USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 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 Set 1.1: A 33 MET CE :methyl 152:sc= -8.64! (180deg=-9.09!) USER MOD Set 1.2: A 36 THR OG1 : rot 65:sc= -0.692 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 30 THR OG1 : rot -24:sc= -0.0934 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.9!) USER MOD Single : A 41 GLN : amide:sc= -0.0197 K(o=-0.02,f=-1.6) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00704) USER MOD Single : A 54 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-6.7!) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.0855 USER MOD Single : A 65 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.9!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.402 F(o=-2.1,f=-0.4) 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 -11.430 4.423 -16.127 1.00 73.31 N ATOM 360 CA PHE A 22 -12.031 4.991 -17.329 1.00 23.45 C ATOM 361 C PHE A 22 -11.038 4.986 -18.487 1.00 44.01 C ATOM 362 O PHE A 22 -11.391 4.662 -19.622 1.00 32.13 O ATOM 363 CB PHE A 22 -12.510 6.418 -17.059 1.00 11.43 C ATOM 364 CG PHE A 22 -12.943 7.150 -18.297 1.00 63.43 C ATOM 365 CD1 PHE A 22 -13.908 6.612 -19.134 1.00 3.24 C ATOM 366 CD2 PHE A 22 -12.384 8.374 -18.625 1.00 42.34 C ATOM 367 CE1 PHE A 22 -14.308 7.283 -20.274 1.00 74.30 C ATOM 368 CE2 PHE A 22 -12.781 9.050 -19.764 1.00 63.51 C ATOM 369 CZ PHE A 22 -13.743 8.503 -20.590 1.00 72.51 C ATOM 0 HA PHE A 22 -12.886 4.374 -17.604 1.00 23.45 H new ATOM 0 HB2 PHE A 22 -13.342 6.386 -16.356 1.00 11.43 H new ATOM 0 HB3 PHE A 22 -11.707 6.977 -16.578 1.00 11.43 H new ATOM 0 HD1 PHE A 22 -14.352 5.658 -18.893 1.00 3.24 H new ATOM 0 HD2 PHE A 22 -11.629 8.805 -17.984 1.00 42.34 H new ATOM 0 HE1 PHE A 22 -15.062 6.854 -20.917 1.00 74.30 H new ATOM 0 HE2 PHE A 22 -12.339 10.005 -20.007 1.00 63.51 H new ATOM 0 HZ PHE A 22 -14.053 9.028 -21.481 1.00 72.51 H new ATOM 379 N LEU A 23 -9.794 5.348 -18.193 1.00 42.24 N ATOM 380 CA LEU A 23 -8.748 5.387 -19.210 1.00 20.22 C ATOM 381 C LEU A 23 -8.130 4.006 -19.408 1.00 51.41 C ATOM 382 O LEU A 23 -7.408 3.773 -20.377 1.00 34.11 O ATOM 383 CB LEU A 23 -7.664 6.392 -18.816 1.00 62.33 C ATOM 384 CG LEU A 23 -8.136 7.824 -18.564 1.00 41.01 C ATOM 385 CD1 LEU A 23 -9.182 8.230 -19.591 1.00 3.00 C ATOM 386 CD2 LEU A 23 -8.689 7.963 -17.153 1.00 71.33 C ATOM 0 H LEU A 23 -9.485 5.619 -17.259 1.00 42.24 H new ATOM 0 HA LEU A 23 -9.201 5.701 -20.151 1.00 20.22 H new ATOM 0 HB2 LEU A 23 -7.171 6.029 -17.914 1.00 62.33 H new ATOM 0 HB3 LEU A 23 -6.912 6.412 -19.604 1.00 62.33 H new ATOM 0 HG LEU A 23 -7.280 8.491 -18.664 1.00 41.01 H new ATOM 0 HD11 LEU A 23 -9.506 9.252 -19.396 1.00 3.00 H new ATOM 0 HD12 LEU A 23 -8.752 8.170 -20.591 1.00 3.00 H new ATOM 0 HD13 LEU A 23 -10.038 7.559 -19.523 1.00 3.00 H new ATOM 0 HD21 LEU A 23 -9.020 8.989 -16.991 1.00 71.33 H new ATOM 0 HD22 LEU A 23 -9.533 7.285 -17.024 1.00 71.33 H new ATOM 0 HD23 LEU A 23 -7.911 7.715 -16.431 1.00 71.33 H new ATOM 398 N GLU A 24 -8.421 3.095 -18.485 1.00 2.43 N ATOM 399 CA GLU A 24 -7.894 1.738 -18.560 1.00 32.42 C ATOM 400 C GLU A 24 -8.766 0.865 -19.458 1.00 71.11 C ATOM 401 O GLU A 24 -8.536 -0.337 -19.587 1.00 12.23 O ATOM 402 CB GLU A 24 -7.807 1.122 -17.162 1.00 13.45 C ATOM 403 CG GLU A 24 -6.465 1.340 -16.483 1.00 53.21 C ATOM 404 CD GLU A 24 -6.354 0.605 -15.161 1.00 43.34 C ATOM 405 OE1 GLU A 24 -7.274 -0.173 -14.835 1.00 62.22 O ATOM 406 OE2 GLU A 24 -5.345 0.809 -14.453 1.00 52.04 O ATOM 0 H GLU A 24 -9.018 3.272 -17.677 1.00 2.43 H new ATOM 0 HA GLU A 24 -6.894 1.788 -18.990 1.00 32.42 H new ATOM 0 HB2 GLU A 24 -8.594 1.546 -16.538 1.00 13.45 H new ATOM 0 HB3 GLU A 24 -7.999 0.051 -17.233 1.00 13.45 H new ATOM 0 HG2 GLU A 24 -5.668 1.007 -17.147 1.00 53.21 H new ATOM 0 HG3 GLU A 24 -6.316 2.407 -16.315 1.00 53.21 H new ATOM 413 N GLY A 25 -9.769 1.480 -20.078 1.00 32.24 N ATOM 414 CA GLY A 25 -10.661 0.745 -20.955 1.00 71.32 C ATOM 415 C GLY A 25 -10.368 0.994 -22.421 1.00 43.42 C ATOM 416 O GLY A 25 -10.981 0.384 -23.297 1.00 42.13 O ATOM 0 H GLY A 25 -9.979 2.474 -19.988 1.00 32.24 H new ATOM 0 HA2 GLY A 25 -10.574 -0.321 -20.746 1.00 71.32 H new ATOM 0 HA3 GLY A 25 -11.691 1.028 -20.740 1.00 71.32 H new ATOM 420 N PHE A 26 -9.428 1.895 -22.690 1.00 54.20 N ATOM 421 CA PHE A 26 -9.057 2.226 -24.061 1.00 3.54 C ATOM 422 C PHE A 26 -7.608 1.837 -24.341 1.00 31.14 C ATOM 423 O PHE A 26 -6.856 1.503 -23.426 1.00 13.21 O ATOM 424 CB PHE A 26 -9.253 3.722 -24.318 1.00 32.04 C ATOM 425 CG PHE A 26 -10.596 4.234 -23.882 1.00 33.35 C ATOM 426 CD1 PHE A 26 -11.736 3.938 -24.612 1.00 62.43 C ATOM 427 CD2 PHE A 26 -10.720 5.010 -22.741 1.00 4.23 C ATOM 428 CE1 PHE A 26 -12.973 4.408 -24.214 1.00 23.05 C ATOM 429 CE2 PHE A 26 -11.954 5.483 -22.337 1.00 10.02 C ATOM 430 CZ PHE A 26 -13.082 5.181 -23.074 1.00 31.52 C ATOM 0 H PHE A 26 -8.910 2.408 -21.977 1.00 54.20 H new ATOM 0 HA PHE A 26 -9.704 1.661 -24.732 1.00 3.54 H new ATOM 0 HB2 PHE A 26 -8.474 4.277 -23.795 1.00 32.04 H new ATOM 0 HB3 PHE A 26 -9.126 3.919 -25.382 1.00 32.04 H new ATOM 0 HD1 PHE A 26 -11.657 3.333 -25.503 1.00 62.43 H new ATOM 0 HD2 PHE A 26 -9.841 5.248 -22.160 1.00 4.23 H new ATOM 0 HE1 PHE A 26 -13.853 4.171 -24.793 1.00 23.05 H new ATOM 0 HE2 PHE A 26 -12.036 6.088 -21.446 1.00 10.02 H new ATOM 0 HZ PHE A 26 -14.048 5.548 -22.760 1.00 31.52 H new ATOM 440 N ASN A 27 -7.225 1.882 -25.612 1.00 62.24 N ATOM 441 CA ASN A 27 -5.867 1.533 -26.014 1.00 70.42 C ATOM 442 C ASN A 27 -4.865 2.559 -25.494 1.00 61.22 C ATOM 443 O ASN A 27 -5.229 3.691 -25.177 1.00 14.44 O ATOM 444 CB ASN A 27 -5.772 1.438 -27.538 1.00 74.33 C ATOM 445 CG ASN A 27 -5.943 0.017 -28.041 1.00 13.21 C ATOM 446 OD1 ASN A 27 -6.784 -0.732 -27.543 1.00 60.15 O ATOM 447 ND2 ASN A 27 -5.144 -0.360 -29.032 1.00 50.21 N ATOM 0 H ASN A 27 -7.835 2.157 -26.382 1.00 62.24 H new ATOM 0 HA ASN A 27 -5.625 0.563 -25.580 1.00 70.42 H new ATOM 0 HB2 ASN A 27 -6.535 2.074 -27.987 1.00 74.33 H new ATOM 0 HB3 ASN A 27 -4.805 1.822 -27.864 1.00 74.33 H new ATOM 0 HD21 ASN A 27 -5.213 -1.304 -29.411 1.00 50.21 H new ATOM 0 HD22 ASN A 27 -4.461 0.295 -29.414 1.00 50.21 H new ATOM 454 N ILE A 28 -3.602 2.155 -25.411 1.00 20.55 N ATOM 455 CA ILE A 28 -2.547 3.039 -24.931 1.00 14.20 C ATOM 456 C ILE A 28 -2.034 3.939 -26.050 1.00 25.12 C ATOM 457 O ILE A 28 -1.522 5.029 -25.797 1.00 22.11 O ATOM 458 CB ILE A 28 -1.367 2.242 -24.345 1.00 41.04 C ATOM 459 CG1 ILE A 28 -0.333 3.192 -23.737 1.00 54.21 C ATOM 460 CG2 ILE A 28 -0.729 1.374 -25.420 1.00 1.22 C ATOM 461 CD1 ILE A 28 -0.862 3.990 -22.566 1.00 1.50 C ATOM 0 H ILE A 28 -3.284 1.221 -25.670 1.00 20.55 H new ATOM 0 HA ILE A 28 -2.984 3.654 -24.144 1.00 14.20 H new ATOM 0 HB ILE A 28 -1.743 1.592 -23.555 1.00 41.04 H new ATOM 0 HG12 ILE A 28 0.532 2.614 -23.412 1.00 54.21 H new ATOM 0 HG13 ILE A 28 0.014 3.880 -24.508 1.00 54.21 H new ATOM 0 HG21 ILE A 28 0.104 0.817 -24.991 1.00 1.22 H new ATOM 0 HG22 ILE A 28 -1.469 0.676 -25.811 1.00 1.22 H new ATOM 0 HG23 ILE A 28 -0.364 2.007 -26.229 1.00 1.22 H new ATOM 0 HD11 ILE A 28 -0.076 4.642 -22.185 1.00 1.50 H new ATOM 0 HD12 ILE A 28 -1.709 4.594 -22.891 1.00 1.50 H new ATOM 0 HD13 ILE A 28 -1.183 3.310 -21.777 1.00 1.50 H new ATOM 473 N GLU A 29 -2.175 3.475 -27.287 1.00 74.35 N ATOM 474 CA GLU A 29 -1.726 4.239 -28.445 1.00 70.23 C ATOM 475 C GLU A 29 -2.754 5.299 -28.830 1.00 0.02 C ATOM 476 O GLU A 29 -2.405 6.361 -29.348 1.00 30.44 O ATOM 477 CB GLU A 29 -1.471 3.307 -29.631 1.00 65.45 C ATOM 478 CG GLU A 29 -2.739 2.723 -30.231 1.00 62.11 C ATOM 479 CD GLU A 29 -2.474 1.924 -31.493 1.00 2.34 C ATOM 480 OE1 GLU A 29 -2.158 2.542 -32.531 1.00 20.41 O ATOM 481 OE2 GLU A 29 -2.582 0.681 -31.441 1.00 12.14 O ATOM 0 H GLU A 29 -2.596 2.574 -27.513 1.00 74.35 H new ATOM 0 HA GLU A 29 -0.795 4.740 -28.178 1.00 70.23 H new ATOM 0 HB2 GLU A 29 -0.933 3.856 -30.404 1.00 65.45 H new ATOM 0 HB3 GLU A 29 -0.823 2.492 -29.309 1.00 65.45 H new ATOM 0 HG2 GLU A 29 -3.223 2.082 -29.494 1.00 62.11 H new ATOM 0 HG3 GLU A 29 -3.435 3.531 -30.457 1.00 62.11 H new ATOM 488 N THR A 30 -4.025 5.004 -28.573 1.00 64.43 N ATOM 489 CA THR A 30 -5.104 5.929 -28.893 1.00 71.03 C ATOM 490 C THR A 30 -4.903 7.270 -28.197 1.00 13.01 C ATOM 491 O THR A 30 -5.405 8.298 -28.652 1.00 1.33 O ATOM 492 CB THR A 30 -6.475 5.354 -28.490 1.00 0.01 C ATOM 493 OG1 THR A 30 -6.436 4.902 -27.132 1.00 32.12 O ATOM 494 CG2 THR A 30 -6.868 4.202 -29.402 1.00 73.02 C ATOM 0 H THR A 30 -4.332 4.131 -28.144 1.00 64.43 H new ATOM 0 HA THR A 30 -5.084 6.077 -29.973 1.00 71.03 H new ATOM 0 HB THR A 30 -7.219 6.144 -28.589 1.00 0.01 H new ATOM 0 HG1 THR A 30 -5.510 4.700 -26.881 1.00 32.12 H new ATOM 0 HG21 THR A 30 -7.839 3.812 -29.098 1.00 73.02 H new ATOM 0 HG22 THR A 30 -6.925 4.556 -30.431 1.00 73.02 H new ATOM 0 HG23 THR A 30 -6.121 3.411 -29.331 1.00 73.02 H new ATOM 502 N PHE A 31 -4.166 7.253 -27.091 1.00 72.23 N ATOM 503 CA PHE A 31 -3.899 8.469 -26.331 1.00 72.55 C ATOM 504 C PHE A 31 -2.822 9.309 -27.011 1.00 23.23 C ATOM 505 O PHE A 31 -1.946 8.779 -27.693 1.00 63.31 O ATOM 506 CB PHE A 31 -3.467 8.120 -24.906 1.00 23.41 C ATOM 507 CG PHE A 31 -4.424 7.206 -24.195 1.00 54.35 C ATOM 508 CD1 PHE A 31 -5.789 7.309 -24.411 1.00 13.45 C ATOM 509 CD2 PHE A 31 -3.960 6.244 -23.313 1.00 43.42 C ATOM 510 CE1 PHE A 31 -6.673 6.471 -23.757 1.00 64.34 C ATOM 511 CE2 PHE A 31 -4.838 5.403 -22.657 1.00 73.55 C ATOM 512 CZ PHE A 31 -6.197 5.515 -22.881 1.00 5.32 C ATOM 0 H PHE A 31 -3.743 6.411 -26.701 1.00 72.23 H new ATOM 0 HA PHE A 31 -4.819 9.053 -26.291 1.00 72.55 H new ATOM 0 HB2 PHE A 31 -2.484 7.650 -24.938 1.00 23.41 H new ATOM 0 HB3 PHE A 31 -3.362 9.040 -24.331 1.00 23.41 H new ATOM 0 HD1 PHE A 31 -6.166 8.052 -25.098 1.00 13.45 H new ATOM 0 HD2 PHE A 31 -2.899 6.150 -23.136 1.00 43.42 H new ATOM 0 HE1 PHE A 31 -7.735 6.564 -23.931 1.00 64.34 H new ATOM 0 HE2 PHE A 31 -4.463 4.659 -21.970 1.00 73.55 H new ATOM 0 HZ PHE A 31 -6.885 4.856 -22.372 1.00 5.32 H new ATOM 522 N GLU A 32 -2.895 10.622 -26.818 1.00 42.11 N ATOM 523 CA GLU A 32 -1.927 11.536 -27.413 1.00 63.23 C ATOM 524 C GLU A 32 -1.382 12.507 -26.370 1.00 15.22 C ATOM 525 O GLU A 32 -2.144 13.179 -25.675 1.00 34.43 O ATOM 526 CB GLU A 32 -2.567 12.313 -28.565 1.00 10.40 C ATOM 527 CG GLU A 32 -3.816 13.079 -28.162 1.00 51.21 C ATOM 528 CD GLU A 32 -4.640 13.521 -29.356 1.00 31.10 C ATOM 529 OE1 GLU A 32 -4.725 12.750 -30.335 1.00 43.33 O ATOM 530 OE2 GLU A 32 -5.200 14.636 -29.311 1.00 43.24 O ATOM 0 H GLU A 32 -3.614 11.076 -26.255 1.00 42.11 H new ATOM 0 HA GLU A 32 -1.098 10.944 -27.800 1.00 63.23 H new ATOM 0 HB2 GLU A 32 -1.836 13.013 -28.970 1.00 10.40 H new ATOM 0 HB3 GLU A 32 -2.820 11.617 -29.365 1.00 10.40 H new ATOM 0 HG2 GLU A 32 -4.429 12.452 -27.514 1.00 51.21 H new ATOM 0 HG3 GLU A 32 -3.529 13.954 -27.579 1.00 51.21 H new ATOM 537 N MET A 33 -0.059 12.575 -26.266 1.00 52.03 N ATOM 538 CA MET A 33 0.587 13.464 -25.308 1.00 44.34 C ATOM 539 C MET A 33 0.057 14.888 -25.445 1.00 5.21 C ATOM 540 O MET A 33 -0.022 15.429 -26.548 1.00 64.42 O ATOM 541 CB MET A 33 2.104 13.451 -25.510 1.00 72.54 C ATOM 542 CG MET A 33 2.888 13.755 -24.245 1.00 3.45 C ATOM 543 SD MET A 33 3.344 15.495 -24.112 1.00 32.13 S ATOM 544 CE MET A 33 4.739 15.395 -22.993 1.00 13.14 C ATOM 0 H MET A 33 0.586 12.025 -26.833 1.00 52.03 H new ATOM 0 HA MET A 33 0.358 13.104 -24.305 1.00 44.34 H new ATOM 0 HB2 MET A 33 2.404 12.473 -25.887 1.00 72.54 H new ATOM 0 HB3 MET A 33 2.367 14.182 -26.275 1.00 72.54 H new ATOM 0 HG2 MET A 33 2.293 13.472 -23.377 1.00 3.45 H new ATOM 0 HG3 MET A 33 3.791 13.144 -24.226 1.00 3.45 H new ATOM 0 HE1 MET A 33 5.418 16.226 -23.183 1.00 13.14 H new ATOM 0 HE2 MET A 33 4.384 15.444 -21.964 1.00 13.14 H new ATOM 0 HE3 MET A 33 5.265 14.454 -23.151 1.00 13.14 H new ATOM 554 N VAL A 34 -0.305 15.491 -24.317 1.00 22.12 N ATOM 555 CA VAL A 34 -0.826 16.852 -24.311 1.00 15.32 C ATOM 556 C VAL A 34 0.091 17.789 -23.534 1.00 5.23 C ATOM 557 O VAL A 34 0.085 19.001 -23.748 1.00 33.32 O ATOM 558 CB VAL A 34 -2.238 16.910 -23.698 1.00 33.31 C ATOM 559 CG1 VAL A 34 -2.209 16.455 -22.247 1.00 14.24 C ATOM 560 CG2 VAL A 34 -2.813 18.314 -23.814 1.00 65.41 C ATOM 0 H VAL A 34 -0.247 15.058 -23.395 1.00 22.12 H new ATOM 0 HA VAL A 34 -0.875 17.176 -25.351 1.00 15.32 H new ATOM 0 HB VAL A 34 -2.884 16.231 -24.254 1.00 33.31 H new ATOM 0 HG11 VAL A 34 -3.215 16.503 -21.831 1.00 14.24 H new ATOM 0 HG12 VAL A 34 -1.843 15.430 -22.194 1.00 14.24 H new ATOM 0 HG13 VAL A 34 -1.548 17.106 -21.675 1.00 14.24 H new ATOM 0 HG21 VAL A 34 -3.811 18.336 -23.376 1.00 65.41 H new ATOM 0 HG22 VAL A 34 -2.169 19.016 -23.285 1.00 65.41 H new ATOM 0 HG23 VAL A 34 -2.872 18.597 -24.865 1.00 65.41 H new ATOM 570 N GLY A 35 0.882 17.219 -22.630 1.00 23.14 N ATOM 571 CA GLY A 35 1.796 18.018 -21.834 1.00 30.31 C ATOM 572 C GLY A 35 2.465 17.213 -20.737 1.00 43.14 C ATOM 573 O GLY A 35 2.280 15.999 -20.645 1.00 54.21 O ATOM 0 H GLY A 35 0.906 16.218 -22.435 1.00 23.14 H new ATOM 0 HA2 GLY A 35 2.560 18.446 -22.483 1.00 30.31 H new ATOM 0 HA3 GLY A 35 1.252 18.851 -21.389 1.00 30.31 H new ATOM 577 N THR A 36 3.249 17.890 -19.903 1.00 71.32 N ATOM 578 CA THR A 36 3.951 17.230 -18.809 1.00 53.04 C ATOM 579 C THR A 36 4.246 18.207 -17.677 1.00 41.02 C ATOM 580 O THR A 36 4.694 19.330 -17.913 1.00 63.22 O ATOM 581 CB THR A 36 5.273 16.602 -19.288 1.00 61.23 C ATOM 582 OG1 THR A 36 5.719 17.251 -20.484 1.00 71.24 O ATOM 583 CG2 THR A 36 5.102 15.113 -19.547 1.00 23.52 C ATOM 0 H THR A 36 3.414 18.895 -19.965 1.00 71.32 H new ATOM 0 HA THR A 36 3.295 16.441 -18.442 1.00 53.04 H new ATOM 0 HB THR A 36 6.018 16.735 -18.504 1.00 61.23 H new ATOM 0 HG1 THR A 36 5.936 18.186 -20.287 1.00 71.24 H new ATOM 0 HG21 THR A 36 6.049 14.691 -19.884 1.00 23.52 H new ATOM 0 HG22 THR A 36 4.791 14.617 -18.628 1.00 23.52 H new ATOM 0 HG23 THR A 36 4.343 14.962 -20.315 1.00 23.52 H new ATOM 591 N LEU A 37 3.993 17.774 -16.447 1.00 64.42 N ATOM 592 CA LEU A 37 4.233 18.611 -15.277 1.00 23.54 C ATOM 593 C LEU A 37 5.585 18.290 -14.646 1.00 15.03 C ATOM 594 O LEU A 37 6.070 17.162 -14.734 1.00 1.32 O ATOM 595 CB LEU A 37 3.118 18.415 -14.248 1.00 61.21 C ATOM 596 CG LEU A 37 2.534 19.691 -13.641 1.00 33.43 C ATOM 597 CD1 LEU A 37 3.558 20.376 -12.750 1.00 23.53 C ATOM 598 CD2 LEU A 37 2.061 20.635 -14.736 1.00 70.14 C ATOM 0 H LEU A 37 3.622 16.848 -16.234 1.00 64.42 H new ATOM 0 HA LEU A 37 4.242 19.652 -15.601 1.00 23.54 H new ATOM 0 HB2 LEU A 37 2.309 17.858 -14.720 1.00 61.21 H new ATOM 0 HB3 LEU A 37 3.503 17.794 -13.439 1.00 61.21 H new ATOM 0 HG LEU A 37 1.675 19.418 -13.028 1.00 33.43 H new ATOM 0 HD11 LEU A 37 3.124 21.282 -12.327 1.00 23.53 H new ATOM 0 HD12 LEU A 37 3.848 19.702 -11.944 1.00 23.53 H new ATOM 0 HD13 LEU A 37 4.437 20.636 -13.339 1.00 23.53 H new ATOM 0 HD21 LEU A 37 1.648 21.538 -14.285 1.00 70.14 H new ATOM 0 HD22 LEU A 37 2.903 20.901 -15.376 1.00 70.14 H new ATOM 0 HD23 LEU A 37 1.293 20.144 -15.333 1.00 70.14 H new ATOM 610 N SER A 38 6.186 19.289 -14.008 1.00 12.04 N ATOM 611 CA SER A 38 7.482 19.114 -13.363 1.00 10.11 C ATOM 612 C SER A 38 7.732 20.216 -12.338 1.00 42.42 C ATOM 613 O SER A 38 7.936 21.376 -12.695 1.00 65.22 O ATOM 614 CB SER A 38 8.599 19.111 -14.408 1.00 60.22 C ATOM 615 OG SER A 38 9.811 18.626 -13.858 1.00 4.04 O ATOM 0 H SER A 38 5.796 20.228 -13.924 1.00 12.04 H new ATOM 0 HA SER A 38 7.476 18.155 -12.845 1.00 10.11 H new ATOM 0 HB2 SER A 38 8.307 18.491 -15.255 1.00 60.22 H new ATOM 0 HB3 SER A 38 8.748 20.121 -14.789 1.00 60.22 H new ATOM 0 HG SER A 38 10.508 18.633 -14.546 1.00 4.04 H new ATOM 621 N ASN A 39 7.714 19.845 -11.062 1.00 63.33 N ATOM 622 CA ASN A 39 7.938 20.801 -9.984 1.00 44.23 C ATOM 623 C ASN A 39 8.515 20.108 -8.754 1.00 2.35 C ATOM 624 O ASN A 39 8.906 18.943 -8.811 1.00 33.32 O ATOM 625 CB ASN A 39 6.631 21.507 -9.620 1.00 75.33 C ATOM 626 CG ASN A 39 5.676 20.601 -8.866 1.00 53.33 C ATOM 627 OD1 ASN A 39 5.264 20.909 -7.748 1.00 31.13 O ATOM 628 ND2 ASN A 39 5.319 19.478 -9.478 1.00 23.45 N ATOM 0 H ASN A 39 7.547 18.889 -10.749 1.00 63.33 H new ATOM 0 HA ASN A 39 8.658 21.542 -10.333 1.00 44.23 H new ATOM 0 HB2 ASN A 39 6.852 22.384 -9.012 1.00 75.33 H new ATOM 0 HB3 ASN A 39 6.148 21.863 -10.530 1.00 75.33 H new ATOM 0 HD21 ASN A 39 4.678 18.830 -9.021 1.00 23.45 H new ATOM 0 HD22 ASN A 39 5.686 19.264 -10.405 1.00 23.45 H new ATOM 635 N ALA A 40 8.565 20.834 -7.641 1.00 52.34 N ATOM 636 CA ALA A 40 9.091 20.289 -6.396 1.00 50.22 C ATOM 637 C ALA A 40 8.389 18.986 -6.027 1.00 43.53 C ATOM 638 O ALA A 40 9.006 18.073 -5.479 1.00 52.22 O ATOM 639 CB ALA A 40 8.947 21.305 -5.273 1.00 14.03 C ATOM 0 H ALA A 40 8.247 21.801 -7.577 1.00 52.34 H new ATOM 0 HA ALA A 40 10.149 20.072 -6.541 1.00 50.22 H new ATOM 0 HB1 ALA A 40 9.344 20.885 -4.349 1.00 14.03 H new ATOM 0 HB2 ALA A 40 9.500 22.209 -5.527 1.00 14.03 H new ATOM 0 HB3 ALA A 40 7.894 21.550 -5.137 1.00 14.03 H new ATOM 645 N GLN A 41 7.098 18.909 -6.331 1.00 73.20 N ATOM 646 CA GLN A 41 6.313 17.718 -6.029 1.00 71.54 C ATOM 647 C GLN A 41 6.829 16.513 -6.810 1.00 41.53 C ATOM 648 O GLN A 41 6.697 15.372 -6.370 1.00 55.32 O ATOM 649 CB GLN A 41 4.838 17.957 -6.355 1.00 14.10 C ATOM 650 CG GLN A 41 3.995 18.307 -5.139 1.00 21.52 C ATOM 651 CD GLN A 41 3.702 17.102 -4.266 1.00 71.14 C ATOM 652 OE1 GLN A 41 4.327 16.051 -4.409 1.00 24.22 O ATOM 653 NE2 GLN A 41 2.746 17.248 -3.356 1.00 43.41 N ATOM 0 H GLN A 41 6.574 19.656 -6.786 1.00 73.20 H new ATOM 0 HA GLN A 41 6.413 17.508 -4.964 1.00 71.54 H new ATOM 0 HB2 GLN A 41 4.762 18.764 -7.084 1.00 14.10 H new ATOM 0 HB3 GLN A 41 4.429 17.063 -6.825 1.00 14.10 H new ATOM 0 HG2 GLN A 41 4.513 19.062 -4.548 1.00 21.52 H new ATOM 0 HG3 GLN A 41 3.055 18.750 -5.468 1.00 21.52 H new ATOM 0 HE21 GLN A 41 2.253 18.137 -3.272 1.00 43.41 H new ATOM 0 HE22 GLN A 41 2.504 16.471 -2.741 1.00 43.41 H new ATOM 662 N GLY A 42 7.418 16.776 -7.973 1.00 3.40 N ATOM 663 CA GLY A 42 7.945 15.704 -8.797 1.00 10.11 C ATOM 664 C GLY A 42 7.615 15.886 -10.265 1.00 65.12 C ATOM 665 O GLY A 42 7.156 16.951 -10.680 1.00 22.32 O ATOM 0 H GLY A 42 7.539 17.712 -8.359 1.00 3.40 H new ATOM 0 HA2 GLY A 42 9.027 15.654 -8.674 1.00 10.11 H new ATOM 0 HA3 GLY A 42 7.541 14.752 -8.452 1.00 10.11 H new ATOM 669 N THR A 43 7.852 14.844 -11.057 1.00 14.03 N ATOM 670 CA THR A 43 7.580 14.894 -12.488 1.00 12.14 C ATOM 671 C THR A 43 6.304 14.134 -12.832 1.00 11.32 C ATOM 672 O THR A 43 6.158 12.960 -12.492 1.00 71.10 O ATOM 673 CB THR A 43 8.748 14.308 -13.302 1.00 44.02 C ATOM 674 OG1 THR A 43 9.982 14.506 -12.602 1.00 34.11 O ATOM 675 CG2 THR A 43 8.830 14.957 -14.676 1.00 34.22 C ATOM 0 H THR A 43 8.232 13.955 -10.731 1.00 14.03 H new ATOM 0 HA THR A 43 7.455 15.945 -12.750 1.00 12.14 H new ATOM 0 HB THR A 43 8.571 13.240 -13.431 1.00 44.02 H new ATOM 0 HG1 THR A 43 10.719 14.129 -13.126 1.00 34.11 H new ATOM 0 HG21 THR A 43 9.663 14.527 -15.232 1.00 34.22 H new ATOM 0 HG22 THR A 43 7.901 14.780 -15.218 1.00 34.22 H new ATOM 0 HG23 THR A 43 8.985 16.030 -14.563 1.00 34.22 H new ATOM 683 N PHE A 44 5.382 14.811 -13.509 1.00 1.14 N ATOM 684 CA PHE A 44 4.117 14.199 -13.899 1.00 3.21 C ATOM 685 C PHE A 44 3.930 14.256 -15.412 1.00 54.22 C ATOM 686 O PHE A 44 4.523 15.094 -16.091 1.00 14.13 O ATOM 687 CB PHE A 44 2.950 14.902 -13.202 1.00 61.41 C ATOM 688 CG PHE A 44 3.116 15.007 -11.713 1.00 65.21 C ATOM 689 CD1 PHE A 44 3.888 16.015 -11.158 1.00 54.44 C ATOM 690 CD2 PHE A 44 2.502 14.097 -10.868 1.00 61.41 C ATOM 691 CE1 PHE A 44 4.042 16.115 -9.788 1.00 45.45 C ATOM 692 CE2 PHE A 44 2.653 14.192 -9.498 1.00 20.34 C ATOM 693 CZ PHE A 44 3.425 15.202 -8.957 1.00 61.52 C ATOM 0 H PHE A 44 5.487 15.783 -13.799 1.00 1.14 H new ATOM 0 HA PHE A 44 4.137 13.153 -13.592 1.00 3.21 H new ATOM 0 HB2 PHE A 44 2.838 15.903 -13.619 1.00 61.41 H new ATOM 0 HB3 PHE A 44 2.029 14.362 -13.420 1.00 61.41 H new ATOM 0 HD1 PHE A 44 4.375 16.731 -11.803 1.00 54.44 H new ATOM 0 HD2 PHE A 44 1.898 13.304 -11.285 1.00 61.41 H new ATOM 0 HE1 PHE A 44 4.645 16.907 -9.368 1.00 45.45 H new ATOM 0 HE2 PHE A 44 2.168 13.477 -8.850 1.00 20.34 H new ATOM 0 HZ PHE A 44 3.545 15.277 -7.886 1.00 61.52 H new ATOM 703 N ALA A 45 3.101 13.358 -15.934 1.00 34.22 N ATOM 704 CA ALA A 45 2.833 13.306 -17.366 1.00 21.03 C ATOM 705 C ALA A 45 1.372 13.627 -17.663 1.00 63.02 C ATOM 706 O ALA A 45 0.473 13.206 -16.935 1.00 74.41 O ATOM 707 CB ALA A 45 3.199 11.938 -17.922 1.00 33.33 C ATOM 0 H ALA A 45 2.603 12.656 -15.386 1.00 34.22 H new ATOM 0 HA ALA A 45 3.450 14.061 -17.854 1.00 21.03 H new ATOM 0 HB1 ALA A 45 2.994 11.913 -18.992 1.00 33.33 H new ATOM 0 HB2 ALA A 45 4.259 11.747 -17.751 1.00 33.33 H new ATOM 0 HB3 ALA A 45 2.607 11.172 -17.421 1.00 33.33 H new ATOM 713 N LEU A 46 1.143 14.376 -18.736 1.00 72.54 N ATOM 714 CA LEU A 46 -0.210 14.754 -19.130 1.00 60.11 C ATOM 715 C LEU A 46 -0.527 14.257 -20.537 1.00 22.31 C ATOM 716 O LEU A 46 0.103 14.672 -21.510 1.00 32.20 O ATOM 717 CB LEU A 46 -0.375 16.273 -19.065 1.00 12.24 C ATOM 718 CG LEU A 46 0.340 16.977 -17.911 1.00 33.04 C ATOM 719 CD1 LEU A 46 -0.006 18.458 -17.892 1.00 73.20 C ATOM 720 CD2 LEU A 46 -0.022 16.326 -16.583 1.00 45.33 C ATOM 0 H LEU A 46 1.876 14.733 -19.349 1.00 72.54 H new ATOM 0 HA LEU A 46 -0.908 14.288 -18.434 1.00 60.11 H new ATOM 0 HB2 LEU A 46 -0.015 16.698 -20.002 1.00 12.24 H new ATOM 0 HB3 LEU A 46 -1.439 16.500 -19.000 1.00 12.24 H new ATOM 0 HG LEU A 46 1.415 16.878 -18.061 1.00 33.04 H new ATOM 0 HD11 LEU A 46 0.512 18.942 -17.064 1.00 73.20 H new ATOM 0 HD12 LEU A 46 0.304 18.916 -18.831 1.00 73.20 H new ATOM 0 HD13 LEU A 46 -1.082 18.579 -17.767 1.00 73.20 H new ATOM 0 HD21 LEU A 46 0.496 16.840 -15.773 1.00 45.33 H new ATOM 0 HD22 LEU A 46 -1.099 16.394 -16.426 1.00 45.33 H new ATOM 0 HD23 LEU A 46 0.277 15.278 -16.598 1.00 45.33 H new ATOM 732 N VAL A 47 -1.509 13.366 -20.637 1.00 43.22 N ATOM 733 CA VAL A 47 -1.912 12.815 -21.925 1.00 61.32 C ATOM 734 C VAL A 47 -3.390 13.072 -22.194 1.00 73.35 C ATOM 735 O VAL A 47 -4.173 13.288 -21.269 1.00 51.32 O ATOM 736 CB VAL A 47 -1.644 11.299 -21.995 1.00 54.55 C ATOM 737 CG1 VAL A 47 -2.628 10.542 -21.117 1.00 14.10 C ATOM 738 CG2 VAL A 47 -1.717 10.812 -23.435 1.00 14.23 C ATOM 0 H VAL A 47 -2.040 13.011 -19.842 1.00 43.22 H new ATOM 0 HA VAL A 47 -1.315 13.318 -22.686 1.00 61.32 H new ATOM 0 HB VAL A 47 -0.638 11.107 -21.621 1.00 54.55 H new ATOM 0 HG11 VAL A 47 -2.423 9.473 -21.179 1.00 14.10 H new ATOM 0 HG12 VAL A 47 -2.522 10.872 -20.084 1.00 14.10 H new ATOM 0 HG13 VAL A 47 -3.645 10.737 -21.458 1.00 14.10 H new ATOM 0 HG21 VAL A 47 -1.525 9.739 -23.467 1.00 14.23 H new ATOM 0 HG22 VAL A 47 -2.709 11.015 -23.838 1.00 14.23 H new ATOM 0 HG23 VAL A 47 -0.969 11.332 -24.033 1.00 14.23 H new ATOM 748 N LYS A 48 -3.767 13.046 -23.468 1.00 72.13 N ATOM 749 CA LYS A 48 -5.153 13.274 -23.862 1.00 5.23 C ATOM 750 C LYS A 48 -5.747 12.027 -24.508 1.00 40.24 C ATOM 751 O LYS A 48 -5.065 11.309 -25.238 1.00 25.13 O ATOM 752 CB LYS A 48 -5.241 14.456 -24.830 1.00 72.44 C ATOM 753 CG LYS A 48 -6.647 15.007 -24.990 1.00 13.44 C ATOM 754 CD LYS A 48 -7.362 14.379 -26.174 1.00 51.00 C ATOM 755 CE LYS A 48 -8.873 14.447 -26.013 1.00 71.12 C ATOM 756 NZ LYS A 48 -9.364 15.852 -25.977 1.00 55.22 N ATOM 0 H LYS A 48 -3.132 12.869 -24.246 1.00 72.13 H new ATOM 0 HA LYS A 48 -5.727 13.504 -22.965 1.00 5.23 H new ATOM 0 HB2 LYS A 48 -4.585 15.253 -24.478 1.00 72.44 H new ATOM 0 HB3 LYS A 48 -4.869 14.144 -25.806 1.00 72.44 H new ATOM 0 HG2 LYS A 48 -7.217 14.821 -24.080 1.00 13.44 H new ATOM 0 HG3 LYS A 48 -6.602 16.088 -25.123 1.00 13.44 H new ATOM 0 HD2 LYS A 48 -7.069 14.891 -27.091 1.00 51.00 H new ATOM 0 HD3 LYS A 48 -7.053 13.339 -26.277 1.00 51.00 H new ATOM 0 HE2 LYS A 48 -9.350 13.917 -26.837 1.00 71.12 H new ATOM 0 HE3 LYS A 48 -9.164 13.937 -25.095 1.00 71.12 H new ATOM 0 HZ1 LYS A 48 -10.402 15.855 -25.917 1.00 55.22 H new ATOM 0 HZ2 LYS A 48 -8.968 16.337 -25.147 1.00 55.22 H new ATOM 0 HZ3 LYS A 48 -9.065 16.346 -26.842 1.00 55.22 H new ATOM 770 N GLY A 49 -7.024 11.777 -24.237 1.00 34.30 N ATOM 771 CA GLY A 49 -7.689 10.617 -24.802 1.00 31.24 C ATOM 772 C GLY A 49 -9.092 10.432 -24.259 1.00 74.42 C ATOM 773 O GLY A 49 -9.494 11.108 -23.313 1.00 4.21 O ATOM 0 H GLY A 49 -7.610 12.357 -23.636 1.00 34.30 H new ATOM 0 HA2 GLY A 49 -7.733 10.719 -25.886 1.00 31.24 H new ATOM 0 HA3 GLY A 49 -7.100 9.725 -24.590 1.00 31.24 H new ATOM 777 N ALA A 50 -9.841 9.513 -24.861 1.00 54.52 N ATOM 778 CA ALA A 50 -11.208 9.241 -24.433 1.00 3.34 C ATOM 779 C ALA A 50 -12.013 10.531 -24.315 1.00 32.32 C ATOM 780 O ALA A 50 -12.949 10.619 -23.521 1.00 3.42 O ATOM 781 CB ALA A 50 -11.206 8.495 -23.107 1.00 32.32 C ATOM 0 H ALA A 50 -9.524 8.945 -25.646 1.00 54.52 H new ATOM 0 HA ALA A 50 -11.682 8.616 -25.189 1.00 3.34 H new ATOM 0 HB1 ALA A 50 -12.233 8.298 -22.799 1.00 32.32 H new ATOM 0 HB2 ALA A 50 -10.674 7.550 -23.222 1.00 32.32 H new ATOM 0 HB3 ALA A 50 -10.710 9.101 -22.349 1.00 32.32 H new ATOM 787 N GLY A 51 -11.643 11.530 -25.111 1.00 22.45 N ATOM 788 CA GLY A 51 -12.341 12.801 -25.079 1.00 11.31 C ATOM 789 C GLY A 51 -12.097 13.565 -23.792 1.00 71.13 C ATOM 790 O GLY A 51 -13.002 14.208 -23.263 1.00 33.24 O ATOM 0 H GLY A 51 -10.872 11.481 -25.777 1.00 22.45 H new ATOM 0 HA2 GLY A 51 -12.021 13.409 -25.925 1.00 11.31 H new ATOM 0 HA3 GLY A 51 -13.411 12.628 -25.198 1.00 11.31 H new ATOM 794 N GLY A 52 -10.869 13.493 -23.287 1.00 33.02 N ATOM 795 CA GLY A 52 -10.532 14.186 -22.057 1.00 64.03 C ATOM 796 C GLY A 52 -9.044 14.161 -21.768 1.00 20.15 C ATOM 797 O GLY A 52 -8.274 13.527 -22.489 1.00 70.20 O ATOM 0 H GLY A 52 -10.102 12.968 -23.707 1.00 33.02 H new ATOM 0 HA2 GLY A 52 -10.869 15.220 -22.122 1.00 64.03 H new ATOM 0 HA3 GLY A 52 -11.068 13.727 -21.226 1.00 64.03 H new ATOM 801 N VAL A 53 -8.637 14.854 -20.709 1.00 10.31 N ATOM 802 CA VAL A 53 -7.231 14.910 -20.326 1.00 34.25 C ATOM 803 C VAL A 53 -6.965 14.058 -19.090 1.00 22.51 C ATOM 804 O VAL A 53 -7.788 13.994 -18.177 1.00 35.14 O ATOM 805 CB VAL A 53 -6.783 16.356 -20.045 1.00 1.24 C ATOM 806 CG1 VAL A 53 -6.603 17.122 -21.346 1.00 53.24 C ATOM 807 CG2 VAL A 53 -7.783 17.057 -19.138 1.00 12.13 C ATOM 0 H VAL A 53 -9.261 15.384 -20.101 1.00 10.31 H new ATOM 0 HA VAL A 53 -6.658 14.517 -21.166 1.00 34.25 H new ATOM 0 HB VAL A 53 -5.821 16.327 -19.533 1.00 1.24 H new ATOM 0 HG11 VAL A 53 -6.286 18.142 -21.127 1.00 53.24 H new ATOM 0 HG12 VAL A 53 -5.846 16.630 -21.956 1.00 53.24 H new ATOM 0 HG13 VAL A 53 -7.548 17.144 -21.889 1.00 53.24 H new ATOM 0 HG21 VAL A 53 -7.450 18.078 -18.950 1.00 12.13 H new ATOM 0 HG22 VAL A 53 -8.760 17.077 -19.620 1.00 12.13 H new ATOM 0 HG23 VAL A 53 -7.856 16.519 -18.193 1.00 12.13 H new ATOM 817 N HIS A 54 -5.808 13.403 -19.067 1.00 42.43 N ATOM 818 CA HIS A 54 -5.431 12.555 -17.942 1.00 72.13 C ATOM 819 C HIS A 54 -4.028 12.896 -17.451 1.00 25.42 C ATOM 820 O HIS A 54 -3.181 13.345 -18.223 1.00 50.04 O ATOM 821 CB HIS A 54 -5.500 11.081 -18.342 1.00 72.25 C ATOM 822 CG HIS A 54 -6.368 10.824 -19.536 1.00 11.22 C ATOM 823 ND1 HIS A 54 -5.927 10.152 -20.656 1.00 54.45 N ATOM 824 CD2 HIS A 54 -7.659 11.152 -19.779 1.00 3.12 C ATOM 825 CE1 HIS A 54 -6.909 10.080 -21.538 1.00 22.32 C ATOM 826 NE2 HIS A 54 -7.971 10.678 -21.029 1.00 43.44 N ATOM 0 H HIS A 54 -5.116 13.444 -19.815 1.00 42.43 H new ATOM 0 HA HIS A 54 -6.135 12.737 -17.130 1.00 72.13 H new ATOM 0 HB2 HIS A 54 -4.492 10.722 -18.552 1.00 72.25 H new ATOM 0 HB3 HIS A 54 -5.875 10.501 -17.499 1.00 72.25 H new ATOM 0 HD2 HIS A 54 -8.320 11.687 -19.113 1.00 3.12 H new ATOM 0 HE1 HIS A 54 -6.853 9.612 -22.510 1.00 22.32 H new ATOM 0 HE2 HIS A 54 -8.876 10.772 -21.490 1.00 43.44 H new ATOM 834 N ARG A 55 -3.789 12.679 -16.161 1.00 45.34 N ATOM 835 CA ARG A 55 -2.488 12.965 -15.567 1.00 15.41 C ATOM 836 C ARG A 55 -2.012 11.795 -14.711 1.00 75.03 C ATOM 837 O ARG A 55 -2.749 11.293 -13.862 1.00 1.42 O ATOM 838 CB ARG A 55 -2.561 14.236 -14.718 1.00 23.34 C ATOM 839 CG ARG A 55 -3.470 14.108 -13.506 1.00 61.44 C ATOM 840 CD ARG A 55 -3.707 15.455 -12.843 1.00 1.23 C ATOM 841 NE ARG A 55 -5.003 15.515 -12.173 1.00 54.22 N ATOM 842 CZ ARG A 55 -6.151 15.721 -12.810 1.00 63.34 C ATOM 843 NH1 ARG A 55 -6.162 15.885 -14.126 1.00 71.40 N ATOM 844 NH2 ARG A 55 -7.290 15.762 -12.131 1.00 40.04 N ATOM 0 H ARG A 55 -4.478 12.307 -15.508 1.00 45.34 H new ATOM 0 HA ARG A 55 -1.772 13.116 -16.375 1.00 15.41 H new ATOM 0 HB2 ARG A 55 -1.557 14.497 -14.383 1.00 23.34 H new ATOM 0 HB3 ARG A 55 -2.913 15.059 -15.340 1.00 23.34 H new ATOM 0 HG2 ARG A 55 -4.424 13.678 -13.809 1.00 61.44 H new ATOM 0 HG3 ARG A 55 -3.025 13.421 -12.787 1.00 61.44 H new ATOM 0 HD2 ARG A 55 -2.915 15.647 -12.119 1.00 1.23 H new ATOM 0 HD3 ARG A 55 -3.650 16.243 -13.594 1.00 1.23 H new ATOM 0 HE ARG A 55 -5.029 15.392 -11.161 1.00 54.22 H new ATOM 0 HH11 ARG A 55 -5.288 15.853 -14.651 1.00 71.40 H new ATOM 0 HH12 ARG A 55 -7.044 16.043 -14.613 1.00 71.40 H new ATOM 0 HH21 ARG A 55 -7.285 15.635 -11.119 1.00 40.04 H new ATOM 0 HH22 ARG A 55 -8.170 15.920 -12.621 1.00 40.04 H new ATOM 858 N VAL A 56 -0.776 11.364 -14.942 1.00 12.21 N ATOM 859 CA VAL A 56 -0.201 10.254 -14.192 1.00 74.44 C ATOM 860 C VAL A 56 1.281 10.482 -13.922 1.00 3.45 C ATOM 861 O VAL A 56 1.946 11.229 -14.640 1.00 61.22 O ATOM 862 CB VAL A 56 -0.375 8.920 -14.944 1.00 10.15 C ATOM 863 CG1 VAL A 56 -1.817 8.444 -14.860 1.00 72.02 C ATOM 864 CG2 VAL A 56 0.065 9.064 -16.393 1.00 13.24 C ATOM 0 H VAL A 56 -0.154 11.767 -15.643 1.00 12.21 H new ATOM 0 HA VAL A 56 -0.736 10.202 -13.244 1.00 74.44 H new ATOM 0 HB VAL A 56 0.258 8.170 -14.470 1.00 10.15 H new ATOM 0 HG11 VAL A 56 -1.921 7.501 -15.397 1.00 72.02 H new ATOM 0 HG12 VAL A 56 -2.092 8.299 -13.815 1.00 72.02 H new ATOM 0 HG13 VAL A 56 -2.473 9.190 -15.308 1.00 72.02 H new ATOM 0 HG21 VAL A 56 -0.065 8.113 -16.909 1.00 13.24 H new ATOM 0 HG22 VAL A 56 -0.539 9.828 -16.883 1.00 13.24 H new ATOM 0 HG23 VAL A 56 1.115 9.355 -16.427 1.00 13.24 H new ATOM 874 N ARG A 57 1.794 9.835 -12.880 1.00 72.33 N ATOM 875 CA ARG A 57 3.199 9.968 -12.514 1.00 35.14 C ATOM 876 C ARG A 57 3.899 8.613 -12.542 1.00 72.51 C ATOM 877 O ARG A 57 3.276 7.586 -12.815 1.00 24.14 O ATOM 878 CB ARG A 57 3.328 10.592 -11.123 1.00 34.43 C ATOM 879 CG ARG A 57 2.776 9.716 -10.009 1.00 44.12 C ATOM 880 CD ARG A 57 3.101 10.289 -8.638 1.00 74.52 C ATOM 881 NE ARG A 57 2.254 9.720 -7.593 1.00 74.43 N ATOM 882 CZ ARG A 57 2.127 10.248 -6.381 1.00 25.31 C ATOM 883 NH1 ARG A 57 2.790 11.351 -6.063 1.00 14.42 N ATOM 884 NH2 ARG A 57 1.337 9.672 -5.484 1.00 62.30 N ATOM 0 H ARG A 57 1.257 9.214 -12.275 1.00 72.33 H new ATOM 0 HA ARG A 57 3.679 10.620 -13.244 1.00 35.14 H new ATOM 0 HB2 ARG A 57 4.379 10.800 -10.923 1.00 34.43 H new ATOM 0 HB3 ARG A 57 2.806 11.549 -11.114 1.00 34.43 H new ATOM 0 HG2 ARG A 57 1.696 9.623 -10.119 1.00 44.12 H new ATOM 0 HG3 ARG A 57 3.193 8.712 -10.093 1.00 44.12 H new ATOM 0 HD2 ARG A 57 4.147 10.095 -8.403 1.00 74.52 H new ATOM 0 HD3 ARG A 57 2.974 11.371 -8.658 1.00 74.52 H new ATOM 0 HE ARG A 57 1.731 8.870 -7.806 1.00 74.43 H new ATOM 0 HH11 ARG A 57 3.399 11.796 -6.750 1.00 14.42 H new ATOM 0 HH12 ARG A 57 2.691 11.755 -5.132 1.00 14.42 H new ATOM 0 HH21 ARG A 57 0.826 8.823 -5.725 1.00 62.30 H new ATOM 0 HH22 ARG A 57 1.240 10.079 -4.554 1.00 62.30 H new ATOM 898 N VAL A 58 5.198 8.617 -12.259 1.00 54.12 N ATOM 899 CA VAL A 58 5.983 7.389 -12.252 1.00 32.43 C ATOM 900 C VAL A 58 5.315 6.315 -11.400 1.00 71.23 C ATOM 901 O VAL A 58 4.964 6.553 -10.245 1.00 62.53 O ATOM 902 CB VAL A 58 7.408 7.636 -11.721 1.00 55.35 C ATOM 903 CG1 VAL A 58 7.362 8.179 -10.301 1.00 60.12 C ATOM 904 CG2 VAL A 58 8.230 6.358 -11.787 1.00 35.14 C ATOM 0 H VAL A 58 5.729 9.458 -12.032 1.00 54.12 H new ATOM 0 HA VAL A 58 6.042 7.046 -13.285 1.00 32.43 H new ATOM 0 HB VAL A 58 7.889 8.382 -12.354 1.00 55.35 H new ATOM 0 HG11 VAL A 58 8.378 8.347 -9.943 1.00 60.12 H new ATOM 0 HG12 VAL A 58 6.812 9.120 -10.289 1.00 60.12 H new ATOM 0 HG13 VAL A 58 6.863 7.459 -9.652 1.00 60.12 H new ATOM 0 HG21 VAL A 58 9.234 6.551 -11.408 1.00 35.14 H new ATOM 0 HG22 VAL A 58 7.755 5.588 -11.180 1.00 35.14 H new ATOM 0 HG23 VAL A 58 8.292 6.018 -12.821 1.00 35.14 H new ATOM 914 N GLY A 59 5.142 5.130 -11.979 1.00 43.33 N ATOM 915 CA GLY A 59 4.517 4.037 -11.259 1.00 60.40 C ATOM 916 C GLY A 59 3.068 3.835 -11.655 1.00 71.11 C ATOM 917 O GLY A 59 2.563 2.712 -11.636 1.00 54.42 O ATOM 0 H GLY A 59 5.424 4.908 -12.934 1.00 43.33 H new ATOM 0 HA2 GLY A 59 5.073 3.118 -11.446 1.00 60.40 H new ATOM 0 HA3 GLY A 59 4.574 4.232 -10.188 1.00 60.40 H new ATOM 921 N ASP A 60 2.397 4.924 -12.013 1.00 1.20 N ATOM 922 CA ASP A 60 0.997 4.862 -12.415 1.00 15.23 C ATOM 923 C ASP A 60 0.818 3.952 -13.626 1.00 45.42 C ATOM 924 O ASP A 60 1.776 3.342 -14.103 1.00 53.31 O ATOM 925 CB ASP A 60 0.472 6.263 -12.732 1.00 44.52 C ATOM 926 CG ASP A 60 0.328 7.123 -11.491 1.00 63.44 C ATOM 927 OD1 ASP A 60 1.156 6.975 -10.569 1.00 4.03 O ATOM 928 OD2 ASP A 60 -0.613 7.942 -11.443 1.00 32.03 O ATOM 0 H ASP A 60 2.800 5.861 -12.033 1.00 1.20 H new ATOM 0 HA ASP A 60 0.425 4.448 -11.585 1.00 15.23 H new ATOM 0 HB2 ASP A 60 1.149 6.752 -13.432 1.00 44.52 H new ATOM 0 HB3 ASP A 60 -0.495 6.182 -13.228 1.00 44.52 H new ATOM 933 N TYR A 61 -0.412 3.866 -14.118 1.00 72.54 N ATOM 934 CA TYR A 61 -0.717 3.027 -15.272 1.00 44.40 C ATOM 935 C TYR A 61 -1.724 3.711 -16.192 1.00 4.43 C ATOM 936 O TYR A 61 -2.512 4.551 -15.754 1.00 63.04 O ATOM 937 CB TYR A 61 -1.263 1.674 -14.815 1.00 75.14 C ATOM 938 CG TYR A 61 -0.344 0.938 -13.867 1.00 50.01 C ATOM 939 CD1 TYR A 61 -0.311 1.254 -12.515 1.00 10.14 C ATOM 940 CD2 TYR A 61 0.491 -0.074 -14.324 1.00 21.32 C ATOM 941 CE1 TYR A 61 0.528 0.585 -11.645 1.00 21.20 C ATOM 942 CE2 TYR A 61 1.332 -0.750 -13.461 1.00 44.11 C ATOM 943 CZ TYR A 61 1.348 -0.416 -12.123 1.00 34.42 C ATOM 944 OH TYR A 61 2.184 -1.086 -11.259 1.00 71.45 O ATOM 0 H TYR A 61 -1.215 4.367 -13.736 1.00 72.54 H new ATOM 0 HA TYR A 61 0.207 2.869 -15.829 1.00 44.40 H new ATOM 0 HB2 TYR A 61 -2.226 1.826 -14.328 1.00 75.14 H new ATOM 0 HB3 TYR A 61 -1.443 1.050 -15.690 1.00 75.14 H new ATOM 0 HD1 TYR A 61 -0.952 2.036 -12.137 1.00 10.14 H new ATOM 0 HD2 TYR A 61 0.483 -0.337 -15.372 1.00 21.32 H new ATOM 0 HE1 TYR A 61 0.542 0.844 -10.597 1.00 21.20 H new ATOM 0 HE2 TYR A 61 1.973 -1.536 -13.832 1.00 44.11 H new ATOM 0 HH TYR A 61 2.319 -2.002 -11.579 1.00 71.45 H new ATOM 954 N LEU A 62 -1.692 3.346 -17.468 1.00 70.34 N ATOM 955 CA LEU A 62 -2.602 3.922 -18.452 1.00 41.32 C ATOM 956 C LEU A 62 -2.817 2.966 -19.621 1.00 42.42 C ATOM 957 O LEU A 62 -1.917 2.216 -19.997 1.00 2.35 O ATOM 958 CB LEU A 62 -2.054 5.256 -18.963 1.00 64.21 C ATOM 959 CG LEU A 62 -2.346 6.479 -18.094 1.00 12.13 C ATOM 960 CD1 LEU A 62 -1.708 7.724 -18.691 1.00 70.41 C ATOM 961 CD2 LEU A 62 -3.847 6.672 -17.932 1.00 50.25 C ATOM 0 H LEU A 62 -1.046 2.654 -17.846 1.00 70.34 H new ATOM 0 HA LEU A 62 -3.562 4.093 -17.966 1.00 41.32 H new ATOM 0 HB2 LEU A 62 -0.974 5.164 -19.074 1.00 64.21 H new ATOM 0 HB3 LEU A 62 -2.462 5.436 -19.958 1.00 64.21 H new ATOM 0 HG LEU A 62 -1.913 6.312 -17.108 1.00 12.13 H new ATOM 0 HD11 LEU A 62 -1.927 8.584 -18.058 1.00 70.41 H new ATOM 0 HD12 LEU A 62 -0.629 7.585 -18.754 1.00 70.41 H new ATOM 0 HD13 LEU A 62 -2.110 7.896 -19.689 1.00 70.41 H new ATOM 0 HD21 LEU A 62 -4.036 7.547 -17.310 1.00 50.25 H new ATOM 0 HD22 LEU A 62 -4.303 6.817 -18.911 1.00 50.25 H new ATOM 0 HD23 LEU A 62 -4.278 5.790 -17.458 1.00 50.25 H new ATOM 973 N GLY A 63 -4.016 3.001 -20.195 1.00 21.23 N ATOM 974 CA GLY A 63 -4.327 2.135 -21.317 1.00 22.52 C ATOM 975 C GLY A 63 -4.752 0.747 -20.878 1.00 12.42 C ATOM 976 O GLY A 63 -4.609 0.388 -19.709 1.00 74.11 O ATOM 0 H GLY A 63 -4.777 3.614 -19.903 1.00 21.23 H new ATOM 0 HA2 GLY A 63 -5.124 2.585 -21.910 1.00 22.52 H new ATOM 0 HA3 GLY A 63 -3.454 2.056 -21.964 1.00 22.52 H new ATOM 980 N ARG A 64 -5.278 -0.033 -21.816 1.00 61.22 N ATOM 981 CA ARG A 64 -5.728 -1.388 -21.519 1.00 54.42 C ATOM 982 C ARG A 64 -4.550 -2.356 -21.477 1.00 43.32 C ATOM 983 O ARG A 64 -4.682 -3.491 -21.021 1.00 51.45 O ATOM 984 CB ARG A 64 -6.745 -1.850 -22.564 1.00 73.32 C ATOM 985 CG ARG A 64 -8.182 -1.502 -22.212 1.00 12.11 C ATOM 986 CD ARG A 64 -9.157 -2.049 -23.243 1.00 41.31 C ATOM 987 NE ARG A 64 -9.074 -3.502 -23.358 1.00 61.21 N ATOM 988 CZ ARG A 64 -9.896 -4.228 -24.107 1.00 34.41 C ATOM 989 NH1 ARG A 64 -10.858 -3.639 -24.804 1.00 32.23 N ATOM 990 NH2 ARG A 64 -9.757 -5.547 -24.160 1.00 52.12 N ATOM 0 H ARG A 64 -5.403 0.250 -22.788 1.00 61.22 H new ATOM 0 HA ARG A 64 -6.203 -1.379 -20.538 1.00 54.42 H new ATOM 0 HB2 ARG A 64 -6.496 -1.399 -23.525 1.00 73.32 H new ATOM 0 HB3 ARG A 64 -6.661 -2.930 -22.687 1.00 73.32 H new ATOM 0 HG2 ARG A 64 -8.425 -1.906 -21.229 1.00 12.11 H new ATOM 0 HG3 ARG A 64 -8.290 -0.419 -22.147 1.00 12.11 H new ATOM 0 HD2 ARG A 64 -10.173 -1.765 -22.968 1.00 41.31 H new ATOM 0 HD3 ARG A 64 -8.951 -1.596 -24.213 1.00 41.31 H new ATOM 0 HE ARG A 64 -8.345 -3.986 -22.834 1.00 61.21 H new ATOM 0 HH11 ARG A 64 -10.968 -2.626 -24.766 1.00 32.23 H new ATOM 0 HH12 ARG A 64 -11.488 -4.199 -25.378 1.00 32.23 H new ATOM 0 HH21 ARG A 64 -9.018 -6.004 -23.625 1.00 52.12 H new ATOM 0 HH22 ARG A 64 -10.389 -6.104 -24.736 1.00 52.12 H new ATOM 1004 N ASN A 65 -3.398 -1.898 -21.957 1.00 24.25 N ATOM 1005 CA ASN A 65 -2.196 -2.724 -21.975 1.00 24.02 C ATOM 1006 C ASN A 65 -1.400 -2.555 -20.684 1.00 61.20 C ATOM 1007 O ASN A 65 -0.257 -3.003 -20.584 1.00 53.51 O ATOM 1008 CB ASN A 65 -1.321 -2.362 -23.177 1.00 73.21 C ATOM 1009 CG ASN A 65 -2.052 -2.532 -24.495 1.00 62.12 C ATOM 1010 OD1 ASN A 65 -2.136 -1.600 -25.296 1.00 30.45 O ATOM 1011 ND2 ASN A 65 -2.585 -3.726 -24.727 1.00 25.35 N ATOM 0 H ASN A 65 -3.272 -0.960 -22.338 1.00 24.25 H new ATOM 0 HA ASN A 65 -2.503 -3.766 -22.058 1.00 24.02 H new ATOM 0 HB2 ASN A 65 -0.985 -1.329 -23.081 1.00 73.21 H new ATOM 0 HB3 ASN A 65 -0.429 -2.988 -23.176 1.00 73.21 H new ATOM 0 HD21 ASN A 65 -3.088 -3.900 -25.597 1.00 25.35 H new ATOM 0 HD22 ASN A 65 -2.491 -4.470 -24.035 1.00 25.35 H new ATOM 1018 N ASP A 66 -2.012 -1.908 -19.699 1.00 10.32 N ATOM 1019 CA ASP A 66 -1.362 -1.681 -18.413 1.00 51.12 C ATOM 1020 C ASP A 66 -0.090 -0.857 -18.585 1.00 64.43 C ATOM 1021 O ASP A 66 0.946 -1.165 -17.996 1.00 73.22 O ATOM 1022 CB ASP A 66 -1.034 -3.015 -17.741 1.00 60.11 C ATOM 1023 CG ASP A 66 -2.177 -4.007 -17.835 1.00 3.14 C ATOM 1024 OD1 ASP A 66 -3.171 -3.839 -17.097 1.00 42.53 O ATOM 1025 OD2 ASP A 66 -2.077 -4.951 -18.646 1.00 35.04 O ATOM 0 H ASP A 66 -2.957 -1.531 -19.766 1.00 10.32 H new ATOM 0 HA ASP A 66 -2.051 -1.123 -17.779 1.00 51.12 H new ATOM 0 HB2 ASP A 66 -0.146 -3.444 -18.205 1.00 60.11 H new ATOM 0 HB3 ASP A 66 -0.793 -2.841 -16.692 1.00 60.11 H new ATOM 1030 N GLY A 67 -0.175 0.191 -19.398 1.00 44.34 N ATOM 1031 CA GLY A 67 0.977 1.042 -19.635 1.00 1.14 C ATOM 1032 C GLY A 67 1.478 1.704 -18.367 1.00 5.43 C ATOM 1033 O GLY A 67 0.969 2.749 -17.959 1.00 65.24 O ATOM 0 H GLY A 67 -1.021 0.466 -19.897 1.00 44.34 H new ATOM 0 HA2 GLY A 67 1.779 0.449 -20.073 1.00 1.14 H new ATOM 0 HA3 GLY A 67 0.714 1.810 -20.363 1.00 1.14 H new ATOM 1037 N LYS A 68 2.479 1.096 -17.739 1.00 31.30 N ATOM 1038 CA LYS A 68 3.050 1.632 -16.509 1.00 62.42 C ATOM 1039 C LYS A 68 4.011 2.778 -16.810 1.00 32.33 C ATOM 1040 O LYS A 68 4.707 2.767 -17.825 1.00 4.13 O ATOM 1041 CB LYS A 68 3.780 0.529 -15.739 1.00 21.02 C ATOM 1042 CG LYS A 68 4.275 0.968 -14.372 1.00 23.14 C ATOM 1043 CD LYS A 68 5.286 -0.014 -13.803 1.00 31.00 C ATOM 1044 CE LYS A 68 4.707 -1.417 -13.709 1.00 23.53 C ATOM 1045 NZ LYS A 68 5.679 -2.380 -13.119 1.00 11.53 N ATOM 0 H LYS A 68 2.912 0.231 -18.062 1.00 31.30 H new ATOM 0 HA LYS A 68 2.235 2.016 -15.896 1.00 62.42 H new ATOM 0 HB2 LYS A 68 3.110 -0.322 -15.618 1.00 21.02 H new ATOM 0 HB3 LYS A 68 4.629 0.185 -16.330 1.00 21.02 H new ATOM 0 HG2 LYS A 68 4.729 1.956 -14.449 1.00 23.14 H new ATOM 0 HG3 LYS A 68 3.430 1.058 -13.690 1.00 23.14 H new ATOM 0 HD2 LYS A 68 6.176 -0.028 -14.433 1.00 31.00 H new ATOM 0 HD3 LYS A 68 5.601 0.318 -12.814 1.00 31.00 H new ATOM 0 HE2 LYS A 68 3.802 -1.396 -13.102 1.00 23.53 H new ATOM 0 HE3 LYS A 68 4.416 -1.757 -14.703 1.00 23.53 H new ATOM 0 HZ1 LYS A 68 5.247 -3.325 -13.072 1.00 11.53 H new ATOM 0 HZ2 LYS A 68 6.533 -2.419 -13.712 1.00 11.53 H new ATOM 0 HZ3 LYS A 68 5.937 -2.069 -12.161 1.00 11.53 H new ATOM 1059 N VAL A 69 4.044 3.765 -15.920 1.00 60.11 N ATOM 1060 CA VAL A 69 4.921 4.917 -16.089 1.00 43.00 C ATOM 1061 C VAL A 69 6.330 4.613 -15.591 1.00 12.01 C ATOM 1062 O VAL A 69 6.526 4.262 -14.427 1.00 62.25 O ATOM 1063 CB VAL A 69 4.379 6.150 -15.341 1.00 62.34 C ATOM 1064 CG1 VAL A 69 5.192 7.387 -15.691 1.00 61.23 C ATOM 1065 CG2 VAL A 69 2.907 6.361 -15.661 1.00 10.11 C ATOM 0 H VAL A 69 3.473 3.790 -15.075 1.00 60.11 H new ATOM 0 HA VAL A 69 4.955 5.135 -17.156 1.00 43.00 H new ATOM 0 HB VAL A 69 4.473 5.975 -14.269 1.00 62.34 H new ATOM 0 HG11 VAL A 69 4.794 8.248 -15.153 1.00 61.23 H new ATOM 0 HG12 VAL A 69 6.233 7.231 -15.407 1.00 61.23 H new ATOM 0 HG13 VAL A 69 5.132 7.570 -16.764 1.00 61.23 H new ATOM 0 HG21 VAL A 69 2.540 7.236 -15.125 1.00 10.11 H new ATOM 0 HG22 VAL A 69 2.786 6.516 -16.733 1.00 10.11 H new ATOM 0 HG23 VAL A 69 2.339 5.483 -15.355 1.00 10.11 H new ATOM 1075 N VAL A 70 7.309 4.751 -16.480 1.00 34.03 N ATOM 1076 CA VAL A 70 8.700 4.493 -16.130 1.00 64.35 C ATOM 1077 C VAL A 70 9.559 5.735 -16.340 1.00 20.13 C ATOM 1078 O VAL A 70 10.548 5.944 -15.639 1.00 0.24 O ATOM 1079 CB VAL A 70 9.282 3.334 -16.962 1.00 30.00 C ATOM 1080 CG1 VAL A 70 8.414 2.092 -16.828 1.00 52.21 C ATOM 1081 CG2 VAL A 70 9.421 3.743 -18.421 1.00 31.24 C ATOM 0 H VAL A 70 7.164 5.040 -17.447 1.00 34.03 H new ATOM 0 HA VAL A 70 8.715 4.218 -15.075 1.00 64.35 H new ATOM 0 HB VAL A 70 10.275 3.097 -16.579 1.00 30.00 H new ATOM 0 HG11 VAL A 70 8.841 1.284 -17.422 1.00 52.21 H new ATOM 0 HG12 VAL A 70 8.371 1.789 -15.782 1.00 52.21 H new ATOM 0 HG13 VAL A 70 7.407 2.312 -17.184 1.00 52.21 H new ATOM 0 HG21 VAL A 70 9.833 2.913 -18.994 1.00 31.24 H new ATOM 0 HG22 VAL A 70 8.442 4.008 -18.820 1.00 31.24 H new ATOM 0 HG23 VAL A 70 10.088 4.602 -18.496 1.00 31.24 H new ATOM 1091 N GLY A 71 9.173 6.558 -17.310 1.00 63.13 N ATOM 1092 CA GLY A 71 9.918 7.770 -17.595 1.00 5.32 C ATOM 1093 C GLY A 71 9.015 8.948 -17.899 1.00 53.43 C ATOM 1094 O GLY A 71 7.946 8.783 -18.489 1.00 44.31 O ATOM 0 H GLY A 71 8.357 6.407 -17.904 1.00 63.13 H new ATOM 0 HA2 GLY A 71 10.551 8.013 -16.742 1.00 5.32 H new ATOM 0 HA3 GLY A 71 10.580 7.595 -18.443 1.00 5.32 H new ATOM 1098 N ILE A 72 9.442 10.140 -17.495 1.00 60.13 N ATOM 1099 CA ILE A 72 8.663 11.350 -17.728 1.00 60.41 C ATOM 1100 C ILE A 72 9.565 12.520 -18.105 1.00 52.11 C ATOM 1101 O ILE A 72 10.517 12.838 -17.393 1.00 13.25 O ATOM 1102 CB ILE A 72 7.835 11.733 -16.488 1.00 15.22 C ATOM 1103 CG1 ILE A 72 6.876 10.600 -16.117 1.00 61.42 C ATOM 1104 CG2 ILE A 72 7.067 13.022 -16.742 1.00 34.24 C ATOM 1105 CD1 ILE A 72 6.095 10.859 -14.848 1.00 53.53 C ATOM 0 H ILE A 72 10.323 10.294 -17.005 1.00 60.13 H new ATOM 0 HA ILE A 72 7.986 11.136 -18.555 1.00 60.41 H new ATOM 0 HB ILE A 72 8.515 11.896 -15.652 1.00 15.22 H new ATOM 0 HG12 ILE A 72 6.177 10.443 -16.938 1.00 61.42 H new ATOM 0 HG13 ILE A 72 7.444 9.677 -16.002 1.00 61.42 H new ATOM 0 HG21 ILE A 72 6.486 13.280 -15.856 1.00 34.24 H new ATOM 0 HG22 ILE A 72 7.769 13.826 -16.963 1.00 34.24 H new ATOM 0 HG23 ILE A 72 6.395 12.884 -17.589 1.00 34.24 H new ATOM 0 HD11 ILE A 72 5.436 10.014 -14.647 1.00 53.53 H new ATOM 0 HD12 ILE A 72 6.786 10.986 -14.015 1.00 53.53 H new ATOM 0 HD13 ILE A 72 5.499 11.764 -14.966 1.00 53.53 H new ATOM 1117 N SER A 73 9.257 13.159 -19.230 1.00 22.25 N ATOM 1118 CA SER A 73 10.041 14.294 -19.703 1.00 30.31 C ATOM 1119 C SER A 73 9.133 15.388 -20.257 1.00 22.42 C ATOM 1120 O SER A 73 7.944 15.166 -20.482 1.00 51.31 O ATOM 1121 CB SER A 73 11.031 13.843 -20.779 1.00 1.52 C ATOM 1122 OG SER A 73 11.747 12.693 -20.364 1.00 4.54 O ATOM 0 H SER A 73 8.471 12.910 -19.830 1.00 22.25 H new ATOM 0 HA SER A 73 10.595 14.700 -18.857 1.00 30.31 H new ATOM 0 HB2 SER A 73 10.495 13.627 -21.703 1.00 1.52 H new ATOM 0 HB3 SER A 73 11.729 14.651 -20.997 1.00 1.52 H new ATOM 0 HG SER A 73 12.372 12.424 -21.070 1.00 4.54 H new ATOM 1128 N GLU A 74 9.704 16.568 -20.473 1.00 42.45 N ATOM 1129 CA GLU A 74 8.946 17.697 -21.000 1.00 44.51 C ATOM 1130 C GLU A 74 8.757 17.569 -22.509 1.00 2.41 C ATOM 1131 O GLU A 74 8.072 18.380 -23.131 1.00 13.04 O ATOM 1132 CB GLU A 74 9.656 19.013 -20.674 1.00 0.21 C ATOM 1133 CG GLU A 74 11.036 19.132 -21.299 1.00 31.32 C ATOM 1134 CD GLU A 74 11.644 20.509 -21.114 1.00 32.51 C ATOM 1135 OE1 GLU A 74 11.071 21.313 -20.350 1.00 52.00 O ATOM 1136 OE2 GLU A 74 12.693 20.781 -21.734 1.00 24.04 O ATOM 0 H GLU A 74 10.688 16.767 -20.292 1.00 42.45 H new ATOM 0 HA GLU A 74 7.964 17.695 -20.527 1.00 44.51 H new ATOM 0 HB2 GLU A 74 9.039 19.843 -21.016 1.00 0.21 H new ATOM 0 HB3 GLU A 74 9.747 19.108 -19.592 1.00 0.21 H new ATOM 0 HG2 GLU A 74 11.696 18.385 -20.858 1.00 31.32 H new ATOM 0 HG3 GLU A 74 10.969 18.909 -22.364 1.00 31.32 H new ATOM 1143 N GLY A 75 9.372 16.544 -23.092 1.00 14.33 N ATOM 1144 CA GLY A 75 9.260 16.328 -24.522 1.00 53.44 C ATOM 1145 C GLY A 75 8.642 14.986 -24.860 1.00 32.03 C ATOM 1146 O GLY A 75 8.130 14.789 -25.962 1.00 62.50 O ATOM 0 H GLY A 75 9.946 15.860 -22.599 1.00 14.33 H new ATOM 0 HA2 GLY A 75 8.656 17.123 -24.960 1.00 53.44 H new ATOM 0 HA3 GLY A 75 10.249 16.393 -24.975 1.00 53.44 H new ATOM 1150 N LYS A 76 8.690 14.059 -23.909 1.00 70.22 N ATOM 1151 CA LYS A 76 8.131 12.727 -24.110 1.00 2.02 C ATOM 1152 C LYS A 76 7.966 12.000 -22.779 1.00 14.41 C ATOM 1153 O LYS A 76 8.447 12.463 -21.745 1.00 5.15 O ATOM 1154 CB LYS A 76 9.029 11.910 -25.041 1.00 25.41 C ATOM 1155 CG LYS A 76 10.483 11.869 -24.602 1.00 61.44 C ATOM 1156 CD LYS A 76 11.324 12.879 -25.364 1.00 0.53 C ATOM 1157 CE LYS A 76 11.863 12.293 -26.660 1.00 12.04 C ATOM 1158 NZ LYS A 76 13.118 11.522 -26.440 1.00 33.11 N ATOM 0 H LYS A 76 9.110 14.206 -22.991 1.00 70.22 H new ATOM 0 HA LYS A 76 7.148 12.838 -24.568 1.00 2.02 H new ATOM 0 HB2 LYS A 76 8.647 10.891 -25.099 1.00 25.41 H new ATOM 0 HB3 LYS A 76 8.973 12.329 -26.046 1.00 25.41 H new ATOM 0 HG2 LYS A 76 10.547 12.073 -23.533 1.00 61.44 H new ATOM 0 HG3 LYS A 76 10.884 10.868 -24.760 1.00 61.44 H new ATOM 0 HD2 LYS A 76 10.723 13.761 -25.585 1.00 0.53 H new ATOM 0 HD3 LYS A 76 12.155 13.207 -24.739 1.00 0.53 H new ATOM 0 HE2 LYS A 76 11.110 11.642 -27.105 1.00 12.04 H new ATOM 0 HE3 LYS A 76 12.051 13.097 -27.372 1.00 12.04 H new ATOM 0 HZ1 LYS A 76 13.454 11.139 -27.347 1.00 33.11 H new ATOM 0 HZ2 LYS A 76 13.845 12.149 -26.039 1.00 33.11 H new ATOM 0 HZ3 LYS A 76 12.933 10.739 -25.781 1.00 33.11 H new ATOM 1172 N ILE A 77 7.283 10.861 -22.813 1.00 62.22 N ATOM 1173 CA ILE A 77 7.057 10.070 -21.610 1.00 22.11 C ATOM 1174 C ILE A 77 7.254 8.583 -21.884 1.00 63.13 C ATOM 1175 O ILE A 77 6.641 8.022 -22.793 1.00 2.31 O ATOM 1176 CB ILE A 77 5.641 10.293 -21.047 1.00 41.31 C ATOM 1177 CG1 ILE A 77 5.391 11.785 -20.814 1.00 74.43 C ATOM 1178 CG2 ILE A 77 5.455 9.511 -19.755 1.00 41.43 C ATOM 1179 CD1 ILE A 77 4.464 12.408 -21.835 1.00 1.23 C ATOM 0 H ILE A 77 6.876 10.465 -23.661 1.00 62.22 H new ATOM 0 HA ILE A 77 7.789 10.401 -20.873 1.00 22.11 H new ATOM 0 HB ILE A 77 4.915 9.931 -21.775 1.00 41.31 H new ATOM 0 HG12 ILE A 77 4.968 11.923 -19.819 1.00 74.43 H new ATOM 0 HG13 ILE A 77 6.345 12.312 -20.831 1.00 74.43 H new ATOM 0 HG21 ILE A 77 4.449 9.679 -19.370 1.00 41.43 H new ATOM 0 HG22 ILE A 77 5.596 8.448 -19.950 1.00 41.43 H new ATOM 0 HG23 ILE A 77 6.186 9.845 -19.019 1.00 41.43 H new ATOM 0 HD11 ILE A 77 4.332 13.466 -21.609 1.00 1.23 H new ATOM 0 HD12 ILE A 77 4.895 12.301 -22.831 1.00 1.23 H new ATOM 0 HD13 ILE A 77 3.497 11.906 -21.802 1.00 1.23 H new ATOM 1191 N ASP A 78 8.112 7.949 -21.092 1.00 41.52 N ATOM 1192 CA ASP A 78 8.388 6.526 -21.247 1.00 63.03 C ATOM 1193 C ASP A 78 7.449 5.693 -20.381 1.00 72.44 C ATOM 1194 O ASP A 78 7.262 5.977 -19.198 1.00 55.34 O ATOM 1195 CB ASP A 78 9.842 6.224 -20.881 1.00 22.12 C ATOM 1196 CG ASP A 78 10.811 7.219 -21.489 1.00 23.32 C ATOM 1197 OD1 ASP A 78 11.033 8.283 -20.874 1.00 34.53 O ATOM 1198 OD2 ASP A 78 11.348 6.934 -22.580 1.00 73.13 O ATOM 0 H ASP A 78 8.628 8.399 -20.336 1.00 41.52 H new ATOM 0 HA ASP A 78 8.222 6.260 -22.291 1.00 63.03 H new ATOM 0 HB2 ASP A 78 9.950 6.233 -19.796 1.00 22.12 H new ATOM 0 HB3 ASP A 78 10.098 5.220 -21.219 1.00 22.12 H new ATOM 1203 N VAL A 79 6.859 4.662 -20.979 1.00 40.24 N ATOM 1204 CA VAL A 79 5.939 3.787 -20.263 1.00 54.12 C ATOM 1205 C VAL A 79 6.031 2.354 -20.776 1.00 3.41 C ATOM 1206 O VAL A 79 6.294 2.123 -21.956 1.00 64.23 O ATOM 1207 CB VAL A 79 4.484 4.275 -20.395 1.00 35.33 C ATOM 1208 CG1 VAL A 79 4.370 5.735 -19.983 1.00 62.31 C ATOM 1209 CG2 VAL A 79 3.981 4.072 -21.816 1.00 53.41 C ATOM 0 H VAL A 79 7.002 4.413 -21.958 1.00 40.24 H new ATOM 0 HA VAL A 79 6.230 3.813 -19.213 1.00 54.12 H new ATOM 0 HB VAL A 79 3.859 3.684 -19.725 1.00 35.33 H new ATOM 0 HG11 VAL A 79 3.335 6.062 -20.083 1.00 62.31 H new ATOM 0 HG12 VAL A 79 4.687 5.846 -18.946 1.00 62.31 H new ATOM 0 HG13 VAL A 79 5.006 6.345 -20.624 1.00 62.31 H new ATOM 0 HG21 VAL A 79 2.952 4.422 -21.891 1.00 53.41 H new ATOM 0 HG22 VAL A 79 4.607 4.635 -22.508 1.00 53.41 H new ATOM 0 HG23 VAL A 79 4.023 3.013 -22.069 1.00 53.41 H new ATOM 1219 N ILE A 80 5.813 1.397 -19.881 1.00 71.54 N ATOM 1220 CA ILE A 80 5.870 -0.014 -20.244 1.00 22.10 C ATOM 1221 C ILE A 80 4.471 -0.591 -20.431 1.00 10.11 C ATOM 1222 O ILE A 80 3.681 -0.645 -19.489 1.00 61.40 O ATOM 1223 CB ILE A 80 6.615 -0.839 -19.178 1.00 64.54 C ATOM 1224 CG1 ILE A 80 8.124 -0.789 -19.426 1.00 64.34 C ATOM 1225 CG2 ILE A 80 6.120 -2.278 -19.181 1.00 22.01 C ATOM 1226 CD1 ILE A 80 8.563 -1.575 -20.642 1.00 44.23 C ATOM 0 H ILE A 80 5.595 1.572 -18.900 1.00 71.54 H new ATOM 0 HA ILE A 80 6.414 -0.076 -21.186 1.00 22.10 H new ATOM 0 HB ILE A 80 6.412 -0.407 -18.198 1.00 64.54 H new ATOM 0 HG12 ILE A 80 8.430 0.250 -19.545 1.00 64.34 H new ATOM 0 HG13 ILE A 80 8.641 -1.175 -18.548 1.00 64.34 H new ATOM 0 HG21 ILE A 80 6.656 -2.849 -18.422 1.00 22.01 H new ATOM 0 HG22 ILE A 80 5.052 -2.296 -18.962 1.00 22.01 H new ATOM 0 HG23 ILE A 80 6.297 -2.722 -20.161 1.00 22.01 H new ATOM 0 HD11 ILE A 80 9.644 -1.495 -20.756 1.00 44.23 H new ATOM 0 HD12 ILE A 80 8.288 -2.622 -20.517 1.00 44.23 H new ATOM 0 HD13 ILE A 80 8.074 -1.175 -21.530 1.00 44.23 H new ATOM 1238 N GLU A 81 4.173 -1.022 -21.653 1.00 13.24 N ATOM 1239 CA GLU A 81 2.869 -1.596 -21.962 1.00 55.12 C ATOM 1240 C GLU A 81 2.981 -3.096 -22.216 1.00 31.54 C ATOM 1241 O GLU A 81 4.071 -3.616 -22.455 1.00 23.11 O ATOM 1242 CB GLU A 81 2.260 -0.905 -23.184 1.00 72.34 C ATOM 1243 CG GLU A 81 2.144 0.603 -23.037 1.00 64.51 C ATOM 1244 CD GLU A 81 2.445 1.340 -24.328 1.00 23.53 C ATOM 1245 OE1 GLU A 81 2.418 0.696 -25.398 1.00 11.12 O ATOM 1246 OE2 GLU A 81 2.708 2.559 -24.268 1.00 24.31 O ATOM 0 H GLU A 81 4.816 -0.985 -22.444 1.00 13.24 H new ATOM 0 HA GLU A 81 2.218 -1.438 -21.102 1.00 55.12 H new ATOM 0 HB2 GLU A 81 2.869 -1.130 -24.059 1.00 72.34 H new ATOM 0 HB3 GLU A 81 1.270 -1.321 -23.370 1.00 72.34 H new ATOM 0 HG2 GLU A 81 1.137 0.856 -22.705 1.00 64.51 H new ATOM 0 HG3 GLU A 81 2.830 0.942 -22.261 1.00 64.51 H new ATOM 1253 N ILE A 82 1.847 -3.786 -22.160 1.00 74.34 N ATOM 1254 CA ILE A 82 1.817 -5.226 -22.384 1.00 62.32 C ATOM 1255 C ILE A 82 1.159 -5.562 -23.718 1.00 42.03 C ATOM 1256 O ILE A 82 0.082 -5.058 -24.036 1.00 34.35 O ATOM 1257 CB ILE A 82 1.065 -5.956 -21.256 1.00 22.23 C ATOM 1258 CG1 ILE A 82 1.558 -5.474 -19.890 1.00 24.32 C ATOM 1259 CG2 ILE A 82 1.243 -7.461 -21.388 1.00 73.41 C ATOM 1260 CD1 ILE A 82 3.035 -5.711 -19.663 1.00 1.34 C ATOM 0 H ILE A 82 0.937 -3.371 -21.961 1.00 74.34 H new ATOM 0 HA ILE A 82 2.853 -5.564 -22.397 1.00 62.32 H new ATOM 0 HB ILE A 82 0.003 -5.727 -21.340 1.00 22.23 H new ATOM 0 HG12 ILE A 82 1.350 -4.408 -19.793 1.00 24.32 H new ATOM 0 HG13 ILE A 82 0.992 -5.982 -19.109 1.00 24.32 H new ATOM 0 HG21 ILE A 82 0.706 -7.963 -20.583 1.00 73.41 H new ATOM 0 HG22 ILE A 82 0.849 -7.791 -22.349 1.00 73.41 H new ATOM 0 HG23 ILE A 82 2.303 -7.709 -21.326 1.00 73.41 H new ATOM 0 HD11 ILE A 82 3.315 -5.345 -18.675 1.00 1.34 H new ATOM 0 HD12 ILE A 82 3.246 -6.778 -19.728 1.00 1.34 H new ATOM 0 HD13 ILE A 82 3.610 -5.181 -20.422 1.00 1.34 H new ATOM 1272 N VAL A 83 1.814 -6.418 -24.496 1.00 62.02 N ATOM 1273 CA VAL A 83 1.292 -6.824 -25.795 1.00 71.24 C ATOM 1274 C VAL A 83 1.476 -8.321 -26.018 1.00 71.11 C ATOM 1275 O VAL A 83 2.365 -8.954 -25.448 1.00 72.21 O ATOM 1276 CB VAL A 83 1.979 -6.058 -26.941 1.00 52.42 C ATOM 1277 CG1 VAL A 83 1.480 -4.622 -26.998 1.00 13.12 C ATOM 1278 CG2 VAL A 83 3.491 -6.099 -26.778 1.00 73.21 C ATOM 0 H VAL A 83 2.707 -6.844 -24.249 1.00 62.02 H new ATOM 0 HA VAL A 83 0.228 -6.587 -25.796 1.00 71.24 H new ATOM 0 HB VAL A 83 1.725 -6.544 -27.883 1.00 52.42 H new ATOM 0 HG11 VAL A 83 1.976 -4.096 -27.814 1.00 13.12 H new ATOM 0 HG12 VAL A 83 0.403 -4.617 -27.166 1.00 13.12 H new ATOM 0 HG13 VAL A 83 1.703 -4.122 -26.055 1.00 13.12 H new ATOM 0 HG21 VAL A 83 3.960 -5.553 -27.596 1.00 73.21 H new ATOM 0 HG22 VAL A 83 3.767 -5.639 -25.829 1.00 73.21 H new ATOM 0 HG23 VAL A 83 3.830 -7.135 -26.791 1.00 73.21 H new ATOM 1288 N PRO A 84 0.616 -8.903 -26.868 1.00 4.03 N ATOM 1289 CA PRO A 84 0.664 -10.333 -27.187 1.00 4.03 C ATOM 1290 C PRO A 84 1.888 -10.701 -28.019 1.00 2.52 C ATOM 1291 O PRO A 84 2.427 -9.868 -28.749 1.00 31.41 O ATOM 1292 CB PRO A 84 -0.618 -10.560 -27.992 1.00 5.02 C ATOM 1293 CG PRO A 84 -0.933 -9.230 -28.584 1.00 72.15 C ATOM 1294 CD PRO A 84 -0.468 -8.210 -27.583 1.00 10.51 C ATOM 0 HA PRO A 84 0.735 -10.948 -26.290 1.00 4.03 H new ATOM 0 HB2 PRO A 84 -0.471 -11.313 -28.766 1.00 5.02 H new ATOM 0 HB3 PRO A 84 -1.429 -10.912 -27.354 1.00 5.02 H new ATOM 0 HG2 PRO A 84 -0.426 -9.098 -29.540 1.00 72.15 H new ATOM 0 HG3 PRO A 84 -2.002 -9.131 -28.774 1.00 72.15 H new ATOM 0 HD2 PRO A 84 -0.112 -7.302 -28.070 1.00 10.51 H new ATOM 0 HD3 PRO A 84 -1.271 -7.915 -26.907 1.00 10.51 H new ATOM 1302 N ASP A 85 2.322 -11.951 -27.904 1.00 52.13 N ATOM 1303 CA ASP A 85 3.482 -12.429 -28.648 1.00 33.23 C ATOM 1304 C ASP A 85 3.064 -12.994 -30.002 1.00 1.11 C ATOM 1305 O ASP A 85 3.856 -13.027 -30.943 1.00 31.32 O ATOM 1306 CB ASP A 85 4.225 -13.497 -27.843 1.00 41.42 C ATOM 1307 CG ASP A 85 5.657 -13.679 -28.307 1.00 53.04 C ATOM 1308 OD1 ASP A 85 6.047 -13.027 -29.299 1.00 30.11 O ATOM 1309 OD2 ASP A 85 6.387 -14.473 -27.679 1.00 3.21 O ATOM 0 H ASP A 85 1.888 -12.652 -27.303 1.00 52.13 H new ATOM 0 HA ASP A 85 4.148 -11.583 -28.818 1.00 33.23 H new ATOM 0 HB2 ASP A 85 4.220 -13.222 -26.788 1.00 41.42 H new ATOM 0 HB3 ASP A 85 3.695 -14.446 -27.928 1.00 41.42 H new ATOM 1314 N GLY A 86 1.814 -13.438 -30.092 1.00 62.53 N ATOM 1315 CA GLY A 86 1.314 -13.997 -31.335 1.00 34.14 C ATOM 1316 C GLY A 86 0.844 -15.430 -31.178 1.00 41.13 C ATOM 1317 O GLY A 86 0.160 -15.963 -32.050 1.00 75.55 O ATOM 0 H GLY A 86 1.139 -13.421 -29.327 1.00 62.53 H new ATOM 0 HA2 GLY A 86 0.489 -13.385 -31.699 1.00 34.14 H new ATOM 0 HA3 GLY A 86 2.099 -13.956 -32.090 1.00 34.14 H new ATOM 1321 N GLU A 87 1.214 -16.054 -30.065 1.00 24.43 N ATOM 1322 CA GLU A 87 0.828 -17.435 -29.799 1.00 62.25 C ATOM 1323 C GLU A 87 -0.179 -17.508 -28.656 1.00 32.34 C ATOM 1324 O GLU A 87 -1.088 -18.338 -28.666 1.00 4.20 O ATOM 1325 CB GLU A 87 2.061 -18.277 -29.463 1.00 33.22 C ATOM 1326 CG GLU A 87 3.016 -17.598 -28.496 1.00 20.32 C ATOM 1327 CD GLU A 87 4.214 -18.464 -28.155 1.00 14.42 C ATOM 1328 OE1 GLU A 87 4.016 -19.533 -27.540 1.00 43.13 O ATOM 1329 OE2 GLU A 87 5.347 -18.072 -28.502 1.00 4.04 O ATOM 0 H GLU A 87 1.780 -15.626 -29.333 1.00 24.43 H new ATOM 0 HA GLU A 87 0.359 -17.834 -30.698 1.00 62.25 H new ATOM 0 HB2 GLU A 87 1.737 -19.226 -29.035 1.00 33.22 H new ATOM 0 HB3 GLU A 87 2.594 -18.509 -30.385 1.00 33.22 H new ATOM 0 HG2 GLU A 87 3.362 -16.660 -28.931 1.00 20.32 H new ATOM 0 HG3 GLU A 87 2.482 -17.346 -27.580 1.00 20.32 H new ATOM 1336 N GLY A 88 -0.010 -16.633 -27.669 1.00 30.12 N ATOM 1337 CA GLY A 88 -0.910 -16.615 -26.531 1.00 35.11 C ATOM 1338 C GLY A 88 -0.302 -15.934 -25.321 1.00 54.41 C ATOM 1339 O GLY A 88 -1.020 -15.460 -24.441 1.00 60.31 O ATOM 0 H GLY A 88 0.734 -15.936 -27.638 1.00 30.12 H new ATOM 0 HA2 GLY A 88 -1.831 -16.102 -26.808 1.00 35.11 H new ATOM 0 HA3 GLY A 88 -1.181 -17.638 -26.270 1.00 35.11 H new ATOM 1343 N ASN A 89 1.025 -15.885 -25.276 1.00 41.13 N ATOM 1344 CA ASN A 89 1.730 -15.258 -24.164 1.00 32.32 C ATOM 1345 C ASN A 89 1.909 -13.763 -24.406 1.00 54.34 C ATOM 1346 O ASN A 89 1.889 -13.302 -25.548 1.00 24.31 O ATOM 1347 CB ASN A 89 3.094 -15.920 -23.960 1.00 1.15 C ATOM 1348 CG ASN A 89 3.049 -17.419 -24.182 1.00 74.30 C ATOM 1349 OD1 ASN A 89 3.430 -17.852 -25.378 1.00 3.44 O flip ATOM 1350 ND2 ASN A 89 2.675 -18.180 -23.289 1.00 51.44 N flip ATOM 0 H ASN A 89 1.634 -16.272 -25.997 1.00 41.13 H new ATOM 0 HA ASN A 89 1.130 -15.392 -23.264 1.00 32.32 H new ATOM 0 HB2 ASN A 89 3.816 -15.476 -24.645 1.00 1.15 H new ATOM 0 HB3 ASN A 89 3.446 -15.716 -22.949 1.00 1.15 H new ATOM 0 HD21 ASN A 89 2.391 -17.804 -22.384 1.00 51.44 H new ATOM 0 HD22 ASN A 89 2.649 -19.186 -23.454 1.00 51.44 H new ATOM 1357 N TRP A 90 2.083 -13.011 -23.326 1.00 11.42 N ATOM 1358 CA TRP A 90 2.266 -11.567 -23.421 1.00 50.32 C ATOM 1359 C TRP A 90 3.726 -11.188 -23.203 1.00 5.44 C ATOM 1360 O TRP A 90 4.522 -11.994 -22.719 1.00 32.05 O ATOM 1361 CB TRP A 90 1.382 -10.851 -22.398 1.00 71.35 C ATOM 1362 CG TRP A 90 -0.076 -11.166 -22.550 1.00 43.10 C ATOM 1363 CD1 TRP A 90 -0.738 -12.246 -22.040 1.00 53.31 C ATOM 1364 CD2 TRP A 90 -1.050 -10.394 -23.261 1.00 3.24 C ATOM 1365 NE1 TRP A 90 -2.066 -12.191 -22.391 1.00 63.40 N ATOM 1366 CE2 TRP A 90 -2.282 -11.065 -23.139 1.00 54.51 C ATOM 1367 CE3 TRP A 90 -1.001 -9.200 -23.986 1.00 31.32 C ATOM 1368 CZ2 TRP A 90 -3.453 -10.581 -23.717 1.00 40.42 C ATOM 1369 CZ3 TRP A 90 -2.164 -8.721 -24.559 1.00 63.52 C ATOM 1370 CH2 TRP A 90 -3.376 -9.410 -24.422 1.00 33.03 C ATOM 0 H TRP A 90 2.101 -13.377 -22.374 1.00 11.42 H new ATOM 0 HA TRP A 90 1.975 -11.254 -24.424 1.00 50.32 H new ATOM 0 HB2 TRP A 90 1.703 -11.127 -21.394 1.00 71.35 H new ATOM 0 HB3 TRP A 90 1.526 -9.775 -22.494 1.00 71.35 H new ATOM 0 HD1 TRP A 90 -0.285 -13.028 -21.448 1.00 53.31 H new ATOM 0 HE1 TRP A 90 -2.775 -12.878 -22.136 1.00 63.40 H new ATOM 0 HE3 TRP A 90 -0.071 -8.662 -24.096 1.00 31.32 H new ATOM 0 HZ2 TRP A 90 -4.388 -11.111 -23.613 1.00 40.42 H new ATOM 0 HZ3 TRP A 90 -2.138 -7.800 -25.122 1.00 63.52 H new ATOM 0 HH2 TRP A 90 -4.267 -9.009 -24.882 1.00 33.03 H new ATOM 1381 N LEU A 91 4.074 -9.957 -23.562 1.00 13.45 N ATOM 1382 CA LEU A 91 5.440 -9.470 -23.404 1.00 20.40 C ATOM 1383 C LEU A 91 5.456 -7.970 -23.130 1.00 31.03 C ATOM 1384 O LEU A 91 4.474 -7.273 -23.384 1.00 21.15 O ATOM 1385 CB LEU A 91 6.260 -9.780 -24.658 1.00 2.05 C ATOM 1386 CG LEU A 91 6.895 -11.170 -24.718 1.00 53.12 C ATOM 1387 CD1 LEU A 91 7.197 -11.556 -26.158 1.00 23.24 C ATOM 1388 CD2 LEU A 91 8.160 -11.216 -23.874 1.00 43.34 C ATOM 0 H LEU A 91 3.429 -9.278 -23.965 1.00 13.45 H new ATOM 0 HA LEU A 91 5.885 -9.980 -22.550 1.00 20.40 H new ATOM 0 HB2 LEU A 91 5.615 -9.659 -25.528 1.00 2.05 H new ATOM 0 HB3 LEU A 91 7.053 -9.036 -24.743 1.00 2.05 H new ATOM 0 HG LEU A 91 6.186 -11.891 -24.311 1.00 53.12 H new ATOM 0 HD11 LEU A 91 7.648 -12.548 -26.182 1.00 23.24 H new ATOM 0 HD12 LEU A 91 6.272 -11.565 -26.734 1.00 23.24 H new ATOM 0 HD13 LEU A 91 7.888 -10.833 -26.591 1.00 23.24 H new ATOM 0 HD21 LEU A 91 8.598 -12.213 -23.929 1.00 43.34 H new ATOM 0 HD22 LEU A 91 8.875 -10.484 -24.250 1.00 43.34 H new ATOM 0 HD23 LEU A 91 7.915 -10.984 -22.838 1.00 43.34 H new ATOM 1400 N GLU A 92 6.578 -7.480 -22.612 1.00 40.00 N ATOM 1401 CA GLU A 92 6.721 -6.062 -22.305 1.00 42.32 C ATOM 1402 C GLU A 92 6.947 -5.250 -23.577 1.00 51.24 C ATOM 1403 O GLU A 92 7.491 -5.754 -24.560 1.00 33.30 O ATOM 1404 CB GLU A 92 7.883 -5.842 -21.334 1.00 61.01 C ATOM 1405 CG GLU A 92 9.234 -6.246 -21.900 1.00 21.30 C ATOM 1406 CD GLU A 92 9.605 -7.677 -21.559 1.00 51.43 C ATOM 1407 OE1 GLU A 92 9.641 -8.010 -20.357 1.00 24.34 O ATOM 1408 OE2 GLU A 92 9.858 -8.462 -22.496 1.00 64.44 O ATOM 0 H GLU A 92 7.400 -8.044 -22.396 1.00 40.00 H new ATOM 0 HA GLU A 92 5.797 -5.723 -21.837 1.00 42.32 H new ATOM 0 HB2 GLU A 92 7.916 -4.789 -21.053 1.00 61.01 H new ATOM 0 HB3 GLU A 92 7.696 -6.409 -20.422 1.00 61.01 H new ATOM 0 HG2 GLU A 92 9.220 -6.126 -22.983 1.00 21.30 H new ATOM 0 HG3 GLU A 92 10.001 -5.574 -21.515 1.00 21.30 H new ATOM 1415 N ARG A 93 6.525 -3.990 -23.551 1.00 54.01 N ATOM 1416 CA ARG A 93 6.679 -3.108 -24.702 1.00 35.40 C ATOM 1417 C ARG A 93 6.865 -1.661 -24.257 1.00 15.31 C ATOM 1418 O ARG A 93 5.903 -0.913 -24.075 1.00 24.12 O ATOM 1419 CB ARG A 93 5.461 -3.218 -25.622 1.00 10.04 C ATOM 1420 CG ARG A 93 5.765 -2.897 -27.076 1.00 23.21 C ATOM 1421 CD ARG A 93 4.595 -2.196 -27.748 1.00 64.23 C ATOM 1422 NE ARG A 93 4.773 -2.101 -29.195 1.00 14.22 N ATOM 1423 CZ ARG A 93 3.852 -1.611 -30.017 1.00 74.23 C ATOM 1424 NH1 ARG A 93 2.695 -1.174 -29.538 1.00 60.43 N ATOM 1425 NH2 ARG A 93 4.087 -1.557 -31.322 1.00 72.31 N ATOM 0 H ARG A 93 6.074 -3.557 -22.745 1.00 54.01 H new ATOM 0 HA ARG A 93 7.569 -3.418 -25.250 1.00 35.40 H new ATOM 0 HB2 ARG A 93 5.058 -4.229 -25.558 1.00 10.04 H new ATOM 0 HB3 ARG A 93 4.684 -2.542 -25.264 1.00 10.04 H new ATOM 0 HG2 ARG A 93 6.651 -2.264 -27.133 1.00 23.21 H new ATOM 0 HG3 ARG A 93 5.996 -3.817 -27.612 1.00 23.21 H new ATOM 0 HD2 ARG A 93 3.674 -2.737 -27.531 1.00 64.23 H new ATOM 0 HD3 ARG A 93 4.483 -1.196 -27.330 1.00 64.23 H new ATOM 0 HE ARG A 93 5.652 -2.429 -29.596 1.00 14.22 H new ATOM 0 HH11 ARG A 93 2.510 -1.214 -28.536 1.00 60.43 H new ATOM 0 HH12 ARG A 93 1.990 -0.798 -30.172 1.00 60.43 H new ATOM 0 HH21 ARG A 93 4.976 -1.892 -31.694 1.00 72.31 H new ATOM 0 HH22 ARG A 93 3.379 -1.181 -31.953 1.00 72.31 H new ATOM 1439 N PRO A 94 8.130 -1.255 -24.077 1.00 2.24 N ATOM 1440 CA PRO A 94 8.472 0.106 -23.651 1.00 21.43 C ATOM 1441 C PRO A 94 8.191 1.140 -24.735 1.00 1.31 C ATOM 1442 O PRO A 94 9.002 1.341 -25.639 1.00 52.24 O ATOM 1443 CB PRO A 94 9.974 0.022 -23.368 1.00 21.31 C ATOM 1444 CG PRO A 94 10.457 -1.104 -24.215 1.00 71.33 C ATOM 1445 CD PRO A 94 9.325 -2.092 -24.275 1.00 71.43 C ATOM 0 HA PRO A 94 7.880 0.426 -22.793 1.00 21.43 H new ATOM 0 HB2 PRO A 94 10.478 0.954 -23.624 1.00 21.31 H new ATOM 0 HB3 PRO A 94 10.168 -0.166 -22.312 1.00 21.31 H new ATOM 0 HG2 PRO A 94 10.724 -0.755 -25.213 1.00 71.33 H new ATOM 0 HG3 PRO A 94 11.350 -1.559 -23.787 1.00 71.33 H new ATOM 0 HD2 PRO A 94 9.297 -2.613 -25.232 1.00 71.43 H new ATOM 0 HD3 PRO A 94 9.415 -2.854 -23.500 1.00 71.43 H new ATOM 1453 N ARG A 95 7.038 1.795 -24.638 1.00 24.44 N ATOM 1454 CA ARG A 95 6.651 2.808 -25.611 1.00 52.40 C ATOM 1455 C ARG A 95 6.861 4.211 -25.048 1.00 54.00 C ATOM 1456 O ARG A 95 6.656 4.450 -23.858 1.00 55.21 O ATOM 1457 CB ARG A 95 5.187 2.624 -26.016 1.00 63.44 C ATOM 1458 CG ARG A 95 4.983 2.494 -27.517 1.00 33.11 C ATOM 1459 CD ARG A 95 3.620 3.020 -27.941 1.00 23.12 C ATOM 1460 NE ARG A 95 3.685 3.755 -29.201 1.00 3.10 N ATOM 1461 CZ ARG A 95 2.757 4.619 -29.597 1.00 31.14 C ATOM 1462 NH1 ARG A 95 1.698 4.855 -28.834 1.00 62.21 N ATOM 1463 NH2 ARG A 95 2.887 5.249 -30.757 1.00 12.31 N ATOM 0 H ARG A 95 6.356 1.642 -23.895 1.00 24.44 H new ATOM 0 HA ARG A 95 7.282 2.690 -26.492 1.00 52.40 H new ATOM 0 HB2 ARG A 95 4.792 1.734 -25.526 1.00 63.44 H new ATOM 0 HB3 ARG A 95 4.608 3.473 -25.651 1.00 63.44 H new ATOM 0 HG2 ARG A 95 5.765 3.043 -28.041 1.00 33.11 H new ATOM 0 HG3 ARG A 95 5.078 1.448 -27.809 1.00 33.11 H new ATOM 0 HD2 ARG A 95 2.925 2.186 -28.043 1.00 23.12 H new ATOM 0 HD3 ARG A 95 3.224 3.671 -27.162 1.00 23.12 H new ATOM 0 HE ARG A 95 4.487 3.596 -29.811 1.00 3.10 H new ATOM 0 HH11 ARG A 95 1.595 4.373 -27.941 1.00 62.21 H new ATOM 0 HH12 ARG A 95 0.987 5.519 -29.140 1.00 62.21 H new ATOM 0 HH21 ARG A 95 3.700 5.070 -31.346 1.00 12.31 H new ATOM 0 HH22 ARG A 95 2.174 5.912 -31.060 1.00 12.31 H new ATOM 1477 N SER A 96 7.271 5.134 -25.911 1.00 50.55 N ATOM 1478 CA SER A 96 7.513 6.512 -25.500 1.00 11.33 C ATOM 1479 C SER A 96 6.544 7.465 -26.194 1.00 22.20 C ATOM 1480 O SER A 96 6.479 7.516 -27.423 1.00 31.10 O ATOM 1481 CB SER A 96 8.955 6.915 -25.814 1.00 0.02 C ATOM 1482 OG SER A 96 9.729 5.789 -26.188 1.00 61.40 O ATOM 0 H SER A 96 7.443 4.953 -26.900 1.00 50.55 H new ATOM 0 HA SER A 96 7.351 6.577 -24.424 1.00 11.33 H new ATOM 0 HB2 SER A 96 8.963 7.650 -26.619 1.00 0.02 H new ATOM 0 HB3 SER A 96 9.401 7.393 -24.942 1.00 0.02 H new ATOM 0 HG SER A 96 10.646 6.073 -26.385 1.00 61.40 H new ATOM 1488 N LEU A 97 5.793 8.218 -25.398 1.00 70.13 N ATOM 1489 CA LEU A 97 4.826 9.170 -25.935 1.00 5.04 C ATOM 1490 C LEU A 97 5.426 10.571 -26.009 1.00 73.32 C ATOM 1491 O LEU A 97 5.567 11.253 -24.994 1.00 21.24 O ATOM 1492 CB LEU A 97 3.565 9.188 -25.070 1.00 11.02 C ATOM 1493 CG LEU A 97 3.084 7.831 -24.556 1.00 20.42 C ATOM 1494 CD1 LEU A 97 3.605 7.577 -23.150 1.00 15.45 C ATOM 1495 CD2 LEU A 97 1.564 7.757 -24.585 1.00 43.03 C ATOM 0 H LEU A 97 5.835 8.188 -24.379 1.00 70.13 H new ATOM 0 HA LEU A 97 4.562 8.853 -26.944 1.00 5.04 H new ATOM 0 HB2 LEU A 97 3.746 9.835 -24.212 1.00 11.02 H new ATOM 0 HB3 LEU A 97 2.759 9.642 -25.647 1.00 11.02 H new ATOM 0 HG LEU A 97 3.478 7.056 -25.213 1.00 20.42 H new ATOM 0 HD11 LEU A 97 3.252 6.606 -22.801 1.00 15.45 H new ATOM 0 HD12 LEU A 97 4.695 7.585 -23.159 1.00 15.45 H new ATOM 0 HD13 LEU A 97 3.242 8.357 -22.481 1.00 15.45 H new ATOM 0 HD21 LEU A 97 1.240 6.784 -24.216 1.00 43.03 H new ATOM 0 HD22 LEU A 97 1.149 8.542 -23.952 1.00 43.03 H new ATOM 0 HD23 LEU A 97 1.213 7.892 -25.608 1.00 43.03 H new ATOM 1507 N THR A 98 5.775 10.996 -27.219 1.00 62.25 N ATOM 1508 CA THR A 98 6.358 12.315 -27.427 1.00 51.34 C ATOM 1509 C THR A 98 5.279 13.356 -27.703 1.00 34.13 C ATOM 1510 O THR A 98 4.229 13.043 -28.267 1.00 23.21 O ATOM 1511 CB THR A 98 7.360 12.309 -28.598 1.00 15.14 C ATOM 1512 OG1 THR A 98 6.680 12.009 -29.822 1.00 44.21 O ATOM 1513 CG2 THR A 98 8.462 11.289 -28.360 1.00 65.45 C ATOM 0 H THR A 98 5.664 10.445 -28.070 1.00 62.25 H new ATOM 0 HA THR A 98 6.885 12.575 -26.509 1.00 51.34 H new ATOM 0 HB THR A 98 7.812 13.299 -28.668 1.00 15.14 H new ATOM 0 HG1 THR A 98 7.323 12.009 -30.562 1.00 44.21 H new ATOM 0 HG21 THR A 98 9.158 11.302 -29.199 1.00 65.45 H new ATOM 0 HG22 THR A 98 8.996 11.537 -27.442 1.00 65.45 H new ATOM 0 HG23 THR A 98 8.024 10.295 -28.267 1.00 65.45 H new ATOM 1521 N LEU A 99 5.542 14.595 -27.302 1.00 70.22 N ATOM 1522 CA LEU A 99 4.592 15.683 -27.507 1.00 4.22 C ATOM 1523 C LEU A 99 4.133 15.739 -28.960 1.00 72.22 C ATOM 1524 O LEU A 99 4.949 15.726 -29.882 1.00 32.20 O ATOM 1525 CB LEU A 99 5.223 17.018 -27.108 1.00 44.51 C ATOM 1526 CG LEU A 99 4.331 17.972 -26.313 1.00 34.20 C ATOM 1527 CD1 LEU A 99 4.984 18.335 -24.989 1.00 1.42 C ATOM 1528 CD2 LEU A 99 4.032 19.224 -27.124 1.00 41.21 C ATOM 0 H LEU A 99 6.405 14.871 -26.833 1.00 70.22 H new ATOM 0 HA LEU A 99 3.722 15.496 -26.878 1.00 4.22 H new ATOM 0 HB2 LEU A 99 6.117 16.813 -26.519 1.00 44.51 H new ATOM 0 HB3 LEU A 99 5.549 17.528 -28.014 1.00 44.51 H new ATOM 0 HG LEU A 99 3.388 17.467 -26.103 1.00 34.20 H new ATOM 0 HD11 LEU A 99 4.335 19.015 -24.437 1.00 1.42 H new ATOM 0 HD12 LEU A 99 5.145 17.430 -24.403 1.00 1.42 H new ATOM 0 HD13 LEU A 99 5.942 18.821 -25.177 1.00 1.42 H new ATOM 0 HD21 LEU A 99 3.396 19.891 -26.542 1.00 41.21 H new ATOM 0 HD22 LEU A 99 4.965 19.732 -27.366 1.00 41.21 H new ATOM 0 HD23 LEU A 99 3.520 18.947 -28.046 1.00 41.21 H new