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 Single : A 17 GLN : amide:sc= 0.194 X(o=0.19,f=-0.088) USER MOD Single : A 19 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.5!) USER MOD Single : A 20 SER OG : rot 71:sc= 0.409 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.04 X(o=-1,f=-0.55) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0211) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.022) 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 -161:sc= -0.0795 (180deg=-0.524) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.625 0.697 1.759 1.00 20.00 N ATOM 365 CA GLU A 16 -30.734 -0.736 1.519 1.00 20.00 C ATOM 366 C GLU A 16 -29.369 -1.413 1.441 1.00 20.00 C ATOM 367 O GLU A 16 -29.288 -2.639 1.362 1.00 20.00 O ATOM 368 CB GLU A 16 -31.531 -1.002 0.245 1.00 20.00 C ATOM 369 CG GLU A 16 -33.008 -0.668 0.383 1.00 20.00 C ATOM 370 CD GLU A 16 -33.776 -0.852 -0.906 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.231 -1.983 -1.175 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.951 0.142 -1.647 1.00 20.00 O ATOM 0 HA GLU A 16 -31.262 -1.167 2.370 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.107 -0.416 -0.570 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.426 -2.052 -0.029 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.447 -1.300 1.155 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.112 0.364 0.718 1.00 20.00 H new ATOM 379 N GLN A 17 -28.306 -0.617 1.443 1.00 20.00 N ATOM 380 CA GLN A 17 -26.946 -1.147 1.390 1.00 20.00 C ATOM 381 C GLN A 17 -26.707 -2.161 2.513 1.00 20.00 C ATOM 382 O GLN A 17 -26.181 -3.248 2.271 1.00 20.00 O ATOM 383 CB GLN A 17 -25.918 -0.012 1.470 1.00 20.00 C ATOM 384 CG GLN A 17 -24.474 -0.486 1.344 1.00 20.00 C ATOM 385 CD GLN A 17 -24.196 -1.199 0.032 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.823 -0.576 -0.961 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.367 -2.513 0.018 1.00 20.00 N ATOM 0 H GLN A 17 -28.359 0.401 1.481 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.824 -1.659 0.436 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.125 0.710 0.680 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.039 0.510 2.419 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.807 0.371 1.434 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.244 -1.157 2.172 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.678 -2.996 0.861 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.188 -3.042 -0.836 1.00 20.00 H new ATOM 396 N GLU A 18 -27.114 -1.816 3.730 1.00 20.00 N ATOM 397 CA GLU A 18 -26.962 -2.720 4.866 1.00 20.00 C ATOM 398 C GLU A 18 -27.904 -3.915 4.733 1.00 20.00 C ATOM 399 O GLU A 18 -27.608 -5.012 5.212 1.00 20.00 O ATOM 400 CB GLU A 18 -27.222 -2.001 6.200 1.00 20.00 C ATOM 401 CG GLU A 18 -26.154 -0.985 6.600 1.00 20.00 C ATOM 402 CD GLU A 18 -26.222 0.302 5.806 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.575 0.390 4.743 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.917 1.236 6.252 1.00 20.00 O ATOM 0 H GLU A 18 -27.550 -0.922 3.955 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.931 -3.073 4.863 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.184 -1.491 6.140 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.306 -2.748 6.989 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.260 -0.755 7.660 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.169 -1.433 6.468 1.00 20.00 H new ATOM 411 N ASN A 19 -29.028 -3.702 4.061 1.00 20.00 N ATOM 412 CA ASN A 19 -30.002 -4.768 3.843 1.00 20.00 C ATOM 413 C ASN A 19 -29.419 -5.801 2.890 1.00 20.00 C ATOM 414 O ASN A 19 -29.662 -6.999 3.021 1.00 20.00 O ATOM 415 CB ASN A 19 -31.315 -4.215 3.274 1.00 20.00 C ATOM 416 CG ASN A 19 -31.955 -3.148 4.147 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.619 -2.242 3.644 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.768 -3.243 5.455 1.00 20.00 N ATOM 0 H ASN A 19 -29.289 -2.802 3.657 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.222 -5.234 4.803 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.125 -3.798 2.285 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -32.019 -5.037 3.144 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.181 -2.551 6.081 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.211 -4.008 5.836 1.00 20.00 H new ATOM 425 N SER A 20 -28.626 -5.326 1.940 1.00 20.00 N ATOM 426 CA SER A 20 -27.969 -6.202 0.984 1.00 20.00 C ATOM 427 C SER A 20 -26.733 -6.845 1.611 1.00 20.00 C ATOM 428 O SER A 20 -26.271 -7.900 1.170 1.00 20.00 O ATOM 429 CB SER A 20 -27.582 -5.407 -0.265 1.00 20.00 C ATOM 430 OG SER A 20 -28.697 -4.690 -0.773 1.00 20.00 O ATOM 0 H SER A 20 -28.422 -4.335 1.812 1.00 20.00 H new ATOM 0 HA SER A 20 -28.659 -6.996 0.699 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.777 -4.713 -0.024 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.201 -6.085 -1.029 1.00 20.00 H new ATOM 0 HG SER A 20 -28.919 -3.956 -0.163 1.00 20.00 H new ATOM 436 N TYR A 21 -26.218 -6.211 2.659 1.00 20.00 N ATOM 437 CA TYR A 21 -25.012 -6.680 3.325 1.00 20.00 C ATOM 438 C TYR A 21 -25.300 -7.923 4.165 1.00 20.00 C ATOM 439 O TYR A 21 -24.554 -8.901 4.109 1.00 20.00 O ATOM 440 CB TYR A 21 -24.418 -5.572 4.202 1.00 20.00 C ATOM 441 CG TYR A 21 -23.135 -5.970 4.901 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.929 -6.005 4.213 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.130 -6.314 6.248 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.756 -6.372 4.845 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.962 -6.680 6.886 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.778 -6.708 6.181 1.00 20.00 C ATOM 447 OH TYR A 21 -19.613 -7.077 6.813 1.00 20.00 O ATOM 0 H TYR A 21 -26.621 -5.367 3.066 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.285 -6.947 2.558 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.227 -4.695 3.584 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.154 -5.280 4.951 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.907 -5.741 3.166 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.055 -6.295 6.804 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.827 -6.395 4.295 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.976 -6.943 7.933 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.801 -7.281 7.753 1.00 20.00 H new ATOM 457 N ASN A 22 -26.383 -7.893 4.937 1.00 20.00 N ATOM 458 CA ASN A 22 -26.724 -9.030 5.786 1.00 20.00 C ATOM 459 C ASN A 22 -27.156 -10.218 4.932 1.00 20.00 C ATOM 460 O ASN A 22 -26.939 -11.371 5.304 1.00 20.00 O ATOM 461 CB ASN A 22 -27.811 -8.672 6.813 1.00 20.00 C ATOM 462 CG ASN A 22 -29.171 -8.418 6.194 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.937 -9.347 5.953 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.497 -7.157 5.961 1.00 20.00 N ATOM 0 H ASN A 22 -27.030 -7.107 4.992 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.830 -9.306 6.346 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.896 -9.483 7.537 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.500 -7.784 7.364 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.411 -6.931 5.568 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.835 -6.411 6.174 1.00 20.00 H new ATOM 471 N GLU A 23 -27.748 -9.931 3.776 1.00 20.00 N ATOM 472 CA GLU A 23 -28.112 -10.975 2.827 1.00 20.00 C ATOM 473 C GLU A 23 -26.849 -11.640 2.278 1.00 20.00 C ATOM 474 O GLU A 23 -26.804 -12.854 2.076 1.00 20.00 O ATOM 475 CB GLU A 23 -28.949 -10.397 1.684 1.00 20.00 C ATOM 476 CG GLU A 23 -29.435 -11.448 0.696 1.00 20.00 C ATOM 477 CD GLU A 23 -30.246 -10.854 -0.433 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.459 -10.634 -0.246 1.00 20.00 O ATOM 479 OE2 GLU A 23 -29.676 -10.597 -1.514 1.00 20.00 O ATOM 0 H GLU A 23 -27.985 -8.985 3.476 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.712 -11.724 3.343 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.811 -9.877 2.102 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.357 -9.654 1.150 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.576 -11.977 0.282 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.040 -12.185 1.224 1.00 20.00 H new ATOM 486 N TRP A 24 -25.822 -10.828 2.057 1.00 20.00 N ATOM 487 CA TRP A 24 -24.530 -11.323 1.601 1.00 20.00 C ATOM 488 C TRP A 24 -23.907 -12.228 2.662 1.00 20.00 C ATOM 489 O TRP A 24 -23.331 -13.268 2.343 1.00 20.00 O ATOM 490 CB TRP A 24 -23.602 -10.147 1.275 1.00 20.00 C ATOM 491 CG TRP A 24 -22.205 -10.556 0.927 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.819 -11.368 -0.099 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.008 -10.161 1.600 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.454 -11.512 -0.095 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.933 -10.777 0.936 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.741 -9.347 2.705 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.614 -10.605 1.338 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.430 -9.176 3.102 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.382 -9.802 2.420 1.00 20.00 C ATOM 0 H TRP A 24 -25.861 -9.817 2.188 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.674 -11.910 0.694 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.024 -9.584 0.442 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.570 -9.473 2.131 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.489 -11.829 -0.810 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.915 -12.075 -0.753 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.545 -8.861 3.238 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.802 -11.088 0.815 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.210 -8.549 3.953 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.367 -9.648 2.755 1.00 20.00 H new ATOM 510 N LEU A 25 -24.050 -11.839 3.924 1.00 20.00 N ATOM 511 CA LEU A 25 -23.549 -12.643 5.031 1.00 20.00 C ATOM 512 C LEU A 25 -24.289 -13.974 5.090 1.00 20.00 C ATOM 513 O LEU A 25 -23.697 -15.019 5.358 1.00 20.00 O ATOM 514 CB LEU A 25 -23.702 -11.890 6.355 1.00 20.00 C ATOM 515 CG LEU A 25 -22.924 -10.574 6.456 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.167 -9.914 7.804 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.435 -10.805 6.239 1.00 20.00 C ATOM 0 H LEU A 25 -24.509 -10.972 4.205 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.489 -12.837 4.867 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.760 -11.680 6.514 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.382 -12.545 7.165 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.283 -9.907 5.672 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.607 -8.981 7.858 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.231 -9.706 7.921 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.838 -10.581 8.600 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.905 -9.856 6.316 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.059 -11.493 6.997 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.273 -11.232 5.249 1.00 20.00 H new ATOM 529 N ARG A 26 -25.586 -13.922 4.815 1.00 20.00 N ATOM 530 CA ARG A 26 -26.417 -15.118 4.743 1.00 20.00 C ATOM 531 C ARG A 26 -25.887 -16.083 3.681 1.00 20.00 C ATOM 532 O ARG A 26 -25.802 -17.291 3.914 1.00 20.00 O ATOM 533 CB ARG A 26 -27.873 -14.710 4.455 1.00 20.00 C ATOM 534 CG ARG A 26 -28.801 -15.845 4.039 1.00 20.00 C ATOM 535 CD ARG A 26 -28.884 -15.978 2.522 1.00 20.00 C ATOM 536 NE ARG A 26 -29.844 -16.997 2.106 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.000 -17.405 0.846 1.00 20.00 C ATOM 538 NH1 ARG A 26 -29.244 -16.894 -0.123 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.920 -18.316 0.555 1.00 20.00 N ATOM 0 H ARG A 26 -26.090 -13.054 4.636 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.383 -15.640 5.699 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.283 -14.237 5.347 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.872 -13.957 3.667 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.445 -16.782 4.468 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.797 -15.668 4.444 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.167 -15.018 2.090 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -27.899 -16.227 2.127 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.431 -17.423 2.823 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.542 -16.187 0.097 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -29.367 -17.209 -1.085 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.506 -18.703 1.294 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.041 -18.629 -0.408 1.00 20.00 H new ATOM 553 N ALA A 27 -25.514 -15.537 2.529 1.00 20.00 N ATOM 554 CA ALA A 27 -24.987 -16.338 1.431 1.00 20.00 C ATOM 555 C ALA A 27 -23.629 -16.930 1.788 1.00 20.00 C ATOM 556 O ALA A 27 -23.277 -18.024 1.342 1.00 20.00 O ATOM 557 CB ALA A 27 -24.879 -15.499 0.170 1.00 20.00 C ATOM 0 H ALA A 27 -25.567 -14.538 2.331 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.679 -17.160 1.250 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.484 -16.111 -0.641 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.866 -15.126 -0.104 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.210 -14.658 0.349 1.00 20.00 H new ATOM 563 N LYS A 28 -22.870 -16.195 2.591 1.00 20.00 N ATOM 564 CA LYS A 28 -21.560 -16.649 3.040 1.00 20.00 C ATOM 565 C LYS A 28 -21.692 -17.832 3.989 1.00 20.00 C ATOM 566 O LYS A 28 -20.986 -18.831 3.851 1.00 20.00 O ATOM 567 CB LYS A 28 -20.799 -15.518 3.738 1.00 20.00 C ATOM 568 CG LYS A 28 -20.304 -14.424 2.800 1.00 20.00 C ATOM 569 CD LYS A 28 -19.745 -13.236 3.572 1.00 20.00 C ATOM 570 CE LYS A 28 -18.626 -13.640 4.529 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.461 -14.225 3.816 1.00 20.00 N ATOM 0 H LYS A 28 -23.141 -15.278 2.946 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.001 -16.961 2.158 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.448 -15.069 4.490 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.945 -15.942 4.266 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.533 -14.828 2.144 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.123 -14.092 2.163 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.368 -12.494 2.869 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.548 -12.762 4.136 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.302 -12.767 5.096 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.009 -14.363 5.249 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.700 -14.422 4.497 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.747 -15.110 3.351 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.119 -13.553 3.100 1.00 20.00 H new ATOM 585 N VAL A 29 -22.607 -17.719 4.945 1.00 20.00 N ATOM 586 CA VAL A 29 -22.790 -18.752 5.953 1.00 20.00 C ATOM 587 C VAL A 29 -23.383 -20.026 5.352 1.00 20.00 C ATOM 588 O VAL A 29 -22.706 -21.055 5.272 1.00 20.00 O ATOM 589 CB VAL A 29 -23.674 -18.260 7.122 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.914 -19.378 8.126 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.035 -17.060 7.804 1.00 20.00 C ATOM 0 H VAL A 29 -23.234 -16.920 5.042 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.799 -18.983 6.345 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.638 -17.955 6.715 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.538 -19.009 8.940 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.417 -20.209 7.632 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.959 -19.718 8.527 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.671 -16.727 8.624 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.057 -17.341 8.194 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.919 -16.251 7.083 1.00 20.00 H new ATOM 772 N HIS A 42 -39.462 -26.975 -9.672 1.00 20.00 N ATOM 773 CA HIS A 42 -40.481 -25.951 -9.904 1.00 20.00 C ATOM 774 C HIS A 42 -40.918 -25.973 -11.366 1.00 20.00 C ATOM 775 O HIS A 42 -41.718 -25.146 -11.807 1.00 20.00 O ATOM 776 CB HIS A 42 -39.970 -24.551 -9.521 1.00 20.00 C ATOM 777 CG HIS A 42 -38.768 -24.092 -10.297 1.00 20.00 C ATOM 778 ND1 HIS A 42 -38.858 -23.336 -11.446 1.00 20.00 N ATOM 779 CD2 HIS A 42 -37.443 -24.281 -10.080 1.00 20.00 C ATOM 780 CE1 HIS A 42 -37.645 -23.085 -11.903 1.00 20.00 C ATOM 781 NE2 HIS A 42 -36.769 -23.646 -11.093 1.00 20.00 N ATOM 0 HA HIS A 42 -41.337 -26.177 -9.269 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -40.776 -23.832 -9.666 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -39.725 -24.546 -8.459 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -37.000 -24.829 -9.262 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -37.410 -22.516 -12.790 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -35.755 -23.613 -11.202 1.00 20.00 H new ATOM 790 N ASP A 43 -40.351 -26.921 -12.105 1.00 20.00 N ATOM 791 CA ASP A 43 -40.536 -27.036 -13.553 1.00 20.00 C ATOM 792 C ASP A 43 -42.010 -27.020 -13.970 1.00 20.00 C ATOM 793 O ASP A 43 -42.379 -26.317 -14.914 1.00 20.00 O ATOM 794 CB ASP A 43 -39.860 -28.316 -14.057 1.00 20.00 C ATOM 795 CG ASP A 43 -39.980 -28.502 -15.557 1.00 20.00 C ATOM 796 OD1 ASP A 43 -40.988 -29.079 -16.009 1.00 20.00 O ATOM 797 OD2 ASP A 43 -39.051 -28.096 -16.289 1.00 20.00 O ATOM 0 H ASP A 43 -39.743 -27.640 -11.714 1.00 20.00 H new ATOM 0 HA ASP A 43 -40.073 -26.161 -14.008 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -38.805 -28.295 -13.783 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -40.303 -29.176 -13.554 1.00 20.00 H new ATOM 802 N GLU A 44 -42.853 -27.772 -13.271 1.00 20.00 N ATOM 803 CA GLU A 44 -44.261 -27.860 -13.646 1.00 20.00 C ATOM 804 C GLU A 44 -45.061 -26.737 -12.991 1.00 20.00 C ATOM 805 O GLU A 44 -46.125 -26.357 -13.479 1.00 20.00 O ATOM 806 CB GLU A 44 -44.862 -29.232 -13.296 1.00 20.00 C ATOM 807 CG GLU A 44 -45.114 -29.465 -11.812 1.00 20.00 C ATOM 808 CD GLU A 44 -43.840 -29.552 -11.004 1.00 20.00 C ATOM 809 OE1 GLU A 44 -43.308 -28.495 -10.611 1.00 20.00 O ATOM 810 OE2 GLU A 44 -43.370 -30.679 -10.757 1.00 20.00 O ATOM 0 H GLU A 44 -42.592 -28.323 -12.453 1.00 20.00 H new ATOM 0 HA GLU A 44 -44.320 -27.746 -14.728 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -45.805 -29.346 -13.831 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -44.191 -30.010 -13.662 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -45.731 -28.655 -11.422 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -45.682 -30.387 -11.686 1.00 20.00 H new ATOM 817 N VAL A 45 -44.539 -26.204 -11.892 1.00 20.00 N ATOM 818 CA VAL A 45 -45.132 -25.033 -11.259 1.00 20.00 C ATOM 819 C VAL A 45 -45.088 -23.857 -12.225 1.00 20.00 C ATOM 820 O VAL A 45 -46.022 -23.060 -12.303 1.00 20.00 O ATOM 821 CB VAL A 45 -44.407 -24.661 -9.948 1.00 20.00 C ATOM 822 CG1 VAL A 45 -44.981 -23.388 -9.346 1.00 20.00 C ATOM 823 CG2 VAL A 45 -44.493 -25.805 -8.952 1.00 20.00 C ATOM 0 H VAL A 45 -43.708 -26.564 -11.422 1.00 20.00 H new ATOM 0 HA VAL A 45 -46.165 -25.272 -11.008 1.00 20.00 H new ATOM 0 HB VAL A 45 -43.358 -24.479 -10.183 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -44.451 -23.151 -8.424 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -44.865 -22.567 -10.053 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -46.039 -23.533 -9.129 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -43.977 -25.527 -8.033 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -45.539 -26.017 -8.731 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -44.025 -26.693 -9.377 1.00 20.00 H new ATOM 833 N GLU A 46 -43.999 -23.786 -12.982 1.00 20.00 N ATOM 834 CA GLU A 46 -43.844 -22.792 -14.038 1.00 20.00 C ATOM 835 C GLU A 46 -44.992 -22.902 -15.042 1.00 20.00 C ATOM 836 O GLU A 46 -45.510 -21.897 -15.531 1.00 20.00 O ATOM 837 CB GLU A 46 -42.504 -22.993 -14.756 1.00 20.00 C ATOM 838 CG GLU A 46 -42.197 -21.931 -15.801 1.00 20.00 C ATOM 839 CD GLU A 46 -41.841 -20.593 -15.190 1.00 20.00 C ATOM 840 OE1 GLU A 46 -42.759 -19.798 -14.894 1.00 20.00 O ATOM 841 OE2 GLU A 46 -40.635 -20.322 -15.015 1.00 20.00 O ATOM 0 H GLU A 46 -43.201 -24.413 -12.882 1.00 20.00 H new ATOM 0 HA GLU A 46 -43.863 -21.799 -13.588 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -41.704 -23.001 -14.015 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -42.504 -23.971 -15.236 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -41.371 -22.271 -16.426 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -43.062 -21.809 -16.453 1.00 20.00 H new ATOM 848 N ARG A 47 -45.396 -24.132 -15.324 1.00 20.00 N ATOM 849 CA ARG A 47 -46.480 -24.386 -16.262 1.00 20.00 C ATOM 850 C ARG A 47 -47.817 -24.041 -15.618 1.00 20.00 C ATOM 851 O ARG A 47 -48.706 -23.491 -16.265 1.00 20.00 O ATOM 852 CB ARG A 47 -46.468 -25.849 -16.709 1.00 20.00 C ATOM 853 CG ARG A 47 -45.122 -26.311 -17.247 1.00 20.00 C ATOM 854 CD ARG A 47 -44.667 -25.479 -18.437 1.00 20.00 C ATOM 855 NE ARG A 47 -43.340 -25.876 -18.899 1.00 20.00 N ATOM 856 CZ ARG A 47 -42.673 -25.259 -19.871 1.00 20.00 C ATOM 857 NH1 ARG A 47 -43.220 -24.238 -20.516 1.00 20.00 N ATOM 858 NH2 ARG A 47 -41.457 -25.668 -20.200 1.00 20.00 N ATOM 0 H ARG A 47 -44.988 -24.973 -14.915 1.00 20.00 H new ATOM 0 HA ARG A 47 -46.338 -23.756 -17.140 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -46.749 -26.480 -15.866 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -47.226 -25.991 -17.479 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -44.375 -26.250 -16.455 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -45.190 -27.358 -17.542 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -45.383 -25.587 -19.252 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -44.656 -24.425 -18.161 1.00 20.00 H new ATOM 0 HE ARG A 47 -42.897 -26.676 -18.448 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -44.157 -23.921 -20.268 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -42.703 -23.769 -21.260 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -41.033 -26.455 -19.708 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -40.944 -25.196 -20.945 1.00 20.00 H new ATOM 872 N ARG A 48 -47.942 -24.357 -14.332 1.00 20.00 N ATOM 873 CA ARG A 48 -49.122 -23.993 -13.554 1.00 20.00 C ATOM 874 C ARG A 48 -49.318 -22.480 -13.570 1.00 20.00 C ATOM 875 O ARG A 48 -50.439 -21.985 -13.710 1.00 20.00 O ATOM 876 CB ARG A 48 -48.976 -24.490 -12.113 1.00 20.00 C ATOM 877 CG ARG A 48 -50.125 -24.092 -11.198 1.00 20.00 C ATOM 878 CD ARG A 48 -49.873 -24.535 -9.764 1.00 20.00 C ATOM 879 NE ARG A 48 -49.723 -25.986 -9.660 1.00 20.00 N ATOM 880 CZ ARG A 48 -49.097 -26.605 -8.658 1.00 20.00 C ATOM 881 NH1 ARG A 48 -48.556 -25.906 -7.666 1.00 20.00 N ATOM 882 NH2 ARG A 48 -49.025 -27.930 -8.646 1.00 20.00 N ATOM 0 H ARG A 48 -47.235 -24.868 -13.804 1.00 20.00 H new ATOM 0 HA ARG A 48 -49.997 -24.464 -14.002 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -48.893 -25.577 -12.122 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -48.045 -24.102 -11.699 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -50.258 -23.011 -11.228 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -51.052 -24.537 -11.560 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -48.973 -24.049 -9.387 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -50.700 -24.209 -9.133 1.00 20.00 H new ATOM 0 HE ARG A 48 -50.123 -26.562 -10.401 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -48.618 -24.888 -7.667 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -48.079 -26.388 -6.904 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -49.447 -28.471 -9.401 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -48.547 -28.408 -7.882 1.00 20.00 H new ATOM 896 N MET A 49 -48.213 -21.754 -13.435 1.00 20.00 N ATOM 897 CA MET A 49 -48.237 -20.299 -13.474 1.00 20.00 C ATOM 898 C MET A 49 -48.539 -19.802 -14.881 1.00 20.00 C ATOM 899 O MET A 49 -49.163 -18.756 -15.059 1.00 20.00 O ATOM 900 CB MET A 49 -46.903 -19.728 -12.997 1.00 20.00 C ATOM 901 CG MET A 49 -46.587 -20.061 -11.552 1.00 20.00 C ATOM 902 SD MET A 49 -47.861 -19.493 -10.411 1.00 20.00 S ATOM 903 CE MET A 49 -47.194 -20.093 -8.863 1.00 20.00 C ATOM 0 H MET A 49 -47.285 -22.154 -13.297 1.00 20.00 H new ATOM 0 HA MET A 49 -49.027 -19.957 -12.805 1.00 20.00 H new ATOM 0 HB2 MET A 49 -46.105 -20.110 -13.633 1.00 20.00 H new ATOM 0 HB3 MET A 49 -46.916 -18.645 -13.118 1.00 20.00 H new ATOM 0 HG2 MET A 49 -46.469 -21.140 -11.450 1.00 20.00 H new ATOM 0 HG3 MET A 49 -45.634 -19.609 -11.280 1.00 20.00 H new ATOM 0 HE1 MET A 49 -47.866 -19.823 -8.048 1.00 20.00 H new ATOM 0 HE2 MET A 49 -47.093 -21.177 -8.906 1.00 20.00 H new ATOM 0 HE3 MET A 49 -46.216 -19.644 -8.690 1.00 20.00 H new ATOM 913 N ALA A 50 -48.097 -20.562 -15.876 1.00 20.00 N ATOM 914 CA ALA A 50 -48.364 -20.235 -17.268 1.00 20.00 C ATOM 915 C ALA A 50 -49.853 -20.343 -17.566 1.00 20.00 C ATOM 916 O ALA A 50 -50.429 -19.483 -18.236 1.00 20.00 O ATOM 917 CB ALA A 50 -47.571 -21.145 -18.188 1.00 20.00 C ATOM 0 H ALA A 50 -47.550 -21.412 -15.742 1.00 20.00 H new ATOM 0 HA ALA A 50 -48.051 -19.206 -17.446 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -47.782 -20.887 -19.226 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -46.506 -21.021 -17.993 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -47.854 -22.182 -18.007 1.00 20.00 H new ATOM 923 N GLU A 51 -50.470 -21.401 -17.054 1.00 20.00 N ATOM 924 CA GLU A 51 -51.905 -21.601 -17.212 1.00 20.00 C ATOM 925 C GLU A 51 -52.669 -20.561 -16.405 1.00 20.00 C ATOM 926 O GLU A 51 -53.741 -20.107 -16.806 1.00 20.00 O ATOM 927 CB GLU A 51 -52.309 -23.009 -16.765 1.00 20.00 C ATOM 928 CG GLU A 51 -51.629 -24.122 -17.545 1.00 20.00 C ATOM 929 CD GLU A 51 -52.192 -25.486 -17.214 1.00 20.00 C ATOM 930 OE1 GLU A 51 -51.725 -26.112 -16.243 1.00 20.00 O ATOM 931 OE2 GLU A 51 -53.112 -25.938 -17.928 1.00 20.00 O ATOM 0 H GLU A 51 -49.998 -22.135 -16.525 1.00 20.00 H new ATOM 0 HA GLU A 51 -52.153 -21.489 -18.267 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -52.075 -23.125 -15.707 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -53.389 -23.116 -16.866 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -51.742 -23.935 -18.613 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -50.560 -24.111 -17.331 1.00 20.00 H new ATOM 938 N ARG A 52 -52.098 -20.188 -15.266 1.00 20.00 N ATOM 939 CA ARG A 52 -52.664 -19.153 -14.412 1.00 20.00 C ATOM 940 C ARG A 52 -52.671 -17.813 -15.145 1.00 20.00 C ATOM 941 O ARG A 52 -53.630 -17.047 -15.061 1.00 20.00 O ATOM 942 CB ARG A 52 -51.847 -19.057 -13.121 1.00 20.00 C ATOM 943 CG ARG A 52 -52.397 -18.083 -12.094 1.00 20.00 C ATOM 944 CD ARG A 52 -51.521 -18.062 -10.854 1.00 20.00 C ATOM 945 NE ARG A 52 -52.042 -17.172 -9.820 1.00 20.00 N ATOM 946 CZ ARG A 52 -51.332 -16.758 -8.774 1.00 20.00 C ATOM 947 NH1 ARG A 52 -50.064 -17.131 -8.638 1.00 20.00 N ATOM 948 NH2 ARG A 52 -51.884 -15.959 -7.869 1.00 20.00 N ATOM 0 H ARG A 52 -51.232 -20.593 -14.910 1.00 20.00 H new ATOM 0 HA ARG A 52 -53.693 -19.410 -14.162 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -51.790 -20.047 -12.669 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -50.828 -18.762 -13.373 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -52.450 -17.083 -12.525 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -53.414 -18.368 -11.823 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -51.439 -19.072 -10.453 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -50.515 -17.746 -11.129 1.00 20.00 H new ATOM 0 HE ARG A 52 -53.006 -16.849 -9.905 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -49.633 -17.736 -9.337 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -49.522 -16.812 -7.835 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -52.854 -15.662 -7.975 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -51.338 -15.642 -7.068 1.00 20.00 H new ATOM 962 N PHE A 53 -51.596 -17.552 -15.881 1.00 20.00 N ATOM 963 CA PHE A 53 -51.490 -16.349 -16.691 1.00 20.00 C ATOM 964 C PHE A 53 -52.485 -16.404 -17.846 1.00 20.00 C ATOM 965 O PHE A 53 -53.068 -15.392 -18.229 1.00 20.00 O ATOM 966 CB PHE A 53 -50.061 -16.195 -17.225 1.00 20.00 C ATOM 967 CG PHE A 53 -49.840 -14.945 -18.034 1.00 20.00 C ATOM 968 CD1 PHE A 53 -49.552 -13.745 -17.409 1.00 20.00 C ATOM 969 CD2 PHE A 53 -49.919 -14.973 -19.419 1.00 20.00 C ATOM 970 CE1 PHE A 53 -49.346 -12.595 -18.147 1.00 20.00 C ATOM 971 CE2 PHE A 53 -49.715 -13.826 -20.162 1.00 20.00 C ATOM 972 CZ PHE A 53 -49.428 -12.634 -19.525 1.00 20.00 C ATOM 0 H PHE A 53 -50.781 -18.164 -15.932 1.00 20.00 H new ATOM 0 HA PHE A 53 -51.724 -15.485 -16.070 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -49.368 -16.198 -16.384 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -49.819 -17.061 -17.841 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -49.487 -13.706 -16.332 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -50.143 -15.902 -19.922 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -49.121 -11.665 -17.646 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -49.780 -13.861 -21.239 1.00 20.00 H new ATOM 0 HZ PHE A 53 -49.268 -11.736 -20.103 1.00 20.00 H new ATOM 982 N ALA A 54 -52.685 -17.603 -18.382 1.00 20.00 N ATOM 983 CA ALA A 54 -53.621 -17.812 -19.479 1.00 20.00 C ATOM 984 C ALA A 54 -55.041 -17.442 -19.064 1.00 20.00 C ATOM 985 O ALA A 54 -55.819 -16.920 -19.863 1.00 20.00 O ATOM 986 CB ALA A 54 -53.566 -19.257 -19.948 1.00 20.00 C ATOM 0 H ALA A 54 -52.208 -18.449 -18.072 1.00 20.00 H new ATOM 0 HA ALA A 54 -53.330 -17.162 -20.304 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -54.270 -19.400 -20.768 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -52.558 -19.490 -20.290 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -53.831 -19.918 -19.123 1.00 20.00 H new ATOM 992 N LYS A 55 -55.367 -17.704 -17.805 1.00 20.00 N ATOM 993 CA LYS A 55 -56.678 -17.374 -17.261 1.00 20.00 C ATOM 994 C LYS A 55 -56.844 -15.862 -17.130 1.00 20.00 C ATOM 995 O LYS A 55 -57.961 -15.348 -17.116 1.00 20.00 O ATOM 996 CB LYS A 55 -56.869 -18.041 -15.897 1.00 20.00 C ATOM 997 CG LYS A 55 -56.799 -19.564 -15.938 1.00 20.00 C ATOM 998 CD LYS A 55 -58.016 -20.179 -16.613 1.00 20.00 C ATOM 999 CE LYS A 55 -59.278 -19.976 -15.789 1.00 20.00 C ATOM 1000 NZ LYS A 55 -60.445 -20.689 -16.370 1.00 20.00 N ATOM 0 H LYS A 55 -54.736 -18.147 -17.137 1.00 20.00 H new ATOM 0 HA LYS A 55 -57.437 -17.748 -17.949 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -56.106 -17.670 -15.212 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -57.835 -17.742 -15.490 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -55.898 -19.870 -16.469 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -56.716 -19.949 -14.922 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -58.149 -19.734 -17.599 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -57.848 -21.245 -16.765 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -59.107 -20.329 -14.772 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -59.500 -18.911 -15.723 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -61.283 -20.524 -15.777 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -60.625 -20.334 -17.331 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -60.244 -21.709 -16.409 1.00 20.00 H new ATOM 1014 N MET A 56 -55.724 -15.158 -17.035 1.00 20.00 N ATOM 1015 CA MET A 56 -55.732 -13.703 -16.932 1.00 20.00 C ATOM 1016 C MET A 56 -55.778 -13.073 -18.319 1.00 20.00 C ATOM 1017 O MET A 56 -56.194 -11.927 -18.484 1.00 20.00 O ATOM 1018 CB MET A 56 -54.497 -13.215 -16.171 1.00 20.00 C ATOM 1019 CG MET A 56 -54.426 -13.726 -14.740 1.00 20.00 C ATOM 1020 SD MET A 56 -55.799 -13.150 -13.725 1.00 20.00 S ATOM 1021 CE MET A 56 -55.474 -11.388 -13.689 1.00 20.00 C ATOM 0 H MET A 56 -54.792 -15.573 -17.027 1.00 20.00 H new ATOM 0 HA MET A 56 -56.623 -13.401 -16.381 1.00 20.00 H new ATOM 0 HB2 MET A 56 -53.602 -13.531 -16.706 1.00 20.00 H new ATOM 0 HB3 MET A 56 -54.494 -12.125 -16.160 1.00 20.00 H new ATOM 0 HG2 MET A 56 -54.418 -14.816 -14.748 1.00 20.00 H new ATOM 0 HG3 MET A 56 -53.487 -13.404 -14.290 1.00 20.00 H new ATOM 0 HE1 MET A 56 -56.009 -10.936 -12.853 1.00 20.00 H new ATOM 0 HE2 MET A 56 -54.404 -11.218 -13.570 1.00 20.00 H new ATOM 0 HE3 MET A 56 -55.811 -10.937 -14.622 1.00 20.00 H new ATOM 1031 N ARG A 57 -55.353 -13.843 -19.314 1.00 20.00 N ATOM 1032 CA ARG A 57 -55.378 -13.402 -20.707 1.00 20.00 C ATOM 1033 C ARG A 57 -56.800 -13.485 -21.260 1.00 20.00 C ATOM 1034 O ARG A 57 -57.101 -12.936 -22.320 1.00 20.00 O ATOM 1035 CB ARG A 57 -54.428 -14.270 -21.545 1.00 20.00 C ATOM 1036 CG ARG A 57 -54.375 -13.905 -23.026 1.00 20.00 C ATOM 1037 CD ARG A 57 -53.470 -14.855 -23.795 1.00 20.00 C ATOM 1038 NE ARG A 57 -53.460 -14.584 -25.233 1.00 20.00 N ATOM 1039 CZ ARG A 57 -53.314 -15.528 -26.168 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -53.196 -16.805 -25.817 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -53.290 -15.194 -27.452 1.00 20.00 N ATOM 0 H ARG A 57 -54.983 -14.784 -19.182 1.00 20.00 H new ATOM 0 HA ARG A 57 -55.046 -12.365 -20.758 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -53.424 -14.192 -21.129 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -54.732 -15.313 -21.452 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -55.380 -13.936 -23.447 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -54.013 -12.883 -23.139 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -52.454 -14.777 -23.407 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -53.798 -15.881 -23.625 1.00 20.00 H new ATOM 0 HE ARG A 57 -53.571 -13.618 -25.540 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -53.217 -17.067 -24.831 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -53.085 -17.523 -26.533 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -53.383 -14.216 -27.726 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -53.179 -15.915 -28.165 1.00 20.00 H new