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 Set 1.1: A 19 ASN : amide:sc= 1.79 K(o=2.1,f=-1.2) USER MOD Set 1.2: A 22 ASN : amide:sc= 0.267 K(o=2.1,f=0.084) USER MOD Single : A 17 GLN : amide:sc= -1.38! C(o=-1.4!,f=-6!) USER MOD Single : A 20 SER OG : rot 49:sc= 1.22 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0713 (180deg=-0.353) USER MOD Single : A 42 HIS : no HD1:sc= -0.049 X(o=-0.049,f=-0.051) USER MOD Single : A 49 MET CE :methyl -163:sc= -0.0978 (180deg=-0.524) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc=-0.00974 (180deg=-0.179) USER MOD Single : A 56 MET CE :methyl -107:sc= -0.23 (180deg=-1.86) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.683 -0.639 2.804 1.00 20.00 N ATOM 365 CA GLU A 16 -31.365 -1.755 1.932 1.00 20.00 C ATOM 366 C GLU A 16 -29.901 -1.717 1.510 1.00 20.00 C ATOM 367 O GLU A 16 -29.321 -2.742 1.157 1.00 20.00 O ATOM 368 CB GLU A 16 -32.272 -1.749 0.705 1.00 20.00 C ATOM 369 CG GLU A 16 -33.727 -2.043 1.027 1.00 20.00 C ATOM 370 CD GLU A 16 -33.898 -3.320 1.830 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.278 -4.344 1.470 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.668 -3.309 2.814 1.00 20.00 O ATOM 0 HA GLU A 16 -31.535 -2.677 2.487 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.205 -0.776 0.218 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.909 -2.488 -0.009 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.148 -1.207 1.586 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.292 -2.123 0.098 1.00 20.00 H new ATOM 379 N GLN A 17 -29.303 -0.531 1.568 1.00 20.00 N ATOM 380 CA GLN A 17 -27.885 -0.373 1.270 1.00 20.00 C ATOM 381 C GLN A 17 -27.046 -1.121 2.300 1.00 20.00 C ATOM 382 O GLN A 17 -25.994 -1.673 1.982 1.00 20.00 O ATOM 383 CB GLN A 17 -27.497 1.108 1.248 1.00 20.00 C ATOM 384 CG GLN A 17 -28.117 1.892 0.099 1.00 20.00 C ATOM 385 CD GLN A 17 -27.554 1.498 -1.255 1.00 20.00 C ATOM 386 OE1 GLN A 17 -27.137 0.360 -1.464 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.545 2.435 -2.189 1.00 20.00 N ATOM 0 H GLN A 17 -29.780 0.335 1.819 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.692 -0.793 0.283 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.797 1.566 2.191 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.412 1.188 1.186 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -29.196 1.735 0.098 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.950 2.957 0.260 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.899 3.368 -1.979 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.184 2.224 -3.119 1.00 20.00 H new ATOM 396 N GLU A 18 -27.537 -1.151 3.530 1.00 20.00 N ATOM 397 CA GLU A 18 -26.867 -1.861 4.609 1.00 20.00 C ATOM 398 C GLU A 18 -27.360 -3.300 4.659 1.00 20.00 C ATOM 399 O GLU A 18 -26.621 -4.216 5.015 1.00 20.00 O ATOM 400 CB GLU A 18 -27.137 -1.168 5.948 1.00 20.00 C ATOM 401 CG GLU A 18 -26.689 0.286 5.991 1.00 20.00 C ATOM 402 CD GLU A 18 -26.990 0.941 7.321 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.172 0.799 8.252 1.00 20.00 O ATOM 404 OE2 GLU A 18 -28.045 1.597 7.443 1.00 20.00 O ATOM 0 H GLU A 18 -28.403 -0.688 3.807 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.793 -1.855 4.424 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.205 -1.215 6.162 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.629 -1.718 6.740 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.618 0.340 5.796 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.186 0.841 5.195 1.00 20.00 H new ATOM 411 N ASN A 19 -28.617 -3.486 4.279 1.00 20.00 N ATOM 412 CA ASN A 19 -29.227 -4.813 4.229 1.00 20.00 C ATOM 413 C ASN A 19 -28.562 -5.659 3.146 1.00 20.00 C ATOM 414 O ASN A 19 -28.626 -6.888 3.171 1.00 20.00 O ATOM 415 CB ASN A 19 -30.732 -4.703 3.958 1.00 20.00 C ATOM 416 CG ASN A 19 -31.465 -6.016 4.163 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.065 -6.843 4.985 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.550 -6.215 3.428 1.00 20.00 N ATOM 0 H ASN A 19 -29.241 -2.729 3.998 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.081 -5.296 5.195 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.160 -3.947 4.616 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.888 -4.361 2.935 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.086 -7.077 3.532 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.849 -5.506 2.758 1.00 20.00 H new ATOM 425 N SER A 20 -27.906 -4.989 2.204 1.00 20.00 N ATOM 426 CA SER A 20 -27.155 -5.673 1.160 1.00 20.00 C ATOM 427 C SER A 20 -26.048 -6.536 1.768 1.00 20.00 C ATOM 428 O SER A 20 -25.669 -7.565 1.206 1.00 20.00 O ATOM 429 CB SER A 20 -26.561 -4.662 0.171 1.00 20.00 C ATOM 430 OG SER A 20 -27.580 -3.953 -0.524 1.00 20.00 O ATOM 0 H SER A 20 -27.880 -3.971 2.143 1.00 20.00 H new ATOM 0 HA SER A 20 -27.842 -6.324 0.619 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.926 -3.957 0.707 1.00 20.00 H new ATOM 0 HB3 SER A 20 -25.925 -5.182 -0.545 1.00 20.00 H new ATOM 0 HG SER A 20 -28.239 -3.614 0.118 1.00 20.00 H new ATOM 436 N TYR A 21 -25.552 -6.125 2.932 1.00 20.00 N ATOM 437 CA TYR A 21 -24.532 -6.888 3.637 1.00 20.00 C ATOM 438 C TYR A 21 -25.146 -8.132 4.266 1.00 20.00 C ATOM 439 O TYR A 21 -24.510 -9.181 4.342 1.00 20.00 O ATOM 440 CB TYR A 21 -23.861 -6.033 4.715 1.00 20.00 C ATOM 441 CG TYR A 21 -22.783 -6.768 5.482 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.528 -6.971 4.924 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.022 -7.269 6.758 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.543 -7.650 5.612 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.040 -7.948 7.452 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.802 -8.136 6.873 1.00 20.00 C ATOM 447 OH TYR A 21 -19.820 -8.815 7.557 1.00 20.00 O ATOM 0 H TYR A 21 -25.841 -5.269 3.405 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.773 -7.191 2.915 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.426 -5.149 4.248 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.620 -5.683 5.415 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.319 -6.591 3.935 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.991 -7.125 7.213 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.572 -7.799 5.162 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.240 -8.330 8.442 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.162 -9.091 8.433 1.00 20.00 H new ATOM 457 N ASN A 22 -26.393 -8.013 4.698 1.00 20.00 N ATOM 458 CA ASN A 22 -27.092 -9.120 5.340 1.00 20.00 C ATOM 459 C ASN A 22 -27.316 -10.249 4.353 1.00 20.00 C ATOM 460 O ASN A 22 -27.135 -11.420 4.682 1.00 20.00 O ATOM 461 CB ASN A 22 -28.431 -8.661 5.917 1.00 20.00 C ATOM 462 CG ASN A 22 -28.265 -7.660 7.039 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.282 -7.701 7.779 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.218 -6.751 7.169 1.00 20.00 N ATOM 0 H ASN A 22 -26.944 -7.159 4.616 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.468 -9.481 6.158 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.032 -8.216 5.124 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.980 -9.527 6.285 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.155 -6.048 7.905 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.016 -6.754 6.533 1.00 20.00 H new ATOM 471 N GLU A 23 -27.691 -9.891 3.134 1.00 20.00 N ATOM 472 CA GLU A 23 -27.923 -10.876 2.091 1.00 20.00 C ATOM 473 C GLU A 23 -26.604 -11.472 1.620 1.00 20.00 C ATOM 474 O GLU A 23 -26.539 -12.632 1.209 1.00 20.00 O ATOM 475 CB GLU A 23 -28.681 -10.245 0.925 1.00 20.00 C ATOM 476 CG GLU A 23 -30.070 -9.766 1.309 1.00 20.00 C ATOM 477 CD GLU A 23 -30.888 -10.855 1.967 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.459 -11.694 1.240 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.954 -10.890 3.215 1.00 20.00 O ATOM 0 H GLU A 23 -27.841 -8.925 2.844 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.533 -11.681 2.500 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.106 -9.403 0.539 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.764 -10.972 0.117 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.985 -8.917 1.988 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.589 -9.411 0.419 1.00 20.00 H new ATOM 486 N TRP A 24 -25.553 -10.668 1.697 1.00 20.00 N ATOM 487 CA TRP A 24 -24.210 -11.118 1.368 1.00 20.00 C ATOM 488 C TRP A 24 -23.716 -12.118 2.414 1.00 20.00 C ATOM 489 O TRP A 24 -23.134 -13.151 2.079 1.00 20.00 O ATOM 490 CB TRP A 24 -23.269 -9.909 1.284 1.00 20.00 C ATOM 491 CG TRP A 24 -21.837 -10.260 1.022 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.251 -10.447 -0.194 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.808 -10.457 2.000 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.921 -10.751 -0.033 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.626 -10.764 1.303 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.774 -10.405 3.395 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.422 -11.015 1.955 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.578 -10.656 4.041 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.418 -10.957 3.321 1.00 20.00 C ATOM 0 H TRP A 24 -25.607 -9.692 1.987 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.224 -11.620 0.400 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.619 -9.245 0.493 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.329 -9.351 2.218 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.758 -10.368 -1.144 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.260 -10.937 -0.787 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.666 -10.173 3.959 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.524 -11.247 1.402 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.539 -10.619 5.120 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.499 -11.148 3.855 1.00 20.00 H new ATOM 510 N LEU A 25 -23.970 -11.808 3.679 1.00 20.00 N ATOM 511 CA LEU A 25 -23.529 -12.647 4.785 1.00 20.00 C ATOM 512 C LEU A 25 -24.384 -13.907 4.882 1.00 20.00 C ATOM 513 O LEU A 25 -23.902 -14.967 5.284 1.00 20.00 O ATOM 514 CB LEU A 25 -23.598 -11.860 6.098 1.00 20.00 C ATOM 515 CG LEU A 25 -23.084 -12.597 7.337 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.599 -12.901 7.206 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.353 -11.783 8.593 1.00 20.00 C ATOM 0 H LEU A 25 -24.483 -10.975 3.966 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.497 -12.947 4.602 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.025 -10.940 5.980 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.634 -11.570 6.273 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.620 -13.543 7.418 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.255 -13.425 8.098 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.432 -13.527 6.330 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.045 -11.969 7.097 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.981 -12.323 9.463 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.846 -10.821 8.519 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.426 -11.621 8.698 1.00 20.00 H new ATOM 529 N ARG A 26 -25.649 -13.774 4.498 1.00 20.00 N ATOM 530 CA ARG A 26 -26.610 -14.873 4.557 1.00 20.00 C ATOM 531 C ARG A 26 -26.075 -16.125 3.870 1.00 20.00 C ATOM 532 O ARG A 26 -26.018 -17.197 4.472 1.00 20.00 O ATOM 533 CB ARG A 26 -27.925 -14.454 3.892 1.00 20.00 C ATOM 534 CG ARG A 26 -28.962 -15.562 3.847 1.00 20.00 C ATOM 535 CD ARG A 26 -30.112 -15.217 2.915 1.00 20.00 C ATOM 536 NE ARG A 26 -30.816 -14.001 3.321 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.093 -13.969 3.694 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.816 -15.079 3.729 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.659 -12.819 4.018 1.00 20.00 N ATOM 0 H ARG A 26 -26.038 -12.903 4.137 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.781 -15.106 5.608 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.339 -13.601 4.430 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.718 -14.119 2.875 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.491 -16.488 3.517 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.348 -15.741 4.851 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.729 -15.091 1.902 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.816 -16.049 2.888 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.296 -13.123 3.318 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.395 -15.971 3.468 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.794 -15.042 4.017 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.117 -11.956 3.982 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.638 -12.795 4.304 1.00 20.00 H new ATOM 553 N ALA A 27 -25.659 -15.971 2.619 1.00 20.00 N ATOM 554 CA ALA A 27 -25.220 -17.098 1.805 1.00 20.00 C ATOM 555 C ALA A 27 -23.857 -17.613 2.247 1.00 20.00 C ATOM 556 O ALA A 27 -23.401 -18.668 1.804 1.00 20.00 O ATOM 557 CB ALA A 27 -25.181 -16.696 0.342 1.00 20.00 C ATOM 0 H ALA A 27 -25.616 -15.070 2.143 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.937 -17.908 1.938 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.852 -17.543 -0.260 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.177 -16.389 0.022 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.486 -15.867 0.211 1.00 20.00 H new ATOM 563 N LYS A 28 -23.209 -16.867 3.123 1.00 20.00 N ATOM 564 CA LYS A 28 -21.889 -17.235 3.604 1.00 20.00 C ATOM 565 C LYS A 28 -21.986 -18.103 4.854 1.00 20.00 C ATOM 566 O LYS A 28 -21.314 -19.130 4.958 1.00 20.00 O ATOM 567 CB LYS A 28 -21.059 -15.981 3.892 1.00 20.00 C ATOM 568 CG LYS A 28 -19.696 -16.274 4.503 1.00 20.00 C ATOM 569 CD LYS A 28 -18.868 -15.009 4.659 1.00 20.00 C ATOM 570 CE LYS A 28 -18.401 -14.462 3.314 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.536 -15.429 2.587 1.00 20.00 N ATOM 0 H LYS A 28 -23.576 -16.001 3.517 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.393 -17.814 2.825 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.919 -15.428 2.963 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.618 -15.334 4.568 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.827 -16.746 5.477 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.160 -16.985 3.874 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.458 -14.251 5.174 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.001 -15.218 5.286 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.269 -14.220 2.700 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.853 -13.533 3.471 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.014 -14.932 1.837 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.862 -15.859 3.252 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.127 -16.173 2.163 1.00 20.00 H new ATOM 585 N VAL A 29 -22.834 -17.699 5.790 1.00 20.00 N ATOM 586 CA VAL A 29 -22.944 -18.392 7.066 1.00 20.00 C ATOM 587 C VAL A 29 -23.837 -19.632 6.962 1.00 20.00 C ATOM 588 O VAL A 29 -23.671 -20.591 7.722 1.00 20.00 O ATOM 589 CB VAL A 29 -23.469 -17.446 8.176 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.912 -17.031 7.921 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.324 -18.090 9.547 1.00 20.00 C ATOM 0 H VAL A 29 -23.455 -16.896 5.690 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.940 -18.720 7.336 1.00 20.00 H new ATOM 0 HB VAL A 29 -22.859 -16.543 8.155 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.246 -16.368 8.719 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.977 -16.510 6.966 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.546 -17.917 7.895 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.699 -17.408 10.311 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.896 -19.017 9.576 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.273 -18.306 9.738 1.00 20.00 H new ATOM 772 N HIS A 42 -37.558 -5.679 14.898 1.00 20.00 N ATOM 773 CA HIS A 42 -38.338 -4.454 14.982 1.00 20.00 C ATOM 774 C HIS A 42 -37.853 -3.581 16.137 1.00 20.00 C ATOM 775 O HIS A 42 -38.223 -2.418 16.243 1.00 20.00 O ATOM 776 CB HIS A 42 -39.827 -4.784 15.146 1.00 20.00 C ATOM 777 CG HIS A 42 -40.726 -3.586 15.081 1.00 20.00 C ATOM 778 ND1 HIS A 42 -41.408 -3.096 16.175 1.00 20.00 N ATOM 779 CD2 HIS A 42 -41.053 -2.777 14.046 1.00 20.00 C ATOM 780 CE1 HIS A 42 -42.115 -2.042 15.816 1.00 20.00 C ATOM 781 NE2 HIS A 42 -41.916 -1.828 14.530 1.00 20.00 N ATOM 0 HA HIS A 42 -38.204 -3.896 14.056 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -40.121 -5.489 14.368 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -39.975 -5.285 16.103 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -40.700 -2.863 13.029 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -42.748 -1.455 16.464 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -42.337 -1.077 13.983 1.00 20.00 H new ATOM 790 N ASP A 43 -37.014 -4.142 16.999 1.00 20.00 N ATOM 791 CA ASP A 43 -36.445 -3.373 18.103 1.00 20.00 C ATOM 792 C ASP A 43 -35.270 -2.533 17.628 1.00 20.00 C ATOM 793 O ASP A 43 -34.760 -1.687 18.363 1.00 20.00 O ATOM 794 CB ASP A 43 -35.992 -4.282 19.248 1.00 20.00 C ATOM 795 CG ASP A 43 -37.152 -4.861 20.026 1.00 20.00 C ATOM 796 OD1 ASP A 43 -37.815 -4.104 20.762 1.00 20.00 O ATOM 797 OD2 ASP A 43 -37.409 -6.078 19.909 1.00 20.00 O ATOM 0 H ASP A 43 -36.714 -5.116 16.958 1.00 20.00 H new ATOM 0 HA ASP A 43 -37.231 -2.716 18.474 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -35.389 -5.095 18.844 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -35.352 -3.716 19.925 1.00 20.00 H new ATOM 802 N GLU A 44 -34.846 -2.758 16.394 1.00 20.00 N ATOM 803 CA GLU A 44 -33.707 -2.036 15.848 1.00 20.00 C ATOM 804 C GLU A 44 -34.101 -0.619 15.456 1.00 20.00 C ATOM 805 O GLU A 44 -33.282 0.296 15.508 1.00 20.00 O ATOM 806 CB GLU A 44 -33.109 -2.779 14.656 1.00 20.00 C ATOM 807 CG GLU A 44 -32.536 -4.140 15.021 1.00 20.00 C ATOM 808 CD GLU A 44 -31.578 -4.073 16.192 1.00 20.00 C ATOM 809 OE1 GLU A 44 -30.453 -3.556 16.020 1.00 20.00 O ATOM 810 OE2 GLU A 44 -31.944 -4.527 17.296 1.00 20.00 O ATOM 0 H GLU A 44 -35.270 -3.430 15.755 1.00 20.00 H new ATOM 0 HA GLU A 44 -32.945 -1.975 16.625 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -33.878 -2.909 13.895 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -32.322 -2.168 14.213 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -33.352 -4.821 15.262 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -32.019 -4.556 14.156 1.00 20.00 H new ATOM 817 N VAL A 45 -35.363 -0.430 15.089 1.00 20.00 N ATOM 818 CA VAL A 45 -35.851 0.901 14.762 1.00 20.00 C ATOM 819 C VAL A 45 -35.902 1.763 16.023 1.00 20.00 C ATOM 820 O VAL A 45 -35.779 2.979 15.959 1.00 20.00 O ATOM 821 CB VAL A 45 -37.242 0.869 14.077 1.00 20.00 C ATOM 822 CG1 VAL A 45 -38.315 0.330 15.009 1.00 20.00 C ATOM 823 CG2 VAL A 45 -37.626 2.250 13.568 1.00 20.00 C ATOM 0 H VAL A 45 -36.058 -1.172 15.011 1.00 20.00 H new ATOM 0 HA VAL A 45 -35.153 1.337 14.048 1.00 20.00 H new ATOM 0 HB VAL A 45 -37.169 0.191 13.226 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -39.275 0.323 14.493 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -38.058 -0.685 15.311 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -38.382 0.965 15.892 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -38.605 2.203 13.091 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -37.662 2.949 14.404 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -36.886 2.589 12.843 1.00 20.00 H new ATOM 833 N GLU A 46 -36.041 1.112 17.174 1.00 20.00 N ATOM 834 CA GLU A 46 -36.103 1.812 18.450 1.00 20.00 C ATOM 835 C GLU A 46 -34.763 2.474 18.756 1.00 20.00 C ATOM 836 O GLU A 46 -34.700 3.662 19.090 1.00 20.00 O ATOM 837 CB GLU A 46 -36.481 0.835 19.571 1.00 20.00 C ATOM 838 CG GLU A 46 -36.732 1.502 20.911 1.00 20.00 C ATOM 839 CD GLU A 46 -37.905 2.452 20.873 1.00 20.00 C ATOM 840 OE1 GLU A 46 -39.044 1.984 20.665 1.00 20.00 O ATOM 841 OE2 GLU A 46 -37.697 3.671 21.047 1.00 20.00 O ATOM 0 H GLU A 46 -36.113 0.097 17.248 1.00 20.00 H new ATOM 0 HA GLU A 46 -36.867 2.586 18.387 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -37.376 0.288 19.276 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -35.682 0.102 19.685 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -36.913 0.737 21.666 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -35.838 2.046 21.216 1.00 20.00 H new ATOM 848 N ARG A 47 -33.690 1.708 18.617 1.00 20.00 N ATOM 849 CA ARG A 47 -32.350 2.209 18.893 1.00 20.00 C ATOM 850 C ARG A 47 -31.898 3.173 17.798 1.00 20.00 C ATOM 851 O ARG A 47 -31.212 4.160 18.074 1.00 20.00 O ATOM 852 CB ARG A 47 -31.358 1.045 19.030 1.00 20.00 C ATOM 853 CG ARG A 47 -31.286 0.154 17.801 1.00 20.00 C ATOM 854 CD ARG A 47 -30.320 -1.007 17.983 1.00 20.00 C ATOM 855 NE ARG A 47 -28.922 -0.577 18.001 1.00 20.00 N ATOM 856 CZ ARG A 47 -27.916 -1.323 17.544 1.00 20.00 C ATOM 857 NH1 ARG A 47 -28.158 -2.503 16.984 1.00 20.00 N ATOM 858 NH2 ARG A 47 -26.667 -0.887 17.633 1.00 20.00 N ATOM 0 H ARG A 47 -33.721 0.735 18.314 1.00 20.00 H new ATOM 0 HA ARG A 47 -32.376 2.753 19.837 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -30.366 1.447 19.234 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -31.640 0.439 19.891 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -32.280 -0.235 17.579 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -30.977 0.749 16.942 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -30.550 -1.523 18.915 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -30.465 -1.726 17.176 1.00 20.00 H new ATOM 0 HE ARG A 47 -28.705 0.343 18.384 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -29.117 -2.842 16.902 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -27.385 -3.070 16.636 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -26.473 0.022 18.052 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -25.900 -1.461 17.282 1.00 20.00 H new ATOM 872 N ARG A 48 -32.307 2.897 16.565 1.00 20.00 N ATOM 873 CA ARG A 48 -31.905 3.708 15.424 1.00 20.00 C ATOM 874 C ARG A 48 -32.657 5.040 15.410 1.00 20.00 C ATOM 875 O ARG A 48 -32.104 6.071 15.025 1.00 20.00 O ATOM 876 CB ARG A 48 -32.156 2.945 14.118 1.00 20.00 C ATOM 877 CG ARG A 48 -31.529 3.597 12.895 1.00 20.00 C ATOM 878 CD ARG A 48 -30.009 3.503 12.923 1.00 20.00 C ATOM 879 NE ARG A 48 -29.536 2.146 12.640 1.00 20.00 N ATOM 880 CZ ARG A 48 -28.437 1.607 13.172 1.00 20.00 C ATOM 881 NH1 ARG A 48 -27.764 2.244 14.120 1.00 20.00 N ATOM 882 NH2 ARG A 48 -28.028 0.409 12.774 1.00 20.00 N ATOM 0 H ARG A 48 -32.919 2.115 16.330 1.00 20.00 H new ATOM 0 HA ARG A 48 -30.839 3.918 15.513 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -31.765 1.933 14.219 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -33.231 2.857 13.960 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -31.907 3.116 11.993 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -31.828 4.644 12.847 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -29.590 4.193 12.190 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -29.645 3.817 13.901 1.00 20.00 H new ATOM 0 HE ARG A 48 -30.082 1.576 11.994 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -28.085 3.155 14.449 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -26.925 1.824 14.520 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -28.553 -0.099 12.062 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -27.188 -0.004 13.180 1.00 20.00 H new ATOM 896 N MET A 49 -33.913 5.018 15.846 1.00 20.00 N ATOM 897 CA MET A 49 -34.740 6.225 15.873 1.00 20.00 C ATOM 898 C MET A 49 -34.154 7.253 16.836 1.00 20.00 C ATOM 899 O MET A 49 -34.248 8.457 16.607 1.00 20.00 O ATOM 900 CB MET A 49 -36.176 5.886 16.285 1.00 20.00 C ATOM 901 CG MET A 49 -37.157 7.029 16.090 1.00 20.00 C ATOM 902 SD MET A 49 -38.805 6.652 16.720 1.00 20.00 S ATOM 903 CE MET A 49 -39.240 5.232 15.717 1.00 20.00 C ATOM 0 H MET A 49 -34.382 4.179 16.186 1.00 20.00 H new ATOM 0 HA MET A 49 -34.753 6.649 14.869 1.00 20.00 H new ATOM 0 HB2 MET A 49 -36.516 5.026 15.708 1.00 20.00 H new ATOM 0 HB3 MET A 49 -36.182 5.589 17.334 1.00 20.00 H new ATOM 0 HG2 MET A 49 -36.776 7.918 16.592 1.00 20.00 H new ATOM 0 HG3 MET A 49 -37.225 7.267 15.028 1.00 20.00 H new ATOM 0 HE1 MET A 49 -40.317 5.069 15.764 1.00 20.00 H new ATOM 0 HE2 MET A 49 -38.945 5.413 14.683 1.00 20.00 H new ATOM 0 HE3 MET A 49 -38.723 4.349 16.093 1.00 20.00 H new ATOM 913 N ALA A 50 -33.531 6.768 17.903 1.00 20.00 N ATOM 914 CA ALA A 50 -32.895 7.641 18.878 1.00 20.00 C ATOM 915 C ALA A 50 -31.749 8.413 18.240 1.00 20.00 C ATOM 916 O ALA A 50 -31.487 9.566 18.583 1.00 20.00 O ATOM 917 CB ALA A 50 -32.394 6.831 20.059 1.00 20.00 C ATOM 0 H ALA A 50 -33.453 5.773 18.114 1.00 20.00 H new ATOM 0 HA ALA A 50 -33.635 8.358 19.234 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -31.920 7.496 20.781 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -33.233 6.320 20.532 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -31.669 6.094 19.714 1.00 20.00 H new ATOM 923 N GLU A 51 -31.084 7.770 17.290 1.00 20.00 N ATOM 924 CA GLU A 51 -29.989 8.391 16.564 1.00 20.00 C ATOM 925 C GLU A 51 -30.523 9.438 15.599 1.00 20.00 C ATOM 926 O GLU A 51 -29.851 10.425 15.309 1.00 20.00 O ATOM 927 CB GLU A 51 -29.187 7.339 15.802 1.00 20.00 C ATOM 928 CG GLU A 51 -28.504 6.324 16.700 1.00 20.00 C ATOM 929 CD GLU A 51 -27.807 5.237 15.914 1.00 20.00 C ATOM 930 OE1 GLU A 51 -26.642 5.436 15.507 1.00 20.00 O ATOM 931 OE2 GLU A 51 -28.424 4.179 15.701 1.00 20.00 O ATOM 0 H GLU A 51 -31.287 6.812 17.004 1.00 20.00 H new ATOM 0 HA GLU A 51 -29.331 8.877 17.284 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -29.852 6.815 15.116 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -28.433 7.839 15.195 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -27.778 6.834 17.333 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -29.243 5.873 17.362 1.00 20.00 H new ATOM 938 N ARG A 52 -31.742 9.220 15.117 1.00 20.00 N ATOM 939 CA ARG A 52 -32.398 10.170 14.230 1.00 20.00 C ATOM 940 C ARG A 52 -32.630 11.488 14.963 1.00 20.00 C ATOM 941 O ARG A 52 -32.425 12.566 14.409 1.00 20.00 O ATOM 942 CB ARG A 52 -33.735 9.609 13.737 1.00 20.00 C ATOM 943 CG ARG A 52 -34.330 10.376 12.569 1.00 20.00 C ATOM 944 CD ARG A 52 -35.793 10.026 12.361 1.00 20.00 C ATOM 945 NE ARG A 52 -36.645 10.630 13.386 1.00 20.00 N ATOM 946 CZ ARG A 52 -37.852 10.176 13.725 1.00 20.00 C ATOM 947 NH1 ARG A 52 -38.334 9.071 13.170 1.00 20.00 N ATOM 948 NH2 ARG A 52 -38.572 10.828 14.630 1.00 20.00 N ATOM 0 H ARG A 52 -32.296 8.390 15.328 1.00 20.00 H new ATOM 0 HA ARG A 52 -31.753 10.344 13.368 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -33.595 8.569 13.443 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -34.447 9.614 14.563 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -34.233 11.447 12.748 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -33.769 10.152 11.662 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -36.112 10.366 11.376 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -35.914 8.943 12.379 1.00 20.00 H new ATOM 0 HE ARG A 52 -36.292 11.453 13.874 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -37.780 8.564 12.480 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -39.258 8.729 13.434 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.201 11.674 15.064 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -39.496 10.483 14.892 1.00 20.00 H new ATOM 962 N PHE A 53 -33.043 11.383 16.222 1.00 20.00 N ATOM 963 CA PHE A 53 -33.239 12.556 17.065 1.00 20.00 C ATOM 964 C PHE A 53 -31.904 13.205 17.403 1.00 20.00 C ATOM 965 O PHE A 53 -31.808 14.425 17.537 1.00 20.00 O ATOM 966 CB PHE A 53 -33.974 12.179 18.354 1.00 20.00 C ATOM 967 CG PHE A 53 -35.438 11.893 18.165 1.00 20.00 C ATOM 968 CD1 PHE A 53 -36.333 12.923 17.910 1.00 20.00 C ATOM 969 CD2 PHE A 53 -35.923 10.597 18.248 1.00 20.00 C ATOM 970 CE1 PHE A 53 -37.679 12.665 17.740 1.00 20.00 C ATOM 971 CE2 PHE A 53 -37.269 10.334 18.078 1.00 20.00 C ATOM 972 CZ PHE A 53 -38.148 11.369 17.824 1.00 20.00 C ATOM 0 H PHE A 53 -33.249 10.496 16.681 1.00 20.00 H new ATOM 0 HA PHE A 53 -33.847 13.270 16.510 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -33.496 11.301 18.788 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -33.863 12.990 19.073 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -35.972 13.939 17.844 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -35.241 9.784 18.448 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -38.364 13.476 17.542 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -37.634 9.320 18.144 1.00 20.00 H new ATOM 0 HZ PHE A 53 -39.200 11.165 17.691 1.00 20.00 H new ATOM 982 N ALA A 54 -30.869 12.383 17.522 1.00 20.00 N ATOM 983 CA ALA A 54 -29.535 12.868 17.843 1.00 20.00 C ATOM 984 C ALA A 54 -28.910 13.592 16.654 1.00 20.00 C ATOM 985 O ALA A 54 -27.912 14.294 16.798 1.00 20.00 O ATOM 986 CB ALA A 54 -28.650 11.718 18.293 1.00 20.00 C ATOM 0 H ALA A 54 -30.930 11.372 17.400 1.00 20.00 H new ATOM 0 HA ALA A 54 -29.623 13.584 18.661 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -27.655 12.095 18.530 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -29.082 11.252 19.179 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -28.577 10.980 17.494 1.00 20.00 H new ATOM 992 N LYS A 55 -29.496 13.419 15.476 1.00 20.00 N ATOM 993 CA LYS A 55 -29.050 14.137 14.287 1.00 20.00 C ATOM 994 C LYS A 55 -29.355 15.622 14.422 1.00 20.00 C ATOM 995 O LYS A 55 -28.678 16.464 13.833 1.00 20.00 O ATOM 996 CB LYS A 55 -29.729 13.587 13.029 1.00 20.00 C ATOM 997 CG LYS A 55 -29.352 12.152 12.696 1.00 20.00 C ATOM 998 CD LYS A 55 -30.141 11.640 11.505 1.00 20.00 C ATOM 999 CE LYS A 55 -29.723 10.229 11.120 1.00 20.00 C ATOM 1000 NZ LYS A 55 -28.321 10.180 10.629 1.00 20.00 N ATOM 0 H LYS A 55 -30.281 12.788 15.318 1.00 20.00 H new ATOM 0 HA LYS A 55 -27.973 13.996 14.194 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -30.810 13.647 13.157 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -29.472 14.224 12.183 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -28.285 12.094 12.481 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -29.538 11.514 13.560 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -31.205 11.653 11.740 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -29.994 12.308 10.656 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -29.829 9.571 11.983 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -30.392 9.851 10.347 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -28.144 9.261 10.175 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -28.168 10.943 9.939 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -27.668 10.302 11.430 1.00 20.00 H new ATOM 1014 N MET A 56 -30.364 15.933 15.230 1.00 20.00 N ATOM 1015 CA MET A 56 -30.792 17.312 15.446 1.00 20.00 C ATOM 1016 C MET A 56 -29.847 18.024 16.408 1.00 20.00 C ATOM 1017 O MET A 56 -30.024 19.201 16.716 1.00 20.00 O ATOM 1018 CB MET A 56 -32.217 17.350 16.005 1.00 20.00 C ATOM 1019 CG MET A 56 -33.274 16.703 15.116 1.00 20.00 C ATOM 1020 SD MET A 56 -33.480 17.528 13.521 1.00 20.00 S ATOM 1021 CE MET A 56 -32.285 16.656 12.509 1.00 20.00 C ATOM 0 H MET A 56 -30.905 15.242 15.750 1.00 20.00 H new ATOM 0 HA MET A 56 -30.772 17.825 14.485 1.00 20.00 H new ATOM 0 HB2 MET A 56 -32.225 16.852 16.975 1.00 20.00 H new ATOM 0 HB3 MET A 56 -32.496 18.389 16.178 1.00 20.00 H new ATOM 0 HG2 MET A 56 -33.004 15.661 14.945 1.00 20.00 H new ATOM 0 HG3 MET A 56 -34.229 16.703 15.642 1.00 20.00 H new ATOM 0 HE1 MET A 56 -31.429 17.303 12.317 1.00 20.00 H new ATOM 0 HE2 MET A 56 -31.952 15.759 13.031 1.00 20.00 H new ATOM 0 HE3 MET A 56 -32.746 16.375 11.562 1.00 20.00 H new ATOM 1031 N ARG A 57 -28.849 17.299 16.886 1.00 20.00 N ATOM 1032 CA ARG A 57 -27.860 17.858 17.797 1.00 20.00 C ATOM 1033 C ARG A 57 -26.823 18.661 17.022 1.00 20.00 C ATOM 1034 O ARG A 57 -26.179 19.558 17.566 1.00 20.00 O ATOM 1035 CB ARG A 57 -27.173 16.734 18.577 1.00 20.00 C ATOM 1036 CG ARG A 57 -26.141 17.215 19.584 1.00 20.00 C ATOM 1037 CD ARG A 57 -25.387 16.049 20.201 1.00 20.00 C ATOM 1038 NE ARG A 57 -26.280 15.112 20.880 1.00 20.00 N ATOM 1039 CZ ARG A 57 -26.062 13.800 20.964 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -24.990 13.261 20.392 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -26.920 13.025 21.614 1.00 20.00 N ATOM 0 H ARG A 57 -28.701 16.316 16.657 1.00 20.00 H new ATOM 0 HA ARG A 57 -28.366 18.522 18.499 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -27.933 16.154 19.101 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -26.688 16.060 17.870 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -25.437 17.887 19.094 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -26.635 17.788 20.369 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -24.835 15.523 19.422 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -24.653 16.428 20.912 1.00 20.00 H new ATOM 0 HE ARG A 57 -27.123 15.486 21.317 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -24.330 13.852 19.886 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -24.827 12.256 20.459 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -27.747 13.433 22.050 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -26.753 12.021 21.678 1.00 20.00 H new