USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 425 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 30 THR OG1 : rot 180:sc= 0.956 USER MOD Set 1.2: A 35 SER OG : rot 149:sc= 0.0729 USER MOD Single : A 25 THR OG1 : rot -137:sc= -5.25! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 31 SER OG : rot -141:sc= 0.0577 USER MOD Single : A 34 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.8!) USER MOD Single : A 64 SER OG : rot -7:sc= 0.751 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.171 K(o=-0.17,f=-2!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 87 ASN : amide:sc= -0.509 K(o=-0.51,f=-3.3) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -7.868 -1.418 1.760 1.00 0.00 N ATOM 352 CA GLY A 24 -7.831 -0.702 0.499 1.00 0.00 C ATOM 353 C GLY A 24 -6.457 -0.141 0.181 1.00 0.00 C ATOM 354 O GLY A 24 -6.325 0.738 -0.671 1.00 0.00 O ATOM 0 HA2 GLY A 24 -8.139 -1.372 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.554 0.114 0.528 1.00 0.00 H new ATOM 358 N THR A 25 -5.428 -0.684 0.825 1.00 0.00 N ATOM 359 CA THR A 25 -4.065 -0.212 0.611 1.00 0.00 C ATOM 360 C THR A 25 -3.360 -1.005 -0.476 1.00 0.00 C ATOM 361 O THR A 25 -3.315 -2.236 -0.441 1.00 0.00 O ATOM 362 CB THR A 25 -3.260 -0.316 1.898 1.00 0.00 C ATOM 363 OG1 THR A 25 -1.872 -0.228 1.628 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.503 -1.612 2.648 1.00 0.00 C ATOM 0 H THR A 25 -5.512 -1.448 1.496 1.00 0.00 H new ATOM 0 HA THR A 25 -4.132 0.829 0.295 1.00 0.00 H new ATOM 0 HB THR A 25 -3.593 0.515 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.392 -0.895 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.900 -1.625 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.558 -1.688 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.226 -2.456 2.016 1.00 0.00 H new ATOM 372 N SER A 26 -2.768 -0.279 -1.412 1.00 0.00 N ATOM 373 CA SER A 26 -2.034 -0.886 -2.508 1.00 0.00 C ATOM 374 C SER A 26 -0.563 -0.534 -2.425 1.00 0.00 C ATOM 375 O SER A 26 -0.211 0.632 -2.546 1.00 0.00 O ATOM 376 CB SER A 26 -2.575 -0.366 -3.833 1.00 0.00 C ATOM 377 OG SER A 26 -3.924 -0.752 -4.029 1.00 0.00 O ATOM 0 H SER A 26 -2.783 0.741 -1.432 1.00 0.00 H new ATOM 0 HA SER A 26 -2.154 -1.967 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.499 0.721 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.964 -0.746 -4.651 1.00 0.00 H new ATOM 0 HG SER A 26 -4.243 -0.402 -4.887 1.00 0.00 H new ATOM 383 N ALA A 27 0.296 -1.543 -2.375 1.00 0.00 N ATOM 384 CA ALA A 27 1.735 -1.307 -2.334 1.00 0.00 C ATOM 385 C ALA A 27 2.419 -2.031 -3.473 1.00 0.00 C ATOM 386 O ALA A 27 1.971 -3.085 -3.916 1.00 0.00 O ATOM 387 CB ALA A 27 2.336 -1.729 -0.997 1.00 0.00 C ATOM 0 H ALA A 27 0.026 -2.526 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 27 1.899 -0.235 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.409 -1.538 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.871 -1.158 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.158 -2.792 -0.837 1.00 0.00 H new ATOM 393 N THR A 28 3.470 -1.420 -3.982 1.00 0.00 N ATOM 394 CA THR A 28 4.200 -1.959 -5.108 1.00 0.00 C ATOM 395 C THR A 28 5.654 -2.193 -4.728 1.00 0.00 C ATOM 396 O THR A 28 6.278 -1.354 -4.085 1.00 0.00 O ATOM 397 CB THR A 28 4.086 -0.995 -6.290 1.00 0.00 C ATOM 398 OG1 THR A 28 2.790 -1.059 -6.859 1.00 0.00 O ATOM 399 CG2 THR A 28 5.083 -1.260 -7.396 1.00 0.00 C ATOM 0 H THR A 28 3.840 -0.538 -3.627 1.00 0.00 H new ATOM 0 HA THR A 28 3.774 -2.920 -5.397 1.00 0.00 H new ATOM 0 HB THR A 28 4.296 -0.010 -5.873 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.733 -0.435 -7.613 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.939 -0.535 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.095 -1.169 -7.003 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.935 -2.267 -7.786 1.00 0.00 H new ATOM 407 N ILE A 29 6.171 -3.355 -5.097 1.00 0.00 N ATOM 408 CA ILE A 29 7.535 -3.723 -4.771 1.00 0.00 C ATOM 409 C ILE A 29 8.455 -3.563 -5.969 1.00 0.00 C ATOM 410 O ILE A 29 8.216 -4.134 -7.033 1.00 0.00 O ATOM 411 CB ILE A 29 7.603 -5.179 -4.292 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.461 -5.478 -3.315 1.00 0.00 C ATOM 413 CG2 ILE A 29 8.944 -5.478 -3.650 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.310 -4.440 -2.226 1.00 0.00 C ATOM 0 H ILE A 29 5.660 -4.062 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 29 7.865 -3.054 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 29 7.493 -5.826 -5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.526 -5.547 -3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.632 -6.452 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.966 -6.516 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.740 -5.312 -4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.092 -4.821 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.483 -4.716 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.230 -4.386 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.108 -3.468 -2.676 1.00 0.00 H new ATOM 426 N THR A 30 9.520 -2.802 -5.779 1.00 0.00 N ATOM 427 CA THR A 30 10.497 -2.581 -6.833 1.00 0.00 C ATOM 428 C THR A 30 11.914 -2.770 -6.306 1.00 0.00 C ATOM 429 O THR A 30 12.485 -1.871 -5.688 1.00 0.00 O ATOM 430 CB THR A 30 10.334 -1.178 -7.417 1.00 0.00 C ATOM 431 OG1 THR A 30 11.518 -0.768 -8.077 1.00 0.00 O ATOM 432 CG2 THR A 30 9.996 -0.131 -6.378 1.00 0.00 C ATOM 0 H THR A 30 9.731 -2.325 -4.902 1.00 0.00 H new ATOM 0 HA THR A 30 10.324 -3.315 -7.620 1.00 0.00 H new ATOM 0 HB THR A 30 9.500 -1.252 -8.115 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.393 0.132 -8.445 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.895 0.841 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.058 -0.393 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.792 -0.086 -5.635 1.00 0.00 H new ATOM 440 N SER A 31 12.479 -3.945 -6.561 1.00 0.00 N ATOM 441 CA SER A 31 13.825 -4.260 -6.118 1.00 0.00 C ATOM 442 C SER A 31 14.830 -4.048 -7.244 1.00 0.00 C ATOM 443 O SER A 31 14.470 -4.062 -8.421 1.00 0.00 O ATOM 444 CB SER A 31 13.896 -5.705 -5.620 1.00 0.00 C ATOM 445 OG SER A 31 12.920 -5.948 -4.621 1.00 0.00 O ATOM 0 H SER A 31 12.020 -4.696 -7.075 1.00 0.00 H new ATOM 0 HA SER A 31 14.078 -3.588 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.744 -6.389 -6.455 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.889 -5.907 -5.219 1.00 0.00 H new ATOM 0 HG SER A 31 13.301 -6.522 -3.924 1.00 0.00 H new ATOM 451 N GLY A 32 16.090 -3.854 -6.877 1.00 0.00 N ATOM 452 CA GLY A 32 17.125 -3.638 -7.869 1.00 0.00 C ATOM 453 C GLY A 32 17.208 -4.764 -8.882 1.00 0.00 C ATOM 454 O GLY A 32 17.774 -4.592 -9.963 1.00 0.00 O ATOM 0 H GLY A 32 16.414 -3.842 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.934 -2.700 -8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.087 -3.534 -7.368 1.00 0.00 H new ATOM 458 N GLU A 33 16.645 -5.919 -8.537 1.00 0.00 N ATOM 459 CA GLU A 33 16.677 -7.076 -9.425 1.00 0.00 C ATOM 460 C GLU A 33 15.276 -7.624 -9.675 1.00 0.00 C ATOM 461 O GLU A 33 14.946 -8.014 -10.795 1.00 0.00 O ATOM 462 CB GLU A 33 17.562 -8.171 -8.828 1.00 0.00 C ATOM 463 CG GLU A 33 18.970 -7.702 -8.495 1.00 0.00 C ATOM 464 CD GLU A 33 19.495 -8.307 -7.208 1.00 0.00 C ATOM 465 OE1 GLU A 33 18.932 -9.328 -6.757 1.00 0.00 O ATOM 466 OE2 GLU A 33 20.470 -7.762 -6.650 1.00 0.00 O ATOM 0 H GLU A 33 16.163 -6.078 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 33 17.091 -6.753 -10.380 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.092 -8.553 -7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.622 -9.002 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.640 -7.963 -9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.977 -6.615 -8.411 1.00 0.00 H new ATOM 473 N GLN A 34 14.459 -7.665 -8.627 1.00 0.00 N ATOM 474 CA GLN A 34 13.102 -8.190 -8.740 1.00 0.00 C ATOM 475 C GLN A 34 12.061 -7.091 -8.559 1.00 0.00 C ATOM 476 O GLN A 34 11.264 -7.126 -7.621 1.00 0.00 O ATOM 477 CB GLN A 34 12.874 -9.295 -7.706 1.00 0.00 C ATOM 478 CG GLN A 34 11.535 -9.998 -7.859 1.00 0.00 C ATOM 479 CD GLN A 34 11.618 -11.483 -7.565 1.00 0.00 C ATOM 480 OE1 GLN A 34 12.707 -12.049 -7.468 1.00 0.00 O ATOM 481 NE2 GLN A 34 10.463 -12.122 -7.418 1.00 0.00 N ATOM 0 H GLN A 34 14.711 -7.342 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 34 12.989 -8.602 -9.743 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.674 -10.031 -7.789 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.938 -8.866 -6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.809 -9.539 -7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.167 -9.853 -8.875 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.584 -11.613 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.455 -13.122 -7.216 1.00 0.00 H new ATOM 490 N SER A 35 12.059 -6.128 -9.473 1.00 0.00 N ATOM 491 CA SER A 35 11.096 -5.032 -9.425 1.00 0.00 C ATOM 492 C SER A 35 10.014 -5.221 -10.480 1.00 0.00 C ATOM 493 O SER A 35 10.302 -5.283 -11.675 1.00 0.00 O ATOM 494 CB SER A 35 11.802 -3.692 -9.645 1.00 0.00 C ATOM 495 OG SER A 35 10.865 -2.649 -9.845 1.00 0.00 O ATOM 0 H SER A 35 12.712 -6.083 -10.255 1.00 0.00 H new ATOM 0 HA SER A 35 10.631 -5.033 -8.439 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.429 -3.462 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.462 -3.763 -10.509 1.00 0.00 H new ATOM 0 HG SER A 35 11.232 -1.809 -9.499 1.00 0.00 H new ATOM 501 N GLY A 36 8.769 -5.311 -10.030 1.00 0.00 N ATOM 502 CA GLY A 36 7.661 -5.498 -10.946 1.00 0.00 C ATOM 503 C GLY A 36 6.558 -6.349 -10.350 1.00 0.00 C ATOM 504 O GLY A 36 6.005 -7.220 -11.020 1.00 0.00 O ATOM 0 H GLY A 36 8.507 -5.258 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.256 -4.526 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.024 -5.967 -11.861 1.00 0.00 H new ATOM 508 N ALA A 37 6.243 -6.100 -9.083 1.00 0.00 N ATOM 509 CA ALA A 37 5.206 -6.853 -8.394 1.00 0.00 C ATOM 510 C ALA A 37 4.435 -5.965 -7.424 1.00 0.00 C ATOM 511 O ALA A 37 5.023 -5.313 -6.561 1.00 0.00 O ATOM 512 CB ALA A 37 5.813 -8.038 -7.658 1.00 0.00 C ATOM 0 H ALA A 37 6.692 -5.382 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 37 4.505 -7.224 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.025 -8.592 -7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.312 -8.693 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.537 -7.680 -6.926 1.00 0.00 H new ATOM 518 N VAL A 38 3.114 -5.966 -7.555 1.00 0.00 N ATOM 519 CA VAL A 38 2.259 -5.167 -6.689 1.00 0.00 C ATOM 520 C VAL A 38 1.666 -6.023 -5.574 1.00 0.00 C ATOM 521 O VAL A 38 1.137 -7.107 -5.822 1.00 0.00 O ATOM 522 CB VAL A 38 1.118 -4.500 -7.482 1.00 0.00 C ATOM 523 CG1 VAL A 38 1.681 -3.662 -8.619 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.145 -5.543 -8.011 1.00 0.00 C ATOM 0 H VAL A 38 2.612 -6.513 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 38 2.883 -4.387 -6.253 1.00 0.00 H new ATOM 0 HB VAL A 38 0.571 -3.841 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.862 -3.198 -9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.331 -2.887 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.254 -4.300 -9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.651 -5.049 -8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.673 -6.233 -8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.285 -6.096 -7.176 1.00 0.00 H new ATOM 534 N ILE A 39 1.780 -5.537 -4.344 1.00 0.00 N ATOM 535 CA ILE A 39 1.279 -6.259 -3.184 1.00 0.00 C ATOM 536 C ILE A 39 0.327 -5.405 -2.359 1.00 0.00 C ATOM 537 O ILE A 39 0.394 -4.177 -2.384 1.00 0.00 O ATOM 538 CB ILE A 39 2.430 -6.720 -2.277 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.220 -5.520 -1.768 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.339 -7.688 -3.018 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.942 -5.208 -0.320 1.00 0.00 C ATOM 0 H ILE A 39 2.217 -4.642 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 39 0.743 -7.127 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 39 2.006 -7.241 -1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.285 -5.712 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.978 -4.648 -2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.148 -8.004 -2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.764 -8.560 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.757 -7.195 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.533 -4.345 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.882 -4.986 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.210 -6.067 0.295 1.00 0.00 H new ATOM 553 N ARG A 40 -0.544 -6.070 -1.609 1.00 0.00 N ATOM 554 CA ARG A 40 -1.487 -5.383 -0.740 1.00 0.00 C ATOM 555 C ARG A 40 -0.990 -5.415 0.700 1.00 0.00 C ATOM 556 O ARG A 40 -0.384 -6.395 1.135 1.00 0.00 O ATOM 557 CB ARG A 40 -2.874 -6.034 -0.844 1.00 0.00 C ATOM 558 CG ARG A 40 -3.831 -5.646 0.276 1.00 0.00 C ATOM 559 CD ARG A 40 -5.181 -5.207 -0.269 1.00 0.00 C ATOM 560 NE ARG A 40 -6.136 -6.311 -0.326 1.00 0.00 N ATOM 561 CZ ARG A 40 -7.358 -6.200 -0.837 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.771 -5.040 -1.329 1.00 0.00 N ATOM 563 NH2 ARG A 40 -8.170 -7.248 -0.854 1.00 0.00 N ATOM 0 H ARG A 40 -0.615 -7.087 -1.587 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.568 -4.343 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.321 -5.760 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.755 -7.118 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.967 -6.493 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.395 -4.838 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.584 -4.412 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.050 -4.790 -1.267 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.849 -7.216 0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.151 -4.231 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.709 -4.957 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.857 -8.142 -0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.107 -7.161 -1.247 1.00 0.00 H new ATOM 577 N GLY A 41 -1.245 -4.341 1.436 1.00 0.00 N ATOM 578 CA GLY A 41 -0.812 -4.282 2.817 1.00 0.00 C ATOM 579 C GLY A 41 -0.639 -2.865 3.313 1.00 0.00 C ATOM 580 O GLY A 41 -0.414 -1.952 2.522 1.00 0.00 O ATOM 0 H GLY A 41 -1.741 -3.514 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.540 -4.796 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.132 -4.817 2.921 1.00 0.00 H new ATOM 584 N VAL A 42 -0.757 -2.674 4.623 1.00 0.00 N ATOM 585 CA VAL A 42 -0.636 -1.342 5.198 1.00 0.00 C ATOM 586 C VAL A 42 0.372 -1.306 6.345 1.00 0.00 C ATOM 587 O VAL A 42 0.784 -2.332 6.875 1.00 0.00 O ATOM 588 CB VAL A 42 -2.028 -0.794 5.650 1.00 0.00 C ATOM 589 CG1 VAL A 42 -2.044 -0.255 7.084 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.482 0.292 4.690 1.00 0.00 C ATOM 0 H VAL A 42 -0.934 -3.417 5.299 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.255 -0.686 4.415 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.715 -1.640 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.043 0.107 7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.770 -1.052 7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.330 0.564 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.453 0.674 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.755 1.104 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.564 -0.122 3.685 1.00 0.00 H new ATOM 600 N PHE A 43 0.672 -0.085 6.757 1.00 0.00 N ATOM 601 CA PHE A 43 1.594 0.192 7.838 1.00 0.00 C ATOM 602 C PHE A 43 0.868 0.246 9.180 1.00 0.00 C ATOM 603 O PHE A 43 -0.116 0.969 9.334 1.00 0.00 O ATOM 604 CB PHE A 43 2.242 1.536 7.538 1.00 0.00 C ATOM 605 CG PHE A 43 3.020 2.148 8.669 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.364 2.678 9.769 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.398 2.266 8.596 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.072 3.269 10.797 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.112 2.858 9.621 1.00 0.00 C ATOM 610 CZ PHE A 43 4.447 3.367 10.720 1.00 0.00 C ATOM 0 H PHE A 43 0.272 0.755 6.339 1.00 0.00 H new ATOM 0 HA PHE A 43 2.341 -0.599 7.909 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.910 1.415 6.685 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.463 2.236 7.236 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.286 2.628 9.823 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.921 1.891 7.728 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.550 3.654 11.661 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.188 2.923 9.563 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.001 3.840 11.517 1.00 0.00 H new ATOM 893 N SER A 64 4.956 -2.271 11.448 1.00 0.00 N ATOM 894 CA SER A 64 5.114 -3.370 10.510 1.00 0.00 C ATOM 895 C SER A 64 4.050 -3.311 9.426 1.00 0.00 C ATOM 896 O SER A 64 3.074 -2.569 9.539 1.00 0.00 O ATOM 897 CB SER A 64 5.066 -4.713 11.237 1.00 0.00 C ATOM 898 OG SER A 64 4.525 -4.570 12.539 1.00 0.00 O ATOM 0 HA SER A 64 6.091 -3.272 10.036 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.463 -5.418 10.665 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.071 -5.131 11.301 1.00 0.00 H new ATOM 0 HG SER A 64 4.400 -3.619 12.739 1.00 0.00 H new ATOM 904 N LEU A 65 4.258 -4.078 8.361 1.00 0.00 N ATOM 905 CA LEU A 65 3.339 -4.073 7.233 1.00 0.00 C ATOM 906 C LEU A 65 2.624 -5.422 7.145 1.00 0.00 C ATOM 907 O LEU A 65 3.212 -6.468 7.418 1.00 0.00 O ATOM 908 CB LEU A 65 4.088 -3.767 5.921 1.00 0.00 C ATOM 909 CG LEU A 65 3.486 -4.368 4.640 1.00 0.00 C ATOM 910 CD1 LEU A 65 2.053 -3.896 4.450 1.00 0.00 C ATOM 911 CD2 LEU A 65 4.329 -3.999 3.429 1.00 0.00 C ATOM 0 H LEU A 65 5.053 -4.709 8.257 1.00 0.00 H new ATOM 0 HA LEU A 65 2.597 -3.289 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.140 -2.685 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.112 -4.126 6.019 1.00 0.00 H new ATOM 0 HG LEU A 65 3.482 -5.453 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.644 -4.332 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.451 -4.208 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.035 -2.809 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.887 -4.433 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.365 -2.914 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.340 -4.385 3.558 1.00 0.00 H new ATOM 923 N PHE A 66 1.334 -5.374 6.843 1.00 0.00 N ATOM 924 CA PHE A 66 0.520 -6.574 6.739 1.00 0.00 C ATOM 925 C PHE A 66 0.314 -6.942 5.282 1.00 0.00 C ATOM 926 O PHE A 66 -0.355 -6.228 4.545 1.00 0.00 O ATOM 927 CB PHE A 66 -0.832 -6.345 7.412 1.00 0.00 C ATOM 928 CG PHE A 66 -0.800 -6.525 8.902 1.00 0.00 C ATOM 929 CD1 PHE A 66 -0.122 -7.592 9.469 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.449 -5.629 9.736 1.00 0.00 C ATOM 931 CE1 PHE A 66 -0.091 -7.760 10.841 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.423 -5.793 11.108 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.742 -6.860 11.660 1.00 0.00 C ATOM 0 H PHE A 66 0.826 -4.508 6.664 1.00 0.00 H new ATOM 0 HA PHE A 66 1.035 -7.393 7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.176 -5.336 7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.561 -7.034 6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.388 -8.300 8.832 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.982 -4.792 9.309 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.442 -8.595 11.271 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.934 -5.088 11.747 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.719 -6.990 12.732 1.00 0.00 H new ATOM 943 N VAL A 67 0.884 -8.061 4.872 1.00 0.00 N ATOM 944 CA VAL A 67 0.796 -8.483 3.485 1.00 0.00 C ATOM 945 C VAL A 67 -0.228 -9.599 3.302 1.00 0.00 C ATOM 946 O VAL A 67 -0.596 -10.284 4.257 1.00 0.00 O ATOM 947 CB VAL A 67 2.174 -8.924 2.972 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.640 -10.187 3.681 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.154 -9.116 1.463 1.00 0.00 C ATOM 0 H VAL A 67 1.411 -8.692 5.476 1.00 0.00 H new ATOM 0 HA VAL A 67 0.459 -7.629 2.898 1.00 0.00 H new ATOM 0 HB VAL A 67 2.889 -8.133 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.619 -10.478 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.710 -9.998 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.926 -10.990 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.141 -9.428 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.422 -9.881 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.884 -8.177 0.980 1.00 0.00 H new ATOM 959 N ARG A 68 -0.716 -9.744 2.074 1.00 0.00 N ATOM 960 CA ARG A 68 -1.757 -10.721 1.767 1.00 0.00 C ATOM 961 C ARG A 68 -1.264 -12.161 1.904 1.00 0.00 C ATOM 962 O ARG A 68 -2.040 -13.053 2.247 1.00 0.00 O ATOM 963 CB ARG A 68 -2.297 -10.485 0.354 1.00 0.00 C ATOM 964 CG ARG A 68 -3.779 -10.792 0.212 1.00 0.00 C ATOM 965 CD ARG A 68 -4.631 -9.763 0.936 1.00 0.00 C ATOM 966 NE ARG A 68 -6.058 -9.972 0.707 1.00 0.00 N ATOM 967 CZ ARG A 68 -6.791 -10.855 1.379 1.00 0.00 C ATOM 968 NH1 ARG A 68 -6.233 -11.607 2.318 1.00 0.00 N ATOM 969 NH2 ARG A 68 -8.083 -10.983 1.113 1.00 0.00 N ATOM 0 H ARG A 68 -0.406 -9.195 1.272 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.556 -10.582 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.121 -9.446 0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.737 -11.103 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.048 -10.811 -0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.986 -11.784 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.425 -9.810 2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.353 -8.763 0.602 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.518 -9.409 -0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.239 -11.509 2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.797 -12.283 2.832 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.515 -10.404 0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.645 -11.660 1.628 1.00 0.00 H new ATOM 983 N THR A 69 0.017 -12.395 1.631 1.00 0.00 N ATOM 984 CA THR A 69 0.569 -13.744 1.720 1.00 0.00 C ATOM 985 C THR A 69 1.970 -13.740 2.343 1.00 0.00 C ATOM 986 O THR A 69 2.104 -13.752 3.566 1.00 0.00 O ATOM 987 CB THR A 69 0.589 -14.403 0.337 1.00 0.00 C ATOM 988 OG1 THR A 69 0.723 -13.425 -0.680 1.00 0.00 O ATOM 989 CG2 THR A 69 -0.654 -15.212 0.040 1.00 0.00 C ATOM 0 H THR A 69 0.685 -11.678 1.350 1.00 0.00 H new ATOM 0 HA THR A 69 -0.077 -14.328 2.376 1.00 0.00 H new ATOM 0 HB THR A 69 1.444 -15.079 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.736 -13.864 -1.556 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.574 -15.651 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.757 -16.006 0.780 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.529 -14.563 0.081 1.00 0.00 H new ATOM 997 N ASP A 70 3.014 -13.740 1.509 1.00 0.00 N ATOM 998 CA ASP A 70 4.382 -13.759 2.016 1.00 0.00 C ATOM 999 C ASP A 70 5.366 -13.169 1.007 1.00 0.00 C ATOM 1000 O ASP A 70 6.569 -13.416 1.090 1.00 0.00 O ATOM 1001 CB ASP A 70 4.794 -15.192 2.360 1.00 0.00 C ATOM 1002 CG ASP A 70 4.301 -16.199 1.339 1.00 0.00 C ATOM 1003 OD1 ASP A 70 3.968 -15.782 0.209 1.00 0.00 O ATOM 1004 OD2 ASP A 70 4.248 -17.401 1.670 1.00 0.00 O ATOM 0 H ASP A 70 2.937 -13.727 0.492 1.00 0.00 H new ATOM 0 HA ASP A 70 4.410 -13.143 2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.881 -15.248 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.401 -15.454 3.343 1.00 0.00 H new ATOM 1009 N GLU A 71 4.858 -12.388 0.060 1.00 0.00 N ATOM 1010 CA GLU A 71 5.710 -11.752 -0.935 1.00 0.00 C ATOM 1011 C GLU A 71 6.700 -10.823 -0.253 1.00 0.00 C ATOM 1012 O GLU A 71 7.903 -10.878 -0.511 1.00 0.00 O ATOM 1013 CB GLU A 71 4.867 -10.973 -1.946 1.00 0.00 C ATOM 1014 CG GLU A 71 5.414 -11.029 -3.363 1.00 0.00 C ATOM 1015 CD GLU A 71 4.575 -10.234 -4.344 1.00 0.00 C ATOM 1016 OE1 GLU A 71 3.535 -10.757 -4.796 1.00 0.00 O ATOM 1017 OE2 GLU A 71 4.960 -9.090 -4.663 1.00 0.00 O ATOM 0 H GLU A 71 3.864 -12.181 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 71 6.259 -12.527 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.851 -11.368 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.805 -9.932 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.435 -10.646 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.461 -12.068 -3.689 1.00 0.00 H new ATOM 1024 N VAL A 72 6.188 -9.991 0.644 1.00 0.00 N ATOM 1025 CA VAL A 72 7.027 -9.074 1.397 1.00 0.00 C ATOM 1026 C VAL A 72 8.152 -9.829 2.090 1.00 0.00 C ATOM 1027 O VAL A 72 9.275 -9.336 2.195 1.00 0.00 O ATOM 1028 CB VAL A 72 6.219 -8.307 2.450 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.278 -7.317 1.782 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.457 -9.278 3.337 1.00 0.00 C ATOM 0 H VAL A 72 5.194 -9.934 0.867 1.00 0.00 H new ATOM 0 HA VAL A 72 7.443 -8.360 0.686 1.00 0.00 H new ATOM 0 HB VAL A 72 6.906 -7.741 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.712 -6.781 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.857 -6.606 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.589 -7.853 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.887 -8.721 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.775 -9.870 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.161 -9.940 3.841 1.00 0.00 H new ATOM 1040 N ARG A 73 7.850 -11.042 2.542 1.00 0.00 N ATOM 1041 CA ARG A 73 8.849 -11.885 3.186 1.00 0.00 C ATOM 1042 C ARG A 73 10.070 -12.025 2.289 1.00 0.00 C ATOM 1043 O ARG A 73 11.201 -12.144 2.763 1.00 0.00 O ATOM 1044 CB ARG A 73 8.261 -13.264 3.488 1.00 0.00 C ATOM 1045 CG ARG A 73 9.058 -14.055 4.510 1.00 0.00 C ATOM 1046 CD ARG A 73 10.069 -14.970 3.840 1.00 0.00 C ATOM 1047 NE ARG A 73 10.888 -15.689 4.812 1.00 0.00 N ATOM 1048 CZ ARG A 73 10.485 -16.786 5.444 1.00 0.00 C ATOM 1049 NH1 ARG A 73 9.281 -17.288 5.204 1.00 0.00 N ATOM 1050 NH2 ARG A 73 11.285 -17.384 6.316 1.00 0.00 N ATOM 0 H ARG A 73 6.923 -11.462 2.474 1.00 0.00 H new ATOM 0 HA ARG A 73 9.150 -11.418 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.240 -13.143 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.204 -13.836 2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.575 -13.368 5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.379 -14.648 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.545 -15.687 3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.714 -14.381 3.188 1.00 0.00 H new ATOM 0 HE ARG A 73 11.820 -15.329 5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.663 -16.832 4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.973 -18.130 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.212 -17.002 6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.973 -18.226 6.800 1.00 0.00 H new ATOM 1064 N GLN A 74 9.826 -11.998 0.983 1.00 0.00 N ATOM 1065 CA GLN A 74 10.889 -12.098 -0.010 1.00 0.00 C ATOM 1066 C GLN A 74 11.536 -10.738 -0.245 1.00 0.00 C ATOM 1067 O GLN A 74 12.669 -10.655 -0.720 1.00 0.00 O ATOM 1068 CB GLN A 74 10.330 -12.648 -1.326 1.00 0.00 C ATOM 1069 CG GLN A 74 9.182 -13.628 -1.135 1.00 0.00 C ATOM 1070 CD GLN A 74 9.084 -14.639 -2.260 1.00 0.00 C ATOM 1071 OE1 GLN A 74 10.066 -14.919 -2.947 1.00 0.00 O ATOM 1072 NE2 GLN A 74 7.893 -15.194 -2.455 1.00 0.00 N ATOM 0 H GLN A 74 8.891 -11.907 0.585 1.00 0.00 H new ATOM 0 HA GLN A 74 11.650 -12.782 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.989 -11.816 -1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.132 -13.143 -1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.312 -14.154 -0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.245 -13.075 -1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.105 -14.933 -1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.766 -15.881 -3.198 1.00 0.00 H new ATOM 1081 N LEU A 75 10.812 -9.677 0.102 1.00 0.00 N ATOM 1082 CA LEU A 75 11.314 -8.320 -0.040 1.00 0.00 C ATOM 1083 C LEU A 75 12.473 -8.072 0.919 1.00 0.00 C ATOM 1084 O LEU A 75 12.378 -7.256 1.837 1.00 0.00 O ATOM 1085 CB LEU A 75 10.192 -7.324 0.222 1.00 0.00 C ATOM 1086 CG LEU A 75 10.060 -6.231 -0.817 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.736 -5.515 -0.634 1.00 0.00 C ATOM 1088 CD2 LEU A 75 11.225 -5.266 -0.728 1.00 0.00 C ATOM 0 H LEU A 75 9.869 -9.736 0.486 1.00 0.00 H new ATOM 0 HA LEU A 75 11.679 -8.188 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.249 -7.867 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.354 -6.863 1.196 1.00 0.00 H new ATOM 0 HG LEU A 75 10.080 -6.676 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.641 -4.728 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.918 -6.226 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.695 -5.075 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.112 -4.488 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.245 -4.811 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.157 -5.804 -0.899 1.00 0.00 H new ATOM 1100 N ARG A 76 13.561 -8.797 0.711 1.00 0.00 N ATOM 1101 CA ARG A 76 14.734 -8.675 1.560 1.00 0.00 C ATOM 1102 C ARG A 76 15.214 -7.228 1.621 1.00 0.00 C ATOM 1103 O ARG A 76 14.850 -6.406 0.778 1.00 0.00 O ATOM 1104 CB ARG A 76 15.843 -9.593 1.045 1.00 0.00 C ATOM 1105 CG ARG A 76 15.428 -11.057 0.972 1.00 0.00 C ATOM 1106 CD ARG A 76 15.721 -11.780 2.276 1.00 0.00 C ATOM 1107 NE ARG A 76 17.139 -12.101 2.416 1.00 0.00 N ATOM 1108 CZ ARG A 76 17.736 -12.322 3.582 1.00 0.00 C ATOM 1109 NH1 ARG A 76 17.043 -12.260 4.712 1.00 0.00 N ATOM 1110 NH2 ARG A 76 19.031 -12.607 3.621 1.00 0.00 N ATOM 0 H ARG A 76 13.655 -9.479 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 76 14.467 -8.978 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.150 -9.260 0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.713 -9.501 1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.364 -11.125 0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.958 -11.547 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.405 -11.159 3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.135 -12.698 2.321 1.00 0.00 H new ATOM 0 HE ARG A 76 17.704 -12.159 1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.047 -12.042 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.506 -12.431 5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.569 -12.656 2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.489 -12.777 4.516 1.00 0.00 H new ATOM 1124 N ARG A 77 16.004 -6.914 2.642 1.00 0.00 N ATOM 1125 CA ARG A 77 16.510 -5.564 2.840 1.00 0.00 C ATOM 1126 C ARG A 77 17.199 -5.037 1.583 1.00 0.00 C ATOM 1127 O ARG A 77 17.842 -5.790 0.851 1.00 0.00 O ATOM 1128 CB ARG A 77 17.479 -5.562 4.022 1.00 0.00 C ATOM 1129 CG ARG A 77 18.258 -4.272 4.200 1.00 0.00 C ATOM 1130 CD ARG A 77 19.525 -4.520 4.995 1.00 0.00 C ATOM 1131 NE ARG A 77 20.547 -3.510 4.734 1.00 0.00 N ATOM 1132 CZ ARG A 77 21.330 -3.516 3.661 1.00 0.00 C ATOM 1133 NH1 ARG A 77 21.207 -4.473 2.752 1.00 0.00 N ATOM 1134 NH2 ARG A 77 22.238 -2.563 3.496 1.00 0.00 N ATOM 0 H ARG A 77 16.309 -7.583 3.349 1.00 0.00 H new ATOM 0 HA ARG A 77 15.670 -4.902 3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.918 -5.761 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.185 -6.383 3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.510 -3.855 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.639 -3.535 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.288 -4.528 6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.919 -5.506 4.748 1.00 0.00 H new ATOM 0 HE ARG A 77 20.666 -2.758 5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.510 -5.207 2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.810 -4.475 1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.335 -1.825 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.839 -2.568 2.672 1.00 0.00 H new ATOM 1148 N GLY A 78 17.065 -3.734 1.347 1.00 0.00 N ATOM 1149 CA GLY A 78 17.690 -3.117 0.191 1.00 0.00 C ATOM 1150 C GLY A 78 16.745 -2.983 -0.988 1.00 0.00 C ATOM 1151 O GLY A 78 17.165 -3.074 -2.141 1.00 0.00 O ATOM 0 H GLY A 78 16.534 -3.094 1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.060 -2.130 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.555 -3.709 -0.108 1.00 0.00 H new ATOM 1155 N ASP A 79 15.464 -2.770 -0.701 1.00 0.00 N ATOM 1156 CA ASP A 79 14.461 -2.632 -1.752 1.00 0.00 C ATOM 1157 C ASP A 79 13.444 -1.544 -1.410 1.00 0.00 C ATOM 1158 O ASP A 79 13.168 -1.284 -0.239 1.00 0.00 O ATOM 1159 CB ASP A 79 13.748 -3.964 -1.976 1.00 0.00 C ATOM 1160 CG ASP A 79 14.618 -4.968 -2.706 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.594 -4.543 -3.360 1.00 0.00 O ATOM 1162 OD2 ASP A 79 14.325 -6.179 -2.623 1.00 0.00 O ATOM 0 H ASP A 79 15.097 -2.689 0.247 1.00 0.00 H new ATOM 0 HA ASP A 79 14.973 -2.339 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.448 -4.379 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.836 -3.793 -2.548 1.00 0.00 H new ATOM 1167 N THR A 80 12.892 -0.909 -2.443 1.00 0.00 N ATOM 1168 CA THR A 80 11.911 0.156 -2.253 1.00 0.00 C ATOM 1169 C THR A 80 10.553 -0.233 -2.833 1.00 0.00 C ATOM 1170 O THR A 80 10.473 -0.903 -3.863 1.00 0.00 O ATOM 1171 CB THR A 80 12.403 1.447 -2.910 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.810 1.565 -2.788 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.783 2.695 -2.320 1.00 0.00 C ATOM 0 H THR A 80 13.108 -1.114 -3.419 1.00 0.00 H new ATOM 0 HA THR A 80 11.792 0.316 -1.181 1.00 0.00 H new ATOM 0 HB THR A 80 12.101 1.373 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.107 2.395 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.176 3.573 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.701 2.657 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.025 2.755 -1.259 1.00 0.00 H new ATOM 1181 N LEU A 81 9.486 0.213 -2.175 1.00 0.00 N ATOM 1182 CA LEU A 81 8.127 -0.084 -2.607 1.00 0.00 C ATOM 1183 C LEU A 81 7.276 1.188 -2.569 1.00 0.00 C ATOM 1184 O LEU A 81 7.658 2.170 -1.941 1.00 0.00 O ATOM 1185 CB LEU A 81 7.508 -1.180 -1.723 1.00 0.00 C ATOM 1186 CG LEU A 81 8.239 -1.429 -0.395 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.361 -2.174 0.599 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.529 -2.190 -0.641 1.00 0.00 C ATOM 0 H LEU A 81 9.540 0.786 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 81 8.156 -0.453 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.474 -0.911 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.484 -2.112 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 81 8.477 -0.459 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.913 -2.331 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.466 -1.587 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.074 -3.138 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.038 -2.360 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.303 -3.148 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.174 -1.609 -1.300 1.00 0.00 H new ATOM 1200 N THR A 82 6.171 1.191 -3.305 1.00 0.00 N ATOM 1201 CA THR A 82 5.289 2.359 -3.376 1.00 0.00 C ATOM 1202 C THR A 82 3.870 1.987 -2.950 1.00 0.00 C ATOM 1203 O THR A 82 3.317 1.019 -3.459 1.00 0.00 O ATOM 1204 CB THR A 82 5.271 2.887 -4.810 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.454 1.827 -5.733 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.342 3.914 -5.078 1.00 0.00 C ATOM 0 H THR A 82 5.860 0.397 -3.864 1.00 0.00 H new ATOM 0 HA THR A 82 5.664 3.128 -2.700 1.00 0.00 H new ATOM 0 HB THR A 82 4.297 3.359 -4.935 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.438 2.182 -6.646 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.275 4.248 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.204 4.766 -4.412 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.323 3.471 -4.903 1.00 0.00 H new ATOM 1214 N ILE A 83 3.265 2.752 -2.034 1.00 0.00 N ATOM 1215 CA ILE A 83 1.916 2.406 -1.569 1.00 0.00 C ATOM 1216 C ILE A 83 0.900 3.564 -1.700 1.00 0.00 C ATOM 1217 O ILE A 83 0.662 4.027 -2.816 1.00 0.00 O ATOM 1218 CB ILE A 83 1.963 1.783 -0.146 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.607 1.263 0.337 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.551 2.744 0.850 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.725 -0.068 1.016 1.00 0.00 C ATOM 0 H ILE A 83 3.670 3.587 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 83 1.533 1.640 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 83 2.615 0.913 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.167 1.984 1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.072 1.178 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.571 2.280 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.567 3.002 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.943 3.648 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.261 -0.399 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.140 -0.796 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.382 0.022 1.881 1.00 0.00 H new ATOM 1233 N GLY A 84 0.179 3.926 -0.628 1.00 0.00 N ATOM 1234 CA GLY A 84 -0.826 4.965 -0.749 1.00 0.00 C ATOM 1235 C GLY A 84 -0.214 6.246 -1.232 1.00 0.00 C ATOM 1236 O GLY A 84 -0.371 6.625 -2.392 1.00 0.00 O ATOM 0 H GLY A 84 0.276 3.521 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.604 4.645 -1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.305 5.127 0.216 1.00 0.00 H new ATOM 1240 N GLU A 85 0.555 6.876 -0.358 1.00 0.00 N ATOM 1241 CA GLU A 85 1.351 8.029 -0.763 1.00 0.00 C ATOM 1242 C GLU A 85 2.226 7.615 -1.938 1.00 0.00 C ATOM 1243 O GLU A 85 2.578 8.437 -2.776 1.00 0.00 O ATOM 1244 CB GLU A 85 2.240 8.561 0.378 1.00 0.00 C ATOM 1245 CG GLU A 85 1.854 8.092 1.775 1.00 0.00 C ATOM 1246 CD GLU A 85 0.391 8.337 2.089 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -0.028 9.512 2.085 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -0.335 7.352 2.338 1.00 0.00 O ATOM 0 H GLU A 85 0.646 6.615 0.624 1.00 0.00 H new ATOM 0 HA GLU A 85 0.671 8.835 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.270 8.262 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.215 9.651 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.069 7.027 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.471 8.608 2.511 1.00 0.00 H new ATOM 1255 N GLU A 86 2.479 6.300 -2.018 1.00 0.00 N ATOM 1256 CA GLU A 86 3.302 5.695 -3.052 1.00 0.00 C ATOM 1257 C GLU A 86 4.749 5.659 -2.587 1.00 0.00 C ATOM 1258 O GLU A 86 5.680 5.821 -3.372 1.00 0.00 O ATOM 1259 CB GLU A 86 3.131 6.389 -4.410 1.00 0.00 C ATOM 1260 CG GLU A 86 4.127 7.507 -4.704 1.00 0.00 C ATOM 1261 CD GLU A 86 3.571 8.553 -5.650 1.00 0.00 C ATOM 1262 OE1 GLU A 86 3.433 8.251 -6.853 1.00 0.00 O ATOM 1263 OE2 GLU A 86 3.275 9.675 -5.187 1.00 0.00 O ATOM 0 H GLU A 86 2.107 5.624 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 86 2.969 4.670 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.212 5.638 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.123 6.800 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.416 7.986 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.032 7.078 -5.135 1.00 0.00 H new ATOM 1270 N ASN A 87 4.922 5.501 -1.281 1.00 0.00 N ATOM 1271 CA ASN A 87 6.250 5.409 -0.706 1.00 0.00 C ATOM 1272 C ASN A 87 6.302 4.398 0.433 1.00 0.00 C ATOM 1273 O ASN A 87 5.797 4.644 1.528 1.00 0.00 O ATOM 1274 CB ASN A 87 6.723 6.774 -0.218 1.00 0.00 C ATOM 1275 CG ASN A 87 7.177 7.669 -1.354 1.00 0.00 C ATOM 1276 OD1 ASN A 87 6.375 8.083 -2.192 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.469 7.971 -1.388 1.00 0.00 N ATOM 0 H ASN A 87 4.161 5.435 -0.606 1.00 0.00 H new ATOM 0 HA ASN A 87 6.920 5.063 -1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.914 7.263 0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.544 6.640 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.834 8.569 -2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.097 7.605 -0.672 1.00 0.00 H new ATOM 1284 N PHE A 88 6.977 3.292 0.172 1.00 0.00 N ATOM 1285 CA PHE A 88 7.197 2.245 1.155 1.00 0.00 C ATOM 1286 C PHE A 88 8.625 1.761 1.039 1.00 0.00 C ATOM 1287 O PHE A 88 9.150 1.590 -0.061 1.00 0.00 O ATOM 1288 CB PHE A 88 6.249 1.058 0.933 1.00 0.00 C ATOM 1289 CG PHE A 88 5.103 0.936 1.902 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.781 1.964 2.760 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.349 -0.227 1.948 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.710 1.859 3.628 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.290 -0.349 2.827 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.962 0.701 3.659 1.00 0.00 C ATOM 0 H PHE A 88 7.392 3.093 -0.738 1.00 0.00 H new ATOM 0 HA PHE A 88 7.003 2.656 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.840 1.129 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.834 0.139 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.374 2.866 2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.592 -1.047 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.460 2.682 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.720 -1.265 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.122 0.616 4.333 1.00 0.00 H new ATOM 1304 N TRP A 89 9.256 1.578 2.173 1.00 0.00 N ATOM 1305 CA TRP A 89 10.622 1.091 2.203 1.00 0.00 C ATOM 1306 C TRP A 89 10.729 -0.061 3.173 1.00 0.00 C ATOM 1307 O TRP A 89 10.071 -0.067 4.214 1.00 0.00 O ATOM 1308 CB TRP A 89 11.605 2.202 2.589 1.00 0.00 C ATOM 1309 CG TRP A 89 11.513 3.419 1.717 1.00 0.00 C ATOM 1310 CD1 TRP A 89 10.393 4.144 1.431 1.00 0.00 C ATOM 1311 CD2 TRP A 89 12.592 4.055 1.020 1.00 0.00 C ATOM 1312 NE1 TRP A 89 10.709 5.192 0.599 1.00 0.00 N ATOM 1313 CE2 TRP A 89 12.051 5.158 0.332 1.00 0.00 C ATOM 1314 CE3 TRP A 89 13.962 3.799 0.911 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 12.834 6.002 -0.453 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 14.736 4.637 0.131 1.00 0.00 C ATOM 1317 CH2 TRP A 89 14.170 5.726 -0.542 1.00 0.00 C ATOM 0 H TRP A 89 8.849 1.758 3.091 1.00 0.00 H new ATOM 0 HA TRP A 89 10.885 0.750 1.202 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.423 2.493 3.624 1.00 0.00 H new ATOM 0 HB3 TRP A 89 12.620 1.809 2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 89 9.403 3.926 1.804 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.050 5.883 0.239 1.00 0.00 H new ATOM 0 HE3 TRP A 89 14.407 2.961 1.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 12.401 6.844 -0.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 15.795 4.448 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 89 14.802 6.362 -1.144 1.00 0.00 H new ATOM 1328 N VAL A 90 11.544 -1.045 2.837 1.00 0.00 N ATOM 1329 CA VAL A 90 11.675 -2.193 3.701 1.00 0.00 C ATOM 1330 C VAL A 90 12.703 -1.915 4.774 1.00 0.00 C ATOM 1331 O VAL A 90 13.908 -1.875 4.527 1.00 0.00 O ATOM 1332 CB VAL A 90 12.081 -3.458 2.927 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.066 -4.666 3.847 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.160 -3.671 1.740 1.00 0.00 C ATOM 0 H VAL A 90 12.112 -1.070 1.990 1.00 0.00 H new ATOM 0 HA VAL A 90 10.698 -2.373 4.150 1.00 0.00 H new ATOM 0 HB VAL A 90 13.096 -3.328 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.355 -5.554 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.769 -4.509 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.063 -4.803 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.461 -4.570 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.134 -3.784 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.222 -2.812 1.072 1.00 0.00 H new ATOM 1344 N ASP A 91 12.187 -1.721 5.969 1.00 0.00 N ATOM 1345 CA ASP A 91 12.990 -1.440 7.137 1.00 0.00 C ATOM 1346 C ASP A 91 13.382 -2.738 7.850 1.00 0.00 C ATOM 1347 O ASP A 91 14.136 -2.718 8.822 1.00 0.00 O ATOM 1348 CB ASP A 91 12.178 -0.545 8.066 1.00 0.00 C ATOM 1349 CG ASP A 91 13.033 0.159 9.103 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.098 -0.384 9.464 1.00 0.00 O ATOM 1351 OD2 ASP A 91 12.639 1.256 9.550 1.00 0.00 O ATOM 0 H ASP A 91 11.185 -1.755 6.158 1.00 0.00 H new ATOM 0 HA ASP A 91 13.911 -0.937 6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.648 0.200 7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.422 -1.146 8.572 1.00 0.00 H new ATOM 1356 N ARG A 92 12.870 -3.864 7.338 1.00 0.00 N ATOM 1357 CA ARG A 92 13.133 -5.190 7.897 1.00 0.00 C ATOM 1358 C ARG A 92 14.545 -5.318 8.463 1.00 0.00 C ATOM 1359 O ARG A 92 15.459 -4.595 8.068 1.00 0.00 O ATOM 1360 CB ARG A 92 12.913 -6.254 6.818 1.00 0.00 C ATOM 1361 CG ARG A 92 11.447 -6.579 6.586 1.00 0.00 C ATOM 1362 CD ARG A 92 11.218 -8.077 6.470 1.00 0.00 C ATOM 1363 NE ARG A 92 12.209 -8.722 5.613 1.00 0.00 N ATOM 1364 CZ ARG A 92 12.127 -9.988 5.218 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.104 -10.739 5.603 1.00 0.00 N ATOM 1366 NH2 ARG A 92 13.068 -10.505 4.439 1.00 0.00 N ATOM 0 H ARG A 92 12.260 -3.878 6.521 1.00 0.00 H new ATOM 0 HA ARG A 92 12.438 -5.338 8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.354 -5.910 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.440 -7.165 7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.851 -6.182 7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.104 -6.086 5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.252 -8.526 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.220 -8.260 6.071 1.00 0.00 H new ATOM 0 HE ARG A 92 13.008 -8.170 5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.379 -10.345 6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.042 -11.711 5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.857 -9.930 4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.003 -11.477 4.137 1.00 0.00 H new ATOM 1499 N LEU A 103 7.572 -7.480 8.458 1.00 0.00 N ATOM 1500 CA LEU A 103 7.979 -6.404 7.576 1.00 0.00 C ATOM 1501 C LEU A 103 7.883 -5.060 8.280 1.00 0.00 C ATOM 1502 O LEU A 103 6.788 -4.565 8.529 1.00 0.00 O ATOM 1503 CB LEU A 103 7.117 -6.389 6.315 1.00 0.00 C ATOM 1504 CG LEU A 103 7.841 -5.960 5.027 1.00 0.00 C ATOM 1505 CD1 LEU A 103 6.836 -5.519 3.976 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.836 -4.839 5.302 1.00 0.00 C ATOM 0 HA LEU A 103 9.018 -6.577 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.705 -7.387 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.274 -5.717 6.479 1.00 0.00 H new ATOM 0 HG LEU A 103 8.393 -6.821 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.364 -5.219 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.163 -6.345 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.259 -4.676 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.332 -4.557 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.309 -3.976 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.580 -5.181 6.021 1.00 0.00 H new ATOM 1518 N TRP A 104 9.034 -4.451 8.540 1.00 0.00 N ATOM 1519 CA TRP A 104 9.090 -3.149 9.189 1.00 0.00 C ATOM 1520 C TRP A 104 9.249 -2.076 8.117 1.00 0.00 C ATOM 1521 O TRP A 104 10.069 -2.213 7.214 1.00 0.00 O ATOM 1522 CB TRP A 104 10.246 -3.130 10.194 1.00 0.00 C ATOM 1523 CG TRP A 104 10.587 -1.773 10.737 1.00 0.00 C ATOM 1524 CD1 TRP A 104 9.795 -0.661 10.748 1.00 0.00 C ATOM 1525 CD2 TRP A 104 11.825 -1.388 11.348 1.00 0.00 C ATOM 1526 NE1 TRP A 104 10.464 0.389 11.328 1.00 0.00 N ATOM 1527 CE2 TRP A 104 11.711 -0.032 11.705 1.00 0.00 C ATOM 1528 CE3 TRP A 104 13.017 -2.061 11.627 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 12.745 0.664 12.327 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 14.043 -1.370 12.245 1.00 0.00 C ATOM 1531 CH2 TRP A 104 13.901 -0.021 12.588 1.00 0.00 C ATOM 0 H TRP A 104 9.947 -4.843 8.309 1.00 0.00 H new ATOM 0 HA TRP A 104 8.171 -2.949 9.741 1.00 0.00 H new ATOM 0 HB2 TRP A 104 9.995 -3.786 11.027 1.00 0.00 H new ATOM 0 HB3 TRP A 104 11.132 -3.547 9.715 1.00 0.00 H new ATOM 0 HD1 TRP A 104 8.789 -0.614 10.358 1.00 0.00 H new ATOM 0 HE1 TRP A 104 10.092 1.330 11.457 1.00 0.00 H new ATOM 0 HE3 TRP A 104 13.135 -3.102 11.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 12.639 1.705 12.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 14.969 -1.880 12.467 1.00 0.00 H new ATOM 0 HH2 TRP A 104 14.721 0.491 13.069 1.00 0.00 H new ATOM 1542 N LEU A 105 8.380 -1.071 8.154 1.00 0.00 N ATOM 1543 CA LEU A 105 8.309 -0.088 7.084 1.00 0.00 C ATOM 1544 C LEU A 105 9.001 1.233 7.380 1.00 0.00 C ATOM 1545 O LEU A 105 9.136 1.657 8.527 1.00 0.00 O ATOM 1546 CB LEU A 105 6.851 0.239 6.794 1.00 0.00 C ATOM 1547 CG LEU A 105 5.985 -0.921 6.330 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.605 -1.808 7.498 1.00 0.00 C ATOM 1549 CD2 LEU A 105 4.753 -0.380 5.657 1.00 0.00 C ATOM 0 H LEU A 105 7.717 -0.918 8.913 1.00 0.00 H new ATOM 0 HA LEU A 105 8.825 -0.552 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.407 0.659 7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.819 1.017 6.032 1.00 0.00 H new ATOM 0 HG LEU A 105 6.549 -1.527 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.985 -2.632 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.508 -2.206 7.961 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.048 -1.225 8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.128 -1.208 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.194 0.235 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.044 0.226 4.799 1.00 0.00 H new ATOM 1561 N GLY A 106 9.275 1.937 6.287 1.00 0.00 N ATOM 1562 CA GLY A 106 9.799 3.286 6.328 1.00 0.00 C ATOM 1563 C GLY A 106 9.314 4.072 5.116 1.00 0.00 C ATOM 1564 O GLY A 106 9.742 3.804 3.996 1.00 0.00 O ATOM 0 H GLY A 106 9.136 1.579 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.479 3.781 7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.889 3.261 6.343 1.00 0.00 H new ATOM 1568 N ARG A 107 8.390 5.014 5.317 1.00 0.00 N ATOM 1569 CA ARG A 107 7.829 5.771 4.192 1.00 0.00 C ATOM 1570 C ARG A 107 8.526 7.111 4.023 1.00 0.00 C ATOM 1571 O ARG A 107 8.665 7.874 4.979 1.00 0.00 O ATOM 1572 CB ARG A 107 6.330 6.039 4.392 1.00 0.00 C ATOM 1573 CG ARG A 107 5.478 4.793 4.469 1.00 0.00 C ATOM 1574 CD ARG A 107 4.151 4.992 3.740 1.00 0.00 C ATOM 1575 NE ARG A 107 3.015 4.983 4.658 1.00 0.00 N ATOM 1576 CZ ARG A 107 1.747 4.981 4.258 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.458 4.985 2.965 1.00 0.00 N ATOM 1578 NH2 ARG A 107 0.767 4.973 5.152 1.00 0.00 N ATOM 0 H ARG A 107 8.018 5.269 6.232 1.00 0.00 H new ATOM 0 HA ARG A 107 7.982 5.159 3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.195 6.614 5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.971 6.659 3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.016 3.953 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.290 4.541 5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.173 5.938 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.023 4.204 2.998 1.00 0.00 H new ATOM 0 HE ARG A 107 3.205 4.978 5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.209 4.990 2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.485 4.983 2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.986 4.968 6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.205 4.972 4.843 1.00 0.00 H new ATOM 1592 N GLY A 108 8.922 7.414 2.794 1.00 0.00 N ATOM 1593 CA GLY A 108 9.520 8.701 2.517 1.00 0.00 C ATOM 1594 C GLY A 108 8.557 9.836 2.820 1.00 0.00 C ATOM 1595 O GLY A 108 8.968 10.986 2.973 1.00 0.00 O ATOM 0 H GLY A 108 8.840 6.794 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.424 8.820 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.821 8.747 1.470 1.00 0.00 H new