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 Single : A 25 THR OG1 : rot -99:sc= -1.59! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 31 SER OG : rot 180:sc= 0.135 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -19:sc= 0.773 USER MOD Single : A 69 THR OG1 : rot -26:sc= 0.702 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot -97:sc= 0.107 USER MOD Single : A 82 THR OG1 : rot 131:sc= -1.33 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -8.107 -2.213 1.369 1.00 0.00 N ATOM 352 CA GLY A 24 -7.935 -1.862 -0.027 1.00 0.00 C ATOM 353 C GLY A 24 -6.635 -1.130 -0.293 1.00 0.00 C ATOM 354 O GLY A 24 -6.581 -0.244 -1.145 1.00 0.00 O ATOM 0 HA2 GLY A 24 -7.966 -2.769 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.770 -1.238 -0.345 1.00 0.00 H new ATOM 358 N THR A 25 -5.570 -1.545 0.385 1.00 0.00 N ATOM 359 CA THR A 25 -4.278 -0.896 0.224 1.00 0.00 C ATOM 360 C THR A 25 -3.432 -1.557 -0.850 1.00 0.00 C ATOM 361 O THR A 25 -3.285 -2.782 -0.887 1.00 0.00 O ATOM 362 CB THR A 25 -3.502 -0.916 1.531 1.00 0.00 C ATOM 363 OG1 THR A 25 -2.128 -0.719 1.283 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.643 -2.218 2.299 1.00 0.00 C ATOM 0 H THR A 25 -5.577 -2.322 1.046 1.00 0.00 H new ATOM 0 HA THR A 25 -4.484 0.131 -0.078 1.00 0.00 H new ATOM 0 HB THR A 25 -3.925 -0.113 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.668 -1.585 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.063 -2.162 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.693 -2.386 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.274 -3.042 1.688 1.00 0.00 H new ATOM 372 N SER A 26 -2.784 -0.715 -1.641 1.00 0.00 N ATOM 373 CA SER A 26 -1.915 -1.169 -2.710 1.00 0.00 C ATOM 374 C SER A 26 -0.481 -0.722 -2.481 1.00 0.00 C ATOM 375 O SER A 26 -0.218 0.471 -2.401 1.00 0.00 O ATOM 376 CB SER A 26 -2.391 -0.580 -4.032 1.00 0.00 C ATOM 377 OG SER A 26 -3.690 -1.037 -4.364 1.00 0.00 O ATOM 0 H SER A 26 -2.847 0.300 -1.558 1.00 0.00 H new ATOM 0 HA SER A 26 -1.950 -2.258 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.392 0.508 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.694 -0.852 -4.825 1.00 0.00 H new ATOM 0 HG SER A 26 -3.968 -0.641 -5.216 1.00 0.00 H new ATOM 383 N ALA A 27 0.447 -1.674 -2.452 1.00 0.00 N ATOM 384 CA ALA A 27 1.868 -1.357 -2.347 1.00 0.00 C ATOM 385 C ALA A 27 2.613 -2.031 -3.483 1.00 0.00 C ATOM 386 O ALA A 27 2.263 -3.129 -3.903 1.00 0.00 O ATOM 387 CB ALA A 27 2.456 -1.768 -0.998 1.00 0.00 C ATOM 0 H ALA A 27 0.241 -2.672 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 27 1.981 -0.275 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.515 -1.511 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.933 -1.243 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.340 -2.843 -0.863 1.00 0.00 H new ATOM 393 N THR A 28 3.586 -1.331 -4.025 1.00 0.00 N ATOM 394 CA THR A 28 4.343 -1.826 -5.157 1.00 0.00 C ATOM 395 C THR A 28 5.808 -1.978 -4.783 1.00 0.00 C ATOM 396 O THR A 28 6.393 -1.089 -4.173 1.00 0.00 O ATOM 397 CB THR A 28 4.166 -0.864 -6.337 1.00 0.00 C ATOM 398 OG1 THR A 28 2.887 -1.032 -6.924 1.00 0.00 O ATOM 399 CG2 THR A 28 5.195 -1.026 -7.434 1.00 0.00 C ATOM 0 H THR A 28 3.874 -0.409 -3.697 1.00 0.00 H new ATOM 0 HA THR A 28 3.974 -2.809 -5.448 1.00 0.00 H new ATOM 0 HB THR A 28 4.290 0.130 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.787 -0.410 -7.675 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.996 -0.307 -8.229 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.191 -0.851 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.141 -2.037 -7.837 1.00 0.00 H new ATOM 407 N ILE A 29 6.381 -3.126 -5.116 1.00 0.00 N ATOM 408 CA ILE A 29 7.765 -3.410 -4.786 1.00 0.00 C ATOM 409 C ILE A 29 8.663 -3.269 -6.001 1.00 0.00 C ATOM 410 O ILE A 29 8.426 -3.878 -7.044 1.00 0.00 O ATOM 411 CB ILE A 29 7.924 -4.829 -4.216 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.778 -5.161 -3.261 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.254 -4.973 -3.501 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.487 -4.066 -2.257 1.00 0.00 C ATOM 0 H ILE A 29 5.904 -3.876 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 29 8.062 -2.682 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 29 7.897 -5.531 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.877 -5.357 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.018 -6.079 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.347 -5.984 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.067 -4.782 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.306 -4.256 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.662 -4.372 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.374 -3.885 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.215 -3.152 -2.784 1.00 0.00 H new ATOM 426 N THR A 30 9.706 -2.472 -5.846 1.00 0.00 N ATOM 427 CA THR A 30 10.673 -2.260 -6.911 1.00 0.00 C ATOM 428 C THR A 30 12.091 -2.374 -6.367 1.00 0.00 C ATOM 429 O THR A 30 12.620 -1.432 -5.776 1.00 0.00 O ATOM 430 CB THR A 30 10.463 -0.889 -7.553 1.00 0.00 C ATOM 431 OG1 THR A 30 11.635 -0.467 -8.229 1.00 0.00 O ATOM 432 CG2 THR A 30 10.093 0.189 -6.557 1.00 0.00 C ATOM 0 H THR A 30 9.906 -1.958 -4.988 1.00 0.00 H new ATOM 0 HA THR A 30 10.527 -3.028 -7.671 1.00 0.00 H new ATOM 0 HB THR A 30 9.632 -1.019 -8.247 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.480 0.412 -8.635 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.959 1.136 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.165 -0.083 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.889 0.291 -5.819 1.00 0.00 H new ATOM 440 N SER A 31 12.699 -3.538 -6.567 1.00 0.00 N ATOM 441 CA SER A 31 14.048 -3.787 -6.091 1.00 0.00 C ATOM 442 C SER A 31 15.005 -4.004 -7.257 1.00 0.00 C ATOM 443 O SER A 31 14.592 -4.400 -8.346 1.00 0.00 O ATOM 444 CB SER A 31 14.066 -5.006 -5.167 1.00 0.00 C ATOM 445 OG SER A 31 14.309 -6.197 -5.895 1.00 0.00 O ATOM 0 H SER A 31 12.274 -4.325 -7.058 1.00 0.00 H new ATOM 0 HA SER A 31 14.378 -2.911 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.836 -4.878 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.112 -5.084 -4.645 1.00 0.00 H new ATOM 0 HG SER A 31 14.317 -6.960 -5.280 1.00 0.00 H new ATOM 451 N GLY A 32 16.287 -3.758 -7.018 1.00 0.00 N ATOM 452 CA GLY A 32 17.281 -3.944 -8.057 1.00 0.00 C ATOM 453 C GLY A 32 17.285 -5.355 -8.615 1.00 0.00 C ATOM 454 O GLY A 32 17.803 -5.595 -9.705 1.00 0.00 O ATOM 0 H GLY A 32 16.656 -3.433 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.092 -3.238 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.268 -3.713 -7.656 1.00 0.00 H new ATOM 458 N GLU A 33 16.704 -6.290 -7.868 1.00 0.00 N ATOM 459 CA GLU A 33 16.652 -7.685 -8.293 1.00 0.00 C ATOM 460 C GLU A 33 15.441 -7.947 -9.183 1.00 0.00 C ATOM 461 O GLU A 33 15.582 -8.179 -10.384 1.00 0.00 O ATOM 462 CB GLU A 33 16.613 -8.610 -7.076 1.00 0.00 C ATOM 463 CG GLU A 33 17.709 -8.326 -6.062 1.00 0.00 C ATOM 464 CD GLU A 33 17.249 -8.531 -4.632 1.00 0.00 C ATOM 465 OE1 GLU A 33 16.501 -9.500 -4.383 1.00 0.00 O ATOM 466 OE2 GLU A 33 17.638 -7.726 -3.761 1.00 0.00 O ATOM 0 H GLU A 33 16.263 -6.107 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 33 17.552 -7.891 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.643 -8.514 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.699 -9.643 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.561 -8.976 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.055 -7.300 -6.185 1.00 0.00 H new ATOM 473 N GLN A 34 14.252 -7.920 -8.587 1.00 0.00 N ATOM 474 CA GLN A 34 13.024 -8.173 -9.331 1.00 0.00 C ATOM 475 C GLN A 34 11.978 -7.096 -9.057 1.00 0.00 C ATOM 476 O GLN A 34 10.972 -7.349 -8.393 1.00 0.00 O ATOM 477 CB GLN A 34 12.461 -9.548 -8.968 1.00 0.00 C ATOM 478 CG GLN A 34 11.222 -9.930 -9.762 1.00 0.00 C ATOM 479 CD GLN A 34 10.556 -11.186 -9.234 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.931 -11.706 -8.184 1.00 0.00 O ATOM 481 NE2 GLN A 34 9.561 -11.679 -9.963 1.00 0.00 N ATOM 0 H GLN A 34 14.114 -7.726 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 34 13.266 -8.150 -10.394 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.232 -10.301 -9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.220 -9.563 -7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.509 -9.106 -9.735 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.496 -10.080 -10.806 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.283 -11.214 -10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.075 -12.522 -9.658 1.00 0.00 H new ATOM 490 N SER A 35 12.211 -5.899 -9.587 1.00 0.00 N ATOM 491 CA SER A 35 11.277 -4.790 -9.414 1.00 0.00 C ATOM 492 C SER A 35 10.127 -4.895 -10.409 1.00 0.00 C ATOM 493 O SER A 35 10.339 -5.144 -11.596 1.00 0.00 O ATOM 494 CB SER A 35 11.996 -3.453 -9.600 1.00 0.00 C ATOM 495 OG SER A 35 12.620 -3.381 -10.870 1.00 0.00 O ATOM 0 H SER A 35 13.038 -5.672 -10.140 1.00 0.00 H new ATOM 0 HA SER A 35 10.874 -4.842 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.283 -2.635 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.743 -3.327 -8.817 1.00 0.00 H new ATOM 0 HG SER A 35 13.071 -2.516 -10.964 1.00 0.00 H new ATOM 501 N GLY A 36 8.907 -4.695 -9.920 1.00 0.00 N ATOM 502 CA GLY A 36 7.743 -4.771 -10.783 1.00 0.00 C ATOM 503 C GLY A 36 6.689 -5.722 -10.252 1.00 0.00 C ATOM 504 O GLY A 36 6.200 -6.586 -10.981 1.00 0.00 O ATOM 0 H GLY A 36 8.704 -4.482 -8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.309 -3.777 -10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.052 -5.094 -11.777 1.00 0.00 H new ATOM 508 N ALA A 37 6.341 -5.565 -8.981 1.00 0.00 N ATOM 509 CA ALA A 37 5.340 -6.417 -8.352 1.00 0.00 C ATOM 510 C ALA A 37 4.512 -5.635 -7.338 1.00 0.00 C ATOM 511 O ALA A 37 5.055 -4.992 -6.440 1.00 0.00 O ATOM 512 CB ALA A 37 6.006 -7.610 -7.684 1.00 0.00 C ATOM 0 H ALA A 37 6.737 -4.855 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 37 4.667 -6.779 -9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.246 -8.237 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.547 -8.190 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.703 -7.259 -6.923 1.00 0.00 H new ATOM 518 N VAL A 38 3.193 -5.712 -7.477 1.00 0.00 N ATOM 519 CA VAL A 38 2.286 -5.009 -6.579 1.00 0.00 C ATOM 520 C VAL A 38 1.734 -5.944 -5.508 1.00 0.00 C ATOM 521 O VAL A 38 1.121 -6.967 -5.815 1.00 0.00 O ATOM 522 CB VAL A 38 1.113 -4.374 -7.348 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.276 -5.445 -8.028 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.260 -3.528 -6.414 1.00 0.00 C ATOM 0 H VAL A 38 2.728 -6.255 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 38 2.866 -4.219 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 38 1.519 -3.722 -8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.548 -4.976 -8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.897 -6.002 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.123 -6.127 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.564 -3.087 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.138 -4.155 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.870 -2.735 -5.982 1.00 0.00 H new ATOM 534 N ILE A 39 1.960 -5.581 -4.251 1.00 0.00 N ATOM 535 CA ILE A 39 1.494 -6.374 -3.122 1.00 0.00 C ATOM 536 C ILE A 39 0.401 -5.648 -2.347 1.00 0.00 C ATOM 537 O ILE A 39 0.297 -4.423 -2.398 1.00 0.00 O ATOM 538 CB ILE A 39 2.643 -6.701 -2.155 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.205 -5.421 -1.543 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.736 -7.483 -2.866 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.689 -5.154 -0.150 1.00 0.00 C ATOM 0 H ILE A 39 2.467 -4.736 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 39 1.093 -7.299 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 39 2.250 -7.322 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.293 -5.486 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.953 -4.577 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.540 -7.705 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.324 -8.415 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.129 -6.890 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.126 -4.230 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.604 -5.058 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.964 -5.981 0.505 1.00 0.00 H new ATOM 553 N ARG A 40 -0.396 -6.415 -1.614 1.00 0.00 N ATOM 554 CA ARG A 40 -1.461 -5.852 -0.794 1.00 0.00 C ATOM 555 C ARG A 40 -1.014 -5.786 0.664 1.00 0.00 C ATOM 556 O ARG A 40 -0.462 -6.750 1.195 1.00 0.00 O ATOM 557 CB ARG A 40 -2.734 -6.698 -0.928 1.00 0.00 C ATOM 558 CG ARG A 40 -3.786 -6.416 0.136 1.00 0.00 C ATOM 559 CD ARG A 40 -5.191 -6.513 -0.433 1.00 0.00 C ATOM 560 NE ARG A 40 -5.480 -7.848 -0.947 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.639 -8.193 -1.496 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.615 -7.302 -1.605 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.823 -9.429 -1.940 1.00 0.00 N ATOM 0 H ARG A 40 -0.325 -7.432 -1.571 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.680 -4.841 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.171 -6.523 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.462 -7.753 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.675 -7.125 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.628 -5.421 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.914 -6.258 0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.310 -5.783 -1.233 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.750 -8.557 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.476 -6.350 -1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.504 -7.569 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.074 -10.116 -1.860 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.714 -9.692 -2.361 1.00 0.00 H new ATOM 577 N GLY A 41 -1.240 -4.644 1.303 1.00 0.00 N ATOM 578 CA GLY A 41 -0.839 -4.493 2.692 1.00 0.00 C ATOM 579 C GLY A 41 -0.655 -3.046 3.095 1.00 0.00 C ATOM 580 O GLY A 41 -0.455 -2.180 2.244 1.00 0.00 O ATOM 0 H GLY A 41 -1.689 -3.826 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.591 -4.952 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.093 -5.033 2.857 1.00 0.00 H new ATOM 584 N VAL A 42 -0.722 -2.777 4.398 1.00 0.00 N ATOM 585 CA VAL A 42 -0.597 -1.412 4.894 1.00 0.00 C ATOM 586 C VAL A 42 0.444 -1.303 6.011 1.00 0.00 C ATOM 587 O VAL A 42 0.857 -2.293 6.611 1.00 0.00 O ATOM 588 CB VAL A 42 -1.985 -0.862 5.354 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.919 0.024 6.603 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.621 -0.089 4.213 1.00 0.00 C ATOM 0 H VAL A 42 -0.861 -3.482 5.122 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.242 -0.793 4.070 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.589 -1.728 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.921 0.367 6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.508 -0.549 7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.281 0.885 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.590 0.296 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.974 0.742 3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.756 -0.750 3.357 1.00 0.00 H new ATOM 600 N PHE A 43 0.782 -0.058 6.313 1.00 0.00 N ATOM 601 CA PHE A 43 1.735 0.285 7.349 1.00 0.00 C ATOM 602 C PHE A 43 1.039 0.451 8.698 1.00 0.00 C ATOM 603 O PHE A 43 0.143 1.282 8.846 1.00 0.00 O ATOM 604 CB PHE A 43 2.394 1.595 6.940 1.00 0.00 C ATOM 605 CG PHE A 43 3.284 2.215 7.977 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.739 2.813 9.102 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.656 2.269 7.791 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.550 3.415 10.045 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.472 2.870 8.730 1.00 0.00 C ATOM 610 CZ PHE A 43 4.918 3.447 9.857 1.00 0.00 C ATOM 0 H PHE A 43 0.393 0.754 5.834 1.00 0.00 H new ATOM 0 HA PHE A 43 2.473 -0.509 7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.981 1.422 6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.613 2.310 6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.668 2.808 9.243 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.092 1.837 6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.115 3.860 10.928 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.542 2.889 8.583 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.554 3.922 10.590 1.00 0.00 H new ATOM 893 N SER A 64 4.918 -1.819 11.457 1.00 0.00 N ATOM 894 CA SER A 64 5.070 -2.994 10.609 1.00 0.00 C ATOM 895 C SER A 64 4.054 -2.994 9.475 1.00 0.00 C ATOM 896 O SER A 64 3.081 -2.246 9.498 1.00 0.00 O ATOM 897 CB SER A 64 4.944 -4.274 11.435 1.00 0.00 C ATOM 898 OG SER A 64 4.440 -3.997 12.731 1.00 0.00 O ATOM 0 HA SER A 64 6.066 -2.958 10.168 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.283 -4.975 10.926 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.918 -4.756 11.516 1.00 0.00 H new ATOM 0 HG SER A 64 4.562 -3.046 12.933 1.00 0.00 H new ATOM 904 N LEU A 65 4.300 -3.834 8.474 1.00 0.00 N ATOM 905 CA LEU A 65 3.437 -3.912 7.302 1.00 0.00 C ATOM 906 C LEU A 65 2.750 -5.275 7.268 1.00 0.00 C ATOM 907 O LEU A 65 3.316 -6.280 7.701 1.00 0.00 O ATOM 908 CB LEU A 65 4.234 -3.663 6.007 1.00 0.00 C ATOM 909 CG LEU A 65 3.711 -4.366 4.742 1.00 0.00 C ATOM 910 CD1 LEU A 65 2.313 -3.873 4.400 1.00 0.00 C ATOM 911 CD2 LEU A 65 4.653 -4.138 3.571 1.00 0.00 C ATOM 0 H LEU A 65 5.095 -4.473 8.452 1.00 0.00 H new ATOM 0 HA LEU A 65 2.678 -3.132 7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.255 -2.590 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.264 -3.978 6.173 1.00 0.00 H new ATOM 0 HG LEU A 65 3.664 -5.437 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.958 -4.380 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.639 -4.087 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.340 -2.798 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.264 -4.644 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.734 -3.069 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.638 -4.537 3.813 1.00 0.00 H new ATOM 923 N PHE A 66 1.488 -5.272 6.876 1.00 0.00 N ATOM 924 CA PHE A 66 0.696 -6.489 6.823 1.00 0.00 C ATOM 925 C PHE A 66 0.449 -6.896 5.384 1.00 0.00 C ATOM 926 O PHE A 66 -0.250 -6.208 4.643 1.00 0.00 O ATOM 927 CB PHE A 66 -0.636 -6.280 7.546 1.00 0.00 C ATOM 928 CG PHE A 66 -0.578 -6.559 9.024 1.00 0.00 C ATOM 929 CD1 PHE A 66 0.614 -6.440 9.725 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.719 -6.939 9.715 1.00 0.00 C ATOM 931 CE1 PHE A 66 0.667 -6.698 11.082 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.672 -7.197 11.073 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.478 -7.076 11.756 1.00 0.00 C ATOM 0 H PHE A 66 0.986 -4.432 6.587 1.00 0.00 H new ATOM 0 HA PHE A 66 1.248 -7.286 7.321 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.964 -5.252 7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.389 -6.925 7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.512 -6.142 9.204 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.656 -7.035 9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.602 -6.604 11.614 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.568 -7.493 11.599 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.439 -7.277 12.816 1.00 0.00 H new ATOM 943 N VAL A 67 1.029 -8.017 4.993 1.00 0.00 N ATOM 944 CA VAL A 67 0.900 -8.501 3.632 1.00 0.00 C ATOM 945 C VAL A 67 -0.178 -9.571 3.529 1.00 0.00 C ATOM 946 O VAL A 67 -0.441 -10.298 4.489 1.00 0.00 O ATOM 947 CB VAL A 67 2.242 -9.048 3.129 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.651 -10.287 3.916 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.180 -9.343 1.637 1.00 0.00 C ATOM 0 H VAL A 67 1.595 -8.609 5.601 1.00 0.00 H new ATOM 0 HA VAL A 67 0.604 -7.661 3.004 1.00 0.00 H new ATOM 0 HB VAL A 67 3.003 -8.284 3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.605 -10.657 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.749 -10.032 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.891 -11.060 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.143 -9.730 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.404 -10.084 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.949 -8.426 1.094 1.00 0.00 H new ATOM 959 N ARG A 68 -0.822 -9.645 2.371 1.00 0.00 N ATOM 960 CA ARG A 68 -1.910 -10.591 2.166 1.00 0.00 C ATOM 961 C ARG A 68 -1.428 -11.871 1.485 1.00 0.00 C ATOM 962 O ARG A 68 -2.218 -12.589 0.873 1.00 0.00 O ATOM 963 CB ARG A 68 -3.021 -9.940 1.340 1.00 0.00 C ATOM 964 CG ARG A 68 -4.046 -9.197 2.183 1.00 0.00 C ATOM 965 CD ARG A 68 -4.863 -10.145 3.044 1.00 0.00 C ATOM 966 NE ARG A 68 -5.899 -10.831 2.277 1.00 0.00 N ATOM 967 CZ ARG A 68 -6.860 -11.563 2.829 1.00 0.00 C ATOM 968 NH1 ARG A 68 -6.915 -11.702 4.147 1.00 0.00 N ATOM 969 NH2 ARG A 68 -7.766 -12.157 2.065 1.00 0.00 N ATOM 0 H ARG A 68 -0.610 -9.062 1.561 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.300 -10.866 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.575 -9.245 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.529 -10.709 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.537 -8.474 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.713 -8.633 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.201 -10.882 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.325 -9.587 3.858 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.884 -10.743 1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.219 -11.247 4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.653 -12.264 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.726 -12.052 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.503 -12.719 2.491 1.00 0.00 H new ATOM 983 N THR A 69 -0.138 -12.169 1.617 1.00 0.00 N ATOM 984 CA THR A 69 0.425 -13.381 1.031 1.00 0.00 C ATOM 985 C THR A 69 1.797 -13.705 1.655 1.00 0.00 C ATOM 986 O THR A 69 1.866 -14.055 2.832 1.00 0.00 O ATOM 987 CB THR A 69 0.507 -13.242 -0.494 1.00 0.00 C ATOM 988 OG1 THR A 69 -0.759 -12.909 -1.037 1.00 0.00 O ATOM 989 CG2 THR A 69 0.987 -14.500 -1.183 1.00 0.00 C ATOM 0 H THR A 69 0.534 -11.591 2.122 1.00 0.00 H new ATOM 0 HA THR A 69 -0.233 -14.221 1.253 1.00 0.00 H new ATOM 0 HB THR A 69 1.233 -12.449 -0.674 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.466 -13.238 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.022 -14.334 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.984 -14.755 -0.822 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.302 -15.319 -0.964 1.00 0.00 H new ATOM 997 N ASP A 70 2.882 -13.594 0.880 1.00 0.00 N ATOM 998 CA ASP A 70 4.220 -13.892 1.387 1.00 0.00 C ATOM 999 C ASP A 70 5.292 -13.272 0.494 1.00 0.00 C ATOM 1000 O ASP A 70 6.417 -13.767 0.426 1.00 0.00 O ATOM 1001 CB ASP A 70 4.432 -15.404 1.467 1.00 0.00 C ATOM 1002 CG ASP A 70 3.617 -16.050 2.570 1.00 0.00 C ATOM 1003 OD1 ASP A 70 2.450 -16.413 2.311 1.00 0.00 O ATOM 1004 OD2 ASP A 70 4.145 -16.193 3.693 1.00 0.00 O ATOM 0 H ASP A 70 2.857 -13.301 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 70 4.305 -13.462 2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.165 -15.855 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.489 -15.611 1.633 1.00 0.00 H new ATOM 1009 N GLU A 71 4.933 -12.194 -0.196 1.00 0.00 N ATOM 1010 CA GLU A 71 5.862 -11.507 -1.078 1.00 0.00 C ATOM 1011 C GLU A 71 6.764 -10.576 -0.282 1.00 0.00 C ATOM 1012 O GLU A 71 7.974 -10.528 -0.505 1.00 0.00 O ATOM 1013 CB GLU A 71 5.100 -10.718 -2.144 1.00 0.00 C ATOM 1014 CG GLU A 71 4.706 -11.555 -3.349 1.00 0.00 C ATOM 1015 CD GLU A 71 3.800 -10.809 -4.308 1.00 0.00 C ATOM 1016 OE1 GLU A 71 2.912 -10.070 -3.832 1.00 0.00 O ATOM 1017 OE2 GLU A 71 3.977 -10.963 -5.535 1.00 0.00 O ATOM 0 H GLU A 71 4.002 -11.779 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 71 6.483 -12.254 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.201 -10.293 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.716 -9.883 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.606 -11.871 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.202 -12.460 -3.009 1.00 0.00 H new ATOM 1024 N VAL A 72 6.171 -9.851 0.658 1.00 0.00 N ATOM 1025 CA VAL A 72 6.933 -8.946 1.503 1.00 0.00 C ATOM 1026 C VAL A 72 8.078 -9.689 2.174 1.00 0.00 C ATOM 1027 O VAL A 72 9.185 -9.166 2.303 1.00 0.00 O ATOM 1028 CB VAL A 72 6.055 -8.297 2.575 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.024 -7.386 1.931 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.392 -9.364 3.427 1.00 0.00 C ATOM 0 H VAL A 72 5.170 -9.873 0.852 1.00 0.00 H new ATOM 0 HA VAL A 72 7.328 -8.159 0.861 1.00 0.00 H new ATOM 0 HB VAL A 72 6.681 -7.687 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.406 -6.931 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.532 -6.604 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.393 -7.968 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.770 -8.889 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.772 -10.000 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.157 -9.970 3.912 1.00 0.00 H new ATOM 1040 N ARG A 73 7.812 -10.932 2.568 1.00 0.00 N ATOM 1041 CA ARG A 73 8.832 -11.777 3.173 1.00 0.00 C ATOM 1042 C ARG A 73 10.061 -11.828 2.276 1.00 0.00 C ATOM 1043 O ARG A 73 11.198 -11.847 2.748 1.00 0.00 O ATOM 1044 CB ARG A 73 8.284 -13.188 3.387 1.00 0.00 C ATOM 1045 CG ARG A 73 8.901 -13.908 4.570 1.00 0.00 C ATOM 1046 CD ARG A 73 10.386 -14.157 4.357 1.00 0.00 C ATOM 1047 NE ARG A 73 10.761 -15.534 4.666 1.00 0.00 N ATOM 1048 CZ ARG A 73 11.873 -16.112 4.221 1.00 0.00 C ATOM 1049 NH1 ARG A 73 12.712 -15.434 3.450 1.00 0.00 N ATOM 1050 NH2 ARG A 73 12.145 -17.369 4.546 1.00 0.00 N ATOM 0 H ARG A 73 6.897 -11.374 2.478 1.00 0.00 H new ATOM 0 HA ARG A 73 9.113 -11.357 4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.205 -13.131 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.456 -13.776 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.756 -13.316 5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.390 -14.858 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.646 -13.934 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.961 -13.476 4.984 1.00 0.00 H new ATOM 0 HE ARG A 73 10.135 -16.083 5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.505 -14.468 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.564 -15.879 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.501 -17.894 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.998 -17.811 4.204 1.00 0.00 H new ATOM 1064 N GLN A 74 9.810 -11.833 0.972 1.00 0.00 N ATOM 1065 CA GLN A 74 10.872 -11.844 -0.024 1.00 0.00 C ATOM 1066 C GLN A 74 11.475 -10.453 -0.173 1.00 0.00 C ATOM 1067 O GLN A 74 12.634 -10.304 -0.559 1.00 0.00 O ATOM 1068 CB GLN A 74 10.315 -12.324 -1.366 1.00 0.00 C ATOM 1069 CG GLN A 74 9.274 -13.425 -1.233 1.00 0.00 C ATOM 1070 CD GLN A 74 9.298 -14.396 -2.397 1.00 0.00 C ATOM 1071 OE1 GLN A 74 9.148 -14.000 -3.552 1.00 0.00 O ATOM 1072 NE2 GLN A 74 9.486 -15.675 -2.095 1.00 0.00 N ATOM 0 H GLN A 74 8.869 -11.830 0.578 1.00 0.00 H new ATOM 0 HA GLN A 74 11.656 -12.527 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.872 -11.477 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.138 -12.685 -1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.445 -13.971 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.283 -12.976 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.606 -15.957 -1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.511 -16.376 -2.836 1.00 0.00 H new ATOM 1081 N LEU A 75 10.679 -9.440 0.154 1.00 0.00 N ATOM 1082 CA LEU A 75 11.117 -8.056 0.097 1.00 0.00 C ATOM 1083 C LEU A 75 12.190 -7.787 1.148 1.00 0.00 C ATOM 1084 O LEU A 75 11.987 -7.003 2.074 1.00 0.00 O ATOM 1085 CB LEU A 75 9.916 -7.151 0.331 1.00 0.00 C ATOM 1086 CG LEU A 75 9.766 -5.996 -0.624 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.628 -5.118 -0.154 1.00 0.00 C ATOM 1088 CD2 LEU A 75 11.058 -5.211 -0.746 1.00 0.00 C ATOM 0 H LEU A 75 9.715 -9.558 0.465 1.00 0.00 H new ATOM 0 HA LEU A 75 11.548 -7.854 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.012 -7.759 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.977 -6.754 1.344 1.00 0.00 H new ATOM 0 HG LEU A 75 9.537 -6.377 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.510 -4.278 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.706 -5.699 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.847 -4.743 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.917 -4.384 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.339 -4.818 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.848 -5.865 -1.115 1.00 0.00 H new ATOM 1100 N ARG A 76 13.321 -8.466 1.018 1.00 0.00 N ATOM 1101 CA ARG A 76 14.415 -8.317 1.966 1.00 0.00 C ATOM 1102 C ARG A 76 14.858 -6.861 2.065 1.00 0.00 C ATOM 1103 O ARG A 76 14.587 -6.057 1.173 1.00 0.00 O ATOM 1104 CB ARG A 76 15.587 -9.206 1.552 1.00 0.00 C ATOM 1105 CG ARG A 76 15.198 -10.663 1.339 1.00 0.00 C ATOM 1106 CD ARG A 76 15.368 -11.474 2.613 1.00 0.00 C ATOM 1107 NE ARG A 76 16.007 -12.761 2.359 1.00 0.00 N ATOM 1108 CZ ARG A 76 15.394 -13.786 1.777 1.00 0.00 C ATOM 1109 NH1 ARG A 76 14.130 -13.672 1.393 1.00 0.00 N ATOM 1110 NH2 ARG A 76 16.044 -14.924 1.579 1.00 0.00 N ATOM 0 H ARG A 76 13.505 -9.127 0.263 1.00 0.00 H new ATOM 0 HA ARG A 76 14.064 -8.628 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.021 -8.816 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.361 -9.153 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.162 -10.720 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.812 -11.093 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.965 -10.907 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.393 -11.637 3.072 1.00 0.00 H new ATOM 0 HE ARG A 76 16.979 -12.880 2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.628 -12.797 1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.660 -14.459 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.016 -15.014 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.572 -15.710 1.132 1.00 0.00 H new ATOM 1124 N ARG A 77 15.517 -6.521 3.170 1.00 0.00 N ATOM 1125 CA ARG A 77 15.977 -5.159 3.401 1.00 0.00 C ATOM 1126 C ARG A 77 16.731 -4.619 2.188 1.00 0.00 C ATOM 1127 O ARG A 77 17.368 -5.374 1.452 1.00 0.00 O ATOM 1128 CB ARG A 77 16.871 -5.111 4.642 1.00 0.00 C ATOM 1129 CG ARG A 77 17.556 -3.773 4.853 1.00 0.00 C ATOM 1130 CD ARG A 77 18.946 -3.762 4.241 1.00 0.00 C ATOM 1131 NE ARG A 77 19.575 -2.447 4.333 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.660 -2.102 3.650 1.00 0.00 C ATOM 1133 NH1 ARG A 77 21.233 -2.969 2.827 1.00 0.00 N ATOM 1134 NH2 ARG A 77 21.174 -0.887 3.789 1.00 0.00 N ATOM 0 H ARG A 77 15.744 -7.174 3.920 1.00 0.00 H new ATOM 0 HA ARG A 77 15.103 -4.528 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.269 -5.343 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.631 -5.889 4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 77 16.954 -2.980 4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.624 -3.561 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.570 -4.499 4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.884 -4.061 3.195 1.00 0.00 H new ATOM 0 HE ARG A 77 19.158 -1.756 4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.840 -3.904 2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 77 22.066 -2.701 2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 77 20.736 -0.217 4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.008 -0.623 3.264 1.00 0.00 H new ATOM 1148 N GLY A 78 16.657 -3.306 1.990 1.00 0.00 N ATOM 1149 CA GLY A 78 17.333 -2.684 0.867 1.00 0.00 C ATOM 1150 C GLY A 78 16.469 -2.640 -0.377 1.00 0.00 C ATOM 1151 O GLY A 78 16.963 -2.813 -1.491 1.00 0.00 O ATOM 0 H GLY A 78 16.140 -2.662 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.625 -1.670 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.250 -3.232 0.650 1.00 0.00 H new ATOM 1155 N ASP A 79 15.173 -2.408 -0.187 1.00 0.00 N ATOM 1156 CA ASP A 79 14.234 -2.352 -1.301 1.00 0.00 C ATOM 1157 C ASP A 79 13.276 -1.173 -1.151 1.00 0.00 C ATOM 1158 O ASP A 79 12.932 -0.778 -0.038 1.00 0.00 O ATOM 1159 CB ASP A 79 13.443 -3.660 -1.384 1.00 0.00 C ATOM 1160 CG ASP A 79 14.285 -4.815 -1.889 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.525 -4.747 -1.760 1.00 0.00 O ATOM 1162 OD2 ASP A 79 13.703 -5.790 -2.410 1.00 0.00 O ATOM 0 H ASP A 79 14.750 -2.256 0.729 1.00 0.00 H new ATOM 0 HA ASP A 79 14.803 -2.215 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.048 -3.906 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.587 -3.522 -2.045 1.00 0.00 H new ATOM 1167 N THR A 80 12.848 -0.615 -2.281 1.00 0.00 N ATOM 1168 CA THR A 80 11.932 0.520 -2.275 1.00 0.00 C ATOM 1169 C THR A 80 10.578 0.132 -2.862 1.00 0.00 C ATOM 1170 O THR A 80 10.506 -0.528 -3.898 1.00 0.00 O ATOM 1171 CB THR A 80 12.526 1.687 -3.064 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.890 1.875 -2.728 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.809 2.998 -2.828 1.00 0.00 C ATOM 0 H THR A 80 13.121 -0.931 -3.211 1.00 0.00 H new ATOM 0 HA THR A 80 11.784 0.828 -1.240 1.00 0.00 H new ATOM 0 HB THR A 80 12.411 1.415 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.967 2.586 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.282 3.783 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.765 2.900 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.863 3.257 -1.771 1.00 0.00 H new ATOM 1181 N LEU A 81 9.504 0.548 -2.193 1.00 0.00 N ATOM 1182 CA LEU A 81 8.155 0.226 -2.638 1.00 0.00 C ATOM 1183 C LEU A 81 7.261 1.462 -2.599 1.00 0.00 C ATOM 1184 O LEU A 81 7.594 2.456 -1.960 1.00 0.00 O ATOM 1185 CB LEU A 81 7.549 -0.894 -1.777 1.00 0.00 C ATOM 1186 CG LEU A 81 8.280 -1.170 -0.457 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.441 -2.045 0.468 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.631 -1.807 -0.731 1.00 0.00 C ATOM 0 H LEU A 81 9.545 1.108 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 81 8.217 -0.124 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.513 -0.639 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.532 -1.813 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 81 8.440 -0.219 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.987 -2.222 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.501 -1.541 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.235 -2.998 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.141 -1.999 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.489 -2.747 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.234 -1.133 -1.339 1.00 0.00 H new ATOM 1200 N THR A 82 6.162 1.415 -3.343 1.00 0.00 N ATOM 1201 CA THR A 82 5.221 2.531 -3.410 1.00 0.00 C ATOM 1202 C THR A 82 3.824 2.071 -3.000 1.00 0.00 C ATOM 1203 O THR A 82 3.325 1.082 -3.524 1.00 0.00 O ATOM 1204 CB THR A 82 5.185 3.078 -4.836 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.340 2.028 -5.777 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.263 4.096 -5.106 1.00 0.00 C ATOM 0 H THR A 82 5.898 0.611 -3.913 1.00 0.00 H new ATOM 0 HA THR A 82 5.547 3.313 -2.725 1.00 0.00 H new ATOM 0 HB THR A 82 4.214 3.562 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.643 2.098 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.184 4.446 -6.135 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.145 4.940 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.241 3.640 -4.952 1.00 0.00 H new ATOM 1214 N ILE A 83 3.184 2.778 -2.073 1.00 0.00 N ATOM 1215 CA ILE A 83 1.860 2.352 -1.613 1.00 0.00 C ATOM 1216 C ILE A 83 0.811 3.491 -1.639 1.00 0.00 C ATOM 1217 O ILE A 83 0.719 4.199 -2.642 1.00 0.00 O ATOM 1218 CB ILE A 83 1.970 1.666 -0.224 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.754 0.775 0.090 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.239 2.701 0.856 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.720 0.275 1.520 1.00 0.00 C ATOM 0 H ILE A 83 3.545 3.625 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 83 1.485 1.615 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 83 2.823 0.987 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.158 1.336 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.757 -0.081 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.314 2.206 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.174 3.218 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.423 3.423 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.164 -0.346 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.615 -0.314 1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.685 1.125 2.202 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.061 3.605 -0.618 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.092 4.631 -0.641 1.00 0.00 C ATOM 1235 C GLY A 84 -0.512 5.996 -0.917 1.00 0.00 C ATOM 1236 O GLY A 84 -1.009 6.742 -1.761 1.00 0.00 O ATOM 0 H GLY A 84 -0.065 3.009 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.831 4.388 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.615 4.644 0.315 1.00 0.00 H new ATOM 1240 N GLU A 85 0.588 6.287 -0.240 1.00 0.00 N ATOM 1241 CA GLU A 85 1.353 7.502 -0.494 1.00 0.00 C ATOM 1242 C GLU A 85 2.500 7.166 -1.436 1.00 0.00 C ATOM 1243 O GLU A 85 3.581 7.748 -1.349 1.00 0.00 O ATOM 1244 CB GLU A 85 1.920 8.100 0.804 1.00 0.00 C ATOM 1245 CG GLU A 85 2.008 7.125 1.971 1.00 0.00 C ATOM 1246 CD GLU A 85 0.684 6.964 2.693 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -0.105 6.082 2.295 1.00 0.00 O ATOM 1248 OE2 GLU A 85 0.437 7.721 3.654 1.00 0.00 O ATOM 0 H GLU A 85 0.975 5.695 0.495 1.00 0.00 H new ATOM 0 HA GLU A 85 0.688 8.242 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.916 8.493 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.298 8.945 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.339 6.153 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.763 7.474 2.676 1.00 0.00 H new ATOM 1255 N GLU A 86 2.268 6.150 -2.275 1.00 0.00 N ATOM 1256 CA GLU A 86 3.263 5.627 -3.199 1.00 0.00 C ATOM 1257 C GLU A 86 4.667 5.689 -2.613 1.00 0.00 C ATOM 1258 O GLU A 86 5.640 5.925 -3.323 1.00 0.00 O ATOM 1259 CB GLU A 86 3.189 6.335 -4.542 1.00 0.00 C ATOM 1260 CG GLU A 86 3.669 7.777 -4.515 1.00 0.00 C ATOM 1261 CD GLU A 86 2.715 8.723 -5.219 1.00 0.00 C ATOM 1262 OE1 GLU A 86 2.380 8.463 -6.394 1.00 0.00 O ATOM 1263 OE2 GLU A 86 2.302 9.724 -4.595 1.00 0.00 O ATOM 0 H GLU A 86 1.371 5.667 -2.327 1.00 0.00 H new ATOM 0 HA GLU A 86 3.033 4.575 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.785 5.779 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.158 6.314 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.793 8.095 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.650 7.838 -4.987 1.00 0.00 H new ATOM 1270 N ASN A 87 4.759 5.512 -1.298 1.00 0.00 N ATOM 1271 CA ASN A 87 6.053 5.493 -0.643 1.00 0.00 C ATOM 1272 C ASN A 87 6.110 4.457 0.476 1.00 0.00 C ATOM 1273 O ASN A 87 5.526 4.638 1.542 1.00 0.00 O ATOM 1274 CB ASN A 87 6.406 6.868 -0.088 1.00 0.00 C ATOM 1275 CG ASN A 87 7.510 7.546 -0.876 1.00 0.00 C ATOM 1276 OD1 ASN A 87 7.250 8.255 -1.848 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.752 7.327 -0.461 1.00 0.00 N ATOM 0 H ASN A 87 3.961 5.382 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 87 6.785 5.215 -1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.517 7.499 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.715 6.768 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.537 7.754 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.921 6.732 0.350 1.00 0.00 H new ATOM 1284 N PHE A 88 6.877 3.409 0.229 1.00 0.00 N ATOM 1285 CA PHE A 88 7.123 2.355 1.200 1.00 0.00 C ATOM 1286 C PHE A 88 8.574 1.928 1.098 1.00 0.00 C ATOM 1287 O PHE A 88 9.131 1.838 0.003 1.00 0.00 O ATOM 1288 CB PHE A 88 6.227 1.137 0.935 1.00 0.00 C ATOM 1289 CG PHE A 88 5.088 0.926 1.896 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.706 1.911 2.779 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.407 -0.283 1.916 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.649 1.716 3.648 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.361 -0.492 2.792 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.977 0.512 3.656 1.00 0.00 C ATOM 0 H PHE A 88 7.352 3.264 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 88 6.899 2.739 2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.815 1.228 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.852 0.244 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.240 2.850 2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.699 -1.071 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.350 2.506 4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.844 -1.440 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.153 0.356 4.336 1.00 0.00 H new ATOM 1304 N TRP A 89 9.173 1.638 2.229 1.00 0.00 N ATOM 1305 CA TRP A 89 10.548 1.172 2.260 1.00 0.00 C ATOM 1306 C TRP A 89 10.668 -0.011 3.197 1.00 0.00 C ATOM 1307 O TRP A 89 10.009 -0.053 4.236 1.00 0.00 O ATOM 1308 CB TRP A 89 11.499 2.289 2.690 1.00 0.00 C ATOM 1309 CG TRP A 89 12.898 2.106 2.186 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.775 1.121 2.541 1.00 0.00 C ATOM 1311 CD2 TRP A 89 13.580 2.927 1.232 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.962 1.282 1.866 1.00 0.00 N ATOM 1313 CE2 TRP A 89 14.866 2.384 1.058 1.00 0.00 C ATOM 1314 CE3 TRP A 89 13.227 4.072 0.510 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 15.800 2.946 0.190 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 14.154 4.628 -0.350 1.00 0.00 C ATOM 1317 CH2 TRP A 89 15.428 4.065 -0.504 1.00 0.00 C ATOM 0 H TRP A 89 8.732 1.715 3.145 1.00 0.00 H new ATOM 0 HA TRP A 89 10.829 0.863 1.253 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.113 3.243 2.331 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.517 2.342 3.779 1.00 0.00 H new ATOM 0 HD1 TRP A 89 13.567 0.332 3.248 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.780 0.679 1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 89 12.248 4.513 0.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 16.782 2.514 0.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 13.892 5.512 -0.913 1.00 0.00 H new ATOM 0 HH2 TRP A 89 16.130 4.524 -1.184 1.00 0.00 H new ATOM 1328 N VAL A 90 11.494 -0.980 2.836 1.00 0.00 N ATOM 1329 CA VAL A 90 11.640 -2.153 3.671 1.00 0.00 C ATOM 1330 C VAL A 90 12.671 -1.900 4.748 1.00 0.00 C ATOM 1331 O VAL A 90 13.875 -1.869 4.493 1.00 0.00 O ATOM 1332 CB VAL A 90 12.060 -3.398 2.872 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.158 -4.608 3.788 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.087 -3.660 1.741 1.00 0.00 C ATOM 0 H VAL A 90 12.061 -0.977 1.988 1.00 0.00 H new ATOM 0 HA VAL A 90 10.662 -2.346 4.111 1.00 0.00 H new ATOM 0 HB VAL A 90 13.043 -3.214 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.456 -5.481 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.900 -4.418 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.189 -4.794 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.402 -4.545 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.090 -3.823 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.068 -2.801 1.071 1.00 0.00 H new ATOM 1344 N ASP A 91 12.174 -1.749 5.958 1.00 0.00 N ATOM 1345 CA ASP A 91 13.016 -1.539 7.111 1.00 0.00 C ATOM 1346 C ASP A 91 13.367 -2.892 7.711 1.00 0.00 C ATOM 1347 O ASP A 91 14.532 -3.279 7.760 1.00 0.00 O ATOM 1348 CB ASP A 91 12.285 -0.654 8.120 1.00 0.00 C ATOM 1349 CG ASP A 91 13.220 -0.051 9.149 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.159 -0.753 9.579 1.00 0.00 O ATOM 1351 OD2 ASP A 91 13.015 1.123 9.523 1.00 0.00 O ATOM 0 H ASP A 91 11.176 -1.769 6.167 1.00 0.00 H new ATOM 0 HA ASP A 91 13.939 -1.033 6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.769 0.146 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.522 -1.243 8.629 1.00 0.00 H new ATOM 1356 N ARG A 92 12.326 -3.645 8.052 1.00 0.00 N ATOM 1357 CA ARG A 92 12.473 -5.006 8.553 1.00 0.00 C ATOM 1358 C ARG A 92 13.604 -5.142 9.563 1.00 0.00 C ATOM 1359 O ARG A 92 14.236 -4.163 9.959 1.00 0.00 O ATOM 1360 CB ARG A 92 12.695 -5.962 7.378 1.00 0.00 C ATOM 1361 CG ARG A 92 11.412 -6.344 6.652 1.00 0.00 C ATOM 1362 CD ARG A 92 11.157 -7.840 6.736 1.00 0.00 C ATOM 1363 NE ARG A 92 11.840 -8.573 5.675 1.00 0.00 N ATOM 1364 CZ ARG A 92 12.051 -9.885 5.704 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.630 -10.603 6.736 1.00 0.00 N ATOM 1366 NH2 ARG A 92 12.682 -10.479 4.702 1.00 0.00 N ATOM 0 H ARG A 92 11.358 -3.329 7.989 1.00 0.00 H new ATOM 0 HA ARG A 92 11.552 -5.263 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.380 -5.499 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.179 -6.868 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.571 -5.804 7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.479 -6.042 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.491 -8.211 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.085 -8.029 6.675 1.00 0.00 H new ATOM 0 HE ARG A 92 12.174 -8.049 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.144 -10.149 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.793 -11.610 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.007 -9.929 3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.843 -11.486 4.726 1.00 0.00 H new ATOM 1499 N LEU A 103 7.797 -7.423 8.819 1.00 0.00 N ATOM 1500 CA LEU A 103 7.814 -6.339 7.850 1.00 0.00 C ATOM 1501 C LEU A 103 7.785 -4.972 8.528 1.00 0.00 C ATOM 1502 O LEU A 103 6.717 -4.430 8.786 1.00 0.00 O ATOM 1503 CB LEU A 103 6.609 -6.477 6.912 1.00 0.00 C ATOM 1504 CG LEU A 103 6.942 -6.754 5.442 1.00 0.00 C ATOM 1505 CD1 LEU A 103 7.302 -5.461 4.724 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.068 -7.769 5.325 1.00 0.00 C ATOM 0 HA LEU A 103 8.742 -6.407 7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.975 -7.284 7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.022 -5.560 6.966 1.00 0.00 H new ATOM 0 HG LEU A 103 6.058 -7.176 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.536 -5.677 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.459 -4.771 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.169 -5.008 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.287 -7.950 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.959 -7.383 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.766 -8.703 5.799 1.00 0.00 H new ATOM 1518 N TRP A 104 8.961 -4.394 8.753 1.00 0.00 N ATOM 1519 CA TRP A 104 9.071 -3.064 9.343 1.00 0.00 C ATOM 1520 C TRP A 104 9.288 -2.045 8.226 1.00 0.00 C ATOM 1521 O TRP A 104 10.112 -2.260 7.336 1.00 0.00 O ATOM 1522 CB TRP A 104 10.211 -3.038 10.372 1.00 0.00 C ATOM 1523 CG TRP A 104 10.616 -1.669 10.831 1.00 0.00 C ATOM 1524 CD1 TRP A 104 9.870 -0.526 10.796 1.00 0.00 C ATOM 1525 CD2 TRP A 104 11.872 -1.307 11.419 1.00 0.00 C ATOM 1526 NE1 TRP A 104 10.587 0.524 11.316 1.00 0.00 N ATOM 1527 CE2 TRP A 104 11.819 0.069 11.708 1.00 0.00 C ATOM 1528 CE3 TRP A 104 13.038 -2.014 11.726 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 12.886 0.752 12.286 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 14.098 -1.336 12.301 1.00 0.00 C ATOM 1531 CH2 TRP A 104 14.015 0.034 12.575 1.00 0.00 C ATOM 0 H TRP A 104 9.857 -4.829 8.534 1.00 0.00 H new ATOM 0 HA TRP A 104 8.153 -2.806 9.871 1.00 0.00 H new ATOM 0 HB2 TRP A 104 9.910 -3.622 11.241 1.00 0.00 H new ATOM 0 HB3 TRP A 104 11.081 -3.533 9.941 1.00 0.00 H new ATOM 0 HD1 TRP A 104 8.862 -0.457 10.415 1.00 0.00 H new ATOM 0 HE1 TRP A 104 10.256 1.486 11.397 1.00 0.00 H new ATOM 0 HE3 TRP A 104 13.110 -3.071 11.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 12.825 1.809 12.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 15.004 -1.872 12.542 1.00 0.00 H new ATOM 0 HH2 TRP A 104 14.860 0.535 13.024 1.00 0.00 H new ATOM 1542 N LEU A 105 8.478 -0.990 8.217 1.00 0.00 N ATOM 1543 CA LEU A 105 8.472 -0.045 7.108 1.00 0.00 C ATOM 1544 C LEU A 105 9.188 1.265 7.376 1.00 0.00 C ATOM 1545 O LEU A 105 9.292 1.734 8.509 1.00 0.00 O ATOM 1546 CB LEU A 105 7.036 0.315 6.746 1.00 0.00 C ATOM 1547 CG LEU A 105 6.144 -0.837 6.316 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.729 -1.664 7.514 1.00 0.00 C ATOM 1549 CD2 LEU A 105 4.934 -0.292 5.614 1.00 0.00 C ATOM 0 H LEU A 105 7.819 -0.770 8.964 1.00 0.00 H new ATOM 0 HA LEU A 105 9.004 -0.560 6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.577 0.801 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.059 1.049 5.941 1.00 0.00 H new ATOM 0 HG LEU A 105 6.698 -1.483 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.091 -2.484 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.616 -2.067 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.181 -1.037 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.291 -1.116 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.384 0.362 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.247 0.274 4.737 1.00 0.00 H new ATOM 1561 N GLY A 106 9.518 1.914 6.267 1.00 0.00 N ATOM 1562 CA GLY A 106 10.055 3.254 6.270 1.00 0.00 C ATOM 1563 C GLY A 106 9.436 4.059 5.135 1.00 0.00 C ATOM 1564 O GLY A 106 9.757 3.833 3.969 1.00 0.00 O ATOM 0 H GLY A 106 9.416 1.514 5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.848 3.736 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.139 3.222 6.157 1.00 0.00 H new ATOM 1568 N ARG A 107 8.495 4.946 5.457 1.00 0.00 N ATOM 1569 CA ARG A 107 7.793 5.716 4.427 1.00 0.00 C ATOM 1570 C ARG A 107 8.410 7.097 4.257 1.00 0.00 C ATOM 1571 O ARG A 107 8.802 7.737 5.233 1.00 0.00 O ATOM 1572 CB ARG A 107 6.311 5.890 4.788 1.00 0.00 C ATOM 1573 CG ARG A 107 5.477 4.641 4.604 1.00 0.00 C ATOM 1574 CD ARG A 107 4.162 4.950 3.896 1.00 0.00 C ATOM 1575 NE ARG A 107 3.098 5.271 4.846 1.00 0.00 N ATOM 1576 CZ ARG A 107 1.805 5.009 4.645 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.397 4.420 3.527 1.00 0.00 N ATOM 1578 NH2 ARG A 107 0.915 5.337 5.571 1.00 0.00 N ATOM 0 H ARG A 107 8.202 5.149 6.413 1.00 0.00 H new ATOM 0 HA ARG A 107 7.884 5.158 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.237 6.213 5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.891 6.688 4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.040 3.908 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.272 4.192 5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.305 5.787 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.864 4.093 3.292 1.00 0.00 H new ATOM 0 HE ARG A 107 3.361 5.725 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.075 4.162 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.406 4.225 3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.219 5.788 6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.074 5.138 5.421 1.00 0.00 H new ATOM 1592 N GLY A 108 8.459 7.565 3.018 1.00 0.00 N ATOM 1593 CA GLY A 108 8.971 8.894 2.749 1.00 0.00 C ATOM 1594 C GLY A 108 7.900 9.957 2.900 1.00 0.00 C ATOM 1595 O GLY A 108 8.205 11.143 3.030 1.00 0.00 O ATOM 0 H GLY A 108 8.153 7.048 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.794 9.110 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.376 8.929 1.738 1.00 0.00 H new