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=-0.78) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 70:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.326 K(o=-0.33,f=-0.96) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.057) USER MOD Single : A 42 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 49 MET CE :methyl 163:sc= -0.079 (180deg=-0.545) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= -0.0059 (180deg=-0.0964) USER MOD Single : A 56 MET CE :methyl 162:sc= -0.204 (180deg=-0.794) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.746 0.462 2.931 1.00 20.00 N ATOM 365 CA GLU A 16 -30.959 -0.538 1.889 1.00 20.00 C ATOM 366 C GLU A 16 -29.681 -1.304 1.552 1.00 20.00 C ATOM 367 O GLU A 16 -29.697 -2.531 1.469 1.00 20.00 O ATOM 368 CB GLU A 16 -31.509 0.140 0.635 1.00 20.00 C ATOM 369 CG GLU A 16 -31.660 -0.784 -0.561 1.00 20.00 C ATOM 370 CD GLU A 16 -32.116 -0.042 -1.794 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.250 0.449 -2.555 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.342 0.070 -2.004 1.00 20.00 O ATOM 0 HA GLU A 16 -31.679 -1.263 2.268 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.481 0.575 0.868 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.849 0.963 0.362 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.707 -1.273 -0.764 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.378 -1.569 -0.324 1.00 20.00 H new ATOM 379 N GLN A 17 -28.580 -0.586 1.347 1.00 20.00 N ATOM 380 CA GLN A 17 -27.319 -1.236 1.000 1.00 20.00 C ATOM 381 C GLN A 17 -26.776 -2.033 2.183 1.00 20.00 C ATOM 382 O GLN A 17 -26.100 -3.042 2.005 1.00 20.00 O ATOM 383 CB GLN A 17 -26.278 -0.223 0.496 1.00 20.00 C ATOM 384 CG GLN A 17 -25.876 0.840 1.509 1.00 20.00 C ATOM 385 CD GLN A 17 -24.802 1.773 0.974 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.971 1.375 0.155 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.814 3.022 1.418 1.00 20.00 N ATOM 0 H GLN A 17 -28.534 0.431 1.414 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.521 -1.929 0.184 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.385 -0.765 0.186 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.674 0.272 -0.391 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.754 1.423 1.788 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.514 0.356 2.416 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.517 3.316 2.096 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.120 3.690 1.082 1.00 20.00 H new ATOM 396 N GLU A 18 -27.113 -1.597 3.390 1.00 20.00 N ATOM 397 CA GLU A 18 -26.696 -2.295 4.600 1.00 20.00 C ATOM 398 C GLU A 18 -27.459 -3.613 4.704 1.00 20.00 C ATOM 399 O GLU A 18 -26.885 -4.662 4.999 1.00 20.00 O ATOM 400 CB GLU A 18 -26.949 -1.404 5.830 1.00 20.00 C ATOM 401 CG GLU A 18 -26.233 -1.830 7.110 1.00 20.00 C ATOM 402 CD GLU A 18 -26.784 -3.099 7.726 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.978 -3.116 8.102 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.020 -4.077 7.859 1.00 20.00 O ATOM 0 H GLU A 18 -27.675 -0.762 3.558 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.629 -2.513 4.558 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.646 -0.385 5.587 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.021 -1.380 6.025 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.174 -1.973 6.893 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.303 -1.023 7.840 1.00 20.00 H new ATOM 411 N ASN A 19 -28.755 -3.554 4.417 1.00 20.00 N ATOM 412 CA ASN A 19 -29.600 -4.745 4.432 1.00 20.00 C ATOM 413 C ASN A 19 -29.148 -5.721 3.350 1.00 20.00 C ATOM 414 O ASN A 19 -29.353 -6.931 3.458 1.00 20.00 O ATOM 415 CB ASN A 19 -31.072 -4.364 4.219 1.00 20.00 C ATOM 416 CG ASN A 19 -32.019 -5.534 4.436 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.341 -6.273 3.506 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.479 -5.702 5.668 1.00 20.00 N ATOM 0 H ASN A 19 -29.245 -2.694 4.171 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.505 -5.226 5.406 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.336 -3.557 4.902 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.201 -3.981 3.207 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.124 -6.466 5.872 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.188 -5.068 6.412 1.00 20.00 H new ATOM 425 N SER A 20 -28.504 -5.185 2.320 1.00 20.00 N ATOM 426 CA SER A 20 -27.990 -6.002 1.232 1.00 20.00 C ATOM 427 C SER A 20 -26.785 -6.817 1.701 1.00 20.00 C ATOM 428 O SER A 20 -26.523 -7.906 1.191 1.00 20.00 O ATOM 429 CB SER A 20 -27.615 -5.118 0.038 1.00 20.00 C ATOM 430 OG SER A 20 -28.715 -4.309 -0.361 1.00 20.00 O ATOM 0 H SER A 20 -28.326 -4.186 2.217 1.00 20.00 H new ATOM 0 HA SER A 20 -28.769 -6.696 0.916 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.769 -4.484 0.302 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.297 -5.743 -0.796 1.00 20.00 H new ATOM 0 HG SER A 20 -28.881 -3.624 0.320 1.00 20.00 H new ATOM 436 N TYR A 21 -26.071 -6.302 2.698 1.00 20.00 N ATOM 437 CA TYR A 21 -24.920 -7.006 3.249 1.00 20.00 C ATOM 438 C TYR A 21 -25.369 -8.126 4.175 1.00 20.00 C ATOM 439 O TYR A 21 -24.633 -9.086 4.403 1.00 20.00 O ATOM 440 CB TYR A 21 -23.983 -6.042 3.978 1.00 20.00 C ATOM 441 CG TYR A 21 -23.330 -5.039 3.052 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.685 -5.457 1.894 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.362 -3.679 3.329 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.094 -4.549 1.039 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.772 -2.765 2.477 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.141 -3.205 1.335 1.00 20.00 C ATOM 447 OH TYR A 21 -21.553 -2.296 0.482 1.00 20.00 O ATOM 0 H TYR A 21 -26.269 -5.404 3.138 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.367 -7.448 2.420 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.545 -5.508 4.745 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.209 -6.614 4.490 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.646 -6.510 1.659 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.856 -3.330 4.224 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -21.597 -4.891 0.143 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.806 -1.710 2.706 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.676 -1.390 0.834 1.00 20.00 H new ATOM 457 N ASN A 22 -26.579 -8.003 4.708 1.00 20.00 N ATOM 458 CA ASN A 22 -27.195 -9.099 5.452 1.00 20.00 C ATOM 459 C ASN A 22 -27.388 -10.290 4.528 1.00 20.00 C ATOM 460 O ASN A 22 -27.210 -11.445 4.919 1.00 20.00 O ATOM 461 CB ASN A 22 -28.550 -8.680 6.034 1.00 20.00 C ATOM 462 CG ASN A 22 -28.421 -7.746 7.221 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.475 -7.838 8.001 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.373 -6.837 7.366 1.00 20.00 N ATOM 0 H ASN A 22 -27.151 -7.161 4.641 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.536 -9.367 6.277 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.138 -8.192 5.257 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.100 -9.571 6.338 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.337 -6.181 8.146 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.142 -6.793 6.697 1.00 20.00 H new ATOM 471 N GLU A 23 -27.722 -9.984 3.282 1.00 20.00 N ATOM 472 CA GLU A 23 -27.953 -10.999 2.271 1.00 20.00 C ATOM 473 C GLU A 23 -26.654 -11.717 1.932 1.00 20.00 C ATOM 474 O GLU A 23 -26.631 -12.940 1.786 1.00 20.00 O ATOM 475 CB GLU A 23 -28.558 -10.351 1.024 1.00 20.00 C ATOM 476 CG GLU A 23 -28.982 -11.335 -0.049 1.00 20.00 C ATOM 477 CD GLU A 23 -29.627 -10.638 -1.223 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.858 -10.439 -1.201 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.903 -10.262 -2.166 1.00 20.00 O ATOM 0 H GLU A 23 -27.839 -9.028 2.947 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.654 -11.739 2.658 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.424 -9.760 1.320 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.830 -9.660 0.599 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.113 -11.896 -0.392 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.681 -12.056 0.375 1.00 20.00 H new ATOM 486 N TRP A 24 -25.570 -10.955 1.824 1.00 20.00 N ATOM 487 CA TRP A 24 -24.257 -11.533 1.568 1.00 20.00 C ATOM 488 C TRP A 24 -23.774 -12.329 2.775 1.00 20.00 C ATOM 489 O TRP A 24 -23.058 -13.317 2.628 1.00 20.00 O ATOM 490 CB TRP A 24 -23.239 -10.449 1.205 1.00 20.00 C ATOM 491 CG TRP A 24 -23.500 -9.823 -0.129 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.915 -8.546 -0.371 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.365 -10.451 -1.411 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.048 -8.342 -1.721 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.715 -9.496 -2.381 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.981 -11.728 -1.830 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.693 -9.776 -3.746 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.960 -12.006 -3.184 1.00 20.00 C ATOM 499 CH2 TRP A 24 -23.313 -11.034 -4.127 1.00 20.00 C ATOM 0 H TRP A 24 -25.575 -9.939 1.910 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.351 -12.210 0.719 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.252 -9.675 1.972 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.239 -10.883 1.207 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.110 -7.804 0.389 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -24.346 -7.472 -2.162 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.706 -12.484 -1.109 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -23.966 -9.028 -4.476 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.666 -12.990 -3.520 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -23.285 -11.282 -5.178 1.00 20.00 H new ATOM 510 N LEU A 25 -24.184 -11.904 3.964 1.00 20.00 N ATOM 511 CA LEU A 25 -23.838 -12.611 5.190 1.00 20.00 C ATOM 512 C LEU A 25 -24.490 -13.988 5.206 1.00 20.00 C ATOM 513 O LEU A 25 -23.855 -14.980 5.559 1.00 20.00 O ATOM 514 CB LEU A 25 -24.268 -11.795 6.414 1.00 20.00 C ATOM 515 CG LEU A 25 -23.999 -12.444 7.777 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.524 -12.782 7.938 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.454 -11.522 8.896 1.00 20.00 C ATOM 0 H LEU A 25 -24.757 -11.072 4.105 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.756 -12.741 5.227 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.757 -10.833 6.384 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.336 -11.591 6.334 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.567 -13.373 7.831 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.360 -13.241 8.913 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -22.222 -13.477 7.154 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.931 -11.870 7.862 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -24.258 -11.994 9.859 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.909 -10.580 8.836 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.522 -11.330 8.797 1.00 20.00 H new ATOM 529 N ARG A 26 -25.755 -14.048 4.807 1.00 20.00 N ATOM 530 CA ARG A 26 -26.461 -15.319 4.725 1.00 20.00 C ATOM 531 C ARG A 26 -25.920 -16.156 3.570 1.00 20.00 C ATOM 532 O ARG A 26 -25.985 -17.384 3.594 1.00 20.00 O ATOM 533 CB ARG A 26 -27.968 -15.093 4.564 1.00 20.00 C ATOM 534 CG ARG A 26 -28.608 -14.396 5.758 1.00 20.00 C ATOM 535 CD ARG A 26 -30.121 -14.310 5.627 1.00 20.00 C ATOM 536 NE ARG A 26 -30.721 -13.632 6.774 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.985 -13.791 7.165 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.801 -14.593 6.489 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.433 -13.141 8.231 1.00 20.00 N ATOM 0 H ARG A 26 -26.310 -13.236 4.537 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.295 -15.863 5.655 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.145 -14.498 3.668 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.457 -16.055 4.409 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.354 -14.935 6.671 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.195 -13.392 5.855 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.378 -13.776 4.712 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.537 -15.314 5.538 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.133 -12.995 7.311 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.461 -15.091 5.666 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.768 -14.711 6.793 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.810 -12.521 8.749 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.400 -13.261 8.532 1.00 20.00 H new ATOM 553 N ALA A 27 -25.365 -15.482 2.570 1.00 20.00 N ATOM 554 CA ALA A 27 -24.769 -16.154 1.424 1.00 20.00 C ATOM 555 C ALA A 27 -23.415 -16.754 1.783 1.00 20.00 C ATOM 556 O ALA A 27 -22.899 -17.615 1.071 1.00 20.00 O ATOM 557 CB ALA A 27 -24.621 -15.189 0.262 1.00 20.00 C ATOM 0 H ALA A 27 -25.316 -14.464 2.531 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.434 -16.965 1.128 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.174 -15.707 -0.586 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.602 -14.808 -0.021 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.981 -14.358 0.558 1.00 20.00 H new ATOM 563 N LYS A 28 -22.847 -16.303 2.899 1.00 20.00 N ATOM 564 CA LYS A 28 -21.547 -16.794 3.355 1.00 20.00 C ATOM 565 C LYS A 28 -21.637 -18.243 3.826 1.00 20.00 C ATOM 566 O LYS A 28 -20.620 -18.890 4.067 1.00 20.00 O ATOM 567 CB LYS A 28 -20.986 -15.916 4.479 1.00 20.00 C ATOM 568 CG LYS A 28 -20.494 -14.549 4.018 1.00 20.00 C ATOM 569 CD LYS A 28 -19.985 -13.724 5.190 1.00 20.00 C ATOM 570 CE LYS A 28 -19.447 -12.368 4.746 1.00 20.00 C ATOM 571 NZ LYS A 28 -18.200 -12.492 3.944 1.00 20.00 N ATOM 0 H LYS A 28 -23.266 -15.598 3.505 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.868 -16.746 2.503 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.759 -15.776 5.235 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.162 -16.443 4.960 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.697 -14.675 3.285 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.304 -14.017 3.520 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -20.793 -13.576 5.907 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.198 -14.275 5.706 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -20.206 -11.853 4.157 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.253 -11.751 5.624 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.807 -11.546 3.765 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.506 -13.062 4.468 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.415 -12.954 3.038 1.00 20.00 H new ATOM 585 N VAL A 29 -22.857 -18.744 3.960 1.00 20.00 N ATOM 586 CA VAL A 29 -23.077 -20.135 4.328 1.00 20.00 C ATOM 587 C VAL A 29 -22.688 -21.059 3.176 1.00 20.00 C ATOM 588 O VAL A 29 -22.190 -22.166 3.387 1.00 20.00 O ATOM 589 CB VAL A 29 -24.550 -20.381 4.719 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.802 -21.853 5.005 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.931 -19.529 5.921 1.00 20.00 C ATOM 0 H VAL A 29 -23.712 -18.206 3.819 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.449 -20.354 5.192 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.176 -20.091 3.875 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.847 -21.997 5.278 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.575 -22.441 4.115 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.164 -22.178 5.827 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.973 -19.715 6.183 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -24.293 -19.786 6.766 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.801 -18.475 5.676 1.00 20.00 H new ATOM 772 N HIS A 42 -10.525 -6.355 -3.025 1.00 20.00 N ATOM 773 CA HIS A 42 -10.064 -4.979 -3.119 1.00 20.00 C ATOM 774 C HIS A 42 -11.166 -4.023 -2.699 1.00 20.00 C ATOM 775 O HIS A 42 -10.892 -2.920 -2.236 1.00 20.00 O ATOM 776 CB HIS A 42 -9.591 -4.651 -4.539 1.00 20.00 C ATOM 777 CG HIS A 42 -8.300 -5.313 -4.922 1.00 20.00 C ATOM 778 ND1 HIS A 42 -7.816 -5.322 -6.211 1.00 20.00 N ATOM 779 CD2 HIS A 42 -7.389 -5.986 -4.178 1.00 20.00 C ATOM 780 CE1 HIS A 42 -6.670 -5.974 -6.246 1.00 20.00 C ATOM 781 NE2 HIS A 42 -6.387 -6.387 -5.025 1.00 20.00 N ATOM 0 HA HIS A 42 -9.217 -4.861 -2.443 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -10.364 -4.950 -5.246 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -9.475 -3.571 -4.632 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -7.442 -6.172 -3.115 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -6.066 -6.142 -7.125 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -5.559 -6.918 -4.755 1.00 20.00 H new ATOM 790 N ASP A 43 -12.413 -4.468 -2.829 1.00 20.00 N ATOM 791 CA ASP A 43 -13.567 -3.649 -2.462 1.00 20.00 C ATOM 792 C ASP A 43 -13.544 -3.331 -0.972 1.00 20.00 C ATOM 793 O ASP A 43 -14.032 -2.284 -0.541 1.00 20.00 O ATOM 794 CB ASP A 43 -14.882 -4.349 -2.827 1.00 20.00 C ATOM 795 CG ASP A 43 -15.095 -5.644 -2.068 1.00 20.00 C ATOM 796 OD1 ASP A 43 -14.585 -6.689 -2.519 1.00 20.00 O ATOM 797 OD2 ASP A 43 -15.770 -5.621 -1.017 1.00 20.00 O ATOM 0 H ASP A 43 -12.651 -5.393 -3.186 1.00 20.00 H new ATOM 0 HA ASP A 43 -13.506 -2.718 -3.025 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -15.714 -3.675 -2.625 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -14.892 -4.556 -3.897 1.00 20.00 H new ATOM 802 N GLU A 44 -12.964 -4.238 -0.197 1.00 20.00 N ATOM 803 CA GLU A 44 -12.797 -4.045 1.234 1.00 20.00 C ATOM 804 C GLU A 44 -11.790 -2.932 1.489 1.00 20.00 C ATOM 805 O GLU A 44 -11.995 -2.063 2.340 1.00 20.00 O ATOM 806 CB GLU A 44 -12.325 -5.351 1.883 1.00 20.00 C ATOM 807 CG GLU A 44 -12.085 -5.247 3.379 1.00 20.00 C ATOM 808 CD GLU A 44 -11.659 -6.565 3.989 1.00 20.00 C ATOM 809 OE1 GLU A 44 -12.469 -7.519 3.981 1.00 20.00 O ATOM 810 OE2 GLU A 44 -10.517 -6.655 4.487 1.00 20.00 O ATOM 0 H GLU A 44 -12.598 -5.125 -0.543 1.00 20.00 H new ATOM 0 HA GLU A 44 -13.753 -3.761 1.674 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -13.069 -6.126 1.698 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -11.403 -5.672 1.399 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -11.318 -4.497 3.570 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -12.996 -4.902 3.867 1.00 20.00 H new ATOM 817 N VAL A 45 -10.719 -2.953 0.713 1.00 20.00 N ATOM 818 CA VAL A 45 -9.654 -1.974 0.838 1.00 20.00 C ATOM 819 C VAL A 45 -10.140 -0.596 0.409 1.00 20.00 C ATOM 820 O VAL A 45 -9.760 0.412 0.996 1.00 20.00 O ATOM 821 CB VAL A 45 -8.426 -2.374 -0.007 1.00 20.00 C ATOM 822 CG1 VAL A 45 -7.298 -1.366 0.157 1.00 20.00 C ATOM 823 CG2 VAL A 45 -7.956 -3.772 0.367 1.00 20.00 C ATOM 0 H VAL A 45 -10.564 -3.647 -0.019 1.00 20.00 H new ATOM 0 HA VAL A 45 -9.360 -1.941 1.887 1.00 20.00 H new ATOM 0 HB VAL A 45 -8.722 -2.377 -1.056 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -6.445 -1.672 -0.449 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -7.639 -0.383 -0.167 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -7.001 -1.320 1.205 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -7.089 -4.039 -0.238 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -7.683 -3.794 1.422 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -8.759 -4.486 0.185 1.00 20.00 H new ATOM 833 N GLU A 46 -11.001 -0.567 -0.604 1.00 20.00 N ATOM 834 CA GLU A 46 -11.530 0.691 -1.135 1.00 20.00 C ATOM 835 C GLU A 46 -12.231 1.507 -0.056 1.00 20.00 C ATOM 836 O GLU A 46 -12.201 2.734 -0.087 1.00 20.00 O ATOM 837 CB GLU A 46 -12.504 0.450 -2.291 1.00 20.00 C ATOM 838 CG GLU A 46 -11.928 -0.396 -3.410 1.00 20.00 C ATOM 839 CD GLU A 46 -12.808 -0.419 -4.638 1.00 20.00 C ATOM 840 OE1 GLU A 46 -13.900 -1.021 -4.591 1.00 20.00 O ATOM 841 OE2 GLU A 46 -12.404 0.162 -5.667 1.00 20.00 O ATOM 0 H GLU A 46 -11.350 -1.401 -1.076 1.00 20.00 H new ATOM 0 HA GLU A 46 -10.672 1.253 -1.504 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -13.399 -0.037 -1.904 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -12.815 1.412 -2.698 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -10.944 -0.012 -3.680 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -11.785 -1.415 -3.052 1.00 20.00 H new ATOM 848 N ARG A 47 -12.856 0.831 0.899 1.00 20.00 N ATOM 849 CA ARG A 47 -13.556 1.522 1.977 1.00 20.00 C ATOM 850 C ARG A 47 -12.567 2.181 2.933 1.00 20.00 C ATOM 851 O ARG A 47 -12.883 3.173 3.587 1.00 20.00 O ATOM 852 CB ARG A 47 -14.473 0.562 2.737 1.00 20.00 C ATOM 853 CG ARG A 47 -15.653 0.067 1.912 1.00 20.00 C ATOM 854 CD ARG A 47 -16.647 -0.707 2.766 1.00 20.00 C ATOM 855 NE ARG A 47 -16.091 -1.963 3.267 1.00 20.00 N ATOM 856 CZ ARG A 47 -16.009 -2.282 4.560 1.00 20.00 C ATOM 857 NH1 ARG A 47 -16.438 -1.435 5.493 1.00 20.00 N ATOM 858 NH2 ARG A 47 -15.506 -3.455 4.923 1.00 20.00 N ATOM 0 H ARG A 47 -12.894 -0.187 0.951 1.00 20.00 H new ATOM 0 HA ARG A 47 -14.172 2.301 1.529 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -13.890 -0.295 3.073 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -14.849 1.062 3.630 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -16.155 0.916 1.448 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -15.292 -0.570 1.105 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -16.957 -0.089 3.608 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -17.541 -0.917 2.178 1.00 20.00 H new ATOM 0 HE ARG A 47 -15.744 -2.638 2.585 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -16.833 -0.535 5.222 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -16.372 -1.686 6.479 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -15.182 -4.113 4.214 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -15.443 -3.699 5.911 1.00 20.00 H new ATOM 872 N ARG A 48 -11.363 1.635 2.995 1.00 20.00 N ATOM 873 CA ARG A 48 -10.309 2.203 3.825 1.00 20.00 C ATOM 874 C ARG A 48 -9.506 3.220 3.029 1.00 20.00 C ATOM 875 O ARG A 48 -9.159 4.294 3.524 1.00 20.00 O ATOM 876 CB ARG A 48 -9.386 1.101 4.347 1.00 20.00 C ATOM 877 CG ARG A 48 -10.042 0.153 5.344 1.00 20.00 C ATOM 878 CD ARG A 48 -10.365 0.842 6.665 1.00 20.00 C ATOM 879 NE ARG A 48 -11.482 1.784 6.557 1.00 20.00 N ATOM 880 CZ ARG A 48 -11.400 3.083 6.845 1.00 20.00 C ATOM 881 NH1 ARG A 48 -10.245 3.618 7.218 1.00 20.00 N ATOM 882 NH2 ARG A 48 -12.478 3.847 6.747 1.00 20.00 N ATOM 0 H ARG A 48 -11.090 0.798 2.480 1.00 20.00 H new ATOM 0 HA ARG A 48 -10.771 2.703 4.676 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -9.017 0.521 3.501 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -8.519 1.563 4.819 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -10.958 -0.249 4.912 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -9.379 -0.692 5.529 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -10.604 0.087 7.414 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -9.481 1.373 7.018 1.00 20.00 H new ATOM 0 HE ARG A 48 -12.382 1.422 6.241 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -9.411 3.035 7.286 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -10.191 4.613 7.437 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -13.366 3.441 6.452 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -12.420 4.841 6.966 1.00 20.00 H new ATOM 896 N MET A 49 -9.235 2.873 1.781 1.00 20.00 N ATOM 897 CA MET A 49 -8.474 3.719 0.875 1.00 20.00 C ATOM 898 C MET A 49 -9.261 4.983 0.543 1.00 20.00 C ATOM 899 O MET A 49 -8.699 5.979 0.084 1.00 20.00 O ATOM 900 CB MET A 49 -8.156 2.939 -0.401 1.00 20.00 C ATOM 901 CG MET A 49 -7.033 3.540 -1.226 1.00 20.00 C ATOM 902 SD MET A 49 -5.472 3.622 -0.323 1.00 20.00 S ATOM 903 CE MET A 49 -5.166 1.884 -0.007 1.00 20.00 C ATOM 0 H MET A 49 -9.538 1.992 1.366 1.00 20.00 H new ATOM 0 HA MET A 49 -7.542 4.014 1.357 1.00 20.00 H new ATOM 0 HB2 MET A 49 -7.890 1.917 -0.133 1.00 20.00 H new ATOM 0 HB3 MET A 49 -9.055 2.884 -1.015 1.00 20.00 H new ATOM 0 HG2 MET A 49 -6.894 2.947 -2.130 1.00 20.00 H new ATOM 0 HG3 MET A 49 -7.318 4.543 -1.543 1.00 20.00 H new ATOM 0 HE1 MET A 49 -4.120 1.742 0.265 1.00 20.00 H new ATOM 0 HE2 MET A 49 -5.803 1.545 0.810 1.00 20.00 H new ATOM 0 HE3 MET A 49 -5.389 1.306 -0.904 1.00 20.00 H new ATOM 913 N ALA A 50 -10.570 4.919 0.780 1.00 20.00 N ATOM 914 CA ALA A 50 -11.471 6.047 0.574 1.00 20.00 C ATOM 915 C ALA A 50 -10.956 7.311 1.248 1.00 20.00 C ATOM 916 O ALA A 50 -11.069 8.403 0.697 1.00 20.00 O ATOM 917 CB ALA A 50 -12.855 5.711 1.101 1.00 20.00 C ATOM 0 H ALA A 50 -11.036 4.078 1.122 1.00 20.00 H new ATOM 0 HA ALA A 50 -11.523 6.236 -0.498 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -13.521 6.560 0.943 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -13.244 4.841 0.572 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -12.795 5.491 2.167 1.00 20.00 H new ATOM 923 N GLU A 51 -10.377 7.152 2.435 1.00 20.00 N ATOM 924 CA GLU A 51 -9.851 8.286 3.184 1.00 20.00 C ATOM 925 C GLU A 51 -8.738 8.984 2.411 1.00 20.00 C ATOM 926 O GLU A 51 -8.638 10.211 2.422 1.00 20.00 O ATOM 927 CB GLU A 51 -9.335 7.848 4.556 1.00 20.00 C ATOM 928 CG GLU A 51 -10.427 7.404 5.515 1.00 20.00 C ATOM 929 CD GLU A 51 -9.931 7.293 6.943 1.00 20.00 C ATOM 930 OE1 GLU A 51 -9.465 8.311 7.494 1.00 20.00 O ATOM 931 OE2 GLU A 51 -10.002 6.191 7.521 1.00 20.00 O ATOM 0 H GLU A 51 -10.261 6.250 2.897 1.00 20.00 H new ATOM 0 HA GLU A 51 -10.671 8.990 3.328 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -8.628 7.029 4.422 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -8.784 8.674 5.006 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -11.253 8.114 5.474 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -10.819 6.439 5.193 1.00 20.00 H new ATOM 938 N ARG A 52 -7.915 8.199 1.727 1.00 20.00 N ATOM 939 CA ARG A 52 -6.816 8.751 0.949 1.00 20.00 C ATOM 940 C ARG A 52 -7.339 9.370 -0.340 1.00 20.00 C ATOM 941 O ARG A 52 -6.873 10.432 -0.760 1.00 20.00 O ATOM 942 CB ARG A 52 -5.770 7.677 0.631 1.00 20.00 C ATOM 943 CG ARG A 52 -5.034 7.144 1.854 1.00 20.00 C ATOM 944 CD ARG A 52 -3.944 6.160 1.459 1.00 20.00 C ATOM 945 NE ARG A 52 -2.905 6.786 0.641 1.00 20.00 N ATOM 946 CZ ARG A 52 -2.442 6.277 -0.500 1.00 20.00 C ATOM 947 NH1 ARG A 52 -2.944 5.150 -0.985 1.00 20.00 N ATOM 948 NH2 ARG A 52 -1.478 6.902 -1.162 1.00 20.00 N ATOM 0 H ARG A 52 -7.988 7.182 1.696 1.00 20.00 H new ATOM 0 HA ARG A 52 -6.337 9.526 1.547 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -6.261 6.846 0.125 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -5.042 8.090 -0.067 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -4.594 7.974 2.407 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -5.743 6.656 2.523 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -3.493 5.740 2.358 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -4.388 5.331 0.908 1.00 20.00 H new ATOM 0 HE ARG A 52 -2.510 7.669 0.965 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -3.690 4.667 -0.484 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -2.585 4.766 -1.859 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -1.091 7.773 -0.798 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -1.124 6.512 -2.035 1.00 20.00 H new ATOM 962 N PHE A 53 -8.317 8.711 -0.956 1.00 20.00 N ATOM 963 CA PHE A 53 -8.940 9.231 -2.164 1.00 20.00 C ATOM 964 C PHE A 53 -9.624 10.561 -1.877 1.00 20.00 C ATOM 965 O PHE A 53 -9.479 11.514 -2.635 1.00 20.00 O ATOM 966 CB PHE A 53 -9.965 8.244 -2.735 1.00 20.00 C ATOM 967 CG PHE A 53 -9.375 6.976 -3.292 1.00 20.00 C ATOM 968 CD1 PHE A 53 -8.202 6.999 -4.032 1.00 20.00 C ATOM 969 CD2 PHE A 53 -10.009 5.759 -3.088 1.00 20.00 C ATOM 970 CE1 PHE A 53 -7.674 5.834 -4.556 1.00 20.00 C ATOM 971 CE2 PHE A 53 -9.485 4.592 -3.608 1.00 20.00 C ATOM 972 CZ PHE A 53 -8.315 4.629 -4.343 1.00 20.00 C ATOM 0 H PHE A 53 -8.693 7.818 -0.637 1.00 20.00 H new ATOM 0 HA PHE A 53 -8.152 9.377 -2.903 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -10.675 7.984 -1.950 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -10.529 8.743 -3.523 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -7.695 7.938 -4.201 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -10.924 5.724 -2.515 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -6.761 5.866 -5.132 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -9.989 3.651 -3.441 1.00 20.00 H new ATOM 0 HZ PHE A 53 -7.903 3.718 -4.750 1.00 20.00 H new ATOM 982 N ALA A 54 -10.348 10.619 -0.767 1.00 20.00 N ATOM 983 CA ALA A 54 -11.063 11.823 -0.374 1.00 20.00 C ATOM 984 C ALA A 54 -10.106 12.989 -0.145 1.00 20.00 C ATOM 985 O ALA A 54 -10.371 14.112 -0.575 1.00 20.00 O ATOM 986 CB ALA A 54 -11.886 11.559 0.874 1.00 20.00 C ATOM 0 H ALA A 54 -10.455 9.839 -0.119 1.00 20.00 H new ATOM 0 HA ALA A 54 -11.732 12.099 -1.189 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -12.417 12.467 1.159 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -12.606 10.766 0.674 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -11.227 11.254 1.687 1.00 20.00 H new ATOM 992 N LYS A 55 -8.987 12.719 0.522 1.00 20.00 N ATOM 993 CA LYS A 55 -7.996 13.756 0.802 1.00 20.00 C ATOM 994 C LYS A 55 -7.316 14.229 -0.477 1.00 20.00 C ATOM 995 O LYS A 55 -6.961 15.399 -0.604 1.00 20.00 O ATOM 996 CB LYS A 55 -6.943 13.257 1.799 1.00 20.00 C ATOM 997 CG LYS A 55 -7.475 13.057 3.215 1.00 20.00 C ATOM 998 CD LYS A 55 -7.981 14.358 3.829 1.00 20.00 C ATOM 999 CE LYS A 55 -6.867 15.383 4.003 1.00 20.00 C ATOM 1000 NZ LYS A 55 -5.839 14.932 4.979 1.00 20.00 N ATOM 0 H LYS A 55 -8.744 11.795 0.878 1.00 20.00 H new ATOM 0 HA LYS A 55 -8.525 14.599 1.245 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -6.535 12.313 1.438 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -6.119 13.970 1.829 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -8.284 12.327 3.198 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -6.686 12.644 3.843 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -8.763 14.777 3.195 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -8.434 14.148 4.798 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -6.394 15.570 3.039 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -7.294 16.328 4.338 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -5.196 15.720 5.195 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -6.305 14.616 5.853 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -5.296 14.144 4.572 1.00 20.00 H new ATOM 1014 N MET A 56 -7.141 13.318 -1.422 1.00 20.00 N ATOM 1015 CA MET A 56 -6.525 13.647 -2.703 1.00 20.00 C ATOM 1016 C MET A 56 -7.519 14.388 -3.594 1.00 20.00 C ATOM 1017 O MET A 56 -7.165 15.342 -4.292 1.00 20.00 O ATOM 1018 CB MET A 56 -6.041 12.366 -3.394 1.00 20.00 C ATOM 1019 CG MET A 56 -5.427 12.589 -4.769 1.00 20.00 C ATOM 1020 SD MET A 56 -4.922 11.046 -5.557 1.00 20.00 S ATOM 1021 CE MET A 56 -6.493 10.193 -5.684 1.00 20.00 C ATOM 0 H MET A 56 -7.417 12.341 -1.327 1.00 20.00 H new ATOM 0 HA MET A 56 -5.668 14.297 -2.527 1.00 20.00 H new ATOM 0 HB2 MET A 56 -5.305 11.879 -2.755 1.00 20.00 H new ATOM 0 HB3 MET A 56 -6.882 11.680 -3.492 1.00 20.00 H new ATOM 0 HG2 MET A 56 -6.148 13.100 -5.407 1.00 20.00 H new ATOM 0 HG3 MET A 56 -4.562 13.246 -4.675 1.00 20.00 H new ATOM 0 HE1 MET A 56 -6.413 9.390 -6.417 1.00 20.00 H new ATOM 0 HE2 MET A 56 -6.759 9.774 -4.714 1.00 20.00 H new ATOM 0 HE3 MET A 56 -7.264 10.896 -5.999 1.00 20.00 H new ATOM 1031 N ARG A 57 -8.769 13.951 -3.538 1.00 20.00 N ATOM 1032 CA ARG A 57 -9.843 14.542 -4.323 1.00 20.00 C ATOM 1033 C ARG A 57 -10.209 15.918 -3.771 1.00 20.00 C ATOM 1034 O ARG A 57 -10.799 16.749 -4.458 1.00 20.00 O ATOM 1035 CB ARG A 57 -11.056 13.607 -4.303 1.00 20.00 C ATOM 1036 CG ARG A 57 -12.188 14.004 -5.234 1.00 20.00 C ATOM 1037 CD ARG A 57 -13.272 12.940 -5.231 1.00 20.00 C ATOM 1038 NE ARG A 57 -14.404 13.283 -6.087 1.00 20.00 N ATOM 1039 CZ ARG A 57 -15.456 12.488 -6.272 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -15.507 11.302 -5.676 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -16.456 12.877 -7.054 1.00 20.00 N ATOM 0 H ARG A 57 -9.067 13.176 -2.946 1.00 20.00 H new ATOM 0 HA ARG A 57 -9.512 14.672 -5.353 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -10.725 12.602 -4.565 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -11.443 13.560 -3.285 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -12.607 14.960 -4.921 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -11.805 14.140 -6.246 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -12.846 11.993 -5.562 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -13.626 12.791 -4.211 1.00 20.00 H new ATOM 0 HE ARG A 57 -14.388 14.181 -6.570 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -14.740 10.999 -5.076 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -16.313 10.694 -5.818 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -16.419 13.786 -7.514 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -17.261 12.266 -7.194 1.00 20.00 H new