USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 254 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc=-0.00282 K(o=-0.011,f=-1.3) USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 22 ASN : amide:sc=-0.00817 K(o=-0.011,f=-1) USER MOD Single : A 17 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.3) USER MOD Single : A 20 SER OG : rot 28:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0168 (180deg=-0.245) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 49 MET CE :methyl 163:sc= 0 (180deg=-0.152) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.762 0.014 2.497 1.00 20.00 N ATOM 365 CA GLU A 16 -31.757 -1.314 1.896 1.00 20.00 C ATOM 366 C GLU A 16 -30.386 -1.656 1.328 1.00 20.00 C ATOM 367 O GLU A 16 -29.974 -2.815 1.335 1.00 20.00 O ATOM 368 CB GLU A 16 -32.806 -1.426 0.793 1.00 20.00 C ATOM 369 CG GLU A 16 -34.236 -1.388 1.292 1.00 20.00 C ATOM 370 CD GLU A 16 -35.195 -2.052 0.331 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.667 -1.383 -0.617 1.00 20.00 O ATOM 372 OE2 GLU A 16 -35.478 -3.254 0.515 1.00 20.00 O ATOM 0 HA GLU A 16 -32.000 -2.024 2.687 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.659 -0.612 0.083 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.647 -2.357 0.249 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.294 -1.884 2.261 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.538 -0.352 1.446 1.00 20.00 H new ATOM 379 N GLN A 17 -29.686 -0.647 0.829 1.00 20.00 N ATOM 380 CA GLN A 17 -28.354 -0.840 0.278 1.00 20.00 C ATOM 381 C GLN A 17 -27.366 -1.164 1.393 1.00 20.00 C ATOM 382 O GLN A 17 -26.454 -1.974 1.218 1.00 20.00 O ATOM 383 CB GLN A 17 -27.902 0.412 -0.480 1.00 20.00 C ATOM 384 CG GLN A 17 -26.603 0.229 -1.245 1.00 20.00 C ATOM 385 CD GLN A 17 -26.709 -0.846 -2.310 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.428 -2.017 -2.058 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.120 -0.459 -3.506 1.00 20.00 N ATOM 0 H GLN A 17 -30.020 0.316 0.795 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.385 -1.677 -0.420 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -28.686 0.706 -1.178 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.783 1.232 0.229 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.323 1.173 -1.712 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.807 -0.031 -0.548 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.344 0.522 -3.676 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.213 -1.141 -4.259 1.00 20.00 H new ATOM 396 N GLU A 18 -27.569 -0.543 2.547 1.00 20.00 N ATOM 397 CA GLU A 18 -26.690 -0.749 3.689 1.00 20.00 C ATOM 398 C GLU A 18 -27.052 -2.044 4.414 1.00 20.00 C ATOM 399 O GLU A 18 -26.180 -2.780 4.868 1.00 20.00 O ATOM 400 CB GLU A 18 -26.778 0.436 4.659 1.00 20.00 C ATOM 401 CG GLU A 18 -26.540 1.793 4.008 1.00 20.00 C ATOM 402 CD GLU A 18 -25.216 1.880 3.277 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.173 1.563 2.071 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.216 2.283 3.900 1.00 20.00 O ATOM 0 H GLU A 18 -28.336 0.108 2.717 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.667 -0.825 3.322 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.763 0.437 5.126 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.048 0.294 5.456 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.349 1.999 3.307 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.576 2.568 4.774 1.00 20.00 H new ATOM 411 N ASN A 19 -28.349 -2.318 4.501 1.00 20.00 N ATOM 412 CA ASN A 19 -28.861 -3.519 5.166 1.00 20.00 C ATOM 413 C ASN A 19 -28.591 -4.755 4.311 1.00 20.00 C ATOM 414 O ASN A 19 -28.679 -5.889 4.782 1.00 20.00 O ATOM 415 CB ASN A 19 -30.366 -3.383 5.424 1.00 20.00 C ATOM 416 CG ASN A 19 -30.906 -4.459 6.350 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.207 -4.932 7.246 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.156 -4.851 6.142 1.00 20.00 N ATOM 0 H ASN A 19 -29.077 -1.717 4.114 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.347 -3.631 6.121 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.568 -2.403 5.857 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.898 -3.428 4.474 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.571 -5.569 6.736 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.703 -4.434 5.388 1.00 20.00 H new ATOM 425 N SER A 20 -28.252 -4.514 3.051 1.00 20.00 N ATOM 426 CA SER A 20 -27.990 -5.578 2.089 1.00 20.00 C ATOM 427 C SER A 20 -26.832 -6.474 2.541 1.00 20.00 C ATOM 428 O SER A 20 -26.691 -7.596 2.061 1.00 20.00 O ATOM 429 CB SER A 20 -27.683 -4.964 0.716 1.00 20.00 C ATOM 430 OG SER A 20 -27.543 -5.954 -0.289 1.00 20.00 O ATOM 0 H SER A 20 -28.151 -3.575 2.666 1.00 20.00 H new ATOM 0 HA SER A 20 -28.880 -6.203 2.020 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.483 -4.277 0.439 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.766 -4.378 0.778 1.00 20.00 H new ATOM 0 HG SER A 20 -28.078 -6.740 -0.051 1.00 20.00 H new ATOM 436 N TYR A 21 -26.025 -5.984 3.486 1.00 20.00 N ATOM 437 CA TYR A 21 -24.854 -6.719 3.970 1.00 20.00 C ATOM 438 C TYR A 21 -25.237 -8.112 4.475 1.00 20.00 C ATOM 439 O TYR A 21 -24.426 -9.039 4.430 1.00 20.00 O ATOM 440 CB TYR A 21 -24.137 -5.932 5.080 1.00 20.00 C ATOM 441 CG TYR A 21 -24.863 -5.902 6.414 1.00 20.00 C ATOM 442 CD1 TYR A 21 -26.001 -5.130 6.592 1.00 20.00 C ATOM 443 CD2 TYR A 21 -24.398 -6.640 7.498 1.00 20.00 C ATOM 444 CE1 TYR A 21 -26.658 -5.091 7.805 1.00 20.00 C ATOM 445 CE2 TYR A 21 -25.053 -6.606 8.715 1.00 20.00 C ATOM 446 CZ TYR A 21 -26.182 -5.830 8.863 1.00 20.00 C ATOM 447 OH TYR A 21 -26.837 -5.789 10.072 1.00 20.00 O ATOM 0 H TYR A 21 -26.162 -5.077 3.933 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.173 -6.840 3.128 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.148 -6.364 5.231 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.988 -4.907 4.741 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -26.381 -4.548 5.765 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.512 -7.248 7.387 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -27.542 -4.483 7.923 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -24.681 -7.186 9.547 1.00 20.00 H new ATOM 0 HH TYR A 21 -26.375 -6.367 10.714 1.00 20.00 H new ATOM 457 N ASN A 22 -26.481 -8.253 4.934 1.00 20.00 N ATOM 458 CA ASN A 22 -26.984 -9.531 5.444 1.00 20.00 C ATOM 459 C ASN A 22 -26.976 -10.602 4.361 1.00 20.00 C ATOM 460 O ASN A 22 -26.831 -11.789 4.652 1.00 20.00 O ATOM 461 CB ASN A 22 -28.407 -9.379 5.988 1.00 20.00 C ATOM 462 CG ASN A 22 -28.464 -8.612 7.294 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.538 -8.661 8.101 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.556 -7.898 7.513 1.00 20.00 N ATOM 0 H ASN A 22 -27.162 -7.495 4.963 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.318 -9.839 6.250 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.021 -8.868 5.246 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.841 -10.368 6.135 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.651 -7.363 8.376 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.303 -7.883 6.819 1.00 20.00 H new ATOM 471 N GLU A 23 -27.116 -10.181 3.111 1.00 20.00 N ATOM 472 CA GLU A 23 -27.171 -11.111 1.991 1.00 20.00 C ATOM 473 C GLU A 23 -25.855 -11.868 1.848 1.00 20.00 C ATOM 474 O GLU A 23 -25.845 -13.053 1.522 1.00 20.00 O ATOM 475 CB GLU A 23 -27.517 -10.367 0.697 1.00 20.00 C ATOM 476 CG GLU A 23 -28.924 -9.785 0.699 1.00 20.00 C ATOM 477 CD GLU A 23 -29.223 -8.953 -0.529 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.278 -9.515 -1.642 1.00 20.00 O ATOM 479 OE2 GLU A 23 -29.423 -7.728 -0.392 1.00 20.00 O ATOM 0 H GLU A 23 -27.194 -9.199 2.847 1.00 20.00 H new ATOM 0 HA GLU A 23 -27.956 -11.841 2.188 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -26.798 -9.562 0.545 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.414 -11.050 -0.146 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.647 -10.598 0.765 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.055 -9.169 1.589 1.00 20.00 H new ATOM 486 N TRP A 24 -24.749 -11.190 2.131 1.00 20.00 N ATOM 487 CA TRP A 24 -23.437 -11.824 2.094 1.00 20.00 C ATOM 488 C TRP A 24 -23.293 -12.827 3.233 1.00 20.00 C ATOM 489 O TRP A 24 -22.580 -13.822 3.110 1.00 20.00 O ATOM 490 CB TRP A 24 -22.327 -10.775 2.158 1.00 20.00 C ATOM 491 CG TRP A 24 -22.114 -10.070 0.857 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.196 -10.391 -0.098 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.832 -8.935 0.358 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.297 -9.527 -1.158 1.00 20.00 N ATOM 495 CE2 TRP A 24 -22.293 -8.624 -0.902 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.877 -8.151 0.852 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -22.761 -7.565 -1.674 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -24.342 -7.099 0.085 1.00 20.00 C ATOM 499 CH2 TRP A 24 -23.785 -6.815 -1.166 1.00 20.00 C ATOM 0 H TRP A 24 -24.735 -10.203 2.388 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.345 -12.361 1.150 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.571 -10.042 2.927 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -21.397 -11.256 2.461 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.492 -11.207 -0.030 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.723 -9.553 -2.001 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.314 -8.363 1.817 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -22.331 -7.344 -2.640 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -25.149 -6.486 0.458 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -24.171 -5.987 -1.742 1.00 20.00 H new ATOM 510 N LEU A 25 -23.989 -12.570 4.333 1.00 20.00 N ATOM 511 CA LEU A 25 -24.005 -13.499 5.456 1.00 20.00 C ATOM 512 C LEU A 25 -24.794 -14.750 5.084 1.00 20.00 C ATOM 513 O LEU A 25 -24.456 -15.859 5.500 1.00 20.00 O ATOM 514 CB LEU A 25 -24.608 -12.851 6.713 1.00 20.00 C ATOM 515 CG LEU A 25 -23.667 -11.958 7.541 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.470 -12.751 8.046 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.203 -10.751 6.741 1.00 20.00 C ATOM 0 H LEU A 25 -24.548 -11.728 4.472 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.974 -13.773 5.682 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.468 -12.253 6.410 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.983 -13.644 7.360 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.231 -11.597 8.401 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.820 -12.098 8.628 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -22.816 -13.572 8.674 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.915 -13.152 7.198 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.540 -10.141 7.354 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.668 -11.087 5.853 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.068 -10.159 6.442 1.00 20.00 H new ATOM 529 N ARG A 26 -25.837 -14.563 4.281 1.00 20.00 N ATOM 530 CA ARG A 26 -26.656 -15.677 3.820 1.00 20.00 C ATOM 531 C ARG A 26 -25.896 -16.489 2.777 1.00 20.00 C ATOM 532 O ARG A 26 -25.933 -17.720 2.779 1.00 20.00 O ATOM 533 CB ARG A 26 -27.975 -15.175 3.220 1.00 20.00 C ATOM 534 CG ARG A 26 -28.784 -14.246 4.122 1.00 20.00 C ATOM 535 CD ARG A 26 -29.260 -14.923 5.405 1.00 20.00 C ATOM 536 NE ARG A 26 -28.201 -15.035 6.411 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.040 -14.180 7.424 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.821 -13.113 7.537 1.00 20.00 N ATOM 539 NH2 ARG A 26 -27.089 -14.385 8.322 1.00 20.00 N ATOM 0 H ARG A 26 -26.134 -13.650 3.936 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.883 -16.309 4.678 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.757 -14.653 2.288 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.592 -16.037 2.965 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.176 -13.379 4.380 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.649 -13.876 3.571 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.093 -14.357 5.822 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.637 -15.918 5.168 1.00 20.00 H new ATOM 0 HE ARG A 26 -27.547 -15.814 6.333 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -29.552 -12.940 6.847 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.691 -12.465 8.314 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -26.477 -15.197 8.241 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -26.968 -13.731 9.095 1.00 20.00 H new ATOM 553 N ALA A 27 -25.192 -15.787 1.896 1.00 20.00 N ATOM 554 CA ALA A 27 -24.394 -16.426 0.859 1.00 20.00 C ATOM 555 C ALA A 27 -23.191 -17.141 1.462 1.00 20.00 C ATOM 556 O ALA A 27 -22.623 -18.048 0.856 1.00 20.00 O ATOM 557 CB ALA A 27 -23.942 -15.397 -0.161 1.00 20.00 C ATOM 0 H ALA A 27 -25.159 -14.768 1.881 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.014 -17.170 0.358 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.346 -15.886 -0.932 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.814 -14.930 -0.618 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.340 -14.634 0.334 1.00 20.00 H new ATOM 563 N LYS A 28 -22.807 -16.717 2.656 1.00 20.00 N ATOM 564 CA LYS A 28 -21.711 -17.342 3.382 1.00 20.00 C ATOM 565 C LYS A 28 -22.053 -18.786 3.737 1.00 20.00 C ATOM 566 O LYS A 28 -21.234 -19.692 3.561 1.00 20.00 O ATOM 567 CB LYS A 28 -21.394 -16.543 4.650 1.00 20.00 C ATOM 568 CG LYS A 28 -20.379 -17.206 5.564 1.00 20.00 C ATOM 569 CD LYS A 28 -20.083 -16.343 6.775 1.00 20.00 C ATOM 570 CE LYS A 28 -19.116 -17.025 7.732 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.669 -18.296 8.269 1.00 20.00 N ATOM 0 H LYS A 28 -23.242 -15.936 3.147 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.830 -17.347 2.740 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.021 -15.560 4.363 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -22.318 -16.383 5.206 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.757 -18.175 5.889 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.457 -17.392 5.013 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.662 -15.392 6.449 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -21.013 -16.118 7.297 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.177 -17.227 7.216 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.887 -16.351 8.558 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -19.110 -18.597 9.093 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -20.658 -18.150 8.556 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.626 -19.031 7.534 1.00 20.00 H new ATOM 585 N VAL A 29 -23.268 -19.000 4.225 1.00 20.00 N ATOM 586 CA VAL A 29 -23.715 -20.336 4.581 1.00 20.00 C ATOM 587 C VAL A 29 -24.283 -21.046 3.351 1.00 20.00 C ATOM 588 O VAL A 29 -24.436 -22.268 3.345 1.00 20.00 O ATOM 589 CB VAL A 29 -24.764 -20.299 5.719 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.101 -19.757 5.234 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.925 -21.675 6.347 1.00 20.00 C ATOM 0 H VAL A 29 -23.959 -18.266 4.382 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.853 -20.893 4.946 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.398 -19.615 6.485 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.811 -19.747 6.061 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.967 -18.743 4.857 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.483 -20.393 4.436 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.667 -21.627 7.144 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.254 -22.385 5.588 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.970 -22.001 6.759 1.00 20.00 H new ATOM 772 N HIS A 42 -27.289 -9.132 -9.071 1.00 20.00 N ATOM 773 CA HIS A 42 -26.481 -9.323 -10.272 1.00 20.00 C ATOM 774 C HIS A 42 -26.225 -10.809 -10.525 1.00 20.00 C ATOM 775 O HIS A 42 -25.721 -11.186 -11.582 1.00 20.00 O ATOM 776 CB HIS A 42 -25.156 -8.540 -10.209 1.00 20.00 C ATOM 777 CG HIS A 42 -24.166 -9.041 -9.199 1.00 20.00 C ATOM 778 ND1 HIS A 42 -23.121 -9.875 -9.530 1.00 20.00 N ATOM 779 CD2 HIS A 42 -24.047 -8.802 -7.871 1.00 20.00 C ATOM 780 CE1 HIS A 42 -22.405 -10.129 -8.452 1.00 20.00 C ATOM 781 NE2 HIS A 42 -22.944 -9.491 -7.434 1.00 20.00 N ATOM 0 HA HIS A 42 -27.051 -8.923 -11.111 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -24.690 -8.565 -11.194 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -25.379 -7.496 -9.989 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -24.698 -8.185 -7.269 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -21.525 -10.754 -8.411 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -22.597 -9.507 -6.475 1.00 20.00 H new ATOM 790 N ASP A 43 -26.587 -11.643 -9.553 1.00 20.00 N ATOM 791 CA ASP A 43 -26.478 -13.095 -9.692 1.00 20.00 C ATOM 792 C ASP A 43 -27.312 -13.591 -10.868 1.00 20.00 C ATOM 793 O ASP A 43 -26.805 -14.281 -11.751 1.00 20.00 O ATOM 794 CB ASP A 43 -26.923 -13.798 -8.401 1.00 20.00 C ATOM 795 CG ASP A 43 -26.909 -15.312 -8.521 1.00 20.00 C ATOM 796 OD1 ASP A 43 -27.926 -15.890 -8.961 1.00 20.00 O ATOM 797 OD2 ASP A 43 -25.887 -15.933 -8.161 1.00 20.00 O ATOM 0 H ASP A 43 -26.961 -11.337 -8.655 1.00 20.00 H new ATOM 0 HA ASP A 43 -25.432 -13.336 -9.881 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -26.267 -13.497 -7.584 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -27.929 -13.468 -8.141 1.00 20.00 H new ATOM 802 N GLU A 44 -28.587 -13.214 -10.892 1.00 20.00 N ATOM 803 CA GLU A 44 -29.485 -13.667 -11.946 1.00 20.00 C ATOM 804 C GLU A 44 -29.210 -12.924 -13.249 1.00 20.00 C ATOM 805 O GLU A 44 -29.577 -13.386 -14.323 1.00 20.00 O ATOM 806 CB GLU A 44 -30.953 -13.509 -11.530 1.00 20.00 C ATOM 807 CG GLU A 44 -31.362 -12.087 -11.186 1.00 20.00 C ATOM 808 CD GLU A 44 -32.850 -11.962 -10.936 1.00 20.00 C ATOM 809 OE1 GLU A 44 -33.293 -12.199 -9.792 1.00 20.00 O ATOM 810 OE2 GLU A 44 -33.589 -11.638 -11.889 1.00 20.00 O ATOM 0 H GLU A 44 -29.018 -12.601 -10.200 1.00 20.00 H new ATOM 0 HA GLU A 44 -29.296 -14.728 -12.111 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -31.587 -13.870 -12.339 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -31.143 -14.147 -10.667 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -30.818 -11.759 -10.300 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -31.075 -11.422 -12.000 1.00 20.00 H new ATOM 817 N VAL A 45 -28.540 -11.784 -13.146 1.00 20.00 N ATOM 818 CA VAL A 45 -28.141 -11.023 -14.323 1.00 20.00 C ATOM 819 C VAL A 45 -27.168 -11.837 -15.170 1.00 20.00 C ATOM 820 O VAL A 45 -27.278 -11.881 -16.396 1.00 20.00 O ATOM 821 CB VAL A 45 -27.497 -9.678 -13.929 1.00 20.00 C ATOM 822 CG1 VAL A 45 -26.851 -9.002 -15.128 1.00 20.00 C ATOM 823 CG2 VAL A 45 -28.535 -8.764 -13.299 1.00 20.00 C ATOM 0 H VAL A 45 -28.261 -11.365 -12.259 1.00 20.00 H new ATOM 0 HA VAL A 45 -29.038 -10.812 -14.906 1.00 20.00 H new ATOM 0 HB VAL A 45 -26.713 -9.880 -13.199 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -26.406 -8.057 -14.817 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -26.076 -9.650 -15.537 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -27.607 -8.814 -15.891 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -28.068 -7.818 -13.025 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -29.338 -8.579 -14.012 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -28.944 -9.238 -12.407 1.00 20.00 H new ATOM 833 N GLU A 46 -26.237 -12.499 -14.495 1.00 20.00 N ATOM 834 CA GLU A 46 -25.273 -13.375 -15.156 1.00 20.00 C ATOM 835 C GLU A 46 -25.995 -14.492 -15.910 1.00 20.00 C ATOM 836 O GLU A 46 -25.561 -14.927 -16.975 1.00 20.00 O ATOM 837 CB GLU A 46 -24.308 -13.967 -14.119 1.00 20.00 C ATOM 838 CG GLU A 46 -23.216 -14.846 -14.711 1.00 20.00 C ATOM 839 CD GLU A 46 -22.290 -14.089 -15.641 1.00 20.00 C ATOM 840 OE1 GLU A 46 -21.519 -13.233 -15.155 1.00 20.00 O ATOM 841 OE2 GLU A 46 -22.320 -14.349 -16.862 1.00 20.00 O ATOM 0 H GLU A 46 -26.127 -12.446 -13.482 1.00 20.00 H new ATOM 0 HA GLU A 46 -24.702 -12.789 -15.876 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -23.842 -13.151 -13.566 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -24.880 -14.553 -13.400 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -22.631 -15.285 -13.902 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -23.676 -15.671 -15.256 1.00 20.00 H new ATOM 848 N ARG A 47 -27.120 -14.927 -15.360 1.00 20.00 N ATOM 849 CA ARG A 47 -27.903 -15.998 -15.958 1.00 20.00 C ATOM 850 C ARG A 47 -28.817 -15.458 -17.057 1.00 20.00 C ATOM 851 O ARG A 47 -29.099 -16.148 -18.036 1.00 20.00 O ATOM 852 CB ARG A 47 -28.734 -16.706 -14.884 1.00 20.00 C ATOM 853 CG ARG A 47 -29.577 -17.870 -15.397 1.00 20.00 C ATOM 854 CD ARG A 47 -28.725 -19.058 -15.834 1.00 20.00 C ATOM 855 NE ARG A 47 -27.955 -18.789 -17.049 1.00 20.00 N ATOM 856 CZ ARG A 47 -26.915 -19.521 -17.445 1.00 20.00 C ATOM 857 NH1 ARG A 47 -26.520 -20.561 -16.720 1.00 20.00 N ATOM 858 NH2 ARG A 47 -26.269 -19.216 -18.564 1.00 20.00 N ATOM 0 H ARG A 47 -27.512 -14.552 -14.496 1.00 20.00 H new ATOM 0 HA ARG A 47 -27.215 -16.714 -16.407 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -28.063 -17.075 -14.109 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -29.394 -15.976 -14.414 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -30.266 -18.189 -14.614 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -30.184 -17.533 -16.238 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -28.041 -19.325 -15.028 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -29.371 -19.920 -16.002 1.00 20.00 H new ATOM 0 HE ARG A 47 -28.231 -17.995 -17.626 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -27.013 -20.800 -15.860 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -25.724 -21.121 -17.024 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -26.569 -18.418 -19.125 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -25.473 -19.779 -18.863 1.00 20.00 H new ATOM 872 N ARG A 48 -29.275 -14.227 -16.893 1.00 20.00 N ATOM 873 CA ARG A 48 -30.167 -13.604 -17.865 1.00 20.00 C ATOM 874 C ARG A 48 -29.403 -13.109 -19.087 1.00 20.00 C ATOM 875 O ARG A 48 -30.001 -12.819 -20.117 1.00 20.00 O ATOM 876 CB ARG A 48 -30.966 -12.456 -17.247 1.00 20.00 C ATOM 877 CG ARG A 48 -32.021 -12.910 -16.249 1.00 20.00 C ATOM 878 CD ARG A 48 -33.047 -11.818 -15.995 1.00 20.00 C ATOM 879 NE ARG A 48 -33.796 -11.489 -17.209 1.00 20.00 N ATOM 880 CZ ARG A 48 -34.635 -10.461 -17.317 1.00 20.00 C ATOM 881 NH1 ARG A 48 -34.841 -9.657 -16.282 1.00 20.00 N ATOM 882 NH2 ARG A 48 -35.266 -10.238 -18.462 1.00 20.00 N ATOM 0 H ARG A 48 -29.044 -13.636 -16.094 1.00 20.00 H new ATOM 0 HA ARG A 48 -30.869 -14.375 -18.184 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -30.278 -11.774 -16.749 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -31.452 -11.893 -18.044 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -32.522 -13.802 -16.626 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -31.541 -13.187 -15.310 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -33.738 -12.141 -15.217 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -32.544 -10.925 -15.624 1.00 20.00 H new ATOM 0 HE ARG A 48 -33.667 -12.086 -18.026 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -34.356 -9.826 -15.401 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -35.484 -8.870 -16.368 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -35.108 -10.854 -19.260 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -35.909 -9.450 -18.545 1.00 20.00 H new ATOM 896 N MET A 49 -28.087 -12.984 -18.958 1.00 20.00 N ATOM 897 CA MET A 49 -27.240 -12.568 -20.077 1.00 20.00 C ATOM 898 C MET A 49 -27.552 -13.367 -21.341 1.00 20.00 C ATOM 899 O MET A 49 -27.506 -12.831 -22.446 1.00 20.00 O ATOM 900 CB MET A 49 -25.761 -12.712 -19.727 1.00 20.00 C ATOM 901 CG MET A 49 -25.225 -11.580 -18.871 1.00 20.00 C ATOM 902 SD MET A 49 -25.422 -9.967 -19.657 1.00 20.00 S ATOM 903 CE MET A 49 -24.698 -8.899 -18.415 1.00 20.00 C ATOM 0 H MET A 49 -27.581 -13.164 -18.091 1.00 20.00 H new ATOM 0 HA MET A 49 -27.457 -11.517 -20.271 1.00 20.00 H new ATOM 0 HB2 MET A 49 -25.611 -13.655 -19.202 1.00 20.00 H new ATOM 0 HB3 MET A 49 -25.182 -12.765 -20.649 1.00 20.00 H new ATOM 0 HG2 MET A 49 -25.742 -11.578 -17.911 1.00 20.00 H new ATOM 0 HG3 MET A 49 -24.169 -11.753 -18.664 1.00 20.00 H new ATOM 0 HE1 MET A 49 -24.467 -7.930 -18.858 1.00 20.00 H new ATOM 0 HE2 MET A 49 -25.404 -8.764 -17.595 1.00 20.00 H new ATOM 0 HE3 MET A 49 -23.782 -9.352 -18.035 1.00 20.00 H new ATOM 913 N ALA A 50 -27.886 -14.642 -21.163 1.00 20.00 N ATOM 914 CA ALA A 50 -28.243 -15.520 -22.272 1.00 20.00 C ATOM 915 C ALA A 50 -29.343 -14.918 -23.148 1.00 20.00 C ATOM 916 O ALA A 50 -29.198 -14.837 -24.369 1.00 20.00 O ATOM 917 CB ALA A 50 -28.683 -16.871 -21.736 1.00 20.00 C ATOM 0 H ALA A 50 -27.917 -15.094 -20.249 1.00 20.00 H new ATOM 0 HA ALA A 50 -27.359 -15.642 -22.897 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -28.949 -17.523 -22.568 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -27.868 -17.320 -21.168 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -29.549 -16.740 -21.087 1.00 20.00 H new ATOM 923 N GLU A 51 -30.434 -14.481 -22.521 1.00 20.00 N ATOM 924 CA GLU A 51 -31.559 -13.915 -23.259 1.00 20.00 C ATOM 925 C GLU A 51 -31.165 -12.583 -23.888 1.00 20.00 C ATOM 926 O GLU A 51 -31.655 -12.215 -24.954 1.00 20.00 O ATOM 927 CB GLU A 51 -32.784 -13.734 -22.349 1.00 20.00 C ATOM 928 CG GLU A 51 -32.655 -12.596 -21.347 1.00 20.00 C ATOM 929 CD GLU A 51 -33.824 -12.513 -20.392 1.00 20.00 C ATOM 930 OE1 GLU A 51 -33.779 -13.167 -19.331 1.00 20.00 O ATOM 931 OE2 GLU A 51 -34.796 -11.788 -20.687 1.00 20.00 O ATOM 0 H GLU A 51 -30.562 -14.508 -21.509 1.00 20.00 H new ATOM 0 HA GLU A 51 -31.827 -14.613 -24.052 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -33.662 -13.558 -22.971 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -32.960 -14.663 -21.806 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -31.735 -12.725 -20.776 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -32.566 -11.653 -21.886 1.00 20.00 H new ATOM 938 N ARG A 52 -30.253 -11.876 -23.232 1.00 20.00 N ATOM 939 CA ARG A 52 -29.778 -10.596 -23.734 1.00 20.00 C ATOM 940 C ARG A 52 -28.915 -10.798 -24.972 1.00 20.00 C ATOM 941 O ARG A 52 -28.911 -9.965 -25.876 1.00 20.00 O ATOM 942 CB ARG A 52 -28.994 -9.838 -22.657 1.00 20.00 C ATOM 943 CG ARG A 52 -29.841 -9.393 -21.470 1.00 20.00 C ATOM 944 CD ARG A 52 -29.023 -8.591 -20.468 1.00 20.00 C ATOM 945 NE ARG A 52 -28.491 -7.357 -21.050 1.00 20.00 N ATOM 946 CZ ARG A 52 -27.871 -6.406 -20.349 1.00 20.00 C ATOM 947 NH1 ARG A 52 -27.748 -6.513 -19.030 1.00 20.00 N ATOM 948 NH2 ARG A 52 -27.394 -5.334 -20.966 1.00 20.00 N ATOM 0 H ARG A 52 -29.829 -12.169 -22.352 1.00 20.00 H new ATOM 0 HA ARG A 52 -30.647 -9.997 -24.005 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -28.186 -10.474 -22.295 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -28.531 -8.961 -23.109 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -30.677 -8.790 -21.824 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -30.266 -10.267 -20.977 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -29.645 -8.346 -19.607 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -28.199 -9.203 -20.102 1.00 20.00 H new ATOM 0 HE ARG A 52 -28.601 -7.216 -22.054 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -28.129 -7.326 -18.547 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -27.273 -5.782 -18.501 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -27.501 -5.237 -21.976 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -26.920 -4.606 -20.431 1.00 20.00 H new ATOM 962 N PHE A 53 -28.191 -11.911 -25.016 1.00 20.00 N ATOM 963 CA PHE A 53 -27.402 -12.257 -26.188 1.00 20.00 C ATOM 964 C PHE A 53 -28.315 -12.697 -27.327 1.00 20.00 C ATOM 965 O PHE A 53 -28.017 -12.471 -28.500 1.00 20.00 O ATOM 966 CB PHE A 53 -26.388 -13.356 -25.865 1.00 20.00 C ATOM 967 CG PHE A 53 -25.329 -12.938 -24.881 1.00 20.00 C ATOM 968 CD1 PHE A 53 -24.725 -11.692 -24.975 1.00 20.00 C ATOM 969 CD2 PHE A 53 -24.941 -13.787 -23.858 1.00 20.00 C ATOM 970 CE1 PHE A 53 -23.757 -11.305 -24.069 1.00 20.00 C ATOM 971 CE2 PHE A 53 -23.974 -13.405 -22.949 1.00 20.00 C ATOM 972 CZ PHE A 53 -23.381 -12.163 -23.054 1.00 20.00 C ATOM 0 H PHE A 53 -28.135 -12.587 -24.254 1.00 20.00 H new ATOM 0 HA PHE A 53 -26.850 -11.370 -26.499 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -26.919 -14.221 -25.467 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -25.906 -13.675 -26.789 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -25.015 -11.017 -25.766 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -25.401 -14.760 -23.770 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -23.295 -10.333 -24.154 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -23.682 -14.078 -22.156 1.00 20.00 H new ATOM 0 HZ PHE A 53 -22.625 -11.863 -22.344 1.00 20.00 H new ATOM 982 N ALA A 54 -29.435 -13.314 -26.973 1.00 20.00 N ATOM 983 CA ALA A 54 -30.444 -13.680 -27.955 1.00 20.00 C ATOM 984 C ALA A 54 -31.046 -12.428 -28.584 1.00 20.00 C ATOM 985 O ALA A 54 -31.304 -12.382 -29.787 1.00 20.00 O ATOM 986 CB ALA A 54 -31.529 -14.531 -27.314 1.00 20.00 C ATOM 0 H ALA A 54 -29.666 -13.571 -26.013 1.00 20.00 H new ATOM 0 HA ALA A 54 -29.968 -14.268 -28.740 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -32.275 -14.795 -28.064 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -31.086 -15.440 -26.907 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -32.005 -13.969 -26.511 1.00 20.00 H new ATOM 992 N LYS A 55 -31.256 -11.407 -27.761 1.00 20.00 N ATOM 993 CA LYS A 55 -31.762 -10.130 -28.243 1.00 20.00 C ATOM 994 C LYS A 55 -30.652 -9.341 -28.924 1.00 20.00 C ATOM 995 O LYS A 55 -30.913 -8.433 -29.712 1.00 20.00 O ATOM 996 CB LYS A 55 -32.359 -9.314 -27.096 1.00 20.00 C ATOM 997 CG LYS A 55 -33.481 -10.031 -26.361 1.00 20.00 C ATOM 998 CD LYS A 55 -34.193 -9.111 -25.385 1.00 20.00 C ATOM 999 CE LYS A 55 -34.922 -7.985 -26.104 1.00 20.00 C ATOM 1000 NZ LYS A 55 -35.750 -7.177 -25.171 1.00 20.00 N ATOM 0 H LYS A 55 -31.083 -11.440 -26.756 1.00 20.00 H new ATOM 0 HA LYS A 55 -32.549 -10.330 -28.970 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -31.569 -9.068 -26.386 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -32.738 -8.371 -27.490 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -34.199 -10.420 -27.083 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -33.074 -10.887 -25.823 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -34.905 -9.687 -24.795 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -33.469 -8.689 -24.688 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -34.196 -7.339 -26.597 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -35.558 -8.404 -26.884 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -36.230 -6.421 -25.699 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -36.460 -7.788 -24.719 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -35.140 -6.756 -24.441 1.00 20.00 H new ATOM 1014 N MET A 56 -29.412 -9.702 -28.623 1.00 20.00 N ATOM 1015 CA MET A 56 -28.252 -9.071 -29.243 1.00 20.00 C ATOM 1016 C MET A 56 -28.148 -9.492 -30.702 1.00 20.00 C ATOM 1017 O MET A 56 -27.523 -8.816 -31.515 1.00 20.00 O ATOM 1018 CB MET A 56 -26.971 -9.441 -28.485 1.00 20.00 C ATOM 1019 CG MET A 56 -25.710 -8.794 -29.042 1.00 20.00 C ATOM 1020 SD MET A 56 -24.222 -9.308 -28.163 1.00 20.00 S ATOM 1021 CE MET A 56 -22.972 -8.400 -29.072 1.00 20.00 C ATOM 0 H MET A 56 -29.182 -10.433 -27.950 1.00 20.00 H new ATOM 0 HA MET A 56 -28.375 -7.989 -29.198 1.00 20.00 H new ATOM 0 HB2 MET A 56 -27.084 -9.152 -27.440 1.00 20.00 H new ATOM 0 HB3 MET A 56 -26.850 -10.524 -28.505 1.00 20.00 H new ATOM 0 HG2 MET A 56 -25.611 -9.049 -30.097 1.00 20.00 H new ATOM 0 HG3 MET A 56 -25.806 -7.710 -28.984 1.00 20.00 H new ATOM 0 HE1 MET A 56 -21.990 -8.611 -28.649 1.00 20.00 H new ATOM 0 HE2 MET A 56 -22.990 -8.705 -30.118 1.00 20.00 H new ATOM 0 HE3 MET A 56 -23.175 -7.331 -29.002 1.00 20.00 H new ATOM 1031 N ARG A 57 -28.773 -10.617 -31.028 1.00 20.00 N ATOM 1032 CA ARG A 57 -28.847 -11.078 -32.408 1.00 20.00 C ATOM 1033 C ARG A 57 -29.788 -10.181 -33.205 1.00 20.00 C ATOM 1034 O ARG A 57 -29.750 -10.153 -34.437 1.00 20.00 O ATOM 1035 CB ARG A 57 -29.302 -12.538 -32.461 1.00 20.00 C ATOM 1036 CG ARG A 57 -28.333 -13.483 -31.770 1.00 20.00 C ATOM 1037 CD ARG A 57 -28.769 -14.936 -31.874 1.00 20.00 C ATOM 1038 NE ARG A 57 -27.829 -15.821 -31.189 1.00 20.00 N ATOM 1039 CZ ARG A 57 -27.811 -17.146 -31.317 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -28.699 -17.764 -32.086 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -26.900 -17.857 -30.663 1.00 20.00 N ATOM 0 H ARG A 57 -29.236 -11.227 -30.354 1.00 20.00 H new ATOM 0 HA ARG A 57 -27.855 -11.021 -32.856 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -30.283 -12.625 -31.994 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -29.417 -12.840 -33.502 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -27.343 -13.371 -32.212 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -28.247 -13.206 -30.719 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -29.763 -15.052 -31.441 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -28.843 -15.222 -32.923 1.00 20.00 H new ATOM 0 HE ARG A 57 -27.139 -15.394 -30.570 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -29.404 -17.223 -32.586 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -28.676 -18.780 -32.177 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.219 -17.388 -30.066 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -26.881 -18.872 -30.757 1.00 20.00 H new