USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=4 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 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc=-0.00319 K(o=-0.0032,f=-0.87) USER MOD Single : A 20 SER OG : rot -24:sc= 0.236 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.014 K(o=-0.014,f=-0.86) 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 152:sc= 0 (180deg=-0.186) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -149:sc=-0.00443 (180deg=-0.454) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -29.780 0.725 0.868 1.00 20.00 N ATOM 365 CA GLU A 16 -30.199 -0.673 0.925 1.00 20.00 C ATOM 366 C GLU A 16 -29.021 -1.653 0.888 1.00 20.00 C ATOM 367 O GLU A 16 -29.120 -2.759 1.417 1.00 20.00 O ATOM 368 CB GLU A 16 -31.160 -0.975 -0.227 1.00 20.00 C ATOM 369 CG GLU A 16 -30.579 -0.694 -1.606 1.00 20.00 C ATOM 370 CD GLU A 16 -31.572 -0.950 -2.716 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.441 -0.084 -2.953 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.486 -2.015 -3.363 1.00 20.00 O ATOM 0 HA GLU A 16 -30.701 -0.814 1.882 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.456 -2.023 -0.175 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.065 -0.381 -0.097 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.247 0.343 -1.652 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.698 -1.318 -1.760 1.00 20.00 H new ATOM 379 N GLN A 17 -27.909 -1.247 0.279 1.00 20.00 N ATOM 380 CA GLN A 17 -26.732 -2.110 0.186 1.00 20.00 C ATOM 381 C GLN A 17 -26.193 -2.464 1.570 1.00 20.00 C ATOM 382 O GLN A 17 -25.749 -3.588 1.802 1.00 20.00 O ATOM 383 CB GLN A 17 -25.625 -1.454 -0.646 1.00 20.00 C ATOM 384 CG GLN A 17 -25.918 -1.394 -2.136 1.00 20.00 C ATOM 385 CD GLN A 17 -24.700 -0.998 -2.953 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.911 -1.854 -3.360 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.540 0.290 -3.214 1.00 20.00 N ATOM 0 H GLN A 17 -27.798 -0.331 -0.156 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.048 -3.027 -0.312 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.461 -0.441 -0.278 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.696 -2.003 -0.492 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.276 -2.367 -2.472 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.721 -0.679 -2.317 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.213 0.970 -2.860 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -23.743 0.603 -3.769 1.00 20.00 H new ATOM 396 N GLU A 18 -26.253 -1.516 2.495 1.00 20.00 N ATOM 397 CA GLU A 18 -25.745 -1.740 3.843 1.00 20.00 C ATOM 398 C GLU A 18 -26.706 -2.596 4.653 1.00 20.00 C ATOM 399 O GLU A 18 -26.293 -3.301 5.569 1.00 20.00 O ATOM 400 CB GLU A 18 -25.487 -0.411 4.564 1.00 20.00 C ATOM 401 CG GLU A 18 -24.138 0.223 4.244 1.00 20.00 C ATOM 402 CD GLU A 18 -23.940 0.500 2.770 1.00 20.00 C ATOM 403 OE1 GLU A 18 -24.390 1.563 2.297 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.311 -0.335 2.080 1.00 20.00 O ATOM 0 H GLU A 18 -26.646 -0.588 2.339 1.00 20.00 H new ATOM 0 HA GLU A 18 -24.798 -2.273 3.752 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.278 0.292 4.300 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -25.552 -0.576 5.640 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -24.043 1.157 4.798 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -23.343 -0.436 4.592 1.00 20.00 H new ATOM 411 N ASN A 19 -27.983 -2.542 4.299 1.00 20.00 N ATOM 412 CA ASN A 19 -29.007 -3.349 4.966 1.00 20.00 C ATOM 413 C ASN A 19 -29.058 -4.747 4.358 1.00 20.00 C ATOM 414 O ASN A 19 -29.628 -5.675 4.932 1.00 20.00 O ATOM 415 CB ASN A 19 -30.385 -2.685 4.860 1.00 20.00 C ATOM 416 CG ASN A 19 -30.505 -1.431 5.707 1.00 20.00 C ATOM 417 OD1 ASN A 19 -29.891 -1.322 6.770 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.298 -0.472 5.244 1.00 20.00 N ATOM 0 H ASN A 19 -28.340 -1.947 3.551 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.741 -3.426 6.020 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.582 -2.433 3.818 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.151 -3.398 5.166 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.415 0.392 5.773 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.790 -0.600 4.359 1.00 20.00 H new ATOM 425 N SER A 20 -28.444 -4.882 3.192 1.00 20.00 N ATOM 426 CA SER A 20 -28.435 -6.135 2.449 1.00 20.00 C ATOM 427 C SER A 20 -27.541 -7.180 3.119 1.00 20.00 C ATOM 428 O SER A 20 -27.558 -8.350 2.735 1.00 20.00 O ATOM 429 CB SER A 20 -27.974 -5.890 1.007 1.00 20.00 C ATOM 430 OG SER A 20 -28.065 -7.071 0.225 1.00 20.00 O ATOM 0 H SER A 20 -27.937 -4.125 2.733 1.00 20.00 H new ATOM 0 HA SER A 20 -29.453 -6.525 2.440 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.584 -5.106 0.557 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.945 -5.532 1.009 1.00 20.00 H new ATOM 0 HG SER A 20 -28.023 -7.855 0.811 1.00 20.00 H new ATOM 436 N TYR A 21 -26.757 -6.751 4.111 1.00 20.00 N ATOM 437 CA TYR A 21 -25.793 -7.628 4.781 1.00 20.00 C ATOM 438 C TYR A 21 -26.455 -8.901 5.317 1.00 20.00 C ATOM 439 O TYR A 21 -25.824 -9.951 5.376 1.00 20.00 O ATOM 440 CB TYR A 21 -25.076 -6.882 5.920 1.00 20.00 C ATOM 441 CG TYR A 21 -25.933 -6.584 7.137 1.00 20.00 C ATOM 442 CD1 TYR A 21 -26.990 -5.689 7.068 1.00 20.00 C ATOM 443 CD2 TYR A 21 -25.670 -7.189 8.362 1.00 20.00 C ATOM 444 CE1 TYR A 21 -27.760 -5.404 8.177 1.00 20.00 C ATOM 445 CE2 TYR A 21 -26.438 -6.911 9.477 1.00 20.00 C ATOM 446 CZ TYR A 21 -27.482 -6.016 9.378 1.00 20.00 C ATOM 447 OH TYR A 21 -28.250 -5.730 10.484 1.00 20.00 O ATOM 0 H TYR A 21 -26.771 -5.796 4.470 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.057 -7.925 4.034 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.217 -7.474 6.236 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.688 -5.941 5.529 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -27.215 -5.206 6.129 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.851 -7.888 8.443 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -28.578 -4.703 8.103 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -26.222 -7.392 10.420 1.00 20.00 H new ATOM 0 HH TYR A 21 -27.924 -6.246 11.251 1.00 20.00 H new ATOM 457 N ASN A 22 -27.728 -8.808 5.685 1.00 20.00 N ATOM 458 CA ASN A 22 -28.467 -9.966 6.191 1.00 20.00 C ATOM 459 C ASN A 22 -28.550 -11.063 5.134 1.00 20.00 C ATOM 460 O ASN A 22 -28.385 -12.243 5.436 1.00 20.00 O ATOM 461 CB ASN A 22 -29.877 -9.562 6.636 1.00 20.00 C ATOM 462 CG ASN A 22 -29.869 -8.698 7.884 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.016 -8.853 8.757 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.814 -7.774 7.972 1.00 20.00 N ATOM 0 H ASN A 22 -28.272 -7.946 5.644 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.925 -10.353 7.054 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -30.369 -9.021 5.827 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -30.466 -10.460 6.824 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.852 -7.159 8.785 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -31.503 -7.677 7.227 1.00 20.00 H new ATOM 471 N GLU A 23 -28.788 -10.666 3.892 1.00 20.00 N ATOM 472 CA GLU A 23 -28.883 -11.616 2.792 1.00 20.00 C ATOM 473 C GLU A 23 -27.488 -11.957 2.275 1.00 20.00 C ATOM 474 O GLU A 23 -27.229 -13.077 1.834 1.00 20.00 O ATOM 475 CB GLU A 23 -29.741 -11.039 1.661 1.00 20.00 C ATOM 476 CG GLU A 23 -29.953 -11.999 0.502 1.00 20.00 C ATOM 477 CD GLU A 23 -30.769 -11.387 -0.616 1.00 20.00 C ATOM 478 OE1 GLU A 23 -32.013 -11.502 -0.585 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.175 -10.790 -1.539 1.00 20.00 O ATOM 0 H GLU A 23 -28.919 -9.692 3.620 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.357 -12.527 3.156 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -30.712 -10.751 2.064 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.269 -10.131 1.287 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.984 -12.311 0.111 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.455 -12.896 0.865 1.00 20.00 H new ATOM 486 N TRP A 24 -26.592 -10.983 2.351 1.00 20.00 N ATOM 487 CA TRP A 24 -25.219 -11.162 1.907 1.00 20.00 C ATOM 488 C TRP A 24 -24.505 -12.183 2.790 1.00 20.00 C ATOM 489 O TRP A 24 -23.688 -12.973 2.314 1.00 20.00 O ATOM 490 CB TRP A 24 -24.477 -9.821 1.934 1.00 20.00 C ATOM 491 CG TRP A 24 -23.124 -9.868 1.293 1.00 20.00 C ATOM 492 CD1 TRP A 24 -22.838 -9.656 -0.025 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.875 -10.143 1.937 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.489 -9.785 -0.240 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.875 -10.084 0.947 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.505 -10.435 3.253 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.532 -10.303 1.234 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -20.171 -10.653 3.535 1.00 20.00 C ATOM 499 CH2 TRP A 24 -19.198 -10.587 2.530 1.00 20.00 C ATOM 0 H TRP A 24 -26.795 -10.054 2.719 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.227 -11.536 0.883 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -25.083 -9.070 1.427 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -24.368 -9.497 2.969 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.567 -9.421 -0.787 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -21.019 -9.676 -1.139 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.249 -10.489 4.034 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.779 -10.251 0.461 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.873 -10.878 4.548 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -18.163 -10.764 2.783 1.00 20.00 H new ATOM 510 N LEU A 25 -24.837 -12.175 4.077 1.00 20.00 N ATOM 511 CA LEU A 25 -24.244 -13.103 5.030 1.00 20.00 C ATOM 512 C LEU A 25 -24.620 -14.536 4.651 1.00 20.00 C ATOM 513 O LEU A 25 -23.807 -15.454 4.765 1.00 20.00 O ATOM 514 CB LEU A 25 -24.713 -12.763 6.456 1.00 20.00 C ATOM 515 CG LEU A 25 -23.812 -13.235 7.613 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.911 -14.737 7.823 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.363 -12.831 7.370 1.00 20.00 C ATOM 0 H LEU A 25 -25.517 -11.533 4.484 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.158 -13.013 5.002 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.822 -11.681 6.529 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.704 -13.193 6.600 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.166 -12.745 8.520 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.262 -15.033 8.647 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.941 -15.004 8.059 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.601 -15.253 6.914 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.745 -13.175 8.200 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.010 -13.283 6.443 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -22.296 -11.746 7.293 1.00 20.00 H new ATOM 529 N ARG A 26 -25.845 -14.708 4.162 1.00 20.00 N ATOM 530 CA ARG A 26 -26.325 -16.009 3.704 1.00 20.00 C ATOM 531 C ARG A 26 -25.458 -16.517 2.556 1.00 20.00 C ATOM 532 O ARG A 26 -25.174 -17.714 2.449 1.00 20.00 O ATOM 533 CB ARG A 26 -27.783 -15.901 3.245 1.00 20.00 C ATOM 534 CG ARG A 26 -28.398 -17.225 2.814 1.00 20.00 C ATOM 535 CD ARG A 26 -29.678 -17.013 2.019 1.00 20.00 C ATOM 536 NE ARG A 26 -30.641 -16.174 2.734 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.569 -15.424 2.135 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.679 -15.420 0.812 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.394 -14.680 2.860 1.00 20.00 N ATOM 0 H ARG A 26 -26.528 -13.956 4.072 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.264 -16.714 4.533 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.378 -15.483 4.057 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.840 -15.198 2.414 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.681 -17.781 2.210 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.611 -17.832 3.694 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.437 -16.551 1.062 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.132 -17.979 1.801 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.601 -16.162 3.753 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.052 -15.992 0.246 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.390 -14.845 0.361 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.320 -14.680 3.877 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.102 -14.108 2.400 1.00 20.00 H new ATOM 553 N ALA A 27 -25.031 -15.593 1.705 1.00 20.00 N ATOM 554 CA ALA A 27 -24.192 -15.924 0.565 1.00 20.00 C ATOM 555 C ALA A 27 -22.795 -16.320 1.017 1.00 20.00 C ATOM 556 O ALA A 27 -22.114 -17.110 0.362 1.00 20.00 O ATOM 557 CB ALA A 27 -24.121 -14.751 -0.395 1.00 20.00 C ATOM 0 H ALA A 27 -25.255 -14.601 1.786 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.638 -16.774 0.049 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.489 -15.013 -1.244 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.123 -14.510 -0.749 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.699 -13.886 0.118 1.00 20.00 H new ATOM 563 N LYS A 28 -22.381 -15.776 2.151 1.00 20.00 N ATOM 564 CA LYS A 28 -21.054 -16.038 2.679 1.00 20.00 C ATOM 565 C LYS A 28 -21.033 -17.353 3.452 1.00 20.00 C ATOM 566 O LYS A 28 -19.996 -18.011 3.548 1.00 20.00 O ATOM 567 CB LYS A 28 -20.592 -14.878 3.575 1.00 20.00 C ATOM 568 CG LYS A 28 -19.113 -14.929 3.955 1.00 20.00 C ATOM 569 CD LYS A 28 -18.214 -14.258 2.913 1.00 20.00 C ATOM 570 CE LYS A 28 -18.363 -14.866 1.522 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.387 -14.303 0.554 1.00 20.00 N ATOM 0 H LYS A 28 -22.947 -15.149 2.723 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.362 -16.123 1.841 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.791 -13.937 3.063 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.190 -14.878 4.487 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -18.972 -14.441 4.919 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.809 -15.969 4.077 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.451 -13.195 2.867 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -17.174 -14.340 3.230 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.229 -15.946 1.584 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.375 -14.691 1.158 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.526 -14.746 -0.377 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.531 -13.276 0.474 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.420 -14.492 0.886 1.00 20.00 H new ATOM 585 N VAL A 29 -22.179 -17.738 4.006 1.00 20.00 N ATOM 586 CA VAL A 29 -22.288 -19.013 4.697 1.00 20.00 C ATOM 587 C VAL A 29 -22.135 -20.163 3.708 1.00 20.00 C ATOM 588 O VAL A 29 -21.145 -20.895 3.751 1.00 20.00 O ATOM 589 CB VAL A 29 -23.624 -19.157 5.462 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.749 -20.542 6.081 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.744 -18.090 6.535 1.00 20.00 C ATOM 0 H VAL A 29 -23.038 -17.188 3.989 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.484 -19.047 5.432 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.436 -19.025 4.747 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.697 -20.618 6.614 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -23.713 -21.296 5.295 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.927 -20.704 6.778 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.691 -18.209 7.062 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.920 -18.191 7.242 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.707 -17.104 6.073 1.00 20.00 H new ATOM 772 N HIS A 42 -32.697 -32.270 14.545 1.00 20.00 N ATOM 773 CA HIS A 42 -34.142 -32.237 14.353 1.00 20.00 C ATOM 774 C HIS A 42 -34.760 -31.027 15.043 1.00 20.00 C ATOM 775 O HIS A 42 -35.789 -30.518 14.604 1.00 20.00 O ATOM 776 CB HIS A 42 -34.789 -33.535 14.847 1.00 20.00 C ATOM 777 CG HIS A 42 -36.238 -33.665 14.471 1.00 20.00 C ATOM 778 ND1 HIS A 42 -36.650 -34.059 13.216 1.00 20.00 N ATOM 779 CD2 HIS A 42 -37.371 -33.449 15.184 1.00 20.00 C ATOM 780 CE1 HIS A 42 -37.969 -34.080 13.173 1.00 20.00 C ATOM 781 NE2 HIS A 42 -38.429 -33.715 14.353 1.00 20.00 N ATOM 0 HA HIS A 42 -34.334 -32.148 13.284 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -34.239 -34.383 14.440 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -34.698 -33.587 15.932 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -37.429 -33.128 16.213 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -38.569 -34.350 12.317 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -39.414 -33.642 14.607 1.00 20.00 H new ATOM 790 N ASP A 43 -34.124 -30.560 16.111 1.00 20.00 N ATOM 791 CA ASP A 43 -34.587 -29.358 16.803 1.00 20.00 C ATOM 792 C ASP A 43 -34.308 -28.132 15.955 1.00 20.00 C ATOM 793 O ASP A 43 -35.030 -27.136 16.020 1.00 20.00 O ATOM 794 CB ASP A 43 -33.917 -29.196 18.172 1.00 20.00 C ATOM 795 CG ASP A 43 -34.374 -30.229 19.178 1.00 20.00 C ATOM 796 OD1 ASP A 43 -33.768 -31.321 19.237 1.00 20.00 O ATOM 797 OD2 ASP A 43 -35.342 -29.957 19.919 1.00 20.00 O ATOM 0 H ASP A 43 -33.292 -30.990 16.516 1.00 20.00 H new ATOM 0 HA ASP A 43 -35.660 -29.463 16.962 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -32.836 -29.267 18.052 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -34.130 -28.200 18.560 1.00 20.00 H new ATOM 802 N GLU A 44 -33.264 -28.216 15.144 1.00 20.00 N ATOM 803 CA GLU A 44 -32.900 -27.122 14.269 1.00 20.00 C ATOM 804 C GLU A 44 -33.818 -27.094 13.056 1.00 20.00 C ATOM 805 O GLU A 44 -34.122 -26.030 12.529 1.00 20.00 O ATOM 806 CB GLU A 44 -31.436 -27.228 13.837 1.00 20.00 C ATOM 807 CG GLU A 44 -31.018 -26.144 12.860 1.00 20.00 C ATOM 808 CD GLU A 44 -29.525 -26.084 12.654 1.00 20.00 C ATOM 809 OE1 GLU A 44 -28.831 -25.525 13.526 1.00 20.00 O ATOM 810 OE2 GLU A 44 -29.040 -26.580 11.617 1.00 20.00 O ATOM 0 H GLU A 44 -32.656 -29.033 15.077 1.00 20.00 H new ATOM 0 HA GLU A 44 -33.018 -26.188 14.819 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -30.799 -27.177 14.720 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -31.269 -28.203 13.380 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -31.505 -26.319 11.901 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -31.369 -25.178 13.224 1.00 20.00 H new ATOM 817 N VAL A 45 -34.264 -28.268 12.625 1.00 20.00 N ATOM 818 CA VAL A 45 -35.235 -28.363 11.540 1.00 20.00 C ATOM 819 C VAL A 45 -36.486 -27.568 11.895 1.00 20.00 C ATOM 820 O VAL A 45 -36.949 -26.735 11.115 1.00 20.00 O ATOM 821 CB VAL A 45 -35.618 -29.828 11.242 1.00 20.00 C ATOM 822 CG1 VAL A 45 -36.697 -29.903 10.172 1.00 20.00 C ATOM 823 CG2 VAL A 45 -34.396 -30.618 10.810 1.00 20.00 C ATOM 0 H VAL A 45 -33.970 -29.166 13.009 1.00 20.00 H new ATOM 0 HA VAL A 45 -34.773 -27.948 10.644 1.00 20.00 H new ATOM 0 HB VAL A 45 -36.015 -30.265 12.158 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -36.948 -30.946 9.981 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -37.586 -29.372 10.514 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -36.331 -29.444 9.254 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -34.683 -31.649 10.604 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -33.974 -30.172 9.909 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -33.652 -30.601 11.606 1.00 20.00 H new ATOM 833 N GLU A 46 -36.998 -27.812 13.097 1.00 20.00 N ATOM 834 CA GLU A 46 -38.164 -27.096 13.608 1.00 20.00 C ATOM 835 C GLU A 46 -37.902 -25.591 13.615 1.00 20.00 C ATOM 836 O GLU A 46 -38.777 -24.788 13.289 1.00 20.00 O ATOM 837 CB GLU A 46 -38.499 -27.563 15.030 1.00 20.00 C ATOM 838 CG GLU A 46 -38.535 -29.076 15.192 1.00 20.00 C ATOM 839 CD GLU A 46 -39.572 -29.744 14.313 1.00 20.00 C ATOM 840 OE1 GLU A 46 -39.258 -30.067 13.152 1.00 20.00 O ATOM 841 OE2 GLU A 46 -40.706 -29.961 14.787 1.00 20.00 O ATOM 0 H GLU A 46 -36.620 -28.507 13.741 1.00 20.00 H new ATOM 0 HA GLU A 46 -39.009 -27.310 12.954 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -37.762 -27.151 15.720 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -39.468 -27.154 15.317 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -37.552 -29.484 14.958 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -38.740 -29.319 16.235 1.00 20.00 H new ATOM 848 N ARG A 47 -36.679 -25.225 13.979 1.00 20.00 N ATOM 849 CA ARG A 47 -36.268 -23.826 14.034 1.00 20.00 C ATOM 850 C ARG A 47 -36.210 -23.221 12.631 1.00 20.00 C ATOM 851 O ARG A 47 -36.693 -22.109 12.404 1.00 20.00 O ATOM 852 CB ARG A 47 -34.900 -23.712 14.716 1.00 20.00 C ATOM 853 CG ARG A 47 -34.385 -22.286 14.838 1.00 20.00 C ATOM 854 CD ARG A 47 -32.978 -22.250 15.411 1.00 20.00 C ATOM 855 NE ARG A 47 -32.464 -20.888 15.524 1.00 20.00 N ATOM 856 CZ ARG A 47 -31.191 -20.591 15.782 1.00 20.00 C ATOM 857 NH1 ARG A 47 -30.297 -21.557 15.937 1.00 20.00 N ATOM 858 NH2 ARG A 47 -30.811 -19.324 15.868 1.00 20.00 N ATOM 0 H ARG A 47 -35.947 -25.885 14.243 1.00 20.00 H new ATOM 0 HA ARG A 47 -37.005 -23.271 14.614 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -34.965 -24.150 15.712 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -34.176 -24.302 14.155 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -34.392 -21.810 13.857 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -35.054 -21.710 15.477 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -32.976 -22.720 16.394 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -32.314 -22.836 14.776 1.00 20.00 H new ATOM 0 HE ARG A 47 -33.120 -20.117 15.398 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -30.582 -22.533 15.859 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -29.324 -21.324 16.134 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -31.493 -18.577 15.737 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -29.837 -19.096 16.066 1.00 20.00 H new ATOM 872 N ARG A 48 -35.624 -23.964 11.695 1.00 20.00 N ATOM 873 CA ARG A 48 -35.483 -23.507 10.314 1.00 20.00 C ATOM 874 C ARG A 48 -36.840 -23.252 9.681 1.00 20.00 C ATOM 875 O ARG A 48 -36.992 -22.332 8.886 1.00 20.00 O ATOM 876 CB ARG A 48 -34.738 -24.535 9.457 1.00 20.00 C ATOM 877 CG ARG A 48 -33.297 -24.791 9.868 1.00 20.00 C ATOM 878 CD ARG A 48 -32.640 -25.786 8.925 1.00 20.00 C ATOM 879 NE ARG A 48 -31.277 -26.123 9.329 1.00 20.00 N ATOM 880 CZ ARG A 48 -30.367 -26.640 8.505 1.00 20.00 C ATOM 881 NH1 ARG A 48 -30.661 -26.851 7.227 1.00 20.00 N ATOM 882 NH2 ARG A 48 -29.166 -26.954 8.964 1.00 20.00 N ATOM 0 H ARG A 48 -35.237 -24.891 11.869 1.00 20.00 H new ATOM 0 HA ARG A 48 -34.911 -22.580 10.350 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -35.283 -25.478 9.492 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -34.750 -24.198 8.420 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -32.740 -23.854 9.863 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -33.267 -25.174 10.888 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -33.240 -26.696 8.886 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -32.625 -25.371 7.917 1.00 20.00 H new ATOM 0 HE ARG A 48 -31.007 -25.953 10.298 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -31.588 -26.617 6.872 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -29.960 -27.247 6.601 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -28.939 -26.800 9.946 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -28.467 -27.350 8.335 1.00 20.00 H new ATOM 896 N MET A 49 -37.821 -24.069 10.046 1.00 20.00 N ATOM 897 CA MET A 49 -39.157 -23.982 9.464 1.00 20.00 C ATOM 898 C MET A 49 -39.767 -22.600 9.651 1.00 20.00 C ATOM 899 O MET A 49 -40.518 -22.129 8.797 1.00 20.00 O ATOM 900 CB MET A 49 -40.070 -25.047 10.064 1.00 20.00 C ATOM 901 CG MET A 49 -39.685 -26.457 9.654 1.00 20.00 C ATOM 902 SD MET A 49 -39.752 -26.706 7.868 1.00 20.00 S ATOM 903 CE MET A 49 -39.216 -28.411 7.749 1.00 20.00 C ATOM 0 H MET A 49 -37.716 -24.803 10.746 1.00 20.00 H new ATOM 0 HA MET A 49 -39.059 -24.158 8.393 1.00 20.00 H new ATOM 0 HB2 MET A 49 -40.043 -24.970 11.151 1.00 20.00 H new ATOM 0 HB3 MET A 49 -41.097 -24.853 9.756 1.00 20.00 H new ATOM 0 HG2 MET A 49 -38.677 -26.672 10.009 1.00 20.00 H new ATOM 0 HG3 MET A 49 -40.353 -27.168 10.141 1.00 20.00 H new ATOM 0 HE1 MET A 49 -39.651 -28.868 6.860 1.00 20.00 H new ATOM 0 HE2 MET A 49 -38.129 -28.447 7.680 1.00 20.00 H new ATOM 0 HE3 MET A 49 -39.542 -28.957 8.634 1.00 20.00 H new ATOM 913 N ALA A 50 -39.426 -21.946 10.754 1.00 20.00 N ATOM 914 CA ALA A 50 -39.908 -20.599 11.023 1.00 20.00 C ATOM 915 C ALA A 50 -39.344 -19.609 10.010 1.00 20.00 C ATOM 916 O ALA A 50 -40.055 -18.734 9.518 1.00 20.00 O ATOM 917 CB ALA A 50 -39.541 -20.183 12.435 1.00 20.00 C ATOM 0 H ALA A 50 -38.817 -22.328 11.477 1.00 20.00 H new ATOM 0 HA ALA A 50 -40.994 -20.597 10.929 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -39.907 -19.174 12.624 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -39.995 -20.873 13.147 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -38.457 -20.203 12.550 1.00 20.00 H new ATOM 923 N GLU A 51 -38.070 -19.767 9.686 1.00 20.00 N ATOM 924 CA GLU A 51 -37.414 -18.899 8.716 1.00 20.00 C ATOM 925 C GLU A 51 -37.744 -19.352 7.300 1.00 20.00 C ATOM 926 O GLU A 51 -37.660 -18.580 6.344 1.00 20.00 O ATOM 927 CB GLU A 51 -35.896 -18.916 8.908 1.00 20.00 C ATOM 928 CG GLU A 51 -35.434 -18.521 10.302 1.00 20.00 C ATOM 929 CD GLU A 51 -33.931 -18.357 10.380 1.00 20.00 C ATOM 930 OE1 GLU A 51 -33.203 -19.348 10.150 1.00 20.00 O ATOM 931 OE2 GLU A 51 -33.467 -17.231 10.661 1.00 20.00 O ATOM 0 H GLU A 51 -37.467 -20.489 10.081 1.00 20.00 H new ATOM 0 HA GLU A 51 -37.779 -17.884 8.872 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -35.525 -19.917 8.686 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -35.443 -18.240 8.183 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -35.915 -17.587 10.592 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -35.753 -19.279 11.017 1.00 20.00 H new ATOM 938 N ARG A 52 -38.132 -20.613 7.184 1.00 20.00 N ATOM 939 CA ARG A 52 -38.386 -21.235 5.896 1.00 20.00 C ATOM 940 C ARG A 52 -39.589 -20.600 5.209 1.00 20.00 C ATOM 941 O ARG A 52 -39.718 -20.661 3.989 1.00 20.00 O ATOM 942 CB ARG A 52 -38.601 -22.738 6.070 1.00 20.00 C ATOM 943 CG ARG A 52 -38.509 -23.526 4.774 1.00 20.00 C ATOM 944 CD ARG A 52 -38.714 -25.009 5.018 1.00 20.00 C ATOM 945 NE ARG A 52 -38.513 -25.798 3.805 1.00 20.00 N ATOM 946 CZ ARG A 52 -39.065 -26.992 3.597 1.00 20.00 C ATOM 947 NH1 ARG A 52 -39.866 -27.525 4.511 1.00 20.00 N ATOM 948 NH2 ARG A 52 -38.818 -27.653 2.474 1.00 20.00 N ATOM 0 H ARG A 52 -38.279 -21.233 7.981 1.00 20.00 H new ATOM 0 HA ARG A 52 -37.514 -21.075 5.262 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -37.860 -23.123 6.771 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -39.581 -22.906 6.517 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -39.259 -23.163 4.071 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -37.535 -23.362 4.314 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -38.023 -25.348 5.789 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -39.722 -25.178 5.397 1.00 20.00 H new ATOM 0 HE ARG A 52 -37.915 -25.412 3.075 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -40.060 -27.020 5.376 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -40.287 -28.440 4.349 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.204 -27.247 1.768 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -39.242 -28.567 2.317 1.00 20.00 H new ATOM 962 N PHE A 53 -40.461 -19.981 5.997 1.00 20.00 N ATOM 963 CA PHE A 53 -41.591 -19.242 5.450 1.00 20.00 C ATOM 964 C PHE A 53 -41.099 -18.112 4.553 1.00 20.00 C ATOM 965 O PHE A 53 -41.704 -17.809 3.525 1.00 20.00 O ATOM 966 CB PHE A 53 -42.465 -18.687 6.574 1.00 20.00 C ATOM 967 CG PHE A 53 -43.190 -19.752 7.350 1.00 20.00 C ATOM 968 CD1 PHE A 53 -44.148 -20.544 6.737 1.00 20.00 C ATOM 969 CD2 PHE A 53 -42.911 -19.963 8.691 1.00 20.00 C ATOM 970 CE1 PHE A 53 -44.813 -21.526 7.446 1.00 20.00 C ATOM 971 CE2 PHE A 53 -43.573 -20.943 9.405 1.00 20.00 C ATOM 972 CZ PHE A 53 -44.525 -21.725 8.781 1.00 20.00 C ATOM 0 H PHE A 53 -40.407 -19.977 7.016 1.00 20.00 H new ATOM 0 HA PHE A 53 -42.194 -19.926 4.852 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -41.842 -18.111 7.258 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -43.195 -17.997 6.150 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -44.377 -20.392 5.693 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -42.167 -19.354 9.184 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -45.557 -22.137 6.956 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -43.346 -21.097 10.450 1.00 20.00 H new ATOM 0 HZ PHE A 53 -45.044 -22.492 9.337 1.00 20.00 H new ATOM 982 N ALA A 54 -39.987 -17.504 4.940 1.00 20.00 N ATOM 983 CA ALA A 54 -39.358 -16.475 4.130 1.00 20.00 C ATOM 984 C ALA A 54 -38.452 -17.114 3.088 1.00 20.00 C ATOM 985 O ALA A 54 -38.299 -16.601 1.979 1.00 20.00 O ATOM 986 CB ALA A 54 -38.563 -15.525 5.008 1.00 20.00 C ATOM 0 H ALA A 54 -39.501 -17.708 5.814 1.00 20.00 H new ATOM 0 HA ALA A 54 -40.135 -15.906 3.619 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -38.097 -14.759 4.387 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -39.230 -15.052 5.729 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -37.790 -16.081 5.539 1.00 20.00 H new ATOM 992 N LYS A 55 -37.862 -18.248 3.457 1.00 20.00 N ATOM 993 CA LYS A 55 -36.989 -18.998 2.562 1.00 20.00 C ATOM 994 C LYS A 55 -37.725 -19.371 1.281 1.00 20.00 C ATOM 995 O LYS A 55 -37.154 -19.337 0.201 1.00 20.00 O ATOM 996 CB LYS A 55 -36.481 -20.268 3.248 1.00 20.00 C ATOM 997 CG LYS A 55 -35.407 -21.011 2.462 1.00 20.00 C ATOM 998 CD LYS A 55 -34.063 -20.307 2.533 1.00 20.00 C ATOM 999 CE LYS A 55 -33.460 -20.406 3.926 1.00 20.00 C ATOM 1000 NZ LYS A 55 -32.158 -19.701 4.022 1.00 20.00 N ATOM 0 H LYS A 55 -37.975 -18.670 4.379 1.00 20.00 H new ATOM 0 HA LYS A 55 -36.139 -18.363 2.311 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -36.083 -20.005 4.228 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -37.323 -20.939 3.416 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -35.307 -22.024 2.852 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -35.716 -21.100 1.420 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -33.380 -20.748 1.807 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -34.184 -19.259 2.261 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -34.155 -19.984 4.652 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -33.324 -21.455 4.188 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -31.783 -19.794 4.988 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -31.486 -20.120 3.348 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -32.291 -18.694 3.798 1.00 20.00 H new ATOM 1014 N MET A 56 -39.005 -19.707 1.413 1.00 20.00 N ATOM 1015 CA MET A 56 -39.824 -20.096 0.265 1.00 20.00 C ATOM 1016 C MET A 56 -39.860 -18.997 -0.791 1.00 20.00 C ATOM 1017 O MET A 56 -39.987 -19.271 -1.982 1.00 20.00 O ATOM 1018 CB MET A 56 -41.256 -20.418 0.705 1.00 20.00 C ATOM 1019 CG MET A 56 -41.380 -21.662 1.569 1.00 20.00 C ATOM 1020 SD MET A 56 -40.832 -23.158 0.726 1.00 20.00 S ATOM 1021 CE MET A 56 -41.219 -24.393 1.961 1.00 20.00 C ATOM 0 H MET A 56 -39.500 -19.718 2.305 1.00 20.00 H new ATOM 0 HA MET A 56 -39.368 -20.986 -0.169 1.00 20.00 H new ATOM 0 HB2 MET A 56 -41.655 -19.566 1.256 1.00 20.00 H new ATOM 0 HB3 MET A 56 -41.877 -20.543 -0.182 1.00 20.00 H new ATOM 0 HG2 MET A 56 -40.793 -21.527 2.478 1.00 20.00 H new ATOM 0 HG3 MET A 56 -42.419 -21.783 1.876 1.00 20.00 H new ATOM 0 HE1 MET A 56 -40.507 -25.215 1.889 1.00 20.00 H new ATOM 0 HE2 MET A 56 -41.158 -23.947 2.954 1.00 20.00 H new ATOM 0 HE3 MET A 56 -42.228 -24.771 1.794 1.00 20.00 H new ATOM 1031 N ARG A 57 -39.727 -17.755 -0.351 1.00 20.00 N ATOM 1032 CA ARG A 57 -39.870 -16.618 -1.245 1.00 20.00 C ATOM 1033 C ARG A 57 -38.576 -16.336 -2.011 1.00 20.00 C ATOM 1034 O ARG A 57 -38.600 -15.715 -3.075 1.00 20.00 O ATOM 1035 CB ARG A 57 -40.309 -15.378 -0.459 1.00 20.00 C ATOM 1036 CG ARG A 57 -40.601 -14.170 -1.335 1.00 20.00 C ATOM 1037 CD ARG A 57 -41.682 -14.471 -2.362 1.00 20.00 C ATOM 1038 NE ARG A 57 -41.850 -13.379 -3.314 1.00 20.00 N ATOM 1039 CZ ARG A 57 -42.258 -13.545 -4.571 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -42.543 -14.760 -5.026 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -42.372 -12.495 -5.375 1.00 20.00 N ATOM 0 H ARG A 57 -39.521 -17.510 0.617 1.00 20.00 H new ATOM 0 HA ARG A 57 -40.638 -16.865 -1.978 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -41.201 -15.622 0.118 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -39.529 -15.117 0.256 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -40.915 -13.334 -0.710 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -39.689 -13.861 -1.846 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -41.427 -15.385 -2.899 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -42.627 -14.655 -1.851 1.00 20.00 H new ATOM 0 HE ARG A 57 -41.643 -12.431 -2.998 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -42.450 -15.569 -4.412 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -42.855 -14.884 -5.989 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -42.147 -11.562 -5.030 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -42.684 -12.621 -6.338 1.00 20.00 H new