYR A 56 4.430 -4.755 0.147 1.00 0.00 C ATOM 800 OH TYR A 56 5.590 -5.367 0.562 1.00 0.00 O ATOM 0 H TYR A 56 -0.738 -4.691 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.401 -3.864 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.836 -2.733 -2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.770 -1.836 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.856 -5.218 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.619 -1.972 0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.924 -6.312 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.691 -3.066 1.430 1.00 0.00 H new ATOM 0 HH TYR A 56 5.373 -6.090 1.187 1.00 0.00 H new ATOM 810 N GLY A 57 -2.366 -2.388 0.129 1.00 0.00 N ATOM 811 CA GLY A 57 -3.544 -1.545 0.044 1.00 0.00 C ATOM 812 C GLY A 57 -3.197 -0.071 -0.011 1.00 0.00 C ATOM 813 O GLY A 57 -3.573 0.695 0.876 1.00 0.00 O ATOM 0 H GLY A 57 -2.128 -2.698 1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.117 -1.814 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.185 -1.733 0.906 1.00 0.00 H new ATOM 817 N ILE A 58 -2.478 0.327 -1.055 1.00 0.00 N ATOM 818 CA ILE A 58 -2.080 1.720 -1.222 1.00 0.00 C ATOM 819 C ILE A 58 -3.286 2.604 -1.521 1.00 0.00 C ATOM 820 O ILE A 58 -4.178 2.219 -2.277 1.00 0.00 O ATOM 821 CB ILE A 58 -1.045 1.879 -2.355 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.125 0.915 -2.146 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.547 3.314 -2.424 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.889 0.608 -3.416 1.00 0.00 C ATOM 0 H ILE A 58 -2.159 -0.295 -1.798 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.627 2.034 -0.282 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.528 1.637 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.810 1.341 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.253 -0.017 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.182 3.408 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.387 3.982 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.079 3.583 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.704 -0.081 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.217 0.152 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.297 1.531 -3.827 1.00 0.00 H new ATOM 836 N GLU A 59 -3.306 3.790 -0.924 1.00 0.00 N ATOM 837 CA GLU A 59 -4.401 4.732 -1.125 1.00 0.00 C ATOM 838 C GLU A 59 -3.929 5.958 -1.899 1.00 0.00 C ATOM 839 O GLU A 59 -3.132 6.751 -1.398 1.00 0.00 O ATOM 840 CB GLU A 59 -4.989 5.157 0.221 1.00 0.00 C ATOM 841 CG GLU A 59 -6.157 6.123 0.098 1.00 0.00 C ATOM 842 CD GLU A 59 -5.794 7.534 0.518 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.929 7.686 1.407 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.374 8.488 -0.042 1.00 0.00 O ATOM 0 H GLU A 59 -2.575 4.123 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.174 4.233 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.318 4.269 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.206 5.622 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.507 6.134 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.984 5.767 0.712 1.00 0.00 H new ATOM 851 N LEU A 60 -4.424 6.106 -3.123 1.00 0.00 N ATOM 852 CA LEU A 60 -4.052 7.236 -3.966 1.00 0.00 C ATOM 853 C LEU A 60 -4.695 8.526 -3.465 1.00 0.00 C ATOM 854 O LEU A 60 -5.460 8.516 -2.501 1.00 0.00 O ATOM 855 CB LEU A 60 -4.468 6.977 -5.416 1.00 0.00 C ATOM 856 CG LEU A 60 -3.751 5.810 -6.096 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.412 5.479 -7.425 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.278 6.135 -6.297 1.00 0.00 C ATOM 0 H LEU A 60 -5.084 5.458 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.969 7.349 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.541 6.789 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.289 7.882 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.825 4.936 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.888 4.646 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.453 5.204 -7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.369 6.350 -8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.783 5.294 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.183 7.022 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.811 6.322 -5.330 1.00 0.00 H new ATOM 870 N ASP A 61 -4.380 9.634 -4.128 1.00 0.00 N ATOM 871 CA ASP A 61 -4.927 10.932 -3.750 1.00 0.00 C ATOM 872 C ASP A 61 -6.086 11.319 -4.664 1.00 0.00 C ATOM 873 O ASP A 61 -7.027 11.988 -4.238 1.00 0.00 O ATOM 874 CB ASP A 61 -3.834 12.004 -3.804 1.00 0.00 C ATOM 875 CG ASP A 61 -3.431 12.489 -2.425 1.00 0.00 C ATOM 876 OD1 ASP A 61 -4.334 12.794 -1.617 1.00 0.00 O ATOM 877 OD2 ASP A 61 -2.215 12.565 -2.154 1.00 0.00 O ATOM 0 H ASP A 61 -3.749 9.659 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.303 10.860 -2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.959 11.602 -4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.187 12.849 -4.395 1.00 0.00 H new ATOM 882 N GLN A 62 -6.009 10.894 -5.920 1.00 0.00 N ATOM 883 CA GLN A 62 -7.052 11.196 -6.895 1.00 0.00 C ATOM 884 C GLN A 62 -7.890 9.956 -7.195 1.00 0.00 C ATOM 885 O GLN A 62 -7.424 8.828 -7.032 1.00 0.00 O ATOM 886 CB GLN A 62 -6.434 11.735 -8.187 1.00 0.00 C ATOM 887 CG GLN A 62 -5.379 12.806 -7.958 1.00 0.00 C ATOM 888 CD GLN A 62 -5.974 14.197 -7.863 1.00 0.00 C ATOM 889 OE1 GLN A 62 -5.888 14.851 -6.823 1.00 0.00 O ATOM 890 NE2 GLN A 62 -6.582 14.656 -8.949 1.00 0.00 N ATOM 0 H GLN A 62 -5.236 10.339 -6.288 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.703 11.959 -6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.986 10.908 -8.738 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.225 12.145 -8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.834 12.584 -7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.656 12.779 -8.773 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.630 14.079 -9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.002 15.586 -8.944 1.00 0.00 H new ATOM 899 N PRO A 63 -9.144 10.148 -7.641 1.00 0.00 N ATOM 900 CA PRO A 63 -10.044 9.038 -7.965 1.00 0.00 C ATOM 901 C PRO A 63 -9.633 8.310 -9.240 1.00 0.00 C ATOM 902 O PRO A 63 -10.329 8.370 -10.255 1.00 0.00 O ATOM 903 CB PRO A 63 -11.399 9.724 -8.149 1.00 0.00 C ATOM 904 CG PRO A 63 -11.066 11.116 -8.561 1.00 0.00 C ATOM 905 CD PRO A 63 -9.778 11.461 -7.865 1.00 0.00 C ATOM 0 HA PRO A 63 -10.042 8.271 -7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.998 9.220 -8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.977 9.712 -7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.955 11.186 -9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.860 11.807 -8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.152 12.109 -8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.957 11.985 -6.926 1.00 0.00 H new ATOM 913 N THR A 64 -8.499 7.621 -9.182 1.00 0.00 N ATOM 914 CA THR A 64 -7.993 6.880 -10.331 1.00 0.00 C ATOM 915 C THR A 64 -7.497 5.500 -9.912 1.00 0.00 C ATOM 916 O THR A 64 -6.567 4.956 -10.509 1.00 0.00 O ATOM 917 CB THR A 64 -6.863 7.656 -11.010 1.00 0.00 C ATOM 918 OG1 THR A 64 -5.954 8.162 -10.048 1.00 0.00 O ATOM 919 CG2 THR A 64 -7.353 8.824 -11.838 1.00 0.00 C ATOM 0 H THR A 64 -7.912 7.560 -8.350 1.00 0.00 H new ATOM 0 HA THR A 64 -8.812 6.753 -11.039 1.00 0.00 H new ATOM 0 HB THR A 64 -6.378 6.940 -11.673 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.238 8.654 -10.502 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.501 9.331 -12.292 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.019 8.461 -12.621 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.893 9.522 -11.198 1.00 0.00 H new ATOM 927 N GLY A 65 -8.122 4.940 -8.882 1.00 0.00 N ATOM 928 CA GLY A 65 -7.730 3.629 -8.400 1.00 0.00 C ATOM 929 C GLY A 65 -8.536 2.512 -9.033 1.00 0.00 C ATOM 930 O GLY A 65 -8.823 2.546 -10.230 1.00 0.00 O ATOM 0 H GLY A 65 -8.893 5.371 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.672 3.471 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.852 3.592 -7.317 1.00 0.00 H new ATOM 934 N LYS A 66 -8.902 1.519 -8.230 1.00 0.00 N ATOM 935 CA LYS A 66 -9.681 0.386 -8.718 1.00 0.00 C ATOM 936 C LYS A 66 -10.907 0.151 -7.843 1.00 0.00 C ATOM 937 O LYS A 66 -12.012 -0.051 -8.346 1.00 0.00 O ATOM 938 CB LYS A 66 -8.816 -0.874 -8.755 1.00 0.00 C ATOM 939 CG LYS A 66 -8.049 -1.049 -10.056 1.00 0.00 C ATOM 940 CD LYS A 66 -6.733 -0.289 -10.034 1.00 0.00 C ATOM 941 CE LYS A 66 -6.466 0.402 -11.362 1.00 0.00 C ATOM 942 NZ LYS A 66 -5.010 0.604 -11.601 1.00 0.00 N ATOM 0 H LYS A 66 -8.672 1.475 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.019 0.617 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.108 -0.843 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.452 -1.745 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.856 -2.108 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.659 -0.699 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.753 0.452 -9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.918 -0.977 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.888 -0.193 -12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.974 1.366 -11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.877 1.250 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.572 1.014 -10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.563 -0.311 -11.814 1.00 0.00 H new ATOM 956 N HIS A 67 -10.705 0.177 -6.529 1.00 0.00 N ATOM 957 CA HIS A 67 -11.796 -0.033 -5.583 1.00 0.00 C ATOM 958 C HIS A 67 -11.860 1.102 -4.567 1.00 0.00 C ATOM 959 O HIS A 67 -10.956 1.934 -4.492 1.00 0.00 O ATOM 960 CB HIS A 67 -11.621 -1.370 -4.861 1.00 0.00 C ATOM 961 CG HIS A 67 -10.247 -1.574 -4.303 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.944 -1.495 -2.962 1.00 0.00 N ATOM 963 CD2 HIS A 67 -9.080 -1.861 -4.934 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.632 -1.730 -2.823 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.062 -1.959 -3.990 1.00 0.00 N ATOM 0 H HIS A 67 -9.797 0.341 -6.095 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.732 -0.049 -6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.347 -1.433 -4.050 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.847 -2.180 -5.554 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.960 -1.992 -5.999 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.109 -1.732 -1.878 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.078 -2.165 -4.165 1.00 0.00 H new ATOM 973 N ASP A 68 -12.935 1.130 -3.786 1.00 0.00 N ATOM 974 CA ASP A 68 -13.117 2.163 -2.773 1.00 0.00 C ATOM 975 C ASP A 68 -12.706 1.654 -1.396 1.00 0.00 C ATOM 976 O ASP A 68 -13.323 1.995 -0.387 1.00 0.00 O ATOM 977 CB ASP A 68 -14.575 2.628 -2.743 1.00 0.00 C ATOM 978 CG ASP A 68 -15.538 1.489 -2.469 1.00 0.00 C ATOM 979 OD1 ASP A 68 -15.639 0.579 -3.316 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.192 1.509 -1.404 1.00 0.00 O ATOM 0 H ASP A 68 -13.693 0.449 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.479 3.007 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.694 3.394 -1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.826 3.091 -3.697 1.00 0.00 H new ATOM 985 N GLY A 69 -11.658 0.836 -1.361 1.00 0.00 N ATOM 986 CA GLY A 69 -11.182 0.294 -0.103 1.00 0.00 C ATOM 987 C GLY A 69 -11.536 -1.170 0.069 1.00 0.00 C ATOM 988 O GLY A 69 -10.674 -1.991 0.385 1.00 0.00 O ATOM 0 H GLY A 69 -11.131 0.539 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.100 0.412 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.609 0.867 0.720 1.00 0.00 H new ATOM 992 N SER A 70 -12.806 -1.499 -0.140 1.00 0.00 N ATOM 993 CA SER A 70 -13.272 -2.874 -0.005 1.00 0.00 C ATOM 994 C SER A 70 -13.234 -3.594 -1.349 1.00 0.00 C ATOM 995 O SER A 70 -13.359 -2.970 -2.403 1.00 0.00 O ATOM 996 CB SER A 70 -14.693 -2.901 0.561 1.00 0.00 C ATOM 997 OG SER A 70 -15.593 -2.214 -0.289 1.00 0.00 O ATOM 0 H SER A 70 -13.531 -0.832 -0.404 1.00 0.00 H new ATOM 0 HA SER A 70 -12.605 -3.392 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.020 -3.934 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.702 -2.445 1.551 1.00 0.00 H new ATOM 0 HG SER A 70 -16.494 -2.247 0.094 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.062 -4.912 -1.305 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.008 -5.715 -2.520 1.00 0.00 C ATOM 1005 C VAL A 71 -13.725 -7.047 -2.329 1.00 0.00 C ATOM 1006 O VAL A 71 -13.259 -7.916 -1.592 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.554 -5.988 -2.951 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.515 -6.635 -4.326 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.743 -4.700 -2.936 1.00 0.00 C ATOM 0 H VAL A 71 -12.958 -5.445 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.509 -5.141 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.107 -6.681 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.480 -6.820 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.058 -7.580 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.980 -5.970 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.719 -4.911 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.188 -3.982 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.741 -4.283 -1.929 1.00 0.00 H new ATOM 1019 N PHE A 72 -14.864 -7.201 -2.998 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.648 -8.428 -2.902 1.00 0.00 C ATOM 1021 C PHE A 72 -16.087 -8.682 -1.464 1.00 0.00 C ATOM 1022 O PHE A 72 -16.231 -9.829 -1.043 1.00 0.00 O ATOM 1023 CB PHE A 72 -14.836 -9.617 -3.418 1.00 0.00 C ATOM 1024 CG PHE A 72 -14.457 -9.504 -4.866 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -15.429 -9.532 -5.854 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -13.130 -9.369 -5.241 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -15.084 -9.428 -7.188 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -12.779 -9.265 -6.573 1.00 0.00 C ATOM 1029 CZ PHE A 72 -13.757 -9.294 -7.548 1.00 0.00 C ATOM 0 H PHE A 72 -15.264 -6.492 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.539 -8.310 -3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -13.930 -9.714 -2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.413 -10.530 -3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.468 -9.636 -5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.361 -9.345 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.851 -9.451 -7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.741 -9.161 -6.852 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.485 -9.212 -8.590 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.298 -7.605 -0.716 1.00 0.00 N ATOM 1040 CA GLY A 73 -16.719 -7.733 0.667 1.00 0.00 C ATOM 1041 C GLY A 73 -15.548 -7.875 1.619 1.00 0.00 C ATOM 1042 O GLY A 73 -15.672 -8.486 2.680 1.00 0.00 O ATOM 0 H GLY A 73 -16.185 -6.645 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.307 -6.859 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.371 -8.601 0.766 1.00 0.00 H new ATOM 1046 N VAL A 74 -14.407 -7.308 1.239 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.208 -7.374 2.066 1.00 0.00 C ATOM 1048 C VAL A 74 -12.614 -5.986 2.283 1.00 0.00 C ATOM 1049 O VAL A 74 -11.985 -5.421 1.389 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.139 -8.283 1.434 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -10.983 -8.502 2.399 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -12.748 -9.612 1.013 1.00 0.00 C ATOM 0 H VAL A 74 -14.288 -6.798 0.364 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.509 -7.793 3.026 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.750 -7.788 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.238 -9.147 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.529 -7.543 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.353 -8.973 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.977 -10.241 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.166 -10.113 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.538 -9.435 0.283 1.00 0.00 H new ATOM 1062 N ARG A 75 -12.818 -5.441 3.478 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.304 -4.118 3.813 1.00 0.00 C ATOM 1064 C ARG A 75 -10.852 -4.200 4.274 1.00 0.00 C ATOM 1065 O ARG A 75 -10.494 -5.055 5.084 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.161 -3.476 4.906 1.00 0.00 C ATOM 1067 CG ARG A 75 -12.834 -2.013 5.152 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.392 -1.534 6.482 1.00 0.00 C ATOM 1069 NE ARG A 75 -13.872 -0.156 6.410 1.00 0.00 N ATOM 1070 CZ ARG A 75 -14.089 0.611 7.476 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -13.870 0.139 8.697 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -14.527 1.853 7.322 1.00 0.00 N ATOM 0 H ARG A 75 -13.336 -5.895 4.230 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.349 -3.501 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.212 -3.564 4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.027 -4.031 5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.753 -1.873 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.244 -1.407 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.209 -2.187 6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.620 -1.609 7.247 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.051 0.242 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.534 -0.816 8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.038 0.731 9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.698 2.221 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.693 2.440 8.139 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.019 -3.304 3.752 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.606 -3.273 4.109 1.00 0.00 C ATOM 1088 C TYR A 76 -8.242 -1.949 4.774 1.00 0.00 C ATOM 1089 O TYR A 76 -7.494 -1.918 5.751 1.00 0.00 O ATOM 1090 CB TYR A 76 -7.740 -3.489 2.868 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.059 -4.764 2.119 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.122 -4.819 1.226 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.299 -5.912 2.307 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.418 -5.982 0.540 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -7.588 -7.079 1.625 1.00 0.00 C ATOM 1096 CZ TYR A 76 -8.648 -7.109 0.743 1.00 0.00 C ATOM 1097 OH TYR A 76 -8.939 -8.268 0.062 1.00 0.00 O ATOM 0 H TYR A 76 -10.299 -2.590 3.080 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.418 -4.079 4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.867 -2.641 2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.692 -3.505 3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.727 -3.939 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.469 -5.892 2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.247 -6.008 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.987 -7.963 1.782 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.614 -8.196 -0.860 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.776 -0.857 4.236 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.508 0.471 4.777 1.00 0.00 C ATOM 1109 C PHE A 77 -9.590 1.459 4.353 1.00 0.00 C ATOM 1110 O PHE A 77 -10.349 1.200 3.419 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.136 0.967 4.314 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.923 0.844 2.832 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.603 -0.378 2.264 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.042 1.952 2.009 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.406 -0.494 0.901 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.846 1.842 0.645 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.528 0.619 0.091 1.00 0.00 C ATOM 0 H PHE A 77 -9.396 -0.865 3.426 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.512 0.401 5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.019 2.011 4.604 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.361 0.403 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.506 -1.250 2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.290 2.912 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.157 -1.452 0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.942 2.713 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.375 0.532 -0.974 1.00 0.00 H new ATOM 1127 N THR A 78 -9.653 2.592 5.045 1.00 0.00 N ATOM 1128 CA THR A 78 -10.641 3.619 4.740 1.00 0.00 C ATOM 1129 C THR A 78 -10.102 4.604 3.708 1.00 0.00 C ATOM 1130 O THR A 78 -9.215 5.406 4.004 1.00 0.00 O ATOM 1131 CB THR A 78 -11.041 4.366 6.014 1.00 0.00 C ATOM 1132 OG1 THR A 78 -9.937 4.488 6.891 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.161 3.691 6.776 1.00 0.00 C ATOM 0 H THR A 78 -9.031 2.822 5.820 1.00 0.00 H new ATOM 0 HA THR A 78 -11.520 3.129 4.323 1.00 0.00 H new ATOM 0 HB THR A 78 -11.389 5.343 5.679 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.213 4.970 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.396 4.272 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.045 3.626 6.142 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.850 2.688 7.068 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.642 4.539 2.496 1.00 0.00 N ATOM 1142 CA CYS A 79 -10.215 5.425 1.420 1.00 0.00 C ATOM 1143 C CYS A 79 -11.413 5.926 0.619 1.00 0.00 C ATOM 1144 O CYS A 79 -12.518 5.396 0.738 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.235 4.703 0.495 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.928 3.247 -0.324 1.00 0.00 S ATOM 0 H CYS A 79 -11.377 3.882 2.234 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.715 6.284 1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.887 5.403 -0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.362 4.400 1.073 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.060 2.279 -0.296 1.00 0.00 H new ATOM 1152 N ALA A 80 -11.187 6.950 -0.197 1.00 0.00 N ATOM 1153 CA ALA A 80 -12.247 7.523 -1.017 1.00 0.00 C ATOM 1154 C ALA A 80 -12.532 6.648 -2.236 1.00 0.00 C ATOM 1155 O ALA A 80 -11.777 5.724 -2.537 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.875 8.932 -1.452 1.00 0.00 C ATOM 0 H ALA A 80 -10.278 7.400 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.154 7.569 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.676 9.347 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.729 9.558 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.953 8.902 -2.033 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.632 6.929 -2.955 1.00 0.00 N ATOM 1163 CA PRO A 81 -14.015 6.162 -4.145 1.00 0.00 C ATOM 1164 C PRO A 81 -12.926 6.171 -5.215 1.00 0.00 C ATOM 1165 O PRO A 81 -12.504 7.232 -5.675 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.268 6.882 -4.656 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.792 7.627 -3.476 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.588 8.011 -2.665 1.00 0.00 C ATOM 0 HA PRO A 81 -14.180 5.110 -3.910 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.028 7.559 -5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.004 6.173 -5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.351 8.509 -3.788 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.474 7.007 -2.894 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.197 8.985 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.820 8.070 -1.602 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.479 4.982 -5.606 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.441 4.850 -6.623 1.00 0.00 C ATOM 1178 C ARG A 82 -10.123 5.456 -6.146 1.00 0.00 C ATOM 1179 O ARG A 82 -9.470 6.200 -6.877 1.00 0.00 O ATOM 1180 CB ARG A 82 -11.884 5.521 -7.925 1.00 0.00 C ATOM 1181 CG ARG A 82 -13.290 5.139 -8.360 1.00 0.00 C ATOM 1182 CD ARG A 82 -13.521 5.449 -9.830 1.00 0.00 C ATOM 1183 NE ARG A 82 -14.852 6.006 -10.069 1.00 0.00 N ATOM 1184 CZ ARG A 82 -15.961 5.274 -10.136 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -15.906 3.957 -9.984 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -17.129 5.862 -10.358 1.00 0.00 N ATOM 0 H ARG A 82 -12.819 4.095 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.283 3.787 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -11.832 6.603 -7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.183 5.256 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.451 4.076 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.019 5.678 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -12.765 6.155 -10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.398 4.538 -10.416 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.935 7.015 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.010 3.500 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.760 3.401 -10.036 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.176 6.874 -10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.980 5.302 -10.410 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.738 5.130 -4.917 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.496 5.642 -4.346 1.00 0.00 C ATOM 1202 C HIS A 83 -7.548 4.498 -3.997 1.00 0.00 C ATOM 1203 O HIS A 83 -6.354 4.556 -4.294 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.787 6.477 -3.098 1.00 0.00 C ATOM 1205 CG HIS A 83 -9.223 7.876 -3.403 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.915 8.965 -2.617 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.959 8.356 -4.437 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -9.462 10.049 -3.185 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -10.106 9.733 -4.292 1.00 0.00 N ATOM 0 H HIS A 83 -10.266 4.515 -4.298 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.016 6.275 -5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.562 5.983 -2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.892 6.511 -2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.366 7.764 -5.244 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -9.385 11.050 -2.788 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.608 10.367 -4.914 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.088 3.461 -3.368 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.277 2.318 -2.990 1.00 0.00 C ATOM 1219 C GLY A 84 -6.938 1.431 -4.173 1.00 0.00 C ATOM 1220 O GLY A 84 -7.785 1.183 -5.032 1.00 0.00 O ATOM 0 H GLY A 84 -9.073 3.391 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.355 2.668 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.808 1.731 -2.240 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.699 0.956 -4.218 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.252 0.094 -5.306 1.00 0.00 C ATOM 1226 C VAL A 85 -4.326 -1.004 -4.792 1.00 0.00 C ATOM 1227 O VAL A 85 -3.267 -0.724 -4.229 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.520 0.898 -6.396 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.489 1.815 -7.125 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.373 1.695 -5.792 1.00 0.00 C ATOM 0 H VAL A 85 -4.987 1.153 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.145 -0.359 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.104 0.198 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.953 2.375 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.273 1.219 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.937 2.510 -6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.867 2.257 -6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.764 2.386 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.665 1.013 -5.320 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.732 -2.253 -4.991 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.938 -3.394 -4.549 1.00 0.00 C ATOM 1242 C PHE A 86 -3.108 -3.956 -5.698 1.00 0.00 C ATOM 1243 O PHE A 86 -3.646 -4.541 -6.638 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.848 -4.485 -3.980 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.082 -4.361 -2.501 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.066 -4.635 -1.600 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.318 -3.970 -2.013 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.278 -4.522 -0.240 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.537 -3.853 -0.653 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.515 -4.130 0.234 1.00 0.00 C ATOM 0 H PHE A 86 -5.606 -2.501 -5.455 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.259 -3.052 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.808 -4.451 -4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.408 -5.460 -4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.097 -4.941 -1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.120 -3.754 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.478 -4.740 0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.505 -3.546 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.683 -4.040 1.297 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.793 -3.777 -5.615 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.888 -4.266 -6.648 1.00 0.00 C ATOM 1262 C ALA A 87 0.245 -5.089 -6.043 1.00 0.00 C ATOM 1263 O ALA A 87 0.642 -4.866 -4.899 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.327 -3.102 -7.452 1.00 0.00 C ATOM 0 H ALA A 87 -1.331 -3.297 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.455 -4.915 -7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.347 -3.482 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.145 -2.558 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.219 -2.431 -6.789 1.00 0.00 H new ATOM 1270 N PRO A 88 0.784 -6.058 -6.804 1.00 0.00 N ATOM 1271 CA PRO A 88 1.877 -6.917 -6.334 1.00 0.00 C ATOM 1272 C PRO A 88 3.113 -6.115 -5.939 1.00 0.00 C ATOM 1273 O PRO A 88 3.514 -5.188 -6.641 1.00 0.00 O ATOM 1274 CB PRO A 88 2.187 -7.808 -7.542 1.00 0.00 C ATOM 1275 CG PRO A 88 0.958 -7.760 -8.384 1.00 0.00 C ATOM 1276 CD PRO A 88 0.370 -6.395 -8.176 1.00 0.00 C ATOM 0 HA PRO A 88 1.595 -7.474 -5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.055 -7.442 -8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.413 -8.828 -7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.197 -7.926 -9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.253 -8.538 -8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.753 -5.676 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.715 -6.404 -8.279 1.00 0.00 H new ATOM 1284 N ALA A 89 3.712 -6.479 -4.805 1.00 0.00 N ATOM 1285 CA ALA A 89 4.905 -5.794 -4.316 1.00 0.00 C ATOM 1286 C ALA A 89 5.924 -5.644 -5.437 1.00 0.00 C ATOM 1287 O ALA A 89 6.413 -4.548 -5.708 1.00 0.00 O ATOM 1288 CB ALA A 89 5.509 -6.553 -3.143 1.00 0.00 C ATOM 0 H ALA A 89 3.390 -7.243 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 89 4.620 -4.800 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.398 -6.030 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.780 -6.615 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.783 -7.558 -3.463 1.00 0.00 H new ATOM 1294 N SER A 90 6.220 -6.759 -6.102 1.00 0.00 N ATOM 1295 CA SER A 90 7.158 -6.755 -7.213 1.00 0.00 C ATOM 1296 C SER A 90 6.705 -5.751 -8.266 1.00 0.00 C ATOM 1297 O SER A 90 7.513 -5.235 -9.038 1.00 0.00 O ATOM 1298 CB SER A 90 7.266 -8.151 -7.829 1.00 0.00 C ATOM 1299 OG SER A 90 7.400 -9.143 -6.825 1.00 0.00 O ATOM 0 H SER A 90 5.822 -7.674 -5.888 1.00 0.00 H new ATOM 0 HA SER A 90 8.141 -6.466 -6.841 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.381 -8.356 -8.431 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.124 -8.190 -8.500 1.00 0.00 H new ATOM 0 HG SER A 90 7.465 -10.026 -7.244 1.00 0.00 H new ATOM 1305 N ARG A 91 5.403 -5.467 -8.275 1.00 0.00 N ATOM 1306 CA ARG A 91 4.840 -4.510 -9.215 1.00 0.00 C ATOM 1307 C ARG A 91 4.877 -3.100 -8.629 1.00 0.00 C ATOM 1308 O ARG A 91 4.697 -2.116 -9.347 1.00 0.00 O ATOM 1309 CB ARG A 91 3.401 -4.894 -9.570 1.00 0.00 C ATOM 1310 CG ARG A 91 3.278 -5.627 -10.897 1.00 0.00 C ATOM 1311 CD ARG A 91 2.122 -5.092 -11.727 1.00 0.00 C ATOM 1312 NE ARG A 91 0.900 -5.869 -11.530 1.00 0.00 N ATOM 1313 CZ ARG A 91 -0.142 -5.835 -12.358 1.00 0.00 C ATOM 1314 NH1 ARG A 91 -0.113 -5.067 -13.440 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -1.214 -6.572 -12.104 1.00 0.00 N ATOM 0 H ARG A 91 4.723 -5.887 -7.642 1.00 0.00 H new ATOM 0 HA ARG A 91 5.442 -4.527 -10.124 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.995 -5.523 -8.778 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.791 -3.992 -9.605 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.207 -5.524 -11.457 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.133 -6.692 -10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.936 -4.051 -11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.395 -5.108 -12.782 1.00 0.00 H new ATOM 0 HE ARG A 91 0.842 -6.473 -10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.710 -4.499 -13.640 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.914 -5.045 -14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.240 -7.165 -11.274 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.013 -6.546 -12.738 1.00 0.00 H new ATOM 1329 N ILE A 92 5.117 -3.008 -7.320 1.00 0.00 N ATOM 1330 CA ILE A 92 5.180 -1.716 -6.647 1.00 0.00 C ATOM 1331 C ILE A 92 6.614 -1.372 -6.255 1.00 0.00 C ATOM 1332 O ILE A 92 7.404 -2.255 -5.922 1.00 0.00 O ATOM 1333 CB ILE A 92 4.295 -1.692 -5.385 1.00 0.00 C ATOM 1334 CG1 ILE A 92 2.883 -2.179 -5.715 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.251 -0.290 -4.793 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.081 -2.574 -4.494 1.00 0.00 C ATOM 0 H ILE A 92 5.270 -3.811 -6.710 1.00 0.00 H new ATOM 0 HA ILE A 92 4.809 -0.974 -7.354 1.00 0.00 H new ATOM 0 HB ILE A 92 4.728 -2.365 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.352 -1.392 -6.250 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.950 -3.034 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.622 -0.291 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.260 0.023 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.840 0.402 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.091 -2.909 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.591 -3.382 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.983 -1.715 -3.830 1.00 0.00 H new ATOM 1348 N GLN A 93 6.941 -0.085 -6.296 1.00 0.00 N ATOM 1349 CA GLN A 93 8.280 0.374 -5.945 1.00 0.00 C ATOM 1350 C GLN A 93 8.278 1.061 -4.582 1.00 0.00 C ATOM 1351 O GLN A 93 7.225 1.425 -4.060 1.00 0.00 O ATOM 1352 CB GLN A 93 8.810 1.332 -7.014 1.00 0.00 C ATOM 1353 CG GLN A 93 9.678 0.653 -8.061 1.00 0.00 C ATOM 1354 CD GLN A 93 9.247 0.977 -9.478 1.00 0.00 C ATOM 1355 OE1 GLN A 93 10.058 1.389 -10.307 1.00 0.00 O ATOM 1356 NE2 GLN A 93 7.963 0.793 -9.763 1.00 0.00 N ATOM 0 H GLN A 93 6.298 0.658 -6.569 1.00 0.00 H new ATOM 0 HA GLN A 93 8.935 -0.496 -5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.967 1.813 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.387 2.120 -6.530 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.715 0.960 -7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.642 -0.426 -7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.325 0.450 -9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.615 0.995 -10.700 1.00 0.00 H new ATOM 1365 N ARG A 94 9.467 1.235 -4.012 1.00 0.00 N ATOM 1366 CA ARG A 94 9.603 1.878 -2.710 1.00 0.00 C ATOM 1367 C ARG A 94 10.390 3.181 -2.826 1.00 0.00 C ATOM 1368 O ARG A 94 11.550 3.182 -3.237 1.00 0.00 O ATOM 1369 CB ARG A 94 10.297 0.937 -1.724 1.00 0.00 C ATOM 1370 CG ARG A 94 9.794 1.075 -0.296 1.00 0.00 C ATOM 1371 CD ARG A 94 10.822 1.751 0.597 1.00 0.00 C ATOM 1372 NE ARG A 94 10.776 1.244 1.967 1.00 0.00 N ATOM 1373 CZ ARG A 94 11.322 1.868 3.007 1.00 0.00 C ATOM 1374 NH1 ARG A 94 11.957 3.022 2.839 1.00 0.00 N ATOM 1375 NH2 ARG A 94 11.234 1.338 4.219 1.00 0.00 N ATOM 0 H ARG A 94 10.349 0.940 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 94 8.604 2.109 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.153 -0.092 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.370 1.131 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.870 1.653 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.556 0.089 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.819 1.593 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.646 2.827 0.603 1.00 0.00 H new ATOM 0 HE ARG A 94 10.297 0.359 2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.028 3.434 1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.374 3.496 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.748 0.452 4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.653 1.817 5.017 1.00 0.00 H new ATOM 1389 N ILE A 95 9.750 4.287 -2.461 1.00 0.00 N ATOM 1390 CA ILE A 95 10.389 5.595 -2.523 1.00 0.00 C ATOM 1391 C ILE A 95 11.062 5.943 -1.200 1.00 0.00 C ATOM 1392 O ILE A 95 12.278 6.122 -1.139 1.00 0.00 O ATOM 1393 CB ILE A 95 9.376 6.700 -2.877 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.544 6.291 -4.094 1.00 0.00 C ATOM 1395 CG2 ILE A 95 10.094 8.015 -3.138 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.282 7.108 -4.265 1.00 0.00 C ATOM 0 H ILE A 95 8.789 4.303 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 95 11.144 5.540 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 95 8.703 6.838 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.155 6.389 -4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.276 5.238 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.364 8.785 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.645 8.312 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.789 7.892 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.742 6.763 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.651 6.991 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.543 8.159 -4.387 1.00 0.00 H new