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= -0.675! C(o=-0.67!,f=-4.4!) USER MOD Single : A 19 ASN : amide:sc= 0.536 K(o=0.54,f=-1) USER MOD Single : A 20 SER OG : rot 27:sc= 0.0193 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00185 K(o=-0.0018,f=-0.81) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 159:sc= -0.15 (180deg=-0.72) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.0367 (180deg=-0.262) USER MOD Single : A 56 MET CE :methyl 159:sc= 0 (180deg=-0.474) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.734 0.223 2.958 1.00 20.00 N ATOM 365 CA GLU A 16 -30.754 -0.768 1.889 1.00 20.00 C ATOM 366 C GLU A 16 -29.384 -1.408 1.724 1.00 20.00 C ATOM 367 O GLU A 16 -29.266 -2.597 1.428 1.00 20.00 O ATOM 368 CB GLU A 16 -31.194 -0.126 0.577 1.00 20.00 C ATOM 369 CG GLU A 16 -32.682 0.166 0.518 1.00 20.00 C ATOM 370 CD GLU A 16 -33.519 -1.094 0.538 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.744 -1.650 1.632 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.964 -1.533 -0.544 1.00 20.00 O ATOM 0 HA GLU A 16 -31.469 -1.545 2.158 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.643 0.803 0.433 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.928 -0.786 -0.249 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.959 0.796 1.363 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.903 0.731 -0.388 1.00 20.00 H new ATOM 379 N GLN A 17 -28.351 -0.605 1.930 1.00 20.00 N ATOM 380 CA GLN A 17 -26.978 -1.079 1.844 1.00 20.00 C ATOM 381 C GLN A 17 -26.710 -2.114 2.932 1.00 20.00 C ATOM 382 O GLN A 17 -25.910 -3.027 2.755 1.00 20.00 O ATOM 383 CB GLN A 17 -25.988 0.087 1.967 1.00 20.00 C ATOM 384 CG GLN A 17 -26.242 1.231 0.990 1.00 20.00 C ATOM 385 CD GLN A 17 -27.318 2.192 1.471 1.00 20.00 C ATOM 386 OE1 GLN A 17 -28.505 2.007 1.200 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.913 3.230 2.180 1.00 20.00 N ATOM 0 H GLN A 17 -28.439 0.385 2.160 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.838 -1.545 0.869 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.029 0.477 2.984 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.978 -0.291 1.811 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -25.314 1.781 0.833 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.535 0.819 0.024 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.921 3.352 2.386 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.592 3.910 2.522 1.00 20.00 H new ATOM 396 N GLU A 18 -27.409 -1.979 4.050 1.00 20.00 N ATOM 397 CA GLU A 18 -27.278 -2.929 5.143 1.00 20.00 C ATOM 398 C GLU A 18 -27.991 -4.227 4.790 1.00 20.00 C ATOM 399 O GLU A 18 -27.501 -5.316 5.081 1.00 20.00 O ATOM 400 CB GLU A 18 -27.845 -2.338 6.440 1.00 20.00 C ATOM 401 CG GLU A 18 -27.803 -3.286 7.626 1.00 20.00 C ATOM 402 CD GLU A 18 -28.193 -2.607 8.920 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.341 -1.907 9.504 1.00 20.00 O ATOM 404 OE2 GLU A 18 -29.347 -2.776 9.366 1.00 20.00 O ATOM 0 H GLU A 18 -28.071 -1.222 4.223 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.220 -3.141 5.300 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.286 -1.436 6.690 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.878 -2.035 6.267 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.475 -4.124 7.442 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.799 -3.698 7.723 1.00 20.00 H new ATOM 411 N ASN A 19 -29.137 -4.096 4.138 1.00 20.00 N ATOM 412 CA ASN A 19 -29.931 -5.254 3.741 1.00 20.00 C ATOM 413 C ASN A 19 -29.198 -6.079 2.691 1.00 20.00 C ATOM 414 O ASN A 19 -29.242 -7.308 2.714 1.00 20.00 O ATOM 415 CB ASN A 19 -31.303 -4.818 3.214 1.00 20.00 C ATOM 416 CG ASN A 19 -32.166 -4.194 4.296 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.036 -4.525 5.475 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.053 -3.286 3.911 1.00 20.00 N ATOM 0 H ASN A 19 -29.540 -3.198 3.871 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.082 -5.876 4.623 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.167 -4.102 2.403 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.819 -5.681 2.794 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.655 -2.837 4.601 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.133 -3.037 2.925 1.00 20.00 H new ATOM 425 N SER A 20 -28.503 -5.402 1.783 1.00 20.00 N ATOM 426 CA SER A 20 -27.747 -6.086 0.742 1.00 20.00 C ATOM 427 C SER A 20 -26.522 -6.790 1.328 1.00 20.00 C ATOM 428 O SER A 20 -26.254 -7.950 1.010 1.00 20.00 O ATOM 429 CB SER A 20 -27.343 -5.098 -0.353 1.00 20.00 C ATOM 430 OG SER A 20 -26.895 -3.873 0.201 1.00 20.00 O ATOM 0 H SER A 20 -28.448 -4.384 1.747 1.00 20.00 H new ATOM 0 HA SER A 20 -28.384 -6.850 0.297 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.554 -5.533 -0.966 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.192 -4.913 -1.011 1.00 20.00 H new ATOM 0 HG SER A 20 -26.533 -4.032 1.098 1.00 20.00 H new ATOM 436 N TYR A 21 -25.797 -6.100 2.201 1.00 20.00 N ATOM 437 CA TYR A 21 -24.639 -6.694 2.864 1.00 20.00 C ATOM 438 C TYR A 21 -25.054 -7.851 3.770 1.00 20.00 C ATOM 439 O TYR A 21 -24.315 -8.827 3.921 1.00 20.00 O ATOM 440 CB TYR A 21 -23.862 -5.644 3.665 1.00 20.00 C ATOM 441 CG TYR A 21 -22.788 -4.940 2.860 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.509 -5.476 2.763 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.047 -3.747 2.197 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.523 -4.845 2.028 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.066 -3.111 1.459 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.806 -3.662 1.379 1.00 20.00 C ATOM 447 OH TYR A 21 -19.827 -3.031 0.644 1.00 20.00 O ATOM 0 H TYR A 21 -25.988 -5.134 2.466 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.984 -7.087 2.086 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.561 -4.902 4.050 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.401 -6.125 4.528 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.282 -6.402 3.271 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.032 -3.309 2.259 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.535 -5.277 1.962 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.287 -2.186 0.947 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.191 -2.211 0.250 1.00 20.00 H new ATOM 457 N ASN A 22 -26.235 -7.749 4.367 1.00 20.00 N ATOM 458 CA ASN A 22 -26.746 -8.820 5.217 1.00 20.00 C ATOM 459 C ASN A 22 -27.130 -10.026 4.369 1.00 20.00 C ATOM 460 O ASN A 22 -26.934 -11.173 4.775 1.00 20.00 O ATOM 461 CB ASN A 22 -27.955 -8.350 6.032 1.00 20.00 C ATOM 462 CG ASN A 22 -28.389 -9.382 7.059 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.566 -10.123 7.599 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.682 -9.446 7.334 1.00 20.00 N ATOM 0 H ASN A 22 -26.854 -6.943 4.280 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.955 -9.105 5.911 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.709 -7.417 6.538 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.785 -8.138 5.358 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.026 -10.125 8.013 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.334 -8.816 6.867 1.00 20.00 H new ATOM 471 N GLU A 23 -27.663 -9.755 3.181 1.00 20.00 N ATOM 472 CA GLU A 23 -28.029 -10.805 2.238 1.00 20.00 C ATOM 473 C GLU A 23 -26.798 -11.627 1.864 1.00 20.00 C ATOM 474 O GLU A 23 -26.864 -12.853 1.741 1.00 20.00 O ATOM 475 CB GLU A 23 -28.654 -10.186 0.982 1.00 20.00 C ATOM 476 CG GLU A 23 -29.228 -11.200 0.004 1.00 20.00 C ATOM 477 CD GLU A 23 -30.470 -11.889 0.533 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.505 -11.211 0.695 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.431 -13.117 0.761 1.00 20.00 O ATOM 0 H GLU A 23 -27.852 -8.810 2.848 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.760 -11.464 2.707 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.446 -9.501 1.284 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.898 -9.592 0.469 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.468 -10.698 -0.933 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.470 -11.950 -0.221 1.00 20.00 H new ATOM 486 N TRP A 24 -25.672 -10.942 1.690 1.00 20.00 N ATOM 487 CA TRP A 24 -24.412 -11.609 1.392 1.00 20.00 C ATOM 488 C TRP A 24 -23.909 -12.363 2.616 1.00 20.00 C ATOM 489 O TRP A 24 -23.405 -13.477 2.500 1.00 20.00 O ATOM 490 CB TRP A 24 -23.357 -10.603 0.921 1.00 20.00 C ATOM 491 CG TRP A 24 -23.747 -9.865 -0.324 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.521 -10.331 -1.345 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.365 -8.533 -0.686 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.654 -9.369 -2.314 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.951 -8.257 -1.936 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.585 -7.546 -0.077 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.786 -7.036 -2.583 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.421 -6.335 -0.722 1.00 20.00 C ATOM 499 CH2 TRP A 24 -23.018 -6.089 -1.964 1.00 20.00 C ATOM 0 H TRP A 24 -25.608 -9.926 1.750 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.589 -12.321 0.586 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.172 -9.883 1.718 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.419 -11.129 0.743 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.965 -11.315 -1.385 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.190 -9.467 -3.176 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.119 -7.727 0.880 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -24.248 -6.843 -3.540 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.822 -5.565 -0.260 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.869 -5.132 -2.443 1.00 20.00 H new ATOM 510 N LEU A 25 -24.069 -11.759 3.789 1.00 20.00 N ATOM 511 CA LEU A 25 -23.643 -12.376 5.044 1.00 20.00 C ATOM 512 C LEU A 25 -24.372 -13.696 5.269 1.00 20.00 C ATOM 513 O LEU A 25 -23.760 -14.711 5.608 1.00 20.00 O ATOM 514 CB LEU A 25 -23.918 -11.428 6.217 1.00 20.00 C ATOM 515 CG LEU A 25 -23.448 -11.924 7.588 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.928 -11.930 7.668 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.040 -11.063 8.694 1.00 20.00 C ATOM 0 H LEU A 25 -24.493 -10.838 3.899 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.573 -12.573 4.983 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.436 -10.473 6.010 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.990 -11.240 6.266 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.798 -12.948 7.722 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.617 -12.286 8.650 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.526 -12.589 6.899 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.551 -10.919 7.512 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.697 -11.428 9.662 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.720 -10.030 8.561 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.128 -11.114 8.652 1.00 20.00 H new ATOM 529 N ARG A 26 -25.681 -13.670 5.055 1.00 20.00 N ATOM 530 CA ARG A 26 -26.533 -14.839 5.246 1.00 20.00 C ATOM 531 C ARG A 26 -26.106 -15.985 4.334 1.00 20.00 C ATOM 532 O ARG A 26 -26.158 -17.152 4.722 1.00 20.00 O ATOM 533 CB ARG A 26 -27.995 -14.458 4.972 1.00 20.00 C ATOM 534 CG ARG A 26 -29.002 -15.590 5.160 1.00 20.00 C ATOM 535 CD ARG A 26 -29.209 -15.948 6.628 1.00 20.00 C ATOM 536 NE ARG A 26 -28.109 -16.742 7.179 1.00 20.00 N ATOM 537 CZ ARG A 26 -27.600 -16.565 8.399 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.058 -15.596 9.182 1.00 20.00 N ATOM 539 NH2 ARG A 26 -26.638 -17.366 8.838 1.00 20.00 N ATOM 0 H ARG A 26 -26.183 -12.838 4.744 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.433 -15.178 6.277 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.270 -13.634 5.631 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.073 -14.088 3.950 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.957 -15.299 4.722 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.658 -16.472 4.619 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.316 -15.032 7.209 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.141 -16.504 6.734 1.00 20.00 H new ATOM 0 HE ARG A 26 -27.708 -17.475 6.594 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.803 -14.982 8.852 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -27.665 -15.465 10.114 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -26.288 -18.117 8.243 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -26.248 -17.231 9.771 1.00 20.00 H new ATOM 553 N ALA A 27 -25.663 -15.645 3.131 1.00 20.00 N ATOM 554 CA ALA A 27 -25.267 -16.648 2.153 1.00 20.00 C ATOM 555 C ALA A 27 -23.823 -17.087 2.356 1.00 20.00 C ATOM 556 O ALA A 27 -23.494 -18.263 2.199 1.00 20.00 O ATOM 557 CB ALA A 27 -25.455 -16.113 0.746 1.00 20.00 C ATOM 0 H ALA A 27 -25.569 -14.682 2.809 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.906 -17.520 2.295 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.155 -16.873 0.025 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.503 -15.859 0.591 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.842 -15.222 0.610 1.00 20.00 H new ATOM 563 N LYS A 28 -22.964 -16.139 2.704 1.00 20.00 N ATOM 564 CA LYS A 28 -21.548 -16.426 2.873 1.00 20.00 C ATOM 565 C LYS A 28 -21.324 -17.280 4.116 1.00 20.00 C ATOM 566 O LYS A 28 -20.661 -18.314 4.054 1.00 20.00 O ATOM 567 CB LYS A 28 -20.729 -15.120 2.951 1.00 20.00 C ATOM 568 CG LYS A 28 -19.213 -15.322 2.934 1.00 20.00 C ATOM 569 CD LYS A 28 -18.674 -15.767 4.288 1.00 20.00 C ATOM 570 CE LYS A 28 -17.302 -16.411 4.166 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.803 -16.901 5.477 1.00 20.00 N ATOM 0 H LYS A 28 -23.223 -15.167 2.874 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.205 -16.987 2.003 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.007 -14.481 2.113 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.002 -14.588 3.862 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -18.956 -16.067 2.181 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.728 -14.391 2.640 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.614 -14.907 4.956 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.369 -16.474 4.741 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.352 -17.242 3.463 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.597 -15.688 3.756 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.865 -17.333 5.352 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.731 -16.104 6.141 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.463 -17.609 5.857 1.00 20.00 H new ATOM 585 N VAL A 29 -21.874 -16.845 5.241 1.00 20.00 N ATOM 586 CA VAL A 29 -21.702 -17.568 6.491 1.00 20.00 C ATOM 587 C VAL A 29 -22.580 -18.810 6.509 1.00 20.00 C ATOM 588 O VAL A 29 -22.220 -19.826 7.107 1.00 20.00 O ATOM 589 CB VAL A 29 -22.023 -16.681 7.713 1.00 20.00 C ATOM 590 CG1 VAL A 29 -21.877 -17.460 9.011 1.00 20.00 C ATOM 591 CG2 VAL A 29 -21.124 -15.454 7.725 1.00 20.00 C ATOM 0 H VAL A 29 -22.440 -16.000 5.313 1.00 20.00 H new ATOM 0 HA VAL A 29 -20.655 -17.864 6.556 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.060 -16.356 7.632 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -22.109 -16.809 9.854 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -22.563 -18.307 9.006 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -20.853 -17.823 9.104 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -21.361 -14.838 8.592 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -20.081 -15.767 7.777 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -21.284 -14.877 6.814 1.00 20.00 H new ATOM 772 N HIS A 42 -15.329 -4.601 14.041 1.00 20.00 N ATOM 773 CA HIS A 42 -15.513 -5.229 15.342 1.00 20.00 C ATOM 774 C HIS A 42 -16.616 -4.530 16.128 1.00 20.00 C ATOM 775 O HIS A 42 -17.313 -5.159 16.922 1.00 20.00 O ATOM 776 CB HIS A 42 -14.195 -5.212 16.132 1.00 20.00 C ATOM 777 CG HIS A 42 -14.287 -5.838 17.491 1.00 20.00 C ATOM 778 ND1 HIS A 42 -14.350 -5.102 18.653 1.00 20.00 N ATOM 779 CD2 HIS A 42 -14.330 -7.138 17.871 1.00 20.00 C ATOM 780 CE1 HIS A 42 -14.427 -5.918 19.686 1.00 20.00 C ATOM 781 NE2 HIS A 42 -14.420 -7.160 19.241 1.00 20.00 N ATOM 0 HA HIS A 42 -15.812 -6.265 15.185 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -13.431 -5.733 15.555 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -13.863 -4.180 16.241 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -14.299 -7.997 17.218 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -14.486 -5.620 20.722 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -14.473 -7.998 19.819 1.00 20.00 H new ATOM 790 N ASP A 43 -16.790 -3.237 15.881 1.00 20.00 N ATOM 791 CA ASP A 43 -17.768 -2.446 16.625 1.00 20.00 C ATOM 792 C ASP A 43 -19.184 -2.873 16.279 1.00 20.00 C ATOM 793 O ASP A 43 -20.071 -2.873 17.131 1.00 20.00 O ATOM 794 CB ASP A 43 -17.597 -0.949 16.355 1.00 20.00 C ATOM 795 CG ASP A 43 -16.231 -0.443 16.762 1.00 20.00 C ATOM 796 OD1 ASP A 43 -15.997 -0.266 17.976 1.00 20.00 O ATOM 797 OD2 ASP A 43 -15.378 -0.236 15.871 1.00 20.00 O ATOM 0 H ASP A 43 -16.271 -2.715 15.176 1.00 20.00 H new ATOM 0 HA ASP A 43 -17.592 -2.627 17.685 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -17.753 -0.754 15.294 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -18.363 -0.395 16.897 1.00 20.00 H new ATOM 802 N GLU A 44 -19.384 -3.262 15.027 1.00 20.00 N ATOM 803 CA GLU A 44 -20.690 -3.711 14.570 1.00 20.00 C ATOM 804 C GLU A 44 -21.057 -5.016 15.256 1.00 20.00 C ATOM 805 O GLU A 44 -22.193 -5.212 15.686 1.00 20.00 O ATOM 806 CB GLU A 44 -20.705 -3.900 13.050 1.00 20.00 C ATOM 807 CG GLU A 44 -20.364 -2.639 12.272 1.00 20.00 C ATOM 808 CD GLU A 44 -21.219 -1.456 12.672 1.00 20.00 C ATOM 809 OE1 GLU A 44 -22.362 -1.345 12.183 1.00 20.00 O ATOM 810 OE2 GLU A 44 -20.755 -0.626 13.476 1.00 20.00 O ATOM 0 H GLU A 44 -18.658 -3.275 14.311 1.00 20.00 H new ATOM 0 HA GLU A 44 -21.423 -2.947 14.827 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -19.995 -4.683 12.784 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -21.692 -4.248 12.746 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -19.314 -2.393 12.430 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -20.490 -2.829 11.206 1.00 20.00 H new ATOM 817 N VAL A 45 -20.073 -5.896 15.375 1.00 20.00 N ATOM 818 CA VAL A 45 -20.268 -7.178 16.025 1.00 20.00 C ATOM 819 C VAL A 45 -20.445 -6.993 17.525 1.00 20.00 C ATOM 820 O VAL A 45 -21.370 -7.535 18.112 1.00 20.00 O ATOM 821 CB VAL A 45 -19.085 -8.127 15.760 1.00 20.00 C ATOM 822 CG1 VAL A 45 -19.286 -9.460 16.468 1.00 20.00 C ATOM 823 CG2 VAL A 45 -18.899 -8.330 14.266 1.00 20.00 C ATOM 0 H VAL A 45 -19.127 -5.741 15.027 1.00 20.00 H new ATOM 0 HA VAL A 45 -21.170 -7.624 15.606 1.00 20.00 H new ATOM 0 HB VAL A 45 -18.181 -7.671 16.163 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -18.436 -10.112 16.264 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -19.366 -9.293 17.542 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -20.200 -9.931 16.105 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -18.059 -9.003 14.092 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -19.805 -8.763 13.842 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -18.699 -7.370 13.790 1.00 20.00 H new ATOM 833 N GLU A 46 -19.565 -6.198 18.123 1.00 20.00 N ATOM 834 CA GLU A 46 -19.589 -5.949 19.565 1.00 20.00 C ATOM 835 C GLU A 46 -20.937 -5.389 20.014 1.00 20.00 C ATOM 836 O GLU A 46 -21.466 -5.782 21.056 1.00 20.00 O ATOM 837 CB GLU A 46 -18.462 -4.985 19.952 1.00 20.00 C ATOM 838 CG GLU A 46 -18.460 -4.590 21.419 1.00 20.00 C ATOM 839 CD GLU A 46 -17.269 -3.736 21.788 1.00 20.00 C ATOM 840 OE1 GLU A 46 -17.151 -2.608 21.267 1.00 20.00 O ATOM 841 OE2 GLU A 46 -16.447 -4.188 22.609 1.00 20.00 O ATOM 0 H GLU A 46 -18.818 -5.710 17.629 1.00 20.00 H new ATOM 0 HA GLU A 46 -19.438 -6.902 20.072 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -17.505 -5.446 19.710 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -18.544 -4.084 19.344 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -19.377 -4.046 21.647 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -18.462 -5.490 22.034 1.00 20.00 H new ATOM 848 N ARG A 47 -21.488 -4.483 19.217 1.00 20.00 N ATOM 849 CA ARG A 47 -22.771 -3.858 19.522 1.00 20.00 C ATOM 850 C ARG A 47 -23.880 -4.908 19.603 1.00 20.00 C ATOM 851 O ARG A 47 -24.777 -4.822 20.441 1.00 20.00 O ATOM 852 CB ARG A 47 -23.103 -2.814 18.451 1.00 20.00 C ATOM 853 CG ARG A 47 -24.396 -2.053 18.695 1.00 20.00 C ATOM 854 CD ARG A 47 -24.643 -1.026 17.600 1.00 20.00 C ATOM 855 NE ARG A 47 -24.767 -1.650 16.281 1.00 20.00 N ATOM 856 CZ ARG A 47 -23.928 -1.437 15.266 1.00 20.00 C ATOM 857 NH1 ARG A 47 -22.885 -0.628 15.414 1.00 20.00 N ATOM 858 NH2 ARG A 47 -24.126 -2.040 14.102 1.00 20.00 N ATOM 0 H ARG A 47 -21.063 -4.162 18.347 1.00 20.00 H new ATOM 0 HA ARG A 47 -22.700 -3.366 20.492 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -22.282 -2.100 18.390 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -23.166 -3.311 17.483 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -25.231 -2.753 18.737 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -24.350 -1.553 19.663 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -25.552 -0.468 17.824 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -23.824 -0.307 17.586 1.00 20.00 H new ATOM 0 HE ARG A 47 -25.547 -2.290 16.128 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -22.721 -0.165 16.308 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -22.248 -0.470 14.634 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -24.921 -2.668 13.982 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -23.484 -1.876 13.327 1.00 20.00 H new ATOM 872 N ARG A 48 -23.797 -5.905 18.733 1.00 20.00 N ATOM 873 CA ARG A 48 -24.792 -6.971 18.681 1.00 20.00 C ATOM 874 C ARG A 48 -24.450 -8.072 19.682 1.00 20.00 C ATOM 875 O ARG A 48 -25.332 -8.662 20.306 1.00 20.00 O ATOM 876 CB ARG A 48 -24.851 -7.546 17.267 1.00 20.00 C ATOM 877 CG ARG A 48 -25.100 -6.491 16.200 1.00 20.00 C ATOM 878 CD ARG A 48 -24.870 -7.035 14.799 1.00 20.00 C ATOM 879 NE ARG A 48 -25.106 -6.013 13.778 1.00 20.00 N ATOM 880 CZ ARG A 48 -24.354 -5.852 12.689 1.00 20.00 C ATOM 881 NH1 ARG A 48 -23.327 -6.659 12.460 1.00 20.00 N ATOM 882 NH2 ARG A 48 -24.638 -4.884 11.825 1.00 20.00 N ATOM 0 H ARG A 48 -23.046 -5.999 18.049 1.00 20.00 H new ATOM 0 HA ARG A 48 -25.766 -6.559 18.944 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -23.913 -8.058 17.051 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -25.641 -8.295 17.219 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -26.123 -6.125 16.284 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -24.442 -5.639 16.371 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -23.848 -7.405 14.715 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -25.531 -7.884 14.625 1.00 20.00 H new ATOM 0 HE ARG A 48 -25.897 -5.383 13.908 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -23.109 -7.407 13.118 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -22.755 -6.532 11.625 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -25.431 -4.265 11.995 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -24.063 -4.760 10.991 1.00 20.00 H new ATOM 896 N MET A 49 -23.158 -8.320 19.836 1.00 20.00 N ATOM 897 CA MET A 49 -22.658 -9.350 20.737 1.00 20.00 C ATOM 898 C MET A 49 -23.026 -9.025 22.176 1.00 20.00 C ATOM 899 O MET A 49 -23.373 -9.912 22.952 1.00 20.00 O ATOM 900 CB MET A 49 -21.140 -9.468 20.601 1.00 20.00 C ATOM 901 CG MET A 49 -20.555 -10.677 21.308 1.00 20.00 C ATOM 902 SD MET A 49 -21.182 -12.237 20.654 1.00 20.00 S ATOM 903 CE MET A 49 -20.643 -12.125 18.948 1.00 20.00 C ATOM 0 H MET A 49 -22.425 -7.813 19.340 1.00 20.00 H new ATOM 0 HA MET A 49 -23.118 -10.301 20.468 1.00 20.00 H new ATOM 0 HB2 MET A 49 -20.882 -9.517 19.543 1.00 20.00 H new ATOM 0 HB3 MET A 49 -20.677 -8.566 21.001 1.00 20.00 H new ATOM 0 HG2 MET A 49 -19.469 -10.658 21.213 1.00 20.00 H new ATOM 0 HG3 MET A 49 -20.783 -10.616 22.372 1.00 20.00 H new ATOM 0 HE1 MET A 49 -20.611 -13.123 18.510 1.00 20.00 H new ATOM 0 HE2 MET A 49 -21.341 -11.505 18.386 1.00 20.00 H new ATOM 0 HE3 MET A 49 -19.649 -11.679 18.909 1.00 20.00 H new ATOM 913 N ALA A 50 -22.953 -7.744 22.520 1.00 20.00 N ATOM 914 CA ALA A 50 -23.320 -7.280 23.849 1.00 20.00 C ATOM 915 C ALA A 50 -24.766 -7.636 24.170 1.00 20.00 C ATOM 916 O ALA A 50 -25.085 -8.038 25.289 1.00 20.00 O ATOM 917 CB ALA A 50 -23.107 -5.779 23.960 1.00 20.00 C ATOM 0 H ALA A 50 -22.640 -7.005 21.890 1.00 20.00 H new ATOM 0 HA ALA A 50 -22.679 -7.781 24.574 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -23.386 -5.445 24.959 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -22.058 -5.546 23.779 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -23.725 -5.268 23.221 1.00 20.00 H new ATOM 923 N GLU A 51 -25.628 -7.502 23.170 1.00 20.00 N ATOM 924 CA GLU A 51 -27.036 -7.844 23.314 1.00 20.00 C ATOM 925 C GLU A 51 -27.200 -9.338 23.568 1.00 20.00 C ATOM 926 O GLU A 51 -27.943 -9.755 24.459 1.00 20.00 O ATOM 927 CB GLU A 51 -27.810 -7.443 22.055 1.00 20.00 C ATOM 928 CG GLU A 51 -27.912 -5.942 21.842 1.00 20.00 C ATOM 929 CD GLU A 51 -28.669 -5.249 22.955 1.00 20.00 C ATOM 930 OE1 GLU A 51 -29.885 -5.496 23.093 1.00 20.00 O ATOM 931 OE2 GLU A 51 -28.052 -4.460 23.696 1.00 20.00 O ATOM 0 H GLU A 51 -25.374 -7.156 22.245 1.00 20.00 H new ATOM 0 HA GLU A 51 -27.436 -7.297 24.168 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -27.327 -7.891 21.186 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -28.815 -7.860 22.111 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -26.910 -5.519 21.771 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -28.409 -5.746 20.892 1.00 20.00 H new ATOM 938 N ARG A 52 -26.481 -10.139 22.794 1.00 20.00 N ATOM 939 CA ARG A 52 -26.553 -11.588 22.917 1.00 20.00 C ATOM 940 C ARG A 52 -25.950 -12.048 24.239 1.00 20.00 C ATOM 941 O ARG A 52 -26.477 -12.949 24.890 1.00 20.00 O ATOM 942 CB ARG A 52 -25.843 -12.265 21.739 1.00 20.00 C ATOM 943 CG ARG A 52 -26.535 -12.046 20.399 1.00 20.00 C ATOM 944 CD ARG A 52 -27.919 -12.677 20.375 1.00 20.00 C ATOM 945 NE ARG A 52 -28.671 -12.308 19.177 1.00 20.00 N ATOM 946 CZ ARG A 52 -29.856 -12.822 18.851 1.00 20.00 C ATOM 947 NH1 ARG A 52 -30.386 -13.800 19.575 1.00 20.00 N ATOM 948 NH2 ARG A 52 -30.500 -12.369 17.785 1.00 20.00 N ATOM 0 H ARG A 52 -25.840 -9.809 22.073 1.00 20.00 H new ATOM 0 HA ARG A 52 -27.603 -11.879 22.900 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -24.822 -11.888 21.677 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -25.777 -13.336 21.933 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -26.618 -10.977 20.202 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -25.927 -12.471 19.601 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -27.823 -13.762 20.423 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -28.474 -12.367 21.261 1.00 20.00 H new ATOM 0 HE ARG A 52 -28.263 -11.613 18.551 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -29.886 -14.163 20.387 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -31.294 -14.189 19.320 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -30.088 -11.629 17.217 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -31.407 -12.761 17.533 1.00 20.00 H new ATOM 962 N PHE A 53 -24.857 -11.408 24.641 1.00 20.00 N ATOM 963 CA PHE A 53 -24.198 -11.733 25.899 1.00 20.00 C ATOM 964 C PHE A 53 -25.098 -11.393 27.080 1.00 20.00 C ATOM 965 O PHE A 53 -25.090 -12.085 28.095 1.00 20.00 O ATOM 966 CB PHE A 53 -22.863 -10.992 26.020 1.00 20.00 C ATOM 967 CG PHE A 53 -22.134 -11.275 27.307 1.00 20.00 C ATOM 968 CD1 PHE A 53 -21.615 -12.534 27.569 1.00 20.00 C ATOM 969 CD2 PHE A 53 -21.978 -10.280 28.261 1.00 20.00 C ATOM 970 CE1 PHE A 53 -20.956 -12.794 28.755 1.00 20.00 C ATOM 971 CE2 PHE A 53 -21.320 -10.536 29.447 1.00 20.00 C ATOM 972 CZ PHE A 53 -20.807 -11.794 29.695 1.00 20.00 C ATOM 0 H PHE A 53 -24.409 -10.660 24.112 1.00 20.00 H new ATOM 0 HA PHE A 53 -24.000 -12.805 25.910 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -22.225 -11.270 25.181 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -23.043 -9.920 25.942 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -21.727 -13.320 26.837 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -22.376 -9.294 28.074 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.557 -13.779 28.947 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -21.206 -9.752 30.181 1.00 20.00 H new ATOM 0 HZ PHE A 53 -20.291 -11.995 30.622 1.00 20.00 H new ATOM 982 N ALA A 54 -25.882 -10.333 26.937 1.00 20.00 N ATOM 983 CA ALA A 54 -26.820 -9.930 27.976 1.00 20.00 C ATOM 984 C ALA A 54 -27.852 -11.025 28.222 1.00 20.00 C ATOM 985 O ALA A 54 -28.361 -11.182 29.334 1.00 20.00 O ATOM 986 CB ALA A 54 -27.504 -8.628 27.592 1.00 20.00 C ATOM 0 H ALA A 54 -25.887 -9.736 26.110 1.00 20.00 H new ATOM 0 HA ALA A 54 -26.265 -9.771 28.901 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -28.202 -8.338 28.377 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -26.755 -7.847 27.467 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -28.046 -8.764 26.656 1.00 20.00 H new ATOM 992 N LYS A 55 -28.152 -11.784 27.176 1.00 20.00 N ATOM 993 CA LYS A 55 -29.066 -12.911 27.282 1.00 20.00 C ATOM 994 C LYS A 55 -28.340 -14.127 27.850 1.00 20.00 C ATOM 995 O LYS A 55 -28.848 -14.801 28.747 1.00 20.00 O ATOM 996 CB LYS A 55 -29.660 -13.249 25.912 1.00 20.00 C ATOM 997 CG LYS A 55 -30.427 -12.099 25.272 1.00 20.00 C ATOM 998 CD LYS A 55 -31.640 -11.706 26.095 1.00 20.00 C ATOM 999 CE LYS A 55 -32.456 -10.619 25.409 1.00 20.00 C ATOM 1000 NZ LYS A 55 -33.002 -11.072 24.101 1.00 20.00 N ATOM 0 H LYS A 55 -27.773 -11.637 26.240 1.00 20.00 H new ATOM 0 HA LYS A 55 -29.877 -12.636 27.956 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -28.855 -13.553 25.243 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -30.328 -14.104 26.017 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -29.767 -11.238 25.162 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -30.745 -12.387 24.270 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -32.267 -12.582 26.261 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -31.317 -11.355 27.075 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -33.277 -10.317 26.059 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -31.831 -9.739 25.256 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -33.746 -10.415 23.789 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -32.239 -11.092 23.395 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -33.404 -12.026 24.204 1.00 20.00 H new ATOM 1014 N MET A 56 -27.139 -14.378 27.329 1.00 20.00 N ATOM 1015 CA MET A 56 -26.323 -15.520 27.746 1.00 20.00 C ATOM 1016 C MET A 56 -25.979 -15.433 29.229 1.00 20.00 C ATOM 1017 O MET A 56 -25.930 -16.443 29.927 1.00 20.00 O ATOM 1018 CB MET A 56 -25.020 -15.577 26.936 1.00 20.00 C ATOM 1019 CG MET A 56 -25.213 -15.782 25.440 1.00 20.00 C ATOM 1020 SD MET A 56 -23.673 -15.585 24.519 1.00 20.00 S ATOM 1021 CE MET A 56 -24.234 -15.906 22.849 1.00 20.00 C ATOM 0 H MET A 56 -26.705 -13.799 26.610 1.00 20.00 H new ATOM 0 HA MET A 56 -26.906 -16.423 27.565 1.00 20.00 H new ATOM 0 HB2 MET A 56 -24.468 -14.650 27.094 1.00 20.00 H new ATOM 0 HB3 MET A 56 -24.402 -16.387 27.324 1.00 20.00 H new ATOM 0 HG2 MET A 56 -25.616 -16.779 25.261 1.00 20.00 H new ATOM 0 HG3 MET A 56 -25.949 -15.069 25.070 1.00 20.00 H new ATOM 0 HE1 MET A 56 -23.529 -15.473 22.139 1.00 20.00 H new ATOM 0 HE2 MET A 56 -24.298 -16.982 22.687 1.00 20.00 H new ATOM 0 HE3 MET A 56 -25.217 -15.458 22.703 1.00 20.00 H new ATOM 1031 N ARG A 57 -25.753 -14.213 29.698 1.00 20.00 N ATOM 1032 CA ARG A 57 -25.351 -13.968 31.078 1.00 20.00 C ATOM 1033 C ARG A 57 -26.471 -14.328 32.057 1.00 20.00 C ATOM 1034 O ARG A 57 -26.213 -14.656 33.213 1.00 20.00 O ATOM 1035 CB ARG A 57 -24.945 -12.501 31.241 1.00 20.00 C ATOM 1036 CG ARG A 57 -24.386 -12.155 32.611 1.00 20.00 C ATOM 1037 CD ARG A 57 -23.947 -10.701 32.671 1.00 20.00 C ATOM 1038 NE ARG A 57 -25.038 -9.788 32.327 1.00 20.00 N ATOM 1039 CZ ARG A 57 -24.862 -8.551 31.862 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -23.637 -8.074 31.684 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -25.914 -7.794 31.575 1.00 20.00 N ATOM 0 H ARG A 57 -25.843 -13.367 29.135 1.00 20.00 H new ATOM 0 HA ARG A 57 -24.498 -14.606 31.308 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -24.199 -12.257 30.485 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -25.814 -11.872 31.047 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -25.142 -12.342 33.374 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -23.539 -12.803 32.836 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -23.584 -10.472 33.673 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -23.113 -10.545 31.987 1.00 20.00 H new ATOM 0 HE ARG A 57 -25.995 -10.120 32.451 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -22.827 -8.654 31.903 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -23.505 -7.127 31.328 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.857 -8.159 31.710 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -25.779 -6.848 31.219 1.00 20.00 H new