USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 589 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 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -60:sc= 0.73 USER MOD Single : A 33 MET CE :methyl -149:sc= -4.46! (180deg=-6.04!) USER MOD Single : A 36 THR OG1 : rot -126:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00683 USER MOD Single : A 39 ASN : amide:sc= -2.6 K(o=-2.6,f=-5.1!) USER MOD Single : A 41 GLN : amide:sc= -0.0328 K(o=-0.033,f=-1.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -3.15 K(o=-3.1,f=-6.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.38 K(o=-1.4,f=-6.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -130:sc= -0.675 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.348 F(o=-2.2,f=-0.35) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -12.840 5.658 -14.859 1.00 45.41 N ATOM 360 CA PHE A 22 -13.600 5.881 -16.083 1.00 61.54 C ATOM 361 C PHE A 22 -12.733 5.635 -17.314 1.00 64.55 C ATOM 362 O PHE A 22 -13.185 5.050 -18.300 1.00 42.31 O ATOM 363 CB PHE A 22 -14.154 7.306 -16.113 1.00 14.31 C ATOM 364 CG PHE A 22 -14.790 7.675 -17.423 1.00 13.23 C ATOM 365 CD1 PHE A 22 -15.969 7.071 -17.830 1.00 44.14 C ATOM 366 CD2 PHE A 22 -14.209 8.626 -18.247 1.00 32.24 C ATOM 367 CE1 PHE A 22 -16.557 7.409 -19.035 1.00 24.41 C ATOM 368 CE2 PHE A 22 -14.793 8.968 -19.452 1.00 22.51 C ATOM 369 CZ PHE A 22 -15.967 8.357 -19.847 1.00 52.31 C ATOM 0 HA PHE A 22 -14.431 5.175 -16.098 1.00 61.54 H new ATOM 0 HB2 PHE A 22 -14.890 7.418 -15.317 1.00 14.31 H new ATOM 0 HB3 PHE A 22 -13.346 8.006 -15.901 1.00 14.31 H new ATOM 0 HD1 PHE A 22 -16.434 6.328 -17.199 1.00 44.14 H new ATOM 0 HD2 PHE A 22 -13.290 9.105 -17.944 1.00 32.24 H new ATOM 0 HE1 PHE A 22 -17.477 6.932 -19.341 1.00 24.41 H new ATOM 0 HE2 PHE A 22 -14.332 9.712 -20.084 1.00 22.51 H new ATOM 0 HZ PHE A 22 -16.423 8.620 -20.790 1.00 52.31 H new ATOM 379 N LEU A 23 -11.484 6.085 -17.251 1.00 34.32 N ATOM 380 CA LEU A 23 -10.552 5.915 -18.360 1.00 32.31 C ATOM 381 C LEU A 23 -9.990 4.497 -18.387 1.00 35.24 C ATOM 382 O LEU A 23 -9.620 3.986 -19.443 1.00 73.00 O ATOM 383 CB LEU A 23 -9.410 6.926 -18.251 1.00 43.13 C ATOM 384 CG LEU A 23 -9.808 8.400 -18.335 1.00 40.02 C ATOM 385 CD1 LEU A 23 -10.809 8.619 -19.459 1.00 45.52 C ATOM 386 CD2 LEU A 23 -10.382 8.874 -17.008 1.00 22.22 C ATOM 0 H LEU A 23 -11.094 6.570 -16.443 1.00 34.32 H new ATOM 0 HA LEU A 23 -11.095 6.088 -19.289 1.00 32.31 H new ATOM 0 HB2 LEU A 23 -8.896 6.763 -17.304 1.00 43.13 H new ATOM 0 HB3 LEU A 23 -8.691 6.719 -19.044 1.00 43.13 H new ATOM 0 HG LEU A 23 -8.915 8.986 -18.552 1.00 40.02 H new ATOM 0 HD11 LEU A 23 -11.081 9.674 -19.504 1.00 45.52 H new ATOM 0 HD12 LEU A 23 -10.363 8.319 -20.407 1.00 45.52 H new ATOM 0 HD13 LEU A 23 -11.702 8.022 -19.273 1.00 45.52 H new ATOM 0 HD21 LEU A 23 -10.660 9.925 -17.086 1.00 22.22 H new ATOM 0 HD22 LEU A 23 -11.264 8.283 -16.761 1.00 22.22 H new ATOM 0 HD23 LEU A 23 -9.634 8.754 -16.224 1.00 22.22 H new ATOM 398 N GLU A 24 -9.932 3.867 -17.218 1.00 34.55 N ATOM 399 CA GLU A 24 -9.417 2.507 -17.108 1.00 71.23 C ATOM 400 C GLU A 24 -10.308 1.525 -17.865 1.00 4.14 C ATOM 401 O GLU A 24 -9.910 0.394 -18.138 1.00 71.52 O ATOM 402 CB GLU A 24 -9.316 2.093 -15.639 1.00 22.42 C ATOM 403 CG GLU A 24 -7.962 2.386 -15.016 1.00 4.34 C ATOM 404 CD GLU A 24 -7.936 2.118 -13.523 1.00 44.43 C ATOM 405 OE1 GLU A 24 -8.872 1.463 -13.021 1.00 71.43 O ATOM 406 OE2 GLU A 24 -6.978 2.565 -12.858 1.00 22.14 O ATOM 0 H GLU A 24 -10.235 4.276 -16.334 1.00 34.55 H new ATOM 0 HA GLU A 24 -8.422 2.486 -17.553 1.00 71.23 H new ATOM 0 HB2 GLU A 24 -10.088 2.611 -15.070 1.00 22.42 H new ATOM 0 HB3 GLU A 24 -9.521 1.026 -15.556 1.00 22.42 H new ATOM 0 HG2 GLU A 24 -7.202 1.776 -15.504 1.00 4.34 H new ATOM 0 HG3 GLU A 24 -7.700 3.428 -15.199 1.00 4.34 H new ATOM 413 N GLY A 25 -11.516 1.968 -18.199 1.00 60.10 N ATOM 414 CA GLY A 25 -12.445 1.117 -18.920 1.00 24.34 C ATOM 415 C GLY A 25 -12.092 0.987 -20.388 1.00 53.02 C ATOM 416 O GLY A 25 -12.533 0.054 -21.060 1.00 22.23 O ATOM 0 H GLY A 25 -11.868 2.901 -17.983 1.00 60.10 H new ATOM 0 HA2 GLY A 25 -12.456 0.127 -18.463 1.00 24.34 H new ATOM 0 HA3 GLY A 25 -13.452 1.523 -18.826 1.00 24.34 H new ATOM 420 N PHE A 26 -11.297 1.926 -20.889 1.00 51.34 N ATOM 421 CA PHE A 26 -10.888 1.915 -22.289 1.00 60.41 C ATOM 422 C PHE A 26 -9.446 1.436 -22.430 1.00 60.02 C ATOM 423 O PHE A 26 -8.699 1.387 -21.454 1.00 43.32 O ATOM 424 CB PHE A 26 -11.036 3.311 -22.897 1.00 63.23 C ATOM 425 CG PHE A 26 -12.381 3.932 -22.652 1.00 50.14 C ATOM 426 CD1 PHE A 26 -12.645 4.600 -21.468 1.00 2.34 C ATOM 427 CD2 PHE A 26 -13.382 3.848 -23.607 1.00 44.41 C ATOM 428 CE1 PHE A 26 -13.882 5.172 -21.240 1.00 12.24 C ATOM 429 CE2 PHE A 26 -14.621 4.419 -23.385 1.00 21.22 C ATOM 430 CZ PHE A 26 -14.871 5.082 -22.200 1.00 10.42 C ATOM 0 H PHE A 26 -10.923 2.705 -20.347 1.00 51.34 H new ATOM 0 HA PHE A 26 -11.537 1.223 -22.826 1.00 60.41 H new ATOM 0 HB2 PHE A 26 -10.264 3.961 -22.486 1.00 63.23 H new ATOM 0 HB3 PHE A 26 -10.863 3.251 -23.971 1.00 63.23 H new ATOM 0 HD1 PHE A 26 -11.875 4.675 -20.714 1.00 2.34 H new ATOM 0 HD2 PHE A 26 -13.192 3.330 -24.536 1.00 44.41 H new ATOM 0 HE1 PHE A 26 -14.075 5.689 -20.312 1.00 12.24 H new ATOM 0 HE2 PHE A 26 -15.392 4.347 -24.137 1.00 21.22 H new ATOM 0 HZ PHE A 26 -15.838 5.529 -22.024 1.00 10.42 H new ATOM 440 N ASN A 27 -9.063 1.083 -23.653 1.00 70.10 N ATOM 441 CA ASN A 27 -7.711 0.607 -23.923 1.00 32.31 C ATOM 442 C ASN A 27 -6.684 1.700 -23.645 1.00 22.30 C ATOM 443 O ASN A 27 -6.992 2.889 -23.723 1.00 1.41 O ATOM 444 CB ASN A 27 -7.594 0.138 -25.375 1.00 24.14 C ATOM 445 CG ASN A 27 -7.829 -1.353 -25.522 1.00 30.05 C ATOM 446 OD1 ASN A 27 -8.969 -1.806 -25.623 1.00 54.31 O ATOM 447 ND2 ASN A 27 -6.748 -2.124 -25.533 1.00 60.22 N ATOM 0 H ASN A 27 -9.670 1.118 -24.472 1.00 70.10 H new ATOM 0 HA ASN A 27 -7.509 -0.234 -23.259 1.00 32.31 H new ATOM 0 HB2 ASN A 27 -8.315 0.679 -25.988 1.00 24.14 H new ATOM 0 HB3 ASN A 27 -6.603 0.386 -25.755 1.00 24.14 H new ATOM 0 HD21 ASN A 27 -6.844 -3.135 -25.628 1.00 60.22 H new ATOM 0 HD22 ASN A 27 -5.822 -1.705 -25.446 1.00 60.22 H new ATOM 454 N ILE A 28 -5.463 1.288 -23.321 1.00 62.23 N ATOM 455 CA ILE A 28 -4.390 2.232 -23.034 1.00 21.43 C ATOM 456 C ILE A 28 -3.726 2.717 -24.318 1.00 1.12 C ATOM 457 O ILE A 28 -3.159 3.808 -24.360 1.00 42.30 O ATOM 458 CB ILE A 28 -3.319 1.606 -22.120 1.00 73.34 C ATOM 459 CG1 ILE A 28 -2.336 2.676 -21.642 1.00 54.42 C ATOM 460 CG2 ILE A 28 -2.584 0.493 -22.852 1.00 21.20 C ATOM 461 CD1 ILE A 28 -2.980 3.753 -20.797 1.00 20.04 C ATOM 0 H ILE A 28 -5.192 0.307 -23.251 1.00 62.23 H new ATOM 0 HA ILE A 28 -4.844 3.079 -22.521 1.00 21.43 H new ATOM 0 HB ILE A 28 -3.812 1.177 -21.248 1.00 73.34 H new ATOM 0 HG12 ILE A 28 -1.543 2.199 -21.066 1.00 54.42 H new ATOM 0 HG13 ILE A 28 -1.865 3.139 -22.509 1.00 54.42 H new ATOM 0 HG21 ILE A 28 -1.831 0.060 -22.194 1.00 21.20 H new ATOM 0 HG22 ILE A 28 -3.294 -0.279 -23.147 1.00 21.20 H new ATOM 0 HG23 ILE A 28 -2.100 0.899 -23.740 1.00 21.20 H new ATOM 0 HD11 ILE A 28 -2.224 4.478 -20.493 1.00 20.04 H new ATOM 0 HD12 ILE A 28 -3.753 4.257 -21.377 1.00 20.04 H new ATOM 0 HD13 ILE A 28 -3.427 3.302 -19.911 1.00 20.04 H new ATOM 473 N GLU A 29 -3.803 1.899 -25.363 1.00 44.31 N ATOM 474 CA GLU A 29 -3.209 2.247 -26.649 1.00 75.20 C ATOM 475 C GLU A 29 -4.068 3.271 -27.385 1.00 74.24 C ATOM 476 O GLU A 29 -3.562 4.076 -28.168 1.00 72.31 O ATOM 477 CB GLU A 29 -3.038 0.995 -27.511 1.00 65.44 C ATOM 478 CG GLU A 29 -4.352 0.376 -27.956 1.00 15.24 C ATOM 479 CD GLU A 29 -4.157 -0.791 -28.903 1.00 73.33 C ATOM 480 OE1 GLU A 29 -3.523 -1.787 -28.497 1.00 2.24 O ATOM 481 OE2 GLU A 29 -4.640 -0.709 -30.052 1.00 50.03 O ATOM 0 H GLU A 29 -4.270 0.992 -25.345 1.00 44.31 H new ATOM 0 HA GLU A 29 -2.230 2.687 -26.462 1.00 75.20 H new ATOM 0 HB2 GLU A 29 -2.449 1.249 -28.392 1.00 65.44 H new ATOM 0 HB3 GLU A 29 -2.469 0.254 -26.950 1.00 65.44 H new ATOM 0 HG2 GLU A 29 -4.905 0.039 -27.080 1.00 15.24 H new ATOM 0 HG3 GLU A 29 -4.961 1.137 -28.444 1.00 15.24 H new ATOM 488 N THR A 30 -5.373 3.234 -27.130 1.00 5.34 N ATOM 489 CA THR A 30 -6.303 4.157 -27.768 1.00 62.42 C ATOM 490 C THR A 30 -6.030 5.595 -27.344 1.00 23.13 C ATOM 491 O THR A 30 -6.423 6.540 -28.028 1.00 2.12 O ATOM 492 CB THR A 30 -7.764 3.803 -27.433 1.00 20.15 C ATOM 493 OG1 THR A 30 -7.974 3.881 -26.018 1.00 54.23 O ATOM 494 CG2 THR A 30 -8.109 2.406 -27.925 1.00 75.22 C ATOM 0 H THR A 30 -5.809 2.574 -26.486 1.00 5.34 H new ATOM 0 HA THR A 30 -6.152 4.064 -28.843 1.00 62.42 H new ATOM 0 HB THR A 30 -8.413 4.519 -27.937 1.00 20.15 H new ATOM 0 HG1 THR A 30 -7.373 3.255 -25.563 1.00 54.23 H new ATOM 0 HG21 THR A 30 -9.146 2.179 -27.677 1.00 75.22 H new ATOM 0 HG22 THR A 30 -7.975 2.358 -29.006 1.00 75.22 H new ATOM 0 HG23 THR A 30 -7.453 1.679 -27.445 1.00 75.22 H new ATOM 502 N PHE A 31 -5.353 5.754 -26.211 1.00 51.30 N ATOM 503 CA PHE A 31 -5.027 7.079 -25.695 1.00 74.30 C ATOM 504 C PHE A 31 -3.807 7.655 -26.407 1.00 70.11 C ATOM 505 O PHE A 31 -2.975 6.915 -26.930 1.00 62.14 O ATOM 506 CB PHE A 31 -4.769 7.013 -24.188 1.00 61.14 C ATOM 507 CG PHE A 31 -5.872 6.344 -23.420 1.00 31.25 C ATOM 508 CD1 PHE A 31 -7.195 6.504 -23.799 1.00 61.43 C ATOM 509 CD2 PHE A 31 -5.586 5.555 -22.317 1.00 12.34 C ATOM 510 CE1 PHE A 31 -8.213 5.889 -23.094 1.00 64.12 C ATOM 511 CE2 PHE A 31 -6.600 4.938 -21.608 1.00 25.11 C ATOM 512 CZ PHE A 31 -7.914 5.106 -21.996 1.00 73.14 C ATOM 0 H PHE A 31 -5.020 4.982 -25.633 1.00 51.30 H new ATOM 0 HA PHE A 31 -5.878 7.734 -25.883 1.00 74.30 H new ATOM 0 HB2 PHE A 31 -3.837 6.477 -24.010 1.00 61.14 H new ATOM 0 HB3 PHE A 31 -4.633 8.025 -23.806 1.00 61.14 H new ATOM 0 HD1 PHE A 31 -7.434 7.117 -24.656 1.00 61.43 H new ATOM 0 HD2 PHE A 31 -4.560 5.421 -22.008 1.00 12.34 H new ATOM 0 HE1 PHE A 31 -9.240 6.021 -23.401 1.00 64.12 H new ATOM 0 HE2 PHE A 31 -6.364 4.325 -20.751 1.00 25.11 H new ATOM 0 HZ PHE A 31 -8.707 4.626 -21.442 1.00 73.14 H new ATOM 522 N GLU A 32 -3.709 8.981 -26.422 1.00 73.44 N ATOM 523 CA GLU A 32 -2.592 9.656 -27.071 1.00 42.04 C ATOM 524 C GLU A 32 -2.124 10.851 -26.245 1.00 72.14 C ATOM 525 O GLU A 32 -2.922 11.710 -25.871 1.00 21.35 O ATOM 526 CB GLU A 32 -2.991 10.117 -28.475 1.00 11.23 C ATOM 527 CG GLU A 32 -3.412 8.981 -29.392 1.00 45.20 C ATOM 528 CD GLU A 32 -3.287 9.340 -30.860 1.00 42.10 C ATOM 529 OE1 GLU A 32 -2.172 9.213 -31.408 1.00 41.34 O ATOM 530 OE2 GLU A 32 -4.303 9.748 -31.460 1.00 70.21 O ATOM 0 H GLU A 32 -4.389 9.608 -25.992 1.00 73.44 H new ATOM 0 HA GLU A 32 -1.769 8.946 -27.150 1.00 42.04 H new ATOM 0 HB2 GLU A 32 -3.811 10.831 -28.395 1.00 11.23 H new ATOM 0 HB3 GLU A 32 -2.152 10.645 -28.927 1.00 11.23 H new ATOM 0 HG2 GLU A 32 -2.799 8.104 -29.183 1.00 45.20 H new ATOM 0 HG3 GLU A 32 -4.445 8.708 -29.175 1.00 45.20 H new ATOM 537 N MET A 33 -0.826 10.897 -25.965 1.00 41.43 N ATOM 538 CA MET A 33 -0.252 11.987 -25.184 1.00 64.22 C ATOM 539 C MET A 33 -0.654 13.340 -25.761 1.00 11.30 C ATOM 540 O MET A 33 -0.478 13.596 -26.952 1.00 61.23 O ATOM 541 CB MET A 33 1.273 11.868 -25.148 1.00 22.04 C ATOM 542 CG MET A 33 1.902 12.493 -23.913 1.00 41.52 C ATOM 543 SD MET A 33 2.300 14.237 -24.144 1.00 60.10 S ATOM 544 CE MET A 33 3.647 14.434 -22.980 1.00 64.45 C ATOM 0 H MET A 33 -0.152 10.193 -26.267 1.00 41.43 H new ATOM 0 HA MET A 33 -0.640 11.916 -24.168 1.00 64.22 H new ATOM 0 HB2 MET A 33 1.548 10.814 -25.192 1.00 22.04 H new ATOM 0 HB3 MET A 33 1.688 12.343 -26.037 1.00 22.04 H new ATOM 0 HG2 MET A 33 1.219 12.389 -23.070 1.00 41.52 H new ATOM 0 HG3 MET A 33 2.810 11.948 -23.657 1.00 41.52 H new ATOM 0 HE1 MET A 33 3.645 15.452 -22.590 1.00 64.45 H new ATOM 0 HE2 MET A 33 3.523 13.730 -22.157 1.00 64.45 H new ATOM 0 HE3 MET A 33 4.594 14.241 -23.484 1.00 64.45 H new ATOM 554 N VAL A 34 -1.196 14.205 -24.909 1.00 21.45 N ATOM 555 CA VAL A 34 -1.623 15.532 -25.334 1.00 4.33 C ATOM 556 C VAL A 34 -0.715 16.612 -24.756 1.00 13.54 C ATOM 557 O VAL A 34 -0.543 17.676 -25.349 1.00 44.03 O ATOM 558 CB VAL A 34 -3.076 15.817 -24.910 1.00 42.22 C ATOM 559 CG1 VAL A 34 -3.238 15.644 -23.408 1.00 31.42 C ATOM 560 CG2 VAL A 34 -3.492 17.215 -25.342 1.00 2.44 C ATOM 0 H VAL A 34 -1.350 14.010 -23.920 1.00 21.45 H new ATOM 0 HA VAL A 34 -1.560 15.552 -26.422 1.00 4.33 H new ATOM 0 HB VAL A 34 -3.729 15.099 -25.406 1.00 42.22 H new ATOM 0 HG11 VAL A 34 -4.271 15.850 -23.127 1.00 31.42 H new ATOM 0 HG12 VAL A 34 -2.983 14.621 -23.130 1.00 31.42 H new ATOM 0 HG13 VAL A 34 -2.576 16.337 -22.888 1.00 31.42 H new ATOM 0 HG21 VAL A 34 -4.521 17.400 -25.034 1.00 2.44 H new ATOM 0 HG22 VAL A 34 -2.836 17.950 -24.875 1.00 2.44 H new ATOM 0 HG23 VAL A 34 -3.417 17.298 -26.426 1.00 2.44 H new ATOM 570 N GLY A 35 -0.137 16.331 -23.592 1.00 5.40 N ATOM 571 CA GLY A 35 0.747 17.289 -22.952 1.00 71.25 C ATOM 572 C GLY A 35 1.158 16.857 -21.559 1.00 2.22 C ATOM 573 O GLY A 35 0.806 15.766 -21.108 1.00 51.44 O ATOM 0 H GLY A 35 -0.265 15.458 -23.081 1.00 5.40 H new ATOM 0 HA2 GLY A 35 1.638 17.423 -23.565 1.00 71.25 H new ATOM 0 HA3 GLY A 35 0.250 18.257 -22.897 1.00 71.25 H new ATOM 577 N THR A 36 1.908 17.714 -20.873 1.00 1.14 N ATOM 578 CA THR A 36 2.371 17.415 -19.523 1.00 75.23 C ATOM 579 C THR A 36 2.351 18.661 -18.646 1.00 42.43 C ATOM 580 O THR A 36 2.458 19.784 -19.142 1.00 74.24 O ATOM 581 CB THR A 36 3.796 16.831 -19.535 1.00 31.25 C ATOM 582 OG1 THR A 36 4.600 17.519 -20.499 1.00 53.21 O ATOM 583 CG2 THR A 36 3.769 15.344 -19.857 1.00 42.52 C ATOM 0 H THR A 36 2.208 18.621 -21.230 1.00 1.14 H new ATOM 0 HA THR A 36 1.686 16.674 -19.111 1.00 75.23 H new ATOM 0 HB THR A 36 4.227 16.964 -18.543 1.00 31.25 H new ATOM 0 HG1 THR A 36 5.003 16.869 -21.112 1.00 53.21 H new ATOM 0 HG21 THR A 36 4.787 14.954 -19.860 1.00 42.52 H new ATOM 0 HG22 THR A 36 3.181 14.819 -19.104 1.00 42.52 H new ATOM 0 HG23 THR A 36 3.320 15.192 -20.838 1.00 42.52 H new ATOM 591 N LEU A 37 2.216 18.458 -17.341 1.00 15.25 N ATOM 592 CA LEU A 37 2.183 19.567 -16.393 1.00 22.00 C ATOM 593 C LEU A 37 3.289 19.426 -15.352 1.00 32.23 C ATOM 594 O LEU A 37 3.574 18.325 -14.880 1.00 45.14 O ATOM 595 CB LEU A 37 0.821 19.633 -15.701 1.00 75.30 C ATOM 596 CG LEU A 37 0.557 20.878 -14.854 1.00 4.13 C ATOM 597 CD1 LEU A 37 1.274 20.775 -13.516 1.00 71.13 C ATOM 598 CD2 LEU A 37 0.992 22.132 -15.599 1.00 25.34 C ATOM 0 H LEU A 37 2.128 17.536 -16.914 1.00 15.25 H new ATOM 0 HA LEU A 37 2.346 20.491 -16.947 1.00 22.00 H new ATOM 0 HB2 LEU A 37 0.045 19.566 -16.464 1.00 75.30 H new ATOM 0 HB3 LEU A 37 0.717 18.755 -15.063 1.00 75.30 H new ATOM 0 HG LEU A 37 -0.514 20.945 -14.665 1.00 4.13 H new ATOM 0 HD11 LEU A 37 1.075 21.670 -12.927 1.00 71.13 H new ATOM 0 HD12 LEU A 37 0.915 19.898 -12.977 1.00 71.13 H new ATOM 0 HD13 LEU A 37 2.347 20.683 -13.684 1.00 71.13 H new ATOM 0 HD21 LEU A 37 0.797 23.008 -14.981 1.00 25.34 H new ATOM 0 HD22 LEU A 37 2.058 22.073 -15.819 1.00 25.34 H new ATOM 0 HD23 LEU A 37 0.433 22.214 -16.531 1.00 25.34 H new ATOM 610 N SER A 38 3.906 20.548 -14.996 1.00 30.14 N ATOM 611 CA SER A 38 4.981 20.549 -14.011 1.00 4.22 C ATOM 612 C SER A 38 4.937 21.815 -13.159 1.00 71.55 C ATOM 613 O SER A 38 4.836 22.924 -13.682 1.00 25.23 O ATOM 614 CB SER A 38 6.339 20.437 -14.707 1.00 21.10 C ATOM 615 OG SER A 38 6.757 21.692 -15.216 1.00 32.14 O ATOM 0 H SER A 38 3.680 21.468 -15.375 1.00 30.14 H new ATOM 0 HA SER A 38 4.842 19.687 -13.358 1.00 4.22 H new ATOM 0 HB2 SER A 38 7.082 20.061 -14.003 1.00 21.10 H new ATOM 0 HB3 SER A 38 6.276 19.714 -15.520 1.00 21.10 H new ATOM 0 HG SER A 38 7.628 21.594 -15.654 1.00 32.14 H new ATOM 621 N ASN A 39 5.012 21.638 -11.844 1.00 43.13 N ATOM 622 CA ASN A 39 4.980 22.765 -10.919 1.00 30.11 C ATOM 623 C ASN A 39 5.454 22.343 -9.531 1.00 52.14 C ATOM 624 O ASN A 39 5.972 21.242 -9.349 1.00 74.34 O ATOM 625 CB ASN A 39 3.565 23.341 -10.834 1.00 2.33 C ATOM 626 CG ASN A 39 2.629 22.459 -10.032 1.00 33.54 C ATOM 627 OD1 ASN A 39 2.044 22.895 -9.040 1.00 30.52 O ATOM 628 ND2 ASN A 39 2.482 21.210 -10.459 1.00 24.44 N ATOM 0 H ASN A 39 5.095 20.726 -11.395 1.00 43.13 H new ATOM 0 HA ASN A 39 5.656 23.533 -11.296 1.00 30.11 H new ATOM 0 HB2 ASN A 39 3.605 24.331 -10.380 1.00 2.33 H new ATOM 0 HB3 ASN A 39 3.166 23.468 -11.841 1.00 2.33 H new ATOM 0 HD21 ASN A 39 1.865 20.570 -9.960 1.00 24.44 H new ATOM 0 HD22 ASN A 39 2.987 20.891 -11.286 1.00 24.44 H new ATOM 635 N ALA A 40 5.272 23.227 -8.556 1.00 11.21 N ATOM 636 CA ALA A 40 5.678 22.946 -7.185 1.00 30.14 C ATOM 637 C ALA A 40 5.096 21.622 -6.700 1.00 40.32 C ATOM 638 O ALA A 40 5.724 20.907 -5.921 1.00 23.51 O ATOM 639 CB ALA A 40 5.251 24.080 -6.265 1.00 5.44 C ATOM 0 H ALA A 40 4.846 24.144 -8.690 1.00 11.21 H new ATOM 0 HA ALA A 40 6.765 22.865 -7.164 1.00 30.14 H new ATOM 0 HB1 ALA A 40 5.561 23.857 -5.244 1.00 5.44 H new ATOM 0 HB2 ALA A 40 5.719 25.009 -6.591 1.00 5.44 H new ATOM 0 HB3 ALA A 40 4.167 24.188 -6.300 1.00 5.44 H new ATOM 645 N GLN A 41 3.893 21.304 -7.166 1.00 53.44 N ATOM 646 CA GLN A 41 3.226 20.067 -6.779 1.00 22.24 C ATOM 647 C GLN A 41 4.019 18.851 -7.249 1.00 14.42 C ATOM 648 O GLN A 41 4.001 17.801 -6.609 1.00 32.21 O ATOM 649 CB GLN A 41 1.811 20.022 -7.357 1.00 13.34 C ATOM 650 CG GLN A 41 0.720 20.087 -6.300 1.00 13.11 C ATOM 651 CD GLN A 41 -0.654 19.774 -6.859 1.00 51.44 C ATOM 652 OE1 GLN A 41 -0.866 18.724 -7.466 1.00 45.15 O ATOM 653 NE2 GLN A 41 -1.597 20.687 -6.658 1.00 35.24 N ATOM 0 H GLN A 41 3.360 21.886 -7.812 1.00 53.44 H new ATOM 0 HA GLN A 41 3.167 20.042 -5.691 1.00 22.24 H new ATOM 0 HB2 GLN A 41 1.684 20.854 -8.050 1.00 13.34 H new ATOM 0 HB3 GLN A 41 1.692 19.105 -7.934 1.00 13.34 H new ATOM 0 HG2 GLN A 41 0.952 19.383 -5.501 1.00 13.11 H new ATOM 0 HG3 GLN A 41 0.709 21.082 -5.855 1.00 13.11 H new ATOM 0 HE21 GLN A 41 -1.378 21.543 -6.149 1.00 35.24 H new ATOM 0 HE22 GLN A 41 -2.541 20.532 -7.012 1.00 35.24 H new ATOM 662 N GLY A 42 4.713 19.002 -8.372 1.00 45.43 N ATOM 663 CA GLY A 42 5.502 17.909 -8.909 1.00 62.13 C ATOM 664 C GLY A 42 5.350 17.767 -10.411 1.00 4.41 C ATOM 665 O GLY A 42 5.220 18.761 -11.126 1.00 52.34 O ATOM 0 H GLY A 42 4.743 19.862 -8.920 1.00 45.43 H new ATOM 0 HA2 GLY A 42 6.552 18.070 -8.667 1.00 62.13 H new ATOM 0 HA3 GLY A 42 5.203 16.978 -8.427 1.00 62.13 H new ATOM 669 N THR A 43 5.369 16.528 -10.892 1.00 1.20 N ATOM 670 CA THR A 43 5.235 16.260 -12.318 1.00 65.12 C ATOM 671 C THR A 43 3.961 15.478 -12.613 1.00 71.45 C ATOM 672 O THR A 43 3.627 14.526 -11.908 1.00 22.44 O ATOM 673 CB THR A 43 6.444 15.472 -12.857 1.00 44.13 C ATOM 674 OG1 THR A 43 7.568 15.642 -11.986 1.00 32.32 O ATOM 675 CG2 THR A 43 6.810 15.934 -14.260 1.00 13.42 C ATOM 0 H THR A 43 5.476 15.694 -10.314 1.00 1.20 H new ATOM 0 HA THR A 43 5.188 17.227 -12.819 1.00 65.12 H new ATOM 0 HB THR A 43 6.172 14.417 -12.898 1.00 44.13 H new ATOM 0 HG1 THR A 43 8.332 15.137 -12.335 1.00 32.32 H new ATOM 0 HG21 THR A 43 7.666 15.363 -14.619 1.00 13.42 H new ATOM 0 HG22 THR A 43 5.963 15.776 -14.928 1.00 13.42 H new ATOM 0 HG23 THR A 43 7.063 16.994 -14.240 1.00 13.42 H new ATOM 683 N PHE A 44 3.252 15.884 -13.661 1.00 51.23 N ATOM 684 CA PHE A 44 2.013 15.221 -14.050 1.00 32.20 C ATOM 685 C PHE A 44 1.970 14.988 -15.557 1.00 50.44 C ATOM 686 O PHE A 44 2.602 15.712 -16.326 1.00 4.10 O ATOM 687 CB PHE A 44 0.805 16.055 -13.617 1.00 24.34 C ATOM 688 CG PHE A 44 0.820 16.418 -12.159 1.00 51.44 C ATOM 689 CD1 PHE A 44 1.560 17.499 -11.709 1.00 3.32 C ATOM 690 CD2 PHE A 44 0.093 15.679 -11.240 1.00 65.20 C ATOM 691 CE1 PHE A 44 1.576 17.837 -10.369 1.00 34.15 C ATOM 692 CE2 PHE A 44 0.105 16.012 -9.899 1.00 35.23 C ATOM 693 CZ PHE A 44 0.847 17.091 -9.462 1.00 44.42 C ATOM 0 H PHE A 44 3.515 16.669 -14.256 1.00 51.23 H new ATOM 0 HA PHE A 44 1.976 14.253 -13.549 1.00 32.20 H new ATOM 0 HB2 PHE A 44 0.772 16.969 -14.211 1.00 24.34 H new ATOM 0 HB3 PHE A 44 -0.107 15.500 -13.836 1.00 24.34 H new ATOM 0 HD1 PHE A 44 2.131 18.085 -12.414 1.00 3.32 H new ATOM 0 HD2 PHE A 44 -0.489 14.834 -11.575 1.00 65.20 H new ATOM 0 HE1 PHE A 44 2.157 18.682 -10.031 1.00 34.15 H new ATOM 0 HE2 PHE A 44 -0.466 15.428 -9.193 1.00 35.23 H new ATOM 0 HZ PHE A 44 0.858 17.352 -8.414 1.00 44.42 H new ATOM 703 N ALA A 45 1.220 13.973 -15.972 1.00 73.04 N ATOM 704 CA ALA A 45 1.093 13.645 -17.387 1.00 54.20 C ATOM 705 C ALA A 45 -0.332 13.879 -17.879 1.00 2.02 C ATOM 706 O ALA A 45 -1.299 13.576 -17.179 1.00 1.23 O ATOM 707 CB ALA A 45 1.508 12.203 -17.634 1.00 21.51 C ATOM 0 H ALA A 45 0.691 13.363 -15.349 1.00 73.04 H new ATOM 0 HA ALA A 45 1.756 14.303 -17.948 1.00 54.20 H new ATOM 0 HB1 ALA A 45 1.408 11.972 -18.695 1.00 21.51 H new ATOM 0 HB2 ALA A 45 2.545 12.066 -17.329 1.00 21.51 H new ATOM 0 HB3 ALA A 45 0.868 11.536 -17.056 1.00 21.51 H new ATOM 713 N LEU A 46 -0.454 14.420 -19.086 1.00 34.11 N ATOM 714 CA LEU A 46 -1.762 14.695 -19.672 1.00 2.33 C ATOM 715 C LEU A 46 -1.951 13.919 -20.971 1.00 20.32 C ATOM 716 O LEU A 46 -1.237 14.140 -21.949 1.00 3.44 O ATOM 717 CB LEU A 46 -1.920 16.194 -19.933 1.00 12.25 C ATOM 718 CG LEU A 46 -1.347 17.126 -18.864 1.00 33.32 C ATOM 719 CD1 LEU A 46 -1.692 18.573 -19.177 1.00 15.32 C ATOM 720 CD2 LEU A 46 -1.864 16.738 -17.486 1.00 10.11 C ATOM 0 H LEU A 46 0.336 14.677 -19.678 1.00 34.11 H new ATOM 0 HA LEU A 46 -2.525 14.373 -18.964 1.00 2.33 H new ATOM 0 HB2 LEU A 46 -1.443 16.429 -20.885 1.00 12.25 H new ATOM 0 HB3 LEU A 46 -2.982 16.413 -20.046 1.00 12.25 H new ATOM 0 HG LEU A 46 -0.262 17.025 -18.865 1.00 33.32 H new ATOM 0 HD11 LEU A 46 -1.276 19.221 -18.406 1.00 15.32 H new ATOM 0 HD12 LEU A 46 -1.272 18.846 -20.145 1.00 15.32 H new ATOM 0 HD13 LEU A 46 -2.775 18.691 -19.205 1.00 15.32 H new ATOM 0 HD21 LEU A 46 -1.446 17.412 -16.738 1.00 10.11 H new ATOM 0 HD22 LEU A 46 -2.952 16.810 -17.472 1.00 10.11 H new ATOM 0 HD23 LEU A 46 -1.565 15.714 -17.260 1.00 10.11 H new ATOM 732 N VAL A 47 -2.920 13.008 -20.974 1.00 44.34 N ATOM 733 CA VAL A 47 -3.205 12.201 -22.154 1.00 75.23 C ATOM 734 C VAL A 47 -4.612 12.470 -22.677 1.00 32.03 C ATOM 735 O VAL A 47 -5.481 12.940 -21.941 1.00 64.12 O ATOM 736 CB VAL A 47 -3.060 10.697 -21.854 1.00 52.20 C ATOM 737 CG1 VAL A 47 -4.207 10.214 -20.980 1.00 30.25 C ATOM 738 CG2 VAL A 47 -2.993 9.900 -23.148 1.00 1.01 C ATOM 0 H VAL A 47 -3.520 12.811 -20.173 1.00 44.34 H new ATOM 0 HA VAL A 47 -2.477 12.484 -22.914 1.00 75.23 H new ATOM 0 HB VAL A 47 -2.129 10.541 -21.309 1.00 52.20 H new ATOM 0 HG11 VAL A 47 -4.088 9.149 -20.779 1.00 30.25 H new ATOM 0 HG12 VAL A 47 -4.204 10.764 -20.039 1.00 30.25 H new ATOM 0 HG13 VAL A 47 -5.153 10.382 -21.495 1.00 30.25 H new ATOM 0 HG21 VAL A 47 -2.891 8.840 -22.917 1.00 1.01 H new ATOM 0 HG22 VAL A 47 -3.906 10.060 -23.722 1.00 1.01 H new ATOM 0 HG23 VAL A 47 -2.134 10.228 -23.734 1.00 1.01 H new ATOM 748 N LYS A 48 -4.831 12.169 -23.952 1.00 73.41 N ATOM 749 CA LYS A 48 -6.133 12.376 -24.575 1.00 34.31 C ATOM 750 C LYS A 48 -6.772 11.044 -24.957 1.00 44.11 C ATOM 751 O LYS A 48 -6.097 10.139 -25.447 1.00 11.24 O ATOM 752 CB LYS A 48 -5.993 13.261 -25.815 1.00 73.14 C ATOM 753 CG LYS A 48 -7.313 13.549 -26.509 1.00 54.02 C ATOM 754 CD LYS A 48 -7.103 13.987 -27.949 1.00 22.21 C ATOM 755 CE LYS A 48 -8.366 13.805 -28.777 1.00 44.41 C ATOM 756 NZ LYS A 48 -8.094 13.925 -30.236 1.00 40.33 N ATOM 0 H LYS A 48 -4.123 11.780 -24.575 1.00 73.41 H new ATOM 0 HA LYS A 48 -6.779 12.874 -23.852 1.00 34.31 H new ATOM 0 HB2 LYS A 48 -5.530 14.205 -25.527 1.00 73.14 H new ATOM 0 HB3 LYS A 48 -5.318 12.778 -26.522 1.00 73.14 H new ATOM 0 HG2 LYS A 48 -7.939 12.657 -26.487 1.00 54.02 H new ATOM 0 HG3 LYS A 48 -7.848 14.327 -25.966 1.00 54.02 H new ATOM 0 HD2 LYS A 48 -6.800 15.034 -27.971 1.00 22.21 H new ATOM 0 HD3 LYS A 48 -6.291 13.410 -28.391 1.00 22.21 H new ATOM 0 HE2 LYS A 48 -8.800 12.827 -28.568 1.00 44.41 H new ATOM 0 HE3 LYS A 48 -9.104 14.551 -28.482 1.00 44.41 H new ATOM 0 HZ1 LYS A 48 -8.979 13.795 -30.766 1.00 40.33 H new ATOM 0 HZ2 LYS A 48 -7.704 14.867 -30.440 1.00 40.33 H new ATOM 0 HZ3 LYS A 48 -7.409 13.197 -30.522 1.00 40.33 H new ATOM 770 N GLY A 49 -8.077 10.932 -24.731 1.00 52.02 N ATOM 771 CA GLY A 49 -8.784 9.708 -25.059 1.00 74.02 C ATOM 772 C GLY A 49 -10.256 9.776 -24.704 1.00 34.22 C ATOM 773 O GLY A 49 -10.883 10.828 -24.824 1.00 1.22 O ATOM 0 H GLY A 49 -8.657 11.667 -24.327 1.00 52.02 H new ATOM 0 HA2 GLY A 49 -8.679 9.506 -26.125 1.00 74.02 H new ATOM 0 HA3 GLY A 49 -8.324 8.873 -24.530 1.00 74.02 H new ATOM 777 N ALA A 50 -10.810 8.650 -24.267 1.00 34.34 N ATOM 778 CA ALA A 50 -12.218 8.586 -23.893 1.00 22.25 C ATOM 779 C ALA A 50 -12.578 9.702 -22.917 1.00 62.53 C ATOM 780 O ALA A 50 -12.060 9.756 -21.803 1.00 10.13 O ATOM 781 CB ALA A 50 -12.542 7.228 -23.287 1.00 42.11 C ATOM 0 H ALA A 50 -10.306 7.770 -24.163 1.00 34.34 H new ATOM 0 HA ALA A 50 -12.815 8.721 -24.795 1.00 22.25 H new ATOM 0 HB1 ALA A 50 -13.596 7.194 -23.012 1.00 42.11 H new ATOM 0 HB2 ALA A 50 -12.332 6.445 -24.015 1.00 42.11 H new ATOM 0 HB3 ALA A 50 -11.931 7.071 -22.398 1.00 42.11 H new ATOM 787 N GLY A 51 -13.469 10.591 -23.345 1.00 43.04 N ATOM 788 CA GLY A 51 -13.882 11.694 -22.498 1.00 2.13 C ATOM 789 C GLY A 51 -13.240 13.007 -22.901 1.00 23.25 C ATOM 790 O GLY A 51 -13.866 14.063 -22.821 1.00 73.41 O ATOM 0 H GLY A 51 -13.912 10.567 -24.263 1.00 43.04 H new ATOM 0 HA2 GLY A 51 -14.966 11.795 -22.541 1.00 2.13 H new ATOM 0 HA3 GLY A 51 -13.624 11.470 -21.463 1.00 2.13 H new ATOM 794 N GLY A 52 -11.984 12.942 -23.333 1.00 71.32 N ATOM 795 CA GLY A 52 -11.277 14.141 -23.742 1.00 10.54 C ATOM 796 C GLY A 52 -9.844 14.167 -23.248 1.00 32.45 C ATOM 797 O GLY A 52 -8.953 13.597 -23.877 1.00 44.00 O ATOM 0 H GLY A 52 -11.444 12.080 -23.407 1.00 71.32 H new ATOM 0 HA2 GLY A 52 -11.284 14.210 -24.830 1.00 10.54 H new ATOM 0 HA3 GLY A 52 -11.804 15.017 -23.364 1.00 10.54 H new ATOM 801 N VAL A 53 -9.621 14.830 -22.118 1.00 0.25 N ATOM 802 CA VAL A 53 -8.286 14.928 -21.539 1.00 51.14 C ATOM 803 C VAL A 53 -8.237 14.285 -20.158 1.00 61.11 C ATOM 804 O VAL A 53 -9.158 14.441 -19.355 1.00 44.24 O ATOM 805 CB VAL A 53 -7.829 16.395 -21.427 1.00 72.33 C ATOM 806 CG1 VAL A 53 -7.379 16.919 -22.782 1.00 51.04 C ATOM 807 CG2 VAL A 53 -8.944 17.258 -20.856 1.00 73.52 C ATOM 0 H VAL A 53 -10.348 15.308 -21.585 1.00 0.25 H new ATOM 0 HA VAL A 53 -7.611 14.395 -22.209 1.00 51.14 H new ATOM 0 HB VAL A 53 -6.979 16.442 -20.746 1.00 72.33 H new ATOM 0 HG11 VAL A 53 -7.060 17.957 -22.683 1.00 51.04 H new ATOM 0 HG12 VAL A 53 -6.547 16.317 -23.147 1.00 51.04 H new ATOM 0 HG13 VAL A 53 -8.207 16.860 -23.488 1.00 51.04 H new ATOM 0 HG21 VAL A 53 -8.604 18.291 -20.784 1.00 73.52 H new ATOM 0 HG22 VAL A 53 -9.814 17.207 -21.510 1.00 73.52 H new ATOM 0 HG23 VAL A 53 -9.214 16.895 -19.864 1.00 73.52 H new ATOM 817 N HIS A 54 -7.156 13.561 -19.887 1.00 23.24 N ATOM 818 CA HIS A 54 -6.985 12.894 -18.601 1.00 13.04 C ATOM 819 C HIS A 54 -5.671 13.307 -17.944 1.00 54.32 C ATOM 820 O HIS A 54 -4.654 13.469 -18.618 1.00 22.21 O ATOM 821 CB HIS A 54 -7.024 11.376 -18.780 1.00 42.12 C ATOM 822 CG HIS A 54 -7.874 10.930 -19.930 1.00 1.50 C ATOM 823 ND1 HIS A 54 -7.485 9.949 -20.817 1.00 53.12 N ATOM 824 CD2 HIS A 54 -9.100 11.337 -20.334 1.00 40.13 C ATOM 825 CE1 HIS A 54 -8.435 9.773 -21.719 1.00 22.54 C ATOM 826 NE2 HIS A 54 -9.426 10.602 -21.448 1.00 0.43 N ATOM 0 H HIS A 54 -6.385 13.421 -20.540 1.00 23.24 H new ATOM 0 HA HIS A 54 -7.806 13.197 -17.951 1.00 13.04 H new ATOM 0 HB2 HIS A 54 -6.008 11.009 -18.926 1.00 42.12 H new ATOM 0 HB3 HIS A 54 -7.399 10.920 -17.864 1.00 42.12 H new ATOM 0 HD2 HIS A 54 -9.709 12.098 -19.868 1.00 40.13 H new ATOM 0 HE1 HIS A 54 -8.406 9.070 -22.539 1.00 22.54 H new ATOM 0 HE2 HIS A 54 -10.293 10.684 -21.979 1.00 0.43 H new ATOM 834 N ARG A 55 -5.702 13.477 -16.626 1.00 44.35 N ATOM 835 CA ARG A 55 -4.514 13.874 -15.880 1.00 22.32 C ATOM 836 C ARG A 55 -4.119 12.796 -14.874 1.00 14.53 C ATOM 837 O ARG A 55 -4.932 12.373 -14.051 1.00 5.52 O ATOM 838 CB ARG A 55 -4.759 15.198 -15.155 1.00 14.30 C ATOM 839 CG ARG A 55 -5.823 15.112 -14.072 1.00 41.14 C ATOM 840 CD ARG A 55 -6.142 16.482 -13.494 1.00 64.03 C ATOM 841 NE ARG A 55 -7.578 16.746 -13.472 1.00 42.24 N ATOM 842 CZ ARG A 55 -8.423 16.145 -12.642 1.00 50.34 C ATOM 843 NH1 ARG A 55 -7.978 15.251 -11.771 1.00 31.24 N ATOM 844 NH2 ARG A 55 -9.716 16.439 -12.683 1.00 14.11 N ATOM 0 H ARG A 55 -6.536 13.346 -16.054 1.00 44.35 H new ATOM 0 HA ARG A 55 -3.696 14.003 -16.589 1.00 22.32 H new ATOM 0 HB2 ARG A 55 -3.824 15.536 -14.708 1.00 14.30 H new ATOM 0 HB3 ARG A 55 -5.055 15.952 -15.884 1.00 14.30 H new ATOM 0 HG2 ARG A 55 -6.730 14.670 -14.486 1.00 41.14 H new ATOM 0 HG3 ARG A 55 -5.481 14.451 -13.276 1.00 41.14 H new ATOM 0 HD2 ARG A 55 -5.746 16.549 -12.481 1.00 64.03 H new ATOM 0 HD3 ARG A 55 -5.641 17.250 -14.084 1.00 64.03 H new ATOM 0 HE ARG A 55 -7.953 17.429 -14.130 1.00 42.24 H new ATOM 0 HH11 ARG A 55 -6.984 15.023 -11.737 1.00 31.24 H new ATOM 0 HH12 ARG A 55 -8.629 14.791 -11.135 1.00 31.24 H new ATOM 0 HH21 ARG A 55 -10.062 17.127 -13.352 1.00 14.11 H new ATOM 0 HH22 ARG A 55 -10.364 15.977 -12.045 1.00 14.11 H new ATOM 858 N VAL A 56 -2.867 12.356 -14.946 1.00 53.21 N ATOM 859 CA VAL A 56 -2.365 11.329 -14.042 1.00 24.12 C ATOM 860 C VAL A 56 -0.912 11.593 -13.663 1.00 2.32 C ATOM 861 O VAL A 56 -0.121 12.059 -14.483 1.00 65.31 O ATOM 862 CB VAL A 56 -2.473 9.927 -14.670 1.00 22.42 C ATOM 863 CG1 VAL A 56 -3.918 9.451 -14.669 1.00 64.00 C ATOM 864 CG2 VAL A 56 -1.905 9.930 -16.081 1.00 3.10 C ATOM 0 H VAL A 56 -2.182 12.695 -15.621 1.00 53.21 H new ATOM 0 HA VAL A 56 -2.984 11.366 -13.146 1.00 24.12 H new ATOM 0 HB VAL A 56 -1.887 9.233 -14.068 1.00 22.42 H new ATOM 0 HG11 VAL A 56 -3.975 8.459 -15.117 1.00 64.00 H new ATOM 0 HG12 VAL A 56 -4.286 9.408 -13.644 1.00 64.00 H new ATOM 0 HG13 VAL A 56 -4.530 10.145 -15.246 1.00 64.00 H new ATOM 0 HG21 VAL A 56 -1.990 8.931 -16.509 1.00 3.10 H new ATOM 0 HG22 VAL A 56 -2.462 10.637 -16.696 1.00 3.10 H new ATOM 0 HG23 VAL A 56 -0.856 10.224 -16.050 1.00 3.10 H new ATOM 874 N ARG A 57 -0.568 11.293 -12.415 1.00 5.02 N ATOM 875 CA ARG A 57 0.791 11.499 -11.926 1.00 74.13 C ATOM 876 C ARG A 57 1.505 10.165 -11.729 1.00 3.43 C ATOM 877 O ARG A 57 0.909 9.100 -11.887 1.00 61.01 O ATOM 878 CB ARG A 57 0.769 12.278 -10.610 1.00 42.32 C ATOM 879 CG ARG A 57 0.278 11.461 -9.426 1.00 41.34 C ATOM 880 CD ARG A 57 0.151 12.315 -8.175 1.00 13.25 C ATOM 881 NE ARG A 57 -1.100 13.069 -8.151 1.00 31.31 N ATOM 882 CZ ARG A 57 -1.591 13.643 -7.059 1.00 14.23 C ATOM 883 NH1 ARG A 57 -0.941 13.551 -5.907 1.00 63.12 N ATOM 884 NH2 ARG A 57 -2.736 14.312 -7.117 1.00 41.20 N ATOM 0 H ARG A 57 -1.211 10.907 -11.724 1.00 5.02 H new ATOM 0 HA ARG A 57 1.336 12.076 -12.673 1.00 74.13 H new ATOM 0 HB2 ARG A 57 1.774 12.643 -10.397 1.00 42.32 H new ATOM 0 HB3 ARG A 57 0.130 13.153 -10.726 1.00 42.32 H new ATOM 0 HG2 ARG A 57 -0.689 11.017 -9.665 1.00 41.34 H new ATOM 0 HG3 ARG A 57 0.969 10.639 -9.238 1.00 41.34 H new ATOM 0 HD2 ARG A 57 0.206 11.677 -7.293 1.00 13.25 H new ATOM 0 HD3 ARG A 57 0.992 13.006 -8.121 1.00 13.25 H new ATOM 0 HE ARG A 57 -1.625 13.159 -9.021 1.00 31.31 H new ATOM 0 HH11 ARG A 57 -0.061 13.038 -5.858 1.00 63.12 H new ATOM 0 HH12 ARG A 57 -1.321 13.993 -5.070 1.00 63.12 H new ATOM 0 HH21 ARG A 57 -3.240 14.385 -8.001 1.00 41.20 H new ATOM 0 HH22 ARG A 57 -3.112 14.753 -6.278 1.00 41.20 H new ATOM 898 N VAL A 58 2.787 10.232 -11.382 1.00 51.31 N ATOM 899 CA VAL A 58 3.583 9.031 -11.162 1.00 61.11 C ATOM 900 C VAL A 58 2.889 8.081 -10.192 1.00 51.42 C ATOM 901 O VAL A 58 2.587 8.448 -9.057 1.00 70.03 O ATOM 902 CB VAL A 58 4.980 9.376 -10.614 1.00 4.22 C ATOM 903 CG1 VAL A 58 4.866 10.209 -9.346 1.00 51.02 C ATOM 904 CG2 VAL A 58 5.780 8.108 -10.358 1.00 22.32 C ATOM 0 H VAL A 58 3.296 11.106 -11.247 1.00 51.31 H new ATOM 0 HA VAL A 58 3.691 8.542 -12.130 1.00 61.11 H new ATOM 0 HB VAL A 58 5.508 9.967 -11.362 1.00 4.22 H new ATOM 0 HG11 VAL A 58 5.863 10.443 -8.973 1.00 51.02 H new ATOM 0 HG12 VAL A 58 4.334 11.135 -9.565 1.00 51.02 H new ATOM 0 HG13 VAL A 58 4.319 9.647 -8.589 1.00 51.02 H new ATOM 0 HG21 VAL A 58 6.765 8.371 -9.971 1.00 22.32 H new ATOM 0 HG22 VAL A 58 5.257 7.489 -9.629 1.00 22.32 H new ATOM 0 HG23 VAL A 58 5.893 7.554 -11.290 1.00 22.32 H new ATOM 914 N GLY A 59 2.639 6.857 -10.648 1.00 14.45 N ATOM 915 CA GLY A 59 1.982 5.873 -9.807 1.00 51.32 C ATOM 916 C GLY A 59 0.541 5.634 -10.212 1.00 51.03 C ATOM 917 O GLY A 59 0.006 4.543 -10.013 1.00 13.43 O ATOM 0 H GLY A 59 2.879 6.530 -11.584 1.00 14.45 H new ATOM 0 HA2 GLY A 59 2.531 4.933 -9.857 1.00 51.32 H new ATOM 0 HA3 GLY A 59 2.014 6.206 -8.770 1.00 51.32 H new ATOM 921 N ASP A 60 -0.089 6.656 -10.781 1.00 73.32 N ATOM 922 CA ASP A 60 -1.478 6.552 -11.215 1.00 22.11 C ATOM 923 C ASP A 60 -1.658 5.389 -12.186 1.00 13.22 C ATOM 924 O ASP A 60 -0.693 4.720 -12.556 1.00 1.44 O ATOM 925 CB ASP A 60 -1.928 7.857 -11.873 1.00 44.04 C ATOM 926 CG ASP A 60 -2.286 8.924 -10.858 1.00 53.21 C ATOM 927 OD1 ASP A 60 -1.931 8.759 -9.672 1.00 70.41 O ATOM 928 OD2 ASP A 60 -2.921 9.925 -11.250 1.00 14.45 O ATOM 0 H ASP A 60 0.340 7.566 -10.953 1.00 73.32 H new ATOM 0 HA ASP A 60 -2.095 6.366 -10.336 1.00 22.11 H new ATOM 0 HB2 ASP A 60 -1.133 8.227 -12.520 1.00 44.04 H new ATOM 0 HB3 ASP A 60 -2.791 7.661 -12.509 1.00 44.04 H new ATOM 933 N TYR A 61 -2.900 5.153 -12.594 1.00 12.52 N ATOM 934 CA TYR A 61 -3.208 4.069 -13.519 1.00 0.31 C ATOM 935 C TYR A 61 -4.136 4.549 -14.631 1.00 64.12 C ATOM 936 O TYR A 61 -5.001 5.397 -14.411 1.00 53.25 O ATOM 937 CB TYR A 61 -3.852 2.900 -12.771 1.00 43.24 C ATOM 938 CG TYR A 61 -3.017 2.384 -11.621 1.00 61.45 C ATOM 939 CD1 TYR A 61 -3.133 2.933 -10.351 1.00 33.23 C ATOM 940 CD2 TYR A 61 -2.112 1.345 -11.806 1.00 12.11 C ATOM 941 CE1 TYR A 61 -2.372 2.464 -9.298 1.00 10.35 C ATOM 942 CE2 TYR A 61 -1.348 0.869 -10.758 1.00 42.21 C ATOM 943 CZ TYR A 61 -1.481 1.432 -9.506 1.00 40.31 C ATOM 944 OH TYR A 61 -0.722 0.962 -8.459 1.00 62.13 O ATOM 0 H TYR A 61 -3.710 5.698 -12.299 1.00 12.52 H new ATOM 0 HA TYR A 61 -2.274 3.733 -13.970 1.00 0.31 H new ATOM 0 HB2 TYR A 61 -4.824 3.214 -12.391 1.00 43.24 H new ATOM 0 HB3 TYR A 61 -4.032 2.085 -13.473 1.00 43.24 H new ATOM 0 HD1 TYR A 61 -3.830 3.741 -10.184 1.00 33.23 H new ATOM 0 HD2 TYR A 61 -2.004 0.903 -12.785 1.00 12.11 H new ATOM 0 HE1 TYR A 61 -2.474 2.903 -8.317 1.00 10.35 H new ATOM 0 HE2 TYR A 61 -0.650 0.060 -10.918 1.00 42.21 H new ATOM 0 HH TYR A 61 -0.147 0.234 -8.773 1.00 62.13 H new ATOM 954 N LEU A 62 -3.949 3.999 -15.826 1.00 42.51 N ATOM 955 CA LEU A 62 -4.768 4.369 -16.975 1.00 14.32 C ATOM 956 C LEU A 62 -4.860 3.218 -17.971 1.00 52.25 C ATOM 957 O LEU A 62 -3.899 2.476 -18.168 1.00 33.52 O ATOM 958 CB LEU A 62 -4.190 5.608 -17.661 1.00 55.20 C ATOM 959 CG LEU A 62 -4.570 6.955 -17.045 1.00 11.21 C ATOM 960 CD1 LEU A 62 -3.894 8.094 -17.793 1.00 21.22 C ATOM 961 CD2 LEU A 62 -6.081 7.136 -17.048 1.00 30.05 C ATOM 0 H LEU A 62 -3.238 3.295 -16.024 1.00 42.51 H new ATOM 0 HA LEU A 62 -5.772 4.596 -16.616 1.00 14.32 H new ATOM 0 HB2 LEU A 62 -3.103 5.525 -17.661 1.00 55.20 H new ATOM 0 HB3 LEU A 62 -4.510 5.604 -18.703 1.00 55.20 H new ATOM 0 HG LEU A 62 -4.224 6.970 -16.011 1.00 11.21 H new ATOM 0 HD11 LEU A 62 -4.176 9.045 -17.340 1.00 21.22 H new ATOM 0 HD12 LEU A 62 -2.812 7.973 -17.739 1.00 21.22 H new ATOM 0 HD13 LEU A 62 -4.209 8.081 -18.837 1.00 21.22 H new ATOM 0 HD21 LEU A 62 -6.333 8.100 -16.606 1.00 30.05 H new ATOM 0 HD22 LEU A 62 -6.450 7.099 -18.073 1.00 30.05 H new ATOM 0 HD23 LEU A 62 -6.544 6.338 -16.467 1.00 30.05 H new ATOM 973 N GLY A 63 -6.023 3.078 -18.600 1.00 73.24 N ATOM 974 CA GLY A 63 -6.218 2.017 -19.571 1.00 34.52 C ATOM 975 C GLY A 63 -6.682 0.723 -18.930 1.00 51.34 C ATOM 976 O GLY A 63 -6.525 0.529 -17.725 1.00 20.40 O ATOM 0 H GLY A 63 -6.833 3.680 -18.455 1.00 73.24 H new ATOM 0 HA2 GLY A 63 -6.952 2.336 -20.311 1.00 34.52 H new ATOM 0 HA3 GLY A 63 -5.284 1.840 -20.104 1.00 34.52 H new ATOM 980 N ARG A 64 -7.257 -0.162 -19.738 1.00 25.42 N ATOM 981 CA ARG A 64 -7.747 -1.443 -19.242 1.00 53.50 C ATOM 982 C ARG A 64 -6.588 -2.377 -18.908 1.00 11.20 C ATOM 983 O ARG A 64 -6.772 -3.399 -18.248 1.00 41.41 O ATOM 984 CB ARG A 64 -8.662 -2.098 -20.278 1.00 53.01 C ATOM 985 CG ARG A 64 -10.110 -1.644 -20.186 1.00 30.42 C ATOM 986 CD ARG A 64 -11.016 -2.490 -21.067 1.00 70.01 C ATOM 987 NE ARG A 64 -10.874 -3.917 -20.789 1.00 2.42 N ATOM 988 CZ ARG A 64 -11.333 -4.500 -19.687 1.00 43.21 C ATOM 989 NH1 ARG A 64 -11.960 -3.782 -18.765 1.00 73.45 N ATOM 990 NH2 ARG A 64 -11.165 -5.803 -19.506 1.00 23.52 N ATOM 0 H ARG A 64 -7.395 -0.016 -20.738 1.00 25.42 H new ATOM 0 HA ARG A 64 -8.315 -1.258 -18.330 1.00 53.50 H new ATOM 0 HB2 ARG A 64 -8.284 -1.877 -21.276 1.00 53.01 H new ATOM 0 HB3 ARG A 64 -8.621 -3.180 -20.154 1.00 53.01 H new ATOM 0 HG2 ARG A 64 -10.447 -1.705 -19.151 1.00 30.42 H new ATOM 0 HG3 ARG A 64 -10.184 -0.598 -20.484 1.00 30.42 H new ATOM 0 HD2 ARG A 64 -12.053 -2.192 -20.912 1.00 70.01 H new ATOM 0 HD3 ARG A 64 -10.783 -2.300 -22.115 1.00 70.01 H new ATOM 0 HE ARG A 64 -10.396 -4.497 -21.479 1.00 2.42 H new ATOM 0 HH11 ARG A 64 -12.091 -2.780 -18.901 1.00 73.45 H new ATOM 0 HH12 ARG A 64 -12.311 -4.232 -17.920 1.00 73.45 H new ATOM 0 HH21 ARG A 64 -10.683 -6.358 -20.213 1.00 23.52 H new ATOM 0 HH22 ARG A 64 -11.518 -6.250 -18.660 1.00 23.52 H new ATOM 1004 N ASN A 65 -5.394 -2.018 -19.369 1.00 72.31 N ATOM 1005 CA ASN A 65 -4.205 -2.825 -19.120 1.00 60.13 C ATOM 1006 C ASN A 65 -3.514 -2.392 -17.831 1.00 32.44 C ATOM 1007 O ASN A 65 -2.383 -2.794 -17.555 1.00 53.43 O ATOM 1008 CB ASN A 65 -3.232 -2.713 -20.296 1.00 1.34 C ATOM 1009 CG ASN A 65 -3.878 -3.079 -21.618 1.00 23.21 C ATOM 1010 OD1 ASN A 65 -3.864 -2.295 -22.567 1.00 2.23 O ATOM 1011 ND2 ASN A 65 -4.448 -4.276 -21.686 1.00 32.41 N ATOM 0 H ASN A 65 -5.224 -1.174 -19.917 1.00 72.31 H new ATOM 0 HA ASN A 65 -4.517 -3.864 -19.013 1.00 60.13 H new ATOM 0 HB2 ASN A 65 -2.849 -1.694 -20.352 1.00 1.34 H new ATOM 0 HB3 ASN A 65 -2.377 -3.365 -20.120 1.00 1.34 H new ATOM 0 HD21 ASN A 65 -4.898 -4.578 -22.550 1.00 32.41 H new ATOM 0 HD22 ASN A 65 -4.436 -4.894 -20.874 1.00 32.41 H new ATOM 1018 N ASP A 66 -4.202 -1.573 -17.044 1.00 14.41 N ATOM 1019 CA ASP A 66 -3.657 -1.086 -15.782 1.00 25.40 C ATOM 1020 C ASP A 66 -2.351 -0.331 -16.010 1.00 11.31 C ATOM 1021 O ASP A 66 -1.367 -0.544 -15.303 1.00 11.31 O ATOM 1022 CB ASP A 66 -3.424 -2.252 -14.819 1.00 71.14 C ATOM 1023 CG ASP A 66 -4.694 -2.679 -14.110 1.00 0.12 C ATOM 1024 OD1 ASP A 66 -5.791 -2.351 -14.608 1.00 43.24 O ATOM 1025 OD2 ASP A 66 -4.591 -3.340 -13.055 1.00 71.22 O ATOM 0 H ASP A 66 -5.139 -1.232 -17.258 1.00 14.41 H new ATOM 0 HA ASP A 66 -4.381 -0.400 -15.342 1.00 25.40 H new ATOM 0 HB2 ASP A 66 -3.017 -3.099 -15.371 1.00 71.14 H new ATOM 0 HB3 ASP A 66 -2.677 -1.965 -14.079 1.00 71.14 H new ATOM 1030 N GLY A 67 -2.350 0.553 -17.003 1.00 52.13 N ATOM 1031 CA GLY A 67 -1.160 1.326 -17.308 1.00 13.04 C ATOM 1032 C GLY A 67 -0.698 2.165 -16.133 1.00 23.11 C ATOM 1033 O GLY A 67 -1.209 3.261 -15.903 1.00 41.23 O ATOM 0 H GLY A 67 -3.152 0.748 -17.602 1.00 52.13 H new ATOM 0 HA2 GLY A 67 -0.358 0.651 -17.606 1.00 13.04 H new ATOM 0 HA3 GLY A 67 -1.361 1.977 -18.159 1.00 13.04 H new ATOM 1037 N LYS A 68 0.272 1.649 -15.385 1.00 13.11 N ATOM 1038 CA LYS A 68 0.804 2.357 -14.227 1.00 31.05 C ATOM 1039 C LYS A 68 1.894 3.339 -14.643 1.00 2.13 C ATOM 1040 O LYS A 68 2.878 2.958 -15.276 1.00 65.32 O ATOM 1041 CB LYS A 68 1.362 1.362 -13.207 1.00 34.53 C ATOM 1042 CG LYS A 68 1.831 2.011 -11.917 1.00 3.34 C ATOM 1043 CD LYS A 68 2.750 1.091 -11.131 1.00 31.42 C ATOM 1044 CE LYS A 68 4.082 0.896 -11.839 1.00 31.52 C ATOM 1045 NZ LYS A 68 5.055 0.149 -10.994 1.00 73.42 N ATOM 0 H LYS A 68 0.706 0.743 -15.561 1.00 13.11 H new ATOM 0 HA LYS A 68 -0.011 2.918 -13.770 1.00 31.05 H new ATOM 0 HB2 LYS A 68 0.594 0.624 -12.974 1.00 34.53 H new ATOM 0 HB3 LYS A 68 2.196 0.823 -13.657 1.00 34.53 H new ATOM 0 HG2 LYS A 68 2.353 2.940 -12.145 1.00 3.34 H new ATOM 0 HG3 LYS A 68 0.967 2.273 -11.306 1.00 3.34 H new ATOM 0 HD2 LYS A 68 2.922 1.508 -10.139 1.00 31.42 H new ATOM 0 HD3 LYS A 68 2.266 0.124 -10.991 1.00 31.42 H new ATOM 0 HE2 LYS A 68 3.922 0.356 -12.772 1.00 31.52 H new ATOM 0 HE3 LYS A 68 4.500 1.868 -12.101 1.00 31.52 H new ATOM 0 HZ1 LYS A 68 5.950 0.037 -11.512 1.00 73.42 H new ATOM 0 HZ2 LYS A 68 5.228 0.677 -10.115 1.00 73.42 H new ATOM 0 HZ3 LYS A 68 4.668 -0.789 -10.765 1.00 73.42 H new ATOM 1059 N VAL A 69 1.713 4.605 -14.281 1.00 41.54 N ATOM 1060 CA VAL A 69 2.683 5.642 -14.615 1.00 73.12 C ATOM 1061 C VAL A 69 3.998 5.423 -13.876 1.00 31.50 C ATOM 1062 O VAL A 69 4.027 5.348 -12.648 1.00 22.45 O ATOM 1063 CB VAL A 69 2.144 7.045 -14.277 1.00 30.44 C ATOM 1064 CG1 VAL A 69 3.167 8.111 -14.636 1.00 63.02 C ATOM 1065 CG2 VAL A 69 0.826 7.296 -14.993 1.00 33.30 C ATOM 0 H VAL A 69 0.904 4.938 -13.756 1.00 41.54 H new ATOM 0 HA VAL A 69 2.858 5.577 -15.689 1.00 73.12 H new ATOM 0 HB VAL A 69 1.963 7.097 -13.203 1.00 30.44 H new ATOM 0 HG11 VAL A 69 2.768 9.095 -14.390 1.00 63.02 H new ATOM 0 HG12 VAL A 69 4.084 7.940 -14.072 1.00 63.02 H new ATOM 0 HG13 VAL A 69 3.383 8.063 -15.703 1.00 63.02 H new ATOM 0 HG21 VAL A 69 0.460 8.292 -14.743 1.00 33.30 H new ATOM 0 HG22 VAL A 69 0.978 7.225 -16.070 1.00 33.30 H new ATOM 0 HG23 VAL A 69 0.094 6.551 -14.680 1.00 33.30 H new ATOM 1075 N VAL A 70 5.086 5.321 -14.633 1.00 30.32 N ATOM 1076 CA VAL A 70 6.406 5.111 -14.050 1.00 11.52 C ATOM 1077 C VAL A 70 7.356 6.245 -14.420 1.00 30.11 C ATOM 1078 O VAL A 70 8.259 6.586 -13.657 1.00 52.21 O ATOM 1079 CB VAL A 70 7.017 3.774 -14.509 1.00 35.03 C ATOM 1080 CG1 VAL A 70 6.077 2.621 -14.190 1.00 24.33 C ATOM 1081 CG2 VAL A 70 7.336 3.817 -15.995 1.00 71.33 C ATOM 0 H VAL A 70 5.079 5.380 -15.651 1.00 30.32 H new ATOM 0 HA VAL A 70 6.274 5.089 -12.968 1.00 11.52 H new ATOM 0 HB VAL A 70 7.948 3.614 -13.966 1.00 35.03 H new ATOM 0 HG11 VAL A 70 6.525 1.684 -14.521 1.00 24.33 H new ATOM 0 HG12 VAL A 70 5.903 2.580 -13.115 1.00 24.33 H new ATOM 0 HG13 VAL A 70 5.128 2.772 -14.705 1.00 24.33 H new ATOM 0 HG21 VAL A 70 7.767 2.864 -16.302 1.00 71.33 H new ATOM 0 HG22 VAL A 70 6.421 4.000 -16.558 1.00 71.33 H new ATOM 0 HG23 VAL A 70 8.049 4.618 -16.191 1.00 71.33 H new ATOM 1091 N GLY A 71 7.145 6.826 -15.597 1.00 65.12 N ATOM 1092 CA GLY A 71 7.991 7.916 -16.048 1.00 60.44 C ATOM 1093 C GLY A 71 7.198 9.038 -16.689 1.00 22.23 C ATOM 1094 O GLY A 71 6.253 8.790 -17.438 1.00 33.45 O ATOM 0 H GLY A 71 6.404 6.562 -16.246 1.00 65.12 H new ATOM 0 HA2 GLY A 71 8.553 8.310 -15.201 1.00 60.44 H new ATOM 0 HA3 GLY A 71 8.719 7.535 -16.764 1.00 60.44 H new ATOM 1098 N ILE A 72 7.582 10.275 -16.393 1.00 23.10 N ATOM 1099 CA ILE A 72 6.900 11.439 -16.945 1.00 31.40 C ATOM 1100 C ILE A 72 7.898 12.451 -17.497 1.00 60.53 C ATOM 1101 O ILE A 72 8.677 13.042 -16.749 1.00 74.43 O ATOM 1102 CB ILE A 72 6.018 12.129 -15.887 1.00 65.42 C ATOM 1103 CG1 ILE A 72 4.934 11.170 -15.391 1.00 62.20 C ATOM 1104 CG2 ILE A 72 5.394 13.392 -16.460 1.00 41.04 C ATOM 1105 CD1 ILE A 72 4.222 11.654 -14.147 1.00 45.12 C ATOM 0 H ILE A 72 8.362 10.497 -15.774 1.00 23.10 H new ATOM 0 HA ILE A 72 6.266 11.078 -17.755 1.00 31.40 H new ATOM 0 HB ILE A 72 6.644 12.409 -15.040 1.00 65.42 H new ATOM 0 HG12 ILE A 72 4.201 11.021 -16.184 1.00 62.20 H new ATOM 0 HG13 ILE A 72 5.385 10.199 -15.187 1.00 62.20 H new ATOM 0 HG21 ILE A 72 4.774 13.868 -15.701 1.00 41.04 H new ATOM 0 HG22 ILE A 72 6.182 14.079 -16.768 1.00 41.04 H new ATOM 0 HG23 ILE A 72 4.779 13.135 -17.322 1.00 41.04 H new ATOM 0 HD11 ILE A 72 3.467 10.925 -13.853 1.00 45.12 H new ATOM 0 HD12 ILE A 72 4.943 11.776 -13.339 1.00 45.12 H new ATOM 0 HD13 ILE A 72 3.741 12.611 -14.352 1.00 45.12 H new ATOM 1117 N SER A 73 7.868 12.646 -18.812 1.00 0.33 N ATOM 1118 CA SER A 73 8.772 13.586 -19.465 1.00 74.24 C ATOM 1119 C SER A 73 8.015 14.818 -19.952 1.00 0.24 C ATOM 1120 O SER A 73 6.849 15.017 -19.613 1.00 0.14 O ATOM 1121 CB SER A 73 9.479 12.911 -20.642 1.00 24.22 C ATOM 1122 OG SER A 73 9.845 11.580 -20.321 1.00 64.11 O ATOM 0 H SER A 73 7.228 12.166 -19.445 1.00 0.33 H new ATOM 0 HA SER A 73 9.517 13.903 -18.735 1.00 74.24 H new ATOM 0 HB2 SER A 73 8.824 12.911 -21.513 1.00 24.22 H new ATOM 0 HB3 SER A 73 10.368 13.481 -20.912 1.00 24.22 H new ATOM 0 HG SER A 73 10.788 11.436 -20.547 1.00 64.11 H new ATOM 1128 N GLU A 74 8.689 15.642 -20.748 1.00 54.23 N ATOM 1129 CA GLU A 74 8.080 16.856 -21.281 1.00 24.12 C ATOM 1130 C GLU A 74 7.378 16.576 -22.607 1.00 4.25 C ATOM 1131 O GLU A 74 6.513 17.338 -23.036 1.00 31.31 O ATOM 1132 CB GLU A 74 9.140 17.943 -21.472 1.00 25.43 C ATOM 1133 CG GLU A 74 10.188 17.595 -22.516 1.00 32.50 C ATOM 1134 CD GLU A 74 11.466 18.394 -22.350 1.00 32.45 C ATOM 1135 OE1 GLU A 74 12.202 18.138 -21.374 1.00 32.55 O ATOM 1136 OE2 GLU A 74 11.730 19.274 -23.194 1.00 53.51 O ATOM 0 H GLU A 74 9.655 15.492 -21.038 1.00 54.23 H new ATOM 0 HA GLU A 74 7.337 17.205 -20.563 1.00 24.12 H new ATOM 0 HB2 GLU A 74 8.648 18.872 -21.759 1.00 25.43 H new ATOM 0 HB3 GLU A 74 9.636 18.127 -20.519 1.00 25.43 H new ATOM 0 HG2 GLU A 74 10.418 16.531 -22.453 1.00 32.50 H new ATOM 0 HG3 GLU A 74 9.778 17.774 -23.510 1.00 32.50 H new ATOM 1143 N GLY A 75 7.759 15.477 -23.251 1.00 43.20 N ATOM 1144 CA GLY A 75 7.158 15.116 -24.521 1.00 53.13 C ATOM 1145 C GLY A 75 6.918 13.625 -24.646 1.00 73.40 C ATOM 1146 O GLY A 75 6.806 13.096 -25.752 1.00 40.24 O ATOM 0 H GLY A 75 8.473 14.831 -22.916 1.00 43.20 H new ATOM 0 HA2 GLY A 75 6.211 15.644 -24.634 1.00 53.13 H new ATOM 0 HA3 GLY A 75 7.806 15.446 -25.333 1.00 53.13 H new ATOM 1150 N LYS A 76 6.840 12.942 -23.509 1.00 13.45 N ATOM 1151 CA LYS A 76 6.612 11.502 -23.494 1.00 10.35 C ATOM 1152 C LYS A 76 6.322 11.012 -22.079 1.00 24.15 C ATOM 1153 O LYS A 76 6.871 11.533 -21.107 1.00 31.11 O ATOM 1154 CB LYS A 76 7.828 10.767 -24.061 1.00 5.04 C ATOM 1155 CG LYS A 76 9.124 11.086 -23.336 1.00 5.23 C ATOM 1156 CD LYS A 76 10.318 10.432 -24.012 1.00 55.44 C ATOM 1157 CE LYS A 76 11.631 10.932 -23.431 1.00 41.52 C ATOM 1158 NZ LYS A 76 12.807 10.359 -24.143 1.00 33.21 N ATOM 0 H LYS A 76 6.931 13.363 -22.585 1.00 13.45 H new ATOM 0 HA LYS A 76 5.744 11.290 -24.118 1.00 10.35 H new ATOM 0 HB2 LYS A 76 7.649 9.693 -24.011 1.00 5.04 H new ATOM 0 HB3 LYS A 76 7.938 11.023 -25.115 1.00 5.04 H new ATOM 0 HG2 LYS A 76 9.269 12.166 -23.306 1.00 5.23 H new ATOM 0 HG3 LYS A 76 9.058 10.744 -22.303 1.00 5.23 H new ATOM 0 HD2 LYS A 76 10.256 9.350 -23.895 1.00 55.44 H new ATOM 0 HD3 LYS A 76 10.290 10.639 -25.082 1.00 55.44 H new ATOM 0 HE2 LYS A 76 11.664 12.020 -23.492 1.00 41.52 H new ATOM 0 HE3 LYS A 76 11.683 10.670 -22.374 1.00 41.52 H new ATOM 0 HZ1 LYS A 76 13.683 10.724 -23.717 1.00 33.21 H new ATOM 0 HZ2 LYS A 76 12.790 9.322 -24.063 1.00 33.21 H new ATOM 0 HZ3 LYS A 76 12.771 10.630 -25.146 1.00 33.21 H new ATOM 1172 N ILE A 77 5.459 10.007 -21.970 1.00 45.44 N ATOM 1173 CA ILE A 77 5.100 9.446 -20.674 1.00 61.22 C ATOM 1174 C ILE A 77 5.269 7.930 -20.666 1.00 1.43 C ATOM 1175 O ILE A 77 4.586 7.215 -21.399 1.00 12.13 O ATOM 1176 CB ILE A 77 3.648 9.791 -20.294 1.00 2.40 C ATOM 1177 CG1 ILE A 77 3.374 11.277 -20.537 1.00 70.12 C ATOM 1178 CG2 ILE A 77 3.381 9.429 -18.841 1.00 34.21 C ATOM 1179 CD1 ILE A 77 4.297 12.196 -19.768 1.00 63.41 C ATOM 0 H ILE A 77 4.996 9.565 -22.764 1.00 45.44 H new ATOM 0 HA ILE A 77 5.774 9.889 -19.941 1.00 61.22 H new ATOM 0 HB ILE A 77 2.975 9.209 -20.923 1.00 2.40 H new ATOM 0 HG12 ILE A 77 3.471 11.486 -21.602 1.00 70.12 H new ATOM 0 HG13 ILE A 77 2.343 11.498 -20.261 1.00 70.12 H new ATOM 0 HG21 ILE A 77 2.351 9.679 -18.587 1.00 34.21 H new ATOM 0 HG22 ILE A 77 3.542 8.361 -18.697 1.00 34.21 H new ATOM 0 HG23 ILE A 77 4.059 9.988 -18.196 1.00 34.21 H new ATOM 0 HD11 ILE A 77 4.045 13.233 -19.989 1.00 63.41 H new ATOM 0 HD12 ILE A 77 4.183 12.015 -18.699 1.00 63.41 H new ATOM 0 HD13 ILE A 77 5.329 12.003 -20.061 1.00 63.41 H new ATOM 1191 N ASP A 78 6.182 7.447 -19.831 1.00 3.34 N ATOM 1192 CA ASP A 78 6.440 6.016 -19.724 1.00 35.22 C ATOM 1193 C ASP A 78 5.532 5.377 -18.677 1.00 1.21 C ATOM 1194 O ASP A 78 5.469 5.832 -17.535 1.00 15.13 O ATOM 1195 CB ASP A 78 7.906 5.765 -19.367 1.00 74.44 C ATOM 1196 CG ASP A 78 8.839 6.041 -20.529 1.00 63.24 C ATOM 1197 OD1 ASP A 78 8.904 7.206 -20.975 1.00 22.10 O ATOM 1198 OD2 ASP A 78 9.506 5.092 -20.993 1.00 11.23 O ATOM 0 H ASP A 78 6.756 8.026 -19.218 1.00 3.34 H new ATOM 0 HA ASP A 78 6.227 5.560 -20.691 1.00 35.22 H new ATOM 0 HB2 ASP A 78 8.185 6.396 -18.523 1.00 74.44 H new ATOM 0 HB3 ASP A 78 8.027 4.731 -19.045 1.00 74.44 H new ATOM 1203 N VAL A 79 4.830 4.321 -19.075 1.00 22.34 N ATOM 1204 CA VAL A 79 3.926 3.619 -18.171 1.00 41.41 C ATOM 1205 C VAL A 79 3.986 2.112 -18.394 1.00 51.41 C ATOM 1206 O VAL A 79 4.311 1.649 -19.488 1.00 13.21 O ATOM 1207 CB VAL A 79 2.472 4.096 -18.350 1.00 5.42 C ATOM 1208 CG1 VAL A 79 2.391 5.612 -18.250 1.00 25.04 C ATOM 1209 CG2 VAL A 79 1.912 3.611 -19.678 1.00 65.03 C ATOM 0 H VAL A 79 4.870 3.933 -20.017 1.00 22.34 H new ATOM 0 HA VAL A 79 4.253 3.846 -17.156 1.00 41.41 H new ATOM 0 HB VAL A 79 1.867 3.670 -17.549 1.00 5.42 H new ATOM 0 HG11 VAL A 79 1.357 5.930 -18.379 1.00 25.04 H new ATOM 0 HG12 VAL A 79 2.750 5.932 -17.272 1.00 25.04 H new ATOM 0 HG13 VAL A 79 3.009 6.061 -19.028 1.00 25.04 H new ATOM 0 HG21 VAL A 79 0.884 3.957 -19.788 1.00 65.03 H new ATOM 0 HG22 VAL A 79 2.517 4.006 -20.494 1.00 65.03 H new ATOM 0 HG23 VAL A 79 1.933 2.522 -19.706 1.00 65.03 H new ATOM 1219 N ILE A 80 3.670 1.353 -17.351 1.00 23.41 N ATOM 1220 CA ILE A 80 3.687 -0.103 -17.434 1.00 13.45 C ATOM 1221 C ILE A 80 2.282 -0.657 -17.642 1.00 35.25 C ATOM 1222 O ILE A 80 1.410 -0.503 -16.786 1.00 64.13 O ATOM 1223 CB ILE A 80 4.292 -0.732 -16.165 1.00 2.21 C ATOM 1224 CG1 ILE A 80 5.819 -0.753 -16.259 1.00 2.13 C ATOM 1225 CG2 ILE A 80 3.749 -2.138 -15.960 1.00 61.12 C ATOM 1226 CD1 ILE A 80 6.349 -1.759 -17.256 1.00 65.00 C ATOM 0 H ILE A 80 3.399 1.721 -16.439 1.00 23.41 H new ATOM 0 HA ILE A 80 4.309 -0.364 -18.290 1.00 13.45 H new ATOM 0 HB ILE A 80 4.008 -0.125 -15.305 1.00 2.21 H new ATOM 0 HG12 ILE A 80 6.172 0.241 -16.535 1.00 2.13 H new ATOM 0 HG13 ILE A 80 6.232 -0.976 -15.275 1.00 2.13 H new ATOM 0 HG21 ILE A 80 4.186 -2.569 -15.059 1.00 61.12 H new ATOM 0 HG22 ILE A 80 2.665 -2.097 -15.854 1.00 61.12 H new ATOM 0 HG23 ILE A 80 4.006 -2.756 -16.820 1.00 61.12 H new ATOM 0 HD11 ILE A 80 7.438 -1.719 -17.270 1.00 65.00 H new ATOM 0 HD12 ILE A 80 6.027 -2.760 -16.969 1.00 65.00 H new ATOM 0 HD13 ILE A 80 5.965 -1.525 -18.249 1.00 65.00 H new ATOM 1238 N GLU A 81 2.070 -1.305 -18.783 1.00 53.31 N ATOM 1239 CA GLU A 81 0.770 -1.883 -19.102 1.00 71.45 C ATOM 1240 C GLU A 81 0.835 -3.408 -19.089 1.00 41.02 C ATOM 1241 O GLU A 81 1.895 -3.996 -19.305 1.00 23.13 O ATOM 1242 CB GLU A 81 0.291 -1.394 -20.471 1.00 64.41 C ATOM 1243 CG GLU A 81 0.154 0.116 -20.564 1.00 3.01 C ATOM 1244 CD GLU A 81 1.187 0.740 -21.482 1.00 51.23 C ATOM 1245 OE1 GLU A 81 2.386 0.427 -21.328 1.00 12.11 O ATOM 1246 OE2 GLU A 81 0.795 1.542 -22.356 1.00 43.11 O ATOM 0 H GLU A 81 2.781 -1.443 -19.501 1.00 53.31 H new ATOM 0 HA GLU A 81 0.061 -1.560 -18.340 1.00 71.45 H new ATOM 0 HB2 GLU A 81 0.991 -1.735 -21.234 1.00 64.41 H new ATOM 0 HB3 GLU A 81 -0.672 -1.852 -20.694 1.00 64.41 H new ATOM 0 HG2 GLU A 81 -0.844 0.365 -20.924 1.00 3.01 H new ATOM 0 HG3 GLU A 81 0.250 0.548 -19.568 1.00 3.01 H new ATOM 1253 N ILE A 82 -0.305 -4.041 -18.834 1.00 51.33 N ATOM 1254 CA ILE A 82 -0.378 -5.496 -18.793 1.00 40.14 C ATOM 1255 C ILE A 82 -0.961 -6.054 -20.087 1.00 51.22 C ATOM 1256 O ILE A 82 -1.998 -5.592 -20.564 1.00 1.53 O ATOM 1257 CB ILE A 82 -1.230 -5.984 -17.607 1.00 54.20 C ATOM 1258 CG1 ILE A 82 -0.811 -5.269 -16.321 1.00 45.21 C ATOM 1259 CG2 ILE A 82 -1.102 -7.491 -17.447 1.00 73.33 C ATOM 1260 CD1 ILE A 82 0.630 -5.520 -15.933 1.00 34.25 C ATOM 0 H ILE A 82 -1.191 -3.569 -18.653 1.00 51.33 H new ATOM 0 HA ILE A 82 0.642 -5.859 -18.670 1.00 40.14 H new ATOM 0 HB ILE A 82 -2.275 -5.747 -17.808 1.00 54.20 H new ATOM 0 HG12 ILE A 82 -0.964 -4.197 -16.444 1.00 45.21 H new ATOM 0 HG13 ILE A 82 -1.460 -5.592 -15.507 1.00 45.21 H new ATOM 0 HG21 ILE A 82 -1.710 -7.820 -16.605 1.00 73.33 H new ATOM 0 HG22 ILE A 82 -1.445 -7.984 -18.357 1.00 73.33 H new ATOM 0 HG23 ILE A 82 -0.059 -7.750 -17.265 1.00 73.33 H new ATOM 0 HD11 ILE A 82 0.858 -4.983 -15.012 1.00 34.25 H new ATOM 0 HD12 ILE A 82 0.784 -6.588 -15.777 1.00 34.25 H new ATOM 0 HD13 ILE A 82 1.287 -5.171 -16.729 1.00 34.25 H new ATOM 1272 N VAL A 83 -0.289 -7.052 -20.651 1.00 24.31 N ATOM 1273 CA VAL A 83 -0.741 -7.676 -21.889 1.00 32.25 C ATOM 1274 C VAL A 83 -0.576 -9.191 -21.833 1.00 1.22 C ATOM 1275 O VAL A 83 0.258 -9.723 -21.100 1.00 3.40 O ATOM 1276 CB VAL A 83 0.029 -7.131 -23.106 1.00 72.31 C ATOM 1277 CG1 VAL A 83 -0.451 -5.732 -23.459 1.00 54.21 C ATOM 1278 CG2 VAL A 83 1.526 -7.138 -22.836 1.00 12.22 C ATOM 0 H VAL A 83 0.571 -7.446 -20.270 1.00 24.31 H new ATOM 0 HA VAL A 83 -1.798 -7.432 -21.999 1.00 32.25 H new ATOM 0 HB VAL A 83 -0.166 -7.782 -23.958 1.00 72.31 H new ATOM 0 HG11 VAL A 83 0.105 -5.363 -24.321 1.00 54.21 H new ATOM 0 HG12 VAL A 83 -1.514 -5.762 -23.698 1.00 54.21 H new ATOM 0 HG13 VAL A 83 -0.288 -5.067 -22.611 1.00 54.21 H new ATOM 0 HG21 VAL A 83 2.055 -6.750 -23.707 1.00 12.22 H new ATOM 0 HG22 VAL A 83 1.743 -6.512 -21.971 1.00 12.22 H new ATOM 0 HG23 VAL A 83 1.855 -8.158 -22.637 1.00 12.22 H new ATOM 1288 N PRO A 84 -1.389 -9.904 -22.626 1.00 31.22 N ATOM 1289 CA PRO A 84 -1.352 -11.368 -22.686 1.00 24.42 C ATOM 1290 C PRO A 84 -0.083 -11.889 -23.353 1.00 51.01 C ATOM 1291 O PRO A 84 0.641 -11.136 -24.004 1.00 41.32 O ATOM 1292 CB PRO A 84 -2.581 -11.721 -23.527 1.00 12.53 C ATOM 1293 CG PRO A 84 -2.827 -10.513 -24.363 1.00 44.53 C ATOM 1294 CD PRO A 84 -2.407 -9.336 -23.525 1.00 73.44 C ATOM 0 HA PRO A 84 -1.356 -11.816 -21.692 1.00 24.42 H new ATOM 0 HB2 PRO A 84 -2.399 -12.600 -24.145 1.00 12.53 H new ATOM 0 HB3 PRO A 84 -3.441 -11.948 -22.896 1.00 12.53 H new ATOM 0 HG2 PRO A 84 -2.254 -10.556 -25.289 1.00 44.53 H new ATOM 0 HG3 PRO A 84 -3.878 -10.439 -24.641 1.00 44.53 H new ATOM 0 HD2 PRO A 84 -1.999 -8.532 -24.137 1.00 73.44 H new ATOM 0 HD3 PRO A 84 -3.246 -8.919 -22.969 1.00 73.44 H new ATOM 1302 N ASP A 85 0.180 -13.181 -23.187 1.00 54.52 N ATOM 1303 CA ASP A 85 1.361 -13.802 -23.775 1.00 75.21 C ATOM 1304 C ASP A 85 1.009 -14.510 -25.080 1.00 63.00 C ATOM 1305 O ASP A 85 1.841 -14.625 -25.979 1.00 41.11 O ATOM 1306 CB ASP A 85 1.982 -14.796 -22.793 1.00 5.02 C ATOM 1307 CG ASP A 85 3.316 -15.331 -23.277 1.00 11.12 C ATOM 1308 OD1 ASP A 85 4.155 -14.520 -23.722 1.00 11.43 O ATOM 1309 OD2 ASP A 85 3.521 -16.561 -23.210 1.00 12.32 O ATOM 0 H ASP A 85 -0.409 -13.818 -22.650 1.00 54.52 H new ATOM 0 HA ASP A 85 2.085 -13.017 -23.992 1.00 75.21 H new ATOM 0 HB2 ASP A 85 2.117 -14.311 -21.826 1.00 5.02 H new ATOM 0 HB3 ASP A 85 1.295 -15.628 -22.639 1.00 5.02 H new ATOM 1314 N GLY A 86 -0.229 -14.984 -25.176 1.00 33.24 N ATOM 1315 CA GLY A 86 -0.668 -15.676 -26.373 1.00 73.04 C ATOM 1316 C GLY A 86 -1.545 -16.873 -26.063 1.00 60.11 C ATOM 1317 O GLY A 86 -2.239 -17.385 -26.940 1.00 75.13 O ATOM 0 H GLY A 86 -0.936 -14.901 -24.446 1.00 33.24 H new ATOM 0 HA2 GLY A 86 -1.218 -14.982 -27.009 1.00 73.04 H new ATOM 0 HA3 GLY A 86 0.204 -16.005 -26.939 1.00 73.04 H new ATOM 1321 N GLU A 87 -1.511 -17.321 -24.812 1.00 15.22 N ATOM 1322 CA GLU A 87 -2.308 -18.467 -24.390 1.00 22.21 C ATOM 1323 C GLU A 87 -3.283 -18.075 -23.283 1.00 43.35 C ATOM 1324 O GLU A 87 -4.375 -18.630 -23.178 1.00 32.41 O ATOM 1325 CB GLU A 87 -1.398 -19.598 -23.905 1.00 42.15 C ATOM 1326 CG GLU A 87 -0.855 -19.384 -22.503 1.00 0.45 C ATOM 1327 CD GLU A 87 0.110 -20.474 -22.077 1.00 55.34 C ATOM 1328 OE1 GLU A 87 1.111 -20.692 -22.791 1.00 11.04 O ATOM 1329 OE2 GLU A 87 -0.138 -21.108 -21.031 1.00 23.55 O ATOM 0 H GLU A 87 -0.941 -16.908 -24.074 1.00 15.22 H new ATOM 0 HA GLU A 87 -2.882 -18.814 -25.250 1.00 22.21 H new ATOM 0 HB2 GLU A 87 -1.953 -20.536 -23.931 1.00 42.15 H new ATOM 0 HB3 GLU A 87 -0.562 -19.703 -24.597 1.00 42.15 H new ATOM 0 HG2 GLU A 87 -0.350 -18.419 -22.456 1.00 0.45 H new ATOM 0 HG3 GLU A 87 -1.686 -19.344 -21.798 1.00 0.45 H new ATOM 1336 N GLY A 88 -2.878 -17.113 -22.460 1.00 0.43 N ATOM 1337 CA GLY A 88 -3.726 -16.662 -21.372 1.00 31.24 C ATOM 1338 C GLY A 88 -2.959 -15.878 -20.325 1.00 72.31 C ATOM 1339 O GLY A 88 -3.495 -14.953 -19.717 1.00 51.34 O ATOM 0 H GLY A 88 -1.978 -16.638 -22.527 1.00 0.43 H new ATOM 0 HA2 GLY A 88 -4.526 -16.040 -21.773 1.00 31.24 H new ATOM 0 HA3 GLY A 88 -4.198 -17.525 -20.902 1.00 31.24 H new ATOM 1343 N ASN A 89 -1.701 -16.251 -20.113 1.00 51.31 N ATOM 1344 CA ASN A 89 -0.860 -15.577 -19.131 1.00 2.13 C ATOM 1345 C ASN A 89 -0.640 -14.116 -19.513 1.00 71.40 C ATOM 1346 O ASN A 89 -0.754 -13.746 -20.682 1.00 22.44 O ATOM 1347 CB ASN A 89 0.487 -16.291 -19.006 1.00 64.45 C ATOM 1348 CG ASN A 89 0.332 -17.782 -18.776 1.00 21.24 C ATOM 1349 OD1 ASN A 89 0.347 -18.553 -19.857 1.00 64.14 O flip ATOM 1350 ND2 ASN A 89 0.200 -18.235 -17.638 1.00 2.11 N flip ATOM 0 H ASN A 89 -1.242 -17.016 -20.608 1.00 51.31 H new ATOM 0 HA ASN A 89 -1.372 -15.609 -18.169 1.00 2.13 H new ATOM 0 HB2 ASN A 89 1.069 -16.125 -19.913 1.00 64.45 H new ATOM 0 HB3 ASN A 89 1.051 -15.856 -18.181 1.00 64.45 H new ATOM 0 HD21 ASN A 89 0.194 -17.605 -16.836 1.00 2.11 H new ATOM 0 HD22 ASN A 89 0.097 -19.240 -17.498 1.00 2.11 H new ATOM 1357 N TRP A 90 -0.325 -13.292 -18.521 1.00 23.13 N ATOM 1358 CA TRP A 90 -0.088 -11.872 -18.753 1.00 52.31 C ATOM 1359 C TRP A 90 1.362 -11.506 -18.459 1.00 24.11 C ATOM 1360 O TRP A 90 2.095 -12.280 -17.841 1.00 62.04 O ATOM 1361 CB TRP A 90 -1.025 -11.029 -17.886 1.00 74.23 C ATOM 1362 CG TRP A 90 -2.475 -11.352 -18.091 1.00 24.52 C ATOM 1363 CD1 TRP A 90 -3.194 -12.326 -17.458 1.00 54.34 C ATOM 1364 CD2 TRP A 90 -3.379 -10.702 -18.990 1.00 61.55 C ATOM 1365 NE1 TRP A 90 -4.492 -12.320 -17.911 1.00 2.22 N ATOM 1366 CE2 TRP A 90 -4.631 -11.333 -18.850 1.00 41.24 C ATOM 1367 CE3 TRP A 90 -3.254 -9.648 -19.899 1.00 63.21 C ATOM 1368 CZ2 TRP A 90 -5.747 -10.943 -19.586 1.00 43.13 C ATOM 1369 CZ3 TRP A 90 -4.362 -9.263 -20.629 1.00 0.31 C ATOM 1370 CH2 TRP A 90 -5.595 -9.908 -20.469 1.00 34.03 C ATOM 0 H TRP A 90 -0.228 -13.582 -17.548 1.00 23.13 H new ATOM 0 HA TRP A 90 -0.290 -11.663 -19.804 1.00 52.31 H new ATOM 0 HB2 TRP A 90 -0.771 -11.180 -16.837 1.00 74.23 H new ATOM 0 HB3 TRP A 90 -0.861 -9.974 -18.105 1.00 74.23 H new ATOM 0 HD1 TRP A 90 -2.801 -13.001 -16.712 1.00 54.34 H new ATOM 0 HE1 TRP A 90 -5.232 -12.949 -17.598 1.00 2.22 H new ATOM 0 HE3 TRP A 90 -2.308 -9.143 -20.029 1.00 63.21 H new ATOM 0 HZ2 TRP A 90 -6.698 -11.439 -19.465 1.00 43.13 H new ATOM 0 HZ3 TRP A 90 -4.276 -8.451 -21.335 1.00 0.31 H new ATOM 0 HH2 TRP A 90 -6.443 -9.582 -21.054 1.00 34.03 H new ATOM 1381 N LEU A 91 1.772 -10.323 -18.904 1.00 34.14 N ATOM 1382 CA LEU A 91 3.136 -9.855 -18.687 1.00 41.42 C ATOM 1383 C LEU A 91 3.200 -8.331 -18.716 1.00 52.15 C ATOM 1384 O LEU A 91 2.285 -7.672 -19.208 1.00 55.22 O ATOM 1385 CB LEU A 91 4.070 -10.436 -19.750 1.00 4.02 C ATOM 1386 CG LEU A 91 5.444 -10.893 -19.258 1.00 62.10 C ATOM 1387 CD1 LEU A 91 5.299 -11.973 -18.198 1.00 23.45 C ATOM 1388 CD2 LEU A 91 6.287 -11.395 -20.421 1.00 43.33 C ATOM 0 H LEU A 91 1.179 -9.671 -19.417 1.00 34.14 H new ATOM 0 HA LEU A 91 3.459 -10.195 -17.703 1.00 41.42 H new ATOM 0 HB2 LEU A 91 3.572 -11.286 -20.217 1.00 4.02 H new ATOM 0 HB3 LEU A 91 4.215 -9.685 -20.527 1.00 4.02 H new ATOM 0 HG LEU A 91 5.951 -10.038 -18.810 1.00 62.10 H new ATOM 0 HD11 LEU A 91 6.287 -12.286 -17.860 1.00 23.45 H new ATOM 0 HD12 LEU A 91 4.734 -11.580 -17.353 1.00 23.45 H new ATOM 0 HD13 LEU A 91 4.772 -12.829 -18.620 1.00 23.45 H new ATOM 0 HD21 LEU A 91 7.261 -11.716 -20.052 1.00 43.33 H new ATOM 0 HD22 LEU A 91 5.784 -12.236 -20.898 1.00 43.33 H new ATOM 0 HD23 LEU A 91 6.420 -10.593 -21.147 1.00 43.33 H new ATOM 1400 N GLU A 92 4.288 -7.779 -18.188 1.00 53.12 N ATOM 1401 CA GLU A 92 4.471 -6.333 -18.156 1.00 14.44 C ATOM 1402 C GLU A 92 4.884 -5.805 -19.527 1.00 33.33 C ATOM 1403 O GLU A 92 5.557 -6.496 -20.292 1.00 1.21 O ATOM 1404 CB GLU A 92 5.524 -5.953 -17.112 1.00 54.35 C ATOM 1405 CG GLU A 92 6.901 -6.524 -17.402 1.00 63.33 C ATOM 1406 CD GLU A 92 7.759 -6.640 -16.157 1.00 73.10 C ATOM 1407 OE1 GLU A 92 7.258 -7.159 -15.137 1.00 41.25 O ATOM 1408 OE2 GLU A 92 8.931 -6.212 -16.203 1.00 0.13 O ATOM 0 H GLU A 92 5.055 -8.311 -17.777 1.00 53.12 H new ATOM 0 HA GLU A 92 3.519 -5.878 -17.884 1.00 14.44 H new ATOM 0 HB2 GLU A 92 5.594 -4.867 -17.058 1.00 54.35 H new ATOM 0 HB3 GLU A 92 5.195 -6.300 -16.133 1.00 54.35 H new ATOM 0 HG2 GLU A 92 6.793 -7.508 -17.857 1.00 63.33 H new ATOM 0 HG3 GLU A 92 7.407 -5.890 -18.130 1.00 63.33 H new ATOM 1415 N ARG A 93 4.475 -4.578 -19.830 1.00 13.31 N ATOM 1416 CA ARG A 93 4.800 -3.958 -21.109 1.00 22.02 C ATOM 1417 C ARG A 93 4.968 -2.449 -20.955 1.00 22.33 C ATOM 1418 O ARG A 93 4.014 -1.679 -21.064 1.00 71.22 O ATOM 1419 CB ARG A 93 3.708 -4.258 -22.138 1.00 4.14 C ATOM 1420 CG ARG A 93 4.208 -4.260 -23.573 1.00 41.40 C ATOM 1421 CD ARG A 93 5.013 -5.512 -23.881 1.00 61.42 C ATOM 1422 NE ARG A 93 4.867 -5.928 -25.274 1.00 30.14 N ATOM 1423 CZ ARG A 93 5.359 -5.244 -26.300 1.00 52.44 C ATOM 1424 NH1 ARG A 93 6.025 -4.117 -26.092 1.00 3.42 N ATOM 1425 NH2 ARG A 93 5.185 -5.687 -27.539 1.00 14.40 N ATOM 0 H ARG A 93 3.918 -3.993 -19.207 1.00 13.31 H new ATOM 0 HA ARG A 93 5.744 -4.378 -21.458 1.00 22.02 H new ATOM 0 HB2 ARG A 93 3.267 -5.229 -21.914 1.00 4.14 H new ATOM 0 HB3 ARG A 93 2.914 -3.517 -22.040 1.00 4.14 H new ATOM 0 HG2 ARG A 93 3.360 -4.195 -24.255 1.00 41.40 H new ATOM 0 HG3 ARG A 93 4.825 -3.378 -23.746 1.00 41.40 H new ATOM 0 HD2 ARG A 93 6.066 -5.328 -23.666 1.00 61.42 H new ATOM 0 HD3 ARG A 93 4.690 -6.321 -23.225 1.00 61.42 H new ATOM 0 HE ARG A 93 4.359 -6.791 -25.469 1.00 30.14 H new ATOM 0 HH11 ARG A 93 6.161 -3.773 -25.141 1.00 3.42 H new ATOM 0 HH12 ARG A 93 6.402 -3.594 -26.882 1.00 3.42 H new ATOM 0 HH21 ARG A 93 4.673 -6.554 -27.704 1.00 14.40 H new ATOM 0 HH22 ARG A 93 5.563 -5.161 -28.327 1.00 14.40 H new ATOM 1439 N PRO A 94 6.210 -2.016 -20.694 1.00 4.51 N ATOM 1440 CA PRO A 94 6.533 -0.596 -20.519 1.00 71.21 C ATOM 1441 C PRO A 94 6.428 0.187 -21.823 1.00 72.02 C ATOM 1442 O PRO A 94 7.344 0.168 -22.645 1.00 43.10 O ATOM 1443 CB PRO A 94 7.981 -0.620 -20.025 1.00 4.13 C ATOM 1444 CG PRO A 94 8.538 -1.900 -20.545 1.00 45.33 C ATOM 1445 CD PRO A 94 7.396 -2.877 -20.550 1.00 72.21 C ATOM 0 HA PRO A 94 5.843 -0.102 -19.835 1.00 71.21 H new ATOM 0 HB2 PRO A 94 8.541 0.237 -20.400 1.00 4.13 H new ATOM 0 HB3 PRO A 94 8.029 -0.581 -18.937 1.00 4.13 H new ATOM 0 HG2 PRO A 94 8.944 -1.770 -21.548 1.00 45.33 H new ATOM 0 HG3 PRO A 94 9.353 -2.256 -19.915 1.00 45.33 H new ATOM 0 HD2 PRO A 94 7.479 -3.587 -21.372 1.00 72.21 H new ATOM 0 HD3 PRO A 94 7.361 -3.459 -19.629 1.00 72.21 H new ATOM 1453 N ARG A 95 5.306 0.875 -22.006 1.00 74.01 N ATOM 1454 CA ARG A 95 5.081 1.664 -23.211 1.00 41.32 C ATOM 1455 C ARG A 95 5.172 3.157 -22.908 1.00 65.02 C ATOM 1456 O ARG A 95 4.719 3.617 -21.860 1.00 72.24 O ATOM 1457 CB ARG A 95 3.713 1.338 -23.813 1.00 20.12 C ATOM 1458 CG ARG A 95 3.482 -0.149 -24.029 1.00 14.32 C ATOM 1459 CD ARG A 95 2.091 -0.422 -24.579 1.00 53.25 C ATOM 1460 NE ARG A 95 1.847 0.293 -25.830 1.00 31.05 N ATOM 1461 CZ ARG A 95 0.792 0.075 -26.607 1.00 11.42 C ATOM 1462 NH1 ARG A 95 -0.112 -0.832 -26.264 1.00 15.40 N ATOM 1463 NH2 ARG A 95 0.640 0.766 -27.729 1.00 54.34 N ATOM 0 H ARG A 95 4.538 0.902 -21.335 1.00 74.01 H new ATOM 0 HA ARG A 95 5.858 1.408 -23.932 1.00 41.32 H new ATOM 0 HB2 ARG A 95 2.934 1.727 -23.156 1.00 20.12 H new ATOM 0 HB3 ARG A 95 3.613 1.855 -24.767 1.00 20.12 H new ATOM 0 HG2 ARG A 95 4.230 -0.538 -24.719 1.00 14.32 H new ATOM 0 HG3 ARG A 95 3.612 -0.679 -23.086 1.00 14.32 H new ATOM 0 HD2 ARG A 95 1.970 -1.493 -24.744 1.00 53.25 H new ATOM 0 HD3 ARG A 95 1.345 -0.127 -23.841 1.00 53.25 H new ATOM 0 HE ARG A 95 2.524 0.998 -26.122 1.00 31.05 H new ATOM 0 HH11 ARG A 95 0.002 -1.365 -25.401 1.00 15.40 H new ATOM 0 HH12 ARG A 95 -0.921 -0.997 -26.863 1.00 15.40 H new ATOM 0 HH21 ARG A 95 1.333 1.465 -27.995 1.00 54.34 H new ATOM 0 HH22 ARG A 95 -0.170 0.598 -28.325 1.00 54.34 H new ATOM 1477 N SER A 96 5.763 3.908 -23.833 1.00 14.15 N ATOM 1478 CA SER A 96 5.918 5.348 -23.663 1.00 14.14 C ATOM 1479 C SER A 96 5.028 6.109 -24.641 1.00 12.44 C ATOM 1480 O SER A 96 5.126 5.931 -25.855 1.00 52.15 O ATOM 1481 CB SER A 96 7.379 5.752 -23.864 1.00 42.45 C ATOM 1482 OG SER A 96 8.164 4.644 -24.270 1.00 55.12 O ATOM 0 H SER A 96 6.142 3.543 -24.707 1.00 14.15 H new ATOM 0 HA SER A 96 5.615 5.604 -22.648 1.00 14.14 H new ATOM 0 HB2 SER A 96 7.442 6.540 -24.614 1.00 42.45 H new ATOM 0 HB3 SER A 96 7.777 6.163 -22.936 1.00 42.45 H new ATOM 0 HG SER A 96 9.093 4.929 -24.393 1.00 55.12 H new ATOM 1488 N LEU A 97 4.160 6.959 -24.102 1.00 74.34 N ATOM 1489 CA LEU A 97 3.251 7.749 -24.926 1.00 60.42 C ATOM 1490 C LEU A 97 3.849 9.117 -25.237 1.00 54.14 C ATOM 1491 O LEU A 97 3.879 10.003 -24.382 1.00 61.14 O ATOM 1492 CB LEU A 97 1.905 7.916 -24.219 1.00 1.11 C ATOM 1493 CG LEU A 97 1.346 6.668 -23.536 1.00 30.35 C ATOM 1494 CD1 LEU A 97 1.715 6.656 -22.060 1.00 51.32 C ATOM 1495 CD2 LEU A 97 -0.164 6.595 -23.710 1.00 40.12 C ATOM 0 H LEU A 97 4.067 7.119 -23.099 1.00 74.34 H new ATOM 0 HA LEU A 97 3.097 7.218 -25.866 1.00 60.42 H new ATOM 0 HB2 LEU A 97 2.006 8.701 -23.470 1.00 1.11 H new ATOM 0 HB3 LEU A 97 1.174 8.264 -24.949 1.00 1.11 H new ATOM 0 HG LEU A 97 1.789 5.791 -24.008 1.00 30.35 H new ATOM 0 HD11 LEU A 97 1.308 5.760 -21.591 1.00 51.32 H new ATOM 0 HD12 LEU A 97 2.800 6.659 -21.956 1.00 51.32 H new ATOM 0 HD13 LEU A 97 1.301 7.540 -21.574 1.00 51.32 H new ATOM 0 HD21 LEU A 97 -0.544 5.700 -23.217 1.00 40.12 H new ATOM 0 HD22 LEU A 97 -0.625 7.477 -23.266 1.00 40.12 H new ATOM 0 HD23 LEU A 97 -0.406 6.555 -24.772 1.00 40.12 H new ATOM 1507 N THR A 98 4.322 9.284 -26.469 1.00 12.55 N ATOM 1508 CA THR A 98 4.917 10.545 -26.894 1.00 25.14 C ATOM 1509 C THR A 98 3.847 11.544 -27.318 1.00 32.51 C ATOM 1510 O THR A 98 2.730 11.160 -27.670 1.00 44.33 O ATOM 1511 CB THR A 98 5.900 10.336 -28.061 1.00 43.21 C ATOM 1512 OG1 THR A 98 5.236 9.687 -29.151 1.00 12.31 O ATOM 1513 CG2 THR A 98 7.095 9.504 -27.621 1.00 32.43 C ATOM 0 H THR A 98 4.304 8.562 -27.189 1.00 12.55 H new ATOM 0 HA THR A 98 5.460 10.943 -26.037 1.00 25.14 H new ATOM 0 HB THR A 98 6.258 11.314 -28.384 1.00 43.21 H new ATOM 0 HG1 THR A 98 5.868 9.559 -29.889 1.00 12.31 H new ATOM 0 HG21 THR A 98 7.775 9.370 -28.462 1.00 32.43 H new ATOM 0 HG22 THR A 98 7.616 10.015 -26.811 1.00 32.43 H new ATOM 0 HG23 THR A 98 6.752 8.530 -27.273 1.00 32.43 H new ATOM 1521 N LEU A 99 4.193 12.825 -27.283 1.00 1.52 N ATOM 1522 CA LEU A 99 3.261 13.881 -27.665 1.00 31.41 C ATOM 1523 C LEU A 99 2.604 13.567 -29.005 1.00 55.22 C ATOM 1524 O LEU A 99 3.262 13.114 -29.941 1.00 61.34 O ATOM 1525 CB LEU A 99 3.986 15.225 -27.742 1.00 13.55 C ATOM 1526 CG LEU A 99 3.268 16.412 -27.097 1.00 43.22 C ATOM 1527 CD1 LEU A 99 3.903 16.757 -25.759 1.00 1.10 C ATOM 1528 CD2 LEU A 99 3.290 17.617 -28.026 1.00 43.14 C ATOM 0 H LEU A 99 5.112 13.159 -26.994 1.00 1.52 H new ATOM 0 HA LEU A 99 2.483 13.939 -26.904 1.00 31.41 H new ATOM 0 HB2 LEU A 99 4.962 15.116 -27.270 1.00 13.55 H new ATOM 0 HB3 LEU A 99 4.164 15.460 -28.791 1.00 13.55 H new ATOM 0 HG LEU A 99 2.229 16.132 -26.922 1.00 43.22 H new ATOM 0 HD11 LEU A 99 3.379 17.604 -25.315 1.00 1.10 H new ATOM 0 HD12 LEU A 99 3.835 15.898 -25.092 1.00 1.10 H new ATOM 0 HD13 LEU A 99 4.951 17.017 -25.910 1.00 1.10 H new ATOM 0 HD21 LEU A 99 2.775 18.452 -27.551 1.00 43.14 H new ATOM 0 HD22 LEU A 99 4.323 17.898 -28.233 1.00 43.14 H new ATOM 0 HD23 LEU A 99 2.788 17.365 -28.960 1.00 43.14 H new