USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 365 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 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0522 X(o=-0.052,f=0.13) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.00328 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00738 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0679 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.3) USER MOD Single : A 61 GLN : amide:sc= -2.44! C(o=-2.4!,f=-6.9!) USER MOD Single : A 62 CYS SG : rot 100:sc= -4.09! USER MOD Single : A 64 GLN : amide:sc= -0.828 K(o=-0.83,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.57) USER MOD Single : A 71 THR OG1 : rot 135:sc= 0.367 USER MOD ----------------------------------------------------------------- ATOM 363 N LEU A 26 -18.625 -23.678 14.775 1.00 21.21 N ATOM 364 CA LEU A 26 -17.763 -23.601 13.606 1.00 15.43 C ATOM 365 C LEU A 26 -18.076 -22.366 12.775 1.00 11.11 C ATOM 366 O LEU A 26 -19.128 -21.738 12.924 1.00 33.23 O ATOM 367 CB LEU A 26 -17.912 -24.869 12.740 1.00 3.44 C ATOM 368 CG LEU A 26 -16.910 -26.003 13.028 1.00 42.43 C ATOM 369 CD1 LEU A 26 -16.853 -26.339 14.514 1.00 63.11 C ATOM 370 CD2 LEU A 26 -17.267 -27.243 12.217 1.00 21.13 C ATOM 0 HA LEU A 26 -16.733 -23.529 13.956 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -18.921 -25.260 12.873 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.816 -24.583 11.692 1.00 3.44 H new ATOM 0 HG LEU A 26 -15.921 -25.655 12.730 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -16.136 -27.143 14.678 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -16.544 -25.457 15.075 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -17.839 -26.657 14.853 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -16.550 -28.036 12.431 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -18.269 -27.577 12.486 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -17.237 -27.004 11.154 1.00 21.13 H new ATOM 382 N TYR A 27 -17.140 -22.025 11.909 1.00 5.01 N ATOM 383 CA TYR A 27 -17.304 -20.943 10.960 1.00 1.23 C ATOM 384 C TYR A 27 -17.021 -21.458 9.557 1.00 21.45 C ATOM 385 O TYR A 27 -16.201 -22.363 9.365 1.00 35.30 O ATOM 386 CB TYR A 27 -16.351 -19.782 11.286 1.00 52.12 C ATOM 387 CG TYR A 27 -16.810 -18.886 12.424 1.00 2.32 C ATOM 388 CD1 TYR A 27 -16.907 -19.362 13.729 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.142 -17.556 12.190 1.00 22.21 C ATOM 390 CE1 TYR A 27 -17.323 -18.540 14.760 1.00 54.23 C ATOM 391 CE2 TYR A 27 -17.557 -16.730 13.215 1.00 1.01 C ATOM 392 CZ TYR A 27 -17.646 -17.226 14.499 1.00 13.21 C ATOM 393 OH TYR A 27 -18.065 -16.407 15.523 1.00 30.44 O ATOM 0 H TYR A 27 -16.238 -22.496 11.845 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.328 -20.575 11.021 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.373 -20.192 11.536 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.222 -19.173 10.391 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -16.653 -20.390 13.939 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.074 -17.162 11.187 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -17.395 -18.926 15.766 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -17.811 -15.700 13.013 1.00 1.01 H new ATOM 0 HH TYR A 27 -18.252 -15.512 15.170 1.00 30.44 H new ATOM 403 N PHE A 28 -17.699 -20.881 8.588 1.00 71.32 N ATOM 404 CA PHE A 28 -17.456 -21.181 7.191 1.00 10.14 C ATOM 405 C PHE A 28 -16.854 -19.953 6.536 1.00 42.44 C ATOM 406 O PHE A 28 -17.099 -18.832 6.991 1.00 44.14 O ATOM 407 CB PHE A 28 -18.769 -21.575 6.482 1.00 40.34 C ATOM 408 CG PHE A 28 -18.736 -22.951 5.866 1.00 41.12 C ATOM 409 CD1 PHE A 28 -17.610 -23.389 5.193 1.00 74.33 C ATOM 410 CD2 PHE A 28 -19.819 -23.810 5.973 1.00 65.42 C ATOM 411 CE1 PHE A 28 -17.568 -24.649 4.639 1.00 21.32 C ATOM 412 CE2 PHE A 28 -19.774 -25.076 5.417 1.00 62.14 C ATOM 413 CZ PHE A 28 -18.648 -25.490 4.750 1.00 60.33 C ATOM 0 H PHE A 28 -18.434 -20.191 8.745 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.769 -22.023 7.111 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -19.588 -21.528 7.200 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.985 -20.843 5.704 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -16.755 -22.736 5.101 1.00 74.33 H new ATOM 0 HD2 PHE A 28 -20.707 -23.487 6.496 1.00 65.42 H new ATOM 0 HE1 PHE A 28 -16.682 -24.977 4.115 1.00 21.32 H new ATOM 0 HE2 PHE A 28 -20.623 -25.737 5.508 1.00 62.14 H new ATOM 0 HZ PHE A 28 -18.611 -26.477 4.313 1.00 60.33 H new ATOM 423 N VAL A 29 -16.080 -20.141 5.477 1.00 31.31 N ATOM 424 CA VAL A 29 -15.559 -19.005 4.746 1.00 3.35 C ATOM 425 C VAL A 29 -16.642 -18.602 3.760 1.00 63.31 C ATOM 426 O VAL A 29 -17.276 -19.463 3.182 1.00 22.10 O ATOM 427 CB VAL A 29 -14.235 -19.365 4.025 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.778 -18.237 3.102 1.00 63.55 C ATOM 429 CG2 VAL A 29 -13.145 -19.719 5.048 1.00 71.30 C ATOM 0 H VAL A 29 -15.805 -21.053 5.113 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.319 -18.179 5.416 1.00 3.35 H new ATOM 0 HB VAL A 29 -14.418 -20.241 3.402 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.847 -18.522 2.612 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.543 -18.052 2.348 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.618 -17.331 3.686 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -12.222 -19.969 4.525 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.970 -18.866 5.704 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.468 -20.574 5.643 1.00 71.30 H new ATOM 439 N VAL A 30 -16.931 -17.323 3.620 1.00 64.44 N ATOM 440 CA VAL A 30 -18.036 -16.910 2.763 1.00 74.31 C ATOM 441 C VAL A 30 -17.663 -15.724 1.906 1.00 41.10 C ATOM 442 O VAL A 30 -16.652 -15.054 2.149 1.00 44.12 O ATOM 443 CB VAL A 30 -19.309 -16.557 3.572 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.745 -17.730 4.438 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.100 -15.299 4.416 1.00 64.13 C ATOM 0 H VAL A 30 -16.430 -16.561 4.077 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.251 -17.768 2.126 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.108 -16.348 2.860 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.641 -17.457 4.996 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.960 -18.590 3.804 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.947 -17.984 5.135 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.011 -15.078 4.972 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.279 -15.462 5.115 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -18.860 -14.459 3.764 1.00 64.13 H new ATOM 455 N ARG A 31 -18.487 -15.487 0.897 1.00 74.21 N ATOM 456 CA ARG A 31 -18.333 -14.318 0.040 1.00 61.34 C ATOM 457 C ARG A 31 -19.587 -14.109 -0.798 1.00 65.32 C ATOM 458 O ARG A 31 -20.433 -15.006 -0.894 1.00 35.24 O ATOM 459 CB ARG A 31 -17.113 -14.490 -0.879 1.00 41.42 C ATOM 460 CG ARG A 31 -17.249 -15.651 -1.857 1.00 24.13 C ATOM 461 CD ARG A 31 -16.028 -15.810 -2.753 1.00 34.43 C ATOM 462 NE ARG A 31 -16.195 -16.926 -3.689 1.00 52.03 N ATOM 463 CZ ARG A 31 -15.200 -17.678 -4.153 1.00 70.33 C ATOM 464 NH1 ARG A 31 -13.947 -17.428 -3.791 1.00 13.04 N ATOM 465 NH2 ARG A 31 -15.465 -18.682 -4.977 1.00 53.34 N ATOM 0 H ARG A 31 -19.272 -16.090 0.650 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.180 -13.443 0.671 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -16.958 -13.569 -1.440 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.225 -14.643 -0.266 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -17.408 -16.574 -1.299 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -18.132 -15.497 -2.477 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -15.860 -14.888 -3.310 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -15.143 -15.977 -2.139 1.00 34.43 H new ATOM 0 HE ARG A 31 -17.140 -17.141 -4.007 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -13.744 -16.657 -3.155 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -13.187 -18.007 -4.149 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -16.428 -18.875 -5.253 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -14.706 -19.261 -5.336 1.00 53.34 H new ATOM 479 N ASN A 32 -19.716 -12.920 -1.375 1.00 2.23 N ATOM 480 CA ASN A 32 -20.736 -12.667 -2.385 1.00 31.43 C ATOM 481 C ASN A 32 -20.288 -11.547 -3.313 1.00 1.13 C ATOM 482 O ASN A 32 -19.745 -10.544 -2.859 1.00 32.34 O ATOM 483 CB ASN A 32 -22.068 -12.283 -1.717 1.00 44.45 C ATOM 484 CG ASN A 32 -21.949 -11.058 -0.815 1.00 22.14 C ATOM 485 OD1 ASN A 32 -21.667 -11.176 0.378 1.00 21.30 O ATOM 486 ND2 ASN A 32 -22.165 -9.874 -1.374 1.00 21.21 N ATOM 0 H ASN A 32 -19.127 -12.116 -1.160 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.880 -13.578 -2.966 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.813 -12.089 -2.489 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.430 -13.127 -1.130 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -22.099 -9.025 -0.812 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -22.397 -9.813 -2.365 1.00 21.21 H new ATOM 493 N ASN A 33 -20.568 -11.723 -4.608 1.00 42.50 N ATOM 494 CA ASN A 33 -20.308 -10.723 -5.663 1.00 1.24 C ATOM 495 C ASN A 33 -18.945 -10.001 -5.559 1.00 14.24 C ATOM 496 O ASN A 33 -18.696 -9.057 -6.313 1.00 32.20 O ATOM 497 CB ASN A 33 -21.441 -9.686 -5.686 1.00 73.12 C ATOM 498 CG ASN A 33 -22.760 -10.260 -6.179 1.00 2.33 C ATOM 499 OD1 ASN A 33 -22.786 -11.164 -7.018 1.00 42.53 O ATOM 500 ND2 ASN A 33 -23.866 -9.743 -5.664 1.00 65.15 N ATOM 0 H ASN A 33 -20.990 -12.580 -4.965 1.00 42.50 H new ATOM 0 HA ASN A 33 -20.269 -11.288 -6.594 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -21.578 -9.283 -4.682 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -21.151 -8.853 -6.327 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -24.778 -10.092 -5.960 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -23.806 -8.996 -4.972 1.00 65.15 H new ATOM 507 N GLU A 34 -18.066 -10.432 -4.657 1.00 12.12 N ATOM 508 CA GLU A 34 -16.808 -9.721 -4.415 1.00 15.25 C ATOM 509 C GLU A 34 -15.596 -10.540 -4.864 1.00 55.43 C ATOM 510 O GLU A 34 -14.587 -9.985 -5.301 1.00 11.43 O ATOM 511 CB GLU A 34 -16.693 -9.359 -2.926 1.00 31.40 C ATOM 512 CG GLU A 34 -16.627 -10.565 -1.989 1.00 45.21 C ATOM 513 CD GLU A 34 -16.731 -10.165 -0.525 1.00 55.45 C ATOM 514 OE1 GLU A 34 -15.734 -9.658 0.032 1.00 52.32 O ATOM 515 OE2 GLU A 34 -17.816 -10.342 0.068 1.00 70.25 O ATOM 0 H GLU A 34 -18.198 -11.265 -4.083 1.00 12.12 H new ATOM 0 HA GLU A 34 -16.818 -8.807 -5.009 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -15.800 -8.751 -2.780 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -17.548 -8.743 -2.647 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.434 -11.256 -2.233 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -15.690 -11.098 -2.152 1.00 45.21 H new ATOM 522 N GLY A 35 -15.700 -11.862 -4.759 1.00 13.30 N ATOM 523 CA GLY A 35 -14.589 -12.743 -5.103 1.00 3.53 C ATOM 524 C GLY A 35 -13.566 -12.850 -3.982 1.00 21.20 C ATOM 525 O GLY A 35 -12.813 -13.823 -3.907 1.00 11.05 O ATOM 0 H GLY A 35 -16.540 -12.345 -4.439 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.974 -13.736 -5.336 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -14.100 -12.372 -6.004 1.00 3.53 H new ATOM 529 N GLN A 36 -13.550 -11.842 -3.111 1.00 72.42 N ATOM 530 CA GLN A 36 -12.685 -11.830 -1.936 1.00 74.31 C ATOM 531 C GLN A 36 -13.212 -12.808 -0.893 1.00 21.04 C ATOM 532 O GLN A 36 -14.280 -13.394 -1.067 1.00 51.11 O ATOM 533 CB GLN A 36 -12.609 -10.413 -1.352 1.00 41.20 C ATOM 534 CG GLN A 36 -11.939 -9.405 -2.280 1.00 14.33 C ATOM 535 CD GLN A 36 -11.970 -7.987 -1.736 1.00 24.11 C ATOM 536 OE1 GLN A 36 -11.995 -7.771 -0.524 1.00 61.54 O ATOM 537 NE2 GLN A 36 -11.955 -7.011 -2.632 1.00 51.11 N ATOM 0 H GLN A 36 -14.136 -11.012 -3.201 1.00 72.42 H new ATOM 0 HA GLN A 36 -11.682 -12.139 -2.229 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -13.618 -10.069 -1.123 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -12.062 -10.446 -0.410 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -10.903 -9.703 -2.444 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -12.435 -9.427 -3.250 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -11.934 -7.233 -3.627 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -11.964 -6.038 -2.326 1.00 51.11 H new ATOM 546 N TYR A 37 -12.459 -12.999 0.184 1.00 44.03 N ATOM 547 CA TYR A 37 -12.827 -13.971 1.206 1.00 31.33 C ATOM 548 C TYR A 37 -13.196 -13.314 2.523 1.00 72.14 C ATOM 549 O TYR A 37 -12.554 -12.361 2.969 1.00 73.10 O ATOM 550 CB TYR A 37 -11.702 -14.994 1.407 1.00 65.43 C ATOM 551 CG TYR A 37 -11.714 -16.063 0.339 1.00 23.52 C ATOM 552 CD1 TYR A 37 -12.896 -16.724 0.052 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.574 -16.399 -0.385 1.00 24.31 C ATOM 554 CE1 TYR A 37 -12.952 -17.692 -0.925 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.622 -17.368 -1.371 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.814 -18.011 -1.636 1.00 11.32 C ATOM 557 OH TYR A 37 -11.873 -18.969 -2.620 1.00 0.35 O ATOM 0 H TYR A 37 -11.592 -12.495 0.372 1.00 44.03 H new ATOM 0 HA TYR A 37 -13.717 -14.490 0.849 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -10.740 -14.482 1.397 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -11.805 -15.459 2.387 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -13.790 -16.476 0.605 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -9.641 -15.897 -0.175 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.882 -18.199 -1.134 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.733 -17.620 -1.930 1.00 24.44 H new ATOM 0 HH TYR A 37 -10.988 -19.075 -3.026 1.00 0.35 H new ATOM 567 N SER A 38 -14.258 -13.828 3.124 1.00 71.15 N ATOM 568 CA SER A 38 -14.685 -13.424 4.449 1.00 73.51 C ATOM 569 C SER A 38 -15.080 -14.666 5.242 1.00 12.10 C ATOM 570 O SER A 38 -14.964 -15.780 4.733 1.00 11.10 O ATOM 571 CB SER A 38 -15.857 -12.442 4.347 1.00 52.44 C ATOM 572 OG SER A 38 -15.511 -11.326 3.543 1.00 71.45 O ATOM 0 H SER A 38 -14.850 -14.542 2.700 1.00 71.15 H new ATOM 0 HA SER A 38 -13.869 -12.918 4.965 1.00 73.51 H new ATOM 0 HB2 SER A 38 -16.724 -12.947 3.922 1.00 52.44 H new ATOM 0 HB3 SER A 38 -16.142 -12.104 5.343 1.00 52.44 H new ATOM 0 HG SER A 38 -16.273 -10.712 3.490 1.00 71.45 H new ATOM 578 N VAL A 39 -15.520 -14.491 6.486 1.00 63.03 N ATOM 579 CA VAL A 39 -15.951 -15.619 7.313 1.00 5.30 C ATOM 580 C VAL A 39 -17.352 -15.388 7.871 1.00 14.12 C ATOM 581 O VAL A 39 -17.787 -14.246 8.037 1.00 3.12 O ATOM 582 CB VAL A 39 -14.965 -15.905 8.476 1.00 35.10 C ATOM 583 CG1 VAL A 39 -13.653 -16.476 7.935 1.00 34.34 C ATOM 584 CG2 VAL A 39 -14.713 -14.640 9.298 1.00 24.42 C ATOM 0 H VAL A 39 -15.588 -13.582 6.944 1.00 63.03 H new ATOM 0 HA VAL A 39 -15.965 -16.493 6.661 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.415 -16.648 9.135 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -12.972 -16.671 8.763 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -13.853 -17.406 7.403 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.198 -15.758 7.253 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.019 -14.865 10.108 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -14.286 -13.869 8.657 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -15.655 -14.284 9.716 1.00 24.42 H new ATOM 594 N TRP A 40 -18.046 -16.484 8.152 1.00 31.10 N ATOM 595 CA TRP A 40 -19.412 -16.455 8.663 1.00 74.31 C ATOM 596 C TRP A 40 -19.602 -17.597 9.656 1.00 25.31 C ATOM 597 O TRP A 40 -18.887 -18.597 9.598 1.00 1.51 O ATOM 598 CB TRP A 40 -20.402 -16.579 7.498 1.00 25.04 C ATOM 599 CG TRP A 40 -21.845 -16.652 7.906 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.637 -17.763 7.915 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.664 -15.571 8.367 1.00 63.34 C ATOM 602 NE1 TRP A 40 -23.900 -17.436 8.338 1.00 4.55 N ATOM 603 CE2 TRP A 40 -23.942 -16.098 8.630 1.00 73.33 C ATOM 604 CE3 TRP A 40 -22.440 -14.210 8.578 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -24.990 -15.313 9.100 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -23.481 -13.427 9.045 1.00 51.14 C ATOM 607 CH2 TRP A 40 -24.743 -13.981 9.301 1.00 71.21 C ATOM 0 H TRP A 40 -17.674 -17.426 8.031 1.00 31.10 H new ATOM 0 HA TRP A 40 -19.597 -15.510 9.173 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.269 -15.725 6.834 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.155 -17.472 6.923 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.316 -18.754 7.631 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -24.683 -18.085 8.422 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -21.471 -13.775 8.380 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -25.963 -15.738 9.299 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -23.319 -12.373 9.215 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -25.536 -13.345 9.664 1.00 71.21 H new ATOM 618 N MET A 41 -20.561 -17.453 10.558 1.00 15.53 N ATOM 619 CA MET A 41 -20.780 -18.442 11.609 1.00 1.22 C ATOM 620 C MET A 41 -21.622 -19.600 11.071 1.00 72.33 C ATOM 621 O MET A 41 -22.748 -19.391 10.615 1.00 71.32 O ATOM 622 CB MET A 41 -21.475 -17.775 12.805 1.00 42.31 C ATOM 623 CG MET A 41 -21.288 -18.510 14.123 1.00 31.15 C ATOM 624 SD MET A 41 -22.140 -17.692 15.485 1.00 32.11 S ATOM 625 CE MET A 41 -21.353 -18.466 16.899 1.00 73.30 C ATOM 0 H MET A 41 -21.202 -16.660 10.585 1.00 15.53 H new ATOM 0 HA MET A 41 -19.821 -18.841 11.938 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.095 -16.759 12.911 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.541 -17.696 12.594 1.00 42.31 H new ATOM 0 HG2 MET A 41 -21.660 -19.530 14.024 1.00 31.15 H new ATOM 0 HG3 MET A 41 -20.224 -18.579 14.351 1.00 31.15 H new ATOM 0 HE1 MET A 41 -21.777 -18.061 17.818 1.00 73.30 H new ATOM 0 HE2 MET A 41 -21.522 -19.542 16.865 1.00 73.30 H new ATOM 0 HE3 MET A 41 -20.282 -18.266 16.874 1.00 73.30 H new ATOM 635 N ASP A 42 -21.080 -20.815 11.132 1.00 51.30 N ATOM 636 CA ASP A 42 -21.763 -21.989 10.585 1.00 11.42 C ATOM 637 C ASP A 42 -23.005 -22.319 11.406 1.00 34.45 C ATOM 638 O ASP A 42 -23.122 -21.922 12.569 1.00 34.15 O ATOM 639 CB ASP A 42 -20.819 -23.201 10.516 1.00 70.44 C ATOM 640 CG ASP A 42 -21.476 -24.418 9.870 1.00 62.11 C ATOM 641 OD1 ASP A 42 -22.152 -24.250 8.826 1.00 62.33 O ATOM 642 OD2 ASP A 42 -21.330 -25.540 10.398 1.00 14.52 O ATOM 0 H ASP A 42 -20.172 -21.013 11.553 1.00 51.30 H new ATOM 0 HA ASP A 42 -22.075 -21.751 9.568 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -19.927 -22.931 9.951 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -20.492 -23.460 11.523 1.00 70.44 H new ATOM 647 N GLY A 43 -23.936 -23.033 10.789 1.00 43.50 N ATOM 648 CA GLY A 43 -25.219 -23.296 11.415 1.00 3.14 C ATOM 649 C GLY A 43 -26.270 -22.319 10.932 1.00 31.24 C ATOM 650 O GLY A 43 -27.470 -22.577 11.033 1.00 3.04 O ATOM 0 H GLY A 43 -23.825 -23.438 9.859 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -25.535 -24.315 11.191 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.121 -23.224 12.498 1.00 3.14 H new ATOM 654 N ARG A 44 -25.811 -21.181 10.414 1.00 4.12 N ATOM 655 CA ARG A 44 -26.689 -20.181 9.824 1.00 32.44 C ATOM 656 C ARG A 44 -26.499 -20.174 8.309 1.00 64.22 C ATOM 657 O ARG A 44 -25.522 -19.620 7.806 1.00 52.23 O ATOM 658 CB ARG A 44 -26.407 -18.776 10.398 1.00 0.23 C ATOM 659 CG ARG A 44 -26.618 -18.647 11.909 1.00 25.34 C ATOM 660 CD ARG A 44 -25.456 -19.234 12.716 1.00 30.41 C ATOM 661 NE ARG A 44 -25.910 -20.217 13.709 1.00 65.32 N ATOM 662 CZ ARG A 44 -25.229 -20.563 14.810 1.00 41.11 C ATOM 663 NH1 ARG A 44 -24.088 -19.957 15.120 1.00 33.33 N ATOM 664 NH2 ARG A 44 -25.701 -21.511 15.611 1.00 23.54 N ATOM 0 H ARG A 44 -24.823 -20.930 10.393 1.00 4.12 H new ATOM 0 HA ARG A 44 -27.720 -20.439 10.068 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -25.378 -18.503 10.164 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -27.051 -18.056 9.892 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -26.740 -17.595 12.167 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -27.542 -19.153 12.188 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -24.747 -19.707 12.037 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -24.924 -18.428 13.222 1.00 30.41 H new ATOM 0 HE ARG A 44 -26.810 -20.669 13.549 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -23.722 -19.220 14.517 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -23.578 -20.229 15.961 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -26.581 -21.975 15.388 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -25.183 -21.775 16.449 1.00 23.54 H new ATOM 678 N SER A 45 -27.412 -20.820 7.593 1.00 20.53 N ATOM 679 CA SER A 45 -27.339 -20.899 6.138 1.00 5.15 C ATOM 680 C SER A 45 -27.458 -19.511 5.524 1.00 72.32 C ATOM 681 O SER A 45 -28.373 -18.746 5.854 1.00 4.10 O ATOM 682 CB SER A 45 -28.441 -21.822 5.608 1.00 43.33 C ATOM 683 OG SER A 45 -28.405 -23.079 6.267 1.00 24.12 O ATOM 0 H SER A 45 -28.216 -21.299 7.999 1.00 20.53 H new ATOM 0 HA SER A 45 -26.372 -21.314 5.855 1.00 5.15 H new ATOM 0 HB2 SER A 45 -29.415 -21.356 5.757 1.00 43.33 H new ATOM 0 HB3 SER A 45 -28.317 -21.965 4.535 1.00 43.33 H new ATOM 0 HG SER A 45 -29.117 -23.653 5.916 1.00 24.12 H new ATOM 689 N LEU A 46 -26.519 -19.190 4.647 1.00 30.11 N ATOM 690 CA LEU A 46 -26.452 -17.885 4.017 1.00 41.30 C ATOM 691 C LEU A 46 -27.725 -17.547 3.238 1.00 52.25 C ATOM 692 O LEU A 46 -28.365 -18.425 2.655 1.00 65.25 O ATOM 693 CB LEU A 46 -25.258 -17.827 3.058 1.00 31.30 C ATOM 694 CG LEU A 46 -23.932 -17.323 3.647 1.00 40.51 C ATOM 695 CD1 LEU A 46 -24.116 -16.001 4.386 1.00 14.34 C ATOM 696 CD2 LEU A 46 -23.325 -18.370 4.553 1.00 11.43 C ATOM 0 H LEU A 46 -25.781 -19.830 4.353 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.339 -17.153 4.817 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.095 -18.827 2.655 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.525 -17.185 2.219 1.00 31.30 H new ATOM 0 HG LEU A 46 -23.245 -17.141 2.821 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -23.158 -15.674 4.790 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -24.495 -15.248 3.695 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -24.827 -16.136 5.201 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -22.386 -17.997 4.962 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.014 -18.589 5.368 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -23.136 -19.280 3.983 1.00 11.43 H new ATOM 708 N PRO A 47 -28.104 -16.258 3.240 1.00 40.22 N ATOM 709 CA PRO A 47 -29.117 -15.723 2.328 1.00 35.22 C ATOM 710 C PRO A 47 -28.704 -15.905 0.863 1.00 3.22 C ATOM 711 O PRO A 47 -27.516 -15.797 0.520 1.00 43.43 O ATOM 712 CB PRO A 47 -29.182 -14.228 2.679 1.00 55.23 C ATOM 713 CG PRO A 47 -28.595 -14.119 4.048 1.00 33.22 C ATOM 714 CD PRO A 47 -27.591 -15.232 4.164 1.00 72.34 C ATOM 0 HA PRO A 47 -30.075 -16.232 2.437 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -28.620 -13.631 1.961 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -30.209 -13.864 2.661 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -28.119 -13.149 4.191 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -29.368 -14.211 4.811 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.591 -14.902 3.881 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -27.526 -15.608 5.185 1.00 72.34 H new ATOM 722 N ALA A 48 -29.687 -16.173 0.007 1.00 24.10 N ATOM 723 CA ALA A 48 -29.443 -16.343 -1.420 1.00 45.31 C ATOM 724 C ALA A 48 -28.664 -15.148 -1.968 1.00 10.30 C ATOM 725 O ALA A 48 -29.057 -13.996 -1.766 1.00 50.42 O ATOM 726 CB ALA A 48 -30.761 -16.521 -2.171 1.00 71.43 C ATOM 0 H ALA A 48 -30.664 -16.277 0.280 1.00 24.10 H new ATOM 0 HA ALA A 48 -28.845 -17.242 -1.568 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.560 -16.647 -3.235 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.279 -17.403 -1.793 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.387 -15.641 -2.022 1.00 71.43 H new ATOM 732 N GLY A 49 -27.570 -15.424 -2.666 1.00 61.20 N ATOM 733 CA GLY A 49 -26.684 -14.374 -3.136 1.00 60.31 C ATOM 734 C GLY A 49 -25.316 -14.473 -2.496 1.00 71.01 C ATOM 735 O GLY A 49 -24.314 -14.091 -3.103 1.00 13.20 O ATOM 0 H GLY A 49 -27.277 -16.368 -2.918 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.585 -14.438 -4.220 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -27.121 -13.401 -2.913 1.00 60.31 H new ATOM 739 N TRP A 50 -25.266 -14.993 -1.270 1.00 52.24 N ATOM 740 CA TRP A 50 -23.993 -15.294 -0.615 1.00 31.12 C ATOM 741 C TRP A 50 -23.543 -16.694 -1.020 1.00 32.34 C ATOM 742 O TRP A 50 -24.300 -17.434 -1.656 1.00 34.24 O ATOM 743 CB TRP A 50 -24.134 -15.224 0.912 1.00 51.44 C ATOM 744 CG TRP A 50 -24.418 -13.851 1.448 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.540 -13.101 1.239 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.574 -13.080 2.312 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.441 -11.908 1.912 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.244 -11.872 2.580 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.318 -13.297 2.884 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -23.697 -10.883 3.393 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -21.775 -12.316 3.691 1.00 43.03 C ATOM 752 CH2 TRP A 50 -22.465 -11.123 3.941 1.00 53.43 C ATOM 0 H TRP A 50 -26.090 -15.214 -0.711 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.254 -14.556 -0.927 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -24.936 -15.894 1.221 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.215 -15.595 1.367 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.382 -13.402 0.633 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -26.144 -11.169 1.915 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -21.781 -14.216 2.699 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -24.225 -9.960 3.585 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -20.803 -12.471 4.136 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -22.016 -10.377 4.579 1.00 53.43 H new ATOM 763 N GLU A 51 -22.318 -17.059 -0.666 1.00 31.52 N ATOM 764 CA GLU A 51 -21.838 -18.415 -0.898 1.00 65.54 C ATOM 765 C GLU A 51 -20.840 -18.818 0.180 1.00 44.41 C ATOM 766 O GLU A 51 -20.087 -17.974 0.704 1.00 23.22 O ATOM 767 CB GLU A 51 -21.200 -18.552 -2.291 1.00 21.21 C ATOM 768 CG GLU A 51 -19.816 -17.929 -2.395 1.00 31.04 C ATOM 769 CD GLU A 51 -19.264 -17.932 -3.812 1.00 61.44 C ATOM 770 OE1 GLU A 51 -19.574 -16.994 -4.574 1.00 74.23 O ATOM 771 OE2 GLU A 51 -18.509 -18.864 -4.169 1.00 2.31 O ATOM 0 H GLU A 51 -21.642 -16.439 -0.220 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.697 -19.084 -0.853 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -21.133 -19.609 -2.547 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.854 -18.086 -3.028 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.858 -16.903 -2.030 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -19.130 -18.471 -1.744 1.00 31.04 H new ATOM 778 N THR A 52 -20.867 -20.108 0.506 1.00 32.54 N ATOM 779 CA THR A 52 -19.963 -20.708 1.475 1.00 63.35 C ATOM 780 C THR A 52 -18.791 -21.391 0.774 1.00 21.15 C ATOM 781 O THR A 52 -18.916 -21.851 -0.365 1.00 10.23 O ATOM 782 CB THR A 52 -20.700 -21.742 2.361 1.00 43.32 C ATOM 783 OG1 THR A 52 -21.523 -22.592 1.547 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.560 -21.058 3.413 1.00 41.04 C ATOM 0 H THR A 52 -21.526 -20.771 0.098 1.00 32.54 H new ATOM 0 HA THR A 52 -19.586 -19.904 2.107 1.00 63.35 H new ATOM 0 HB THR A 52 -19.945 -22.341 2.871 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.984 -23.244 2.116 1.00 14.24 H new ATOM 0 HG21 THR A 52 -22.064 -21.812 4.018 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.930 -20.441 4.053 1.00 41.04 H new ATOM 0 HG23 THR A 52 -22.304 -20.430 2.923 1.00 41.04 H new ATOM 792 N VAL A 53 -17.679 -21.476 1.488 1.00 23.41 N ATOM 793 CA VAL A 53 -16.417 -22.001 0.982 1.00 22.34 C ATOM 794 C VAL A 53 -15.498 -22.359 2.151 1.00 44.25 C ATOM 795 O VAL A 53 -15.746 -21.971 3.315 1.00 74.21 O ATOM 796 CB VAL A 53 -15.677 -21.004 0.033 1.00 51.30 C ATOM 797 CG1 VAL A 53 -16.135 -21.170 -1.416 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.880 -19.560 0.485 1.00 31.43 C ATOM 0 H VAL A 53 -17.627 -21.174 2.461 1.00 23.41 H new ATOM 0 HA VAL A 53 -16.659 -22.888 0.397 1.00 22.34 H new ATOM 0 HB VAL A 53 -14.614 -21.238 0.085 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -15.601 -20.462 -2.050 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -15.925 -22.186 -1.750 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -17.206 -20.981 -1.483 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -15.354 -18.889 -0.194 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.944 -19.323 0.478 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.487 -19.436 1.494 1.00 31.43 H new ATOM 808 N GLY A 54 -14.438 -23.090 1.832 1.00 3.04 N ATOM 809 CA GLY A 54 -13.527 -23.579 2.842 1.00 22.23 C ATOM 810 C GLY A 54 -14.034 -24.863 3.470 1.00 33.01 C ATOM 811 O GLY A 54 -15.089 -25.367 3.087 1.00 72.20 O ATOM 0 H GLY A 54 -14.193 -23.354 0.878 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -12.547 -23.752 2.397 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -13.397 -22.821 3.614 1.00 22.23 H new ATOM 815 N GLU A 55 -13.270 -25.408 4.404 1.00 4.43 N ATOM 816 CA GLU A 55 -13.719 -26.538 5.209 1.00 31.03 C ATOM 817 C GLU A 55 -14.088 -26.001 6.590 1.00 24.14 C ATOM 818 O GLU A 55 -13.256 -25.358 7.240 1.00 23.13 O ATOM 819 CB GLU A 55 -12.613 -27.606 5.291 1.00 24.22 C ATOM 820 CG GLU A 55 -12.991 -28.860 6.077 1.00 31.31 C ATOM 821 CD GLU A 55 -11.930 -29.951 5.982 1.00 15.13 C ATOM 822 OE1 GLU A 55 -10.726 -29.622 6.072 1.00 72.41 O ATOM 823 OE2 GLU A 55 -12.293 -31.136 5.818 1.00 54.04 O ATOM 0 H GLU A 55 -12.329 -25.084 4.626 1.00 4.43 H new ATOM 0 HA GLU A 55 -14.588 -27.018 4.760 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -12.334 -27.899 4.279 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -11.730 -27.160 5.748 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -13.144 -28.597 7.124 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -13.939 -29.247 5.704 1.00 31.31 H new ATOM 830 N PRO A 56 -15.338 -26.217 7.044 1.00 15.13 N ATOM 831 CA PRO A 56 -15.865 -25.559 8.247 1.00 1.52 C ATOM 832 C PRO A 56 -14.995 -25.799 9.483 1.00 72.40 C ATOM 833 O PRO A 56 -14.713 -26.940 9.859 1.00 53.12 O ATOM 834 CB PRO A 56 -17.266 -26.169 8.420 1.00 31.21 C ATOM 835 CG PRO A 56 -17.254 -27.412 7.595 1.00 3.01 C ATOM 836 CD PRO A 56 -16.333 -27.128 6.447 1.00 64.45 C ATOM 0 HA PRO A 56 -15.883 -24.475 8.137 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -17.472 -26.393 9.467 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -18.040 -25.480 8.083 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -16.903 -28.265 8.177 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -18.256 -27.657 7.242 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -15.870 -28.038 6.065 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -16.858 -26.663 5.613 1.00 64.45 H new ATOM 844 N ALA A 57 -14.580 -24.703 10.107 1.00 33.55 N ATOM 845 CA ALA A 57 -13.688 -24.743 11.255 1.00 55.44 C ATOM 846 C ALA A 57 -13.959 -23.535 12.142 1.00 31.23 C ATOM 847 O ALA A 57 -14.468 -22.526 11.659 1.00 52.10 O ATOM 848 CB ALA A 57 -12.240 -24.762 10.782 1.00 52.45 C ATOM 0 H ALA A 57 -14.854 -23.761 9.829 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.866 -25.649 11.835 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.576 -24.792 11.646 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -12.071 -25.643 10.163 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -12.036 -23.864 10.198 1.00 52.45 H new ATOM 854 N THR A 58 -13.621 -23.629 13.422 1.00 61.34 N ATOM 855 CA THR A 58 -13.970 -22.587 14.387 1.00 41.54 C ATOM 856 C THR A 58 -13.314 -21.245 14.034 1.00 53.23 C ATOM 857 O THR A 58 -12.435 -21.185 13.172 1.00 72.34 O ATOM 858 CB THR A 58 -13.584 -23.005 15.824 1.00 32.00 C ATOM 859 OG1 THR A 58 -14.124 -22.073 16.772 1.00 12.31 O ATOM 860 CG2 THR A 58 -12.070 -23.083 15.992 1.00 4.31 C ATOM 0 H THR A 58 -13.106 -24.415 13.819 1.00 61.34 H new ATOM 0 HA THR A 58 -15.051 -22.459 14.340 1.00 41.54 H new ATOM 0 HB THR A 58 -14.002 -23.995 16.005 1.00 32.00 H new ATOM 0 HG1 THR A 58 -13.875 -22.348 17.679 1.00 12.31 H new ATOM 0 HG21 THR A 58 -11.832 -23.379 17.014 1.00 4.31 H new ATOM 0 HG22 THR A 58 -11.664 -23.818 15.297 1.00 4.31 H new ATOM 0 HG23 THR A 58 -11.630 -22.107 15.786 1.00 4.31 H new ATOM 868 N LYS A 59 -13.737 -20.186 14.733 1.00 20.01 N ATOM 869 CA LYS A 59 -13.323 -18.806 14.438 1.00 44.32 C ATOM 870 C LYS A 59 -11.822 -18.699 14.147 1.00 75.31 C ATOM 871 O LYS A 59 -11.427 -18.272 13.057 1.00 55.41 O ATOM 872 CB LYS A 59 -13.707 -17.885 15.614 1.00 22.43 C ATOM 873 CG LYS A 59 -13.231 -16.434 15.484 1.00 75.31 C ATOM 874 CD LYS A 59 -13.879 -15.700 14.306 1.00 22.03 C ATOM 875 CE LYS A 59 -13.503 -14.217 14.298 1.00 60.14 C ATOM 876 NZ LYS A 59 -14.097 -13.484 13.143 1.00 44.44 N ATOM 0 H LYS A 59 -14.379 -20.260 15.523 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.847 -18.489 13.536 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -14.792 -17.887 15.718 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.298 -18.305 16.533 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -13.455 -15.899 16.407 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -12.148 -16.421 15.363 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -13.565 -16.162 13.370 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -14.963 -15.802 14.363 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -13.837 -13.756 15.227 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -12.418 -14.121 14.266 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -13.813 -12.484 13.183 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -13.759 -13.905 12.254 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -15.134 -13.551 13.186 1.00 44.44 H new ATOM 890 N GLN A 60 -10.998 -19.104 15.116 1.00 12.52 N ATOM 891 CA GLN A 60 -9.541 -18.998 14.991 1.00 60.11 C ATOM 892 C GLN A 60 -9.036 -19.697 13.730 1.00 73.42 C ATOM 893 O GLN A 60 -8.147 -19.196 13.044 1.00 12.21 O ATOM 894 CB GLN A 60 -8.830 -19.594 16.219 1.00 71.20 C ATOM 895 CG GLN A 60 -8.981 -18.785 17.506 1.00 21.32 C ATOM 896 CD GLN A 60 -10.406 -18.754 18.031 1.00 4.32 C ATOM 897 OE1 GLN A 60 -11.183 -17.856 17.706 1.00 72.30 O ATOM 898 NE2 GLN A 60 -10.765 -19.740 18.835 1.00 42.31 N ATOM 0 H GLN A 60 -11.315 -19.509 15.997 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.308 -17.935 14.924 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -9.216 -20.599 16.392 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -7.768 -19.694 15.993 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -8.328 -19.206 18.271 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -8.645 -17.764 17.327 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -10.093 -20.467 19.082 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -11.714 -19.774 19.208 1.00 42.31 H new ATOM 907 N GLN A 61 -9.614 -20.853 13.434 1.00 11.51 N ATOM 908 CA GLN A 61 -9.185 -21.660 12.299 1.00 25.23 C ATOM 909 C GLN A 61 -9.667 -21.046 10.982 1.00 25.12 C ATOM 910 O GLN A 61 -8.936 -21.028 9.992 1.00 72.45 O ATOM 911 CB GLN A 61 -9.712 -23.095 12.452 1.00 32.13 C ATOM 912 CG GLN A 61 -9.191 -23.811 13.697 1.00 4.10 C ATOM 913 CD GLN A 61 -9.839 -25.171 13.925 1.00 71.32 C ATOM 914 OE1 GLN A 61 -11.000 -25.389 13.572 1.00 3.32 O ATOM 915 NE2 GLN A 61 -9.098 -26.091 14.523 1.00 15.31 N ATOM 0 H GLN A 61 -10.385 -21.255 13.967 1.00 11.51 H new ATOM 0 HA GLN A 61 -8.095 -21.684 12.278 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.801 -23.071 12.487 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -9.434 -23.671 11.569 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -8.112 -23.940 13.609 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -9.366 -23.182 14.570 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -8.141 -25.874 14.801 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -9.484 -27.017 14.706 1.00 15.31 H new ATOM 924 N CYS A 62 -10.889 -20.522 10.993 1.00 12.43 N ATOM 925 CA CYS A 62 -11.513 -19.959 9.795 1.00 63.15 C ATOM 926 C CYS A 62 -10.758 -18.711 9.329 1.00 45.14 C ATOM 927 O CYS A 62 -10.374 -18.610 8.159 1.00 24.33 O ATOM 928 CB CYS A 62 -12.983 -19.628 10.079 1.00 43.44 C ATOM 929 SG CYS A 62 -14.007 -19.468 8.600 1.00 5.43 S ATOM 0 H CYS A 62 -11.474 -20.475 11.827 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.468 -20.698 8.995 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.403 -20.408 10.715 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.031 -18.696 10.643 1.00 43.44 H new ATOM 0 HG CYS A 62 -14.677 -20.567 8.415 1.00 5.43 H new ATOM 935 N LEU A 63 -10.526 -17.768 10.253 1.00 32.10 N ATOM 936 CA LEU A 63 -9.798 -16.540 9.917 1.00 54.21 C ATOM 937 C LEU A 63 -8.377 -16.877 9.482 1.00 45.12 C ATOM 938 O LEU A 63 -7.883 -16.364 8.482 1.00 0.30 O ATOM 939 CB LEU A 63 -9.806 -15.527 11.093 1.00 51.43 C ATOM 940 CG LEU A 63 -9.287 -16.029 12.461 1.00 12.23 C ATOM 941 CD1 LEU A 63 -7.765 -15.912 12.570 1.00 32.23 C ATOM 942 CD2 LEU A 63 -9.960 -15.271 13.605 1.00 43.32 C ATOM 0 H LEU A 63 -10.828 -17.831 11.225 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.310 -16.058 9.084 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.207 -14.665 10.800 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -10.828 -15.174 11.228 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.545 -17.085 12.537 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.441 -16.275 13.545 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.297 -16.509 11.787 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.471 -14.869 12.455 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.581 -15.639 14.558 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -9.742 -14.207 13.514 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.038 -15.425 13.559 1.00 43.32 H new ATOM 954 N GLN A 64 -7.743 -17.780 10.216 1.00 23.35 N ATOM 955 CA GLN A 64 -6.376 -18.184 9.925 1.00 61.05 C ATOM 956 C GLN A 64 -6.295 -18.849 8.555 1.00 42.03 C ATOM 957 O GLN A 64 -5.323 -18.666 7.822 1.00 43.03 O ATOM 958 CB GLN A 64 -5.873 -19.139 11.014 1.00 61.12 C ATOM 959 CG GLN A 64 -4.413 -19.551 10.863 1.00 33.54 C ATOM 960 CD GLN A 64 -3.954 -20.520 11.948 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.081 -21.358 11.719 1.00 25.14 O ATOM 962 NE2 GLN A 64 -4.531 -20.412 13.141 1.00 60.21 N ATOM 0 H GLN A 64 -8.157 -18.249 11.022 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.742 -17.297 9.911 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.006 -18.664 11.986 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.493 -20.035 11.010 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.270 -20.013 9.886 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.785 -18.661 10.889 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -5.251 -19.707 13.297 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -4.253 -21.034 13.900 1.00 60.21 H new ATOM 971 N ARG A 65 -7.338 -19.596 8.207 1.00 40.34 N ATOM 972 CA ARG A 65 -7.358 -20.350 6.962 1.00 13.52 C ATOM 973 C ARG A 65 -7.261 -19.412 5.764 1.00 14.24 C ATOM 974 O ARG A 65 -6.425 -19.608 4.892 1.00 44.41 O ATOM 975 CB ARG A 65 -8.630 -21.214 6.880 1.00 2.22 C ATOM 976 CG ARG A 65 -8.640 -22.192 5.705 1.00 23.32 C ATOM 977 CD ARG A 65 -9.729 -23.253 5.858 1.00 54.45 C ATOM 978 NE ARG A 65 -9.476 -24.429 5.016 1.00 65.22 N ATOM 979 CZ ARG A 65 -9.641 -25.693 5.421 1.00 14.34 C ATOM 980 NH1 ARG A 65 -10.103 -25.954 6.643 1.00 74.43 N ATOM 981 NH2 ARG A 65 -9.352 -26.693 4.601 1.00 73.25 N ATOM 0 H ARG A 65 -8.181 -19.694 8.772 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.492 -21.012 6.943 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.736 -21.775 7.808 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.498 -20.559 6.802 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.796 -21.643 4.776 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.667 -22.678 5.629 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -9.790 -23.561 6.902 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -10.695 -22.821 5.596 1.00 54.45 H new ATOM 0 HE ARG A 65 -9.154 -24.272 4.061 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -10.333 -25.188 7.276 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -10.227 -26.920 6.946 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -9.004 -26.498 3.662 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -9.477 -27.657 4.909 1.00 73.25 H new ATOM 995 N ILE A 66 -8.104 -18.386 5.734 1.00 5.32 N ATOM 996 CA ILE A 66 -8.106 -17.437 4.621 1.00 74.32 C ATOM 997 C ILE A 66 -6.901 -16.496 4.680 1.00 34.13 C ATOM 998 O ILE A 66 -6.269 -16.212 3.657 1.00 70.50 O ATOM 999 CB ILE A 66 -9.410 -16.602 4.573 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.677 -15.915 5.923 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.585 -17.486 4.172 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -10.853 -14.959 5.905 1.00 42.21 C ATOM 0 H ILE A 66 -8.791 -18.189 6.461 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.044 -18.035 3.712 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.291 -15.820 3.823 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.855 -16.679 6.679 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.783 -15.370 6.225 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.496 -16.888 4.142 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.399 -17.914 3.187 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.702 -18.289 4.900 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -10.976 -14.515 6.893 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -10.671 -14.172 5.174 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.759 -15.502 5.635 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.583 -16.019 5.880 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.515 -15.042 6.064 1.00 71.01 C ATOM 1016 C GLU A 67 -4.157 -15.613 5.676 1.00 51.43 C ATOM 1017 O GLU A 67 -3.346 -14.917 5.080 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.507 -14.526 7.503 1.00 61.10 C ATOM 1019 CG GLU A 67 -6.724 -13.671 7.831 1.00 14.42 C ATOM 1020 CD GLU A 67 -6.850 -12.466 6.911 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -6.237 -11.418 7.203 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -7.551 -12.560 5.880 1.00 43.23 O ATOM 0 H GLU A 67 -7.052 -16.295 6.743 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.711 -14.202 5.398 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -5.469 -15.373 8.188 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.602 -13.941 7.669 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -7.625 -14.280 7.753 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -6.658 -13.331 8.864 1.00 14.42 H new ATOM 1029 N GLN A 68 -3.918 -16.885 5.975 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.634 -17.513 5.639 1.00 35.25 C ATOM 1031 C GLN A 68 -2.575 -17.906 4.159 1.00 3.20 C ATOM 1032 O GLN A 68 -1.584 -18.473 3.700 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.379 -18.735 6.531 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.267 -18.396 8.014 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.136 -17.426 8.321 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -0.102 -17.415 7.648 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -1.330 -16.592 9.332 1.00 13.54 N ATOM 0 H GLN A 68 -4.584 -17.500 6.443 1.00 2.11 H new ATOM 0 HA GLN A 68 -1.848 -16.780 5.821 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.188 -19.452 6.391 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.460 -19.224 6.208 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -3.209 -17.966 8.354 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -2.113 -19.315 8.580 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -2.198 -16.631 9.866 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -0.611 -15.911 9.577 1.00 13.54 H new ATOM 1046 N LEU A 69 -3.647 -17.627 3.427 1.00 70.13 N ATOM 1047 CA LEU A 69 -3.703 -17.913 1.991 1.00 22.31 C ATOM 1048 C LEU A 69 -3.531 -16.639 1.169 1.00 33.43 C ATOM 1049 O LEU A 69 -2.547 -16.472 0.445 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.026 -18.603 1.614 1.00 23.42 C ATOM 1051 CG LEU A 69 -5.244 -19.994 2.228 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -6.540 -20.615 1.713 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -4.053 -20.906 1.943 1.00 42.22 C ATOM 0 H LEU A 69 -4.494 -17.201 3.802 1.00 70.13 H new ATOM 0 HA LEU A 69 -2.879 -18.589 1.763 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -5.851 -17.958 1.916 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -5.073 -18.693 0.529 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.329 -19.879 3.309 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -6.675 -21.600 2.161 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -7.381 -19.976 1.982 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -6.491 -20.713 0.629 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -4.230 -21.885 2.388 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -3.927 -21.014 0.866 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -3.151 -20.471 2.372 1.00 42.22 H new ATOM 1065 N TRP A 70 -4.513 -15.750 1.291 1.00 4.00 N ATOM 1066 CA TRP A 70 -4.573 -14.525 0.495 1.00 33.32 C ATOM 1067 C TRP A 70 -3.754 -13.410 1.145 1.00 14.11 C ATOM 1068 O TRP A 70 -3.006 -12.702 0.476 1.00 5.44 O ATOM 1069 CB TRP A 70 -6.043 -14.090 0.349 1.00 44.12 C ATOM 1070 CG TRP A 70 -6.262 -12.920 -0.569 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -6.156 -11.594 -0.255 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -6.644 -12.975 -1.949 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -6.440 -10.824 -1.354 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -6.743 -11.647 -2.407 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -6.905 -14.018 -2.845 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -7.095 -11.335 -3.719 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -7.257 -13.707 -4.145 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -7.345 -12.375 -4.573 1.00 22.44 C ATOM 0 H TRP A 70 -5.290 -15.857 1.944 1.00 4.00 H new ATOM 0 HA TRP A 70 -4.148 -14.721 -0.489 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -6.624 -14.936 -0.018 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -6.433 -13.839 1.335 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -5.888 -11.208 0.717 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -6.428 -9.804 -1.383 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -6.833 -15.047 -2.526 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -7.168 -10.310 -4.050 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -7.468 -14.504 -4.843 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -7.616 -12.165 -5.597 1.00 22.44 H new ATOM 1089 N THR A 71 -3.935 -13.253 2.448 1.00 54.12 N ATOM 1090 CA THR A 71 -3.322 -12.179 3.217 1.00 14.01 C ATOM 1091 C THR A 71 -1.917 -12.545 3.725 1.00 15.51 C ATOM 1092 O THR A 71 -1.187 -11.679 4.212 1.00 20.13 O ATOM 1093 CB THR A 71 -4.241 -11.801 4.401 1.00 13.44 C ATOM 1094 OG1 THR A 71 -5.589 -11.641 3.930 1.00 21.02 O ATOM 1095 CG2 THR A 71 -3.789 -10.513 5.071 1.00 55.35 C ATOM 0 H THR A 71 -4.518 -13.875 3.008 1.00 54.12 H new ATOM 0 HA THR A 71 -3.203 -11.324 2.552 1.00 14.01 H new ATOM 0 HB THR A 71 -4.189 -12.604 5.136 1.00 13.44 H new ATOM 0 HG1 THR A 71 -6.206 -12.090 4.545 1.00 21.02 H new ATOM 0 HG21 THR A 71 -4.459 -10.279 5.899 1.00 55.35 H new ATOM 0 HG22 THR A 71 -2.774 -10.636 5.449 1.00 55.35 H new ATOM 0 HG23 THR A 71 -3.810 -9.699 4.346 1.00 55.35 H new ATOM 1103 N ASP A 72 -1.554 -13.832 3.605 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.374 -14.404 4.287 1.00 73.31 C ATOM 1105 C ASP A 72 0.850 -13.486 4.257 1.00 64.32 C ATOM 1106 O ASP A 72 1.570 -13.380 5.255 1.00 42.51 O ATOM 1107 CB ASP A 72 0.019 -15.752 3.671 1.00 14.44 C ATOM 1108 CG ASP A 72 0.730 -15.616 2.330 1.00 72.24 C ATOM 1109 OD1 ASP A 72 0.089 -15.177 1.352 1.00 35.04 O ATOM 1110 OD2 ASP A 72 1.936 -15.931 2.255 1.00 33.45 O ATOM 0 H ASP A 72 -2.066 -14.506 3.036 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.678 -14.531 5.326 1.00 73.31 H new ATOM 0 HB2 ASP A 72 0.667 -16.286 4.366 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -0.877 -16.359 3.540 1.00 14.44 H new