USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=3 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 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 1.08 K(o=1.1,f=-4.4!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -165:sc= -0.0712 (180deg=-0.468) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -29.247 -0.723 7.404 1.00 20.00 N ATOM 365 CA GLU A 16 -30.286 -0.657 6.370 1.00 20.00 C ATOM 366 C GLU A 16 -29.719 -0.879 4.966 1.00 20.00 C ATOM 367 O GLU A 16 -30.232 -1.700 4.207 1.00 20.00 O ATOM 368 CB GLU A 16 -31.007 0.693 6.416 1.00 20.00 C ATOM 369 CG GLU A 16 -32.154 0.801 5.423 1.00 20.00 C ATOM 370 CD GLU A 16 -32.714 2.203 5.316 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.336 2.678 6.290 1.00 20.00 O ATOM 372 OE2 GLU A 16 -32.534 2.837 4.254 1.00 20.00 O ATOM 0 HA GLU A 16 -30.992 -1.460 6.582 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.392 0.857 7.423 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.288 1.487 6.216 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.809 0.478 4.441 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.951 0.119 5.721 1.00 20.00 H new ATOM 379 N GLN A 17 -28.655 -0.157 4.628 1.00 20.00 N ATOM 380 CA GLN A 17 -28.058 -0.258 3.299 1.00 20.00 C ATOM 381 C GLN A 17 -27.427 -1.629 3.077 1.00 20.00 C ATOM 382 O GLN A 17 -27.491 -2.181 1.980 1.00 20.00 O ATOM 383 CB GLN A 17 -27.009 0.837 3.083 1.00 20.00 C ATOM 384 CG GLN A 17 -27.581 2.248 3.075 1.00 20.00 C ATOM 385 CD GLN A 17 -26.548 3.292 2.693 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.866 3.860 3.549 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.420 3.548 1.402 1.00 20.00 N ATOM 0 H GLN A 17 -28.190 0.502 5.252 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.861 -0.125 2.574 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.257 0.765 3.868 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.500 0.657 2.136 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.415 2.294 2.375 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.980 2.480 4.062 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.003 3.057 0.724 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -25.738 4.237 1.084 1.00 20.00 H new ATOM 396 N GLU A 18 -26.851 -2.190 4.132 1.00 20.00 N ATOM 397 CA GLU A 18 -26.158 -3.467 4.032 1.00 20.00 C ATOM 398 C GLU A 18 -27.161 -4.606 3.849 1.00 20.00 C ATOM 399 O GLU A 18 -26.802 -5.708 3.438 1.00 20.00 O ATOM 400 CB GLU A 18 -25.284 -3.699 5.271 1.00 20.00 C ATOM 401 CG GLU A 18 -24.394 -4.931 5.180 1.00 20.00 C ATOM 402 CD GLU A 18 -23.450 -5.053 6.354 1.00 20.00 C ATOM 403 OE1 GLU A 18 -23.915 -5.375 7.464 1.00 20.00 O ATOM 404 OE2 GLU A 18 -22.232 -4.832 6.171 1.00 20.00 O ATOM 0 H GLU A 18 -26.850 -1.781 5.066 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.508 -3.444 3.157 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -24.657 -2.822 5.430 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -25.928 -3.793 6.145 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.018 -5.823 5.126 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -23.816 -4.890 4.257 1.00 20.00 H new ATOM 411 N ASN A 19 -28.430 -4.324 4.127 1.00 20.00 N ATOM 412 CA ASN A 19 -29.499 -5.300 3.916 1.00 20.00 C ATOM 413 C ASN A 19 -29.687 -5.613 2.435 1.00 20.00 C ATOM 414 O ASN A 19 -30.344 -6.587 2.084 1.00 20.00 O ATOM 415 CB ASN A 19 -30.824 -4.826 4.520 1.00 20.00 C ATOM 416 CG ASN A 19 -30.894 -5.055 6.018 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.537 -4.186 6.811 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.362 -6.229 6.415 1.00 20.00 N ATOM 0 H ASN A 19 -28.745 -3.428 4.499 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.194 -6.213 4.428 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.956 -3.764 4.311 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.648 -5.350 4.037 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.436 -6.438 7.411 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.648 -6.924 5.725 1.00 20.00 H new ATOM 425 N SER A 20 -29.124 -4.782 1.567 1.00 20.00 N ATOM 426 CA SER A 20 -29.176 -5.038 0.133 1.00 20.00 C ATOM 427 C SER A 20 -28.000 -5.931 -0.277 1.00 20.00 C ATOM 428 O SER A 20 -28.034 -6.602 -1.309 1.00 20.00 O ATOM 429 CB SER A 20 -29.143 -3.716 -0.644 1.00 20.00 C ATOM 430 OG SER A 20 -29.536 -3.901 -1.994 1.00 20.00 O ATOM 0 H SER A 20 -28.629 -3.930 1.829 1.00 20.00 H new ATOM 0 HA SER A 20 -30.108 -5.552 -0.104 1.00 20.00 H new ATOM 0 HB2 SER A 20 -29.805 -2.994 -0.166 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.137 -3.297 -0.610 1.00 20.00 H new ATOM 0 HG SER A 20 -29.507 -3.042 -2.464 1.00 20.00 H new ATOM 436 N TYR A 21 -26.975 -5.945 0.565 1.00 20.00 N ATOM 437 CA TYR A 21 -25.759 -6.721 0.327 1.00 20.00 C ATOM 438 C TYR A 21 -25.832 -8.058 1.055 1.00 20.00 C ATOM 439 O TYR A 21 -25.021 -8.956 0.819 1.00 20.00 O ATOM 440 CB TYR A 21 -24.528 -5.942 0.797 1.00 20.00 C ATOM 441 CG TYR A 21 -24.308 -4.635 0.062 1.00 20.00 C ATOM 442 CD1 TYR A 21 -24.978 -3.481 0.443 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.424 -4.555 -1.009 1.00 20.00 C ATOM 444 CE1 TYR A 21 -24.777 -2.286 -0.217 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.220 -3.360 -1.675 1.00 20.00 C ATOM 446 CZ TYR A 21 -23.899 -2.230 -1.274 1.00 20.00 C ATOM 447 OH TYR A 21 -23.694 -1.037 -1.930 1.00 20.00 O ATOM 0 H TYR A 21 -26.961 -5.417 1.437 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.674 -6.905 -0.744 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.626 -5.736 1.863 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.645 -6.569 0.674 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -25.670 -3.519 1.272 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -22.889 -5.439 -1.325 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -25.307 -1.398 0.095 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.531 -3.313 -2.506 1.00 20.00 H new ATOM 0 HH TYR A 21 -23.044 -1.168 -2.651 1.00 20.00 H new ATOM 457 N ASN A 22 -26.800 -8.147 1.967 1.00 20.00 N ATOM 458 CA ASN A 22 -26.992 -9.300 2.863 1.00 20.00 C ATOM 459 C ASN A 22 -26.897 -10.652 2.151 1.00 20.00 C ATOM 460 O ASN A 22 -26.609 -11.658 2.787 1.00 20.00 O ATOM 461 CB ASN A 22 -28.357 -9.204 3.560 1.00 20.00 C ATOM 462 CG ASN A 22 -29.526 -9.440 2.611 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.440 -9.166 1.413 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.632 -9.937 3.141 1.00 20.00 N ATOM 0 H ASN A 22 -27.489 -7.408 2.111 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.178 -9.256 3.587 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.399 -9.934 4.368 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.458 -8.219 4.015 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -31.449 -10.105 2.553 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.668 -10.152 4.137 1.00 20.00 H new ATOM 471 N GLU A 23 -27.150 -10.677 0.848 1.00 20.00 N ATOM 472 CA GLU A 23 -27.088 -11.911 0.072 1.00 20.00 C ATOM 473 C GLU A 23 -25.717 -12.579 0.225 1.00 20.00 C ATOM 474 O GLU A 23 -25.618 -13.804 0.313 1.00 20.00 O ATOM 475 CB GLU A 23 -27.382 -11.621 -1.401 1.00 20.00 C ATOM 476 CG GLU A 23 -27.629 -12.867 -2.233 1.00 20.00 C ATOM 477 CD GLU A 23 -27.942 -12.546 -3.678 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.056 -12.054 -3.960 1.00 20.00 O ATOM 479 OE2 GLU A 23 -27.075 -12.774 -4.542 1.00 20.00 O ATOM 0 H GLU A 23 -27.401 -9.852 0.303 1.00 20.00 H new ATOM 0 HA GLU A 23 -27.844 -12.598 0.452 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.256 -10.972 -1.467 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -26.544 -11.071 -1.828 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -26.750 -13.509 -2.189 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.457 -13.430 -1.802 1.00 20.00 H new ATOM 486 N TRP A 24 -24.669 -11.764 0.285 1.00 20.00 N ATOM 487 CA TRP A 24 -23.313 -12.267 0.475 1.00 20.00 C ATOM 488 C TRP A 24 -23.127 -12.766 1.906 1.00 20.00 C ATOM 489 O TRP A 24 -22.465 -13.775 2.146 1.00 20.00 O ATOM 490 CB TRP A 24 -22.292 -11.167 0.152 1.00 20.00 C ATOM 491 CG TRP A 24 -20.865 -11.590 0.336 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.174 -12.503 -0.409 1.00 20.00 C ATOM 493 CD2 TRP A 24 -19.949 -11.106 1.328 1.00 20.00 C ATOM 494 NE1 TRP A 24 -18.889 -12.619 0.061 1.00 20.00 N ATOM 495 CE2 TRP A 24 -18.726 -11.772 1.126 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.045 -10.175 2.366 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -17.608 -11.535 1.923 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -18.935 -9.944 3.158 1.00 20.00 C ATOM 499 CH2 TRP A 24 -17.731 -10.621 2.933 1.00 20.00 C ATOM 0 H TRP A 24 -24.733 -10.749 0.205 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.150 -13.104 -0.204 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.435 -10.844 -0.879 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.490 -10.304 0.787 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.579 -13.053 -1.245 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.172 -13.236 -0.321 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.969 -9.646 2.546 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -16.677 -12.055 1.749 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.998 -9.228 3.964 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -16.882 -10.418 3.569 1.00 20.00 H new ATOM 510 N LEU A 25 -23.741 -12.066 2.850 1.00 20.00 N ATOM 511 CA LEU A 25 -23.632 -12.420 4.259 1.00 20.00 C ATOM 512 C LEU A 25 -24.450 -13.672 4.561 1.00 20.00 C ATOM 513 O LEU A 25 -24.114 -14.444 5.457 1.00 20.00 O ATOM 514 CB LEU A 25 -24.103 -11.257 5.136 1.00 20.00 C ATOM 515 CG LEU A 25 -23.288 -9.965 5.001 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.947 -8.837 5.781 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.861 -10.176 5.490 1.00 20.00 C ATOM 0 H LEU A 25 -24.321 -11.248 2.665 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.586 -12.627 4.483 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.143 -11.038 4.894 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.079 -11.576 6.178 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.256 -9.691 3.947 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.356 -7.927 5.675 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.951 -8.665 5.393 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -24.007 -9.110 6.835 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.300 -9.248 5.386 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.876 -10.475 6.538 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.385 -10.957 4.897 1.00 20.00 H new ATOM 529 N ARG A 26 -25.515 -13.870 3.794 1.00 20.00 N ATOM 530 CA ARG A 26 -26.363 -15.044 3.939 1.00 20.00 C ATOM 531 C ARG A 26 -25.585 -16.304 3.571 1.00 20.00 C ATOM 532 O ARG A 26 -25.808 -17.372 4.141 1.00 20.00 O ATOM 533 CB ARG A 26 -27.615 -14.915 3.066 1.00 20.00 C ATOM 534 CG ARG A 26 -28.610 -16.047 3.260 1.00 20.00 C ATOM 535 CD ARG A 26 -29.814 -15.905 2.344 1.00 20.00 C ATOM 536 NE ARG A 26 -30.782 -16.982 2.555 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.021 -16.983 2.064 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.432 -15.993 1.279 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.842 -17.987 2.341 1.00 20.00 N ATOM 0 H ARG A 26 -25.812 -13.227 3.060 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.677 -15.118 4.980 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.107 -13.968 3.288 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.316 -14.881 2.018 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.118 -17.000 3.068 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.943 -16.064 4.298 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.295 -14.943 2.521 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.484 -15.910 1.305 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.490 -17.784 3.114 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.798 -15.227 1.050 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.381 -15.999 0.906 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.525 -18.758 2.929 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.790 -17.989 1.966 1.00 20.00 H new ATOM 553 N ALA A 27 -24.654 -16.164 2.633 1.00 20.00 N ATOM 554 CA ALA A 27 -23.782 -17.268 2.254 1.00 20.00 C ATOM 555 C ALA A 27 -22.877 -17.642 3.420 1.00 20.00 C ATOM 556 O ALA A 27 -22.519 -18.806 3.604 1.00 20.00 O ATOM 557 CB ALA A 27 -22.952 -16.900 1.034 1.00 20.00 C ATOM 0 H ALA A 27 -24.485 -15.297 2.122 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.400 -18.129 1.999 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -22.307 -17.737 0.767 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -23.614 -16.671 0.199 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -22.339 -16.028 1.261 1.00 20.00 H new ATOM 563 N LYS A 28 -22.534 -16.640 4.218 1.00 20.00 N ATOM 564 CA LYS A 28 -21.717 -16.844 5.406 1.00 20.00 C ATOM 565 C LYS A 28 -22.536 -17.526 6.494 1.00 20.00 C ATOM 566 O LYS A 28 -21.994 -18.219 7.354 1.00 20.00 O ATOM 567 CB LYS A 28 -21.170 -15.508 5.922 1.00 20.00 C ATOM 568 CG LYS A 28 -20.190 -14.828 4.972 1.00 20.00 C ATOM 569 CD LYS A 28 -18.905 -15.632 4.806 1.00 20.00 C ATOM 570 CE LYS A 28 -18.163 -15.803 6.128 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.887 -16.544 5.954 1.00 20.00 N ATOM 0 H LYS A 28 -22.811 -15.671 4.062 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.875 -17.483 5.139 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -22.006 -14.833 6.109 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.675 -15.675 6.879 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.662 -14.694 3.999 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.950 -13.834 5.349 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.142 -16.613 4.394 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.255 -15.133 4.087 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.958 -14.823 6.559 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.799 -16.336 6.835 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.413 -16.640 6.875 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.084 -17.489 5.566 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.270 -16.023 5.299 1.00 20.00 H new ATOM 585 N VAL A 29 -23.844 -17.314 6.450 1.00 20.00 N ATOM 586 CA VAL A 29 -24.759 -17.971 7.371 1.00 20.00 C ATOM 587 C VAL A 29 -24.994 -19.411 6.935 1.00 20.00 C ATOM 588 O VAL A 29 -25.098 -20.317 7.759 1.00 20.00 O ATOM 589 CB VAL A 29 -26.110 -17.226 7.453 1.00 20.00 C ATOM 590 CG1 VAL A 29 -27.073 -17.938 8.390 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.898 -15.789 7.898 1.00 20.00 C ATOM 0 H VAL A 29 -24.296 -16.689 5.783 1.00 20.00 H new ATOM 0 HA VAL A 29 -24.302 -17.957 8.361 1.00 20.00 H new ATOM 0 HB VAL A 29 -26.553 -17.221 6.457 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -28.015 -17.391 8.428 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -27.255 -18.949 8.025 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.640 -17.985 9.389 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.860 -15.279 7.950 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.427 -15.778 8.881 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -25.255 -15.278 7.182 1.00 20.00 H new ATOM 772 N HIS A 42 -30.336 -3.017 19.296 1.00 20.00 N ATOM 773 CA HIS A 42 -31.606 -2.310 19.301 1.00 20.00 C ATOM 774 C HIS A 42 -31.475 -0.999 20.059 1.00 20.00 C ATOM 775 O HIS A 42 -32.074 0.004 19.677 1.00 20.00 O ATOM 776 CB HIS A 42 -32.702 -3.186 19.926 1.00 20.00 C ATOM 777 CG HIS A 42 -34.057 -2.541 19.975 1.00 20.00 C ATOM 778 ND1 HIS A 42 -35.010 -2.719 18.998 1.00 20.00 N ATOM 779 CD2 HIS A 42 -34.615 -1.716 20.893 1.00 20.00 C ATOM 780 CE1 HIS A 42 -36.093 -2.034 19.312 1.00 20.00 C ATOM 781 NE2 HIS A 42 -35.881 -1.416 20.458 1.00 20.00 N ATOM 0 HA HIS A 42 -31.887 -2.088 18.271 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -32.775 -4.115 19.360 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -32.403 -3.453 20.940 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -34.149 -1.360 21.800 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -37.001 -1.987 18.729 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -36.548 -0.814 20.941 1.00 20.00 H new ATOM 790 N ASP A 43 -30.682 -1.013 21.124 1.00 20.00 N ATOM 791 CA ASP A 43 -30.509 0.170 21.960 1.00 20.00 C ATOM 792 C ASP A 43 -29.954 1.334 21.155 1.00 20.00 C ATOM 793 O ASP A 43 -30.516 2.425 21.175 1.00 20.00 O ATOM 794 CB ASP A 43 -29.593 -0.122 23.151 1.00 20.00 C ATOM 795 CG ASP A 43 -29.279 1.129 23.953 1.00 20.00 C ATOM 796 OD1 ASP A 43 -30.126 1.548 24.771 1.00 20.00 O ATOM 797 OD2 ASP A 43 -28.187 1.702 23.765 1.00 20.00 O ATOM 0 H ASP A 43 -30.150 -1.828 21.429 1.00 20.00 H new ATOM 0 HA ASP A 43 -31.494 0.445 22.338 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -30.067 -0.858 23.800 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -28.664 -0.565 22.793 1.00 20.00 H new ATOM 802 N GLU A 44 -28.872 1.084 20.424 1.00 20.00 N ATOM 803 CA GLU A 44 -28.213 2.126 19.647 1.00 20.00 C ATOM 804 C GLU A 44 -29.169 2.746 18.635 1.00 20.00 C ATOM 805 O GLU A 44 -29.275 3.967 18.533 1.00 20.00 O ATOM 806 CB GLU A 44 -26.987 1.563 18.924 1.00 20.00 C ATOM 807 CG GLU A 44 -26.254 2.605 18.097 1.00 20.00 C ATOM 808 CD GLU A 44 -25.108 2.025 17.305 1.00 20.00 C ATOM 809 OE1 GLU A 44 -23.980 1.973 17.833 1.00 20.00 O ATOM 810 OE2 GLU A 44 -25.329 1.618 16.145 1.00 20.00 O ATOM 0 H GLU A 44 -28.433 0.166 20.354 1.00 20.00 H new ATOM 0 HA GLU A 44 -27.893 2.903 20.341 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -26.301 1.142 19.659 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -27.299 0.745 18.274 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -26.958 3.080 17.414 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -25.875 3.385 18.757 1.00 20.00 H new ATOM 817 N VAL A 45 -29.874 1.900 17.902 1.00 20.00 N ATOM 818 CA VAL A 45 -30.789 2.370 16.877 1.00 20.00 C ATOM 819 C VAL A 45 -31.948 3.142 17.501 1.00 20.00 C ATOM 820 O VAL A 45 -32.258 4.259 17.085 1.00 20.00 O ATOM 821 CB VAL A 45 -31.340 1.201 16.036 1.00 20.00 C ATOM 822 CG1 VAL A 45 -32.279 1.707 14.954 1.00 20.00 C ATOM 823 CG2 VAL A 45 -30.201 0.404 15.422 1.00 20.00 C ATOM 0 H VAL A 45 -29.830 0.885 17.998 1.00 20.00 H new ATOM 0 HA VAL A 45 -30.227 3.034 16.220 1.00 20.00 H new ATOM 0 HB VAL A 45 -31.906 0.545 16.697 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -32.654 0.864 14.374 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -33.116 2.232 15.415 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -31.741 2.389 14.295 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -30.608 -0.417 14.832 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -29.608 1.054 14.779 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -29.569 0.003 16.214 1.00 20.00 H new ATOM 833 N GLU A 46 -32.558 2.555 18.523 1.00 20.00 N ATOM 834 CA GLU A 46 -33.733 3.146 19.153 1.00 20.00 C ATOM 835 C GLU A 46 -33.392 4.469 19.834 1.00 20.00 C ATOM 836 O GLU A 46 -34.111 5.453 19.669 1.00 20.00 O ATOM 837 CB GLU A 46 -34.353 2.179 20.168 1.00 20.00 C ATOM 838 CG GLU A 46 -35.655 2.685 20.773 1.00 20.00 C ATOM 839 CD GLU A 46 -36.249 1.719 21.775 1.00 20.00 C ATOM 840 OE1 GLU A 46 -36.980 0.795 21.359 1.00 20.00 O ATOM 841 OE2 GLU A 46 -35.997 1.882 22.986 1.00 20.00 O ATOM 0 H GLU A 46 -32.259 1.670 18.934 1.00 20.00 H new ATOM 0 HA GLU A 46 -34.460 3.343 18.366 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -34.536 1.222 19.680 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -33.636 1.997 20.969 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -35.476 3.643 21.261 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -36.376 2.863 19.975 1.00 20.00 H new ATOM 848 N ARG A 47 -32.286 4.494 20.575 1.00 20.00 N ATOM 849 CA ARG A 47 -31.894 5.683 21.330 1.00 20.00 C ATOM 850 C ARG A 47 -31.570 6.842 20.388 1.00 20.00 C ATOM 851 O ARG A 47 -31.833 8.004 20.703 1.00 20.00 O ATOM 852 CB ARG A 47 -30.679 5.385 22.225 1.00 20.00 C ATOM 853 CG ARG A 47 -29.370 5.261 21.458 1.00 20.00 C ATOM 854 CD ARG A 47 -28.212 4.847 22.352 1.00 20.00 C ATOM 855 NE ARG A 47 -26.938 4.893 21.634 1.00 20.00 N ATOM 856 CZ ARG A 47 -25.992 3.958 21.710 1.00 20.00 C ATOM 857 NH1 ARG A 47 -26.182 2.860 22.429 1.00 20.00 N ATOM 858 NH2 ARG A 47 -24.855 4.117 21.046 1.00 20.00 N ATOM 0 H ARG A 47 -31.646 3.705 20.669 1.00 20.00 H new ATOM 0 HA ARG A 47 -32.735 5.968 21.962 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -30.582 6.178 22.966 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -30.859 4.459 22.771 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -29.488 4.529 20.659 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -29.137 6.215 20.985 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -28.166 5.506 23.219 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -28.383 3.838 22.727 1.00 20.00 H new ATOM 0 HE ARG A 47 -26.762 5.698 21.033 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -27.060 2.725 22.931 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -25.451 2.151 22.480 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -24.708 4.953 20.480 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -24.128 3.404 21.101 1.00 20.00 H new ATOM 872 N ARG A 48 -31.020 6.513 19.223 1.00 20.00 N ATOM 873 CA ARG A 48 -30.603 7.522 18.261 1.00 20.00 C ATOM 874 C ARG A 48 -31.810 8.084 17.519 1.00 20.00 C ATOM 875 O ARG A 48 -31.862 9.277 17.205 1.00 20.00 O ATOM 876 CB ARG A 48 -29.598 6.918 17.277 1.00 20.00 C ATOM 877 CG ARG A 48 -28.957 7.936 16.350 1.00 20.00 C ATOM 878 CD ARG A 48 -27.834 7.316 15.532 1.00 20.00 C ATOM 879 NE ARG A 48 -27.128 8.314 14.728 1.00 20.00 N ATOM 880 CZ ARG A 48 -25.824 8.577 14.839 1.00 20.00 C ATOM 881 NH1 ARG A 48 -25.081 7.927 15.730 1.00 20.00 N ATOM 882 NH2 ARG A 48 -25.267 9.502 14.069 1.00 20.00 N ATOM 0 H ARG A 48 -30.853 5.552 18.924 1.00 20.00 H new ATOM 0 HA ARG A 48 -30.122 8.342 18.795 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -28.815 6.409 17.839 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -30.102 6.161 16.676 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -29.713 8.346 15.680 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -28.565 8.767 16.936 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -27.128 6.823 16.200 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -28.244 6.547 14.878 1.00 20.00 H new ATOM 0 HE ARG A 48 -27.666 8.841 14.040 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -25.507 7.223 16.333 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -24.085 8.132 15.810 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -25.835 10.012 13.392 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -24.271 9.703 14.153 1.00 20.00 H new ATOM 896 N MET A 49 -32.782 7.224 17.254 1.00 20.00 N ATOM 897 CA MET A 49 -34.006 7.640 16.585 1.00 20.00 C ATOM 898 C MET A 49 -34.915 8.387 17.550 1.00 20.00 C ATOM 899 O MET A 49 -35.611 9.320 17.161 1.00 20.00 O ATOM 900 CB MET A 49 -34.742 6.434 16.004 1.00 20.00 C ATOM 901 CG MET A 49 -33.964 5.713 14.920 1.00 20.00 C ATOM 902 SD MET A 49 -33.591 6.765 13.506 1.00 20.00 S ATOM 903 CE MET A 49 -32.651 5.626 12.492 1.00 20.00 C ATOM 0 H MET A 49 -32.747 6.233 17.492 1.00 20.00 H new ATOM 0 HA MET A 49 -33.733 8.309 15.769 1.00 20.00 H new ATOM 0 HB2 MET A 49 -34.964 5.732 16.808 1.00 20.00 H new ATOM 0 HB3 MET A 49 -35.697 6.764 15.596 1.00 20.00 H new ATOM 0 HG2 MET A 49 -33.032 5.334 15.340 1.00 20.00 H new ATOM 0 HG3 MET A 49 -34.537 4.849 14.583 1.00 20.00 H new ATOM 0 HE1 MET A 49 -32.343 6.126 11.573 1.00 20.00 H new ATOM 0 HE2 MET A 49 -31.768 5.296 13.039 1.00 20.00 H new ATOM 0 HE3 MET A 49 -33.269 4.763 12.246 1.00 20.00 H new ATOM 913 N ALA A 50 -34.890 7.974 18.815 1.00 20.00 N ATOM 914 CA ALA A 50 -35.708 8.594 19.852 1.00 20.00 C ATOM 915 C ALA A 50 -35.453 10.091 19.934 1.00 20.00 C ATOM 916 O ALA A 50 -36.383 10.883 20.088 1.00 20.00 O ATOM 917 CB ALA A 50 -35.434 7.947 21.198 1.00 20.00 C ATOM 0 H ALA A 50 -34.307 7.206 19.147 1.00 20.00 H new ATOM 0 HA ALA A 50 -36.754 8.441 19.588 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -36.052 8.420 21.962 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -35.672 6.884 21.146 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -34.382 8.071 21.454 1.00 20.00 H new ATOM 923 N GLU A 51 -34.187 10.469 19.809 1.00 20.00 N ATOM 924 CA GLU A 51 -33.795 11.871 19.847 1.00 20.00 C ATOM 925 C GLU A 51 -34.412 12.620 18.671 1.00 20.00 C ATOM 926 O GLU A 51 -34.891 13.745 18.811 1.00 20.00 O ATOM 927 CB GLU A 51 -32.273 12.007 19.797 1.00 20.00 C ATOM 928 CG GLU A 51 -31.541 11.249 20.891 1.00 20.00 C ATOM 929 CD GLU A 51 -30.045 11.461 20.832 1.00 20.00 C ATOM 930 OE1 GLU A 51 -29.444 11.191 19.771 1.00 20.00 O ATOM 931 OE2 GLU A 51 -29.463 11.917 21.838 1.00 20.00 O ATOM 0 H GLU A 51 -33.411 9.820 19.680 1.00 20.00 H new ATOM 0 HA GLU A 51 -34.157 12.301 20.781 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -31.920 11.654 18.828 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -32.012 13.063 19.866 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -31.913 11.570 21.864 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -31.759 10.185 20.801 1.00 20.00 H new ATOM 938 N ARG A 52 -34.414 11.967 17.519 1.00 20.00 N ATOM 939 CA ARG A 52 -34.943 12.546 16.297 1.00 20.00 C ATOM 940 C ARG A 52 -36.461 12.650 16.369 1.00 20.00 C ATOM 941 O ARG A 52 -37.042 13.681 16.021 1.00 20.00 O ATOM 942 CB ARG A 52 -34.519 11.683 15.109 1.00 20.00 C ATOM 943 CG ARG A 52 -34.913 12.240 13.751 1.00 20.00 C ATOM 944 CD ARG A 52 -34.314 11.399 12.639 1.00 20.00 C ATOM 945 NE ARG A 52 -32.865 11.270 12.795 1.00 20.00 N ATOM 946 CZ ARG A 52 -32.130 10.312 12.239 1.00 20.00 C ATOM 947 NH1 ARG A 52 -32.693 9.398 11.452 1.00 20.00 N ATOM 948 NH2 ARG A 52 -30.823 10.266 12.473 1.00 20.00 N ATOM 0 H ARG A 52 -34.049 11.021 17.407 1.00 20.00 H new ATOM 0 HA ARG A 52 -34.544 13.553 16.172 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -33.437 11.558 15.136 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -34.958 10.692 15.222 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -35.999 12.256 13.659 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -34.570 13.271 13.661 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -34.772 10.410 12.641 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -34.540 11.853 11.674 1.00 20.00 H new ATOM 0 HE ARG A 52 -32.386 11.963 13.370 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -33.696 9.429 11.271 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -32.121 8.667 11.030 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -30.388 10.964 13.077 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -30.254 9.533 12.049 1.00 20.00 H new ATOM 962 N PHE A 53 -37.097 11.584 16.846 1.00 20.00 N ATOM 963 CA PHE A 53 -38.541 11.563 17.001 1.00 20.00 C ATOM 964 C PHE A 53 -38.992 12.602 18.016 1.00 20.00 C ATOM 965 O PHE A 53 -40.088 13.138 17.911 1.00 20.00 O ATOM 966 CB PHE A 53 -39.030 10.174 17.418 1.00 20.00 C ATOM 967 CG PHE A 53 -38.938 9.146 16.324 1.00 20.00 C ATOM 968 CD1 PHE A 53 -39.452 9.409 15.062 1.00 20.00 C ATOM 969 CD2 PHE A 53 -38.346 7.917 16.559 1.00 20.00 C ATOM 970 CE1 PHE A 53 -39.373 8.463 14.058 1.00 20.00 C ATOM 971 CE2 PHE A 53 -38.264 6.969 15.559 1.00 20.00 C ATOM 972 CZ PHE A 53 -38.778 7.242 14.307 1.00 20.00 C ATOM 0 H PHE A 53 -36.630 10.723 17.131 1.00 20.00 H new ATOM 0 HA PHE A 53 -38.980 11.807 16.034 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -38.446 9.835 18.273 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -40.066 10.248 17.749 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -39.918 10.363 14.863 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -37.943 7.697 17.537 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -39.776 8.678 13.079 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -37.798 6.015 15.756 1.00 20.00 H new ATOM 0 HZ PHE A 53 -38.715 6.502 13.523 1.00 20.00 H new ATOM 982 N ALA A 54 -38.138 12.883 18.993 1.00 20.00 N ATOM 983 CA ALA A 54 -38.430 13.897 19.999 1.00 20.00 C ATOM 984 C ALA A 54 -38.418 15.296 19.387 1.00 20.00 C ATOM 985 O ALA A 54 -39.152 16.184 19.821 1.00 20.00 O ATOM 986 CB ALA A 54 -37.428 13.810 21.138 1.00 20.00 C ATOM 0 H ALA A 54 -37.236 12.422 19.110 1.00 20.00 H new ATOM 0 HA ALA A 54 -39.429 13.709 20.392 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -37.657 14.572 21.883 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -37.486 12.824 21.599 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -36.422 13.971 20.751 1.00 20.00 H new ATOM 992 N LYS A 55 -37.585 15.480 18.370 1.00 20.00 N ATOM 993 CA LYS A 55 -37.470 16.770 17.700 1.00 20.00 C ATOM 994 C LYS A 55 -38.636 16.994 16.745 1.00 20.00 C ATOM 995 O LYS A 55 -39.223 18.074 16.713 1.00 20.00 O ATOM 996 CB LYS A 55 -36.147 16.868 16.930 1.00 20.00 C ATOM 997 CG LYS A 55 -34.904 16.814 17.809 1.00 20.00 C ATOM 998 CD LYS A 55 -33.631 16.775 16.978 1.00 20.00 C ATOM 999 CE LYS A 55 -33.440 18.054 16.170 1.00 20.00 C ATOM 1000 NZ LYS A 55 -32.247 17.979 15.285 1.00 20.00 N ATOM 0 H LYS A 55 -36.979 14.752 17.991 1.00 20.00 H new ATOM 0 HA LYS A 55 -37.491 17.543 18.468 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -36.101 16.055 16.205 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -36.138 17.800 16.365 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -34.884 17.684 18.465 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -34.948 15.933 18.449 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -32.773 16.629 17.635 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -33.665 15.920 16.302 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -34.329 18.238 15.566 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -33.335 18.900 16.849 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -32.153 18.868 14.753 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -31.395 17.829 15.863 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -32.358 17.188 14.619 1.00 20.00 H new ATOM 1014 N MET A 56 -38.978 15.967 15.977 1.00 20.00 N ATOM 1015 CA MET A 56 -40.028 16.081 14.963 1.00 20.00 C ATOM 1016 C MET A 56 -41.412 15.854 15.563 1.00 20.00 C ATOM 1017 O MET A 56 -42.424 15.948 14.869 1.00 20.00 O ATOM 1018 CB MET A 56 -39.782 15.082 13.827 1.00 20.00 C ATOM 1019 CG MET A 56 -39.909 13.630 14.251 1.00 20.00 C ATOM 1020 SD MET A 56 -39.477 12.473 12.937 1.00 20.00 S ATOM 1021 CE MET A 56 -40.684 12.903 11.685 1.00 20.00 C ATOM 0 H MET A 56 -38.546 15.045 16.034 1.00 20.00 H new ATOM 0 HA MET A 56 -39.994 17.095 14.565 1.00 20.00 H new ATOM 0 HB2 MET A 56 -40.490 15.279 13.022 1.00 20.00 H new ATOM 0 HB3 MET A 56 -38.784 15.246 13.421 1.00 20.00 H new ATOM 0 HG2 MET A 56 -39.265 13.451 15.112 1.00 20.00 H new ATOM 0 HG3 MET A 56 -40.933 13.439 14.574 1.00 20.00 H new ATOM 0 HE1 MET A 56 -40.724 12.116 10.932 1.00 20.00 H new ATOM 0 HE2 MET A 56 -41.665 13.013 12.148 1.00 20.00 H new ATOM 0 HE3 MET A 56 -40.399 13.843 11.212 1.00 20.00 H new ATOM 1031 N ARG A 57 -41.447 15.564 16.855 1.00 20.00 N ATOM 1032 CA ARG A 57 -42.695 15.278 17.553 1.00 20.00 C ATOM 1033 C ARG A 57 -43.541 16.541 17.697 1.00 20.00 C ATOM 1034 O ARG A 57 -44.749 16.524 17.453 1.00 20.00 O ATOM 1035 CB ARG A 57 -42.383 14.688 18.926 1.00 20.00 C ATOM 1036 CG ARG A 57 -43.591 14.187 19.693 1.00 20.00 C ATOM 1037 CD ARG A 57 -43.153 13.456 20.951 1.00 20.00 C ATOM 1038 NE ARG A 57 -42.213 14.257 21.729 1.00 20.00 N ATOM 1039 CZ ARG A 57 -41.281 13.754 22.538 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -41.171 12.443 22.712 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -40.450 14.568 23.170 1.00 20.00 N ATOM 0 H ARG A 57 -40.618 15.520 17.447 1.00 20.00 H new ATOM 0 HA ARG A 57 -43.268 14.557 16.970 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -41.682 13.863 18.800 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -41.879 15.446 19.525 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -44.235 15.025 19.958 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -44.179 13.520 19.063 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -44.026 13.221 21.560 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -42.689 12.508 20.680 1.00 20.00 H new ATOM 0 HE ARG A 57 -42.274 15.272 21.648 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -41.804 11.809 22.224 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -40.454 12.069 23.334 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -40.524 15.577 23.037 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -39.735 14.187 23.790 1.00 20.00 H new