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=-0.00964 K(o=-0.0096,f=-0.97) USER MOD Single : A 19 ASN : amide:sc= -0.0742 K(o=-0.074,f=-2!) USER MOD Single : A 20 SER OG : rot 62:sc= 1.25 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0099 USER MOD Single : A 22 ASN : amide:sc= -1.44 K(o=-1.4,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.012 (180deg=-0.2) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 49 MET CE :methyl -160:sc= -0.0774 (180deg=-0.544) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 164:sc= -0.0733 (180deg=-0.406) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.601 -1.005 1.401 1.00 20.00 N ATOM 365 CA GLU A 16 -30.710 -1.817 0.595 1.00 20.00 C ATOM 366 C GLU A 16 -29.323 -1.907 1.220 1.00 20.00 C ATOM 367 O GLU A 16 -28.707 -2.969 1.204 1.00 20.00 O ATOM 368 CB GLU A 16 -30.609 -1.238 -0.818 1.00 20.00 C ATOM 369 CG GLU A 16 -31.900 -1.354 -1.613 1.00 20.00 C ATOM 370 CD GLU A 16 -32.273 -2.793 -1.900 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.827 -3.327 -2.938 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.012 -3.398 -1.093 1.00 20.00 O ATOM 0 HA GLU A 16 -31.124 -2.824 0.546 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.325 -0.188 -0.753 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -29.812 -1.751 -1.357 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.708 -0.875 -1.060 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.794 -0.814 -2.554 1.00 20.00 H new ATOM 379 N GLN A 17 -28.844 -0.799 1.791 1.00 20.00 N ATOM 380 CA GLN A 17 -27.503 -0.761 2.376 1.00 20.00 C ATOM 381 C GLN A 17 -27.339 -1.823 3.460 1.00 20.00 C ATOM 382 O GLN A 17 -26.322 -2.518 3.511 1.00 20.00 O ATOM 383 CB GLN A 17 -27.188 0.620 2.962 1.00 20.00 C ATOM 384 CG GLN A 17 -27.031 1.722 1.927 1.00 20.00 C ATOM 385 CD GLN A 17 -26.584 3.036 2.544 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.886 3.051 3.560 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.969 4.150 1.937 1.00 20.00 N ATOM 0 H GLN A 17 -29.361 0.077 1.860 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.800 -0.970 1.569 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.984 0.898 3.653 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.269 0.553 3.545 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.305 1.411 1.176 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.980 1.870 1.411 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.547 4.100 1.098 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.688 5.057 2.309 1.00 20.00 H new ATOM 396 N GLU A 18 -28.345 -1.954 4.314 1.00 20.00 N ATOM 397 CA GLU A 18 -28.309 -2.937 5.390 1.00 20.00 C ATOM 398 C GLU A 18 -28.338 -4.351 4.817 1.00 20.00 C ATOM 399 O GLU A 18 -27.595 -5.236 5.253 1.00 20.00 O ATOM 400 CB GLU A 18 -29.495 -2.730 6.340 1.00 20.00 C ATOM 401 CG GLU A 18 -29.502 -3.678 7.528 1.00 20.00 C ATOM 402 CD GLU A 18 -30.798 -3.625 8.303 1.00 20.00 C ATOM 403 OE1 GLU A 18 -31.725 -4.393 7.968 1.00 20.00 O ATOM 404 OE2 GLU A 18 -30.897 -2.822 9.252 1.00 20.00 O ATOM 0 H GLU A 18 -29.196 -1.393 4.283 1.00 20.00 H new ATOM 0 HA GLU A 18 -27.383 -2.804 5.950 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.480 -1.703 6.706 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -30.422 -2.856 5.781 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -29.334 -4.696 7.177 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.675 -3.429 8.192 1.00 20.00 H new ATOM 411 N ASN A 19 -29.182 -4.549 3.817 1.00 20.00 N ATOM 412 CA ASN A 19 -29.328 -5.850 3.175 1.00 20.00 C ATOM 413 C ASN A 19 -28.061 -6.229 2.417 1.00 20.00 C ATOM 414 O ASN A 19 -27.765 -7.412 2.242 1.00 20.00 O ATOM 415 CB ASN A 19 -30.519 -5.841 2.214 1.00 20.00 C ATOM 416 CG ASN A 19 -31.857 -5.737 2.923 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.948 -5.235 4.044 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.910 -6.192 2.267 1.00 20.00 N ATOM 0 H ASN A 19 -29.781 -3.821 3.429 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.503 -6.590 3.956 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.415 -5.004 1.524 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.502 -6.752 1.615 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.837 -6.134 2.688 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.795 -6.601 1.340 1.00 20.00 H new ATOM 425 N SER A 20 -27.306 -5.215 1.997 1.00 20.00 N ATOM 426 CA SER A 20 -26.113 -5.422 1.182 1.00 20.00 C ATOM 427 C SER A 20 -25.067 -6.254 1.909 1.00 20.00 C ATOM 428 O SER A 20 -24.285 -6.954 1.277 1.00 20.00 O ATOM 429 CB SER A 20 -25.504 -4.081 0.761 1.00 20.00 C ATOM 430 OG SER A 20 -26.424 -3.319 -0.001 1.00 20.00 O ATOM 0 H SER A 20 -27.502 -4.237 2.210 1.00 20.00 H new ATOM 0 HA SER A 20 -26.425 -5.971 0.294 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.207 -3.519 1.647 1.00 20.00 H new ATOM 0 HB3 SER A 20 -24.600 -4.256 0.177 1.00 20.00 H new ATOM 0 HG SER A 20 -27.210 -3.113 0.546 1.00 20.00 H new ATOM 436 N TYR A 21 -25.027 -6.170 3.232 1.00 20.00 N ATOM 437 CA TYR A 21 -24.087 -6.981 3.987 1.00 20.00 C ATOM 438 C TYR A 21 -24.791 -8.144 4.678 1.00 20.00 C ATOM 439 O TYR A 21 -24.221 -9.224 4.810 1.00 20.00 O ATOM 440 CB TYR A 21 -23.287 -6.138 4.992 1.00 20.00 C ATOM 441 CG TYR A 21 -24.104 -5.455 6.069 1.00 20.00 C ATOM 442 CD1 TYR A 21 -24.424 -6.116 7.250 1.00 20.00 C ATOM 443 CD2 TYR A 21 -24.532 -4.146 5.915 1.00 20.00 C ATOM 444 CE1 TYR A 21 -25.153 -5.490 8.240 1.00 20.00 C ATOM 445 CE2 TYR A 21 -25.259 -3.512 6.904 1.00 20.00 C ATOM 446 CZ TYR A 21 -25.567 -4.190 8.063 1.00 20.00 C ATOM 447 OH TYR A 21 -26.292 -3.565 9.051 1.00 20.00 O ATOM 0 H TYR A 21 -25.622 -5.561 3.794 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.375 -7.398 3.275 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -22.550 -6.781 5.473 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.735 -5.376 4.442 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -24.097 -7.135 7.394 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.293 -3.613 5.007 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -25.398 -6.018 9.150 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -25.584 -2.491 6.769 1.00 20.00 H new ATOM 0 HH TYR A 21 -26.506 -2.650 8.771 1.00 20.00 H new ATOM 457 N ASN A 22 -26.034 -7.932 5.102 1.00 20.00 N ATOM 458 CA ASN A 22 -26.777 -8.975 5.804 1.00 20.00 C ATOM 459 C ASN A 22 -27.082 -10.158 4.895 1.00 20.00 C ATOM 460 O ASN A 22 -26.614 -11.266 5.149 1.00 20.00 O ATOM 461 CB ASN A 22 -28.073 -8.430 6.415 1.00 20.00 C ATOM 462 CG ASN A 22 -27.845 -7.775 7.763 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.928 -8.142 8.495 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.682 -6.815 8.111 1.00 20.00 N ATOM 0 H ASN A 22 -26.544 -7.058 4.974 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.137 -9.324 6.614 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.517 -7.705 5.732 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.790 -9.244 6.526 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.579 -6.351 9.014 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.431 -6.537 7.477 1.00 20.00 H new ATOM 471 N GLU A 23 -27.835 -9.923 3.824 1.00 20.00 N ATOM 472 CA GLU A 23 -28.243 -11.001 2.928 1.00 20.00 C ATOM 473 C GLU A 23 -27.053 -11.563 2.168 1.00 20.00 C ATOM 474 O GLU A 23 -26.991 -12.762 1.900 1.00 20.00 O ATOM 475 CB GLU A 23 -29.319 -10.522 1.952 1.00 20.00 C ATOM 476 CG GLU A 23 -30.710 -10.470 2.565 1.00 20.00 C ATOM 477 CD GLU A 23 -31.277 -11.852 2.846 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.668 -12.609 3.630 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.336 -12.191 2.282 1.00 20.00 O ATOM 0 H GLU A 23 -28.174 -8.999 3.556 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.663 -11.798 3.541 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.053 -9.530 1.588 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.336 -11.185 1.087 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.673 -9.901 3.494 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.380 -9.936 1.891 1.00 20.00 H new ATOM 486 N TRP A 24 -26.106 -10.693 1.842 1.00 20.00 N ATOM 487 CA TRP A 24 -24.900 -11.100 1.131 1.00 20.00 C ATOM 488 C TRP A 24 -24.122 -12.119 1.958 1.00 20.00 C ATOM 489 O TRP A 24 -23.871 -13.237 1.511 1.00 20.00 O ATOM 490 CB TRP A 24 -24.020 -9.881 0.850 1.00 20.00 C ATOM 491 CG TRP A 24 -23.039 -10.076 -0.265 1.00 20.00 C ATOM 492 CD1 TRP A 24 -22.006 -10.969 -0.314 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.995 -9.344 -1.493 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.330 -10.841 -1.502 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.918 -9.850 -2.243 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.765 -8.310 -2.034 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -21.594 -9.356 -3.503 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.442 -7.822 -3.285 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.364 -8.345 -4.008 1.00 20.00 C ATOM 0 H TRP A 24 -26.150 -9.697 2.059 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.189 -11.557 0.184 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.660 -9.032 0.611 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.475 -9.624 1.758 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.758 -11.672 0.467 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.521 -11.394 -1.787 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.598 -7.900 -1.483 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -20.762 -9.758 -4.063 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -24.031 -7.024 -3.712 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.136 -7.942 -4.984 1.00 20.00 H new ATOM 510 N LEU A 25 -23.772 -11.728 3.177 1.00 20.00 N ATOM 511 CA LEU A 25 -23.008 -12.588 4.070 1.00 20.00 C ATOM 512 C LEU A 25 -23.814 -13.832 4.426 1.00 20.00 C ATOM 513 O LEU A 25 -23.294 -14.946 4.411 1.00 20.00 O ATOM 514 CB LEU A 25 -22.620 -11.816 5.338 1.00 20.00 C ATOM 515 CG LEU A 25 -21.783 -12.590 6.363 1.00 20.00 C ATOM 516 CD1 LEU A 25 -20.469 -13.051 5.754 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.524 -11.730 7.590 1.00 20.00 C ATOM 0 H LEU A 25 -24.007 -10.817 3.571 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.097 -12.904 3.562 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.065 -10.926 5.042 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.533 -11.475 5.826 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.346 -13.473 6.665 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -19.894 -13.598 6.501 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -20.671 -13.702 4.904 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -19.899 -12.184 5.420 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.929 -12.292 8.309 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -20.983 -10.830 7.296 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -22.474 -11.450 8.045 1.00 20.00 H new ATOM 529 N ARG A 26 -25.097 -13.632 4.705 1.00 20.00 N ATOM 530 CA ARG A 26 -25.985 -14.720 5.096 1.00 20.00 C ATOM 531 C ARG A 26 -26.081 -15.772 3.994 1.00 20.00 C ATOM 532 O ARG A 26 -26.197 -16.960 4.277 1.00 20.00 O ATOM 533 CB ARG A 26 -27.375 -14.168 5.424 1.00 20.00 C ATOM 534 CG ARG A 26 -28.381 -15.220 5.860 1.00 20.00 C ATOM 535 CD ARG A 26 -29.739 -14.596 6.150 1.00 20.00 C ATOM 536 NE ARG A 26 -29.690 -13.668 7.283 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.284 -12.473 7.299 1.00 20.00 C ATOM 538 NH1 ARG A 26 -30.885 -12.008 6.212 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.245 -11.725 8.395 1.00 20.00 N ATOM 0 H ARG A 26 -25.548 -12.718 4.667 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.571 -15.198 5.984 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.280 -13.424 6.215 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.764 -13.652 4.546 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.484 -15.974 5.080 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.015 -15.730 6.751 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.091 -14.067 5.264 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.462 -15.384 6.359 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.169 -13.953 8.112 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.895 -12.565 5.357 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -31.337 -11.094 6.231 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -29.761 -12.063 9.226 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -30.699 -10.812 8.406 1.00 20.00 H new ATOM 553 N ALA A 27 -26.008 -15.330 2.746 1.00 20.00 N ATOM 554 CA ALA A 27 -26.096 -16.233 1.607 1.00 20.00 C ATOM 555 C ALA A 27 -24.926 -17.206 1.580 1.00 20.00 C ATOM 556 O ALA A 27 -25.100 -18.393 1.309 1.00 20.00 O ATOM 557 CB ALA A 27 -26.155 -15.448 0.311 1.00 20.00 C ATOM 0 H ALA A 27 -25.888 -14.348 2.496 1.00 20.00 H new ATOM 0 HA ALA A 27 -27.014 -16.812 1.712 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -26.220 -16.138 -0.530 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -27.031 -14.800 0.318 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -25.255 -14.840 0.212 1.00 20.00 H new ATOM 563 N LYS A 28 -23.735 -16.707 1.867 1.00 20.00 N ATOM 564 CA LYS A 28 -22.548 -17.551 1.864 1.00 20.00 C ATOM 565 C LYS A 28 -22.475 -18.384 3.138 1.00 20.00 C ATOM 566 O LYS A 28 -21.994 -19.517 3.118 1.00 20.00 O ATOM 567 CB LYS A 28 -21.266 -16.723 1.701 1.00 20.00 C ATOM 568 CG LYS A 28 -21.025 -16.204 0.285 1.00 20.00 C ATOM 569 CD LYS A 28 -21.968 -15.066 -0.077 1.00 20.00 C ATOM 570 CE LYS A 28 -21.778 -14.605 -1.517 1.00 20.00 C ATOM 571 NZ LYS A 28 -22.137 -15.666 -2.494 1.00 20.00 N ATOM 0 H LYS A 28 -23.563 -15.730 2.103 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.628 -18.221 1.008 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.307 -15.874 2.384 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.414 -17.333 2.001 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.994 -15.862 0.196 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.153 -17.020 -0.426 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -22.999 -15.389 0.067 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -21.800 -14.227 0.598 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -22.391 -13.722 -1.699 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -20.740 -14.309 -1.669 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -22.223 -15.249 -3.443 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -21.396 -16.395 -2.502 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -23.043 -16.097 -2.221 1.00 20.00 H new ATOM 585 N VAL A 29 -22.957 -17.822 4.239 1.00 20.00 N ATOM 586 CA VAL A 29 -22.973 -18.531 5.510 1.00 20.00 C ATOM 587 C VAL A 29 -23.990 -19.669 5.492 1.00 20.00 C ATOM 588 O VAL A 29 -23.658 -20.809 5.813 1.00 20.00 O ATOM 589 CB VAL A 29 -23.279 -17.588 6.695 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.433 -18.377 7.987 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.184 -16.544 6.843 1.00 20.00 C ATOM 0 H VAL A 29 -23.342 -16.878 4.277 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.973 -18.943 5.648 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.220 -17.079 6.488 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -23.648 -17.693 8.808 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.252 -19.088 7.883 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.509 -18.916 8.197 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -22.417 -15.889 7.683 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.230 -17.040 7.023 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.119 -15.953 5.929 1.00 20.00 H new ATOM 772 N HIS A 42 -32.535 -28.038 -6.764 1.00 20.00 N ATOM 773 CA HIS A 42 -31.798 -27.175 -7.689 1.00 20.00 C ATOM 774 C HIS A 42 -30.749 -27.949 -8.482 1.00 20.00 C ATOM 775 O HIS A 42 -30.308 -27.496 -9.535 1.00 20.00 O ATOM 776 CB HIS A 42 -31.149 -25.978 -6.964 1.00 20.00 C ATOM 777 CG HIS A 42 -30.249 -26.333 -5.813 1.00 20.00 C ATOM 778 ND1 HIS A 42 -30.604 -26.127 -4.498 1.00 20.00 N ATOM 779 CD2 HIS A 42 -28.995 -26.850 -5.783 1.00 20.00 C ATOM 780 CE1 HIS A 42 -29.614 -26.497 -3.710 1.00 20.00 C ATOM 781 NE2 HIS A 42 -28.626 -26.941 -4.463 1.00 20.00 N ATOM 0 HA HIS A 42 -32.532 -26.786 -8.395 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -30.573 -25.404 -7.690 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -31.940 -25.325 -6.596 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -28.399 -27.136 -6.637 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -29.612 -26.445 -2.631 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -27.733 -27.295 -4.120 1.00 20.00 H new ATOM 790 N ASP A 43 -30.360 -29.116 -7.982 1.00 20.00 N ATOM 791 CA ASP A 43 -29.403 -29.960 -8.691 1.00 20.00 C ATOM 792 C ASP A 43 -30.043 -30.573 -9.934 1.00 20.00 C ATOM 793 O ASP A 43 -29.432 -30.609 -11.000 1.00 20.00 O ATOM 794 CB ASP A 43 -28.857 -31.062 -7.778 1.00 20.00 C ATOM 795 CG ASP A 43 -27.881 -31.977 -8.492 1.00 20.00 C ATOM 796 OD1 ASP A 43 -26.817 -31.494 -8.935 1.00 20.00 O ATOM 797 OD2 ASP A 43 -28.175 -33.185 -8.615 1.00 20.00 O ATOM 0 H ASP A 43 -30.689 -29.498 -7.095 1.00 20.00 H new ATOM 0 HA ASP A 43 -28.569 -29.330 -9.001 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -28.362 -30.607 -6.920 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -29.687 -31.653 -7.391 1.00 20.00 H new ATOM 802 N GLU A 44 -31.289 -31.019 -9.803 1.00 20.00 N ATOM 803 CA GLU A 44 -32.002 -31.616 -10.925 1.00 20.00 C ATOM 804 C GLU A 44 -32.389 -30.540 -11.931 1.00 20.00 C ATOM 805 O GLU A 44 -32.487 -30.798 -13.132 1.00 20.00 O ATOM 806 CB GLU A 44 -33.249 -32.369 -10.449 1.00 20.00 C ATOM 807 CG GLU A 44 -34.001 -33.057 -11.578 1.00 20.00 C ATOM 808 CD GLU A 44 -35.192 -33.860 -11.101 1.00 20.00 C ATOM 809 OE1 GLU A 44 -34.987 -34.880 -10.405 1.00 20.00 O ATOM 810 OE2 GLU A 44 -36.337 -33.496 -11.443 1.00 20.00 O ATOM 0 H GLU A 44 -31.823 -30.978 -8.935 1.00 20.00 H new ATOM 0 HA GLU A 44 -31.338 -32.333 -11.407 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -32.955 -33.114 -9.710 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -33.919 -31.670 -9.948 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -34.340 -32.305 -12.291 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -33.317 -33.717 -12.112 1.00 20.00 H new ATOM 817 N VAL A 45 -32.598 -29.331 -11.435 1.00 20.00 N ATOM 818 CA VAL A 45 -32.909 -28.197 -12.293 1.00 20.00 C ATOM 819 C VAL A 45 -31.746 -27.910 -13.235 1.00 20.00 C ATOM 820 O VAL A 45 -31.933 -27.764 -14.440 1.00 20.00 O ATOM 821 CB VAL A 45 -33.233 -26.935 -11.468 1.00 20.00 C ATOM 822 CG1 VAL A 45 -33.487 -25.736 -12.372 1.00 20.00 C ATOM 823 CG2 VAL A 45 -34.431 -27.188 -10.571 1.00 20.00 C ATOM 0 H VAL A 45 -32.558 -29.109 -10.440 1.00 20.00 H new ATOM 0 HA VAL A 45 -33.792 -28.459 -12.876 1.00 20.00 H new ATOM 0 HB VAL A 45 -32.368 -26.706 -10.845 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -33.713 -24.862 -11.762 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -32.600 -25.539 -12.974 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -34.331 -25.948 -13.029 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -34.650 -26.290 -9.994 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -35.296 -27.446 -11.183 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -34.209 -28.011 -9.891 1.00 20.00 H new ATOM 833 N GLU A 46 -30.545 -27.863 -12.687 1.00 20.00 N ATOM 834 CA GLU A 46 -29.357 -27.585 -13.484 1.00 20.00 C ATOM 835 C GLU A 46 -28.929 -28.803 -14.297 1.00 20.00 C ATOM 836 O GLU A 46 -28.187 -28.681 -15.268 1.00 20.00 O ATOM 837 CB GLU A 46 -28.218 -27.108 -12.587 1.00 20.00 C ATOM 838 CG GLU A 46 -28.514 -25.779 -11.914 1.00 20.00 C ATOM 839 CD GLU A 46 -27.469 -25.390 -10.898 1.00 20.00 C ATOM 840 OE1 GLU A 46 -26.354 -25.000 -11.301 1.00 20.00 O ATOM 841 OE2 GLU A 46 -27.756 -25.469 -9.689 1.00 20.00 O ATOM 0 H GLU A 46 -30.363 -28.013 -11.695 1.00 20.00 H new ATOM 0 HA GLU A 46 -29.605 -26.792 -14.189 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -28.024 -27.861 -11.823 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -27.309 -27.014 -13.181 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -28.583 -25.000 -12.674 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -29.487 -25.834 -11.425 1.00 20.00 H new ATOM 848 N ARG A 47 -29.382 -29.977 -13.896 1.00 20.00 N ATOM 849 CA ARG A 47 -29.095 -31.193 -14.646 1.00 20.00 C ATOM 850 C ARG A 47 -30.106 -31.397 -15.778 1.00 20.00 C ATOM 851 O ARG A 47 -29.767 -31.293 -16.956 1.00 20.00 O ATOM 852 CB ARG A 47 -29.091 -32.413 -13.717 1.00 20.00 C ATOM 853 CG ARG A 47 -28.816 -33.729 -14.432 1.00 20.00 C ATOM 854 CD ARG A 47 -27.466 -33.715 -15.132 1.00 20.00 C ATOM 855 NE ARG A 47 -27.218 -34.946 -15.879 1.00 20.00 N ATOM 856 CZ ARG A 47 -26.126 -35.160 -16.609 1.00 20.00 C ATOM 857 NH1 ARG A 47 -25.192 -34.219 -16.698 1.00 20.00 N ATOM 858 NH2 ARG A 47 -25.970 -36.310 -17.250 1.00 20.00 N ATOM 0 H ARG A 47 -29.948 -30.117 -13.059 1.00 20.00 H new ATOM 0 HA ARG A 47 -28.105 -31.084 -15.088 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -28.337 -32.266 -12.943 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -30.056 -32.478 -13.214 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -28.845 -34.547 -13.713 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -29.603 -33.918 -15.162 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -27.420 -32.864 -15.812 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -26.677 -33.575 -14.393 1.00 20.00 H new ATOM 0 HE ARG A 47 -27.922 -35.683 -15.839 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -25.312 -33.333 -16.207 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -24.355 -34.383 -17.257 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -26.687 -37.032 -17.184 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -25.133 -36.473 -17.809 1.00 20.00 H new ATOM 872 N ARG A 48 -31.351 -31.672 -15.408 1.00 20.00 N ATOM 873 CA ARG A 48 -32.385 -32.041 -16.370 1.00 20.00 C ATOM 874 C ARG A 48 -33.019 -30.808 -17.008 1.00 20.00 C ATOM 875 O ARG A 48 -33.158 -30.730 -18.230 1.00 20.00 O ATOM 876 CB ARG A 48 -33.463 -32.879 -15.671 1.00 20.00 C ATOM 877 CG ARG A 48 -34.648 -33.242 -16.558 1.00 20.00 C ATOM 878 CD ARG A 48 -34.230 -34.109 -17.737 1.00 20.00 C ATOM 879 NE ARG A 48 -33.609 -35.361 -17.308 1.00 20.00 N ATOM 880 CZ ARG A 48 -33.621 -36.481 -18.027 1.00 20.00 C ATOM 881 NH1 ARG A 48 -34.250 -36.522 -19.195 1.00 20.00 N ATOM 882 NH2 ARG A 48 -33.010 -37.564 -17.569 1.00 20.00 N ATOM 0 H ARG A 48 -31.672 -31.646 -14.440 1.00 20.00 H new ATOM 0 HA ARG A 48 -31.919 -32.626 -17.163 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -33.008 -33.797 -15.298 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -33.828 -32.329 -14.804 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -35.396 -33.770 -15.966 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -35.118 -32.330 -16.927 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -35.103 -34.330 -18.351 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -33.531 -33.555 -18.364 1.00 20.00 H new ATOM 0 HE ARG A 48 -33.138 -35.377 -16.403 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -34.728 -35.692 -19.546 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -34.256 -37.383 -19.741 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -32.532 -37.538 -16.668 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -33.017 -38.424 -18.117 1.00 20.00 H new ATOM 896 N MET A 49 -33.392 -29.845 -16.181 1.00 20.00 N ATOM 897 CA MET A 49 -34.120 -28.672 -16.651 1.00 20.00 C ATOM 898 C MET A 49 -33.220 -27.727 -17.438 1.00 20.00 C ATOM 899 O MET A 49 -33.712 -26.872 -18.162 1.00 20.00 O ATOM 900 CB MET A 49 -34.768 -27.933 -15.481 1.00 20.00 C ATOM 901 CG MET A 49 -35.842 -28.745 -14.774 1.00 20.00 C ATOM 902 SD MET A 49 -37.251 -29.123 -15.837 1.00 20.00 S ATOM 903 CE MET A 49 -37.881 -27.478 -16.171 1.00 20.00 C ATOM 0 H MET A 49 -33.203 -29.850 -15.179 1.00 20.00 H new ATOM 0 HA MET A 49 -34.903 -29.024 -17.323 1.00 20.00 H new ATOM 0 HB2 MET A 49 -33.996 -27.660 -14.761 1.00 20.00 H new ATOM 0 HB3 MET A 49 -35.206 -27.004 -15.846 1.00 20.00 H new ATOM 0 HG2 MET A 49 -35.407 -29.676 -14.412 1.00 20.00 H new ATOM 0 HG3 MET A 49 -36.190 -28.195 -13.900 1.00 20.00 H new ATOM 0 HE1 MET A 49 -38.918 -27.545 -16.500 1.00 20.00 H new ATOM 0 HE2 MET A 49 -37.827 -26.876 -15.264 1.00 20.00 H new ATOM 0 HE3 MET A 49 -37.282 -27.011 -16.953 1.00 20.00 H new ATOM 913 N ALA A 50 -31.907 -27.888 -17.281 1.00 20.00 N ATOM 914 CA ALA A 50 -30.915 -27.040 -17.950 1.00 20.00 C ATOM 915 C ALA A 50 -31.204 -26.858 -19.438 1.00 20.00 C ATOM 916 O ALA A 50 -31.059 -25.762 -19.979 1.00 20.00 O ATOM 917 CB ALA A 50 -29.528 -27.625 -17.772 1.00 20.00 C ATOM 0 H ALA A 50 -31.498 -28.609 -16.687 1.00 20.00 H new ATOM 0 HA ALA A 50 -30.972 -26.057 -17.483 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -28.798 -26.989 -18.272 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -29.291 -27.683 -16.710 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -29.496 -28.624 -18.206 1.00 20.00 H new ATOM 923 N GLU A 51 -31.615 -27.934 -20.091 1.00 20.00 N ATOM 924 CA GLU A 51 -31.882 -27.910 -21.524 1.00 20.00 C ATOM 925 C GLU A 51 -33.088 -27.026 -21.840 1.00 20.00 C ATOM 926 O GLU A 51 -33.172 -26.423 -22.910 1.00 20.00 O ATOM 927 CB GLU A 51 -32.121 -29.328 -22.038 1.00 20.00 C ATOM 928 CG GLU A 51 -30.945 -30.268 -21.810 1.00 20.00 C ATOM 929 CD GLU A 51 -31.217 -31.668 -22.310 1.00 20.00 C ATOM 930 OE1 GLU A 51 -30.930 -31.949 -23.489 1.00 20.00 O ATOM 931 OE2 GLU A 51 -31.721 -32.497 -21.523 1.00 20.00 O ATOM 0 H GLU A 51 -31.772 -28.840 -19.650 1.00 20.00 H new ATOM 0 HA GLU A 51 -31.010 -27.491 -22.027 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -33.003 -29.739 -21.548 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -32.340 -29.286 -23.105 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -30.064 -29.871 -22.314 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -30.714 -30.304 -20.745 1.00 20.00 H new ATOM 938 N ARG A 52 -34.012 -26.950 -20.897 1.00 20.00 N ATOM 939 CA ARG A 52 -35.215 -26.146 -21.057 1.00 20.00 C ATOM 940 C ARG A 52 -34.988 -24.739 -20.520 1.00 20.00 C ATOM 941 O ARG A 52 -35.617 -23.780 -20.963 1.00 20.00 O ATOM 942 CB ARG A 52 -36.389 -26.803 -20.335 1.00 20.00 C ATOM 943 CG ARG A 52 -36.690 -28.211 -20.820 1.00 20.00 C ATOM 944 CD ARG A 52 -37.880 -28.805 -20.093 1.00 20.00 C ATOM 945 NE ARG A 52 -38.166 -30.165 -20.541 1.00 20.00 N ATOM 946 CZ ARG A 52 -39.195 -30.891 -20.113 1.00 20.00 C ATOM 947 NH1 ARG A 52 -40.055 -30.384 -19.237 1.00 20.00 N ATOM 948 NH2 ARG A 52 -39.366 -32.122 -20.572 1.00 20.00 N ATOM 0 H ARG A 52 -33.952 -27.440 -20.004 1.00 20.00 H new ATOM 0 HA ARG A 52 -35.450 -26.079 -22.119 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -36.177 -26.833 -19.266 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -37.277 -26.185 -20.466 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -36.888 -28.193 -21.892 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -35.816 -28.844 -20.668 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -37.686 -28.809 -19.020 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -38.756 -28.177 -20.256 1.00 20.00 H new ATOM 0 HE ARG A 52 -37.537 -30.585 -21.225 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -39.928 -29.434 -18.889 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -40.842 -30.945 -18.912 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.710 -32.509 -21.251 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -40.154 -32.683 -20.247 1.00 20.00 H new ATOM 962 N PHE A 53 -34.075 -24.630 -19.564 1.00 20.00 N ATOM 963 CA PHE A 53 -33.722 -23.349 -18.971 1.00 20.00 C ATOM 964 C PHE A 53 -33.095 -22.438 -20.019 1.00 20.00 C ATOM 965 O PHE A 53 -33.195 -21.219 -19.932 1.00 20.00 O ATOM 966 CB PHE A 53 -32.762 -23.560 -17.797 1.00 20.00 C ATOM 967 CG PHE A 53 -32.366 -22.294 -17.089 1.00 20.00 C ATOM 968 CD1 PHE A 53 -33.299 -21.553 -16.376 1.00 20.00 C ATOM 969 CD2 PHE A 53 -31.053 -21.847 -17.129 1.00 20.00 C ATOM 970 CE1 PHE A 53 -32.929 -20.393 -15.723 1.00 20.00 C ATOM 971 CE2 PHE A 53 -30.681 -20.689 -16.478 1.00 20.00 C ATOM 972 CZ PHE A 53 -31.620 -19.961 -15.773 1.00 20.00 C ATOM 0 H PHE A 53 -33.561 -25.423 -19.180 1.00 20.00 H new ATOM 0 HA PHE A 53 -34.627 -22.871 -18.597 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -33.228 -24.234 -17.078 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -31.862 -24.055 -18.162 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -34.325 -21.887 -16.331 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -30.313 -22.412 -17.676 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -33.665 -19.825 -15.173 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -29.656 -20.352 -16.519 1.00 20.00 H new ATOM 0 HZ PHE A 53 -31.330 -19.055 -15.262 1.00 20.00 H new ATOM 982 N ALA A 54 -32.470 -23.048 -21.019 1.00 20.00 N ATOM 983 CA ALA A 54 -31.892 -22.312 -22.136 1.00 20.00 C ATOM 984 C ALA A 54 -32.975 -21.569 -22.914 1.00 20.00 C ATOM 985 O ALA A 54 -32.698 -20.605 -23.628 1.00 20.00 O ATOM 986 CB ALA A 54 -31.139 -23.261 -23.053 1.00 20.00 C ATOM 0 H ALA A 54 -32.350 -24.059 -21.078 1.00 20.00 H new ATOM 0 HA ALA A 54 -31.193 -21.576 -21.739 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -30.711 -22.701 -23.884 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -30.340 -23.749 -22.495 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -31.825 -24.015 -23.439 1.00 20.00 H new ATOM 992 N LYS A 55 -34.211 -22.027 -22.774 1.00 20.00 N ATOM 993 CA LYS A 55 -35.345 -21.376 -23.408 1.00 20.00 C ATOM 994 C LYS A 55 -35.898 -20.279 -22.505 1.00 20.00 C ATOM 995 O LYS A 55 -36.316 -19.226 -22.976 1.00 20.00 O ATOM 996 CB LYS A 55 -36.444 -22.397 -23.718 1.00 20.00 C ATOM 997 CG LYS A 55 -35.996 -23.533 -24.629 1.00 20.00 C ATOM 998 CD LYS A 55 -37.034 -24.640 -24.699 1.00 20.00 C ATOM 999 CE LYS A 55 -38.365 -24.132 -25.231 1.00 20.00 C ATOM 1000 NZ LYS A 55 -39.356 -25.229 -25.390 1.00 20.00 N ATOM 0 H LYS A 55 -34.453 -22.851 -22.224 1.00 20.00 H new ATOM 0 HA LYS A 55 -35.006 -20.929 -24.343 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -36.809 -22.819 -22.781 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -37.284 -21.881 -24.184 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -35.810 -23.145 -25.630 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -35.053 -23.941 -24.265 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -36.668 -25.442 -25.341 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -37.178 -25.067 -23.706 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -38.764 -23.379 -24.551 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -38.208 -23.643 -26.192 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -40.249 -24.840 -25.755 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -38.988 -25.935 -26.058 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -39.526 -25.680 -24.468 1.00 20.00 H new ATOM 1014 N MET A 56 -35.872 -20.529 -21.203 1.00 20.00 N ATOM 1015 CA MET A 56 -36.425 -19.593 -20.229 1.00 20.00 C ATOM 1016 C MET A 56 -35.468 -18.429 -19.975 1.00 20.00 C ATOM 1017 O MET A 56 -35.892 -17.288 -19.793 1.00 20.00 O ATOM 1018 CB MET A 56 -36.734 -20.319 -18.913 1.00 20.00 C ATOM 1019 CG MET A 56 -37.313 -19.414 -17.837 1.00 20.00 C ATOM 1020 SD MET A 56 -38.831 -18.587 -18.356 1.00 20.00 S ATOM 1021 CE MET A 56 -39.911 -19.992 -18.631 1.00 20.00 C ATOM 0 H MET A 56 -35.473 -21.374 -20.794 1.00 20.00 H new ATOM 0 HA MET A 56 -37.350 -19.187 -20.639 1.00 20.00 H new ATOM 0 HB2 MET A 56 -37.437 -21.128 -19.111 1.00 20.00 H new ATOM 0 HB3 MET A 56 -35.819 -20.776 -18.537 1.00 20.00 H new ATOM 0 HG2 MET A 56 -37.514 -20.004 -16.943 1.00 20.00 H new ATOM 0 HG3 MET A 56 -36.572 -18.663 -17.563 1.00 20.00 H new ATOM 0 HE1 MET A 56 -40.946 -19.652 -18.677 1.00 20.00 H new ATOM 0 HE2 MET A 56 -39.646 -20.476 -19.571 1.00 20.00 H new ATOM 0 HE3 MET A 56 -39.799 -20.703 -17.812 1.00 20.00 H new ATOM 1031 N ARG A 57 -34.174 -18.725 -19.971 1.00 20.00 N ATOM 1032 CA ARG A 57 -33.153 -17.710 -19.728 1.00 20.00 C ATOM 1033 C ARG A 57 -32.905 -16.895 -20.993 1.00 20.00 C ATOM 1034 O ARG A 57 -32.233 -15.863 -20.967 1.00 20.00 O ATOM 1035 CB ARG A 57 -31.851 -18.373 -19.251 1.00 20.00 C ATOM 1036 CG ARG A 57 -30.746 -17.400 -18.846 1.00 20.00 C ATOM 1037 CD ARG A 57 -31.097 -16.607 -17.589 1.00 20.00 C ATOM 1038 NE ARG A 57 -32.160 -15.627 -17.821 1.00 20.00 N ATOM 1039 CZ ARG A 57 -32.999 -15.195 -16.880 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -32.894 -15.643 -15.633 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -33.939 -14.307 -17.185 1.00 20.00 N ATOM 0 H ARG A 57 -33.805 -19.662 -20.134 1.00 20.00 H new ATOM 0 HA ARG A 57 -33.506 -17.036 -18.948 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -32.078 -19.017 -18.401 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -31.475 -19.016 -20.047 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -29.823 -17.954 -18.676 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -30.556 -16.708 -19.667 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -31.408 -17.296 -16.804 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -30.206 -16.093 -17.227 1.00 20.00 H new ATOM 0 HE ARG A 57 -32.265 -15.251 -18.763 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -32.169 -16.320 -15.394 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -33.538 -15.310 -14.916 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -34.019 -13.956 -18.139 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -34.581 -13.976 -16.465 1.00 20.00 H new