USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=6 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= -1.05 K(o=-1,f=-1.8!) USER MOD Single : A 19 ASN : amide:sc= -1.01 K(o=-1,f=-0.16) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.75 K(o=-1.7,f=-3.7!) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0694 (180deg=-0.334) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 162:sc= 0 (180deg=-0.216) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.421 (180deg=-0.219) USER MOD Single : A 56 MET CE :methyl -113:sc= -0.509 (180deg=-2.34!) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.495 -1.058 4.860 1.00 20.00 N ATOM 365 CA GLU A 16 -31.057 -1.078 3.468 1.00 20.00 C ATOM 366 C GLU A 16 -29.579 -1.461 3.385 1.00 20.00 C ATOM 367 O GLU A 16 -29.178 -2.232 2.516 1.00 20.00 O ATOM 368 CB GLU A 16 -31.315 0.295 2.827 1.00 20.00 C ATOM 369 CG GLU A 16 -31.003 0.392 1.334 1.00 20.00 C ATOM 370 CD GLU A 16 -29.521 0.523 1.032 1.00 20.00 C ATOM 371 OE1 GLU A 16 -28.853 1.371 1.663 1.00 20.00 O ATOM 372 OE2 GLU A 16 -29.018 -0.225 0.170 1.00 20.00 O ATOM 0 HA GLU A 16 -31.626 -1.827 2.917 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.362 0.557 2.980 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.720 1.041 3.354 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.391 -0.494 0.832 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.528 1.251 0.916 1.00 20.00 H new ATOM 379 N GLN A 17 -28.785 -0.938 4.315 1.00 20.00 N ATOM 380 CA GLN A 17 -27.360 -1.244 4.376 1.00 20.00 C ATOM 381 C GLN A 17 -27.146 -2.753 4.466 1.00 20.00 C ATOM 382 O GLN A 17 -26.290 -3.317 3.779 1.00 20.00 O ATOM 383 CB GLN A 17 -26.716 -0.560 5.585 1.00 20.00 C ATOM 384 CG GLN A 17 -25.202 -0.481 5.506 1.00 20.00 C ATOM 385 CD GLN A 17 -24.735 0.590 4.539 1.00 20.00 C ATOM 386 OE1 GLN A 17 -24.567 0.337 3.348 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.521 1.795 5.046 1.00 20.00 N ATOM 0 H GLN A 17 -29.107 -0.297 5.040 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.891 -0.870 3.466 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.119 0.448 5.678 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.996 -1.100 6.489 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.798 -0.275 6.497 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.805 -1.447 5.195 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.672 1.964 6.040 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.205 2.554 4.442 1.00 20.00 H new ATOM 396 N GLU A 18 -27.953 -3.406 5.297 1.00 20.00 N ATOM 397 CA GLU A 18 -27.863 -4.850 5.467 1.00 20.00 C ATOM 398 C GLU A 18 -28.354 -5.557 4.207 1.00 20.00 C ATOM 399 O GLU A 18 -27.777 -6.555 3.782 1.00 20.00 O ATOM 400 CB GLU A 18 -28.669 -5.317 6.690 1.00 20.00 C ATOM 401 CG GLU A 18 -28.585 -6.817 6.931 1.00 20.00 C ATOM 402 CD GLU A 18 -29.367 -7.280 8.140 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.813 -7.248 9.257 1.00 20.00 O ATOM 404 OE2 GLU A 18 -30.529 -7.708 7.974 1.00 20.00 O ATOM 0 H GLU A 18 -28.675 -2.958 5.862 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.818 -5.108 5.636 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.308 -4.793 7.575 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -29.714 -5.036 6.557 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.953 -7.340 6.048 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.539 -7.099 7.055 1.00 20.00 H new ATOM 411 N ASN A 19 -29.403 -5.017 3.601 1.00 20.00 N ATOM 412 CA ASN A 19 -29.962 -5.587 2.376 1.00 20.00 C ATOM 413 C ASN A 19 -28.949 -5.538 1.239 1.00 20.00 C ATOM 414 O ASN A 19 -28.954 -6.392 0.354 1.00 20.00 O ATOM 415 CB ASN A 19 -31.233 -4.844 1.952 1.00 20.00 C ATOM 416 CG ASN A 19 -32.382 -4.993 2.934 1.00 20.00 C ATOM 417 OD1 ASN A 19 -33.188 -4.079 3.102 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.482 -6.148 3.571 1.00 20.00 N ATOM 0 H ASN A 19 -29.887 -4.184 3.936 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.211 -6.627 2.588 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.002 -3.785 1.834 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.550 -5.212 0.976 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.247 -6.304 4.227 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.794 -6.883 3.406 1.00 20.00 H new ATOM 425 N SER A 20 -28.081 -4.539 1.267 1.00 20.00 N ATOM 426 CA SER A 20 -27.087 -4.372 0.223 1.00 20.00 C ATOM 427 C SER A 20 -25.931 -5.359 0.395 1.00 20.00 C ATOM 428 O SER A 20 -25.588 -6.093 -0.534 1.00 20.00 O ATOM 429 CB SER A 20 -26.566 -2.927 0.209 1.00 20.00 C ATOM 430 OG SER A 20 -25.656 -2.716 -0.857 1.00 20.00 O ATOM 0 H SER A 20 -28.046 -3.833 2.002 1.00 20.00 H new ATOM 0 HA SER A 20 -27.564 -4.582 -0.734 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.405 -2.237 0.115 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.076 -2.706 1.157 1.00 20.00 H new ATOM 0 HG SER A 20 -25.343 -1.787 -0.841 1.00 20.00 H new ATOM 436 N TYR A 21 -25.346 -5.398 1.586 1.00 20.00 N ATOM 437 CA TYR A 21 -24.144 -6.198 1.809 1.00 20.00 C ATOM 438 C TYR A 21 -24.466 -7.596 2.324 1.00 20.00 C ATOM 439 O TYR A 21 -23.978 -8.593 1.786 1.00 20.00 O ATOM 440 CB TYR A 21 -23.207 -5.497 2.794 1.00 20.00 C ATOM 441 CG TYR A 21 -22.675 -4.176 2.294 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.707 -4.128 1.298 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.130 -2.976 2.823 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.209 -2.922 0.845 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.638 -1.768 2.374 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.679 -1.746 1.387 1.00 20.00 C ATOM 447 OH TYR A 21 -21.186 -0.542 0.944 1.00 20.00 O ATOM 0 H TYR A 21 -25.679 -4.891 2.406 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.652 -6.301 0.842 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.738 -5.333 3.732 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.367 -6.156 3.014 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.338 -5.049 0.871 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.881 -2.988 3.599 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.456 -2.901 0.071 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.004 -0.843 2.795 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.624 0.189 1.428 1.00 20.00 H new ATOM 457 N ASN A 22 -25.303 -7.669 3.346 1.00 20.00 N ATOM 458 CA ASN A 22 -25.517 -8.916 4.076 1.00 20.00 C ATOM 459 C ASN A 22 -26.373 -9.899 3.290 1.00 20.00 C ATOM 460 O ASN A 22 -26.461 -11.071 3.651 1.00 20.00 O ATOM 461 CB ASN A 22 -26.166 -8.658 5.438 1.00 20.00 C ATOM 462 CG ASN A 22 -25.286 -7.858 6.385 1.00 20.00 C ATOM 463 OD1 ASN A 22 -24.510 -6.998 5.966 1.00 20.00 O ATOM 464 ND2 ASN A 22 -25.397 -8.138 7.674 1.00 20.00 N ATOM 0 H ASN A 22 -25.848 -6.880 3.692 1.00 20.00 H new ATOM 0 HA ASN A 22 -24.532 -9.358 4.224 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.105 -8.125 5.289 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -26.411 -9.613 5.902 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -24.829 -7.635 8.356 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.050 -8.857 7.985 1.00 20.00 H new ATOM 471 N GLU A 23 -26.996 -9.428 2.217 1.00 20.00 N ATOM 472 CA GLU A 23 -27.831 -10.285 1.379 1.00 20.00 C ATOM 473 C GLU A 23 -27.016 -11.460 0.837 1.00 20.00 C ATOM 474 O GLU A 23 -27.515 -12.581 0.723 1.00 20.00 O ATOM 475 CB GLU A 23 -28.428 -9.478 0.223 1.00 20.00 C ATOM 476 CG GLU A 23 -29.475 -10.234 -0.582 1.00 20.00 C ATOM 477 CD GLU A 23 -30.707 -10.577 0.233 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.581 -9.702 0.393 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.810 -11.726 0.712 1.00 20.00 O ATOM 0 H GLU A 23 -26.940 -8.458 1.905 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.644 -10.678 1.989 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.878 -8.569 0.622 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.624 -9.169 -0.445 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.770 -9.633 -1.442 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.035 -11.152 -0.971 1.00 20.00 H new ATOM 486 N TRP A 24 -25.755 -11.200 0.520 1.00 20.00 N ATOM 487 CA TRP A 24 -24.867 -12.240 0.018 1.00 20.00 C ATOM 488 C TRP A 24 -24.191 -12.978 1.169 1.00 20.00 C ATOM 489 O TRP A 24 -23.833 -14.150 1.051 1.00 20.00 O ATOM 490 CB TRP A 24 -23.817 -11.638 -0.914 1.00 20.00 C ATOM 491 CG TRP A 24 -24.412 -11.020 -2.139 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.697 -9.699 -2.337 1.00 20.00 C ATOM 493 CD2 TRP A 24 -24.810 -11.701 -3.334 1.00 20.00 C ATOM 494 NE1 TRP A 24 -25.233 -9.517 -3.587 1.00 20.00 N ATOM 495 CE2 TRP A 24 -25.316 -10.732 -4.217 1.00 20.00 C ATOM 496 CE3 TRP A 24 -24.781 -13.039 -3.743 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -25.791 -11.056 -5.485 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -25.254 -13.359 -5.001 1.00 20.00 C ATOM 499 CH2 TRP A 24 -25.753 -12.371 -5.859 1.00 20.00 C ATOM 0 H TRP A 24 -25.324 -10.279 0.601 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.466 -12.957 -0.544 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.248 -10.883 -0.372 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.113 -12.416 -1.211 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.526 -8.913 -1.616 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.523 -8.623 -3.983 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.396 -13.807 -3.088 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -26.176 -10.296 -6.149 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -25.239 -14.388 -5.328 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -26.115 -12.653 -6.836 1.00 20.00 H new ATOM 510 N LEU A 25 -24.032 -12.283 2.286 1.00 20.00 N ATOM 511 CA LEU A 25 -23.423 -12.865 3.476 1.00 20.00 C ATOM 512 C LEU A 25 -24.362 -13.880 4.112 1.00 20.00 C ATOM 513 O LEU A 25 -23.922 -14.853 4.715 1.00 20.00 O ATOM 514 CB LEU A 25 -23.085 -11.770 4.492 1.00 20.00 C ATOM 515 CG LEU A 25 -22.536 -12.262 5.835 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.210 -12.981 5.649 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.386 -11.098 6.803 1.00 20.00 C ATOM 0 H LEU A 25 -24.318 -11.310 2.394 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.504 -13.370 3.177 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.353 -11.097 4.045 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.984 -11.183 4.680 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.247 -12.973 6.256 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.841 -13.320 6.617 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.351 -13.840 4.993 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.486 -12.299 5.204 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.995 -11.463 7.753 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.697 -10.364 6.385 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.358 -10.632 6.966 1.00 20.00 H new ATOM 529 N ARG A 26 -25.660 -13.644 3.952 1.00 20.00 N ATOM 530 CA ARG A 26 -26.695 -14.476 4.560 1.00 20.00 C ATOM 531 C ARG A 26 -26.521 -15.948 4.184 1.00 20.00 C ATOM 532 O ARG A 26 -26.864 -16.841 4.957 1.00 20.00 O ATOM 533 CB ARG A 26 -28.079 -13.983 4.124 1.00 20.00 C ATOM 534 CG ARG A 26 -29.229 -14.537 4.954 1.00 20.00 C ATOM 535 CD ARG A 26 -29.219 -13.982 6.372 1.00 20.00 C ATOM 536 NE ARG A 26 -29.271 -12.520 6.389 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.710 -11.796 7.420 1.00 20.00 C ATOM 538 NH1 ARG A 26 -30.172 -12.391 8.514 1.00 20.00 N ATOM 539 NH2 ARG A 26 -29.694 -10.472 7.347 1.00 20.00 N ATOM 0 H ARG A 26 -26.025 -12.870 3.397 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.603 -14.394 5.643 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.098 -12.895 4.178 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.236 -14.253 3.080 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -30.176 -14.291 4.474 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.162 -15.624 4.988 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.070 -14.381 6.924 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.319 -14.319 6.887 1.00 20.00 H new ATOM 0 HE ARG A 26 -28.951 -12.022 5.559 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.193 -13.409 8.571 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -30.506 -11.830 9.298 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -29.347 -10.012 6.505 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -30.029 -9.914 8.132 1.00 20.00 H new ATOM 553 N ALA A 27 -25.983 -16.194 2.997 1.00 20.00 N ATOM 554 CA ALA A 27 -25.754 -17.552 2.531 1.00 20.00 C ATOM 555 C ALA A 27 -24.471 -18.126 3.123 1.00 20.00 C ATOM 556 O ALA A 27 -24.421 -19.288 3.521 1.00 20.00 O ATOM 557 CB ALA A 27 -25.692 -17.580 1.012 1.00 20.00 C ATOM 0 H ALA A 27 -25.697 -15.469 2.339 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.586 -18.172 2.865 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.520 -18.602 0.674 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.634 -17.216 0.603 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.877 -16.942 0.669 1.00 20.00 H new ATOM 563 N LYS A 28 -23.443 -17.294 3.208 1.00 20.00 N ATOM 564 CA LYS A 28 -22.129 -17.744 3.648 1.00 20.00 C ATOM 565 C LYS A 28 -22.069 -17.855 5.172 1.00 20.00 C ATOM 566 O LYS A 28 -21.325 -18.665 5.720 1.00 20.00 O ATOM 567 CB LYS A 28 -21.043 -16.788 3.148 1.00 20.00 C ATOM 568 CG LYS A 28 -19.628 -17.279 3.411 1.00 20.00 C ATOM 569 CD LYS A 28 -18.595 -16.261 2.961 1.00 20.00 C ATOM 570 CE LYS A 28 -17.177 -16.797 3.105 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.948 -18.000 2.260 1.00 20.00 N ATOM 0 H LYS A 28 -23.493 -16.302 2.978 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.953 -18.733 3.225 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.172 -16.635 2.077 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.176 -15.818 3.627 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.503 -17.480 4.475 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.465 -18.221 2.887 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.778 -15.992 1.921 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.701 -15.350 3.550 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -16.465 -16.019 2.829 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.988 -17.046 4.149 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.927 -18.182 2.185 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.416 -18.822 2.692 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.341 -17.838 1.311 1.00 20.00 H new ATOM 585 N VAL A 29 -22.855 -17.038 5.854 1.00 20.00 N ATOM 586 CA VAL A 29 -22.893 -17.059 7.308 1.00 20.00 C ATOM 587 C VAL A 29 -23.733 -18.239 7.803 1.00 20.00 C ATOM 588 O VAL A 29 -23.660 -18.627 8.969 1.00 20.00 O ATOM 589 CB VAL A 29 -23.458 -15.734 7.877 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.960 -15.626 7.656 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.116 -15.586 9.350 1.00 20.00 C ATOM 0 H VAL A 29 -23.476 -16.352 5.425 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.869 -17.173 7.664 1.00 20.00 H new ATOM 0 HB VAL A 29 -22.985 -14.916 7.333 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.322 -14.684 8.068 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.174 -15.661 6.588 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.462 -16.456 8.154 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.524 -14.648 9.726 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.545 -16.418 9.909 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.033 -15.586 9.474 1.00 20.00 H new ATOM 772 N HIS A 42 -28.737 -20.335 -11.417 1.00 20.00 N ATOM 773 CA HIS A 42 -29.030 -21.018 -12.670 1.00 20.00 C ATOM 774 C HIS A 42 -28.799 -20.087 -13.858 1.00 20.00 C ATOM 775 O HIS A 42 -28.521 -20.544 -14.967 1.00 20.00 O ATOM 776 CB HIS A 42 -30.473 -21.543 -12.664 1.00 20.00 C ATOM 777 CG HIS A 42 -30.847 -22.348 -13.876 1.00 20.00 C ATOM 778 ND1 HIS A 42 -32.079 -22.258 -14.486 1.00 20.00 N ATOM 779 CD2 HIS A 42 -30.151 -23.276 -14.581 1.00 20.00 C ATOM 780 CE1 HIS A 42 -32.126 -23.091 -15.507 1.00 20.00 C ATOM 781 NE2 HIS A 42 -30.971 -23.719 -15.588 1.00 20.00 N ATOM 0 HA HIS A 42 -28.353 -21.867 -12.769 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -30.619 -22.158 -11.776 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -31.154 -20.696 -12.581 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -29.141 -23.604 -14.386 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -32.970 -23.234 -16.166 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -30.726 -24.421 -16.286 1.00 20.00 H new ATOM 790 N ASP A 43 -28.896 -18.784 -13.618 1.00 20.00 N ATOM 791 CA ASP A 43 -28.637 -17.801 -14.662 1.00 20.00 C ATOM 792 C ASP A 43 -27.175 -17.848 -15.082 1.00 20.00 C ATOM 793 O ASP A 43 -26.859 -17.773 -16.268 1.00 20.00 O ATOM 794 CB ASP A 43 -29.011 -16.391 -14.202 1.00 20.00 C ATOM 795 CG ASP A 43 -28.710 -15.342 -15.253 1.00 20.00 C ATOM 796 OD1 ASP A 43 -29.304 -15.404 -16.350 1.00 20.00 O ATOM 797 OD2 ASP A 43 -27.891 -14.437 -14.983 1.00 20.00 O ATOM 0 H ASP A 43 -29.151 -18.386 -12.714 1.00 20.00 H new ATOM 0 HA ASP A 43 -29.260 -18.052 -15.520 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -30.073 -16.361 -13.957 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -28.466 -16.153 -13.289 1.00 20.00 H new ATOM 802 N GLU A 44 -26.286 -18.006 -14.105 1.00 20.00 N ATOM 803 CA GLU A 44 -24.861 -18.123 -14.383 1.00 20.00 C ATOM 804 C GLU A 44 -24.593 -19.374 -15.207 1.00 20.00 C ATOM 805 O GLU A 44 -23.784 -19.360 -16.136 1.00 20.00 O ATOM 806 CB GLU A 44 -24.052 -18.172 -13.084 1.00 20.00 C ATOM 807 CG GLU A 44 -22.560 -18.352 -13.312 1.00 20.00 C ATOM 808 CD GLU A 44 -21.773 -18.444 -12.024 1.00 20.00 C ATOM 809 OE1 GLU A 44 -21.415 -17.388 -11.463 1.00 20.00 O ATOM 810 OE2 GLU A 44 -21.494 -19.571 -11.571 1.00 20.00 O ATOM 0 H GLU A 44 -26.529 -18.056 -13.116 1.00 20.00 H new ATOM 0 HA GLU A 44 -24.550 -17.244 -14.948 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -24.219 -17.251 -12.525 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -24.420 -18.991 -12.466 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -22.394 -19.256 -13.898 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -22.185 -17.516 -13.902 1.00 20.00 H new ATOM 817 N VAL A 45 -25.296 -20.444 -14.868 1.00 20.00 N ATOM 818 CA VAL A 45 -25.185 -21.702 -15.591 1.00 20.00 C ATOM 819 C VAL A 45 -25.661 -21.533 -17.032 1.00 20.00 C ATOM 820 O VAL A 45 -25.068 -22.078 -17.962 1.00 20.00 O ATOM 821 CB VAL A 45 -25.997 -22.813 -14.896 1.00 20.00 C ATOM 822 CG1 VAL A 45 -25.912 -24.118 -15.669 1.00 20.00 C ATOM 823 CG2 VAL A 45 -25.512 -23.007 -13.468 1.00 20.00 C ATOM 0 H VAL A 45 -25.955 -20.466 -14.090 1.00 20.00 H new ATOM 0 HA VAL A 45 -24.135 -21.994 -15.596 1.00 20.00 H new ATOM 0 HB VAL A 45 -27.042 -22.505 -14.872 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -26.494 -24.883 -15.156 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -26.310 -23.972 -16.673 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -24.871 -24.436 -15.733 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -26.094 -23.794 -12.990 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -24.459 -23.289 -13.476 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -25.634 -22.077 -12.913 1.00 20.00 H new ATOM 833 N GLU A 46 -26.718 -20.752 -17.211 1.00 20.00 N ATOM 834 CA GLU A 46 -27.237 -20.466 -18.544 1.00 20.00 C ATOM 835 C GLU A 46 -26.237 -19.623 -19.334 1.00 20.00 C ATOM 836 O GLU A 46 -26.073 -19.801 -20.541 1.00 20.00 O ATOM 837 CB GLU A 46 -28.588 -19.749 -18.458 1.00 20.00 C ATOM 838 CG GLU A 46 -29.256 -19.543 -19.808 1.00 20.00 C ATOM 839 CD GLU A 46 -30.565 -18.794 -19.696 1.00 20.00 C ATOM 840 OE1 GLU A 46 -30.536 -17.554 -19.570 1.00 20.00 O ATOM 841 OE2 GLU A 46 -31.630 -19.439 -19.726 1.00 20.00 O ATOM 0 H GLU A 46 -27.233 -20.305 -16.452 1.00 20.00 H new ATOM 0 HA GLU A 46 -27.384 -21.412 -19.064 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -29.255 -20.325 -17.816 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -28.445 -18.779 -17.981 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -28.581 -18.993 -20.464 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -29.434 -20.512 -20.274 1.00 20.00 H new ATOM 848 N ARG A 47 -25.559 -18.708 -18.647 1.00 20.00 N ATOM 849 CA ARG A 47 -24.518 -17.902 -19.279 1.00 20.00 C ATOM 850 C ARG A 47 -23.319 -18.783 -19.619 1.00 20.00 C ATOM 851 O ARG A 47 -22.585 -18.518 -20.568 1.00 20.00 O ATOM 852 CB ARG A 47 -24.079 -16.744 -18.371 1.00 20.00 C ATOM 853 CG ARG A 47 -25.214 -15.829 -17.939 1.00 20.00 C ATOM 854 CD ARG A 47 -24.705 -14.576 -17.235 1.00 20.00 C ATOM 855 NE ARG A 47 -23.729 -14.872 -16.183 1.00 20.00 N ATOM 856 CZ ARG A 47 -23.971 -14.763 -14.875 1.00 20.00 C ATOM 857 NH1 ARG A 47 -25.190 -14.476 -14.432 1.00 20.00 N ATOM 858 NH2 ARG A 47 -22.988 -14.958 -14.005 1.00 20.00 N ATOM 0 H ARG A 47 -25.710 -18.507 -17.659 1.00 20.00 H new ATOM 0 HA ARG A 47 -24.928 -17.474 -20.194 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -23.600 -17.155 -17.482 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -23.328 -16.152 -18.893 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -25.799 -15.541 -18.812 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -25.883 -16.372 -17.272 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -24.250 -13.912 -17.970 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -25.549 -14.041 -16.801 1.00 20.00 H new ATOM 0 HE ARG A 47 -22.801 -15.183 -16.470 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -25.953 -14.336 -15.094 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -25.363 -14.395 -13.430 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -22.052 -15.190 -14.337 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -23.169 -14.876 -13.005 1.00 20.00 H new ATOM 872 N ARG A 48 -23.144 -19.840 -18.837 1.00 20.00 N ATOM 873 CA ARG A 48 -22.058 -20.788 -19.042 1.00 20.00 C ATOM 874 C ARG A 48 -22.370 -21.689 -20.233 1.00 20.00 C ATOM 875 O ARG A 48 -21.484 -22.057 -21.005 1.00 20.00 O ATOM 876 CB ARG A 48 -21.857 -21.625 -17.775 1.00 20.00 C ATOM 877 CG ARG A 48 -20.582 -22.448 -17.774 1.00 20.00 C ATOM 878 CD ARG A 48 -20.410 -23.205 -16.466 1.00 20.00 C ATOM 879 NE ARG A 48 -21.414 -24.258 -16.298 1.00 20.00 N ATOM 880 CZ ARG A 48 -21.949 -24.606 -15.126 1.00 20.00 C ATOM 881 NH1 ARG A 48 -21.666 -23.915 -14.027 1.00 20.00 N ATOM 882 NH2 ARG A 48 -22.787 -25.633 -15.060 1.00 20.00 N ATOM 0 H ARG A 48 -23.748 -20.063 -18.046 1.00 20.00 H new ATOM 0 HA ARG A 48 -21.138 -20.242 -19.252 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -21.849 -20.961 -16.911 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -22.709 -22.294 -17.655 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -20.602 -23.154 -18.604 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -19.725 -21.794 -17.933 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -19.414 -23.647 -16.433 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -20.477 -22.506 -15.632 1.00 20.00 H new ATOM 0 HE ARG A 48 -21.725 -24.758 -17.131 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -21.037 -23.114 -14.076 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -22.078 -24.186 -13.134 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -23.021 -26.155 -15.904 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -23.197 -25.900 -14.165 1.00 20.00 H new ATOM 896 N MET A 49 -23.644 -22.032 -20.381 1.00 20.00 N ATOM 897 CA MET A 49 -24.099 -22.827 -21.516 1.00 20.00 C ATOM 898 C MET A 49 -24.005 -22.013 -22.796 1.00 20.00 C ATOM 899 O MET A 49 -23.697 -22.545 -23.862 1.00 20.00 O ATOM 900 CB MET A 49 -25.536 -23.310 -21.303 1.00 20.00 C ATOM 901 CG MET A 49 -25.667 -24.403 -20.257 1.00 20.00 C ATOM 902 SD MET A 49 -27.381 -24.882 -19.966 1.00 20.00 S ATOM 903 CE MET A 49 -27.166 -26.173 -18.743 1.00 20.00 C ATOM 0 H MET A 49 -24.382 -21.771 -19.727 1.00 20.00 H new ATOM 0 HA MET A 49 -23.454 -23.701 -21.602 1.00 20.00 H new ATOM 0 HB2 MET A 49 -26.154 -22.462 -21.008 1.00 20.00 H new ATOM 0 HB3 MET A 49 -25.930 -23.678 -22.250 1.00 20.00 H new ATOM 0 HG2 MET A 49 -25.099 -25.277 -20.576 1.00 20.00 H new ATOM 0 HG3 MET A 49 -25.225 -24.060 -19.321 1.00 20.00 H new ATOM 0 HE1 MET A 49 -28.111 -26.349 -18.230 1.00 20.00 H new ATOM 0 HE2 MET A 49 -26.844 -27.091 -19.235 1.00 20.00 H new ATOM 0 HE3 MET A 49 -26.412 -25.866 -18.019 1.00 20.00 H new ATOM 913 N ALA A 50 -24.253 -20.714 -22.675 1.00 20.00 N ATOM 914 CA ALA A 50 -24.131 -19.790 -23.793 1.00 20.00 C ATOM 915 C ALA A 50 -22.727 -19.832 -24.381 1.00 20.00 C ATOM 916 O ALA A 50 -22.533 -19.620 -25.577 1.00 20.00 O ATOM 917 CB ALA A 50 -24.468 -18.381 -23.344 1.00 20.00 C ATOM 0 H ALA A 50 -24.543 -20.274 -21.802 1.00 20.00 H new ATOM 0 HA ALA A 50 -24.835 -20.095 -24.568 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -24.374 -17.698 -24.188 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -25.491 -18.354 -22.968 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -23.782 -18.077 -22.553 1.00 20.00 H new ATOM 923 N GLU A 51 -21.756 -20.136 -23.527 1.00 20.00 N ATOM 924 CA GLU A 51 -20.359 -20.200 -23.935 1.00 20.00 C ATOM 925 C GLU A 51 -20.130 -21.367 -24.888 1.00 20.00 C ATOM 926 O GLU A 51 -19.168 -21.377 -25.655 1.00 20.00 O ATOM 927 CB GLU A 51 -19.449 -20.332 -22.715 1.00 20.00 C ATOM 928 CG GLU A 51 -19.623 -19.215 -21.698 1.00 20.00 C ATOM 929 CD GLU A 51 -18.619 -19.294 -20.571 1.00 20.00 C ATOM 930 OE1 GLU A 51 -18.799 -20.123 -19.658 1.00 20.00 O ATOM 931 OE2 GLU A 51 -17.637 -18.525 -20.598 1.00 20.00 O ATOM 0 H GLU A 51 -21.914 -20.343 -22.541 1.00 20.00 H new ATOM 0 HA GLU A 51 -20.115 -19.273 -24.455 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -19.645 -21.288 -22.229 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -18.411 -20.350 -23.047 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -19.525 -18.253 -22.200 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -20.631 -19.258 -21.285 1.00 20.00 H new ATOM 938 N ARG A 52 -21.020 -22.351 -24.834 1.00 20.00 N ATOM 939 CA ARG A 52 -20.977 -23.468 -25.763 1.00 20.00 C ATOM 940 C ARG A 52 -21.507 -23.028 -27.120 1.00 20.00 C ATOM 941 O ARG A 52 -20.882 -23.272 -28.151 1.00 20.00 O ATOM 942 CB ARG A 52 -21.795 -24.660 -25.246 1.00 20.00 C ATOM 943 CG ARG A 52 -21.067 -25.547 -24.242 1.00 20.00 C ATOM 944 CD ARG A 52 -20.785 -24.834 -22.930 1.00 20.00 C ATOM 945 NE ARG A 52 -20.061 -25.696 -21.997 1.00 20.00 N ATOM 946 CZ ARG A 52 -19.391 -25.254 -20.933 1.00 20.00 C ATOM 947 NH1 ARG A 52 -19.378 -23.959 -20.639 1.00 20.00 N ATOM 948 NH2 ARG A 52 -18.743 -26.114 -20.155 1.00 20.00 N ATOM 0 H ARG A 52 -21.780 -22.396 -24.155 1.00 20.00 H new ATOM 0 HA ARG A 52 -19.940 -23.788 -25.859 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -22.707 -24.283 -24.783 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -22.098 -25.271 -26.096 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -21.666 -26.436 -24.047 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -20.127 -25.886 -24.677 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -20.202 -23.933 -23.122 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -21.725 -24.515 -22.478 1.00 20.00 H new ATOM 0 HE ARG A 52 -20.069 -26.701 -22.172 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -19.882 -23.297 -21.229 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -18.864 -23.626 -19.823 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -18.759 -27.110 -20.372 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -18.230 -25.778 -19.340 1.00 20.00 H new ATOM 962 N PHE A 53 -22.653 -22.353 -27.106 1.00 20.00 N ATOM 963 CA PHE A 53 -23.276 -21.860 -28.329 1.00 20.00 C ATOM 964 C PHE A 53 -22.375 -20.849 -29.025 1.00 20.00 C ATOM 965 O PHE A 53 -22.331 -20.783 -30.254 1.00 20.00 O ATOM 966 CB PHE A 53 -24.632 -21.224 -28.016 1.00 20.00 C ATOM 967 CG PHE A 53 -25.646 -22.200 -27.488 1.00 20.00 C ATOM 968 CD1 PHE A 53 -26.474 -22.893 -28.355 1.00 20.00 C ATOM 969 CD2 PHE A 53 -25.770 -22.423 -26.128 1.00 20.00 C ATOM 970 CE1 PHE A 53 -27.407 -23.790 -27.874 1.00 20.00 C ATOM 971 CE2 PHE A 53 -26.701 -23.319 -25.641 1.00 20.00 C ATOM 972 CZ PHE A 53 -27.520 -24.004 -26.516 1.00 20.00 C ATOM 0 H PHE A 53 -23.171 -22.134 -26.255 1.00 20.00 H new ATOM 0 HA PHE A 53 -23.428 -22.707 -28.998 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -24.491 -20.428 -27.285 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -25.024 -20.759 -28.921 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -26.389 -22.730 -29.419 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -25.131 -21.890 -25.439 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -28.048 -24.324 -28.560 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -26.788 -23.484 -24.577 1.00 20.00 H new ATOM 0 HZ PHE A 53 -28.248 -24.706 -26.138 1.00 20.00 H new ATOM 982 N ALA A 54 -21.649 -20.075 -28.230 1.00 20.00 N ATOM 983 CA ALA A 54 -20.704 -19.103 -28.755 1.00 20.00 C ATOM 984 C ALA A 54 -19.611 -19.786 -29.572 1.00 20.00 C ATOM 985 O ALA A 54 -19.145 -19.252 -30.580 1.00 20.00 O ATOM 986 CB ALA A 54 -20.095 -18.303 -27.619 1.00 20.00 C ATOM 0 H ALA A 54 -21.698 -20.103 -27.212 1.00 20.00 H new ATOM 0 HA ALA A 54 -21.243 -18.425 -29.417 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -19.389 -17.578 -28.023 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -20.884 -17.779 -27.079 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -19.574 -18.976 -26.938 1.00 20.00 H new ATOM 992 N LYS A 55 -19.216 -20.975 -29.139 1.00 20.00 N ATOM 993 CA LYS A 55 -18.197 -21.743 -29.839 1.00 20.00 C ATOM 994 C LYS A 55 -18.812 -22.497 -31.012 1.00 20.00 C ATOM 995 O LYS A 55 -18.138 -22.795 -31.997 1.00 20.00 O ATOM 996 CB LYS A 55 -17.510 -22.716 -28.882 1.00 20.00 C ATOM 997 CG LYS A 55 -16.766 -22.033 -27.744 1.00 20.00 C ATOM 998 CD LYS A 55 -16.101 -23.042 -26.828 1.00 20.00 C ATOM 999 CE LYS A 55 -15.360 -22.362 -25.687 1.00 20.00 C ATOM 1000 NZ LYS A 55 -16.268 -21.555 -24.829 1.00 20.00 N ATOM 0 H LYS A 55 -19.587 -21.429 -28.304 1.00 20.00 H new ATOM 0 HA LYS A 55 -17.448 -21.052 -30.226 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -18.258 -23.389 -28.463 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -16.808 -23.331 -29.445 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -16.013 -21.360 -28.153 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -17.461 -21.421 -27.169 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -16.854 -23.717 -26.422 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -15.404 -23.652 -27.403 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -14.863 -23.117 -25.078 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -14.581 -21.718 -26.095 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -16.038 -20.546 -24.932 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -17.254 -21.716 -25.119 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -16.148 -21.837 -23.835 1.00 20.00 H new ATOM 1014 N MET A 56 -20.100 -22.790 -30.904 1.00 20.00 N ATOM 1015 CA MET A 56 -20.831 -23.451 -31.980 1.00 20.00 C ATOM 1016 C MET A 56 -21.003 -22.500 -33.156 1.00 20.00 C ATOM 1017 O MET A 56 -21.089 -22.925 -34.306 1.00 20.00 O ATOM 1018 CB MET A 56 -22.203 -23.928 -31.497 1.00 20.00 C ATOM 1019 CG MET A 56 -22.166 -24.980 -30.391 1.00 20.00 C ATOM 1020 SD MET A 56 -21.426 -26.551 -30.899 1.00 20.00 S ATOM 1021 CE MET A 56 -19.686 -26.259 -30.577 1.00 20.00 C ATOM 0 H MET A 56 -20.663 -22.580 -30.080 1.00 20.00 H new ATOM 0 HA MET A 56 -20.255 -24.320 -32.298 1.00 20.00 H new ATOM 0 HB2 MET A 56 -22.766 -23.066 -31.139 1.00 20.00 H new ATOM 0 HB3 MET A 56 -22.750 -24.335 -32.347 1.00 20.00 H new ATOM 0 HG2 MET A 56 -21.607 -24.583 -29.544 1.00 20.00 H new ATOM 0 HG3 MET A 56 -23.183 -25.164 -30.044 1.00 20.00 H new ATOM 0 HE1 MET A 56 -19.140 -26.235 -31.520 1.00 20.00 H new ATOM 0 HE2 MET A 56 -19.566 -25.305 -30.064 1.00 20.00 H new ATOM 0 HE3 MET A 56 -19.293 -27.059 -29.950 1.00 20.00 H new ATOM 1031 N ARG A 57 -21.029 -21.208 -32.853 1.00 20.00 N ATOM 1032 CA ARG A 57 -21.173 -20.171 -33.869 1.00 20.00 C ATOM 1033 C ARG A 57 -19.937 -20.119 -34.770 1.00 20.00 C ATOM 1034 O ARG A 57 -19.969 -19.541 -35.856 1.00 20.00 O ATOM 1035 CB ARG A 57 -21.400 -18.815 -33.194 1.00 20.00 C ATOM 1036 CG ARG A 57 -21.701 -17.680 -34.160 1.00 20.00 C ATOM 1037 CD ARG A 57 -21.866 -16.359 -33.424 1.00 20.00 C ATOM 1038 NE ARG A 57 -22.122 -15.245 -34.335 1.00 20.00 N ATOM 1039 CZ ARG A 57 -21.596 -14.029 -34.191 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -20.779 -13.769 -33.176 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -21.892 -13.072 -35.063 1.00 20.00 N ATOM 0 H ARG A 57 -20.951 -20.850 -31.901 1.00 20.00 H new ATOM 0 HA ARG A 57 -22.035 -20.408 -34.493 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -22.227 -18.906 -32.490 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -20.514 -18.558 -32.614 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -20.894 -17.595 -34.888 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -22.611 -17.905 -34.717 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -22.689 -16.441 -32.714 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -20.965 -16.153 -32.846 1.00 20.00 H new ATOM 0 HE ARG A 57 -22.741 -15.408 -35.129 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -20.552 -14.501 -32.503 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -20.379 -12.837 -33.069 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -22.521 -13.268 -35.842 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -21.490 -12.141 -34.954 1.00 20.00 H new