USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=2 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=-0.69) USER MOD Single : A 19 ASN : amide:sc= -0.662 K(o=-0.66,f=0) 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= 0.83 K(o=0.83,f=-7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.017) 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.374 0.909 4.272 1.00 20.00 N ATOM 365 CA GLU A 16 -30.830 0.113 3.137 1.00 20.00 C ATOM 366 C GLU A 16 -29.683 -0.711 2.553 1.00 20.00 C ATOM 367 O GLU A 16 -29.869 -1.868 2.171 1.00 20.00 O ATOM 368 CB GLU A 16 -31.465 1.010 2.066 1.00 20.00 C ATOM 369 CG GLU A 16 -30.561 2.115 1.536 1.00 20.00 C ATOM 370 CD GLU A 16 -31.302 3.069 0.623 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.007 3.960 1.138 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.189 2.929 -0.614 1.00 20.00 O ATOM 0 HA GLU A 16 -31.592 -0.581 3.492 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.779 0.386 1.230 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.365 1.464 2.480 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.139 2.670 2.374 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.726 1.671 0.994 1.00 20.00 H new ATOM 379 N GLN A 17 -28.488 -0.127 2.544 1.00 20.00 N ATOM 380 CA GLN A 17 -27.304 -0.804 2.027 1.00 20.00 C ATOM 381 C GLN A 17 -26.964 -2.036 2.862 1.00 20.00 C ATOM 382 O GLN A 17 -26.417 -3.008 2.343 1.00 20.00 O ATOM 383 CB GLN A 17 -26.107 0.147 1.990 1.00 20.00 C ATOM 384 CG GLN A 17 -26.246 1.272 0.977 1.00 20.00 C ATOM 385 CD GLN A 17 -25.055 2.214 0.987 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.936 1.814 1.308 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.281 3.465 0.617 1.00 20.00 N ATOM 0 H GLN A 17 -28.314 0.817 2.890 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.528 -1.127 1.011 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.968 0.579 2.981 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.208 -0.425 1.762 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.360 0.847 -0.020 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.154 1.837 1.189 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.223 3.758 0.358 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.513 4.136 0.591 1.00 20.00 H new ATOM 396 N GLU A 18 -27.309 -2.004 4.147 1.00 20.00 N ATOM 397 CA GLU A 18 -27.040 -3.134 5.031 1.00 20.00 C ATOM 398 C GLU A 18 -27.769 -4.371 4.532 1.00 20.00 C ATOM 399 O GLU A 18 -27.219 -5.468 4.532 1.00 20.00 O ATOM 400 CB GLU A 18 -27.473 -2.836 6.474 1.00 20.00 C ATOM 401 CG GLU A 18 -27.360 -4.044 7.396 1.00 20.00 C ATOM 402 CD GLU A 18 -27.958 -3.810 8.767 1.00 20.00 C ATOM 403 OE1 GLU A 18 -29.196 -3.674 8.863 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.195 -3.804 9.759 1.00 20.00 O ATOM 0 H GLU A 18 -27.772 -1.214 4.596 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.964 -3.310 5.024 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.861 -2.026 6.870 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.505 -2.484 6.472 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.858 -4.895 6.931 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.309 -4.311 7.507 1.00 20.00 H new ATOM 411 N ASN A 19 -28.997 -4.176 4.073 1.00 20.00 N ATOM 412 CA ASN A 19 -29.829 -5.283 3.618 1.00 20.00 C ATOM 413 C ASN A 19 -29.258 -5.899 2.348 1.00 20.00 C ATOM 414 O ASN A 19 -29.491 -7.072 2.058 1.00 20.00 O ATOM 415 CB ASN A 19 -31.266 -4.820 3.379 1.00 20.00 C ATOM 416 CG ASN A 19 -31.905 -4.253 4.631 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.440 -4.990 5.458 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.864 -2.937 4.778 1.00 20.00 N ATOM 0 H ASN A 19 -29.441 -3.260 4.005 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.836 -6.042 4.400 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.276 -4.063 2.595 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.861 -5.660 3.019 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.285 -2.502 5.599 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.411 -2.359 4.070 1.00 20.00 H new ATOM 425 N SER A 20 -28.498 -5.105 1.609 1.00 20.00 N ATOM 426 CA SER A 20 -27.845 -5.579 0.401 1.00 20.00 C ATOM 427 C SER A 20 -26.712 -6.540 0.758 1.00 20.00 C ATOM 428 O SER A 20 -26.545 -7.585 0.130 1.00 20.00 O ATOM 429 CB SER A 20 -27.311 -4.390 -0.402 1.00 20.00 C ATOM 430 OG SER A 20 -28.324 -3.412 -0.584 1.00 20.00 O ATOM 0 H SER A 20 -28.319 -4.125 1.827 1.00 20.00 H new ATOM 0 HA SER A 20 -28.570 -6.115 -0.211 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.460 -3.948 0.116 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.951 -4.732 -1.372 1.00 20.00 H new ATOM 0 HG SER A 20 -27.963 -2.659 -1.098 1.00 20.00 H new ATOM 436 N TYR A 21 -25.958 -6.193 1.797 1.00 20.00 N ATOM 437 CA TYR A 21 -24.842 -7.020 2.237 1.00 20.00 C ATOM 438 C TYR A 21 -25.346 -8.174 3.093 1.00 20.00 C ATOM 439 O TYR A 21 -24.767 -9.256 3.091 1.00 20.00 O ATOM 440 CB TYR A 21 -23.826 -6.181 3.020 1.00 20.00 C ATOM 441 CG TYR A 21 -23.305 -4.992 2.243 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.639 -5.166 1.037 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.496 -3.696 2.704 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.174 -4.083 0.315 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.038 -2.608 1.987 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.378 -2.808 0.793 1.00 20.00 C ATOM 447 OH TYR A 21 -21.925 -1.727 0.074 1.00 20.00 O ATOM 0 H TYR A 21 -26.100 -5.346 2.348 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.346 -7.428 1.356 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.290 -5.829 3.942 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.987 -6.814 3.307 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.482 -6.165 0.657 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.012 -3.536 3.639 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -21.654 -4.236 -0.619 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.196 -1.607 2.359 1.00 20.00 H new ATOM 0 HH TYR A 21 -22.151 -0.900 0.549 1.00 20.00 H new ATOM 457 N ASN A 22 -26.445 -7.931 3.803 1.00 20.00 N ATOM 458 CA ASN A 22 -27.073 -8.939 4.658 1.00 20.00 C ATOM 459 C ASN A 22 -27.376 -10.198 3.852 1.00 20.00 C ATOM 460 O ASN A 22 -27.213 -11.311 4.342 1.00 20.00 O ATOM 461 CB ASN A 22 -28.366 -8.376 5.274 1.00 20.00 C ATOM 462 CG ASN A 22 -28.931 -9.223 6.410 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.773 -10.441 6.452 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.604 -8.573 7.347 1.00 20.00 N ATOM 0 H ASN A 22 -26.926 -7.031 3.803 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.385 -9.198 5.462 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.171 -7.370 5.646 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.120 -8.286 4.492 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.008 -9.084 8.132 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.718 -7.561 7.284 1.00 20.00 H new ATOM 471 N GLU A 23 -27.789 -10.007 2.604 1.00 20.00 N ATOM 472 CA GLU A 23 -28.108 -11.121 1.722 1.00 20.00 C ATOM 473 C GLU A 23 -26.877 -12.001 1.489 1.00 20.00 C ATOM 474 O GLU A 23 -26.957 -13.227 1.571 1.00 20.00 O ATOM 475 CB GLU A 23 -28.647 -10.601 0.386 1.00 20.00 C ATOM 476 CG GLU A 23 -29.101 -11.702 -0.559 1.00 20.00 C ATOM 477 CD GLU A 23 -29.562 -11.165 -1.897 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.763 -10.863 -2.041 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.722 -11.044 -2.816 1.00 20.00 O ATOM 0 H GLU A 23 -27.911 -9.087 2.180 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.876 -11.727 2.201 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.485 -9.931 0.578 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.872 -10.011 -0.103 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.281 -12.403 -0.716 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.914 -12.261 -0.096 1.00 20.00 H new ATOM 486 N TRP A 24 -25.738 -11.372 1.225 1.00 20.00 N ATOM 487 CA TRP A 24 -24.511 -12.109 0.944 1.00 20.00 C ATOM 488 C TRP A 24 -23.890 -12.639 2.233 1.00 20.00 C ATOM 489 O TRP A 24 -23.349 -13.744 2.265 1.00 20.00 O ATOM 490 CB TRP A 24 -23.512 -11.229 0.189 1.00 20.00 C ATOM 491 CG TRP A 24 -24.045 -10.717 -1.114 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.660 -11.447 -2.090 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.995 -9.368 -1.593 1.00 20.00 C ATOM 494 NE1 TRP A 24 -25.015 -10.632 -3.136 1.00 20.00 N ATOM 495 CE2 TRP A 24 -24.613 -9.352 -2.859 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.494 -8.173 -1.075 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -24.742 -8.187 -3.610 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.623 -7.016 -1.822 1.00 20.00 C ATOM 499 CH2 TRP A 24 -24.242 -7.031 -3.079 1.00 20.00 C ATOM 0 H TRP A 24 -25.638 -10.357 1.200 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.765 -12.960 0.312 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.234 -10.383 0.818 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.602 -11.800 0.003 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.841 -12.511 -2.046 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.500 -10.931 -3.982 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.014 -8.152 -0.108 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -25.220 -8.196 -4.578 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.240 -6.085 -1.430 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -24.326 -6.111 -3.639 1.00 20.00 H new ATOM 510 N LEU A 25 -23.991 -11.858 3.300 1.00 20.00 N ATOM 511 CA LEU A 25 -23.483 -12.274 4.603 1.00 20.00 C ATOM 512 C LEU A 25 -24.307 -13.434 5.147 1.00 20.00 C ATOM 513 O LEU A 25 -23.814 -14.249 5.920 1.00 20.00 O ATOM 514 CB LEU A 25 -23.497 -11.107 5.601 1.00 20.00 C ATOM 515 CG LEU A 25 -22.201 -10.285 5.703 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.056 -11.146 6.219 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.830 -9.659 4.365 1.00 20.00 C ATOM 0 H LEU A 25 -24.420 -10.933 3.290 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.451 -12.600 4.472 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.309 -10.433 5.329 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.730 -11.504 6.589 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.380 -9.478 6.413 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.149 -10.545 6.283 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.307 -11.531 7.207 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.891 -11.979 5.536 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.909 -9.086 4.474 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.682 -10.445 3.624 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -22.632 -8.998 4.038 1.00 20.00 H new ATOM 529 N ARG A 26 -25.561 -13.506 4.721 1.00 20.00 N ATOM 530 CA ARG A 26 -26.454 -14.579 5.132 1.00 20.00 C ATOM 531 C ARG A 26 -26.024 -15.897 4.495 1.00 20.00 C ATOM 532 O ARG A 26 -26.314 -16.974 5.009 1.00 20.00 O ATOM 533 CB ARG A 26 -27.896 -14.247 4.736 1.00 20.00 C ATOM 534 CG ARG A 26 -28.947 -15.083 5.449 1.00 20.00 C ATOM 535 CD ARG A 26 -28.876 -14.902 6.959 1.00 20.00 C ATOM 536 NE ARG A 26 -28.881 -13.489 7.347 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.895 -13.065 8.610 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.924 -13.940 9.607 1.00 20.00 N ATOM 539 NH2 ARG A 26 -28.870 -11.764 8.870 1.00 20.00 N ATOM 0 H ARG A 26 -25.984 -12.829 4.087 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.402 -14.681 6.216 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.084 -13.194 4.943 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.006 -14.385 3.660 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.939 -14.802 5.094 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.806 -16.135 5.201 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.722 -15.408 7.424 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -27.972 -15.378 7.338 1.00 20.00 H new ATOM 0 HE ARG A 26 -28.873 -12.788 6.606 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.936 -14.940 9.408 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.935 -13.612 10.573 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -28.840 -11.091 8.104 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -28.881 -11.437 9.836 1.00 20.00 H new ATOM 553 N ALA A 27 -25.324 -15.803 3.373 1.00 20.00 N ATOM 554 CA ALA A 27 -24.822 -16.982 2.687 1.00 20.00 C ATOM 555 C ALA A 27 -23.468 -17.387 3.245 1.00 20.00 C ATOM 556 O ALA A 27 -23.129 -18.565 3.294 1.00 20.00 O ATOM 557 CB ALA A 27 -24.718 -16.723 1.197 1.00 20.00 C ATOM 0 H ALA A 27 -25.091 -14.920 2.919 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.524 -17.800 2.851 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.341 -17.616 0.698 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.703 -16.475 0.801 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.036 -15.892 1.019 1.00 20.00 H new ATOM 563 N LYS A 28 -22.706 -16.397 3.671 1.00 20.00 N ATOM 564 CA LYS A 28 -21.363 -16.620 4.190 1.00 20.00 C ATOM 565 C LYS A 28 -21.383 -16.833 5.700 1.00 20.00 C ATOM 566 O LYS A 28 -20.333 -16.992 6.320 1.00 20.00 O ATOM 567 CB LYS A 28 -20.459 -15.435 3.849 1.00 20.00 C ATOM 568 CG LYS A 28 -20.313 -15.188 2.355 1.00 20.00 C ATOM 569 CD LYS A 28 -19.497 -13.938 2.075 1.00 20.00 C ATOM 570 CE LYS A 28 -18.056 -14.074 2.551 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.301 -12.806 2.383 1.00 20.00 N ATOM 0 H LYS A 28 -22.996 -15.419 3.669 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.970 -17.522 3.720 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.859 -14.537 4.319 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.472 -15.607 4.278 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.834 -16.049 1.888 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.300 -15.088 1.903 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.507 -13.732 1.005 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.962 -13.084 2.568 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.045 -14.368 3.601 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.562 -14.869 1.993 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.325 -12.936 2.717 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.290 -12.539 1.378 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.759 -12.054 2.936 1.00 20.00 H new ATOM 585 N VAL A 29 -22.582 -16.828 6.279 1.00 20.00 N ATOM 586 CA VAL A 29 -22.750 -16.883 7.732 1.00 20.00 C ATOM 587 C VAL A 29 -22.060 -18.103 8.353 1.00 20.00 C ATOM 588 O VAL A 29 -21.687 -18.082 9.528 1.00 20.00 O ATOM 589 CB VAL A 29 -24.248 -16.865 8.128 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.943 -18.155 7.724 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.410 -16.602 9.618 1.00 20.00 C ATOM 0 H VAL A 29 -23.459 -16.786 5.760 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.269 -15.989 8.129 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.726 -16.050 7.585 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.992 -18.110 8.016 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.872 -18.284 6.644 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.464 -18.998 8.222 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.470 -16.594 9.873 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.907 -17.387 10.183 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.969 -15.637 9.867 1.00 20.00 H new ATOM 772 N HIS A 42 -21.604 -15.820 21.818 1.00 20.00 N ATOM 773 CA HIS A 42 -22.001 -14.493 21.352 1.00 20.00 C ATOM 774 C HIS A 42 -23.282 -14.596 20.545 1.00 20.00 C ATOM 775 O HIS A 42 -23.824 -13.596 20.072 1.00 20.00 O ATOM 776 CB HIS A 42 -20.898 -13.843 20.505 1.00 20.00 C ATOM 777 CG HIS A 42 -19.656 -13.511 21.273 1.00 20.00 C ATOM 778 ND1 HIS A 42 -19.241 -12.218 21.507 1.00 20.00 N ATOM 779 CD2 HIS A 42 -18.730 -14.310 21.853 1.00 20.00 C ATOM 780 CE1 HIS A 42 -18.117 -12.237 22.196 1.00 20.00 C ATOM 781 NE2 HIS A 42 -17.784 -13.492 22.420 1.00 20.00 N ATOM 0 HA HIS A 42 -22.168 -13.862 22.225 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -20.638 -14.515 19.687 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -21.290 -12.931 20.055 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -18.734 -15.390 21.867 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -17.562 -11.370 22.522 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -16.959 -13.805 22.931 1.00 20.00 H new ATOM 790 N ASP A 43 -23.765 -15.824 20.402 1.00 20.00 N ATOM 791 CA ASP A 43 -25.014 -16.090 19.707 1.00 20.00 C ATOM 792 C ASP A 43 -26.190 -15.582 20.527 1.00 20.00 C ATOM 793 O ASP A 43 -27.299 -15.433 20.015 1.00 20.00 O ATOM 794 CB ASP A 43 -25.175 -17.588 19.439 1.00 20.00 C ATOM 795 CG ASP A 43 -24.044 -18.157 18.606 1.00 20.00 C ATOM 796 OD1 ASP A 43 -23.027 -18.577 19.193 1.00 20.00 O ATOM 797 OD2 ASP A 43 -24.167 -18.193 17.363 1.00 20.00 O ATOM 0 H ASP A 43 -23.303 -16.659 20.763 1.00 20.00 H new ATOM 0 HA ASP A 43 -24.992 -15.566 18.752 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -25.224 -18.120 20.389 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -26.121 -17.762 18.927 1.00 20.00 H new ATOM 802 N GLU A 44 -25.930 -15.309 21.803 1.00 20.00 N ATOM 803 CA GLU A 44 -26.937 -14.773 22.710 1.00 20.00 C ATOM 804 C GLU A 44 -27.453 -13.428 22.199 1.00 20.00 C ATOM 805 O GLU A 44 -28.656 -13.171 22.192 1.00 20.00 O ATOM 806 CB GLU A 44 -26.340 -14.619 24.114 1.00 20.00 C ATOM 807 CG GLU A 44 -27.322 -14.115 25.158 1.00 20.00 C ATOM 808 CD GLU A 44 -28.505 -15.043 25.346 1.00 20.00 C ATOM 809 OE1 GLU A 44 -28.298 -16.198 25.771 1.00 20.00 O ATOM 810 OE2 GLU A 44 -29.651 -14.616 25.092 1.00 20.00 O ATOM 0 H GLU A 44 -25.017 -15.453 22.235 1.00 20.00 H new ATOM 0 HA GLU A 44 -27.777 -15.466 22.756 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -25.947 -15.583 24.437 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -25.496 -13.931 24.064 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -26.804 -13.996 26.110 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -27.682 -13.129 24.865 1.00 20.00 H new ATOM 817 N VAL A 45 -26.534 -12.583 21.745 1.00 20.00 N ATOM 818 CA VAL A 45 -26.893 -11.280 21.195 1.00 20.00 C ATOM 819 C VAL A 45 -27.657 -11.461 19.888 1.00 20.00 C ATOM 820 O VAL A 45 -28.623 -10.749 19.603 1.00 20.00 O ATOM 821 CB VAL A 45 -25.641 -10.415 20.940 1.00 20.00 C ATOM 822 CG1 VAL A 45 -26.028 -9.026 20.454 1.00 20.00 C ATOM 823 CG2 VAL A 45 -24.786 -10.331 22.194 1.00 20.00 C ATOM 0 H VAL A 45 -25.533 -12.777 21.747 1.00 20.00 H new ATOM 0 HA VAL A 45 -27.522 -10.770 21.925 1.00 20.00 H new ATOM 0 HB VAL A 45 -25.053 -10.891 20.156 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -25.127 -8.437 20.282 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -26.590 -9.109 19.524 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -26.644 -8.535 21.208 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -23.908 -9.717 21.995 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -25.366 -9.883 23.001 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -24.470 -11.332 22.487 1.00 20.00 H new ATOM 833 N GLU A 46 -27.223 -12.448 19.119 1.00 20.00 N ATOM 834 CA GLU A 46 -27.840 -12.777 17.840 1.00 20.00 C ATOM 835 C GLU A 46 -29.294 -13.207 18.021 1.00 20.00 C ATOM 836 O GLU A 46 -30.124 -12.981 17.146 1.00 20.00 O ATOM 837 CB GLU A 46 -27.059 -13.899 17.154 1.00 20.00 C ATOM 838 CG GLU A 46 -27.633 -14.323 15.814 1.00 20.00 C ATOM 839 CD GLU A 46 -27.057 -15.635 15.334 1.00 20.00 C ATOM 840 OE1 GLU A 46 -27.563 -16.694 15.754 1.00 20.00 O ATOM 841 OE2 GLU A 46 -26.098 -15.617 14.540 1.00 20.00 O ATOM 0 H GLU A 46 -26.433 -13.045 19.363 1.00 20.00 H new ATOM 0 HA GLU A 46 -27.819 -11.881 17.219 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -26.029 -13.574 17.010 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -27.031 -14.765 17.816 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -28.716 -14.413 15.897 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -27.433 -13.548 15.074 1.00 20.00 H new ATOM 848 N ARG A 47 -29.594 -13.818 19.164 1.00 20.00 N ATOM 849 CA ARG A 47 -30.931 -14.342 19.433 1.00 20.00 C ATOM 850 C ARG A 47 -31.996 -13.257 19.298 1.00 20.00 C ATOM 851 O ARG A 47 -33.053 -13.489 18.714 1.00 20.00 O ATOM 852 CB ARG A 47 -31.000 -14.962 20.832 1.00 20.00 C ATOM 853 CG ARG A 47 -30.094 -16.173 21.040 1.00 20.00 C ATOM 854 CD ARG A 47 -30.455 -17.340 20.124 1.00 20.00 C ATOM 855 NE ARG A 47 -29.933 -17.177 18.763 1.00 20.00 N ATOM 856 CZ ARG A 47 -30.592 -17.541 17.660 1.00 20.00 C ATOM 857 NH1 ARG A 47 -31.827 -18.022 17.746 1.00 20.00 N ATOM 858 NH2 ARG A 47 -30.019 -17.418 16.467 1.00 20.00 N ATOM 0 H ARG A 47 -28.927 -13.963 19.922 1.00 20.00 H new ATOM 0 HA ARG A 47 -31.131 -15.113 18.689 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -30.738 -14.199 21.566 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -32.030 -15.257 21.033 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -29.059 -15.883 20.862 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -30.160 -16.497 22.079 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -30.064 -18.264 20.550 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -31.539 -17.441 20.083 1.00 20.00 H new ATOM 0 HE ARG A 47 -29.009 -16.760 18.652 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -32.276 -18.115 18.657 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -32.327 -18.299 16.901 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -29.073 -17.045 16.392 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -30.525 -17.697 15.627 1.00 20.00 H new ATOM 872 N ARG A 48 -31.706 -12.068 19.816 1.00 20.00 N ATOM 873 CA ARG A 48 -32.654 -10.960 19.759 1.00 20.00 C ATOM 874 C ARG A 48 -32.883 -10.533 18.310 1.00 20.00 C ATOM 875 O ARG A 48 -33.992 -10.162 17.920 1.00 20.00 O ATOM 876 CB ARG A 48 -32.140 -9.770 20.569 1.00 20.00 C ATOM 877 CG ARG A 48 -33.189 -8.692 20.800 1.00 20.00 C ATOM 878 CD ARG A 48 -32.579 -7.434 21.394 1.00 20.00 C ATOM 879 NE ARG A 48 -31.782 -6.700 20.412 1.00 20.00 N ATOM 880 CZ ARG A 48 -30.587 -6.166 20.659 1.00 20.00 C ATOM 881 NH1 ARG A 48 -29.999 -6.347 21.837 1.00 20.00 N ATOM 882 NH2 ARG A 48 -29.970 -5.465 19.715 1.00 20.00 N ATOM 0 H ARG A 48 -30.824 -11.847 20.279 1.00 20.00 H new ATOM 0 HA ARG A 48 -33.598 -11.297 20.187 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -31.779 -10.127 21.534 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -31.287 -9.330 20.052 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -33.676 -8.450 19.855 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -33.961 -9.073 21.468 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -33.372 -6.790 21.773 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -31.952 -7.701 22.245 1.00 20.00 H new ATOM 0 HE ARG A 48 -32.167 -6.589 19.474 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -30.463 -6.898 22.559 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -29.084 -5.935 22.019 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -30.411 -5.337 18.804 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -29.055 -5.055 19.901 1.00 20.00 H new ATOM 896 N MET A 49 -31.827 -10.611 17.513 1.00 20.00 N ATOM 897 CA MET A 49 -31.894 -10.229 16.109 1.00 20.00 C ATOM 898 C MET A 49 -32.527 -11.345 15.290 1.00 20.00 C ATOM 899 O MET A 49 -33.110 -11.107 14.231 1.00 20.00 O ATOM 900 CB MET A 49 -30.497 -9.899 15.577 1.00 20.00 C ATOM 901 CG MET A 49 -29.876 -8.672 16.222 1.00 20.00 C ATOM 902 SD MET A 49 -28.222 -8.324 15.604 1.00 20.00 S ATOM 903 CE MET A 49 -27.853 -6.807 16.482 1.00 20.00 C ATOM 0 H MET A 49 -30.909 -10.937 17.816 1.00 20.00 H new ATOM 0 HA MET A 49 -32.514 -9.337 16.019 1.00 20.00 H new ATOM 0 HB2 MET A 49 -29.843 -10.756 15.741 1.00 20.00 H new ATOM 0 HB3 MET A 49 -30.555 -9.743 14.500 1.00 20.00 H new ATOM 0 HG2 MET A 49 -30.516 -7.808 16.041 1.00 20.00 H new ATOM 0 HG3 MET A 49 -29.833 -8.817 17.302 1.00 20.00 H new ATOM 0 HE1 MET A 49 -26.857 -6.460 16.207 1.00 20.00 H new ATOM 0 HE2 MET A 49 -28.588 -6.046 16.219 1.00 20.00 H new ATOM 0 HE3 MET A 49 -27.889 -6.990 17.556 1.00 20.00 H new ATOM 913 N ALA A 50 -32.407 -12.566 15.789 1.00 20.00 N ATOM 914 CA ALA A 50 -33.049 -13.714 15.176 1.00 20.00 C ATOM 915 C ALA A 50 -34.562 -13.595 15.287 1.00 20.00 C ATOM 916 O ALA A 50 -35.299 -14.054 14.415 1.00 20.00 O ATOM 917 CB ALA A 50 -32.566 -15.000 15.826 1.00 20.00 C ATOM 0 H ALA A 50 -31.865 -12.786 16.625 1.00 20.00 H new ATOM 0 HA ALA A 50 -32.781 -13.740 14.120 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -33.057 -15.852 15.355 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -31.487 -15.088 15.701 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -32.808 -14.984 16.889 1.00 20.00 H new ATOM 923 N GLU A 51 -35.013 -12.962 16.366 1.00 20.00 N ATOM 924 CA GLU A 51 -36.433 -12.713 16.571 1.00 20.00 C ATOM 925 C GLU A 51 -36.948 -11.678 15.575 1.00 20.00 C ATOM 926 O GLU A 51 -38.124 -11.684 15.213 1.00 20.00 O ATOM 927 CB GLU A 51 -36.705 -12.239 17.997 1.00 20.00 C ATOM 928 CG GLU A 51 -36.449 -13.293 19.061 1.00 20.00 C ATOM 929 CD GLU A 51 -37.078 -12.927 20.389 1.00 20.00 C ATOM 930 OE1 GLU A 51 -38.294 -13.171 20.558 1.00 20.00 O ATOM 931 OE2 GLU A 51 -36.375 -12.382 21.259 1.00 20.00 O ATOM 0 H GLU A 51 -34.413 -12.612 17.113 1.00 20.00 H new ATOM 0 HA GLU A 51 -36.961 -13.653 16.410 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -36.081 -11.370 18.205 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -37.742 -11.911 18.068 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -36.846 -14.251 18.724 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -35.375 -13.421 19.192 1.00 20.00 H new ATOM 938 N ARG A 52 -36.066 -10.791 15.136 1.00 20.00 N ATOM 939 CA ARG A 52 -36.418 -9.825 14.109 1.00 20.00 C ATOM 940 C ARG A 52 -36.501 -10.529 12.761 1.00 20.00 C ATOM 941 O ARG A 52 -37.410 -10.281 11.974 1.00 20.00 O ATOM 942 CB ARG A 52 -35.397 -8.683 14.061 1.00 20.00 C ATOM 943 CG ARG A 52 -35.672 -7.652 12.972 1.00 20.00 C ATOM 944 CD ARG A 52 -36.998 -6.932 13.187 1.00 20.00 C ATOM 945 NE ARG A 52 -36.998 -6.121 14.405 1.00 20.00 N ATOM 946 CZ ARG A 52 -38.085 -5.535 14.915 1.00 20.00 C ATOM 947 NH1 ARG A 52 -39.255 -5.636 14.297 1.00 20.00 N ATOM 948 NH2 ARG A 52 -37.997 -4.827 16.031 1.00 20.00 N ATOM 0 H ARG A 52 -35.106 -10.721 15.474 1.00 20.00 H new ATOM 0 HA ARG A 52 -37.389 -9.391 14.347 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -35.383 -8.180 15.028 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -34.403 -9.104 13.906 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -34.863 -6.922 12.951 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -35.681 -8.145 12.000 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -37.206 -6.294 12.328 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -37.803 -7.665 13.241 1.00 20.00 H new ATOM 0 HE ARG A 52 -36.113 -5.995 14.895 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -39.328 -6.164 13.427 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -40.081 -5.186 14.692 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -37.098 -4.728 16.503 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -38.828 -4.380 16.419 1.00 20.00 H new ATOM 962 N PHE A 53 -35.562 -11.438 12.522 1.00 20.00 N ATOM 963 CA PHE A 53 -35.549 -12.230 11.298 1.00 20.00 C ATOM 964 C PHE A 53 -36.758 -13.160 11.256 1.00 20.00 C ATOM 965 O PHE A 53 -37.205 -13.575 10.188 1.00 20.00 O ATOM 966 CB PHE A 53 -34.251 -13.039 11.200 1.00 20.00 C ATOM 967 CG PHE A 53 -34.133 -13.856 9.941 1.00 20.00 C ATOM 968 CD1 PHE A 53 -33.963 -13.240 8.710 1.00 20.00 C ATOM 969 CD2 PHE A 53 -34.198 -15.240 9.990 1.00 20.00 C ATOM 970 CE1 PHE A 53 -33.859 -13.990 7.553 1.00 20.00 C ATOM 971 CE2 PHE A 53 -34.096 -15.994 8.836 1.00 20.00 C ATOM 972 CZ PHE A 53 -33.925 -15.368 7.617 1.00 20.00 C ATOM 0 H PHE A 53 -34.796 -11.645 13.163 1.00 20.00 H new ATOM 0 HA PHE A 53 -35.601 -11.553 10.445 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -33.404 -12.356 11.258 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -34.184 -13.705 12.061 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -33.911 -12.163 8.655 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -34.330 -15.735 10.941 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -33.726 -13.499 6.600 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -34.150 -17.071 8.888 1.00 20.00 H new ATOM 0 HZ PHE A 53 -33.843 -15.956 6.715 1.00 20.00 H new ATOM 982 N ALA A 54 -37.294 -13.465 12.433 1.00 20.00 N ATOM 983 CA ALA A 54 -38.483 -14.299 12.555 1.00 20.00 C ATOM 984 C ALA A 54 -39.696 -13.628 11.917 1.00 20.00 C ATOM 985 O ALA A 54 -40.694 -14.278 11.615 1.00 20.00 O ATOM 986 CB ALA A 54 -38.761 -14.607 14.015 1.00 20.00 C ATOM 0 H ALA A 54 -36.918 -13.143 13.325 1.00 20.00 H new ATOM 0 HA ALA A 54 -38.296 -15.232 12.024 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -39.652 -15.231 14.092 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -37.910 -15.136 14.444 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -38.922 -13.676 14.559 1.00 20.00 H new ATOM 992 N LYS A 55 -39.605 -12.320 11.720 1.00 20.00 N ATOM 993 CA LYS A 55 -40.664 -11.575 11.057 1.00 20.00 C ATOM 994 C LYS A 55 -40.420 -11.538 9.554 1.00 20.00 C ATOM 995 O LYS A 55 -41.337 -11.318 8.766 1.00 20.00 O ATOM 996 CB LYS A 55 -40.745 -10.150 11.612 1.00 20.00 C ATOM 997 CG LYS A 55 -40.993 -10.090 13.115 1.00 20.00 C ATOM 998 CD LYS A 55 -42.307 -10.752 13.505 1.00 20.00 C ATOM 999 CE LYS A 55 -43.508 -10.035 12.904 1.00 20.00 C ATOM 1000 NZ LYS A 55 -44.788 -10.692 13.276 1.00 20.00 N ATOM 0 H LYS A 55 -38.808 -11.753 12.010 1.00 20.00 H new ATOM 0 HA LYS A 55 -41.612 -12.077 11.248 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -39.815 -9.628 11.385 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -41.544 -9.615 11.099 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -40.171 -10.580 13.637 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -41.001 -9.049 13.439 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -42.302 -11.790 13.174 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -42.398 -10.764 14.591 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -43.520 -8.999 13.243 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -43.413 -10.014 11.818 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -45.581 -10.174 12.847 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -44.788 -11.673 12.931 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -44.892 -10.689 14.311 1.00 20.00 H new ATOM 1014 N MET A 56 -39.172 -11.744 9.167 1.00 20.00 N ATOM 1015 CA MET A 56 -38.790 -11.765 7.760 1.00 20.00 C ATOM 1016 C MET A 56 -38.845 -13.182 7.189 1.00 20.00 C ATOM 1017 O MET A 56 -38.601 -13.387 5.999 1.00 20.00 O ATOM 1018 CB MET A 56 -37.382 -11.186 7.563 1.00 20.00 C ATOM 1019 CG MET A 56 -37.314 -9.662 7.586 1.00 20.00 C ATOM 1020 SD MET A 56 -37.846 -8.944 9.153 1.00 20.00 S ATOM 1021 CE MET A 56 -37.577 -7.201 8.832 1.00 20.00 C ATOM 0 H MET A 56 -38.398 -11.901 9.812 1.00 20.00 H new ATOM 0 HA MET A 56 -39.508 -11.145 7.223 1.00 20.00 H new ATOM 0 HB2 MET A 56 -36.730 -11.578 8.343 1.00 20.00 H new ATOM 0 HB3 MET A 56 -36.988 -11.540 6.611 1.00 20.00 H new ATOM 0 HG2 MET A 56 -36.291 -9.348 7.380 1.00 20.00 H new ATOM 0 HG3 MET A 56 -37.936 -9.266 6.784 1.00 20.00 H new ATOM 0 HE1 MET A 56 -37.860 -6.621 9.711 1.00 20.00 H new ATOM 0 HE2 MET A 56 -36.524 -7.030 8.609 1.00 20.00 H new ATOM 0 HE3 MET A 56 -38.183 -6.890 7.981 1.00 20.00 H new ATOM 1031 N ARG A 57 -39.169 -14.157 8.033 1.00 20.00 N ATOM 1032 CA ARG A 57 -39.218 -15.552 7.597 1.00 20.00 C ATOM 1033 C ARG A 57 -40.353 -15.768 6.596 1.00 20.00 C ATOM 1034 O ARG A 57 -40.284 -16.653 5.747 1.00 20.00 O ATOM 1035 CB ARG A 57 -39.385 -16.507 8.787 1.00 20.00 C ATOM 1036 CG ARG A 57 -40.736 -16.405 9.478 1.00 20.00 C ATOM 1037 CD ARG A 57 -40.982 -17.571 10.425 1.00 20.00 C ATOM 1038 NE ARG A 57 -39.945 -17.693 11.449 1.00 20.00 N ATOM 1039 CZ ARG A 57 -40.192 -17.836 12.753 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -41.438 -17.797 13.211 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -39.189 -18.009 13.601 1.00 20.00 N ATOM 0 H ARG A 57 -39.400 -14.011 9.016 1.00 20.00 H new ATOM 0 HA ARG A 57 -38.268 -15.773 7.111 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -39.242 -17.531 8.441 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -38.600 -16.304 9.515 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -40.789 -15.469 10.034 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -41.526 -16.375 8.727 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -41.951 -17.444 10.908 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -41.031 -18.496 9.851 1.00 20.00 H new ATOM 0 HE ARG A 57 -38.971 -17.667 11.148 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -42.215 -17.657 12.565 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -41.618 -17.907 14.209 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -38.229 -18.033 13.257 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -39.377 -18.118 14.598 1.00 20.00 H new