USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 254 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 17 GLN : amide:sc= 0.153 K(o=0.15,f=-4.3!) USER MOD Single : A 19 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc=-0.00327 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0958 (180deg=-0.454) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 49 MET CE :methyl -166:sc= -0.0752 (180deg=-0.404) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 162:sc= -0.108 (180deg=-0.608) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -29.582 0.437 5.131 1.00 20.00 N ATOM 365 CA GLU A 16 -30.172 0.138 3.835 1.00 20.00 C ATOM 366 C GLU A 16 -29.213 -0.709 3.009 1.00 20.00 C ATOM 367 O GLU A 16 -29.608 -1.693 2.380 1.00 20.00 O ATOM 368 CB GLU A 16 -30.502 1.429 3.084 1.00 20.00 C ATOM 369 CG GLU A 16 -31.496 2.328 3.802 1.00 20.00 C ATOM 370 CD GLU A 16 -31.891 3.527 2.967 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.802 3.393 2.124 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.283 4.605 3.140 1.00 20.00 O ATOM 0 HA GLU A 16 -31.096 -0.418 3.996 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -29.580 1.986 2.917 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.902 1.174 2.103 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.387 1.753 4.053 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.062 2.669 4.742 1.00 20.00 H new ATOM 379 N GLN A 17 -27.948 -0.323 3.030 1.00 20.00 N ATOM 380 CA GLN A 17 -26.908 -1.041 2.313 1.00 20.00 C ATOM 381 C GLN A 17 -26.676 -2.405 2.949 1.00 20.00 C ATOM 382 O GLN A 17 -26.508 -3.407 2.255 1.00 20.00 O ATOM 383 CB GLN A 17 -25.595 -0.245 2.312 1.00 20.00 C ATOM 384 CG GLN A 17 -25.628 1.044 1.494 1.00 20.00 C ATOM 385 CD GLN A 17 -26.586 2.090 2.044 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.841 2.151 3.247 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.118 2.926 1.170 1.00 20.00 N ATOM 0 H GLN A 17 -27.614 0.493 3.542 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.238 -1.173 1.283 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.335 0.001 3.342 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.800 -0.883 1.926 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.624 1.467 1.457 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.912 0.807 0.469 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.884 2.846 0.180 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.763 3.651 1.485 1.00 20.00 H new ATOM 396 N GLU A 18 -26.694 -2.436 4.275 1.00 20.00 N ATOM 397 CA GLU A 18 -26.439 -3.662 5.015 1.00 20.00 C ATOM 398 C GLU A 18 -27.577 -4.660 4.850 1.00 20.00 C ATOM 399 O GLU A 18 -27.367 -5.861 4.965 1.00 20.00 O ATOM 400 CB GLU A 18 -26.197 -3.361 6.495 1.00 20.00 C ATOM 401 CG GLU A 18 -24.914 -2.586 6.744 1.00 20.00 C ATOM 402 CD GLU A 18 -23.704 -3.258 6.124 1.00 20.00 C ATOM 403 OE1 GLU A 18 -23.144 -4.180 6.755 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.311 -2.871 5.002 1.00 20.00 O ATOM 0 H GLU A 18 -26.883 -1.623 4.861 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.538 -4.115 4.602 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.040 -2.792 6.886 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.161 -4.299 7.049 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.016 -1.580 6.337 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -24.758 -2.482 7.818 1.00 20.00 H new ATOM 411 N ASN A 19 -28.778 -4.168 4.571 1.00 20.00 N ATOM 412 CA ASN A 19 -29.908 -5.055 4.293 1.00 20.00 C ATOM 413 C ASN A 19 -29.665 -5.827 3.001 1.00 20.00 C ATOM 414 O ASN A 19 -29.979 -7.014 2.909 1.00 20.00 O ATOM 415 CB ASN A 19 -31.232 -4.286 4.200 1.00 20.00 C ATOM 416 CG ASN A 19 -31.921 -4.108 5.546 1.00 20.00 C ATOM 417 OD1 ASN A 19 -33.149 -4.123 5.629 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.147 -3.921 6.603 1.00 20.00 N ATOM 0 H ASN A 19 -28.996 -3.172 4.531 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.988 -5.753 5.127 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.045 -3.305 3.763 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.904 -4.813 3.523 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.565 -3.783 7.523 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.132 -3.915 6.497 1.00 20.00 H new ATOM 425 N SER A 20 -29.086 -5.153 2.014 1.00 20.00 N ATOM 426 CA SER A 20 -28.768 -5.789 0.743 1.00 20.00 C ATOM 427 C SER A 20 -27.481 -6.606 0.864 1.00 20.00 C ATOM 428 O SER A 20 -27.331 -7.654 0.232 1.00 20.00 O ATOM 429 CB SER A 20 -28.640 -4.730 -0.357 1.00 20.00 C ATOM 430 OG SER A 20 -29.824 -3.949 -0.442 1.00 20.00 O ATOM 0 H SER A 20 -28.828 -4.168 2.070 1.00 20.00 H new ATOM 0 HA SER A 20 -29.577 -6.468 0.475 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.787 -4.084 -0.150 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.448 -5.214 -1.314 1.00 20.00 H new ATOM 0 HG SER A 20 -29.723 -3.277 -1.148 1.00 20.00 H new ATOM 436 N TYR A 21 -26.560 -6.128 1.692 1.00 20.00 N ATOM 437 CA TYR A 21 -25.325 -6.851 1.968 1.00 20.00 C ATOM 438 C TYR A 21 -25.639 -8.141 2.718 1.00 20.00 C ATOM 439 O TYR A 21 -24.998 -9.165 2.510 1.00 20.00 O ATOM 440 CB TYR A 21 -24.375 -5.976 2.793 1.00 20.00 C ATOM 441 CG TYR A 21 -22.991 -6.564 2.983 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.998 -6.357 2.036 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.676 -7.312 4.111 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.732 -6.880 2.204 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.411 -7.840 4.284 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.443 -7.621 3.329 1.00 20.00 C ATOM 447 OH TYR A 21 -19.180 -8.142 3.498 1.00 20.00 O ATOM 0 H TYR A 21 -26.646 -5.239 2.186 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.839 -7.099 1.025 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.281 -5.005 2.307 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.820 -5.801 3.772 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.220 -5.777 1.153 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.431 -7.483 4.864 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.971 -6.709 1.457 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.182 -8.422 5.164 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.141 -8.637 4.343 1.00 20.00 H new ATOM 457 N ASN A 22 -26.652 -8.072 3.571 1.00 20.00 N ATOM 458 CA ASN A 22 -27.084 -9.209 4.378 1.00 20.00 C ATOM 459 C ASN A 22 -27.493 -10.391 3.505 1.00 20.00 C ATOM 460 O ASN A 22 -27.230 -11.546 3.846 1.00 20.00 O ATOM 461 CB ASN A 22 -28.257 -8.798 5.270 1.00 20.00 C ATOM 462 CG ASN A 22 -28.740 -9.928 6.153 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.599 -10.715 5.754 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.204 -10.006 7.360 1.00 20.00 N ATOM 0 H ASN A 22 -27.199 -7.225 3.724 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.242 -9.520 4.996 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.956 -7.957 5.895 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.081 -8.453 4.645 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.500 -10.741 8.003 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.495 -9.332 7.648 1.00 20.00 H new ATOM 471 N GLU A 23 -28.130 -10.096 2.378 1.00 20.00 N ATOM 472 CA GLU A 23 -28.563 -11.130 1.444 1.00 20.00 C ATOM 473 C GLU A 23 -27.354 -11.853 0.862 1.00 20.00 C ATOM 474 O GLU A 23 -27.352 -13.077 0.718 1.00 20.00 O ATOM 475 CB GLU A 23 -29.405 -10.515 0.323 1.00 20.00 C ATOM 476 CG GLU A 23 -30.714 -9.902 0.799 1.00 20.00 C ATOM 477 CD GLU A 23 -31.727 -10.944 1.234 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.484 -11.641 2.240 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.775 -11.076 0.566 1.00 20.00 O ATOM 0 H GLU A 23 -28.359 -9.145 2.087 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.176 -11.852 1.982 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.817 -9.747 -0.180 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.624 -11.284 -0.417 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.513 -9.228 1.632 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.141 -9.300 -0.003 1.00 20.00 H new ATOM 486 N TRP A 24 -26.320 -11.084 0.548 1.00 20.00 N ATOM 487 CA TRP A 24 -25.071 -11.639 0.047 1.00 20.00 C ATOM 488 C TRP A 24 -24.332 -12.360 1.174 1.00 20.00 C ATOM 489 O TRP A 24 -23.696 -13.394 0.962 1.00 20.00 O ATOM 490 CB TRP A 24 -24.201 -10.518 -0.540 1.00 20.00 C ATOM 491 CG TRP A 24 -22.888 -10.989 -1.085 1.00 20.00 C ATOM 492 CD1 TRP A 24 -22.676 -11.617 -2.275 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.604 -10.862 -0.462 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.341 -11.896 -2.431 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.661 -11.443 -1.331 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.159 -10.316 0.746 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.302 -11.492 -1.030 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.810 -10.366 1.042 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.896 -10.950 0.157 1.00 20.00 C ATOM 0 H TRP A 24 -26.323 -10.068 0.632 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.287 -12.360 -0.741 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.756 -10.020 -1.336 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -24.016 -9.773 0.234 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.446 -11.860 -2.992 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.923 -12.364 -3.235 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.857 -9.864 1.435 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.594 -11.942 -1.710 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.455 -9.947 1.972 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.848 -10.973 0.418 1.00 20.00 H new ATOM 510 N LEU A 25 -24.460 -11.818 2.377 1.00 20.00 N ATOM 511 CA LEU A 25 -23.802 -12.360 3.562 1.00 20.00 C ATOM 512 C LEU A 25 -24.424 -13.694 3.975 1.00 20.00 C ATOM 513 O LEU A 25 -23.877 -14.419 4.809 1.00 20.00 O ATOM 514 CB LEU A 25 -23.911 -11.353 4.709 1.00 20.00 C ATOM 515 CG LEU A 25 -23.046 -11.647 5.935 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.570 -11.536 5.587 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.402 -10.702 7.071 1.00 20.00 C ATOM 0 H LEU A 25 -25.024 -10.988 2.561 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.752 -12.537 3.327 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.646 -10.367 4.328 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.953 -11.303 5.026 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.243 -12.668 6.261 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.970 -11.749 6.472 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.326 -12.253 4.803 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.354 -10.527 5.236 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.778 -10.923 7.937 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.232 -9.673 6.755 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.451 -10.832 7.337 1.00 20.00 H new ATOM 529 N ARG A 26 -25.566 -14.016 3.381 1.00 20.00 N ATOM 530 CA ARG A 26 -26.257 -15.266 3.670 1.00 20.00 C ATOM 531 C ARG A 26 -25.448 -16.461 3.163 1.00 20.00 C ATOM 532 O ARG A 26 -25.661 -17.596 3.583 1.00 20.00 O ATOM 533 CB ARG A 26 -27.651 -15.263 3.035 1.00 20.00 C ATOM 534 CG ARG A 26 -28.514 -16.448 3.438 1.00 20.00 C ATOM 535 CD ARG A 26 -29.880 -16.396 2.776 1.00 20.00 C ATOM 536 NE ARG A 26 -30.720 -17.521 3.173 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.050 -17.510 3.125 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.695 -16.438 2.686 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.733 -18.577 3.515 1.00 20.00 N ATOM 0 H ARG A 26 -26.035 -13.426 2.693 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.364 -15.356 4.751 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.164 -14.342 3.312 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.545 -15.255 1.950 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.011 -17.375 3.163 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.634 -16.459 4.521 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.376 -15.462 3.040 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.759 -16.398 1.693 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.260 -18.368 3.508 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.172 -15.617 2.383 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.714 -16.435 2.651 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.239 -19.404 3.851 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.752 -18.571 3.479 1.00 20.00 H new ATOM 553 N ALA A 27 -24.513 -16.198 2.263 1.00 20.00 N ATOM 554 CA ALA A 27 -23.636 -17.240 1.758 1.00 20.00 C ATOM 555 C ALA A 27 -22.547 -17.563 2.774 1.00 20.00 C ATOM 556 O ALA A 27 -21.992 -18.663 2.786 1.00 20.00 O ATOM 557 CB ALA A 27 -23.018 -16.813 0.440 1.00 20.00 C ATOM 0 H ALA A 27 -24.343 -15.273 1.868 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.228 -18.140 1.592 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -22.363 -17.603 0.072 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -23.807 -16.628 -0.289 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -22.439 -15.901 0.588 1.00 20.00 H new ATOM 563 N LYS A 28 -22.270 -16.603 3.645 1.00 20.00 N ATOM 564 CA LYS A 28 -21.205 -16.740 4.628 1.00 20.00 C ATOM 565 C LYS A 28 -21.635 -17.650 5.779 1.00 20.00 C ATOM 566 O LYS A 28 -20.801 -18.263 6.442 1.00 20.00 O ATOM 567 CB LYS A 28 -20.790 -15.361 5.157 1.00 20.00 C ATOM 568 CG LYS A 28 -19.728 -15.416 6.242 1.00 20.00 C ATOM 569 CD LYS A 28 -19.319 -14.027 6.695 1.00 20.00 C ATOM 570 CE LYS A 28 -18.384 -14.084 7.895 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.031 -14.733 9.067 1.00 20.00 N ATOM 0 H LYS A 28 -22.771 -15.716 3.691 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.346 -17.200 4.139 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.418 -14.761 4.327 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.671 -14.852 5.549 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.107 -15.980 7.094 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.854 -15.950 5.869 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.827 -13.505 5.874 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.208 -13.451 6.952 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.481 -14.633 7.627 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.074 -13.074 8.163 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -18.517 -14.477 9.934 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -20.017 -14.411 9.142 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.012 -15.766 8.946 1.00 20.00 H new ATOM 585 N VAL A 29 -22.936 -17.759 6.004 1.00 20.00 N ATOM 586 CA VAL A 29 -23.443 -18.622 7.061 1.00 20.00 C ATOM 587 C VAL A 29 -23.471 -20.079 6.589 1.00 20.00 C ATOM 588 O VAL A 29 -23.680 -21.004 7.376 1.00 20.00 O ATOM 589 CB VAL A 29 -24.854 -18.186 7.528 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.909 -18.506 6.480 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.206 -18.822 8.866 1.00 20.00 C ATOM 0 H VAL A 29 -23.654 -17.266 5.474 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.768 -18.533 7.912 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.838 -17.104 7.661 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.887 -18.187 6.839 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.674 -17.981 5.554 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.923 -19.580 6.294 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.201 -18.500 9.171 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.190 -19.907 8.768 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.479 -18.515 9.617 1.00 20.00 H new ATOM 772 N HIS A 42 -15.832 -13.634 29.744 1.00 20.00 N ATOM 773 CA HIS A 42 -14.636 -12.854 30.033 1.00 20.00 C ATOM 774 C HIS A 42 -14.549 -12.483 31.509 1.00 20.00 C ATOM 775 O HIS A 42 -13.462 -12.508 32.089 1.00 20.00 O ATOM 776 CB HIS A 42 -14.584 -11.593 29.162 1.00 20.00 C ATOM 777 CG HIS A 42 -14.603 -11.884 27.692 1.00 20.00 C ATOM 778 ND1 HIS A 42 -15.599 -11.442 26.849 1.00 20.00 N ATOM 779 CD2 HIS A 42 -13.739 -12.577 26.915 1.00 20.00 C ATOM 780 CE1 HIS A 42 -15.346 -11.850 25.621 1.00 20.00 C ATOM 781 NE2 HIS A 42 -14.224 -12.538 25.635 1.00 20.00 N ATOM 0 HA HIS A 42 -13.775 -13.479 29.795 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -15.432 -10.954 29.409 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -13.681 -11.031 29.402 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -12.835 -13.069 27.243 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -15.956 -11.653 24.752 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -13.786 -12.972 24.823 1.00 20.00 H new ATOM 790 N ASP A 43 -15.688 -12.163 32.118 1.00 20.00 N ATOM 791 CA ASP A 43 -15.713 -11.763 33.527 1.00 20.00 C ATOM 792 C ASP A 43 -15.231 -12.898 34.421 1.00 20.00 C ATOM 793 O ASP A 43 -14.383 -12.696 35.286 1.00 20.00 O ATOM 794 CB ASP A 43 -17.117 -11.319 33.955 1.00 20.00 C ATOM 795 CG ASP A 43 -17.194 -10.964 35.431 1.00 20.00 C ATOM 796 OD1 ASP A 43 -16.955 -9.788 35.779 1.00 20.00 O ATOM 797 OD2 ASP A 43 -17.501 -11.854 36.252 1.00 20.00 O ATOM 0 H ASP A 43 -16.601 -12.172 31.664 1.00 20.00 H new ATOM 0 HA ASP A 43 -15.036 -10.916 33.638 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -17.418 -10.456 33.361 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -17.828 -12.117 33.740 1.00 20.00 H new ATOM 802 N GLU A 44 -15.757 -14.095 34.181 1.00 20.00 N ATOM 803 CA GLU A 44 -15.405 -15.271 34.972 1.00 20.00 C ATOM 804 C GLU A 44 -13.894 -15.506 34.956 1.00 20.00 C ATOM 805 O GLU A 44 -13.278 -15.719 35.999 1.00 20.00 O ATOM 806 CB GLU A 44 -16.147 -16.498 34.430 1.00 20.00 C ATOM 807 CG GLU A 44 -15.872 -17.785 35.192 1.00 20.00 C ATOM 808 CD GLU A 44 -16.242 -17.699 36.660 1.00 20.00 C ATOM 809 OE1 GLU A 44 -17.428 -17.454 36.969 1.00 20.00 O ATOM 810 OE2 GLU A 44 -15.348 -17.878 37.512 1.00 20.00 O ATOM 0 H GLU A 44 -16.433 -14.277 33.440 1.00 20.00 H new ATOM 0 HA GLU A 44 -15.705 -15.101 36.006 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -17.218 -16.299 34.452 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -15.871 -16.642 33.385 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -16.430 -18.600 34.730 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -14.814 -18.033 35.104 1.00 20.00 H new ATOM 817 N VAL A 45 -13.304 -15.432 33.769 1.00 20.00 N ATOM 818 CA VAL A 45 -11.872 -15.650 33.608 1.00 20.00 C ATOM 819 C VAL A 45 -11.070 -14.525 34.259 1.00 20.00 C ATOM 820 O VAL A 45 -10.081 -14.770 34.953 1.00 20.00 O ATOM 821 CB VAL A 45 -11.493 -15.753 32.115 1.00 20.00 C ATOM 822 CG1 VAL A 45 -9.997 -15.952 31.944 1.00 20.00 C ATOM 823 CG2 VAL A 45 -12.259 -16.882 31.448 1.00 20.00 C ATOM 0 H VAL A 45 -13.797 -15.222 32.901 1.00 20.00 H new ATOM 0 HA VAL A 45 -11.629 -16.591 34.102 1.00 20.00 H new ATOM 0 HB VAL A 45 -11.766 -14.815 31.632 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -9.758 -16.021 30.883 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -9.465 -15.107 32.381 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -9.693 -16.871 32.445 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -11.979 -16.940 30.396 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -12.019 -17.825 31.940 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -13.329 -16.693 31.529 1.00 20.00 H new ATOM 833 N GLU A 46 -11.528 -13.298 34.052 1.00 20.00 N ATOM 834 CA GLU A 46 -10.833 -12.111 34.545 1.00 20.00 C ATOM 835 C GLU A 46 -10.696 -12.134 36.068 1.00 20.00 C ATOM 836 O GLU A 46 -9.656 -11.768 36.613 1.00 20.00 O ATOM 837 CB GLU A 46 -11.580 -10.847 34.105 1.00 20.00 C ATOM 838 CG GLU A 46 -10.873 -9.550 34.462 1.00 20.00 C ATOM 839 CD GLU A 46 -9.504 -9.434 33.826 1.00 20.00 C ATOM 840 OE1 GLU A 46 -9.430 -9.302 32.588 1.00 20.00 O ATOM 841 OE2 GLU A 46 -8.497 -9.452 34.561 1.00 20.00 O ATOM 0 H GLU A 46 -12.387 -13.095 33.541 1.00 20.00 H new ATOM 0 HA GLU A 46 -9.830 -12.108 34.118 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -11.727 -10.882 33.026 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -12.570 -10.846 34.562 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -11.488 -8.707 34.146 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -10.772 -9.483 35.545 1.00 20.00 H new ATOM 848 N ARG A 47 -11.741 -12.579 36.754 1.00 20.00 N ATOM 849 CA ARG A 47 -11.732 -12.597 38.212 1.00 20.00 C ATOM 850 C ARG A 47 -10.821 -13.707 38.730 1.00 20.00 C ATOM 851 O ARG A 47 -10.234 -13.590 39.806 1.00 20.00 O ATOM 852 CB ARG A 47 -13.147 -12.777 38.766 1.00 20.00 C ATOM 853 CG ARG A 47 -14.178 -11.852 38.137 1.00 20.00 C ATOM 854 CD ARG A 47 -13.738 -10.395 38.149 1.00 20.00 C ATOM 855 NE ARG A 47 -14.624 -9.561 37.340 1.00 20.00 N ATOM 856 CZ ARG A 47 -14.351 -8.314 36.967 1.00 20.00 C ATOM 857 NH1 ARG A 47 -13.213 -7.735 37.326 1.00 20.00 N ATOM 858 NH2 ARG A 47 -15.221 -7.654 36.218 1.00 20.00 N ATOM 0 H ARG A 47 -12.599 -12.930 36.329 1.00 20.00 H new ATOM 0 HA ARG A 47 -11.347 -11.637 38.556 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -13.458 -13.810 38.612 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -13.129 -12.607 39.842 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -14.362 -12.164 37.109 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -15.122 -11.947 38.673 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -13.726 -10.026 39.175 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -12.719 -10.319 37.770 1.00 20.00 H new ATOM 0 HE ARG A 47 -15.513 -9.963 37.041 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -12.537 -8.247 37.894 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -13.013 -6.778 37.034 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -16.091 -8.102 35.932 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -15.021 -6.697 35.927 1.00 20.00 H new ATOM 872 N ARG A 48 -10.702 -14.782 37.960 1.00 20.00 N ATOM 873 CA ARG A 48 -9.812 -15.881 38.317 1.00 20.00 C ATOM 874 C ARG A 48 -8.360 -15.464 38.118 1.00 20.00 C ATOM 875 O ARG A 48 -7.500 -15.735 38.958 1.00 20.00 O ATOM 876 CB ARG A 48 -10.120 -17.124 37.475 1.00 20.00 C ATOM 877 CG ARG A 48 -11.532 -17.658 37.663 1.00 20.00 C ATOM 878 CD ARG A 48 -11.805 -18.845 36.755 1.00 20.00 C ATOM 879 NE ARG A 48 -13.172 -19.340 36.901 1.00 20.00 N ATOM 880 CZ ARG A 48 -13.581 -20.540 36.494 1.00 20.00 C ATOM 881 NH1 ARG A 48 -12.733 -21.373 35.898 1.00 20.00 N ATOM 882 NH2 ARG A 48 -14.844 -20.905 36.681 1.00 20.00 N ATOM 0 H ARG A 48 -11.210 -14.916 37.086 1.00 20.00 H new ATOM 0 HA ARG A 48 -9.973 -16.126 39.367 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -9.969 -16.885 36.422 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -9.408 -17.909 37.729 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -11.675 -17.954 38.702 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -12.252 -16.866 37.455 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -11.632 -18.556 35.718 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -11.102 -19.646 36.984 1.00 20.00 H new ATOM 0 HE ARG A 48 -13.857 -18.727 37.343 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -11.763 -21.094 35.750 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -13.052 -22.291 35.589 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -15.497 -20.267 37.135 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -15.161 -21.823 36.370 1.00 20.00 H new ATOM 896 N MET A 49 -8.099 -14.783 37.010 1.00 20.00 N ATOM 897 CA MET A 49 -6.758 -14.305 36.705 1.00 20.00 C ATOM 898 C MET A 49 -6.337 -13.218 37.683 1.00 20.00 C ATOM 899 O MET A 49 -5.151 -13.039 37.952 1.00 20.00 O ATOM 900 CB MET A 49 -6.684 -13.772 35.276 1.00 20.00 C ATOM 901 CG MET A 49 -6.940 -14.827 34.212 1.00 20.00 C ATOM 902 SD MET A 49 -5.856 -16.263 34.372 1.00 20.00 S ATOM 903 CE MET A 49 -4.243 -15.493 34.239 1.00 20.00 C ATOM 0 H MET A 49 -8.800 -14.549 36.307 1.00 20.00 H new ATOM 0 HA MET A 49 -6.074 -15.148 36.801 1.00 20.00 H new ATOM 0 HB2 MET A 49 -7.412 -12.969 35.160 1.00 20.00 H new ATOM 0 HB3 MET A 49 -5.699 -13.336 35.112 1.00 20.00 H new ATOM 0 HG2 MET A 49 -7.978 -15.153 34.273 1.00 20.00 H new ATOM 0 HG3 MET A 49 -6.803 -14.383 33.226 1.00 20.00 H new ATOM 0 HE1 MET A 49 -3.487 -16.260 34.070 1.00 20.00 H new ATOM 0 HE2 MET A 49 -4.242 -14.792 33.404 1.00 20.00 H new ATOM 0 HE3 MET A 49 -4.018 -14.959 35.162 1.00 20.00 H new ATOM 913 N ALA A 50 -7.318 -12.499 38.217 1.00 20.00 N ATOM 914 CA ALA A 50 -7.062 -11.445 39.188 1.00 20.00 C ATOM 915 C ALA A 50 -6.302 -11.977 40.397 1.00 20.00 C ATOM 916 O ALA A 50 -5.362 -11.344 40.879 1.00 20.00 O ATOM 917 CB ALA A 50 -8.368 -10.809 39.629 1.00 20.00 C ATOM 0 H ALA A 50 -8.304 -12.629 37.991 1.00 20.00 H new ATOM 0 HA ALA A 50 -6.441 -10.689 38.707 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -8.163 -10.022 40.355 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -8.875 -10.381 38.764 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -9.006 -11.566 40.085 1.00 20.00 H new ATOM 923 N GLU A 51 -6.697 -13.156 40.862 1.00 20.00 N ATOM 924 CA GLU A 51 -6.069 -13.767 42.026 1.00 20.00 C ATOM 925 C GLU A 51 -4.654 -14.222 41.695 1.00 20.00 C ATOM 926 O GLU A 51 -3.781 -14.260 42.562 1.00 20.00 O ATOM 927 CB GLU A 51 -6.891 -14.952 42.530 1.00 20.00 C ATOM 928 CG GLU A 51 -8.304 -14.582 42.946 1.00 20.00 C ATOM 929 CD GLU A 51 -8.998 -15.699 43.691 1.00 20.00 C ATOM 930 OE1 GLU A 51 -9.633 -16.550 43.038 1.00 20.00 O ATOM 931 OE2 GLU A 51 -8.910 -15.731 44.937 1.00 20.00 O ATOM 0 H GLU A 51 -7.450 -13.708 40.450 1.00 20.00 H new ATOM 0 HA GLU A 51 -6.023 -13.015 42.814 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -6.939 -15.709 41.747 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -6.378 -15.404 43.379 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -8.273 -13.693 43.576 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -8.885 -14.324 42.060 1.00 20.00 H new ATOM 938 N ARG A 52 -4.436 -14.551 40.429 1.00 20.00 N ATOM 939 CA ARG A 52 -3.122 -14.970 39.966 1.00 20.00 C ATOM 940 C ARG A 52 -2.212 -13.757 39.836 1.00 20.00 C ATOM 941 O ARG A 52 -1.059 -13.777 40.275 1.00 20.00 O ATOM 942 CB ARG A 52 -3.222 -15.684 38.613 1.00 20.00 C ATOM 943 CG ARG A 52 -4.141 -16.897 38.607 1.00 20.00 C ATOM 944 CD ARG A 52 -3.695 -17.954 39.601 1.00 20.00 C ATOM 945 NE ARG A 52 -4.527 -19.148 39.520 1.00 20.00 N ATOM 946 CZ ARG A 52 -4.675 -20.030 40.505 1.00 20.00 C ATOM 947 NH1 ARG A 52 -4.015 -19.878 41.650 1.00 20.00 N ATOM 948 NH2 ARG A 52 -5.477 -21.072 40.336 1.00 20.00 N ATOM 0 H ARG A 52 -5.154 -14.535 39.704 1.00 20.00 H new ATOM 0 HA ARG A 52 -2.706 -15.665 40.695 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -3.575 -14.973 37.866 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -2.224 -15.998 38.307 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -5.157 -16.583 38.844 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -4.166 -17.328 37.606 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -2.655 -18.220 39.409 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -3.739 -17.547 40.611 1.00 20.00 H new ATOM 0 HE ARG A 52 -5.030 -19.319 38.649 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -3.391 -19.081 41.777 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -4.133 -20.558 42.401 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -5.976 -21.194 39.455 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -5.595 -21.752 41.087 1.00 20.00 H new ATOM 962 N PHE A 53 -2.755 -12.695 39.251 1.00 20.00 N ATOM 963 CA PHE A 53 -2.007 -11.471 39.023 1.00 20.00 C ATOM 964 C PHE A 53 -1.676 -10.783 40.342 1.00 20.00 C ATOM 965 O PHE A 53 -0.721 -10.013 40.427 1.00 20.00 O ATOM 966 CB PHE A 53 -2.799 -10.524 38.119 1.00 20.00 C ATOM 967 CG PHE A 53 -2.044 -9.280 37.742 1.00 20.00 C ATOM 968 CD1 PHE A 53 -0.937 -9.351 36.909 1.00 20.00 C ATOM 969 CD2 PHE A 53 -2.439 -8.040 38.218 1.00 20.00 C ATOM 970 CE1 PHE A 53 -0.240 -8.211 36.562 1.00 20.00 C ATOM 971 CE2 PHE A 53 -1.746 -6.896 37.874 1.00 20.00 C ATOM 972 CZ PHE A 53 -0.644 -6.983 37.045 1.00 20.00 C ATOM 0 H PHE A 53 -3.721 -12.661 38.924 1.00 20.00 H new ATOM 0 HA PHE A 53 -1.072 -11.732 38.528 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -3.084 -11.055 37.211 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -3.722 -10.240 38.625 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -0.617 -10.309 36.528 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -3.300 -7.967 38.866 1.00 20.00 H new ATOM 0 HE1 PHE A 53 0.621 -8.280 35.913 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -2.065 -5.936 38.252 1.00 20.00 H new ATOM 0 HZ PHE A 53 -0.099 -6.090 36.775 1.00 20.00 H new ATOM 982 N ALA A 54 -2.465 -11.076 41.367 1.00 20.00 N ATOM 983 CA ALA A 54 -2.249 -10.514 42.694 1.00 20.00 C ATOM 984 C ALA A 54 -0.829 -10.788 43.182 1.00 20.00 C ATOM 985 O ALA A 54 -0.169 -9.906 43.730 1.00 20.00 O ATOM 986 CB ALA A 54 -3.268 -11.079 43.670 1.00 20.00 C ATOM 0 H ALA A 54 -3.266 -11.704 41.304 1.00 20.00 H new ATOM 0 HA ALA A 54 -2.378 -9.433 42.635 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -3.099 -10.654 44.659 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -4.273 -10.826 43.333 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -3.163 -12.163 43.719 1.00 20.00 H new ATOM 992 N LYS A 55 -0.355 -12.004 42.955 1.00 20.00 N ATOM 993 CA LYS A 55 0.993 -12.380 43.355 1.00 20.00 C ATOM 994 C LYS A 55 2.002 -11.965 42.292 1.00 20.00 C ATOM 995 O LYS A 55 3.195 -11.831 42.565 1.00 20.00 O ATOM 996 CB LYS A 55 1.075 -13.886 43.605 1.00 20.00 C ATOM 997 CG LYS A 55 0.148 -14.372 44.708 1.00 20.00 C ATOM 998 CD LYS A 55 0.256 -15.871 44.900 1.00 20.00 C ATOM 999 CE LYS A 55 -0.552 -16.335 46.100 1.00 20.00 C ATOM 1000 NZ LYS A 55 -0.468 -17.805 46.288 1.00 20.00 N ATOM 0 H LYS A 55 -0.883 -12.747 42.496 1.00 20.00 H new ATOM 0 HA LYS A 55 1.234 -11.860 44.282 1.00 20.00 H new ATOM 0 HB2 LYS A 55 0.834 -14.413 42.682 1.00 20.00 H new ATOM 0 HB3 LYS A 55 2.101 -14.148 43.863 1.00 20.00 H new ATOM 0 HG2 LYS A 55 0.394 -13.865 45.641 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -0.881 -14.108 44.463 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -0.096 -16.381 44.003 1.00 20.00 H new ATOM 0 HD3 LYS A 55 1.302 -16.148 45.034 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -0.190 -15.833 46.997 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -1.595 -16.044 45.970 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -1.032 -18.082 47.116 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -0.836 -18.285 45.442 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 0.524 -18.080 46.437 1.00 20.00 H new ATOM 1014 N MET A 56 1.510 -11.737 41.082 1.00 20.00 N ATOM 1015 CA MET A 56 2.359 -11.304 39.976 1.00 20.00 C ATOM 1016 C MET A 56 2.709 -9.830 40.123 1.00 20.00 C ATOM 1017 O MET A 56 3.565 -9.312 39.409 1.00 20.00 O ATOM 1018 CB MET A 56 1.668 -11.537 38.633 1.00 20.00 C ATOM 1019 CG MET A 56 1.404 -13.001 38.319 1.00 20.00 C ATOM 1020 SD MET A 56 0.455 -13.223 36.804 1.00 20.00 S ATOM 1021 CE MET A 56 1.535 -12.442 35.607 1.00 20.00 C ATOM 0 H MET A 56 0.525 -11.844 40.839 1.00 20.00 H new ATOM 0 HA MET A 56 3.274 -11.895 40.004 1.00 20.00 H new ATOM 0 HB2 MET A 56 0.721 -10.998 38.625 1.00 20.00 H new ATOM 0 HB3 MET A 56 2.284 -11.111 37.841 1.00 20.00 H new ATOM 0 HG2 MET A 56 2.355 -13.527 38.228 1.00 20.00 H new ATOM 0 HG3 MET A 56 0.866 -13.456 39.151 1.00 20.00 H new ATOM 0 HE1 MET A 56 1.261 -12.767 34.603 1.00 20.00 H new ATOM 0 HE2 MET A 56 1.434 -11.359 35.678 1.00 20.00 H new ATOM 0 HE3 MET A 56 2.568 -12.725 35.810 1.00 20.00 H new ATOM 1031 N ARG A 57 2.038 -9.159 41.055 1.00 20.00 N ATOM 1032 CA ARG A 57 2.325 -7.761 41.353 1.00 20.00 C ATOM 1033 C ARG A 57 3.651 -7.631 42.092 1.00 20.00 C ATOM 1034 O ARG A 57 4.126 -6.521 42.342 1.00 20.00 O ATOM 1035 CB ARG A 57 1.200 -7.139 42.182 1.00 20.00 C ATOM 1036 CG ARG A 57 -0.108 -6.988 41.423 1.00 20.00 C ATOM 1037 CD ARG A 57 -1.190 -6.377 42.297 1.00 20.00 C ATOM 1038 NE ARG A 57 -0.822 -5.044 42.775 1.00 20.00 N ATOM 1039 CZ ARG A 57 -1.367 -4.455 43.839 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -2.304 -5.078 44.544 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -0.971 -3.243 44.202 1.00 20.00 N ATOM 0 H ARG A 57 1.290 -9.563 41.618 1.00 20.00 H new ATOM 0 HA ARG A 57 2.396 -7.224 40.407 1.00 20.00 H new ATOM 0 HB2 ARG A 57 1.028 -7.755 43.065 1.00 20.00 H new ATOM 0 HB3 ARG A 57 1.520 -6.159 42.535 1.00 20.00 H new ATOM 0 HG2 ARG A 57 0.049 -6.361 40.545 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -0.436 -7.963 41.064 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -2.120 -6.315 41.732 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -1.378 -7.029 43.150 1.00 20.00 H new ATOM 0 HE ARG A 57 -0.103 -4.534 42.262 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -2.610 -6.012 44.272 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -2.718 -4.622 45.357 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -0.249 -2.761 43.667 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -1.388 -2.793 45.016 1.00 20.00 H new