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= -1.04 K(o=-1,f=-0.52) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -80:sc= 0.0861 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.103 K(o=-0.1,f=0.55) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0237 (180deg=-0.143) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.024 (180deg=-0.22) USER MOD Single : A 56 MET CE :methyl 152:sc= -0.0452 (180deg=-0.389) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -29.854 -0.372 -0.304 1.00 20.00 N ATOM 365 CA GLU A 16 -29.844 -1.827 -0.334 1.00 20.00 C ATOM 366 C GLU A 16 -28.602 -2.394 0.338 1.00 20.00 C ATOM 367 O GLU A 16 -28.690 -3.355 1.097 1.00 20.00 O ATOM 368 CB GLU A 16 -29.941 -2.330 -1.774 1.00 20.00 C ATOM 369 CG GLU A 16 -31.275 -2.017 -2.433 1.00 20.00 C ATOM 370 CD GLU A 16 -32.449 -2.566 -1.650 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.700 -3.787 -1.726 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.129 -1.780 -0.957 1.00 20.00 O ATOM 0 HA GLU A 16 -30.713 -2.174 0.225 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -29.140 -1.883 -2.362 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -29.782 -3.408 -1.786 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.383 -0.937 -2.534 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.286 -2.434 -3.440 1.00 20.00 H new ATOM 379 N GLN A 17 -27.452 -1.782 0.083 1.00 20.00 N ATOM 380 CA GLN A 17 -26.185 -2.265 0.634 1.00 20.00 C ATOM 381 C GLN A 17 -26.186 -2.222 2.161 1.00 20.00 C ATOM 382 O GLN A 17 -25.487 -2.996 2.811 1.00 20.00 O ATOM 383 CB GLN A 17 -25.005 -1.448 0.101 1.00 20.00 C ATOM 384 CG GLN A 17 -24.593 -1.768 -1.335 1.00 20.00 C ATOM 385 CD GLN A 17 -25.670 -1.461 -2.358 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.762 -0.344 -2.863 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.484 -2.453 -2.685 1.00 20.00 N ATOM 0 H GLN A 17 -27.367 -0.950 -0.501 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.074 -3.301 0.314 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.258 -0.390 0.163 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.147 -1.609 0.754 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.696 -1.200 -1.582 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.330 -2.824 -1.402 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.377 -3.367 -2.245 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.218 -2.303 -3.377 1.00 20.00 H new ATOM 396 N GLU A 18 -26.991 -1.333 2.726 1.00 20.00 N ATOM 397 CA GLU A 18 -27.031 -1.157 4.171 1.00 20.00 C ATOM 398 C GLU A 18 -27.891 -2.240 4.824 1.00 20.00 C ATOM 399 O GLU A 18 -27.621 -2.672 5.942 1.00 20.00 O ATOM 400 CB GLU A 18 -27.568 0.241 4.517 1.00 20.00 C ATOM 401 CG GLU A 18 -27.459 0.606 5.992 1.00 20.00 C ATOM 402 CD GLU A 18 -27.980 1.999 6.281 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.434 2.970 5.716 1.00 20.00 O ATOM 404 OE2 GLU A 18 -28.933 2.132 7.077 1.00 20.00 O ATOM 0 H GLU A 18 -27.624 -0.724 2.207 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.017 -1.249 4.561 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.025 0.982 3.930 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.614 0.301 4.216 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.017 -0.118 6.585 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.417 0.538 6.304 1.00 20.00 H new ATOM 411 N ASN A 19 -28.928 -2.675 4.120 1.00 20.00 N ATOM 412 CA ASN A 19 -29.841 -3.694 4.647 1.00 20.00 C ATOM 413 C ASN A 19 -29.420 -5.106 4.250 1.00 20.00 C ATOM 414 O ASN A 19 -29.781 -6.077 4.910 1.00 20.00 O ATOM 415 CB ASN A 19 -31.271 -3.428 4.176 1.00 20.00 C ATOM 416 CG ASN A 19 -31.952 -2.337 4.980 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.622 -2.616 5.974 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.783 -1.089 4.567 1.00 20.00 N ATOM 0 H ASN A 19 -29.162 -2.342 3.185 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.798 -3.628 5.734 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.257 -3.145 3.124 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.852 -4.347 4.251 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.216 -0.320 5.078 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.220 -0.898 3.738 1.00 20.00 H new ATOM 425 N SER A 20 -28.646 -5.218 3.183 1.00 20.00 N ATOM 426 CA SER A 20 -28.265 -6.518 2.638 1.00 20.00 C ATOM 427 C SER A 20 -27.155 -7.180 3.447 1.00 20.00 C ATOM 428 O SER A 20 -26.814 -8.334 3.203 1.00 20.00 O ATOM 429 CB SER A 20 -27.838 -6.381 1.178 1.00 20.00 C ATOM 430 OG SER A 20 -26.896 -5.339 1.028 1.00 20.00 O ATOM 0 H SER A 20 -28.266 -4.421 2.672 1.00 20.00 H new ATOM 0 HA SER A 20 -29.144 -7.160 2.699 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.407 -7.320 0.830 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.711 -6.181 0.556 1.00 20.00 H new ATOM 0 HG SER A 20 -27.362 -4.477 1.010 1.00 20.00 H new ATOM 436 N TYR A 21 -26.578 -6.433 4.386 1.00 20.00 N ATOM 437 CA TYR A 21 -25.444 -6.905 5.189 1.00 20.00 C ATOM 438 C TYR A 21 -25.670 -8.318 5.743 1.00 20.00 C ATOM 439 O TYR A 21 -24.748 -9.128 5.785 1.00 20.00 O ATOM 440 CB TYR A 21 -25.168 -5.931 6.347 1.00 20.00 C ATOM 441 CG TYR A 21 -26.191 -5.987 7.468 1.00 20.00 C ATOM 442 CD1 TYR A 21 -27.430 -5.372 7.342 1.00 20.00 C ATOM 443 CD2 TYR A 21 -25.916 -6.664 8.652 1.00 20.00 C ATOM 444 CE1 TYR A 21 -28.363 -5.430 8.358 1.00 20.00 C ATOM 445 CE2 TYR A 21 -26.845 -6.726 9.672 1.00 20.00 C ATOM 446 CZ TYR A 21 -28.066 -6.107 9.520 1.00 20.00 C ATOM 447 OH TYR A 21 -28.995 -6.170 10.535 1.00 20.00 O ATOM 0 H TYR A 21 -26.880 -5.486 4.614 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.579 -6.945 4.527 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.182 -6.145 6.760 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.134 -4.916 5.952 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -27.668 -4.839 6.433 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.959 -7.150 8.776 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -29.322 -4.947 8.242 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -26.615 -7.257 10.584 1.00 20.00 H new ATOM 0 HH TYR A 21 -28.628 -6.686 11.283 1.00 20.00 H new ATOM 457 N ASN A 22 -26.895 -8.611 6.162 1.00 20.00 N ATOM 458 CA ASN A 22 -27.211 -9.914 6.745 1.00 20.00 C ATOM 459 C ASN A 22 -27.582 -10.923 5.665 1.00 20.00 C ATOM 460 O ASN A 22 -27.448 -12.132 5.855 1.00 20.00 O ATOM 461 CB ASN A 22 -28.354 -9.785 7.758 1.00 20.00 C ATOM 462 CG ASN A 22 -29.619 -9.206 7.148 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.791 -7.991 7.097 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.514 -10.067 6.690 1.00 20.00 N ATOM 0 H ASN A 22 -27.685 -7.968 6.110 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.320 -10.275 7.259 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.575 -10.767 8.177 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.031 -9.151 8.584 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -31.383 -9.728 6.277 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.335 -11.069 6.750 1.00 20.00 H new ATOM 471 N GLU A 23 -28.035 -10.417 4.533 1.00 20.00 N ATOM 472 CA GLU A 23 -28.444 -11.258 3.420 1.00 20.00 C ATOM 473 C GLU A 23 -27.230 -11.792 2.679 1.00 20.00 C ATOM 474 O GLU A 23 -27.149 -12.981 2.377 1.00 20.00 O ATOM 475 CB GLU A 23 -29.343 -10.474 2.467 1.00 20.00 C ATOM 476 CG GLU A 23 -30.672 -10.083 3.086 1.00 20.00 C ATOM 477 CD GLU A 23 -31.540 -11.286 3.387 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.238 -12.026 4.345 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.526 -11.505 2.656 1.00 20.00 O ATOM 0 H GLU A 23 -28.130 -9.417 4.358 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.006 -12.104 3.816 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.821 -9.573 2.144 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.527 -11.073 1.575 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.492 -9.528 4.007 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.203 -9.414 2.409 1.00 20.00 H new ATOM 486 N TRP A 24 -26.278 -10.913 2.404 1.00 20.00 N ATOM 487 CA TRP A 24 -25.052 -11.319 1.742 1.00 20.00 C ATOM 488 C TRP A 24 -24.223 -12.183 2.685 1.00 20.00 C ATOM 489 O TRP A 24 -23.402 -12.991 2.253 1.00 20.00 O ATOM 490 CB TRP A 24 -24.247 -10.104 1.272 1.00 20.00 C ATOM 491 CG TRP A 24 -23.099 -10.482 0.389 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.776 -10.482 0.718 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.178 -10.938 -0.966 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.026 -10.905 -0.350 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.862 -11.189 -1.396 1.00 20.00 C ATOM 496 CE3 TRP A 24 -24.232 -11.152 -1.857 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -21.574 -11.651 -2.678 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.945 -11.610 -3.129 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.626 -11.854 -3.529 1.00 20.00 C ATOM 0 H TRP A 24 -26.332 -9.919 2.628 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.311 -11.902 0.858 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.906 -9.422 0.734 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.870 -9.564 2.141 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.377 -10.192 1.679 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.010 -10.994 -0.363 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -25.252 -10.963 -1.558 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -20.558 -11.842 -2.989 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -24.752 -11.782 -3.826 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.435 -12.210 -4.531 1.00 20.00 H new ATOM 510 N LEU A 25 -24.464 -12.020 3.979 1.00 20.00 N ATOM 511 CA LEU A 25 -23.834 -12.859 4.982 1.00 20.00 C ATOM 512 C LEU A 25 -24.322 -14.297 4.822 1.00 20.00 C ATOM 513 O LEU A 25 -23.553 -15.248 4.953 1.00 20.00 O ATOM 514 CB LEU A 25 -24.149 -12.331 6.386 1.00 20.00 C ATOM 515 CG LEU A 25 -23.438 -13.042 7.538 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.926 -12.937 7.388 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.880 -12.456 8.870 1.00 20.00 C ATOM 0 H LEU A 25 -25.093 -11.312 4.357 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.753 -12.837 4.846 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.891 -11.273 6.422 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.225 -12.403 6.548 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.710 -14.097 7.511 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.441 -13.450 8.219 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.621 -13.398 6.449 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.632 -11.887 7.389 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.367 -12.971 9.682 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.634 -11.395 8.900 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.957 -12.582 8.984 1.00 20.00 H new ATOM 529 N ARG A 26 -25.605 -14.443 4.500 1.00 20.00 N ATOM 530 CA ARG A 26 -26.182 -15.755 4.236 1.00 20.00 C ATOM 531 C ARG A 26 -25.718 -16.268 2.878 1.00 20.00 C ATOM 532 O ARG A 26 -25.555 -17.473 2.678 1.00 20.00 O ATOM 533 CB ARG A 26 -27.713 -15.703 4.273 1.00 20.00 C ATOM 534 CG ARG A 26 -28.292 -15.291 5.617 1.00 20.00 C ATOM 535 CD ARG A 26 -29.802 -15.487 5.660 1.00 20.00 C ATOM 536 NE ARG A 26 -30.503 -14.701 4.643 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.203 -15.232 3.640 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.233 -16.548 3.460 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.869 -14.440 2.808 1.00 20.00 N ATOM 0 H ARG A 26 -26.263 -13.668 4.416 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.842 -16.435 5.017 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.060 -15.004 3.512 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.105 -16.685 4.007 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.826 -15.876 6.410 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.054 -14.245 5.811 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.031 -16.543 5.519 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.172 -15.210 6.647 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.453 -13.684 4.706 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.718 -17.161 4.092 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -31.771 -16.945 2.690 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.844 -13.429 2.937 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.405 -14.843 2.040 1.00 20.00 H new ATOM 553 N ALA A 27 -25.507 -15.342 1.950 1.00 20.00 N ATOM 554 CA ALA A 27 -24.984 -15.674 0.633 1.00 20.00 C ATOM 555 C ALA A 27 -23.580 -16.242 0.750 1.00 20.00 C ATOM 556 O ALA A 27 -23.195 -17.146 0.010 1.00 20.00 O ATOM 557 CB ALA A 27 -24.982 -14.446 -0.262 1.00 20.00 C ATOM 0 H ALA A 27 -25.692 -14.349 2.088 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.630 -16.429 0.185 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.588 -14.711 -1.243 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.000 -14.072 -0.369 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.356 -13.672 0.183 1.00 20.00 H new ATOM 563 N LYS A 28 -22.824 -15.698 1.689 1.00 20.00 N ATOM 564 CA LYS A 28 -21.490 -16.188 1.988 1.00 20.00 C ATOM 565 C LYS A 28 -21.570 -17.604 2.551 1.00 20.00 C ATOM 566 O LYS A 28 -20.767 -18.472 2.199 1.00 20.00 O ATOM 567 CB LYS A 28 -20.800 -15.251 2.987 1.00 20.00 C ATOM 568 CG LYS A 28 -19.426 -15.719 3.432 1.00 20.00 C ATOM 569 CD LYS A 28 -18.823 -14.764 4.449 1.00 20.00 C ATOM 570 CE LYS A 28 -17.475 -15.257 4.958 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.482 -15.395 3.861 1.00 20.00 N ATOM 0 H LYS A 28 -23.117 -14.907 2.263 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.903 -16.211 1.070 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.707 -14.263 2.536 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.436 -15.142 3.865 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.501 -16.716 3.866 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.767 -15.797 2.567 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.703 -13.780 3.997 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.508 -14.647 5.289 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.094 -14.562 5.706 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.604 -16.219 5.453 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.539 -15.567 4.266 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.748 -16.194 3.251 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.463 -14.521 3.298 1.00 20.00 H new ATOM 585 N VAL A 29 -22.556 -17.828 3.414 1.00 20.00 N ATOM 586 CA VAL A 29 -22.774 -19.133 4.024 1.00 20.00 C ATOM 587 C VAL A 29 -23.201 -20.167 2.983 1.00 20.00 C ATOM 588 O VAL A 29 -22.578 -21.222 2.849 1.00 20.00 O ATOM 589 CB VAL A 29 -23.844 -19.062 5.139 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.184 -20.452 5.657 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.368 -18.174 6.277 1.00 20.00 C ATOM 0 H VAL A 29 -23.222 -17.114 3.708 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.824 -19.439 4.462 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.748 -18.628 4.713 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.938 -20.374 6.440 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.571 -21.060 4.840 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.287 -20.919 6.063 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.133 -18.135 7.053 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.447 -18.581 6.695 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.182 -17.168 5.900 1.00 20.00 H new ATOM 772 N HIS A 42 -23.983 -7.005 -5.309 1.00 20.00 N ATOM 773 CA HIS A 42 -23.948 -5.598 -4.936 1.00 20.00 C ATOM 774 C HIS A 42 -22.899 -5.358 -3.859 1.00 20.00 C ATOM 775 O HIS A 42 -22.638 -4.220 -3.472 1.00 20.00 O ATOM 776 CB HIS A 42 -25.322 -5.115 -4.467 1.00 20.00 C ATOM 777 CG HIS A 42 -26.329 -4.988 -5.573 1.00 20.00 C ATOM 778 ND1 HIS A 42 -26.538 -3.817 -6.268 1.00 20.00 N ATOM 779 CD2 HIS A 42 -27.182 -5.893 -6.106 1.00 20.00 C ATOM 780 CE1 HIS A 42 -27.472 -4.006 -7.179 1.00 20.00 C ATOM 781 NE2 HIS A 42 -27.879 -5.257 -7.104 1.00 20.00 N ATOM 0 HA HIS A 42 -23.676 -5.022 -5.821 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -25.704 -5.808 -3.718 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -25.209 -4.147 -3.978 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -27.294 -6.924 -5.803 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -27.841 -3.262 -7.869 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -28.595 -5.684 -7.692 1.00 20.00 H new ATOM 790 N ASP A 43 -22.294 -6.447 -3.392 1.00 20.00 N ATOM 791 CA ASP A 43 -21.168 -6.373 -2.462 1.00 20.00 C ATOM 792 C ASP A 43 -20.031 -5.557 -3.070 1.00 20.00 C ATOM 793 O ASP A 43 -19.345 -4.809 -2.379 1.00 20.00 O ATOM 794 CB ASP A 43 -20.680 -7.783 -2.109 1.00 20.00 C ATOM 795 CG ASP A 43 -19.343 -7.790 -1.392 1.00 20.00 C ATOM 796 OD1 ASP A 43 -19.314 -7.609 -0.157 1.00 20.00 O ATOM 797 OD2 ASP A 43 -18.309 -8.007 -2.060 1.00 20.00 O ATOM 0 H ASP A 43 -22.566 -7.397 -3.644 1.00 20.00 H new ATOM 0 HA ASP A 43 -21.501 -5.879 -1.549 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -21.425 -8.272 -1.481 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -20.598 -8.372 -3.023 1.00 20.00 H new ATOM 802 N GLU A 44 -19.867 -5.692 -4.380 1.00 20.00 N ATOM 803 CA GLU A 44 -18.847 -4.956 -5.110 1.00 20.00 C ATOM 804 C GLU A 44 -19.150 -3.462 -5.085 1.00 20.00 C ATOM 805 O GLU A 44 -18.255 -2.634 -4.917 1.00 20.00 O ATOM 806 CB GLU A 44 -18.781 -5.457 -6.552 1.00 20.00 C ATOM 807 CG GLU A 44 -17.749 -4.744 -7.399 1.00 20.00 C ATOM 808 CD GLU A 44 -17.770 -5.210 -8.834 1.00 20.00 C ATOM 809 OE1 GLU A 44 -17.145 -6.248 -9.140 1.00 20.00 O ATOM 810 OE2 GLU A 44 -18.410 -4.542 -9.670 1.00 20.00 O ATOM 0 H GLU A 44 -20.433 -6.310 -4.961 1.00 20.00 H new ATOM 0 HA GLU A 44 -17.882 -5.120 -4.631 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -18.559 -6.524 -6.546 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -19.761 -5.338 -7.013 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -17.932 -3.670 -7.365 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -16.757 -4.912 -6.979 1.00 20.00 H new ATOM 817 N VAL A 45 -20.423 -3.131 -5.238 1.00 20.00 N ATOM 818 CA VAL A 45 -20.867 -1.746 -5.210 1.00 20.00 C ATOM 819 C VAL A 45 -20.607 -1.138 -3.837 1.00 20.00 C ATOM 820 O VAL A 45 -20.127 -0.008 -3.726 1.00 20.00 O ATOM 821 CB VAL A 45 -22.366 -1.634 -5.559 1.00 20.00 C ATOM 822 CG1 VAL A 45 -22.841 -0.192 -5.480 1.00 20.00 C ATOM 823 CG2 VAL A 45 -22.630 -2.208 -6.942 1.00 20.00 C ATOM 0 H VAL A 45 -21.172 -3.808 -5.384 1.00 20.00 H new ATOM 0 HA VAL A 45 -20.300 -1.196 -5.961 1.00 20.00 H new ATOM 0 HB VAL A 45 -22.929 -2.212 -4.826 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -23.901 -0.144 -5.731 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -22.690 0.186 -4.469 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -22.273 0.417 -6.184 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -23.691 -2.122 -7.175 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -22.050 -1.656 -7.682 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -22.338 -3.258 -6.962 1.00 20.00 H new ATOM 833 N GLU A 46 -20.904 -1.908 -2.798 1.00 20.00 N ATOM 834 CA GLU A 46 -20.645 -1.486 -1.425 1.00 20.00 C ATOM 835 C GLU A 46 -19.146 -1.281 -1.234 1.00 20.00 C ATOM 836 O GLU A 46 -18.720 -0.346 -0.572 1.00 20.00 O ATOM 837 CB GLU A 46 -21.179 -2.533 -0.434 1.00 20.00 C ATOM 838 CG GLU A 46 -21.484 -2.003 0.968 1.00 20.00 C ATOM 839 CD GLU A 46 -20.250 -1.700 1.796 1.00 20.00 C ATOM 840 OE1 GLU A 46 -19.519 -2.648 2.152 1.00 20.00 O ATOM 841 OE2 GLU A 46 -20.012 -0.515 2.114 1.00 20.00 O ATOM 0 H GLU A 46 -21.327 -2.833 -2.880 1.00 20.00 H new ATOM 0 HA GLU A 46 -21.161 -0.545 -1.233 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -22.089 -2.970 -0.846 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -20.448 -3.337 -0.350 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -22.081 -1.096 0.880 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -22.093 -2.736 1.497 1.00 20.00 H new ATOM 848 N ARG A 47 -18.353 -2.146 -1.856 1.00 20.00 N ATOM 849 CA ARG A 47 -16.900 -2.073 -1.744 1.00 20.00 C ATOM 850 C ARG A 47 -16.366 -0.804 -2.404 1.00 20.00 C ATOM 851 O ARG A 47 -15.363 -0.237 -1.965 1.00 20.00 O ATOM 852 CB ARG A 47 -16.252 -3.310 -2.377 1.00 20.00 C ATOM 853 CG ARG A 47 -14.847 -3.599 -1.864 1.00 20.00 C ATOM 854 CD ARG A 47 -14.838 -3.799 -0.353 1.00 20.00 C ATOM 855 NE ARG A 47 -15.863 -4.753 0.070 1.00 20.00 N ATOM 856 CZ ARG A 47 -16.941 -4.429 0.785 1.00 20.00 C ATOM 857 NH1 ARG A 47 -17.096 -3.192 1.245 1.00 20.00 N ATOM 858 NH2 ARG A 47 -17.855 -5.348 1.056 1.00 20.00 N ATOM 0 H ARG A 47 -18.692 -2.907 -2.444 1.00 20.00 H new ATOM 0 HA ARG A 47 -16.643 -2.044 -0.685 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -16.884 -4.177 -2.186 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -16.213 -3.175 -3.458 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -14.456 -4.491 -2.353 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -14.185 -2.774 -2.128 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -13.857 -4.155 -0.038 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -15.004 -2.842 0.142 1.00 20.00 H new ATOM 0 HE ARG A 47 -15.746 -5.730 -0.199 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -16.388 -2.484 1.052 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -17.923 -2.951 1.791 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -17.734 -6.303 0.718 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -18.680 -5.101 1.603 1.00 20.00 H new ATOM 872 N ARG A 48 -17.039 -0.358 -3.456 1.00 20.00 N ATOM 873 CA ARG A 48 -16.646 0.865 -4.145 1.00 20.00 C ATOM 874 C ARG A 48 -17.109 2.082 -3.353 1.00 20.00 C ATOM 875 O ARG A 48 -16.375 3.059 -3.199 1.00 20.00 O ATOM 876 CB ARG A 48 -17.230 0.915 -5.561 1.00 20.00 C ATOM 877 CG ARG A 48 -16.808 -0.244 -6.458 1.00 20.00 C ATOM 878 CD ARG A 48 -15.297 -0.363 -6.566 1.00 20.00 C ATOM 879 NE ARG A 48 -14.681 0.830 -7.144 1.00 20.00 N ATOM 880 CZ ARG A 48 -13.364 1.032 -7.197 1.00 20.00 C ATOM 881 NH1 ARG A 48 -12.532 0.125 -6.704 1.00 20.00 N ATOM 882 NH2 ARG A 48 -12.885 2.140 -7.748 1.00 20.00 N ATOM 0 H ARG A 48 -17.857 -0.822 -3.850 1.00 20.00 H new ATOM 0 HA ARG A 48 -15.559 0.874 -4.223 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -18.318 0.928 -5.492 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -16.930 1.851 -6.032 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -17.217 -1.174 -6.064 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -17.232 -0.105 -7.452 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -14.878 -0.541 -5.575 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -15.047 -1.230 -7.178 1.00 20.00 H new ATOM 0 HE ARG A 48 -15.294 1.549 -7.529 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -12.899 -0.729 -6.283 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -11.525 0.281 -6.745 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -13.524 2.837 -8.131 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -11.878 2.295 -7.789 1.00 20.00 H new ATOM 896 N MET A 49 -18.327 2.003 -2.836 1.00 20.00 N ATOM 897 CA MET A 49 -18.920 3.102 -2.086 1.00 20.00 C ATOM 898 C MET A 49 -18.338 3.200 -0.681 1.00 20.00 C ATOM 899 O MET A 49 -18.442 4.242 -0.036 1.00 20.00 O ATOM 900 CB MET A 49 -20.436 2.937 -2.011 1.00 20.00 C ATOM 901 CG MET A 49 -21.130 3.095 -3.350 1.00 20.00 C ATOM 902 SD MET A 49 -20.861 4.719 -4.085 1.00 20.00 S ATOM 903 CE MET A 49 -21.822 4.568 -5.590 1.00 20.00 C ATOM 0 H MET A 49 -18.928 1.183 -2.923 1.00 20.00 H new ATOM 0 HA MET A 49 -18.684 4.026 -2.614 1.00 20.00 H new ATOM 0 HB2 MET A 49 -20.666 1.952 -1.606 1.00 20.00 H new ATOM 0 HB3 MET A 49 -20.839 3.671 -1.313 1.00 20.00 H new ATOM 0 HG2 MET A 49 -20.770 2.327 -4.034 1.00 20.00 H new ATOM 0 HG3 MET A 49 -22.200 2.931 -3.222 1.00 20.00 H new ATOM 0 HE1 MET A 49 -21.756 5.496 -6.158 1.00 20.00 H new ATOM 0 HE2 MET A 49 -21.431 3.746 -6.190 1.00 20.00 H new ATOM 0 HE3 MET A 49 -22.864 4.370 -5.338 1.00 20.00 H new ATOM 913 N ALA A 50 -17.733 2.114 -0.210 1.00 20.00 N ATOM 914 CA ALA A 50 -17.109 2.080 1.110 1.00 20.00 C ATOM 915 C ALA A 50 -16.063 3.174 1.250 1.00 20.00 C ATOM 916 O ALA A 50 -15.940 3.808 2.300 1.00 20.00 O ATOM 917 CB ALA A 50 -16.478 0.721 1.362 1.00 20.00 C ATOM 0 H ALA A 50 -17.661 1.238 -0.728 1.00 20.00 H new ATOM 0 HA ALA A 50 -17.887 2.254 1.853 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -16.017 0.711 2.350 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -17.245 -0.051 1.312 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -15.718 0.527 0.605 1.00 20.00 H new ATOM 923 N GLU A 51 -15.324 3.405 0.175 1.00 20.00 N ATOM 924 CA GLU A 51 -14.275 4.412 0.170 1.00 20.00 C ATOM 925 C GLU A 51 -14.883 5.812 0.212 1.00 20.00 C ATOM 926 O GLU A 51 -14.290 6.744 0.751 1.00 20.00 O ATOM 927 CB GLU A 51 -13.388 4.244 -1.065 1.00 20.00 C ATOM 928 CG GLU A 51 -12.736 2.871 -1.163 1.00 20.00 C ATOM 929 CD GLU A 51 -11.855 2.725 -2.385 1.00 20.00 C ATOM 930 OE1 GLU A 51 -12.396 2.639 -3.507 1.00 20.00 O ATOM 931 OE2 GLU A 51 -10.617 2.676 -2.229 1.00 20.00 O ATOM 0 H GLU A 51 -15.433 2.906 -0.708 1.00 20.00 H new ATOM 0 HA GLU A 51 -13.657 4.281 1.058 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -13.987 4.418 -1.959 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -12.610 5.007 -1.050 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -12.140 2.692 -0.268 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -13.512 2.106 -1.187 1.00 20.00 H new ATOM 938 N ARG A 52 -16.085 5.940 -0.339 1.00 20.00 N ATOM 939 CA ARG A 52 -16.812 7.203 -0.326 1.00 20.00 C ATOM 940 C ARG A 52 -17.474 7.420 1.032 1.00 20.00 C ATOM 941 O ARG A 52 -17.655 8.553 1.474 1.00 20.00 O ATOM 942 CB ARG A 52 -17.882 7.213 -1.423 1.00 20.00 C ATOM 943 CG ARG A 52 -18.699 8.499 -1.470 1.00 20.00 C ATOM 944 CD ARG A 52 -19.935 8.355 -2.346 1.00 20.00 C ATOM 945 NE ARG A 52 -20.862 7.345 -1.830 1.00 20.00 N ATOM 946 CZ ARG A 52 -22.162 7.296 -2.127 1.00 20.00 C ATOM 947 NH1 ARG A 52 -22.722 8.242 -2.872 1.00 20.00 N ATOM 948 NH2 ARG A 52 -22.907 6.311 -1.648 1.00 20.00 N ATOM 0 H ARG A 52 -16.579 5.178 -0.803 1.00 20.00 H new ATOM 0 HA ARG A 52 -16.102 8.009 -0.511 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -17.400 7.063 -2.389 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -18.556 6.370 -1.269 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -19.001 8.775 -0.459 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -18.078 9.310 -1.850 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -20.446 9.316 -2.412 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -19.632 8.085 -3.358 1.00 20.00 H new ATOM 0 HE ARG A 52 -20.489 6.632 -1.203 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -22.157 9.016 -3.223 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -23.717 8.195 -3.093 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -22.486 5.595 -1.055 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -23.901 6.268 -1.872 1.00 20.00 H new ATOM 962 N PHE A 53 -17.823 6.317 1.685 1.00 20.00 N ATOM 963 CA PHE A 53 -18.527 6.349 2.964 1.00 20.00 C ATOM 964 C PHE A 53 -17.732 7.125 4.012 1.00 20.00 C ATOM 965 O PHE A 53 -18.305 7.765 4.894 1.00 20.00 O ATOM 966 CB PHE A 53 -18.800 4.923 3.447 1.00 20.00 C ATOM 967 CG PHE A 53 -19.626 4.848 4.702 1.00 20.00 C ATOM 968 CD1 PHE A 53 -20.992 5.087 4.666 1.00 20.00 C ATOM 969 CD2 PHE A 53 -19.036 4.535 5.916 1.00 20.00 C ATOM 970 CE1 PHE A 53 -21.751 5.015 5.818 1.00 20.00 C ATOM 971 CE2 PHE A 53 -19.792 4.461 7.070 1.00 20.00 C ATOM 972 CZ PHE A 53 -21.151 4.701 7.020 1.00 20.00 C ATOM 0 H PHE A 53 -17.627 5.376 1.344 1.00 20.00 H new ATOM 0 HA PHE A 53 -19.477 6.863 2.819 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -19.310 4.374 2.656 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -17.848 4.421 3.621 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -21.467 5.332 3.728 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -17.973 4.347 5.961 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -22.813 5.204 5.778 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -19.321 4.216 8.010 1.00 20.00 H new ATOM 0 HZ PHE A 53 -21.744 4.643 7.921 1.00 20.00 H new ATOM 982 N ALA A 54 -16.411 7.077 3.894 1.00 20.00 N ATOM 983 CA ALA A 54 -15.530 7.799 4.800 1.00 20.00 C ATOM 984 C ALA A 54 -15.801 9.302 4.745 1.00 20.00 C ATOM 985 O ALA A 54 -15.802 9.980 5.770 1.00 20.00 O ATOM 986 CB ALA A 54 -14.079 7.507 4.460 1.00 20.00 C ATOM 0 H ALA A 54 -15.925 6.542 3.175 1.00 20.00 H new ATOM 0 HA ALA A 54 -15.729 7.459 5.816 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -13.428 8.052 5.144 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -13.891 6.438 4.555 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -13.875 7.821 3.437 1.00 20.00 H new ATOM 992 N LYS A 55 -16.042 9.815 3.546 1.00 20.00 N ATOM 993 CA LYS A 55 -16.337 11.231 3.371 1.00 20.00 C ATOM 994 C LYS A 55 -17.838 11.482 3.501 1.00 20.00 C ATOM 995 O LYS A 55 -18.271 12.581 3.843 1.00 20.00 O ATOM 996 CB LYS A 55 -15.831 11.716 2.011 1.00 20.00 C ATOM 997 CG LYS A 55 -16.005 13.213 1.788 1.00 20.00 C ATOM 998 CD LYS A 55 -15.451 13.646 0.445 1.00 20.00 C ATOM 999 CE LYS A 55 -15.567 15.149 0.249 1.00 20.00 C ATOM 1000 NZ LYS A 55 -14.745 15.907 1.229 1.00 20.00 N ATOM 0 H LYS A 55 -16.039 9.273 2.682 1.00 20.00 H new ATOM 0 HA LYS A 55 -15.823 11.791 4.152 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -14.775 11.464 1.916 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -16.359 11.177 1.224 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -17.063 13.469 1.845 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -15.501 13.761 2.584 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -14.405 13.348 0.369 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -15.987 13.132 -0.353 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -15.254 15.407 -0.763 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -16.611 15.447 0.345 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -14.676 16.900 0.929 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -15.191 15.859 2.167 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -13.792 15.493 1.277 1.00 20.00 H new ATOM 1014 N MET A 56 -18.626 10.448 3.233 1.00 20.00 N ATOM 1015 CA MET A 56 -20.081 10.532 3.334 1.00 20.00 C ATOM 1016 C MET A 56 -20.509 10.702 4.787 1.00 20.00 C ATOM 1017 O MET A 56 -21.584 11.232 5.070 1.00 20.00 O ATOM 1018 CB MET A 56 -20.731 9.280 2.738 1.00 20.00 C ATOM 1019 CG MET A 56 -22.253 9.316 2.742 1.00 20.00 C ATOM 1020 SD MET A 56 -22.928 10.681 1.772 1.00 20.00 S ATOM 1021 CE MET A 56 -22.364 10.252 0.129 1.00 20.00 C ATOM 0 H MET A 56 -18.280 9.534 2.942 1.00 20.00 H new ATOM 0 HA MET A 56 -20.413 11.403 2.769 1.00 20.00 H new ATOM 0 HB2 MET A 56 -20.383 9.154 1.713 1.00 20.00 H new ATOM 0 HB3 MET A 56 -20.396 8.407 3.298 1.00 20.00 H new ATOM 0 HG2 MET A 56 -22.634 8.374 2.348 1.00 20.00 H new ATOM 0 HG3 MET A 56 -22.606 9.398 3.770 1.00 20.00 H new ATOM 0 HE1 MET A 56 -23.056 10.655 -0.610 1.00 20.00 H new ATOM 0 HE2 MET A 56 -21.372 10.672 -0.036 1.00 20.00 H new ATOM 0 HE3 MET A 56 -22.320 9.167 0.031 1.00 20.00 H new ATOM 1031 N ARG A 57 -19.659 10.249 5.702 1.00 20.00 N ATOM 1032 CA ARG A 57 -19.917 10.398 7.127 1.00 20.00 C ATOM 1033 C ARG A 57 -20.061 11.874 7.494 1.00 20.00 C ATOM 1034 O ARG A 57 -20.856 12.230 8.367 1.00 20.00 O ATOM 1035 CB ARG A 57 -18.792 9.750 7.945 1.00 20.00 C ATOM 1036 CG ARG A 57 -18.994 9.854 9.449 1.00 20.00 C ATOM 1037 CD ARG A 57 -17.920 9.096 10.215 1.00 20.00 C ATOM 1038 NE ARG A 57 -16.573 9.571 9.901 1.00 20.00 N ATOM 1039 CZ ARG A 57 -15.456 8.938 10.260 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -15.523 7.820 10.975 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -14.273 9.427 9.903 1.00 20.00 N ATOM 0 H ARG A 57 -18.784 9.775 5.480 1.00 20.00 H new ATOM 0 HA ARG A 57 -20.853 9.892 7.363 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -18.713 8.698 7.669 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -17.845 10.220 7.681 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -18.981 10.903 9.746 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -19.976 9.460 9.712 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -18.099 9.200 11.285 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -17.992 8.034 9.981 1.00 20.00 H new ATOM 0 HE ARG A 57 -16.483 10.440 9.375 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -16.430 7.444 11.250 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -14.667 7.337 11.248 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -14.220 10.286 9.355 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -13.418 8.944 10.177 1.00 20.00 H new