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= 0 K(o=0,f=-0.8) USER MOD Single : A 19 ASN : amide:sc= -0.994 K(o=-0.99,f=-0.0086) USER MOD Single : A 20 SER OG : rot 180:sc= -0.576 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc=-0.00751 (180deg=-0.162) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 49 MET CE :methyl 161:sc= -0.0858 (180deg=-0.532) USER MOD Single : A 55 LYS NZ :NH3+ 129:sc= 1.21 (180deg=0.3) USER MOD Single : A 56 MET CE :methyl 157:sc= -0.173 (180deg=-0.78) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.583 0.410 2.871 1.00 20.00 N ATOM 365 CA GLU A 16 -30.683 -0.712 1.937 1.00 20.00 C ATOM 366 C GLU A 16 -29.353 -1.444 1.768 1.00 20.00 C ATOM 367 O GLU A 16 -29.333 -2.651 1.541 1.00 20.00 O ATOM 368 CB GLU A 16 -31.175 -0.219 0.573 1.00 20.00 C ATOM 369 CG GLU A 16 -30.233 0.765 -0.104 1.00 20.00 C ATOM 370 CD GLU A 16 -30.797 1.319 -1.392 1.00 20.00 C ATOM 371 OE1 GLU A 16 -30.602 0.690 -2.454 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.436 2.392 -1.350 1.00 20.00 O ATOM 0 HA GLU A 16 -31.399 -1.418 2.358 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.319 -1.078 -0.082 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.149 0.254 0.698 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.021 1.588 0.579 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.284 0.270 -0.311 1.00 20.00 H new ATOM 379 N GLN A 17 -28.245 -0.715 1.884 1.00 20.00 N ATOM 380 CA GLN A 17 -26.927 -1.315 1.693 1.00 20.00 C ATOM 381 C GLN A 17 -26.558 -2.204 2.879 1.00 20.00 C ATOM 382 O GLN A 17 -25.641 -3.018 2.793 1.00 20.00 O ATOM 383 CB GLN A 17 -25.851 -0.245 1.466 1.00 20.00 C ATOM 384 CG GLN A 17 -25.520 0.586 2.695 1.00 20.00 C ATOM 385 CD GLN A 17 -24.408 1.585 2.436 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.541 1.360 1.591 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.409 2.687 3.169 1.00 20.00 N ATOM 0 H GLN A 17 -28.233 0.280 2.107 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.975 -1.935 0.798 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -24.941 -0.732 1.116 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.182 0.422 0.670 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.414 1.118 3.022 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.227 -0.076 3.510 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.144 2.839 3.860 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -23.675 3.384 3.043 1.00 20.00 H new ATOM 396 N GLU A 18 -27.276 -2.045 3.983 1.00 20.00 N ATOM 397 CA GLU A 18 -27.097 -2.921 5.132 1.00 20.00 C ATOM 398 C GLU A 18 -27.856 -4.215 4.885 1.00 20.00 C ATOM 399 O GLU A 18 -27.368 -5.306 5.178 1.00 20.00 O ATOM 400 CB GLU A 18 -27.597 -2.248 6.419 1.00 20.00 C ATOM 401 CG GLU A 18 -27.373 -3.075 7.679 1.00 20.00 C ATOM 402 CD GLU A 18 -27.943 -2.417 8.920 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.502 -1.301 9.263 1.00 20.00 O ATOM 404 OE2 GLU A 18 -28.827 -3.013 9.567 1.00 20.00 O ATOM 0 H GLU A 18 -27.984 -1.321 4.107 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.035 -3.132 5.259 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.094 -1.288 6.533 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.662 -2.040 6.318 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.830 -4.056 7.551 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.304 -3.237 7.817 1.00 20.00 H new ATOM 411 N ASN A 19 -29.042 -4.078 4.305 1.00 20.00 N ATOM 412 CA ASN A 19 -29.889 -5.223 3.988 1.00 20.00 C ATOM 413 C ASN A 19 -29.219 -6.117 2.954 1.00 20.00 C ATOM 414 O ASN A 19 -29.186 -7.338 3.103 1.00 20.00 O ATOM 415 CB ASN A 19 -31.255 -4.768 3.458 1.00 20.00 C ATOM 416 CG ASN A 19 -32.094 -4.034 4.489 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.857 -3.128 4.148 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.978 -4.421 5.747 1.00 20.00 N ATOM 0 H ASN A 19 -29.442 -3.177 4.042 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.038 -5.787 4.909 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.103 -4.118 2.596 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.807 -5.639 3.106 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.531 -3.966 6.474 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.336 -5.175 5.992 1.00 20.00 H new ATOM 425 N SER A 20 -28.670 -5.505 1.913 1.00 20.00 N ATOM 426 CA SER A 20 -28.026 -6.251 0.845 1.00 20.00 C ATOM 427 C SER A 20 -26.751 -6.928 1.338 1.00 20.00 C ATOM 428 O SER A 20 -26.473 -8.076 0.988 1.00 20.00 O ATOM 429 CB SER A 20 -27.722 -5.323 -0.329 1.00 20.00 C ATOM 430 OG SER A 20 -27.074 -4.143 0.112 1.00 20.00 O ATOM 0 H SER A 20 -28.659 -4.493 1.787 1.00 20.00 H new ATOM 0 HA SER A 20 -28.709 -7.032 0.511 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.091 -5.840 -1.052 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.648 -5.064 -0.842 1.00 20.00 H new ATOM 0 HG SER A 20 -26.888 -3.565 -0.657 1.00 20.00 H new ATOM 436 N TYR A 21 -25.986 -6.223 2.160 1.00 20.00 N ATOM 437 CA TYR A 21 -24.762 -6.779 2.717 1.00 20.00 C ATOM 438 C TYR A 21 -25.096 -7.903 3.690 1.00 20.00 C ATOM 439 O TYR A 21 -24.380 -8.898 3.773 1.00 20.00 O ATOM 440 CB TYR A 21 -23.937 -5.695 3.416 1.00 20.00 C ATOM 441 CG TYR A 21 -22.554 -6.157 3.834 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.510 -6.200 2.917 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.294 -6.549 5.141 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.247 -6.621 3.292 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.034 -6.970 5.522 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.015 -7.004 4.595 1.00 20.00 C ATOM 447 OH TYR A 21 -18.758 -7.424 4.973 1.00 20.00 O ATOM 0 H TYR A 21 -26.191 -5.268 2.455 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.164 -7.183 1.900 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.838 -4.839 2.749 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.478 -5.351 4.298 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.688 -5.900 1.895 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.089 -6.524 5.871 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.447 -6.649 2.567 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -20.849 -7.271 6.542 1.00 20.00 H new ATOM 0 HH TYR A 21 -18.763 -7.657 5.925 1.00 20.00 H new ATOM 457 N ASN A 22 -26.191 -7.743 4.420 1.00 20.00 N ATOM 458 CA ASN A 22 -26.653 -8.781 5.333 1.00 20.00 C ATOM 459 C ASN A 22 -27.174 -9.981 4.545 1.00 20.00 C ATOM 460 O ASN A 22 -27.046 -11.127 4.976 1.00 20.00 O ATOM 461 CB ASN A 22 -27.735 -8.236 6.274 1.00 20.00 C ATOM 462 CG ASN A 22 -28.188 -9.261 7.297 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.534 -9.462 8.319 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.325 -9.894 7.048 1.00 20.00 N ATOM 0 H ASN A 22 -26.775 -6.907 4.399 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.811 -9.106 5.944 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.352 -7.356 6.791 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.593 -7.911 5.686 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.686 -10.575 7.716 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.839 -9.700 6.189 1.00 20.00 H new ATOM 471 N GLU A 23 -27.751 -9.704 3.381 1.00 20.00 N ATOM 472 CA GLU A 23 -28.169 -10.750 2.457 1.00 20.00 C ATOM 473 C GLU A 23 -26.944 -11.507 1.947 1.00 20.00 C ATOM 474 O GLU A 23 -26.955 -12.734 1.838 1.00 20.00 O ATOM 475 CB GLU A 23 -28.944 -10.137 1.288 1.00 20.00 C ATOM 476 CG GLU A 23 -29.469 -11.153 0.291 1.00 20.00 C ATOM 477 CD GLU A 23 -30.125 -10.498 -0.903 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.277 -10.039 -0.779 1.00 20.00 O ATOM 479 OE2 GLU A 23 -29.486 -10.425 -1.971 1.00 20.00 O ATOM 0 H GLU A 23 -27.941 -8.757 3.054 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.823 -11.450 2.977 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.783 -9.565 1.683 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.296 -9.433 0.766 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.647 -11.783 -0.049 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.188 -11.806 0.785 1.00 20.00 H new ATOM 486 N TRP A 24 -25.887 -10.758 1.654 1.00 20.00 N ATOM 487 CA TRP A 24 -24.612 -11.337 1.251 1.00 20.00 C ATOM 488 C TRP A 24 -24.024 -12.161 2.397 1.00 20.00 C ATOM 489 O TRP A 24 -23.507 -13.263 2.192 1.00 20.00 O ATOM 490 CB TRP A 24 -23.639 -10.222 0.831 1.00 20.00 C ATOM 491 CG TRP A 24 -22.272 -10.710 0.458 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.867 -11.150 -0.767 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.128 -10.796 1.316 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.543 -11.512 -0.723 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.067 -11.306 0.544 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.900 -10.497 2.661 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.799 -11.522 1.075 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.641 -10.711 3.186 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.604 -11.220 2.394 1.00 20.00 C ATOM 0 H TRP A 24 -25.890 -9.739 1.689 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.773 -11.997 0.399 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.064 -9.684 -0.016 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.547 -9.508 1.649 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.495 -11.206 -1.644 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.002 -11.876 -1.507 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.694 -10.105 3.279 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.997 -11.914 0.467 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.453 -10.482 4.225 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.630 -11.377 2.834 1.00 20.00 H new ATOM 510 N LEU A 25 -24.127 -11.622 3.608 1.00 20.00 N ATOM 511 CA LEU A 25 -23.649 -12.304 4.803 1.00 20.00 C ATOM 512 C LEU A 25 -24.389 -13.622 4.994 1.00 20.00 C ATOM 513 O LEU A 25 -23.806 -14.617 5.414 1.00 20.00 O ATOM 514 CB LEU A 25 -23.838 -11.415 6.037 1.00 20.00 C ATOM 515 CG LEU A 25 -23.363 -12.018 7.363 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.857 -12.243 7.346 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.756 -11.119 8.524 1.00 20.00 C ATOM 0 H LEU A 25 -24.541 -10.707 3.787 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.586 -12.512 4.678 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.306 -10.478 5.873 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.896 -11.170 6.128 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.849 -12.985 7.493 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.542 -12.672 8.298 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.600 -12.927 6.537 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.349 -11.291 7.191 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.412 -11.561 9.459 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.298 -10.138 8.396 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.840 -11.012 8.551 1.00 20.00 H new ATOM 529 N ARG A 26 -25.675 -13.615 4.661 1.00 20.00 N ATOM 530 CA ARG A 26 -26.510 -14.806 4.773 1.00 20.00 C ATOM 531 C ARG A 26 -25.963 -15.930 3.895 1.00 20.00 C ATOM 532 O ARG A 26 -25.953 -17.092 4.296 1.00 20.00 O ATOM 533 CB ARG A 26 -27.955 -14.474 4.380 1.00 20.00 C ATOM 534 CG ARG A 26 -28.924 -15.637 4.539 1.00 20.00 C ATOM 535 CD ARG A 26 -30.348 -15.225 4.187 1.00 20.00 C ATOM 536 NE ARG A 26 -30.468 -14.786 2.794 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.472 -14.038 2.329 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.424 -13.607 3.147 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.514 -13.711 1.042 1.00 20.00 N ATOM 0 H ARG A 26 -26.165 -12.792 4.309 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.497 -15.145 5.809 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.303 -13.639 4.988 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.971 -14.141 3.342 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.613 -16.462 3.898 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.892 -16.002 5.566 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -31.021 -16.065 4.361 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.666 -14.419 4.849 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.739 -15.069 2.139 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.392 -13.847 4.138 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.188 -13.036 2.785 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.780 -14.031 0.410 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.280 -13.140 0.686 1.00 20.00 H new ATOM 553 N ALA A 27 -25.481 -15.572 2.710 1.00 20.00 N ATOM 554 CA ALA A 27 -24.911 -16.547 1.789 1.00 20.00 C ATOM 555 C ALA A 27 -23.584 -17.076 2.318 1.00 20.00 C ATOM 556 O ALA A 27 -23.207 -18.221 2.065 1.00 20.00 O ATOM 557 CB ALA A 27 -24.722 -15.929 0.415 1.00 20.00 C ATOM 0 H ALA A 27 -25.474 -14.612 2.365 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.605 -17.383 1.704 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.295 -16.670 -0.262 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.686 -15.598 0.029 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.048 -15.075 0.490 1.00 20.00 H new ATOM 563 N LYS A 28 -22.884 -16.229 3.058 1.00 20.00 N ATOM 564 CA LYS A 28 -21.617 -16.604 3.669 1.00 20.00 C ATOM 565 C LYS A 28 -21.858 -17.550 4.842 1.00 20.00 C ATOM 566 O LYS A 28 -21.165 -18.557 4.999 1.00 20.00 O ATOM 567 CB LYS A 28 -20.864 -15.351 4.132 1.00 20.00 C ATOM 568 CG LYS A 28 -19.539 -15.636 4.821 1.00 20.00 C ATOM 569 CD LYS A 28 -18.835 -14.345 5.209 1.00 20.00 C ATOM 570 CE LYS A 28 -17.531 -14.607 5.956 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.592 -15.445 5.165 1.00 20.00 N ATOM 0 H LYS A 28 -23.175 -15.271 3.251 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.006 -17.121 2.929 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.681 -14.712 3.268 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.502 -14.790 4.815 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.711 -16.242 5.711 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.899 -16.218 4.158 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.628 -13.761 4.312 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.497 -13.745 5.834 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.054 -13.657 6.196 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.749 -15.102 6.902 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.662 -15.458 5.631 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.961 -16.415 5.102 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.495 -15.049 4.208 1.00 20.00 H new ATOM 585 N VAL A 29 -22.855 -17.220 5.655 1.00 20.00 N ATOM 586 CA VAL A 29 -23.231 -18.046 6.795 1.00 20.00 C ATOM 587 C VAL A 29 -23.776 -19.396 6.329 1.00 20.00 C ATOM 588 O VAL A 29 -23.535 -20.431 6.957 1.00 20.00 O ATOM 589 CB VAL A 29 -24.280 -17.332 7.678 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.754 -18.235 8.804 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.712 -16.041 8.245 1.00 20.00 C ATOM 0 H VAL A 29 -23.421 -16.379 5.544 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.334 -18.214 7.391 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.137 -17.092 7.049 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.491 -17.706 9.409 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.206 -19.133 8.384 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.905 -18.514 9.429 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.465 -15.553 8.864 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.834 -16.265 8.851 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.429 -15.378 7.427 1.00 20.00 H new ATOM 772 N HIS A 42 -40.641 -25.562 -7.114 1.00 20.00 N ATOM 773 CA HIS A 42 -41.875 -24.841 -6.797 1.00 20.00 C ATOM 774 C HIS A 42 -42.027 -23.578 -7.642 1.00 20.00 C ATOM 775 O HIS A 42 -43.084 -22.954 -7.638 1.00 20.00 O ATOM 776 CB HIS A 42 -41.930 -24.467 -5.305 1.00 20.00 C ATOM 777 CG HIS A 42 -41.053 -23.307 -4.921 1.00 20.00 C ATOM 778 ND1 HIS A 42 -41.556 -22.075 -4.554 1.00 20.00 N ATOM 779 CD2 HIS A 42 -39.706 -23.196 -4.843 1.00 20.00 C ATOM 780 CE1 HIS A 42 -40.557 -21.261 -4.275 1.00 20.00 C ATOM 781 NE2 HIS A 42 -39.425 -21.917 -4.440 1.00 20.00 N ATOM 0 HA HIS A 42 -42.700 -25.514 -7.030 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -42.961 -24.230 -5.040 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -41.641 -25.336 -4.714 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -38.986 -23.972 -5.059 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -40.650 -20.231 -3.964 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -38.491 -21.534 -4.292 1.00 20.00 H new ATOM 790 N ASP A 43 -40.964 -23.205 -8.346 1.00 20.00 N ATOM 791 CA ASP A 43 -40.951 -21.973 -9.131 1.00 20.00 C ATOM 792 C ASP A 43 -42.067 -21.963 -10.168 1.00 20.00 C ATOM 793 O ASP A 43 -42.887 -21.045 -10.208 1.00 20.00 O ATOM 794 CB ASP A 43 -39.602 -21.793 -9.831 1.00 20.00 C ATOM 795 CG ASP A 43 -38.447 -21.740 -8.859 1.00 20.00 C ATOM 796 OD1 ASP A 43 -37.914 -22.814 -8.509 1.00 20.00 O ATOM 797 OD2 ASP A 43 -38.075 -20.627 -8.436 1.00 20.00 O ATOM 0 H ASP A 43 -40.096 -23.739 -8.390 1.00 20.00 H new ATOM 0 HA ASP A 43 -41.112 -21.146 -8.440 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -39.447 -22.615 -10.530 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -39.621 -20.875 -10.418 1.00 20.00 H new ATOM 802 N GLU A 44 -42.102 -22.999 -10.992 1.00 20.00 N ATOM 803 CA GLU A 44 -43.093 -23.098 -12.053 1.00 20.00 C ATOM 804 C GLU A 44 -44.488 -23.314 -11.479 1.00 20.00 C ATOM 805 O GLU A 44 -45.479 -22.830 -12.030 1.00 20.00 O ATOM 806 CB GLU A 44 -42.736 -24.227 -13.022 1.00 20.00 C ATOM 807 CG GLU A 44 -41.588 -23.897 -13.970 1.00 20.00 C ATOM 808 CD GLU A 44 -40.297 -23.542 -13.259 1.00 20.00 C ATOM 809 OE1 GLU A 44 -39.639 -24.458 -12.723 1.00 20.00 O ATOM 810 OE2 GLU A 44 -39.931 -22.345 -13.243 1.00 20.00 O ATOM 0 H GLU A 44 -41.454 -23.785 -10.946 1.00 20.00 H new ATOM 0 HA GLU A 44 -43.092 -22.156 -12.601 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -42.474 -25.115 -12.447 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -43.618 -24.478 -13.611 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.410 -24.751 -14.623 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -41.883 -23.064 -14.608 1.00 20.00 H new ATOM 817 N VAL A 45 -44.559 -24.036 -10.365 1.00 20.00 N ATOM 818 CA VAL A 45 -45.824 -24.252 -9.677 1.00 20.00 C ATOM 819 C VAL A 45 -46.399 -22.918 -9.229 1.00 20.00 C ATOM 820 O VAL A 45 -47.554 -22.601 -9.509 1.00 20.00 O ATOM 821 CB VAL A 45 -45.661 -25.171 -8.449 1.00 20.00 C ATOM 822 CG1 VAL A 45 -46.997 -25.382 -7.750 1.00 20.00 C ATOM 823 CG2 VAL A 45 -45.051 -26.503 -8.851 1.00 20.00 C ATOM 0 H VAL A 45 -43.755 -24.480 -9.921 1.00 20.00 H new ATOM 0 HA VAL A 45 -46.500 -24.740 -10.379 1.00 20.00 H new ATOM 0 HB VAL A 45 -44.984 -24.682 -7.748 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -46.857 -26.033 -6.887 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -47.390 -24.421 -7.419 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -47.701 -25.843 -8.443 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -44.945 -27.135 -7.970 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -45.699 -26.996 -9.576 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -44.071 -26.335 -9.297 1.00 20.00 H new ATOM 833 N GLU A 46 -45.561 -22.134 -8.563 1.00 20.00 N ATOM 834 CA GLU A 46 -45.940 -20.816 -8.066 1.00 20.00 C ATOM 835 C GLU A 46 -46.381 -19.912 -9.210 1.00 20.00 C ATOM 836 O GLU A 46 -47.367 -19.185 -9.092 1.00 20.00 O ATOM 837 CB GLU A 46 -44.764 -20.182 -7.317 1.00 20.00 C ATOM 838 CG GLU A 46 -45.075 -18.829 -6.698 1.00 20.00 C ATOM 839 CD GLU A 46 -43.887 -18.249 -5.959 1.00 20.00 C ATOM 840 OE1 GLU A 46 -43.022 -17.625 -6.608 1.00 20.00 O ATOM 841 OE2 GLU A 46 -43.809 -18.417 -4.725 1.00 20.00 O ATOM 0 H GLU A 46 -44.598 -22.394 -8.351 1.00 20.00 H new ATOM 0 HA GLU A 46 -46.779 -20.934 -7.381 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -44.440 -20.863 -6.530 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -43.927 -20.070 -8.006 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -45.387 -18.137 -7.480 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -45.914 -18.931 -6.010 1.00 20.00 H new ATOM 848 N ARG A 47 -45.653 -19.978 -10.321 1.00 20.00 N ATOM 849 CA ARG A 47 -45.961 -19.166 -11.491 1.00 20.00 C ATOM 850 C ARG A 47 -47.369 -19.462 -12.006 1.00 20.00 C ATOM 851 O ARG A 47 -48.196 -18.557 -12.130 1.00 20.00 O ATOM 852 CB ARG A 47 -44.933 -19.414 -12.602 1.00 20.00 C ATOM 853 CG ARG A 47 -45.209 -18.628 -13.876 1.00 20.00 C ATOM 854 CD ARG A 47 -45.150 -17.128 -13.633 1.00 20.00 C ATOM 855 NE ARG A 47 -45.551 -16.369 -14.813 1.00 20.00 N ATOM 856 CZ ARG A 47 -44.919 -15.285 -15.254 1.00 20.00 C ATOM 857 NH1 ARG A 47 -43.843 -14.836 -14.620 1.00 20.00 N ATOM 858 NH2 ARG A 47 -45.362 -14.651 -16.333 1.00 20.00 N ATOM 0 H ARG A 47 -44.843 -20.588 -10.434 1.00 20.00 H new ATOM 0 HA ARG A 47 -45.915 -18.118 -11.194 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -43.941 -19.153 -12.232 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -44.916 -20.478 -12.838 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -44.480 -18.902 -14.638 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -46.192 -18.896 -14.264 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -45.800 -16.870 -12.797 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -44.137 -16.846 -13.347 1.00 20.00 H new ATOM 0 HE ARG A 47 -46.368 -16.690 -15.333 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -43.499 -15.323 -13.792 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -43.360 -14.004 -14.961 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -46.187 -14.995 -16.824 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -44.877 -13.820 -16.671 1.00 20.00 H new ATOM 872 N ARG A 48 -47.643 -20.733 -12.287 1.00 20.00 N ATOM 873 CA ARG A 48 -48.942 -21.129 -12.816 1.00 20.00 C ATOM 874 C ARG A 48 -50.036 -20.931 -11.773 1.00 20.00 C ATOM 875 O ARG A 48 -51.173 -20.618 -12.112 1.00 20.00 O ATOM 876 CB ARG A 48 -48.927 -22.588 -13.289 1.00 20.00 C ATOM 877 CG ARG A 48 -47.910 -22.874 -14.385 1.00 20.00 C ATOM 878 CD ARG A 48 -48.069 -24.277 -14.949 1.00 20.00 C ATOM 879 NE ARG A 48 -47.022 -24.601 -15.919 1.00 20.00 N ATOM 880 CZ ARG A 48 -47.118 -25.570 -16.833 1.00 20.00 C ATOM 881 NH1 ARG A 48 -48.243 -26.263 -16.963 1.00 20.00 N ATOM 882 NH2 ARG A 48 -46.094 -25.829 -17.632 1.00 20.00 N ATOM 0 H ARG A 48 -46.986 -21.502 -12.158 1.00 20.00 H new ATOM 0 HA ARG A 48 -49.155 -20.491 -13.674 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -48.718 -23.233 -12.436 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -49.920 -22.852 -13.652 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -48.025 -22.145 -15.187 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -46.903 -22.754 -13.987 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -48.044 -25.000 -14.134 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -49.045 -24.367 -15.426 1.00 20.00 H new ATOM 0 HE ARG A 48 -46.163 -24.051 -15.895 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -49.041 -26.057 -16.363 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -48.309 -27.002 -17.663 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -45.233 -25.289 -17.549 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -46.166 -26.569 -18.330 1.00 20.00 H new ATOM 896 N MET A 49 -49.679 -21.096 -10.504 1.00 20.00 N ATOM 897 CA MET A 49 -50.631 -20.928 -9.411 1.00 20.00 C ATOM 898 C MET A 49 -51.049 -19.467 -9.286 1.00 20.00 C ATOM 899 O MET A 49 -52.232 -19.160 -9.124 1.00 20.00 O ATOM 900 CB MET A 49 -50.018 -21.413 -8.095 1.00 20.00 C ATOM 901 CG MET A 49 -50.998 -21.448 -6.936 1.00 20.00 C ATOM 902 SD MET A 49 -52.371 -22.584 -7.219 1.00 20.00 S ATOM 903 CE MET A 49 -51.507 -24.152 -7.290 1.00 20.00 C ATOM 0 H MET A 49 -48.736 -21.346 -10.206 1.00 20.00 H new ATOM 0 HA MET A 49 -51.516 -21.526 -9.630 1.00 20.00 H new ATOM 0 HB2 MET A 49 -49.609 -22.413 -8.243 1.00 20.00 H new ATOM 0 HB3 MET A 49 -49.183 -20.763 -7.833 1.00 20.00 H new ATOM 0 HG2 MET A 49 -50.471 -21.741 -6.028 1.00 20.00 H new ATOM 0 HG3 MET A 49 -51.390 -20.445 -6.767 1.00 20.00 H new ATOM 0 HE1 MET A 49 -52.214 -24.965 -7.122 1.00 20.00 H new ATOM 0 HE2 MET A 49 -51.046 -24.269 -8.271 1.00 20.00 H new ATOM 0 HE3 MET A 49 -50.735 -24.177 -6.521 1.00 20.00 H new ATOM 913 N ALA A 50 -50.073 -18.569 -9.378 1.00 20.00 N ATOM 914 CA ALA A 50 -50.334 -17.140 -9.294 1.00 20.00 C ATOM 915 C ALA A 50 -51.174 -16.678 -10.473 1.00 20.00 C ATOM 916 O ALA A 50 -52.181 -15.990 -10.300 1.00 20.00 O ATOM 917 CB ALA A 50 -49.027 -16.364 -9.241 1.00 20.00 C ATOM 0 H ALA A 50 -49.091 -18.809 -9.511 1.00 20.00 H new ATOM 0 HA ALA A 50 -50.892 -16.947 -8.377 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -49.240 -15.297 -9.178 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -48.456 -16.672 -8.365 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -48.447 -16.566 -10.142 1.00 20.00 H new ATOM 923 N GLU A 51 -50.767 -17.082 -11.671 1.00 20.00 N ATOM 924 CA GLU A 51 -51.490 -16.721 -12.883 1.00 20.00 C ATOM 925 C GLU A 51 -52.885 -17.328 -12.886 1.00 20.00 C ATOM 926 O GLU A 51 -53.797 -16.793 -13.503 1.00 20.00 O ATOM 927 CB GLU A 51 -50.731 -17.167 -14.130 1.00 20.00 C ATOM 928 CG GLU A 51 -49.476 -16.360 -14.412 1.00 20.00 C ATOM 929 CD GLU A 51 -48.943 -16.612 -15.804 1.00 20.00 C ATOM 930 OE1 GLU A 51 -49.655 -16.295 -16.782 1.00 20.00 O ATOM 931 OE2 GLU A 51 -47.818 -17.137 -15.935 1.00 20.00 O ATOM 0 H GLU A 51 -49.941 -17.659 -11.828 1.00 20.00 H new ATOM 0 HA GLU A 51 -51.579 -15.635 -12.898 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -50.458 -18.217 -14.021 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -51.396 -17.098 -14.991 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -49.693 -15.298 -14.293 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -48.710 -16.613 -13.679 1.00 20.00 H new ATOM 938 N ARG A 52 -53.050 -18.435 -12.185 1.00 20.00 N ATOM 939 CA ARG A 52 -54.338 -19.104 -12.104 1.00 20.00 C ATOM 940 C ARG A 52 -55.353 -18.219 -11.383 1.00 20.00 C ATOM 941 O ARG A 52 -56.548 -18.245 -11.681 1.00 20.00 O ATOM 942 CB ARG A 52 -54.180 -20.439 -11.379 1.00 20.00 C ATOM 943 CG ARG A 52 -55.403 -21.334 -11.442 1.00 20.00 C ATOM 944 CD ARG A 52 -55.132 -22.667 -10.767 1.00 20.00 C ATOM 945 NE ARG A 52 -53.943 -23.322 -11.314 1.00 20.00 N ATOM 946 CZ ARG A 52 -53.386 -24.411 -10.794 1.00 20.00 C ATOM 947 NH1 ARG A 52 -53.929 -25.003 -9.735 1.00 20.00 N ATOM 948 NH2 ARG A 52 -52.290 -24.917 -11.343 1.00 20.00 N ATOM 0 H ARG A 52 -52.304 -18.893 -11.661 1.00 20.00 H new ATOM 0 HA ARG A 52 -54.706 -19.291 -13.113 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -53.331 -20.973 -11.807 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -53.940 -20.245 -10.334 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -56.245 -20.841 -10.957 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -55.685 -21.499 -12.482 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -55.001 -22.512 -9.696 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -55.996 -23.320 -10.891 1.00 20.00 H new ATOM 0 HE ARG A 52 -53.515 -22.917 -12.147 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -54.778 -24.622 -9.317 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -53.497 -25.838 -9.340 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -51.877 -24.471 -12.162 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -51.860 -25.753 -10.946 1.00 20.00 H new ATOM 962 N PHE A 53 -54.867 -17.432 -10.432 1.00 20.00 N ATOM 963 CA PHE A 53 -55.717 -16.507 -9.699 1.00 20.00 C ATOM 964 C PHE A 53 -55.760 -15.147 -10.391 1.00 20.00 C ATOM 965 O PHE A 53 -56.737 -14.408 -10.279 1.00 20.00 O ATOM 966 CB PHE A 53 -55.215 -16.348 -8.261 1.00 20.00 C ATOM 967 CG PHE A 53 -56.077 -15.446 -7.421 1.00 20.00 C ATOM 968 CD1 PHE A 53 -57.358 -15.830 -7.054 1.00 20.00 C ATOM 969 CD2 PHE A 53 -55.608 -14.211 -6.999 1.00 20.00 C ATOM 970 CE1 PHE A 53 -58.152 -15.000 -6.285 1.00 20.00 C ATOM 971 CE2 PHE A 53 -56.399 -13.379 -6.230 1.00 20.00 C ATOM 972 CZ PHE A 53 -57.672 -13.775 -5.873 1.00 20.00 C ATOM 0 H PHE A 53 -53.887 -17.417 -10.151 1.00 20.00 H new ATOM 0 HA PHE A 53 -56.727 -16.917 -9.678 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -55.165 -17.330 -7.791 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -54.200 -15.952 -8.281 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -57.740 -16.789 -7.373 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -54.613 -13.896 -7.275 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -59.148 -15.311 -6.007 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -56.021 -12.420 -5.909 1.00 20.00 H new ATOM 0 HZ PHE A 53 -58.291 -13.126 -5.272 1.00 20.00 H new ATOM 982 N ALA A 54 -54.699 -14.821 -11.107 1.00 20.00 N ATOM 983 CA ALA A 54 -54.599 -13.534 -11.774 1.00 20.00 C ATOM 984 C ALA A 54 -55.354 -13.523 -13.099 1.00 20.00 C ATOM 985 O ALA A 54 -56.155 -12.625 -13.364 1.00 20.00 O ATOM 986 CB ALA A 54 -53.138 -13.174 -11.991 1.00 20.00 C ATOM 0 H ALA A 54 -53.892 -15.431 -11.242 1.00 20.00 H new ATOM 0 HA ALA A 54 -55.062 -12.786 -11.130 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -53.072 -12.208 -12.491 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -52.630 -13.119 -11.028 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -52.663 -13.936 -12.609 1.00 20.00 H new ATOM 992 N LYS A 55 -55.120 -14.541 -13.916 1.00 20.00 N ATOM 993 CA LYS A 55 -55.643 -14.571 -15.276 1.00 20.00 C ATOM 994 C LYS A 55 -57.102 -15.003 -15.315 1.00 20.00 C ATOM 995 O LYS A 55 -57.698 -15.094 -16.388 1.00 20.00 O ATOM 996 CB LYS A 55 -54.799 -15.494 -16.156 1.00 20.00 C ATOM 997 CG LYS A 55 -53.324 -15.114 -16.203 1.00 20.00 C ATOM 998 CD LYS A 55 -53.130 -13.681 -16.666 1.00 20.00 C ATOM 999 CE LYS A 55 -51.659 -13.318 -16.785 1.00 20.00 C ATOM 1000 NZ LYS A 55 -50.945 -14.180 -17.763 1.00 20.00 N ATOM 0 H LYS A 55 -54.569 -15.360 -13.660 1.00 20.00 H new ATOM 0 HA LYS A 55 -55.587 -13.554 -15.665 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -54.890 -16.516 -15.788 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -55.201 -15.483 -17.169 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -52.884 -15.240 -15.214 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -52.795 -15.789 -16.876 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -53.617 -13.542 -17.631 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -53.615 -13.004 -15.963 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -51.567 -12.275 -17.088 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -51.184 -13.409 -15.808 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -50.421 -13.583 -18.434 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -50.280 -14.800 -17.258 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -51.634 -14.761 -18.282 1.00 20.00 H new ATOM 1014 N MET A 56 -57.679 -15.281 -14.153 1.00 20.00 N ATOM 1015 CA MET A 56 -59.105 -15.567 -14.081 1.00 20.00 C ATOM 1016 C MET A 56 -59.883 -14.259 -14.103 1.00 20.00 C ATOM 1017 O MET A 56 -61.064 -14.228 -14.446 1.00 20.00 O ATOM 1018 CB MET A 56 -59.460 -16.409 -12.841 1.00 20.00 C ATOM 1019 CG MET A 56 -59.112 -15.774 -11.498 1.00 20.00 C ATOM 1020 SD MET A 56 -60.221 -14.435 -11.005 1.00 20.00 S ATOM 1021 CE MET A 56 -61.779 -15.308 -10.852 1.00 20.00 C ATOM 0 H MET A 56 -57.189 -15.314 -13.259 1.00 20.00 H new ATOM 0 HA MET A 56 -59.384 -16.164 -14.950 1.00 20.00 H new ATOM 0 HB2 MET A 56 -60.530 -16.618 -12.859 1.00 20.00 H new ATOM 0 HB3 MET A 56 -58.947 -17.368 -12.914 1.00 20.00 H new ATOM 0 HG2 MET A 56 -59.127 -16.546 -10.729 1.00 20.00 H new ATOM 0 HG3 MET A 56 -58.093 -15.389 -11.543 1.00 20.00 H new ATOM 0 HE1 MET A 56 -62.443 -14.754 -10.188 1.00 20.00 H new ATOM 0 HE2 MET A 56 -62.243 -15.400 -11.834 1.00 20.00 H new ATOM 0 HE3 MET A 56 -61.601 -16.301 -10.441 1.00 20.00 H new ATOM 1031 N ARG A 57 -59.198 -13.177 -13.747 1.00 20.00 N ATOM 1032 CA ARG A 57 -59.786 -11.850 -13.783 1.00 20.00 C ATOM 1033 C ARG A 57 -59.589 -11.230 -15.160 1.00 20.00 C ATOM 1034 O ARG A 57 -60.496 -10.602 -15.704 1.00 20.00 O ATOM 1035 CB ARG A 57 -59.167 -10.955 -12.700 1.00 20.00 C ATOM 1036 CG ARG A 57 -59.684 -9.516 -12.692 1.00 20.00 C ATOM 1037 CD ARG A 57 -61.170 -9.427 -12.359 1.00 20.00 C ATOM 1038 NE ARG A 57 -62.014 -9.998 -13.411 1.00 20.00 N ATOM 1039 CZ ARG A 57 -63.227 -10.505 -13.201 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -63.772 -10.455 -11.992 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -63.897 -11.055 -14.206 1.00 20.00 N ATOM 0 H ARG A 57 -58.229 -13.198 -13.429 1.00 20.00 H new ATOM 0 HA ARG A 57 -60.854 -11.937 -13.585 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -59.359 -11.402 -11.724 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -58.086 -10.938 -12.835 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -59.117 -8.935 -11.965 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -59.507 -9.065 -13.668 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -61.361 -9.948 -11.421 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -61.443 -8.383 -12.205 1.00 20.00 H new ATOM 0 HE ARG A 57 -61.650 -10.008 -14.364 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -63.261 -10.027 -11.220 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -64.702 -10.845 -11.835 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -63.482 -11.089 -15.137 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -64.826 -11.444 -14.047 1.00 20.00 H new