USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 254 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.59) 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= -0.372 X(o=-0.37,f=-0.43) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.017 (180deg=-0.14) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 49 MET CE :methyl 157:sc= -0.333 (180deg=-1.31!) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.021 (180deg=-0.187) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.936 0.295 4.555 1.00 20.00 N ATOM 365 CA GLU A 16 -31.506 -0.261 3.333 1.00 20.00 C ATOM 366 C GLU A 16 -30.414 -0.840 2.433 1.00 20.00 C ATOM 367 O GLU A 16 -30.604 -1.878 1.799 1.00 20.00 O ATOM 368 CB GLU A 16 -32.287 0.815 2.566 1.00 20.00 C ATOM 369 CG GLU A 16 -33.303 1.576 3.411 1.00 20.00 C ATOM 370 CD GLU A 16 -32.715 2.810 4.075 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.896 2.665 5.004 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.060 3.934 3.657 1.00 20.00 O ATOM 0 HA GLU A 16 -32.186 -1.063 3.619 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.580 1.527 2.141 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.806 0.344 1.731 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.142 1.873 2.781 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.700 0.911 4.178 1.00 20.00 H new ATOM 379 N GLN A 17 -29.268 -0.172 2.389 1.00 20.00 N ATOM 380 CA GLN A 17 -28.152 -0.633 1.572 1.00 20.00 C ATOM 381 C GLN A 17 -27.348 -1.684 2.323 1.00 20.00 C ATOM 382 O GLN A 17 -26.772 -2.589 1.721 1.00 20.00 O ATOM 383 CB GLN A 17 -27.251 0.535 1.163 1.00 20.00 C ATOM 384 CG GLN A 17 -27.946 1.551 0.271 1.00 20.00 C ATOM 385 CD GLN A 17 -27.027 2.673 -0.177 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.084 3.039 0.527 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.294 3.231 -1.347 1.00 20.00 N ATOM 0 H GLN A 17 -29.087 0.688 2.907 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.557 -1.081 0.665 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.890 1.037 2.061 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.376 0.144 0.643 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.345 1.043 -0.607 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -28.795 1.976 0.806 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -28.084 2.900 -1.901 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.710 3.992 -1.694 1.00 20.00 H new ATOM 396 N GLU A 18 -27.329 -1.566 3.646 1.00 20.00 N ATOM 397 CA GLU A 18 -26.661 -2.547 4.495 1.00 20.00 C ATOM 398 C GLU A 18 -27.329 -3.912 4.344 1.00 20.00 C ATOM 399 O GLU A 18 -26.703 -4.955 4.537 1.00 20.00 O ATOM 400 CB GLU A 18 -26.707 -2.107 5.962 1.00 20.00 C ATOM 401 CG GLU A 18 -25.998 -3.062 6.910 1.00 20.00 C ATOM 402 CD GLU A 18 -26.455 -2.904 8.342 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.569 -3.369 8.662 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.708 -2.331 9.157 1.00 20.00 O ATOM 0 H GLU A 18 -27.769 -0.800 4.155 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.619 -2.621 4.183 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.255 -1.119 6.050 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.748 -2.009 6.270 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.176 -4.088 6.587 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -24.923 -2.892 6.855 1.00 20.00 H new ATOM 411 N ASN A 19 -28.608 -3.893 3.985 1.00 20.00 N ATOM 412 CA ASN A 19 -29.370 -5.118 3.768 1.00 20.00 C ATOM 413 C ASN A 19 -28.753 -5.943 2.640 1.00 20.00 C ATOM 414 O ASN A 19 -28.789 -7.171 2.667 1.00 20.00 O ATOM 415 CB ASN A 19 -30.833 -4.786 3.451 1.00 20.00 C ATOM 416 CG ASN A 19 -31.703 -6.022 3.290 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.445 -7.069 3.888 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.747 -5.908 2.485 1.00 20.00 N ATOM 0 H ASN A 19 -29.142 -3.037 3.837 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.338 -5.711 4.682 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.239 -4.164 4.249 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.876 -4.197 2.535 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.370 -6.703 2.342 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.929 -5.025 2.007 1.00 20.00 H new ATOM 425 N SER A 20 -28.152 -5.264 1.668 1.00 20.00 N ATOM 426 CA SER A 20 -27.496 -5.942 0.560 1.00 20.00 C ATOM 427 C SER A 20 -26.217 -6.625 1.035 1.00 20.00 C ATOM 428 O SER A 20 -25.826 -7.667 0.518 1.00 20.00 O ATOM 429 CB SER A 20 -27.190 -4.948 -0.561 1.00 20.00 C ATOM 430 OG SER A 20 -28.366 -4.255 -0.949 1.00 20.00 O ATOM 0 H SER A 20 -28.107 -4.246 1.627 1.00 20.00 H new ATOM 0 HA SER A 20 -28.168 -6.707 0.171 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.435 -4.236 -0.227 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.773 -5.476 -1.419 1.00 20.00 H new ATOM 0 HG SER A 20 -28.151 -3.622 -1.666 1.00 20.00 H new ATOM 436 N TYR A 21 -25.581 -6.041 2.043 1.00 20.00 N ATOM 437 CA TYR A 21 -24.394 -6.637 2.640 1.00 20.00 C ATOM 438 C TYR A 21 -24.795 -7.836 3.487 1.00 20.00 C ATOM 439 O TYR A 21 -24.120 -8.865 3.500 1.00 20.00 O ATOM 440 CB TYR A 21 -23.641 -5.612 3.497 1.00 20.00 C ATOM 441 CG TYR A 21 -23.031 -4.473 2.702 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.812 -3.413 2.255 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.672 -4.454 2.407 1.00 20.00 C ATOM 444 CE1 TYR A 21 -23.259 -2.371 1.537 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.113 -3.414 1.688 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.912 -2.376 1.256 1.00 20.00 C ATOM 447 OH TYR A 21 -21.359 -1.337 0.542 1.00 20.00 O ATOM 0 H TYR A 21 -25.867 -5.157 2.463 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.729 -6.965 1.841 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.326 -5.199 4.237 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.850 -6.123 4.046 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -24.870 -3.404 2.473 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -21.043 -5.265 2.745 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -23.881 -1.556 1.198 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -20.056 -3.414 1.466 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.398 -1.492 0.430 1.00 20.00 H new ATOM 457 N ASN A 22 -25.924 -7.700 4.173 1.00 20.00 N ATOM 458 CA ASN A 22 -26.475 -8.785 4.977 1.00 20.00 C ATOM 459 C ASN A 22 -26.996 -9.900 4.085 1.00 20.00 C ATOM 460 O ASN A 22 -27.123 -11.048 4.516 1.00 20.00 O ATOM 461 CB ASN A 22 -27.596 -8.277 5.888 1.00 20.00 C ATOM 462 CG ASN A 22 -27.074 -7.591 7.134 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.859 -8.231 8.162 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.874 -6.285 7.059 1.00 20.00 N ATOM 0 H ASN A 22 -26.479 -6.844 4.188 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.673 -9.179 5.602 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.223 -7.581 5.331 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.230 -9.115 6.178 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.530 -5.774 7.872 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.064 -5.789 6.188 1.00 20.00 H new ATOM 471 N GLU A 23 -27.289 -9.553 2.840 1.00 20.00 N ATOM 472 CA GLU A 23 -27.757 -10.516 1.858 1.00 20.00 C ATOM 473 C GLU A 23 -26.652 -11.520 1.549 1.00 20.00 C ATOM 474 O GLU A 23 -26.901 -12.715 1.407 1.00 20.00 O ATOM 475 CB GLU A 23 -28.190 -9.797 0.579 1.00 20.00 C ATOM 476 CG GLU A 23 -29.058 -10.640 -0.335 1.00 20.00 C ATOM 477 CD GLU A 23 -30.409 -10.937 0.279 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.318 -10.088 0.163 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.566 -12.019 0.881 1.00 20.00 O ATOM 0 H GLU A 23 -27.209 -8.600 2.485 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.616 -11.049 2.266 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.735 -8.892 0.849 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.301 -9.483 0.032 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.197 -10.120 -1.283 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.547 -11.577 -0.557 1.00 20.00 H new ATOM 486 N TRP A 24 -25.423 -11.032 1.465 1.00 20.00 N ATOM 487 CA TRP A 24 -24.280 -11.901 1.229 1.00 20.00 C ATOM 488 C TRP A 24 -23.963 -12.702 2.486 1.00 20.00 C ATOM 489 O TRP A 24 -23.447 -13.819 2.416 1.00 20.00 O ATOM 490 CB TRP A 24 -23.058 -11.087 0.791 1.00 20.00 C ATOM 491 CG TRP A 24 -23.303 -10.279 -0.446 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.884 -10.710 -1.604 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.965 -8.902 -0.654 1.00 20.00 C ATOM 494 NE1 TRP A 24 -23.941 -9.683 -2.513 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.383 -8.562 -1.955 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.357 -7.922 0.134 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.210 -7.286 -2.483 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.185 -6.655 -0.392 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.611 -6.347 -1.689 1.00 20.00 C ATOM 0 H TRP A 24 -25.192 -10.043 1.556 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.532 -12.592 0.425 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.764 -10.420 1.601 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.222 -11.764 0.616 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.246 -11.712 -1.779 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -24.335 -9.744 -3.452 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.027 -8.150 1.137 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -23.537 -7.046 -3.484 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.714 -5.890 0.208 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.464 -5.348 -2.071 1.00 20.00 H new ATOM 510 N LEU A 25 -24.313 -12.139 3.639 1.00 20.00 N ATOM 511 CA LEU A 25 -24.108 -12.810 4.915 1.00 20.00 C ATOM 512 C LEU A 25 -25.096 -13.959 5.090 1.00 20.00 C ATOM 513 O LEU A 25 -24.967 -14.760 6.010 1.00 20.00 O ATOM 514 CB LEU A 25 -24.243 -11.823 6.077 1.00 20.00 C ATOM 515 CG LEU A 25 -23.194 -10.703 6.114 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.445 -9.778 7.295 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.787 -11.283 6.186 1.00 20.00 C ATOM 0 H LEU A 25 -24.741 -11.216 3.714 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.097 -13.217 4.918 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.233 -11.369 6.033 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.189 -12.380 7.013 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.280 -10.125 5.194 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.692 -8.990 7.306 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.436 -9.332 7.204 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.387 -10.348 8.222 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.060 -10.471 6.211 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.688 -11.887 7.088 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.605 -11.906 5.310 1.00 20.00 H new ATOM 529 N ARG A 26 -26.088 -14.030 4.208 1.00 20.00 N ATOM 530 CA ARG A 26 -27.022 -15.149 4.199 1.00 20.00 C ATOM 531 C ARG A 26 -26.307 -16.436 3.803 1.00 20.00 C ATOM 532 O ARG A 26 -26.551 -17.495 4.375 1.00 20.00 O ATOM 533 CB ARG A 26 -28.185 -14.887 3.239 1.00 20.00 C ATOM 534 CG ARG A 26 -29.216 -13.897 3.756 1.00 20.00 C ATOM 535 CD ARG A 26 -29.901 -14.411 5.014 1.00 20.00 C ATOM 536 NE ARG A 26 -31.064 -13.604 5.371 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.918 -13.916 6.346 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.727 -15.003 7.084 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.961 -13.138 6.587 1.00 20.00 N ATOM 0 H ARG A 26 -26.265 -13.326 3.491 1.00 20.00 H new ATOM 0 HA ARG A 26 -27.422 -15.257 5.207 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.785 -14.516 2.295 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.683 -15.833 3.024 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.732 -12.943 3.968 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.963 -13.711 2.984 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.210 -15.445 4.862 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.190 -14.409 5.841 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.234 -12.749 4.842 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.923 -15.605 6.907 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.384 -15.236 7.828 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.112 -12.299 6.027 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.614 -13.377 7.333 1.00 20.00 H new ATOM 553 N ALA A 27 -25.411 -16.330 2.832 1.00 20.00 N ATOM 554 CA ALA A 27 -24.648 -17.479 2.368 1.00 20.00 C ATOM 555 C ALA A 27 -23.403 -17.668 3.218 1.00 20.00 C ATOM 556 O ALA A 27 -22.972 -18.788 3.484 1.00 20.00 O ATOM 557 CB ALA A 27 -24.268 -17.300 0.912 1.00 20.00 C ATOM 0 H ALA A 27 -25.195 -15.458 2.350 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.269 -18.370 2.462 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.697 -18.166 0.576 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.171 -17.204 0.309 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.662 -16.401 0.802 1.00 20.00 H new ATOM 563 N LYS A 28 -22.846 -16.553 3.657 1.00 20.00 N ATOM 564 CA LYS A 28 -21.637 -16.553 4.471 1.00 20.00 C ATOM 565 C LYS A 28 -21.958 -16.800 5.942 1.00 20.00 C ATOM 566 O LYS A 28 -21.071 -16.743 6.788 1.00 20.00 O ATOM 567 CB LYS A 28 -20.877 -15.233 4.317 1.00 20.00 C ATOM 568 CG LYS A 28 -20.293 -15.016 2.927 1.00 20.00 C ATOM 569 CD LYS A 28 -19.575 -13.679 2.821 1.00 20.00 C ATOM 570 CE LYS A 28 -18.425 -13.568 3.818 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.414 -14.643 3.628 1.00 20.00 N ATOM 0 H LYS A 28 -23.216 -15.623 3.461 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.005 -17.367 4.116 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.550 -14.408 4.550 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.070 -15.202 5.049 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.597 -15.822 2.695 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.091 -15.060 2.186 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.191 -13.553 1.809 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.285 -12.871 2.995 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.944 -12.596 3.710 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.820 -13.617 4.833 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.574 -14.436 4.205 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.818 -15.555 3.920 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.142 -14.690 2.625 1.00 20.00 H new ATOM 585 N VAL A 29 -23.233 -17.049 6.235 1.00 20.00 N ATOM 586 CA VAL A 29 -23.714 -17.225 7.609 1.00 20.00 C ATOM 587 C VAL A 29 -22.897 -18.265 8.384 1.00 20.00 C ATOM 588 O VAL A 29 -22.772 -18.184 9.604 1.00 20.00 O ATOM 589 CB VAL A 29 -25.211 -17.625 7.626 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.428 -19.000 7.007 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.770 -17.579 9.040 1.00 20.00 C ATOM 0 H VAL A 29 -23.964 -17.135 5.529 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.590 -16.262 8.105 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.751 -16.898 7.020 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.489 -19.249 7.036 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.085 -18.991 5.972 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.866 -19.745 7.570 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.822 -17.864 9.025 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.216 -18.272 9.673 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -25.673 -16.568 9.437 1.00 20.00 H new ATOM 772 N HIS A 42 -29.743 -7.086 28.374 1.00 20.00 N ATOM 773 CA HIS A 42 -31.041 -6.426 28.492 1.00 20.00 C ATOM 774 C HIS A 42 -30.871 -4.932 28.744 1.00 20.00 C ATOM 775 O HIS A 42 -31.750 -4.137 28.411 1.00 20.00 O ATOM 776 CB HIS A 42 -31.863 -7.067 29.616 1.00 20.00 C ATOM 777 CG HIS A 42 -33.296 -6.620 29.650 1.00 20.00 C ATOM 778 ND1 HIS A 42 -33.821 -5.843 30.659 1.00 20.00 N ATOM 779 CD2 HIS A 42 -34.317 -6.857 28.793 1.00 20.00 C ATOM 780 CE1 HIS A 42 -35.100 -5.625 30.424 1.00 20.00 C ATOM 781 NE2 HIS A 42 -35.428 -6.228 29.297 1.00 20.00 N ATOM 0 HA HIS A 42 -31.575 -6.553 27.550 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -31.833 -8.151 29.503 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -31.397 -6.833 30.573 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -34.267 -7.434 27.882 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -35.767 -5.050 31.049 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -36.355 -6.227 28.871 1.00 20.00 H new ATOM 790 N ASP A 43 -29.738 -4.562 29.329 1.00 20.00 N ATOM 791 CA ASP A 43 -29.417 -3.158 29.560 1.00 20.00 C ATOM 792 C ASP A 43 -29.113 -2.460 28.241 1.00 20.00 C ATOM 793 O ASP A 43 -29.532 -1.325 28.015 1.00 20.00 O ATOM 794 CB ASP A 43 -28.230 -3.024 30.523 1.00 20.00 C ATOM 795 CG ASP A 43 -27.771 -1.587 30.696 1.00 20.00 C ATOM 796 OD1 ASP A 43 -28.335 -0.863 31.547 1.00 20.00 O ATOM 797 OD2 ASP A 43 -26.832 -1.175 29.983 1.00 20.00 O ATOM 0 H ASP A 43 -29.025 -5.216 29.653 1.00 20.00 H new ATOM 0 HA ASP A 43 -30.283 -2.679 30.016 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -28.509 -3.431 31.495 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -27.399 -3.624 30.153 1.00 20.00 H new ATOM 802 N GLU A 44 -28.412 -3.159 27.355 1.00 20.00 N ATOM 803 CA GLU A 44 -28.050 -2.601 26.060 1.00 20.00 C ATOM 804 C GLU A 44 -29.280 -2.519 25.163 1.00 20.00 C ATOM 805 O GLU A 44 -29.436 -1.574 24.385 1.00 20.00 O ATOM 806 CB GLU A 44 -26.946 -3.436 25.396 1.00 20.00 C ATOM 807 CG GLU A 44 -26.414 -2.818 24.113 1.00 20.00 C ATOM 808 CD GLU A 44 -25.176 -3.514 23.584 1.00 20.00 C ATOM 809 OE1 GLU A 44 -24.152 -3.548 24.299 1.00 20.00 O ATOM 810 OE2 GLU A 44 -25.212 -4.011 22.441 1.00 20.00 O ATOM 0 H GLU A 44 -28.084 -4.112 27.511 1.00 20.00 H new ATOM 0 HA GLU A 44 -27.662 -1.594 26.211 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -26.123 -3.562 26.099 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -27.334 -4.431 25.178 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -27.194 -2.849 23.352 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -26.184 -1.768 24.291 1.00 20.00 H new ATOM 817 N VAL A 45 -30.159 -3.507 25.293 1.00 20.00 N ATOM 818 CA VAL A 45 -31.428 -3.508 24.577 1.00 20.00 C ATOM 819 C VAL A 45 -32.254 -2.290 24.972 1.00 20.00 C ATOM 820 O VAL A 45 -32.791 -1.580 24.121 1.00 20.00 O ATOM 821 CB VAL A 45 -32.244 -4.786 24.871 1.00 20.00 C ATOM 822 CG1 VAL A 45 -33.582 -4.764 24.148 1.00 20.00 C ATOM 823 CG2 VAL A 45 -31.457 -6.023 24.485 1.00 20.00 C ATOM 0 H VAL A 45 -30.014 -4.321 25.891 1.00 20.00 H new ATOM 0 HA VAL A 45 -31.202 -3.477 23.511 1.00 20.00 H new ATOM 0 HB VAL A 45 -32.439 -4.816 25.943 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -34.133 -5.677 24.375 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -34.159 -3.900 24.477 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -33.414 -4.699 23.073 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -32.049 -6.913 24.700 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -31.226 -5.990 23.420 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -30.530 -6.057 25.057 1.00 20.00 H new ATOM 833 N GLU A 46 -32.312 -2.041 26.272 1.00 20.00 N ATOM 834 CA GLU A 46 -33.093 -0.940 26.822 1.00 20.00 C ATOM 835 C GLU A 46 -32.559 0.414 26.349 1.00 20.00 C ATOM 836 O GLU A 46 -33.299 1.393 26.268 1.00 20.00 O ATOM 837 CB GLU A 46 -33.076 -1.005 28.349 1.00 20.00 C ATOM 838 CG GLU A 46 -33.992 0.003 29.016 1.00 20.00 C ATOM 839 CD GLU A 46 -33.898 -0.045 30.521 1.00 20.00 C ATOM 840 OE1 GLU A 46 -34.528 -0.931 31.129 1.00 20.00 O ATOM 841 OE2 GLU A 46 -33.193 0.804 31.105 1.00 20.00 O ATOM 0 H GLU A 46 -31.821 -2.594 26.974 1.00 20.00 H new ATOM 0 HA GLU A 46 -34.118 -1.039 26.464 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -33.365 -2.008 28.664 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -32.057 -0.842 28.699 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -33.739 1.005 28.670 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -35.021 -0.188 28.712 1.00 20.00 H new ATOM 848 N ARG A 47 -31.270 0.471 26.053 1.00 20.00 N ATOM 849 CA ARG A 47 -30.664 1.702 25.568 1.00 20.00 C ATOM 850 C ARG A 47 -30.837 1.845 24.059 1.00 20.00 C ATOM 851 O ARG A 47 -31.344 2.858 23.578 1.00 20.00 O ATOM 852 CB ARG A 47 -29.179 1.745 25.927 1.00 20.00 C ATOM 853 CG ARG A 47 -28.913 1.623 27.417 1.00 20.00 C ATOM 854 CD ARG A 47 -27.428 1.644 27.727 1.00 20.00 C ATOM 855 NE ARG A 47 -27.169 1.309 29.121 1.00 20.00 N ATOM 856 CZ ARG A 47 -26.696 2.160 30.023 1.00 20.00 C ATOM 857 NH1 ARG A 47 -26.406 3.409 29.683 1.00 20.00 N ATOM 858 NH2 ARG A 47 -26.510 1.754 31.271 1.00 20.00 N ATOM 0 H ARG A 47 -30.626 -0.315 26.139 1.00 20.00 H new ATOM 0 HA ARG A 47 -31.173 2.535 26.053 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -28.664 0.938 25.407 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -28.753 2.681 25.565 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -29.406 2.441 27.943 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -29.349 0.696 27.790 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -26.910 0.937 27.079 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -27.023 2.632 27.508 1.00 20.00 H new ATOM 0 HE ARG A 47 -27.365 0.355 29.425 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -26.546 3.722 28.722 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -26.043 4.057 30.382 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -26.730 0.793 31.533 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -26.147 2.403 31.970 1.00 20.00 H new ATOM 872 N ARG A 48 -30.428 0.822 23.318 1.00 20.00 N ATOM 873 CA ARG A 48 -30.399 0.894 21.860 1.00 20.00 C ATOM 874 C ARG A 48 -31.730 0.491 21.233 1.00 20.00 C ATOM 875 O ARG A 48 -32.360 1.286 20.536 1.00 20.00 O ATOM 876 CB ARG A 48 -29.277 0.014 21.293 1.00 20.00 C ATOM 877 CG ARG A 48 -27.880 0.623 21.380 1.00 20.00 C ATOM 878 CD ARG A 48 -27.373 0.742 22.810 1.00 20.00 C ATOM 879 NE ARG A 48 -26.009 1.267 22.855 1.00 20.00 N ATOM 880 CZ ARG A 48 -25.134 0.991 23.819 1.00 20.00 C ATOM 881 NH1 ARG A 48 -25.495 0.243 24.857 1.00 20.00 N ATOM 882 NH2 ARG A 48 -23.900 1.472 23.750 1.00 20.00 N ATOM 0 H ARG A 48 -30.111 -0.068 23.702 1.00 20.00 H new ATOM 0 HA ARG A 48 -30.210 1.936 21.604 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -29.277 -0.938 21.825 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -29.498 -0.204 20.248 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -27.186 0.011 20.804 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -27.891 1.611 20.920 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -28.034 1.396 23.378 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -27.403 -0.236 23.290 1.00 20.00 H new ATOM 0 HE ARG A 48 -25.709 1.884 22.100 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -26.446 -0.122 24.917 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -24.821 0.034 25.594 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -23.623 2.053 22.959 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -23.228 1.261 24.488 1.00 20.00 H new ATOM 896 N MET A 49 -32.166 -0.736 21.492 1.00 20.00 N ATOM 897 CA MET A 49 -33.339 -1.285 20.814 1.00 20.00 C ATOM 898 C MET A 49 -34.628 -0.602 21.245 1.00 20.00 C ATOM 899 O MET A 49 -35.629 -0.680 20.540 1.00 20.00 O ATOM 900 CB MET A 49 -33.464 -2.788 21.047 1.00 20.00 C ATOM 901 CG MET A 49 -32.504 -3.626 20.218 1.00 20.00 C ATOM 902 SD MET A 49 -32.896 -5.382 20.280 1.00 20.00 S ATOM 903 CE MET A 49 -34.545 -5.382 19.584 1.00 20.00 C ATOM 0 H MET A 49 -31.729 -1.369 22.163 1.00 20.00 H new ATOM 0 HA MET A 49 -33.189 -1.096 19.751 1.00 20.00 H new ATOM 0 HB2 MET A 49 -33.293 -2.997 22.103 1.00 20.00 H new ATOM 0 HB3 MET A 49 -34.485 -3.096 20.823 1.00 20.00 H new ATOM 0 HG2 MET A 49 -32.531 -3.287 19.182 1.00 20.00 H new ATOM 0 HG3 MET A 49 -31.487 -3.471 20.578 1.00 20.00 H new ATOM 0 HE1 MET A 49 -34.769 -6.369 19.179 1.00 20.00 H new ATOM 0 HE2 MET A 49 -35.268 -5.137 20.362 1.00 20.00 H new ATOM 0 HE3 MET A 49 -34.604 -4.640 18.787 1.00 20.00 H new ATOM 913 N ALA A 50 -34.611 0.055 22.395 1.00 20.00 N ATOM 914 CA ALA A 50 -35.779 0.789 22.866 1.00 20.00 C ATOM 915 C ALA A 50 -36.224 1.821 21.838 1.00 20.00 C ATOM 916 O ALA A 50 -37.400 1.890 21.477 1.00 20.00 O ATOM 917 CB ALA A 50 -35.486 1.464 24.191 1.00 20.00 C ATOM 0 H ALA A 50 -33.805 0.096 23.019 1.00 20.00 H new ATOM 0 HA ALA A 50 -36.590 0.074 23.009 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -36.370 2.007 24.526 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -35.220 0.710 24.932 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -34.657 2.161 24.069 1.00 20.00 H new ATOM 923 N GLU A 51 -35.269 2.593 21.344 1.00 20.00 N ATOM 924 CA GLU A 51 -35.559 3.629 20.365 1.00 20.00 C ATOM 925 C GLU A 51 -35.988 3.012 19.041 1.00 20.00 C ATOM 926 O GLU A 51 -36.776 3.596 18.296 1.00 20.00 O ATOM 927 CB GLU A 51 -34.342 4.529 20.150 1.00 20.00 C ATOM 928 CG GLU A 51 -33.916 5.296 21.392 1.00 20.00 C ATOM 929 CD GLU A 51 -32.941 6.409 21.074 1.00 20.00 C ATOM 930 OE1 GLU A 51 -33.387 7.473 20.599 1.00 20.00 O ATOM 931 OE2 GLU A 51 -31.727 6.234 21.308 1.00 20.00 O ATOM 0 H GLU A 51 -34.286 2.522 21.605 1.00 20.00 H new ATOM 0 HA GLU A 51 -36.378 4.236 20.752 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -33.507 3.918 19.808 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -34.564 5.240 19.354 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -34.797 5.716 21.877 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -33.459 4.607 22.102 1.00 20.00 H new ATOM 938 N ARG A 52 -35.480 1.820 18.760 1.00 20.00 N ATOM 939 CA ARG A 52 -35.809 1.127 17.523 1.00 20.00 C ATOM 940 C ARG A 52 -37.175 0.463 17.623 1.00 20.00 C ATOM 941 O ARG A 52 -37.896 0.375 16.636 1.00 20.00 O ATOM 942 CB ARG A 52 -34.744 0.086 17.170 1.00 20.00 C ATOM 943 CG ARG A 52 -33.363 0.673 16.913 1.00 20.00 C ATOM 944 CD ARG A 52 -32.494 -0.289 16.119 1.00 20.00 C ATOM 945 NE ARG A 52 -33.052 -0.546 14.792 1.00 20.00 N ATOM 946 CZ ARG A 52 -32.367 -1.074 13.780 1.00 20.00 C ATOM 947 NH1 ARG A 52 -31.098 -1.427 13.936 1.00 20.00 N ATOM 948 NH2 ARG A 52 -32.960 -1.255 12.607 1.00 20.00 N ATOM 0 H ARG A 52 -34.839 1.314 19.371 1.00 20.00 H new ATOM 0 HA ARG A 52 -35.837 1.871 16.727 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -34.674 -0.637 17.983 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -35.065 -0.461 16.284 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -33.460 1.613 16.369 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -32.881 0.903 17.863 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -31.490 0.124 16.019 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -32.399 -1.229 16.663 1.00 20.00 H new ATOM 0 HE ARG A 52 -34.030 -0.305 14.631 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -30.639 -1.295 14.837 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -30.581 -1.831 13.155 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -33.937 -0.990 12.483 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -32.439 -1.659 11.829 1.00 20.00 H new ATOM 962 N PHE A 53 -37.536 0.004 18.815 1.00 20.00 N ATOM 963 CA PHE A 53 -38.841 -0.606 19.029 1.00 20.00 C ATOM 964 C PHE A 53 -39.934 0.439 18.853 1.00 20.00 C ATOM 965 O PHE A 53 -41.000 0.159 18.304 1.00 20.00 O ATOM 966 CB PHE A 53 -38.930 -1.240 20.420 1.00 20.00 C ATOM 967 CG PHE A 53 -40.221 -1.974 20.660 1.00 20.00 C ATOM 968 CD1 PHE A 53 -40.374 -3.287 20.243 1.00 20.00 C ATOM 969 CD2 PHE A 53 -41.283 -1.349 21.296 1.00 20.00 C ATOM 970 CE1 PHE A 53 -41.560 -3.961 20.455 1.00 20.00 C ATOM 971 CE2 PHE A 53 -42.471 -2.020 21.511 1.00 20.00 C ATOM 972 CZ PHE A 53 -42.610 -3.327 21.090 1.00 20.00 C ATOM 0 H PHE A 53 -36.945 0.043 19.645 1.00 20.00 H new ATOM 0 HA PHE A 53 -38.978 -1.396 18.291 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -38.098 -1.932 20.550 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -38.818 -0.461 21.174 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -39.556 -3.788 19.747 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -41.180 -0.326 21.627 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -41.667 -4.984 20.124 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -43.290 -1.522 22.008 1.00 20.00 H new ATOM 0 HZ PHE A 53 -43.538 -3.853 21.257 1.00 20.00 H new ATOM 982 N ALA A 54 -39.654 1.651 19.315 1.00 20.00 N ATOM 983 CA ALA A 54 -40.557 2.774 19.120 1.00 20.00 C ATOM 984 C ALA A 54 -40.636 3.131 17.642 1.00 20.00 C ATOM 985 O ALA A 54 -41.648 3.636 17.157 1.00 20.00 O ATOM 986 CB ALA A 54 -40.092 3.969 19.935 1.00 20.00 C ATOM 0 H ALA A 54 -38.804 1.880 19.830 1.00 20.00 H new ATOM 0 HA ALA A 54 -41.553 2.491 19.462 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -40.776 4.803 19.780 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -40.076 3.704 20.992 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -39.090 4.258 19.618 1.00 20.00 H new ATOM 992 N LYS A 55 -39.556 2.844 16.927 1.00 20.00 N ATOM 993 CA LYS A 55 -39.494 3.092 15.497 1.00 20.00 C ATOM 994 C LYS A 55 -40.229 1.991 14.736 1.00 20.00 C ATOM 995 O LYS A 55 -40.748 2.222 13.650 1.00 20.00 O ATOM 996 CB LYS A 55 -38.035 3.183 15.038 1.00 20.00 C ATOM 997 CG LYS A 55 -37.867 3.618 13.588 1.00 20.00 C ATOM 998 CD LYS A 55 -38.474 4.988 13.343 1.00 20.00 C ATOM 999 CE LYS A 55 -38.206 5.476 11.929 1.00 20.00 C ATOM 1000 NZ LYS A 55 -36.760 5.708 11.683 1.00 20.00 N ATOM 0 H LYS A 55 -38.707 2.437 17.319 1.00 20.00 H new ATOM 0 HA LYS A 55 -39.983 4.043 15.284 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -37.506 3.886 15.681 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -37.562 2.210 15.172 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -36.807 3.638 13.334 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -38.339 2.887 12.931 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -39.549 4.946 13.516 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -38.064 5.701 14.058 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -38.582 4.743 11.216 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -38.756 6.401 11.755 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -36.641 6.271 10.816 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -36.349 6.222 12.488 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -36.276 4.794 11.572 1.00 20.00 H new ATOM 1014 N MET A 56 -40.295 0.801 15.335 1.00 20.00 N ATOM 1015 CA MET A 56 -40.987 -0.342 14.730 1.00 20.00 C ATOM 1016 C MET A 56 -42.474 -0.057 14.579 1.00 20.00 C ATOM 1017 O MET A 56 -43.176 -0.740 13.835 1.00 20.00 O ATOM 1018 CB MET A 56 -40.808 -1.612 15.569 1.00 20.00 C ATOM 1019 CG MET A 56 -39.385 -2.143 15.618 1.00 20.00 C ATOM 1020 SD MET A 56 -39.244 -3.607 16.662 1.00 20.00 S ATOM 1021 CE MET A 56 -37.484 -3.913 16.579 1.00 20.00 C ATOM 0 H MET A 56 -39.876 0.602 16.243 1.00 20.00 H new ATOM 0 HA MET A 56 -40.543 -0.500 13.747 1.00 20.00 H new ATOM 0 HB2 MET A 56 -41.141 -1.409 16.587 1.00 20.00 H new ATOM 0 HB3 MET A 56 -41.459 -2.390 15.170 1.00 20.00 H new ATOM 0 HG2 MET A 56 -39.054 -2.385 14.608 1.00 20.00 H new ATOM 0 HG3 MET A 56 -38.721 -1.365 15.994 1.00 20.00 H new ATOM 0 HE1 MET A 56 -37.239 -4.791 17.177 1.00 20.00 H new ATOM 0 HE2 MET A 56 -37.193 -4.087 15.543 1.00 20.00 H new ATOM 0 HE3 MET A 56 -36.946 -3.048 16.966 1.00 20.00 H new ATOM 1031 N ARG A 57 -42.952 0.946 15.307 1.00 20.00 N ATOM 1032 CA ARG A 57 -44.335 1.386 15.200 1.00 20.00 C ATOM 1033 C ARG A 57 -44.638 1.793 13.758 1.00 20.00 C ATOM 1034 O ARG A 57 -45.731 1.558 13.242 1.00 20.00 O ATOM 1035 CB ARG A 57 -44.574 2.563 16.149 1.00 20.00 C ATOM 1036 CG ARG A 57 -46.016 3.037 16.205 1.00 20.00 C ATOM 1037 CD ARG A 57 -46.165 4.217 17.151 1.00 20.00 C ATOM 1038 NE ARG A 57 -47.545 4.685 17.243 1.00 20.00 N ATOM 1039 CZ ARG A 57 -47.952 5.641 18.078 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -47.082 6.228 18.896 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -49.227 6.004 18.100 1.00 20.00 N ATOM 0 H ARG A 57 -42.396 1.472 15.982 1.00 20.00 H new ATOM 0 HA ARG A 57 -45.000 0.568 15.479 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -44.259 2.276 17.152 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -43.941 3.396 15.843 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -46.348 3.322 15.207 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -46.659 2.220 16.533 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -45.814 3.931 18.143 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -45.529 5.034 16.811 1.00 20.00 H new ATOM 0 HE ARG A 57 -48.239 4.255 16.632 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -46.102 5.947 18.885 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -47.395 6.959 19.534 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -49.897 5.552 17.478 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -49.538 6.736 18.739 1.00 20.00 H new