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 61 TYR OH : rot 150:sc= -0.0169 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 171:sc= 0.512 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 30 THR OG1 : rot 3:sc= -0.0148 USER MOD Single : A 33 MET CE :methyl -125:sc= -3.92! (180deg=-6.64!) USER MOD Single : A 36 THR OG1 : rot -130:sc= -0.115 USER MOD Single : A 38 SER OG : rot -3:sc= 0.568! USER MOD Single : A 39 ASN : amide:sc= -2.88 K(o=-2.9,f=-4.5!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) 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= -2.41 K(o=-2.4,f=-4.5!) USER MOD Single : A 65 ASN : amide:sc= -0.0107 K(o=-0.011,f=-2.2!) USER MOD Single : A 73 SER OG : rot -170:sc= -0.45 USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= -0.124 (180deg=-0.695) USER MOD Single : A 89 ASN : amide:sc= -3.54 K(o=-3.5,f=-5.8!) 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 -12.893 3.901 -16.420 1.00 70.11 N ATOM 360 CA PHE A 22 -13.437 4.290 -17.716 1.00 14.13 C ATOM 361 C PHE A 22 -12.401 4.102 -18.820 1.00 31.12 C ATOM 362 O PHE A 22 -12.710 3.590 -19.896 1.00 72.55 O ATOM 363 CB PHE A 22 -13.902 5.747 -17.680 1.00 55.43 C ATOM 364 CG PHE A 22 -14.297 6.283 -19.027 1.00 15.54 C ATOM 365 CD1 PHE A 22 -15.269 5.648 -19.782 1.00 75.21 C ATOM 366 CD2 PHE A 22 -13.696 7.423 -19.537 1.00 32.21 C ATOM 367 CE1 PHE A 22 -15.636 6.139 -21.021 1.00 64.33 C ATOM 368 CE2 PHE A 22 -14.058 7.918 -20.775 1.00 55.51 C ATOM 369 CZ PHE A 22 -15.028 7.275 -21.519 1.00 14.02 C ATOM 0 HA PHE A 22 -14.291 3.648 -17.931 1.00 14.13 H new ATOM 0 HB2 PHE A 22 -14.750 5.833 -17.001 1.00 55.43 H new ATOM 0 HB3 PHE A 22 -13.103 6.365 -17.272 1.00 55.43 H new ATOM 0 HD1 PHE A 22 -15.746 4.758 -19.398 1.00 75.21 H new ATOM 0 HD2 PHE A 22 -12.936 7.930 -18.960 1.00 32.21 H new ATOM 0 HE1 PHE A 22 -16.397 5.635 -21.599 1.00 64.33 H new ATOM 0 HE2 PHE A 22 -13.583 8.808 -21.161 1.00 55.51 H new ATOM 0 HZ PHE A 22 -15.310 7.660 -22.488 1.00 14.02 H new ATOM 379 N LEU A 23 -11.171 4.520 -18.545 1.00 44.23 N ATOM 380 CA LEU A 23 -10.087 4.399 -19.515 1.00 31.14 C ATOM 381 C LEU A 23 -9.519 2.984 -19.521 1.00 65.54 C ATOM 382 O LEU A 23 -8.931 2.546 -20.510 1.00 30.31 O ATOM 383 CB LEU A 23 -8.979 5.405 -19.199 1.00 24.54 C ATOM 384 CG LEU A 23 -9.384 6.879 -19.218 1.00 72.33 C ATOM 385 CD1 LEU A 23 -10.290 7.167 -20.406 1.00 4.44 C ATOM 386 CD2 LEU A 23 -10.072 7.260 -17.916 1.00 11.15 C ATOM 0 H LEU A 23 -10.899 4.946 -17.659 1.00 44.23 H new ATOM 0 HA LEU A 23 -10.491 4.613 -20.504 1.00 31.14 H new ATOM 0 HB2 LEU A 23 -8.575 5.173 -18.213 1.00 24.54 H new ATOM 0 HB3 LEU A 23 -8.171 5.262 -19.916 1.00 24.54 H new ATOM 0 HG LEU A 23 -8.482 7.483 -19.319 1.00 72.33 H new ATOM 0 HD11 LEU A 23 -10.569 8.221 -20.404 1.00 4.44 H new ATOM 0 HD12 LEU A 23 -9.763 6.933 -21.331 1.00 4.44 H new ATOM 0 HD13 LEU A 23 -11.189 6.554 -20.335 1.00 4.44 H new ATOM 0 HD21 LEU A 23 -10.353 8.313 -17.948 1.00 11.15 H new ATOM 0 HD22 LEU A 23 -10.965 6.650 -17.784 1.00 11.15 H new ATOM 0 HD23 LEU A 23 -9.391 7.091 -17.082 1.00 11.15 H new ATOM 398 N GLU A 24 -9.700 2.273 -18.412 1.00 43.14 N ATOM 399 CA GLU A 24 -9.205 0.906 -18.292 1.00 54.53 C ATOM 400 C GLU A 24 -10.019 -0.045 -19.165 1.00 42.01 C ATOM 401 O GLU A 24 -9.653 -1.205 -19.346 1.00 25.42 O ATOM 402 CB GLU A 24 -9.257 0.448 -16.833 1.00 55.14 C ATOM 403 CG GLU A 24 -8.056 0.888 -16.014 1.00 63.51 C ATOM 404 CD GLU A 24 -8.089 0.351 -14.596 1.00 44.11 C ATOM 405 OE1 GLU A 24 -9.080 -0.318 -14.237 1.00 41.21 O ATOM 406 OE2 GLU A 24 -7.122 0.600 -13.846 1.00 1.44 O ATOM 0 H GLU A 24 -10.185 2.620 -17.585 1.00 43.14 H new ATOM 0 HA GLU A 24 -8.170 0.889 -18.634 1.00 54.53 H new ATOM 0 HB2 GLU A 24 -10.164 0.838 -16.371 1.00 55.14 H new ATOM 0 HB3 GLU A 24 -9.327 -0.639 -16.805 1.00 55.14 H new ATOM 0 HG2 GLU A 24 -7.143 0.551 -16.505 1.00 63.51 H new ATOM 0 HG3 GLU A 24 -8.020 1.977 -15.985 1.00 63.51 H new ATOM 413 N GLY A 25 -11.126 0.456 -19.704 1.00 53.20 N ATOM 414 CA GLY A 25 -11.975 -0.362 -20.551 1.00 11.34 C ATOM 415 C GLY A 25 -11.550 -0.326 -22.005 1.00 50.02 C ATOM 416 O GLY A 25 -12.073 -1.074 -22.831 1.00 32.50 O ATOM 0 H GLY A 25 -11.450 1.414 -19.569 1.00 53.20 H new ATOM 0 HA2 GLY A 25 -11.954 -1.392 -20.195 1.00 11.34 H new ATOM 0 HA3 GLY A 25 -13.006 -0.017 -20.468 1.00 11.34 H new ATOM 420 N PHE A 26 -10.599 0.547 -22.321 1.00 14.31 N ATOM 421 CA PHE A 26 -10.106 0.680 -23.687 1.00 31.22 C ATOM 422 C PHE A 26 -8.697 0.108 -23.814 1.00 0.31 C ATOM 423 O PHE A 26 -8.172 -0.490 -22.876 1.00 63.23 O ATOM 424 CB PHE A 26 -10.113 2.149 -24.114 1.00 12.12 C ATOM 425 CG PHE A 26 -11.465 2.797 -24.011 1.00 65.43 C ATOM 426 CD1 PHE A 26 -12.358 2.736 -25.068 1.00 54.02 C ATOM 427 CD2 PHE A 26 -11.841 3.466 -22.858 1.00 44.52 C ATOM 428 CE1 PHE A 26 -13.603 3.331 -24.977 1.00 61.51 C ATOM 429 CE2 PHE A 26 -13.084 4.062 -22.761 1.00 42.51 C ATOM 430 CZ PHE A 26 -13.966 3.995 -23.822 1.00 44.52 C ATOM 0 H PHE A 26 -10.154 1.173 -21.650 1.00 14.31 H new ATOM 0 HA PHE A 26 -10.769 0.116 -24.343 1.00 31.22 H new ATOM 0 HB2 PHE A 26 -9.406 2.702 -23.496 1.00 12.12 H new ATOM 0 HB3 PHE A 26 -9.762 2.222 -25.143 1.00 12.12 H new ATOM 0 HD1 PHE A 26 -12.079 2.218 -25.974 1.00 54.02 H new ATOM 0 HD2 PHE A 26 -11.155 3.522 -22.026 1.00 44.52 H new ATOM 0 HE1 PHE A 26 -14.290 3.276 -25.808 1.00 61.51 H new ATOM 0 HE2 PHE A 26 -13.366 4.580 -21.856 1.00 42.51 H new ATOM 0 HZ PHE A 26 -14.938 4.461 -23.748 1.00 44.52 H new ATOM 440 N ASN A 27 -8.091 0.298 -24.982 1.00 33.42 N ATOM 441 CA ASN A 27 -6.744 -0.200 -25.233 1.00 45.32 C ATOM 442 C ASN A 27 -5.696 0.781 -24.714 1.00 33.54 C ATOM 443 O ASN A 27 -5.915 1.992 -24.708 1.00 3.41 O ATOM 444 CB ASN A 27 -6.537 -0.438 -26.730 1.00 64.33 C ATOM 445 CG ASN A 27 -6.886 -1.855 -27.144 1.00 22.14 C ATOM 446 OD1 ASN A 27 -7.863 -2.082 -27.857 1.00 62.42 O ATOM 447 ND2 ASN A 27 -6.086 -2.816 -26.695 1.00 53.03 N ATOM 0 H ASN A 27 -8.511 0.793 -25.769 1.00 33.42 H new ATOM 0 HA ASN A 27 -6.628 -1.144 -24.701 1.00 45.32 H new ATOM 0 HB2 ASN A 27 -7.150 0.264 -27.295 1.00 64.33 H new ATOM 0 HB3 ASN A 27 -5.498 -0.233 -26.988 1.00 64.33 H new ATOM 0 HD21 ASN A 27 -6.271 -3.789 -26.939 1.00 53.03 H new ATOM 0 HD22 ASN A 27 -5.287 -2.581 -26.106 1.00 53.03 H new ATOM 454 N ILE A 28 -4.559 0.248 -24.279 1.00 34.33 N ATOM 455 CA ILE A 28 -3.478 1.075 -23.759 1.00 50.41 C ATOM 456 C ILE A 28 -2.644 1.665 -24.891 1.00 53.15 C ATOM 457 O ILE A 28 -2.044 2.729 -24.744 1.00 24.25 O ATOM 458 CB ILE A 28 -2.556 0.273 -22.822 1.00 0.54 C ATOM 459 CG1 ILE A 28 -1.512 1.195 -22.187 1.00 31.41 C ATOM 460 CG2 ILE A 28 -1.880 -0.857 -23.583 1.00 41.33 C ATOM 461 CD1 ILE A 28 -2.114 2.327 -21.384 1.00 64.21 C ATOM 0 H ILE A 28 -4.363 -0.753 -24.277 1.00 34.33 H new ATOM 0 HA ILE A 28 -3.943 1.883 -23.194 1.00 50.41 H new ATOM 0 HB ILE A 28 -3.161 -0.163 -22.027 1.00 0.54 H new ATOM 0 HG12 ILE A 28 -0.864 0.605 -21.539 1.00 31.41 H new ATOM 0 HG13 ILE A 28 -0.882 1.612 -22.972 1.00 31.41 H new ATOM 0 HG21 ILE A 28 -1.232 -1.414 -22.907 1.00 41.33 H new ATOM 0 HG22 ILE A 28 -2.638 -1.525 -23.992 1.00 41.33 H new ATOM 0 HG23 ILE A 28 -1.285 -0.443 -24.397 1.00 41.33 H new ATOM 0 HD11 ILE A 28 -1.316 2.939 -20.964 1.00 64.21 H new ATOM 0 HD12 ILE A 28 -2.739 2.941 -22.032 1.00 64.21 H new ATOM 0 HD13 ILE A 28 -2.721 1.918 -20.577 1.00 64.21 H new ATOM 473 N GLU A 29 -2.614 0.967 -26.023 1.00 13.34 N ATOM 474 CA GLU A 29 -1.855 1.423 -27.181 1.00 2.22 C ATOM 475 C GLU A 29 -2.632 2.482 -27.959 1.00 24.44 C ATOM 476 O GLU A 29 -2.045 3.363 -28.587 1.00 3.32 O ATOM 477 CB GLU A 29 -1.522 0.244 -28.097 1.00 24.44 C ATOM 478 CG GLU A 29 -2.733 -0.338 -28.806 1.00 13.52 C ATOM 479 CD GLU A 29 -2.359 -1.387 -29.835 1.00 14.15 C ATOM 480 OE1 GLU A 29 -2.025 -1.005 -30.976 1.00 31.32 O ATOM 481 OE2 GLU A 29 -2.401 -2.589 -29.499 1.00 52.10 O ATOM 0 H GLU A 29 -3.106 0.085 -26.162 1.00 13.34 H new ATOM 0 HA GLU A 29 -0.927 1.868 -26.822 1.00 2.22 H new ATOM 0 HB2 GLU A 29 -0.796 0.568 -28.843 1.00 24.44 H new ATOM 0 HB3 GLU A 29 -1.045 -0.539 -27.508 1.00 24.44 H new ATOM 0 HG2 GLU A 29 -3.403 -0.780 -28.069 1.00 13.52 H new ATOM 0 HG3 GLU A 29 -3.284 0.465 -29.295 1.00 13.52 H new ATOM 488 N THR A 30 -3.957 2.387 -27.913 1.00 10.54 N ATOM 489 CA THR A 30 -4.815 3.334 -28.613 1.00 52.23 C ATOM 490 C THR A 30 -4.622 4.750 -28.081 1.00 33.50 C ATOM 491 O THR A 30 -4.916 5.728 -28.769 1.00 21.33 O ATOM 492 CB THR A 30 -6.301 2.948 -28.485 1.00 23.43 C ATOM 493 OG1 THR A 30 -6.618 2.668 -27.117 1.00 4.45 O ATOM 494 CG2 THR A 30 -6.620 1.733 -29.343 1.00 21.44 C ATOM 0 H THR A 30 -4.459 1.664 -27.398 1.00 10.54 H new ATOM 0 HA THR A 30 -4.528 3.302 -29.664 1.00 52.23 H new ATOM 0 HB THR A 30 -6.903 3.787 -28.833 1.00 23.43 H new ATOM 0 HG1 THR A 30 -5.827 2.825 -26.559 1.00 4.45 H new ATOM 0 HG21 THR A 30 -7.675 1.479 -29.236 1.00 21.44 H new ATOM 0 HG22 THR A 30 -6.405 1.959 -30.387 1.00 21.44 H new ATOM 0 HG23 THR A 30 -6.009 0.890 -29.021 1.00 21.44 H new ATOM 502 N PHE A 31 -4.126 4.852 -26.852 1.00 53.13 N ATOM 503 CA PHE A 31 -3.894 6.149 -26.227 1.00 53.04 C ATOM 504 C PHE A 31 -2.733 6.876 -26.898 1.00 44.04 C ATOM 505 O PHE A 31 -2.000 6.292 -27.696 1.00 50.23 O ATOM 506 CB PHE A 31 -3.608 5.975 -24.734 1.00 41.54 C ATOM 507 CG PHE A 31 -4.720 5.298 -23.986 1.00 24.44 C ATOM 508 CD1 PHE A 31 -6.043 5.544 -24.312 1.00 14.13 C ATOM 509 CD2 PHE A 31 -4.441 4.414 -22.955 1.00 44.22 C ATOM 510 CE1 PHE A 31 -7.069 4.922 -23.625 1.00 22.31 C ATOM 511 CE2 PHE A 31 -5.462 3.789 -22.265 1.00 63.53 C ATOM 512 CZ PHE A 31 -6.777 4.043 -22.600 1.00 14.54 C ATOM 0 H PHE A 31 -3.877 4.052 -26.270 1.00 53.13 H new ATOM 0 HA PHE A 31 -4.795 6.750 -26.350 1.00 53.04 H new ATOM 0 HB2 PHE A 31 -2.693 5.395 -24.613 1.00 41.54 H new ATOM 0 HB3 PHE A 31 -3.426 6.954 -24.291 1.00 41.54 H new ATOM 0 HD1 PHE A 31 -6.276 6.230 -25.113 1.00 14.13 H new ATOM 0 HD2 PHE A 31 -3.414 4.212 -22.688 1.00 44.22 H new ATOM 0 HE1 PHE A 31 -8.097 5.123 -23.889 1.00 22.31 H new ATOM 0 HE2 PHE A 31 -5.231 3.102 -21.464 1.00 63.53 H new ATOM 0 HZ PHE A 31 -7.576 3.555 -22.062 1.00 14.54 H new ATOM 522 N GLU A 32 -2.572 8.154 -26.569 1.00 31.25 N ATOM 523 CA GLU A 32 -1.501 8.961 -27.140 1.00 63.13 C ATOM 524 C GLU A 32 -1.070 10.059 -26.172 1.00 35.12 C ATOM 525 O GLU A 32 -1.849 10.956 -25.849 1.00 23.24 O ATOM 526 CB GLU A 32 -1.951 9.581 -28.465 1.00 3.44 C ATOM 527 CG GLU A 32 -3.215 10.416 -28.347 1.00 73.43 C ATOM 528 CD GLU A 32 -3.886 10.650 -29.687 1.00 30.21 C ATOM 529 OE1 GLU A 32 -3.259 10.350 -30.724 1.00 64.33 O ATOM 530 OE2 GLU A 32 -5.037 11.133 -29.698 1.00 53.13 O ATOM 0 H GLU A 32 -3.170 8.652 -25.910 1.00 31.25 H new ATOM 0 HA GLU A 32 -0.648 8.308 -27.323 1.00 63.13 H new ATOM 0 HB2 GLU A 32 -1.148 10.206 -28.856 1.00 3.44 H new ATOM 0 HB3 GLU A 32 -2.118 8.785 -29.191 1.00 3.44 H new ATOM 0 HG2 GLU A 32 -3.915 9.917 -27.677 1.00 73.43 H new ATOM 0 HG3 GLU A 32 -2.970 11.377 -27.894 1.00 73.43 H new ATOM 537 N MET A 33 0.174 9.980 -25.712 1.00 41.03 N ATOM 538 CA MET A 33 0.708 10.967 -24.781 1.00 45.02 C ATOM 539 C MET A 33 0.497 12.383 -25.309 1.00 65.51 C ATOM 540 O MET A 33 0.897 12.704 -26.428 1.00 41.42 O ATOM 541 CB MET A 33 2.198 10.717 -24.539 1.00 43.23 C ATOM 542 CG MET A 33 2.857 11.771 -23.664 1.00 32.24 C ATOM 543 SD MET A 33 4.562 11.360 -23.246 1.00 43.35 S ATOM 544 CE MET A 33 4.840 12.446 -21.849 1.00 72.02 C ATOM 0 H MET A 33 0.831 9.243 -25.969 1.00 41.03 H new ATOM 0 HA MET A 33 0.172 10.867 -23.837 1.00 45.02 H new ATOM 0 HB2 MET A 33 2.323 9.740 -24.073 1.00 43.23 H new ATOM 0 HB3 MET A 33 2.712 10.680 -25.499 1.00 43.23 H new ATOM 0 HG2 MET A 33 2.835 12.731 -24.179 1.00 32.24 H new ATOM 0 HG3 MET A 33 2.280 11.888 -22.747 1.00 32.24 H new ATOM 0 HE1 MET A 33 5.719 13.062 -22.037 1.00 72.02 H new ATOM 0 HE2 MET A 33 3.970 13.088 -21.708 1.00 72.02 H new ATOM 0 HE3 MET A 33 5.000 11.850 -20.951 1.00 72.02 H new ATOM 554 N VAL A 34 -0.133 13.225 -24.497 1.00 32.44 N ATOM 555 CA VAL A 34 -0.396 14.606 -24.882 1.00 35.11 C ATOM 556 C VAL A 34 0.542 15.566 -24.160 1.00 1.21 C ATOM 557 O VAL A 34 0.823 16.660 -24.647 1.00 54.51 O ATOM 558 CB VAL A 34 -1.853 15.005 -24.580 1.00 32.01 C ATOM 559 CG1 VAL A 34 -2.171 14.793 -23.108 1.00 21.34 C ATOM 560 CG2 VAL A 34 -2.104 16.450 -24.985 1.00 74.52 C ATOM 0 H VAL A 34 -0.471 12.975 -23.568 1.00 32.44 H new ATOM 0 HA VAL A 34 -0.224 14.673 -25.956 1.00 35.11 H new ATOM 0 HB VAL A 34 -2.515 14.367 -25.165 1.00 32.01 H new ATOM 0 HG11 VAL A 34 -3.204 15.080 -22.914 1.00 21.34 H new ATOM 0 HG12 VAL A 34 -2.033 13.742 -22.854 1.00 21.34 H new ATOM 0 HG13 VAL A 34 -1.504 15.404 -22.500 1.00 21.34 H new ATOM 0 HG21 VAL A 34 -3.138 16.715 -24.765 1.00 74.52 H new ATOM 0 HG22 VAL A 34 -1.435 17.106 -24.428 1.00 74.52 H new ATOM 0 HG23 VAL A 34 -1.919 16.566 -26.053 1.00 74.52 H new ATOM 570 N GLY A 35 1.026 15.148 -22.994 1.00 13.10 N ATOM 571 CA GLY A 35 1.928 15.983 -22.223 1.00 64.11 C ATOM 572 C GLY A 35 2.177 15.437 -20.831 1.00 60.42 C ATOM 573 O GLY A 35 1.726 14.341 -20.496 1.00 23.42 O ATOM 0 H GLY A 35 0.809 14.246 -22.570 1.00 13.10 H new ATOM 0 HA2 GLY A 35 2.878 16.070 -22.751 1.00 64.11 H new ATOM 0 HA3 GLY A 35 1.512 16.988 -22.147 1.00 64.11 H new ATOM 577 N THR A 36 2.899 16.201 -20.017 1.00 75.11 N ATOM 578 CA THR A 36 3.209 15.786 -18.655 1.00 2.31 C ATOM 579 C THR A 36 3.290 16.987 -17.720 1.00 11.35 C ATOM 580 O THR A 36 3.558 18.108 -18.154 1.00 4.35 O ATOM 581 CB THR A 36 4.539 15.011 -18.593 1.00 10.40 C ATOM 582 OG1 THR A 36 5.415 15.457 -19.635 1.00 35.12 O ATOM 583 CG2 THR A 36 4.300 13.515 -18.729 1.00 43.24 C ATOM 0 H THR A 36 3.280 17.111 -20.278 1.00 75.11 H new ATOM 0 HA THR A 36 2.400 15.131 -18.332 1.00 2.31 H new ATOM 0 HB THR A 36 5.001 15.202 -17.624 1.00 10.40 H new ATOM 0 HG1 THR A 36 5.764 14.682 -20.123 1.00 35.12 H new ATOM 0 HG21 THR A 36 5.253 12.989 -18.682 1.00 43.24 H new ATOM 0 HG22 THR A 36 3.657 13.174 -17.918 1.00 43.24 H new ATOM 0 HG23 THR A 36 3.818 13.309 -19.685 1.00 43.24 H new ATOM 591 N LEU A 37 3.057 16.747 -16.434 1.00 72.40 N ATOM 592 CA LEU A 37 3.104 17.809 -15.436 1.00 1.42 C ATOM 593 C LEU A 37 4.136 17.497 -14.357 1.00 1.52 C ATOM 594 O LEU A 37 4.274 16.352 -13.928 1.00 72.21 O ATOM 595 CB LEU A 37 1.726 18.000 -14.800 1.00 1.32 C ATOM 596 CG LEU A 37 1.564 19.229 -13.905 1.00 5.44 C ATOM 597 CD1 LEU A 37 2.200 18.987 -12.545 1.00 22.54 C ATOM 598 CD2 LEU A 37 2.173 20.456 -14.568 1.00 53.23 C ATOM 0 H LEU A 37 2.834 15.825 -16.058 1.00 72.40 H new ATOM 0 HA LEU A 37 3.397 18.732 -15.937 1.00 1.42 H new ATOM 0 HB2 LEU A 37 0.985 18.056 -15.597 1.00 1.32 H new ATOM 0 HB3 LEU A 37 1.494 17.113 -14.210 1.00 1.32 H new ATOM 0 HG LEU A 37 0.499 19.410 -13.759 1.00 5.44 H new ATOM 0 HD11 LEU A 37 2.075 19.873 -11.922 1.00 22.54 H new ATOM 0 HD12 LEU A 37 1.719 18.135 -12.065 1.00 22.54 H new ATOM 0 HD13 LEU A 37 3.263 18.780 -12.672 1.00 22.54 H new ATOM 0 HD21 LEU A 37 2.048 21.321 -13.917 1.00 53.23 H new ATOM 0 HD22 LEU A 37 3.235 20.285 -14.745 1.00 53.23 H new ATOM 0 HD23 LEU A 37 1.673 20.642 -15.518 1.00 53.23 H new ATOM 610 N SER A 38 4.858 18.525 -13.920 1.00 74.04 N ATOM 611 CA SER A 38 5.878 18.360 -12.892 1.00 43.41 C ATOM 612 C SER A 38 5.897 19.559 -11.949 1.00 4.41 C ATOM 613 O SER A 38 6.107 20.694 -12.374 1.00 44.35 O ATOM 614 CB SER A 38 7.255 18.180 -13.534 1.00 41.55 C ATOM 615 OG SER A 38 7.845 19.433 -13.836 1.00 52.32 O ATOM 0 H SER A 38 4.755 19.480 -14.262 1.00 74.04 H new ATOM 0 HA SER A 38 5.635 17.468 -12.314 1.00 43.41 H new ATOM 0 HB2 SER A 38 7.904 17.622 -12.859 1.00 41.55 H new ATOM 0 HB3 SER A 38 7.160 17.590 -14.446 1.00 41.55 H new ATOM 0 HG SER A 38 7.216 20.152 -13.618 1.00 52.32 H new ATOM 621 N ASN A 39 5.676 19.298 -10.665 1.00 23.43 N ATOM 622 CA ASN A 39 5.667 20.354 -9.660 1.00 2.52 C ATOM 623 C ASN A 39 5.927 19.784 -8.269 1.00 14.55 C ATOM 624 O ASN A 39 6.272 18.613 -8.121 1.00 61.43 O ATOM 625 CB ASN A 39 4.328 21.093 -9.679 1.00 14.42 C ATOM 626 CG ASN A 39 3.212 20.284 -9.046 1.00 51.20 C ATOM 627 OD1 ASN A 39 2.535 20.750 -8.129 1.00 25.11 O ATOM 628 ND2 ASN A 39 3.015 19.065 -9.534 1.00 41.14 N ATOM 0 H ASN A 39 5.501 18.363 -10.296 1.00 23.43 H new ATOM 0 HA ASN A 39 6.465 21.056 -9.900 1.00 2.52 H new ATOM 0 HB2 ASN A 39 4.431 22.040 -9.150 1.00 14.42 H new ATOM 0 HB3 ASN A 39 4.062 21.331 -10.709 1.00 14.42 H new ATOM 0 HD21 ASN A 39 2.279 18.474 -9.148 1.00 41.14 H new ATOM 0 HD22 ASN A 39 3.600 18.719 -10.295 1.00 41.14 H new ATOM 635 N ALA A 40 5.757 20.622 -7.251 1.00 13.12 N ATOM 636 CA ALA A 40 5.970 20.201 -5.872 1.00 13.45 C ATOM 637 C ALA A 40 5.191 18.928 -5.559 1.00 53.15 C ATOM 638 O ALA A 40 5.652 18.080 -4.796 1.00 73.24 O ATOM 639 CB ALA A 40 5.572 21.314 -4.913 1.00 51.10 C ATOM 0 H ALA A 40 5.473 21.596 -7.356 1.00 13.12 H new ATOM 0 HA ALA A 40 7.031 19.987 -5.744 1.00 13.45 H new ATOM 0 HB1 ALA A 40 5.736 20.986 -3.887 1.00 51.10 H new ATOM 0 HB2 ALA A 40 6.176 22.199 -5.112 1.00 51.10 H new ATOM 0 HB3 ALA A 40 4.518 21.555 -5.053 1.00 51.10 H new ATOM 645 N GLN A 41 4.009 18.802 -6.154 1.00 14.41 N ATOM 646 CA GLN A 41 3.166 17.632 -5.937 1.00 52.52 C ATOM 647 C GLN A 41 3.852 16.366 -6.439 1.00 5.43 C ATOM 648 O GLN A 41 3.695 15.292 -5.860 1.00 41.13 O ATOM 649 CB GLN A 41 1.820 17.810 -6.642 1.00 34.04 C ATOM 650 CG GLN A 41 0.644 17.934 -5.686 1.00 4.55 C ATOM 651 CD GLN A 41 -0.694 17.892 -6.397 1.00 3.12 C ATOM 652 OE1 GLN A 41 -1.457 16.937 -6.252 1.00 62.40 O ATOM 653 NE2 GLN A 41 -0.986 18.930 -7.171 1.00 41.52 N ATOM 0 H GLN A 41 3.614 19.495 -6.789 1.00 14.41 H new ATOM 0 HA GLN A 41 2.997 17.531 -4.865 1.00 52.52 H new ATOM 0 HB2 GLN A 41 1.863 18.700 -7.269 1.00 34.04 H new ATOM 0 HB3 GLN A 41 1.651 16.961 -7.304 1.00 34.04 H new ATOM 0 HG2 GLN A 41 0.688 17.126 -4.955 1.00 4.55 H new ATOM 0 HG3 GLN A 41 0.728 18.869 -5.133 1.00 4.55 H new ATOM 0 HE21 GLN A 41 -0.324 19.700 -7.262 1.00 41.52 H new ATOM 0 HE22 GLN A 41 -1.873 18.957 -7.674 1.00 41.52 H new ATOM 662 N GLY A 42 4.615 16.501 -7.520 1.00 20.03 N ATOM 663 CA GLY A 42 5.314 15.360 -8.081 1.00 71.22 C ATOM 664 C GLY A 42 5.303 15.362 -9.597 1.00 63.10 C ATOM 665 O GLY A 42 5.156 16.412 -10.224 1.00 23.14 O ATOM 0 H GLY A 42 4.761 17.380 -8.017 1.00 20.03 H new ATOM 0 HA2 GLY A 42 6.345 15.360 -7.728 1.00 71.22 H new ATOM 0 HA3 GLY A 42 4.853 14.441 -7.718 1.00 71.22 H new ATOM 669 N THR A 43 5.461 14.183 -10.190 1.00 64.41 N ATOM 670 CA THR A 43 5.472 14.052 -11.642 1.00 4.43 C ATOM 671 C THR A 43 4.251 13.284 -12.134 1.00 42.31 C ATOM 672 O THR A 43 4.088 12.101 -11.836 1.00 13.14 O ATOM 673 CB THR A 43 6.746 13.338 -12.132 1.00 41.30 C ATOM 674 OG1 THR A 43 7.826 13.586 -11.225 1.00 63.33 O ATOM 675 CG2 THR A 43 7.129 13.811 -13.526 1.00 40.42 C ATOM 0 H THR A 43 5.583 13.304 -9.687 1.00 64.41 H new ATOM 0 HA THR A 43 5.451 15.062 -12.051 1.00 4.43 H new ATOM 0 HB THR A 43 6.544 12.268 -12.172 1.00 41.30 H new ATOM 0 HG1 THR A 43 8.632 13.127 -11.543 1.00 63.33 H new ATOM 0 HG21 THR A 43 8.031 13.293 -13.851 1.00 40.42 H new ATOM 0 HG22 THR A 43 6.317 13.594 -14.220 1.00 40.42 H new ATOM 0 HG23 THR A 43 7.314 14.885 -13.508 1.00 40.42 H new ATOM 683 N PHE A 44 3.396 13.964 -12.891 1.00 10.03 N ATOM 684 CA PHE A 44 2.189 13.345 -13.425 1.00 35.12 C ATOM 685 C PHE A 44 2.277 13.199 -14.941 1.00 50.52 C ATOM 686 O PHE A 44 3.009 13.933 -15.604 1.00 42.41 O ATOM 687 CB PHE A 44 0.957 14.173 -13.052 1.00 3.05 C ATOM 688 CG PHE A 44 0.844 14.449 -11.579 1.00 61.24 C ATOM 689 CD1 PHE A 44 1.562 15.481 -10.997 1.00 63.13 C ATOM 690 CD2 PHE A 44 0.019 13.676 -10.778 1.00 2.32 C ATOM 691 CE1 PHE A 44 1.461 15.736 -9.643 1.00 15.12 C ATOM 692 CE2 PHE A 44 -0.087 13.927 -9.423 1.00 1.23 C ATOM 693 CZ PHE A 44 0.634 14.959 -8.855 1.00 0.22 C ATOM 0 H PHE A 44 3.517 14.944 -13.148 1.00 10.03 H new ATOM 0 HA PHE A 44 2.097 12.351 -12.987 1.00 35.12 H new ATOM 0 HB2 PHE A 44 0.989 15.121 -13.590 1.00 3.05 H new ATOM 0 HB3 PHE A 44 0.062 13.648 -13.385 1.00 3.05 H new ATOM 0 HD1 PHE A 44 2.208 16.093 -11.609 1.00 63.13 H new ATOM 0 HD2 PHE A 44 -0.548 12.868 -11.217 1.00 2.32 H new ATOM 0 HE1 PHE A 44 2.028 16.542 -9.201 1.00 15.12 H new ATOM 0 HE2 PHE A 44 -0.733 13.317 -8.809 1.00 1.23 H new ATOM 0 HZ PHE A 44 0.551 15.158 -7.797 1.00 0.22 H new ATOM 703 N ALA A 45 1.526 12.246 -15.483 1.00 53.40 N ATOM 704 CA ALA A 45 1.517 12.005 -16.920 1.00 65.14 C ATOM 705 C ALA A 45 0.156 12.331 -17.524 1.00 52.32 C ATOM 706 O ALA A 45 -0.883 11.949 -16.983 1.00 4.31 O ATOM 707 CB ALA A 45 1.895 10.561 -17.215 1.00 61.31 C ATOM 0 H ALA A 45 0.916 11.628 -14.948 1.00 53.40 H new ATOM 0 HA ALA A 45 2.255 12.664 -17.378 1.00 65.14 H new ATOM 0 HB1 ALA A 45 1.884 10.395 -18.292 1.00 61.31 H new ATOM 0 HB2 ALA A 45 2.893 10.360 -16.827 1.00 61.31 H new ATOM 0 HB3 ALA A 45 1.178 9.893 -16.738 1.00 61.31 H new ATOM 713 N LEU A 46 0.167 13.040 -18.648 1.00 14.34 N ATOM 714 CA LEU A 46 -1.068 13.419 -19.325 1.00 55.12 C ATOM 715 C LEU A 46 -1.178 12.732 -20.683 1.00 22.15 C ATOM 716 O LEU A 46 -0.422 13.034 -21.606 1.00 1.30 O ATOM 717 CB LEU A 46 -1.131 14.937 -19.503 1.00 1.21 C ATOM 718 CG LEU A 46 -0.584 15.772 -18.344 1.00 62.42 C ATOM 719 CD1 LEU A 46 -0.715 17.256 -18.647 1.00 12.21 C ATOM 720 CD2 LEU A 46 -1.304 15.424 -17.050 1.00 31.43 C ATOM 0 H LEU A 46 1.017 13.364 -19.109 1.00 14.34 H new ATOM 0 HA LEU A 46 -1.905 13.097 -18.706 1.00 55.12 H new ATOM 0 HB2 LEU A 46 -0.580 15.200 -20.406 1.00 1.21 H new ATOM 0 HB3 LEU A 46 -2.170 15.220 -19.670 1.00 1.21 H new ATOM 0 HG LEU A 46 0.474 15.540 -18.221 1.00 62.42 H new ATOM 0 HD11 LEU A 46 -0.321 17.834 -17.811 1.00 12.21 H new ATOM 0 HD12 LEU A 46 -0.153 17.494 -19.550 1.00 12.21 H new ATOM 0 HD13 LEU A 46 -1.765 17.505 -18.797 1.00 12.21 H new ATOM 0 HD21 LEU A 46 -0.902 16.028 -16.236 1.00 31.43 H new ATOM 0 HD22 LEU A 46 -2.369 15.627 -17.160 1.00 31.43 H new ATOM 0 HD23 LEU A 46 -1.157 14.368 -16.825 1.00 31.43 H new ATOM 732 N VAL A 47 -2.125 11.807 -20.797 1.00 73.31 N ATOM 733 CA VAL A 47 -2.336 11.079 -22.043 1.00 33.45 C ATOM 734 C VAL A 47 -3.698 11.404 -22.645 1.00 52.25 C ATOM 735 O VAL A 47 -4.609 11.849 -21.947 1.00 1.43 O ATOM 736 CB VAL A 47 -2.233 9.557 -21.828 1.00 21.14 C ATOM 737 CG1 VAL A 47 -3.445 9.041 -21.067 1.00 53.24 C ATOM 738 CG2 VAL A 47 -2.085 8.840 -23.161 1.00 23.21 C ATOM 0 H VAL A 47 -2.758 11.544 -20.042 1.00 73.31 H new ATOM 0 HA VAL A 47 -1.552 11.396 -22.731 1.00 33.45 H new ATOM 0 HB VAL A 47 -1.345 9.352 -21.230 1.00 21.14 H new ATOM 0 HG11 VAL A 47 -3.354 7.964 -20.925 1.00 53.24 H new ATOM 0 HG12 VAL A 47 -3.501 9.532 -20.095 1.00 53.24 H new ATOM 0 HG13 VAL A 47 -4.350 9.257 -21.635 1.00 53.24 H new ATOM 0 HG21 VAL A 47 -2.014 7.766 -22.990 1.00 23.21 H new ATOM 0 HG22 VAL A 47 -2.953 9.051 -23.786 1.00 23.21 H new ATOM 0 HG23 VAL A 47 -1.183 9.188 -23.663 1.00 23.21 H new ATOM 748 N LYS A 48 -3.831 11.179 -23.948 1.00 74.11 N ATOM 749 CA LYS A 48 -5.083 11.446 -24.647 1.00 43.13 C ATOM 750 C LYS A 48 -5.662 10.164 -25.236 1.00 22.54 C ATOM 751 O LYS A 48 -4.927 9.307 -25.726 1.00 53.22 O ATOM 752 CB LYS A 48 -4.860 12.475 -25.759 1.00 34.45 C ATOM 753 CG LYS A 48 -6.141 12.907 -26.452 1.00 64.55 C ATOM 754 CD LYS A 48 -5.856 13.537 -27.806 1.00 31.44 C ATOM 755 CE LYS A 48 -7.094 13.543 -28.689 1.00 14.33 C ATOM 756 NZ LYS A 48 -7.093 14.691 -29.638 1.00 2.15 N ATOM 0 H LYS A 48 -3.087 10.812 -24.541 1.00 74.11 H new ATOM 0 HA LYS A 48 -5.795 11.847 -23.925 1.00 43.13 H new ATOM 0 HB2 LYS A 48 -4.371 13.353 -25.338 1.00 34.45 H new ATOM 0 HB3 LYS A 48 -4.179 12.056 -26.500 1.00 34.45 H new ATOM 0 HG2 LYS A 48 -6.795 12.045 -26.581 1.00 64.55 H new ATOM 0 HG3 LYS A 48 -6.674 13.620 -25.823 1.00 64.55 H new ATOM 0 HD2 LYS A 48 -5.503 14.559 -27.666 1.00 31.44 H new ATOM 0 HD3 LYS A 48 -5.056 12.988 -28.303 1.00 31.44 H new ATOM 0 HE2 LYS A 48 -7.145 12.609 -29.249 1.00 14.33 H new ATOM 0 HE3 LYS A 48 -7.986 13.589 -28.064 1.00 14.33 H new ATOM 0 HZ1 LYS A 48 -7.953 14.659 -30.222 1.00 2.15 H new ATOM 0 HZ2 LYS A 48 -7.070 15.583 -29.104 1.00 2.15 H new ATOM 0 HZ3 LYS A 48 -6.256 14.633 -30.252 1.00 2.15 H new ATOM 770 N GLY A 49 -6.985 10.038 -25.184 1.00 44.41 N ATOM 771 CA GLY A 49 -7.639 8.858 -25.717 1.00 34.13 C ATOM 772 C GLY A 49 -9.139 8.876 -25.494 1.00 3.22 C ATOM 773 O GLY A 49 -9.771 9.929 -25.569 1.00 53.03 O ATOM 0 H GLY A 49 -7.615 10.732 -24.782 1.00 44.41 H new ATOM 0 HA2 GLY A 49 -7.434 8.784 -26.785 1.00 34.13 H new ATOM 0 HA3 GLY A 49 -7.216 7.969 -25.249 1.00 34.13 H new ATOM 777 N ALA A 50 -9.709 7.707 -25.220 1.00 41.41 N ATOM 778 CA ALA A 50 -11.143 7.593 -24.985 1.00 40.54 C ATOM 779 C ALA A 50 -11.610 8.602 -23.941 1.00 73.13 C ATOM 780 O ALA A 50 -11.229 8.524 -22.774 1.00 65.04 O ATOM 781 CB ALA A 50 -11.496 6.179 -24.551 1.00 22.34 C ATOM 0 H ALA A 50 -9.200 6.826 -25.155 1.00 41.41 H new ATOM 0 HA ALA A 50 -11.658 7.813 -25.920 1.00 40.54 H new ATOM 0 HB1 ALA A 50 -12.570 6.109 -24.379 1.00 22.34 H new ATOM 0 HB2 ALA A 50 -11.207 5.476 -25.332 1.00 22.34 H new ATOM 0 HB3 ALA A 50 -10.965 5.938 -23.630 1.00 22.34 H new ATOM 787 N GLY A 51 -12.439 9.550 -24.370 1.00 21.44 N ATOM 788 CA GLY A 51 -12.944 10.560 -23.459 1.00 3.51 C ATOM 789 C GLY A 51 -12.281 11.908 -23.664 1.00 1.23 C ATOM 790 O GLY A 51 -12.925 12.949 -23.541 1.00 44.43 O ATOM 0 H GLY A 51 -12.769 9.636 -25.331 1.00 21.44 H new ATOM 0 HA2 GLY A 51 -14.020 10.663 -23.596 1.00 3.51 H new ATOM 0 HA3 GLY A 51 -12.783 10.232 -22.432 1.00 3.51 H new ATOM 794 N GLY A 52 -10.988 11.889 -23.975 1.00 53.30 N ATOM 795 CA GLY A 52 -10.259 13.125 -24.190 1.00 41.31 C ATOM 796 C GLY A 52 -8.880 13.101 -23.562 1.00 4.50 C ATOM 797 O GLY A 52 -7.921 12.624 -24.169 1.00 50.13 O ATOM 0 H GLY A 52 -10.433 11.040 -24.082 1.00 53.30 H new ATOM 0 HA2 GLY A 52 -10.164 13.306 -25.261 1.00 41.31 H new ATOM 0 HA3 GLY A 52 -10.829 13.956 -23.776 1.00 41.31 H new ATOM 801 N VAL A 53 -8.777 13.620 -22.342 1.00 75.50 N ATOM 802 CA VAL A 53 -7.505 13.656 -21.631 1.00 51.42 C ATOM 803 C VAL A 53 -7.585 12.880 -20.322 1.00 25.04 C ATOM 804 O VAL A 53 -8.572 12.972 -19.592 1.00 32.33 O ATOM 805 CB VAL A 53 -7.071 15.104 -21.332 1.00 31.42 C ATOM 806 CG1 VAL A 53 -6.491 15.756 -22.578 1.00 15.04 C ATOM 807 CG2 VAL A 53 -8.243 15.910 -20.794 1.00 12.33 C ATOM 0 H VAL A 53 -9.560 14.021 -21.826 1.00 75.50 H new ATOM 0 HA VAL A 53 -6.765 13.189 -22.281 1.00 51.42 H new ATOM 0 HB VAL A 53 -6.294 15.082 -20.568 1.00 31.42 H new ATOM 0 HG11 VAL A 53 -6.190 16.778 -22.347 1.00 15.04 H new ATOM 0 HG12 VAL A 53 -5.623 15.189 -22.915 1.00 15.04 H new ATOM 0 HG13 VAL A 53 -7.244 15.769 -23.366 1.00 15.04 H new ATOM 0 HG21 VAL A 53 -7.919 16.930 -20.588 1.00 12.33 H new ATOM 0 HG22 VAL A 53 -9.044 15.926 -21.533 1.00 12.33 H new ATOM 0 HG23 VAL A 53 -8.608 15.453 -19.874 1.00 12.33 H new ATOM 817 N HIS A 54 -6.537 12.115 -20.029 1.00 14.21 N ATOM 818 CA HIS A 54 -6.488 11.323 -18.805 1.00 62.44 C ATOM 819 C HIS A 54 -5.221 11.627 -18.012 1.00 1.33 C ATOM 820 O HIS A 54 -4.117 11.609 -18.556 1.00 3.32 O ATOM 821 CB HIS A 54 -6.550 9.831 -19.136 1.00 51.10 C ATOM 822 CG HIS A 54 -7.276 9.530 -20.411 1.00 45.13 C ATOM 823 ND1 HIS A 54 -6.789 8.665 -21.368 1.00 25.51 N ATOM 824 CD2 HIS A 54 -8.460 9.984 -20.884 1.00 63.35 C ATOM 825 CE1 HIS A 54 -7.641 8.600 -22.375 1.00 41.21 C ATOM 826 NE2 HIS A 54 -8.664 9.391 -22.106 1.00 40.13 N ATOM 0 H HIS A 54 -5.712 12.027 -20.622 1.00 14.21 H new ATOM 0 HA HIS A 54 -7.351 11.589 -18.194 1.00 62.44 H new ATOM 0 HB2 HIS A 54 -5.535 9.440 -19.205 1.00 51.10 H new ATOM 0 HB3 HIS A 54 -7.039 9.305 -18.316 1.00 51.10 H new ATOM 0 HD2 HIS A 54 -9.121 10.682 -20.392 1.00 63.35 H new ATOM 0 HE1 HIS A 54 -7.522 8.002 -23.266 1.00 41.21 H new ATOM 0 HE2 HIS A 54 -9.474 9.538 -22.708 1.00 40.13 H new ATOM 834 N ARG A 55 -5.389 11.908 -16.723 1.00 65.55 N ATOM 835 CA ARG A 55 -4.259 12.218 -15.856 1.00 2.21 C ATOM 836 C ARG A 55 -3.930 11.037 -14.948 1.00 22.13 C ATOM 837 O ARG A 55 -4.787 10.550 -14.210 1.00 4.13 O ATOM 838 CB ARG A 55 -4.563 13.456 -15.010 1.00 51.12 C ATOM 839 CG ARG A 55 -4.650 14.740 -15.819 1.00 43.01 C ATOM 840 CD ARG A 55 -4.266 15.952 -14.984 1.00 31.51 C ATOM 841 NE ARG A 55 -3.900 17.095 -15.815 1.00 12.41 N ATOM 842 CZ ARG A 55 -3.621 18.299 -15.327 1.00 22.12 C ATOM 843 NH1 ARG A 55 -3.665 18.514 -14.019 1.00 50.23 N ATOM 844 NH2 ARG A 55 -3.296 19.290 -16.147 1.00 61.12 N ATOM 0 H ARG A 55 -6.296 11.927 -16.257 1.00 65.55 H new ATOM 0 HA ARG A 55 -3.394 12.421 -16.487 1.00 2.21 H new ATOM 0 HB2 ARG A 55 -5.505 13.304 -14.484 1.00 51.12 H new ATOM 0 HB3 ARG A 55 -3.788 13.566 -14.251 1.00 51.12 H new ATOM 0 HG2 ARG A 55 -3.992 14.671 -16.685 1.00 43.01 H new ATOM 0 HG3 ARG A 55 -5.664 14.865 -16.198 1.00 43.01 H new ATOM 0 HD2 ARG A 55 -5.100 16.226 -14.338 1.00 31.51 H new ATOM 0 HD3 ARG A 55 -3.430 15.694 -14.334 1.00 31.51 H new ATOM 0 HE ARG A 55 -3.856 16.962 -16.825 1.00 12.41 H new ATOM 0 HH11 ARG A 55 -3.913 17.754 -13.385 1.00 50.23 H new ATOM 0 HH12 ARG A 55 -3.450 19.439 -13.647 1.00 50.23 H new ATOM 0 HH21 ARG A 55 -3.260 19.128 -17.153 1.00 61.12 H new ATOM 0 HH22 ARG A 55 -3.082 20.214 -15.771 1.00 61.12 H new ATOM 858 N VAL A 56 -2.683 10.580 -15.008 1.00 1.13 N ATOM 859 CA VAL A 56 -2.240 9.457 -14.191 1.00 32.52 C ATOM 860 C VAL A 56 -0.804 9.653 -13.718 1.00 70.35 C ATOM 861 O VAL A 56 0.028 10.201 -14.441 1.00 65.21 O ATOM 862 CB VAL A 56 -2.338 8.128 -14.964 1.00 22.23 C ATOM 863 CG1 VAL A 56 -3.791 7.783 -15.252 1.00 40.10 C ATOM 864 CG2 VAL A 56 -1.533 8.201 -16.252 1.00 41.24 C ATOM 0 H VAL A 56 -1.962 10.971 -15.614 1.00 1.13 H new ATOM 0 HA VAL A 56 -2.901 9.415 -13.325 1.00 32.52 H new ATOM 0 HB VAL A 56 -1.918 7.336 -14.344 1.00 22.23 H new ATOM 0 HG11 VAL A 56 -3.840 6.841 -15.799 1.00 40.10 H new ATOM 0 HG12 VAL A 56 -4.335 7.686 -14.312 1.00 40.10 H new ATOM 0 HG13 VAL A 56 -4.241 8.574 -15.852 1.00 40.10 H new ATOM 0 HG21 VAL A 56 -1.613 7.254 -16.785 1.00 41.24 H new ATOM 0 HG22 VAL A 56 -1.921 9.004 -16.878 1.00 41.24 H new ATOM 0 HG23 VAL A 56 -0.487 8.397 -16.017 1.00 41.24 H new ATOM 874 N ARG A 57 -0.520 9.201 -12.501 1.00 53.02 N ATOM 875 CA ARG A 57 0.816 9.327 -11.932 1.00 13.45 C ATOM 876 C ARG A 57 1.418 7.954 -11.649 1.00 44.40 C ATOM 877 O ARG A 57 0.778 6.926 -11.869 1.00 40.32 O ATOM 878 CB ARG A 57 0.768 10.150 -10.643 1.00 11.23 C ATOM 879 CG ARG A 57 0.021 9.465 -9.510 1.00 41.00 C ATOM 880 CD ARG A 57 -0.288 10.434 -8.380 1.00 0.41 C ATOM 881 NE ARG A 57 -0.668 9.741 -7.152 1.00 74.44 N ATOM 882 CZ ARG A 57 0.208 9.209 -6.307 1.00 15.42 C ATOM 883 NH1 ARG A 57 1.507 9.293 -6.555 1.00 24.55 N ATOM 884 NH2 ARG A 57 -0.216 8.594 -5.210 1.00 73.34 N ATOM 0 H ARG A 57 -1.197 8.744 -11.890 1.00 53.02 H new ATOM 0 HA ARG A 57 1.447 9.838 -12.659 1.00 13.45 H new ATOM 0 HB2 ARG A 57 1.787 10.362 -10.319 1.00 11.23 H new ATOM 0 HB3 ARG A 57 0.294 11.109 -10.852 1.00 11.23 H new ATOM 0 HG2 ARG A 57 -0.908 9.040 -9.890 1.00 41.00 H new ATOM 0 HG3 ARG A 57 0.618 8.637 -9.128 1.00 41.00 H new ATOM 0 HD2 ARG A 57 0.585 11.058 -8.189 1.00 0.41 H new ATOM 0 HD3 ARG A 57 -1.095 11.100 -8.685 1.00 0.41 H new ATOM 0 HE ARG A 57 -1.661 9.661 -6.931 1.00 74.44 H new ATOM 0 HH11 ARG A 57 1.836 9.767 -7.396 1.00 24.55 H new ATOM 0 HH12 ARG A 57 2.178 8.884 -5.905 1.00 24.55 H new ATOM 0 HH21 ARG A 57 -1.215 8.530 -5.015 1.00 73.34 H new ATOM 0 HH22 ARG A 57 0.457 8.186 -4.562 1.00 73.34 H new ATOM 898 N VAL A 58 2.655 7.946 -11.161 1.00 33.45 N ATOM 899 CA VAL A 58 3.344 6.700 -10.847 1.00 61.43 C ATOM 900 C VAL A 58 2.481 5.800 -9.970 1.00 25.15 C ATOM 901 O VAL A 58 2.073 6.188 -8.876 1.00 5.51 O ATOM 902 CB VAL A 58 4.683 6.963 -10.134 1.00 3.33 C ATOM 903 CG1 VAL A 58 4.468 7.817 -8.893 1.00 25.51 C ATOM 904 CG2 VAL A 58 5.364 5.650 -9.777 1.00 12.44 C ATOM 0 H VAL A 58 3.200 8.788 -10.975 1.00 33.45 H new ATOM 0 HA VAL A 58 3.539 6.199 -11.795 1.00 61.43 H new ATOM 0 HB VAL A 58 5.336 7.510 -10.814 1.00 3.33 H new ATOM 0 HG11 VAL A 58 5.425 7.993 -8.402 1.00 25.51 H new ATOM 0 HG12 VAL A 58 4.027 8.771 -9.180 1.00 25.51 H new ATOM 0 HG13 VAL A 58 3.798 7.299 -8.207 1.00 25.51 H new ATOM 0 HG21 VAL A 58 6.309 5.855 -9.274 1.00 12.44 H new ATOM 0 HG22 VAL A 58 4.718 5.073 -9.115 1.00 12.44 H new ATOM 0 HG23 VAL A 58 5.554 5.079 -10.686 1.00 12.44 H new ATOM 914 N GLY A 59 2.207 4.593 -10.457 1.00 4.52 N ATOM 915 CA GLY A 59 1.395 3.656 -9.704 1.00 12.34 C ATOM 916 C GLY A 59 0.020 3.461 -10.312 1.00 43.13 C ATOM 917 O GLY A 59 -0.539 2.365 -10.261 1.00 2.41 O ATOM 0 H GLY A 59 2.533 4.248 -11.360 1.00 4.52 H new ATOM 0 HA2 GLY A 59 1.907 2.695 -9.655 1.00 12.34 H new ATOM 0 HA3 GLY A 59 1.289 4.014 -8.680 1.00 12.34 H new ATOM 921 N ASP A 60 -0.526 4.526 -10.889 1.00 32.24 N ATOM 922 CA ASP A 60 -1.845 4.467 -11.509 1.00 44.12 C ATOM 923 C ASP A 60 -1.877 3.419 -12.617 1.00 53.02 C ATOM 924 O ASP A 60 -0.845 2.859 -12.987 1.00 43.50 O ATOM 925 CB ASP A 60 -2.228 5.836 -12.074 1.00 4.04 C ATOM 926 CG ASP A 60 -2.675 6.802 -10.995 1.00 13.43 C ATOM 927 OD1 ASP A 60 -2.256 6.628 -9.832 1.00 3.43 O ATOM 928 OD2 ASP A 60 -3.446 7.732 -11.313 1.00 51.32 O ATOM 0 H ASP A 60 -0.076 5.440 -10.940 1.00 32.24 H new ATOM 0 HA ASP A 60 -2.567 4.184 -10.744 1.00 44.12 H new ATOM 0 HB2 ASP A 60 -1.375 6.258 -12.605 1.00 4.04 H new ATOM 0 HB3 ASP A 60 -3.029 5.714 -12.803 1.00 4.04 H new ATOM 933 N TYR A 61 -3.069 3.158 -13.142 1.00 32.40 N ATOM 934 CA TYR A 61 -3.237 2.174 -14.205 1.00 51.13 C ATOM 935 C TYR A 61 -3.957 2.785 -15.404 1.00 22.02 C ATOM 936 O TYR A 61 -4.729 3.734 -15.262 1.00 2.31 O ATOM 937 CB TYR A 61 -4.018 0.964 -13.690 1.00 64.53 C ATOM 938 CG TYR A 61 -3.334 0.243 -12.550 1.00 54.00 C ATOM 939 CD1 TYR A 61 -3.504 0.663 -11.236 1.00 45.23 C ATOM 940 CD2 TYR A 61 -2.519 -0.857 -12.786 1.00 51.10 C ATOM 941 CE1 TYR A 61 -2.881 0.009 -10.191 1.00 62.52 C ATOM 942 CE2 TYR A 61 -1.894 -1.519 -11.747 1.00 43.51 C ATOM 943 CZ TYR A 61 -2.077 -1.082 -10.452 1.00 14.04 C ATOM 944 OH TYR A 61 -1.455 -1.737 -9.414 1.00 70.51 O ATOM 0 H TYR A 61 -3.933 3.614 -12.849 1.00 32.40 H new ATOM 0 HA TYR A 61 -2.247 1.850 -14.525 1.00 51.13 H new ATOM 0 HB2 TYR A 61 -5.005 1.292 -13.362 1.00 64.53 H new ATOM 0 HB3 TYR A 61 -4.171 0.264 -14.512 1.00 64.53 H new ATOM 0 HD1 TYR A 61 -4.134 1.515 -11.029 1.00 45.23 H new ATOM 0 HD2 TYR A 61 -2.371 -1.201 -13.799 1.00 51.10 H new ATOM 0 HE1 TYR A 61 -3.022 0.349 -9.176 1.00 62.52 H new ATOM 0 HE2 TYR A 61 -1.266 -2.374 -11.948 1.00 43.51 H new ATOM 0 HH TYR A 61 -1.344 -2.683 -9.644 1.00 70.51 H new ATOM 954 N LEU A 62 -3.699 2.233 -16.584 1.00 42.33 N ATOM 955 CA LEU A 62 -4.322 2.722 -17.810 1.00 23.13 C ATOM 956 C LEU A 62 -4.425 1.610 -18.849 1.00 4.20 C ATOM 957 O LEU A 62 -3.500 0.816 -19.017 1.00 50.43 O ATOM 958 CB LEU A 62 -3.522 3.895 -18.379 1.00 12.32 C ATOM 959 CG LEU A 62 -4.343 5.051 -18.953 1.00 63.20 C ATOM 960 CD1 LEU A 62 -4.858 5.946 -17.837 1.00 5.31 C ATOM 961 CD2 LEU A 62 -3.512 5.854 -19.943 1.00 72.05 C ATOM 0 H LEU A 62 -3.063 1.447 -16.719 1.00 42.33 H new ATOM 0 HA LEU A 62 -5.329 3.061 -17.567 1.00 23.13 H new ATOM 0 HB2 LEU A 62 -2.880 4.288 -17.590 1.00 12.32 H new ATOM 0 HB3 LEU A 62 -2.867 3.516 -19.164 1.00 12.32 H new ATOM 0 HG LEU A 62 -5.201 4.635 -19.482 1.00 63.20 H new ATOM 0 HD11 LEU A 62 -5.440 6.763 -18.265 1.00 5.31 H new ATOM 0 HD12 LEU A 62 -5.489 5.364 -17.166 1.00 5.31 H new ATOM 0 HD13 LEU A 62 -4.015 6.354 -17.280 1.00 5.31 H new ATOM 0 HD21 LEU A 62 -4.112 6.672 -20.342 1.00 72.05 H new ATOM 0 HD22 LEU A 62 -2.635 6.259 -19.438 1.00 72.05 H new ATOM 0 HD23 LEU A 62 -3.193 5.206 -20.760 1.00 72.05 H new ATOM 973 N GLY A 63 -5.556 1.561 -19.546 1.00 10.22 N ATOM 974 CA GLY A 63 -5.758 0.545 -20.562 1.00 31.34 C ATOM 975 C GLY A 63 -6.330 -0.739 -19.992 1.00 42.51 C ATOM 976 O GLY A 63 -6.399 -0.908 -18.775 1.00 20.52 O ATOM 0 H GLY A 63 -6.336 2.207 -19.425 1.00 10.22 H new ATOM 0 HA2 GLY A 63 -6.431 0.930 -21.328 1.00 31.34 H new ATOM 0 HA3 GLY A 63 -4.808 0.330 -21.051 1.00 31.34 H new ATOM 980 N ARG A 64 -6.742 -1.643 -20.874 1.00 31.31 N ATOM 981 CA ARG A 64 -7.314 -2.916 -20.452 1.00 24.42 C ATOM 982 C ARG A 64 -6.217 -3.895 -20.042 1.00 72.42 C ATOM 983 O ARG A 64 -6.492 -4.939 -19.453 1.00 34.53 O ATOM 984 CB ARG A 64 -8.156 -3.520 -21.577 1.00 53.51 C ATOM 985 CG ARG A 64 -9.574 -2.973 -21.636 1.00 64.54 C ATOM 986 CD ARG A 64 -10.314 -3.477 -22.866 1.00 23.34 C ATOM 987 NE ARG A 64 -11.686 -3.871 -22.555 1.00 45.45 N ATOM 988 CZ ARG A 64 -12.554 -4.291 -23.469 1.00 23.34 C ATOM 989 NH1 ARG A 64 -12.194 -4.373 -24.742 1.00 61.21 N ATOM 990 NH2 ARG A 64 -13.785 -4.632 -23.108 1.00 44.35 N ATOM 0 H ARG A 64 -6.691 -1.518 -21.885 1.00 31.31 H new ATOM 0 HA ARG A 64 -7.953 -2.730 -19.589 1.00 24.42 H new ATOM 0 HB2 ARG A 64 -7.663 -3.331 -22.530 1.00 53.51 H new ATOM 0 HB3 ARG A 64 -8.198 -4.602 -21.448 1.00 53.51 H new ATOM 0 HG2 ARG A 64 -10.116 -3.267 -20.738 1.00 64.54 H new ATOM 0 HG3 ARG A 64 -9.545 -1.883 -21.648 1.00 64.54 H new ATOM 0 HD2 ARG A 64 -10.324 -2.697 -23.628 1.00 23.34 H new ATOM 0 HD3 ARG A 64 -9.779 -4.328 -23.288 1.00 23.34 H new ATOM 0 HE ARG A 64 -11.994 -3.821 -21.584 1.00 45.45 H new ATOM 0 HH11 ARG A 64 -11.248 -4.113 -25.022 1.00 61.21 H new ATOM 0 HH12 ARG A 64 -12.863 -4.696 -25.441 1.00 61.21 H new ATOM 0 HH21 ARG A 64 -14.065 -4.572 -22.129 1.00 44.35 H new ATOM 0 HH22 ARG A 64 -14.451 -4.954 -23.810 1.00 44.35 H new ATOM 1004 N ASN A 65 -4.974 -3.550 -20.360 1.00 3.12 N ATOM 1005 CA ASN A 65 -3.836 -4.399 -20.026 1.00 3.32 C ATOM 1006 C ASN A 65 -3.214 -3.978 -18.698 1.00 13.34 C ATOM 1007 O ASN A 65 -2.046 -4.259 -18.430 1.00 41.13 O ATOM 1008 CB ASN A 65 -2.784 -4.338 -21.136 1.00 13.53 C ATOM 1009 CG ASN A 65 -3.354 -4.704 -22.493 1.00 22.15 C ATOM 1010 OD1 ASN A 65 -3.377 -3.884 -23.411 1.00 23.24 O ATOM 1011 ND2 ASN A 65 -3.818 -5.941 -22.625 1.00 24.44 N ATOM 0 H ASN A 65 -4.729 -2.689 -20.848 1.00 3.12 H new ATOM 0 HA ASN A 65 -4.195 -5.424 -19.930 1.00 3.32 H new ATOM 0 HB2 ASN A 65 -2.364 -3.333 -21.180 1.00 13.53 H new ATOM 0 HB3 ASN A 65 -1.965 -5.015 -20.894 1.00 13.53 H new ATOM 0 HD21 ASN A 65 -4.214 -6.245 -23.515 1.00 24.44 H new ATOM 0 HD22 ASN A 65 -3.779 -6.587 -21.837 1.00 24.44 H new ATOM 1018 N ASP A 66 -4.004 -3.303 -17.869 1.00 63.10 N ATOM 1019 CA ASP A 66 -3.532 -2.844 -16.567 1.00 73.54 C ATOM 1020 C ASP A 66 -2.219 -2.081 -16.703 1.00 42.44 C ATOM 1021 O ASP A 66 -1.255 -2.350 -15.987 1.00 54.32 O ATOM 1022 CB ASP A 66 -3.351 -4.031 -15.620 1.00 23.22 C ATOM 1023 CG ASP A 66 -4.651 -4.452 -14.963 1.00 61.14 C ATOM 1024 OD1 ASP A 66 -5.723 -4.186 -15.546 1.00 33.02 O ATOM 1025 OD2 ASP A 66 -4.596 -5.048 -13.868 1.00 20.42 O ATOM 0 H ASP A 66 -4.973 -3.062 -18.075 1.00 63.10 H new ATOM 0 HA ASP A 66 -4.282 -2.169 -16.153 1.00 73.54 H new ATOM 0 HB2 ASP A 66 -2.938 -4.874 -16.174 1.00 23.22 H new ATOM 0 HB3 ASP A 66 -2.626 -3.770 -14.849 1.00 23.22 H new ATOM 1030 N GLY A 67 -2.188 -1.127 -17.629 1.00 43.41 N ATOM 1031 CA GLY A 67 -0.987 -0.339 -17.843 1.00 75.42 C ATOM 1032 C GLY A 67 -0.575 0.436 -16.608 1.00 25.32 C ATOM 1033 O GLY A 67 -1.037 1.555 -16.384 1.00 31.42 O ATOM 0 H GLY A 67 -2.972 -0.886 -18.235 1.00 43.41 H new ATOM 0 HA2 GLY A 67 -0.172 -0.998 -18.143 1.00 75.42 H new ATOM 0 HA3 GLY A 67 -1.154 0.356 -18.666 1.00 75.42 H new ATOM 1037 N LYS A 68 0.298 -0.160 -15.802 1.00 13.14 N ATOM 1038 CA LYS A 68 0.774 0.481 -14.581 1.00 75.33 C ATOM 1039 C LYS A 68 1.856 1.509 -14.893 1.00 61.01 C ATOM 1040 O LYS A 68 2.760 1.252 -15.688 1.00 61.22 O ATOM 1041 CB LYS A 68 1.317 -0.568 -13.609 1.00 32.55 C ATOM 1042 CG LYS A 68 2.157 0.019 -12.488 1.00 23.41 C ATOM 1043 CD LYS A 68 2.411 -1.000 -11.389 1.00 45.12 C ATOM 1044 CE LYS A 68 1.118 -1.416 -10.705 1.00 4.43 C ATOM 1045 NZ LYS A 68 1.358 -1.912 -9.321 1.00 60.34 N ATOM 0 H LYS A 68 0.690 -1.086 -15.972 1.00 13.14 H new ATOM 0 HA LYS A 68 -0.068 0.995 -14.118 1.00 75.33 H new ATOM 0 HB2 LYS A 68 0.481 -1.117 -13.176 1.00 32.55 H new ATOM 0 HB3 LYS A 68 1.918 -1.288 -14.164 1.00 32.55 H new ATOM 0 HG2 LYS A 68 3.109 0.367 -12.889 1.00 23.41 H new ATOM 0 HG3 LYS A 68 1.650 0.888 -12.069 1.00 23.41 H new ATOM 0 HD2 LYS A 68 2.899 -1.878 -11.811 1.00 45.12 H new ATOM 0 HD3 LYS A 68 3.095 -0.579 -10.652 1.00 45.12 H new ATOM 0 HE2 LYS A 68 0.434 -0.568 -10.673 1.00 4.43 H new ATOM 0 HE3 LYS A 68 0.631 -2.196 -11.291 1.00 4.43 H new ATOM 0 HZ1 LYS A 68 0.447 -2.041 -8.836 1.00 60.34 H new ATOM 0 HZ2 LYS A 68 1.861 -2.821 -9.360 1.00 60.34 H new ATOM 0 HZ3 LYS A 68 1.933 -1.220 -8.799 1.00 60.34 H new ATOM 1059 N VAL A 69 1.759 2.674 -14.261 1.00 0.23 N ATOM 1060 CA VAL A 69 2.732 3.740 -14.469 1.00 14.32 C ATOM 1061 C VAL A 69 4.001 3.491 -13.663 1.00 23.04 C ATOM 1062 O VAL A 69 3.962 3.395 -12.436 1.00 30.31 O ATOM 1063 CB VAL A 69 2.151 5.113 -14.080 1.00 42.12 C ATOM 1064 CG1 VAL A 69 3.165 6.216 -14.345 1.00 72.10 C ATOM 1065 CG2 VAL A 69 0.856 5.376 -14.834 1.00 0.05 C ATOM 0 H VAL A 69 1.016 2.904 -13.601 1.00 0.23 H new ATOM 0 HA VAL A 69 2.975 3.744 -15.532 1.00 14.32 H new ATOM 0 HB VAL A 69 1.928 5.105 -13.013 1.00 42.12 H new ATOM 0 HG11 VAL A 69 2.737 7.179 -14.064 1.00 72.10 H new ATOM 0 HG12 VAL A 69 4.064 6.033 -13.756 1.00 72.10 H new ATOM 0 HG13 VAL A 69 3.421 6.228 -15.404 1.00 72.10 H new ATOM 0 HG21 VAL A 69 0.459 6.350 -14.547 1.00 0.05 H new ATOM 0 HG22 VAL A 69 1.051 5.365 -15.906 1.00 0.05 H new ATOM 0 HG23 VAL A 69 0.129 4.602 -14.589 1.00 0.05 H new ATOM 1075 N VAL A 70 5.128 3.388 -14.360 1.00 60.44 N ATOM 1076 CA VAL A 70 6.411 3.151 -13.710 1.00 22.03 C ATOM 1077 C VAL A 70 7.376 4.304 -13.962 1.00 63.24 C ATOM 1078 O VAL A 70 8.242 4.594 -13.138 1.00 45.05 O ATOM 1079 CB VAL A 70 7.055 1.840 -14.199 1.00 2.12 C ATOM 1080 CG1 VAL A 70 6.086 0.678 -14.042 1.00 4.02 C ATOM 1081 CG2 VAL A 70 7.507 1.976 -15.645 1.00 5.32 C ATOM 0 H VAL A 70 5.178 3.465 -15.376 1.00 60.44 H new ATOM 0 HA VAL A 70 6.214 3.073 -12.641 1.00 22.03 H new ATOM 0 HB VAL A 70 7.932 1.636 -13.586 1.00 2.12 H new ATOM 0 HG11 VAL A 70 6.558 -0.240 -14.393 1.00 4.02 H new ATOM 0 HG12 VAL A 70 5.816 0.569 -12.992 1.00 4.02 H new ATOM 0 HG13 VAL A 70 5.188 0.871 -14.629 1.00 4.02 H new ATOM 0 HG21 VAL A 70 7.960 1.041 -15.974 1.00 5.32 H new ATOM 0 HG22 VAL A 70 6.647 2.205 -16.275 1.00 5.32 H new ATOM 0 HG23 VAL A 70 8.238 2.780 -15.723 1.00 5.32 H new ATOM 1091 N GLY A 71 7.220 4.959 -15.109 1.00 20.01 N ATOM 1092 CA GLY A 71 8.084 6.074 -15.450 1.00 65.51 C ATOM 1093 C GLY A 71 7.334 7.204 -16.125 1.00 54.20 C ATOM 1094 O GLY A 71 6.436 6.966 -16.934 1.00 45.23 O ATOM 0 H GLY A 71 6.511 4.737 -15.808 1.00 20.01 H new ATOM 0 HA2 GLY A 71 8.562 6.449 -14.545 1.00 65.51 H new ATOM 0 HA3 GLY A 71 8.879 5.725 -16.109 1.00 65.51 H new ATOM 1098 N ILE A 72 7.699 8.437 -15.791 1.00 11.20 N ATOM 1099 CA ILE A 72 7.053 9.608 -16.370 1.00 53.33 C ATOM 1100 C ILE A 72 8.076 10.684 -16.721 1.00 34.42 C ATOM 1101 O ILE A 72 8.619 11.348 -15.839 1.00 44.40 O ATOM 1102 CB ILE A 72 6.005 10.205 -15.412 1.00 41.00 C ATOM 1103 CG1 ILE A 72 4.916 9.175 -15.107 1.00 75.12 C ATOM 1104 CG2 ILE A 72 5.398 11.465 -16.010 1.00 12.44 C ATOM 1105 CD1 ILE A 72 4.090 9.512 -13.885 1.00 41.13 C ATOM 0 H ILE A 72 8.439 8.651 -15.122 1.00 11.20 H new ATOM 0 HA ILE A 72 6.553 9.275 -17.280 1.00 53.33 H new ATOM 0 HB ILE A 72 6.498 10.472 -14.477 1.00 41.00 H new ATOM 0 HG12 ILE A 72 4.255 9.090 -15.970 1.00 75.12 H new ATOM 0 HG13 ILE A 72 5.380 8.199 -14.964 1.00 75.12 H new ATOM 0 HG21 ILE A 72 4.659 11.875 -15.321 1.00 12.44 H new ATOM 0 HG22 ILE A 72 6.183 12.201 -16.181 1.00 12.44 H new ATOM 0 HG23 ILE A 72 4.916 11.223 -16.957 1.00 12.44 H new ATOM 0 HD11 ILE A 72 3.338 8.738 -13.730 1.00 41.13 H new ATOM 0 HD12 ILE A 72 4.739 9.568 -13.011 1.00 41.13 H new ATOM 0 HD13 ILE A 72 3.597 10.473 -14.033 1.00 41.13 H new ATOM 1117 N SER A 73 8.331 10.850 -18.014 1.00 44.14 N ATOM 1118 CA SER A 73 9.291 11.844 -18.482 1.00 74.22 C ATOM 1119 C SER A 73 8.576 13.025 -19.132 1.00 1.03 C ATOM 1120 O SER A 73 7.356 13.152 -19.040 1.00 34.13 O ATOM 1121 CB SER A 73 10.266 11.213 -19.478 1.00 71.00 C ATOM 1122 OG SER A 73 10.599 9.889 -19.097 1.00 1.53 O ATOM 0 H SER A 73 7.887 10.310 -18.757 1.00 44.14 H new ATOM 0 HA SER A 73 9.849 12.209 -17.620 1.00 74.22 H new ATOM 0 HB2 SER A 73 9.821 11.207 -20.473 1.00 71.00 H new ATOM 0 HB3 SER A 73 11.172 11.816 -19.537 1.00 71.00 H new ATOM 0 HG SER A 73 11.337 9.564 -19.654 1.00 1.53 H new ATOM 1128 N GLU A 74 9.347 13.887 -19.788 1.00 72.30 N ATOM 1129 CA GLU A 74 8.788 15.058 -20.452 1.00 53.32 C ATOM 1130 C GLU A 74 8.504 14.766 -21.923 1.00 14.23 C ATOM 1131 O GLU A 74 7.876 15.566 -22.616 1.00 30.23 O ATOM 1132 CB GLU A 74 9.746 16.246 -20.332 1.00 75.55 C ATOM 1133 CG GLU A 74 11.030 16.074 -21.126 1.00 73.03 C ATOM 1134 CD GLU A 74 12.071 17.122 -20.784 1.00 64.53 C ATOM 1135 OE1 GLU A 74 11.701 18.307 -20.656 1.00 44.20 O ATOM 1136 OE2 GLU A 74 13.257 16.755 -20.645 1.00 21.34 O ATOM 0 H GLU A 74 10.359 13.796 -19.874 1.00 72.30 H new ATOM 0 HA GLU A 74 7.847 15.308 -19.961 1.00 53.32 H new ATOM 0 HB2 GLU A 74 9.237 17.148 -20.671 1.00 75.55 H new ATOM 0 HB3 GLU A 74 9.995 16.396 -19.282 1.00 75.55 H new ATOM 0 HG2 GLU A 74 11.441 15.083 -20.935 1.00 73.03 H new ATOM 0 HG3 GLU A 74 10.804 16.125 -22.191 1.00 73.03 H new ATOM 1143 N GLY A 75 8.972 13.614 -22.392 1.00 74.44 N ATOM 1144 CA GLY A 75 8.759 13.236 -23.777 1.00 60.04 C ATOM 1145 C GLY A 75 8.482 11.754 -23.938 1.00 41.44 C ATOM 1146 O GLY A 75 8.507 11.227 -25.051 1.00 11.42 O ATOM 0 H GLY A 75 9.495 12.936 -21.838 1.00 74.44 H new ATOM 0 HA2 GLY A 75 7.922 13.805 -24.181 1.00 60.04 H new ATOM 0 HA3 GLY A 75 9.638 13.504 -24.363 1.00 60.04 H new ATOM 1150 N LYS A 76 8.219 11.079 -22.825 1.00 33.01 N ATOM 1151 CA LYS A 76 7.936 9.649 -22.846 1.00 22.33 C ATOM 1152 C LYS A 76 7.407 9.179 -21.494 1.00 61.24 C ATOM 1153 O LYS A 76 7.792 9.705 -20.450 1.00 1.01 O ATOM 1154 CB LYS A 76 9.198 8.864 -23.212 1.00 60.01 C ATOM 1155 CG LYS A 76 10.349 9.077 -22.244 1.00 42.05 C ATOM 1156 CD LYS A 76 11.301 10.154 -22.738 1.00 73.13 C ATOM 1157 CE LYS A 76 12.336 9.586 -23.697 1.00 71.11 C ATOM 1158 NZ LYS A 76 13.216 8.585 -23.033 1.00 63.14 N ATOM 0 H LYS A 76 8.196 11.500 -21.896 1.00 33.01 H new ATOM 0 HA LYS A 76 7.170 9.467 -23.600 1.00 22.33 H new ATOM 0 HB2 LYS A 76 8.957 7.802 -23.249 1.00 60.01 H new ATOM 0 HB3 LYS A 76 9.518 9.153 -24.213 1.00 60.01 H new ATOM 0 HG2 LYS A 76 9.956 9.358 -21.267 1.00 42.05 H new ATOM 0 HG3 LYS A 76 10.893 8.142 -22.113 1.00 42.05 H new ATOM 0 HD2 LYS A 76 10.735 10.941 -23.236 1.00 73.13 H new ATOM 0 HD3 LYS A 76 11.805 10.614 -21.888 1.00 73.13 H new ATOM 0 HE2 LYS A 76 11.830 9.121 -24.543 1.00 71.11 H new ATOM 0 HE3 LYS A 76 12.945 10.397 -24.096 1.00 71.11 H new ATOM 0 HZ1 LYS A 76 14.132 8.548 -23.525 1.00 63.14 H new ATOM 0 HZ2 LYS A 76 13.366 8.859 -22.041 1.00 63.14 H new ATOM 0 HZ3 LYS A 76 12.765 7.648 -23.069 1.00 63.14 H new ATOM 1172 N ILE A 77 6.525 8.186 -21.522 1.00 72.25 N ATOM 1173 CA ILE A 77 5.946 7.644 -20.299 1.00 51.23 C ATOM 1174 C ILE A 77 6.098 6.128 -20.243 1.00 63.15 C ATOM 1175 O ILE A 77 5.517 5.405 -21.053 1.00 45.14 O ATOM 1176 CB ILE A 77 4.453 8.004 -20.176 1.00 24.24 C ATOM 1177 CG1 ILE A 77 4.271 9.523 -20.173 1.00 30.12 C ATOM 1178 CG2 ILE A 77 3.864 7.392 -18.914 1.00 20.33 C ATOM 1179 CD1 ILE A 77 2.886 9.966 -20.589 1.00 71.11 C ATOM 0 H ILE A 77 6.196 7.740 -22.378 1.00 72.25 H new ATOM 0 HA ILE A 77 6.490 8.092 -19.467 1.00 51.23 H new ATOM 0 HB ILE A 77 3.923 7.595 -21.036 1.00 24.24 H new ATOM 0 HG12 ILE A 77 4.481 9.904 -19.174 1.00 30.12 H new ATOM 0 HG13 ILE A 77 5.004 9.970 -20.845 1.00 30.12 H new ATOM 0 HG21 ILE A 77 2.809 7.655 -18.840 1.00 20.33 H new ATOM 0 HG22 ILE A 77 3.966 6.308 -18.954 1.00 20.33 H new ATOM 0 HG23 ILE A 77 4.395 7.775 -18.042 1.00 20.33 H new ATOM 0 HD11 ILE A 77 2.829 11.054 -20.564 1.00 71.11 H new ATOM 0 HD12 ILE A 77 2.680 9.615 -21.600 1.00 71.11 H new ATOM 0 HD13 ILE A 77 2.149 9.548 -19.903 1.00 71.11 H new ATOM 1191 N ASP A 78 6.882 5.653 -19.282 1.00 35.25 N ATOM 1192 CA ASP A 78 7.108 4.222 -19.117 1.00 64.43 C ATOM 1193 C ASP A 78 6.001 3.588 -18.281 1.00 11.31 C ATOM 1194 O ASP A 78 5.678 4.068 -17.194 1.00 72.11 O ATOM 1195 CB ASP A 78 8.467 3.971 -18.461 1.00 31.10 C ATOM 1196 CG ASP A 78 9.571 4.807 -19.078 1.00 11.03 C ATOM 1197 OD1 ASP A 78 9.641 6.016 -18.772 1.00 25.02 O ATOM 1198 OD2 ASP A 78 10.365 4.252 -19.866 1.00 0.34 O ATOM 0 H ASP A 78 7.372 6.238 -18.605 1.00 35.25 H new ATOM 0 HA ASP A 78 7.099 3.762 -20.105 1.00 64.43 H new ATOM 0 HB2 ASP A 78 8.399 4.193 -17.396 1.00 31.10 H new ATOM 0 HB3 ASP A 78 8.721 2.915 -18.551 1.00 31.10 H new ATOM 1203 N VAL A 79 5.421 2.508 -18.796 1.00 4.34 N ATOM 1204 CA VAL A 79 4.350 1.809 -18.097 1.00 11.04 C ATOM 1205 C VAL A 79 4.393 0.312 -18.382 1.00 2.05 C ATOM 1206 O VAL A 79 4.837 -0.114 -19.448 1.00 60.41 O ATOM 1207 CB VAL A 79 2.967 2.357 -18.497 1.00 63.01 C ATOM 1208 CG1 VAL A 79 2.928 3.870 -18.346 1.00 43.15 C ATOM 1209 CG2 VAL A 79 2.624 1.946 -19.921 1.00 33.42 C ATOM 0 H VAL A 79 5.675 2.099 -19.695 1.00 4.34 H new ATOM 0 HA VAL A 79 4.505 1.978 -17.031 1.00 11.04 H new ATOM 0 HB VAL A 79 2.219 1.930 -17.829 1.00 63.01 H new ATOM 0 HG11 VAL A 79 1.943 4.239 -18.633 1.00 43.15 H new ATOM 0 HG12 VAL A 79 3.127 4.137 -17.308 1.00 43.15 H new ATOM 0 HG13 VAL A 79 3.685 4.319 -18.988 1.00 43.15 H new ATOM 0 HG21 VAL A 79 1.644 2.341 -20.188 1.00 33.42 H new ATOM 0 HG22 VAL A 79 3.374 2.343 -20.605 1.00 33.42 H new ATOM 0 HG23 VAL A 79 2.608 0.858 -19.992 1.00 33.42 H new ATOM 1219 N ILE A 80 3.929 -0.481 -17.422 1.00 3.03 N ATOM 1220 CA ILE A 80 3.914 -1.931 -17.570 1.00 54.14 C ATOM 1221 C ILE A 80 2.566 -2.415 -18.095 1.00 63.15 C ATOM 1222 O ILE A 80 1.541 -2.268 -17.431 1.00 24.23 O ATOM 1223 CB ILE A 80 4.215 -2.637 -16.235 1.00 63.03 C ATOM 1224 CG1 ILE A 80 5.725 -2.698 -15.996 1.00 23.53 C ATOM 1225 CG2 ILE A 80 3.615 -4.035 -16.228 1.00 41.01 C ATOM 1226 CD1 ILE A 80 6.435 -3.710 -16.868 1.00 51.14 C ATOM 0 H ILE A 80 3.559 -0.144 -16.534 1.00 3.03 H new ATOM 0 HA ILE A 80 4.694 -2.183 -18.288 1.00 54.14 H new ATOM 0 HB ILE A 80 3.760 -2.064 -15.427 1.00 63.03 H new ATOM 0 HG12 ILE A 80 6.153 -1.712 -16.176 1.00 23.53 H new ATOM 0 HG13 ILE A 80 5.909 -2.940 -14.949 1.00 23.53 H new ATOM 0 HG21 ILE A 80 3.836 -4.521 -15.278 1.00 41.01 H new ATOM 0 HG22 ILE A 80 2.535 -3.968 -16.358 1.00 41.01 H new ATOM 0 HG23 ILE A 80 4.043 -4.619 -17.043 1.00 41.01 H new ATOM 0 HD11 ILE A 80 7.502 -3.698 -16.644 1.00 51.14 H new ATOM 0 HD12 ILE A 80 6.034 -4.704 -16.672 1.00 51.14 H new ATOM 0 HD13 ILE A 80 6.282 -3.458 -17.917 1.00 51.14 H new ATOM 1238 N GLU A 81 2.577 -2.994 -19.292 1.00 21.40 N ATOM 1239 CA GLU A 81 1.355 -3.501 -19.906 1.00 23.45 C ATOM 1240 C GLU A 81 1.396 -5.022 -20.022 1.00 73.42 C ATOM 1241 O GLU A 81 2.370 -5.592 -20.514 1.00 43.14 O ATOM 1242 CB GLU A 81 1.156 -2.878 -21.289 1.00 1.04 C ATOM 1243 CG GLU A 81 0.678 -1.436 -21.243 1.00 61.43 C ATOM 1244 CD GLU A 81 1.016 -0.670 -22.507 1.00 53.22 C ATOM 1245 OE1 GLU A 81 0.987 -1.281 -23.596 1.00 52.53 O ATOM 1246 OE2 GLU A 81 1.309 0.540 -22.408 1.00 30.23 O ATOM 0 H GLU A 81 3.418 -3.123 -19.855 1.00 21.40 H new ATOM 0 HA GLU A 81 0.516 -3.225 -19.267 1.00 23.45 H new ATOM 0 HB2 GLU A 81 2.097 -2.923 -21.837 1.00 1.04 H new ATOM 0 HB3 GLU A 81 0.433 -3.474 -21.846 1.00 1.04 H new ATOM 0 HG2 GLU A 81 -0.401 -1.419 -21.090 1.00 61.43 H new ATOM 0 HG3 GLU A 81 1.129 -0.935 -20.387 1.00 61.43 H new ATOM 1253 N ILE A 82 0.331 -5.673 -19.566 1.00 21.32 N ATOM 1254 CA ILE A 82 0.244 -7.127 -19.619 1.00 64.42 C ATOM 1255 C ILE A 82 -0.228 -7.600 -20.990 1.00 12.11 C ATOM 1256 O ILE A 82 -1.166 -7.043 -21.561 1.00 70.31 O ATOM 1257 CB ILE A 82 -0.711 -7.674 -18.543 1.00 33.35 C ATOM 1258 CG1 ILE A 82 -0.117 -7.464 -17.148 1.00 75.21 C ATOM 1259 CG2 ILE A 82 -0.996 -9.149 -18.786 1.00 44.13 C ATOM 1260 CD1 ILE A 82 -0.270 -6.050 -16.633 1.00 44.15 C ATOM 0 H ILE A 82 -0.484 -5.216 -19.156 1.00 21.32 H new ATOM 0 HA ILE A 82 1.247 -7.510 -19.431 1.00 64.42 H new ATOM 0 HB ILE A 82 -1.652 -7.128 -18.603 1.00 33.35 H new ATOM 0 HG12 ILE A 82 -0.597 -8.150 -16.450 1.00 75.21 H new ATOM 0 HG13 ILE A 82 0.942 -7.721 -17.170 1.00 75.21 H new ATOM 0 HG21 ILE A 82 -1.673 -9.520 -18.016 1.00 44.13 H new ATOM 0 HG22 ILE A 82 -1.457 -9.274 -19.766 1.00 44.13 H new ATOM 0 HG23 ILE A 82 -0.063 -9.711 -18.750 1.00 44.13 H new ATOM 0 HD11 ILE A 82 0.173 -5.974 -15.640 1.00 44.15 H new ATOM 0 HD12 ILE A 82 0.235 -5.360 -17.309 1.00 44.15 H new ATOM 0 HD13 ILE A 82 -1.328 -5.795 -16.578 1.00 44.15 H new ATOM 1272 N VAL A 83 0.427 -8.632 -21.512 1.00 53.03 N ATOM 1273 CA VAL A 83 0.072 -9.182 -22.815 1.00 60.30 C ATOM 1274 C VAL A 83 0.210 -10.701 -22.826 1.00 41.53 C ATOM 1275 O VAL A 83 0.965 -11.286 -22.050 1.00 2.12 O ATOM 1276 CB VAL A 83 0.951 -8.590 -23.933 1.00 15.42 C ATOM 1277 CG1 VAL A 83 0.504 -7.175 -24.269 1.00 43.04 C ATOM 1278 CG2 VAL A 83 2.416 -8.613 -23.526 1.00 43.45 C ATOM 0 H VAL A 83 1.206 -9.104 -21.053 1.00 53.03 H new ATOM 0 HA VAL A 83 -0.968 -8.913 -23.000 1.00 60.30 H new ATOM 0 HB VAL A 83 0.836 -9.204 -24.827 1.00 15.42 H new ATOM 0 HG11 VAL A 83 1.136 -6.772 -25.061 1.00 43.04 H new ATOM 0 HG12 VAL A 83 -0.533 -7.191 -24.605 1.00 43.04 H new ATOM 0 HG13 VAL A 83 0.588 -6.547 -23.382 1.00 43.04 H new ATOM 0 HG21 VAL A 83 3.023 -8.191 -24.327 1.00 43.45 H new ATOM 0 HG22 VAL A 83 2.551 -8.023 -22.619 1.00 43.45 H new ATOM 0 HG23 VAL A 83 2.726 -9.641 -23.339 1.00 43.45 H new ATOM 1288 N PRO A 84 -0.536 -11.356 -23.728 1.00 40.21 N ATOM 1289 CA PRO A 84 -0.514 -12.815 -23.863 1.00 63.25 C ATOM 1290 C PRO A 84 0.804 -13.324 -24.439 1.00 33.05 C ATOM 1291 O PRO A 84 1.447 -12.643 -25.238 1.00 22.45 O ATOM 1292 CB PRO A 84 -1.665 -13.099 -24.832 1.00 21.35 C ATOM 1293 CG PRO A 84 -1.815 -11.845 -25.621 1.00 4.54 C ATOM 1294 CD PRO A 84 -1.458 -10.722 -24.685 1.00 73.23 C ATOM 0 HA PRO A 84 -0.616 -13.315 -22.900 1.00 63.25 H new ATOM 0 HB2 PRO A 84 -1.439 -13.948 -25.477 1.00 21.35 H new ATOM 0 HB3 PRO A 84 -2.583 -13.342 -24.296 1.00 21.35 H new ATOM 0 HG2 PRO A 84 -1.159 -11.851 -26.492 1.00 4.54 H new ATOM 0 HG3 PRO A 84 -2.835 -11.736 -25.991 1.00 4.54 H new ATOM 0 HD2 PRO A 84 -0.983 -9.895 -25.213 1.00 73.23 H new ATOM 0 HD3 PRO A 84 -2.339 -10.318 -24.187 1.00 73.23 H new ATOM 1302 N ASP A 85 1.199 -14.524 -24.028 1.00 10.14 N ATOM 1303 CA ASP A 85 2.440 -15.125 -24.504 1.00 13.35 C ATOM 1304 C ASP A 85 2.169 -16.097 -25.647 1.00 72.13 C ATOM 1305 O ASP A 85 3.036 -16.343 -26.485 1.00 34.22 O ATOM 1306 CB ASP A 85 3.152 -15.849 -23.360 1.00 42.41 C ATOM 1307 CG ASP A 85 4.312 -16.696 -23.845 1.00 20.01 C ATOM 1308 OD1 ASP A 85 4.061 -17.799 -24.374 1.00 72.21 O ATOM 1309 OD2 ASP A 85 5.471 -16.256 -23.696 1.00 11.31 O ATOM 0 H ASP A 85 0.678 -15.100 -23.366 1.00 10.14 H new ATOM 0 HA ASP A 85 3.083 -14.327 -24.875 1.00 13.35 H new ATOM 0 HB2 ASP A 85 3.517 -15.116 -22.641 1.00 42.41 H new ATOM 0 HB3 ASP A 85 2.438 -16.483 -22.834 1.00 42.41 H new ATOM 1314 N GLY A 86 0.959 -16.648 -25.675 1.00 20.41 N ATOM 1315 CA GLY A 86 0.596 -17.589 -26.719 1.00 40.41 C ATOM 1316 C GLY A 86 -0.016 -18.861 -26.167 1.00 12.53 C ATOM 1317 O GLY A 86 -0.927 -19.429 -26.767 1.00 34.20 O ATOM 0 H GLY A 86 0.224 -16.460 -24.993 1.00 20.41 H new ATOM 0 HA2 GLY A 86 -0.111 -17.116 -27.401 1.00 40.41 H new ATOM 0 HA3 GLY A 86 1.482 -17.839 -27.302 1.00 40.41 H new ATOM 1321 N GLU A 87 0.487 -19.308 -25.021 1.00 32.45 N ATOM 1322 CA GLU A 87 -0.016 -20.523 -24.389 1.00 63.14 C ATOM 1323 C GLU A 87 -1.055 -20.192 -23.322 1.00 42.21 C ATOM 1324 O GLU A 87 -1.308 -20.987 -22.418 1.00 64.23 O ATOM 1325 CB GLU A 87 1.136 -21.315 -23.767 1.00 61.00 C ATOM 1326 CG GLU A 87 2.369 -21.394 -24.652 1.00 75.42 C ATOM 1327 CD GLU A 87 3.168 -22.663 -24.426 1.00 43.34 C ATOM 1328 OE1 GLU A 87 3.987 -22.689 -23.484 1.00 14.23 O ATOM 1329 OE2 GLU A 87 2.975 -23.630 -25.193 1.00 41.51 O ATOM 0 H GLU A 87 1.241 -18.848 -24.511 1.00 32.45 H new ATOM 0 HA GLU A 87 -0.492 -21.131 -25.158 1.00 63.14 H new ATOM 0 HB2 GLU A 87 1.410 -20.856 -22.817 1.00 61.00 H new ATOM 0 HB3 GLU A 87 0.793 -22.326 -23.545 1.00 61.00 H new ATOM 0 HG2 GLU A 87 2.065 -21.341 -25.698 1.00 75.42 H new ATOM 0 HG3 GLU A 87 3.005 -20.530 -24.461 1.00 75.42 H new ATOM 1336 N GLY A 88 -1.654 -19.010 -23.434 1.00 60.13 N ATOM 1337 CA GLY A 88 -2.658 -18.593 -22.473 1.00 21.21 C ATOM 1338 C GLY A 88 -2.057 -17.871 -21.283 1.00 40.14 C ATOM 1339 O GLY A 88 -2.773 -17.252 -20.498 1.00 35.01 O ATOM 0 H GLY A 88 -1.462 -18.334 -24.173 1.00 60.13 H new ATOM 0 HA2 GLY A 88 -3.378 -17.939 -22.965 1.00 21.21 H new ATOM 0 HA3 GLY A 88 -3.208 -19.467 -22.124 1.00 21.21 H new ATOM 1343 N ASN A 89 -0.737 -17.951 -21.149 1.00 71.33 N ATOM 1344 CA ASN A 89 -0.040 -17.302 -20.045 1.00 51.31 C ATOM 1345 C ASN A 89 0.271 -15.846 -20.379 1.00 53.23 C ATOM 1346 O ASN A 89 0.749 -15.538 -21.471 1.00 13.40 O ATOM 1347 CB ASN A 89 1.255 -18.050 -19.721 1.00 54.22 C ATOM 1348 CG ASN A 89 2.389 -17.674 -20.655 1.00 52.30 C ATOM 1349 OD1 ASN A 89 2.966 -16.592 -20.544 1.00 63.21 O ATOM 1350 ND2 ASN A 89 2.713 -18.568 -21.582 1.00 52.30 N ATOM 0 H ASN A 89 -0.129 -18.459 -21.791 1.00 71.33 H new ATOM 0 HA ASN A 89 -0.693 -17.325 -19.173 1.00 51.31 H new ATOM 0 HB2 ASN A 89 1.548 -17.835 -18.693 1.00 54.22 H new ATOM 0 HB3 ASN A 89 1.077 -19.123 -19.784 1.00 54.22 H new ATOM 0 HD21 ASN A 89 3.468 -18.371 -22.239 1.00 52.30 H new ATOM 0 HD22 ASN A 89 2.207 -19.452 -21.637 1.00 52.30 H new ATOM 1357 N TRP A 90 -0.004 -14.956 -19.432 1.00 64.04 N ATOM 1358 CA TRP A 90 0.247 -13.532 -19.626 1.00 23.30 C ATOM 1359 C TRP A 90 1.554 -13.114 -18.961 1.00 21.51 C ATOM 1360 O TRP A 90 2.034 -13.778 -18.040 1.00 53.15 O ATOM 1361 CB TRP A 90 -0.912 -12.708 -19.063 1.00 61.14 C ATOM 1362 CG TRP A 90 -2.253 -13.150 -19.565 1.00 53.13 C ATOM 1363 CD1 TRP A 90 -2.954 -14.253 -19.169 1.00 62.43 C ATOM 1364 CD2 TRP A 90 -3.054 -12.499 -20.558 1.00 10.34 C ATOM 1365 NE1 TRP A 90 -4.142 -14.327 -19.856 1.00 22.43 N ATOM 1366 CE2 TRP A 90 -4.228 -13.262 -20.713 1.00 24.33 C ATOM 1367 CE3 TRP A 90 -2.895 -11.344 -21.329 1.00 31.15 C ATOM 1368 CZ2 TRP A 90 -5.233 -12.907 -21.608 1.00 33.42 C ATOM 1369 CZ3 TRP A 90 -3.894 -10.993 -22.217 1.00 21.43 C ATOM 1370 CH2 TRP A 90 -5.051 -11.772 -22.350 1.00 32.21 C ATOM 0 H TRP A 90 -0.400 -15.195 -18.523 1.00 64.04 H new ATOM 0 HA TRP A 90 0.330 -13.346 -20.697 1.00 23.30 H new ATOM 0 HB2 TRP A 90 -0.900 -12.773 -17.975 1.00 61.14 H new ATOM 0 HB3 TRP A 90 -0.763 -11.660 -19.322 1.00 61.14 H new ATOM 0 HD1 TRP A 90 -2.623 -14.963 -18.425 1.00 62.43 H new ATOM 0 HE1 TRP A 90 -4.846 -15.057 -19.746 1.00 22.43 H new ATOM 0 HE3 TRP A 90 -2.007 -10.737 -21.232 1.00 31.15 H new ATOM 0 HZ2 TRP A 90 -6.125 -13.506 -21.713 1.00 33.42 H new ATOM 0 HZ3 TRP A 90 -3.781 -10.103 -22.819 1.00 21.43 H new ATOM 0 HH2 TRP A 90 -5.814 -11.471 -23.052 1.00 32.21 H new ATOM 1381 N LEU A 91 2.126 -12.012 -19.431 1.00 40.43 N ATOM 1382 CA LEU A 91 3.379 -11.505 -18.881 1.00 54.02 C ATOM 1383 C LEU A 91 3.432 -9.983 -18.962 1.00 5.31 C ATOM 1384 O LEU A 91 2.716 -9.368 -19.751 1.00 70.33 O ATOM 1385 CB LEU A 91 4.568 -12.109 -19.629 1.00 63.20 C ATOM 1386 CG LEU A 91 5.685 -12.687 -18.759 1.00 1.53 C ATOM 1387 CD1 LEU A 91 5.142 -13.774 -17.845 1.00 72.33 C ATOM 1388 CD2 LEU A 91 6.811 -13.230 -19.627 1.00 10.53 C ATOM 0 H LEU A 91 1.743 -11.452 -20.192 1.00 40.43 H new ATOM 0 HA LEU A 91 3.432 -11.797 -17.832 1.00 54.02 H new ATOM 0 HB2 LEU A 91 4.197 -12.899 -20.282 1.00 63.20 H new ATOM 0 HB3 LEU A 91 4.996 -11.340 -20.271 1.00 63.20 H new ATOM 0 HG LEU A 91 6.086 -11.886 -18.138 1.00 1.53 H new ATOM 0 HD11 LEU A 91 5.951 -14.173 -17.234 1.00 72.33 H new ATOM 0 HD12 LEU A 91 4.372 -13.354 -17.198 1.00 72.33 H new ATOM 0 HD13 LEU A 91 4.713 -14.575 -18.447 1.00 72.33 H new ATOM 0 HD21 LEU A 91 7.597 -13.637 -18.991 1.00 10.53 H new ATOM 0 HD22 LEU A 91 6.424 -14.017 -20.274 1.00 10.53 H new ATOM 0 HD23 LEU A 91 7.220 -12.425 -20.238 1.00 10.53 H new ATOM 1400 N GLU A 92 4.288 -9.382 -18.141 1.00 43.43 N ATOM 1401 CA GLU A 92 4.436 -7.931 -18.122 1.00 21.03 C ATOM 1402 C GLU A 92 5.224 -7.448 -19.336 1.00 52.02 C ATOM 1403 O GLU A 92 6.128 -8.132 -19.815 1.00 22.31 O ATOM 1404 CB GLU A 92 5.136 -7.485 -16.836 1.00 54.30 C ATOM 1405 CG GLU A 92 4.554 -8.109 -15.579 1.00 11.44 C ATOM 1406 CD GLU A 92 5.261 -9.390 -15.182 1.00 44.11 C ATOM 1407 OE1 GLU A 92 6.102 -9.872 -15.970 1.00 33.55 O ATOM 1408 OE2 GLU A 92 4.974 -9.910 -14.083 1.00 43.33 O ATOM 0 H GLU A 92 4.889 -9.877 -17.481 1.00 43.43 H new ATOM 0 HA GLU A 92 3.440 -7.489 -18.158 1.00 21.03 H new ATOM 0 HB2 GLU A 92 6.194 -7.739 -16.901 1.00 54.30 H new ATOM 0 HB3 GLU A 92 5.073 -6.400 -16.756 1.00 54.30 H new ATOM 0 HG2 GLU A 92 4.619 -7.394 -14.759 1.00 11.44 H new ATOM 0 HG3 GLU A 92 3.496 -8.317 -15.738 1.00 11.44 H new ATOM 1415 N ARG A 93 4.873 -6.265 -19.829 1.00 54.14 N ATOM 1416 CA ARG A 93 5.545 -5.691 -20.989 1.00 14.53 C ATOM 1417 C ARG A 93 5.830 -4.207 -20.772 1.00 73.23 C ATOM 1418 O ARG A 93 5.009 -3.341 -21.077 1.00 64.35 O ATOM 1419 CB ARG A 93 4.692 -5.879 -22.245 1.00 14.14 C ATOM 1420 CG ARG A 93 5.484 -5.789 -23.538 1.00 41.24 C ATOM 1421 CD ARG A 93 4.950 -6.752 -24.587 1.00 21.00 C ATOM 1422 NE ARG A 93 5.635 -6.601 -25.868 1.00 52.11 N ATOM 1423 CZ ARG A 93 5.354 -5.641 -26.743 1.00 23.24 C ATOM 1424 NH1 ARG A 93 4.408 -4.752 -26.475 1.00 41.20 N ATOM 1425 NH2 ARG A 93 6.021 -5.569 -27.887 1.00 63.44 N ATOM 0 H ARG A 93 4.127 -5.685 -19.444 1.00 54.14 H new ATOM 0 HA ARG A 93 6.494 -6.211 -21.122 1.00 14.53 H new ATOM 0 HB2 ARG A 93 4.200 -6.850 -22.197 1.00 14.14 H new ATOM 0 HB3 ARG A 93 3.906 -5.124 -22.257 1.00 14.14 H new ATOM 0 HG2 ARG A 93 5.440 -4.770 -23.922 1.00 41.24 H new ATOM 0 HG3 ARG A 93 6.533 -6.010 -23.340 1.00 41.24 H new ATOM 0 HD2 ARG A 93 5.067 -7.776 -24.232 1.00 21.00 H new ATOM 0 HD3 ARG A 93 3.882 -6.582 -24.725 1.00 21.00 H new ATOM 0 HE ARG A 93 6.369 -7.269 -26.104 1.00 52.11 H new ATOM 0 HH11 ARG A 93 3.894 -4.804 -25.596 1.00 41.20 H new ATOM 0 HH12 ARG A 93 4.194 -4.016 -27.148 1.00 41.20 H new ATOM 0 HH21 ARG A 93 6.750 -6.251 -28.096 1.00 63.44 H new ATOM 0 HH22 ARG A 93 5.805 -4.832 -28.558 1.00 63.44 H new ATOM 1439 N PRO A 94 7.020 -3.906 -20.232 1.00 51.24 N ATOM 1440 CA PRO A 94 7.441 -2.528 -19.963 1.00 12.30 C ATOM 1441 C PRO A 94 7.713 -1.744 -21.242 1.00 53.15 C ATOM 1442 O PRO A 94 8.713 -1.975 -21.922 1.00 52.22 O ATOM 1443 CB PRO A 94 8.731 -2.702 -19.158 1.00 41.31 C ATOM 1444 CG PRO A 94 9.255 -4.036 -19.565 1.00 54.34 C ATOM 1445 CD PRO A 94 8.047 -4.887 -19.844 1.00 32.11 C ATOM 0 HA PRO A 94 6.670 -1.961 -19.441 1.00 12.30 H new ATOM 0 HB2 PRO A 94 9.447 -1.911 -19.381 1.00 41.31 H new ATOM 0 HB3 PRO A 94 8.537 -2.663 -18.086 1.00 41.31 H new ATOM 0 HG2 PRO A 94 9.887 -3.954 -20.449 1.00 54.34 H new ATOM 0 HG3 PRO A 94 9.866 -4.473 -18.775 1.00 54.34 H new ATOM 0 HD2 PRO A 94 8.237 -5.606 -20.641 1.00 32.11 H new ATOM 0 HD3 PRO A 94 7.746 -5.458 -18.965 1.00 32.11 H new ATOM 1453 N ARG A 95 6.817 -0.817 -21.565 1.00 12.44 N ATOM 1454 CA ARG A 95 6.960 0.001 -22.763 1.00 64.33 C ATOM 1455 C ARG A 95 6.849 1.485 -22.426 1.00 62.30 C ATOM 1456 O ARG A 95 6.181 1.865 -21.465 1.00 33.42 O ATOM 1457 CB ARG A 95 5.898 -0.380 -23.796 1.00 13.40 C ATOM 1458 CG ARG A 95 4.523 0.193 -23.494 1.00 35.11 C ATOM 1459 CD ARG A 95 3.504 -0.220 -24.545 1.00 1.00 C ATOM 1460 NE ARG A 95 3.910 0.183 -25.889 1.00 22.03 N ATOM 1461 CZ ARG A 95 4.607 -0.594 -26.710 1.00 24.42 C ATOM 1462 NH1 ARG A 95 4.974 -1.810 -26.326 1.00 55.43 N ATOM 1463 NH2 ARG A 95 4.939 -0.157 -27.918 1.00 3.33 N ATOM 0 H ARG A 95 5.984 -0.614 -21.013 1.00 12.44 H new ATOM 0 HA ARG A 95 7.949 -0.185 -23.183 1.00 64.33 H new ATOM 0 HB2 ARG A 95 6.219 -0.035 -24.779 1.00 13.40 H new ATOM 0 HB3 ARG A 95 5.826 -1.466 -23.848 1.00 13.40 H new ATOM 0 HG2 ARG A 95 4.193 -0.148 -22.512 1.00 35.11 H new ATOM 0 HG3 ARG A 95 4.582 1.281 -23.451 1.00 35.11 H new ATOM 0 HD2 ARG A 95 3.371 -1.301 -24.516 1.00 1.00 H new ATOM 0 HD3 ARG A 95 2.538 0.227 -24.309 1.00 1.00 H new ATOM 0 HE ARG A 95 3.644 1.112 -26.215 1.00 22.03 H new ATOM 0 HH11 ARG A 95 4.721 -2.150 -25.398 1.00 55.43 H new ATOM 0 HH12 ARG A 95 5.509 -2.405 -26.959 1.00 55.43 H new ATOM 0 HH21 ARG A 95 4.659 0.777 -28.217 1.00 3.33 H new ATOM 0 HH22 ARG A 95 5.474 -0.755 -28.547 1.00 3.33 H new ATOM 1477 N SER A 96 7.509 2.319 -23.223 1.00 62.43 N ATOM 1478 CA SER A 96 7.488 3.760 -23.007 1.00 42.50 C ATOM 1479 C SER A 96 6.754 4.469 -24.141 1.00 50.31 C ATOM 1480 O SER A 96 7.119 4.338 -25.310 1.00 52.23 O ATOM 1481 CB SER A 96 8.915 4.301 -22.891 1.00 52.05 C ATOM 1482 OG SER A 96 9.862 3.247 -22.895 1.00 35.40 O ATOM 0 H SER A 96 8.065 2.021 -24.024 1.00 62.43 H new ATOM 0 HA SER A 96 6.956 3.955 -22.076 1.00 42.50 H new ATOM 0 HB2 SER A 96 9.118 4.980 -23.719 1.00 52.05 H new ATOM 0 HB3 SER A 96 9.014 4.880 -21.973 1.00 52.05 H new ATOM 0 HG SER A 96 10.766 3.619 -22.821 1.00 35.40 H new ATOM 1488 N LEU A 97 5.717 5.221 -23.787 1.00 61.44 N ATOM 1489 CA LEU A 97 4.930 5.952 -24.774 1.00 72.53 C ATOM 1490 C LEU A 97 5.492 7.353 -24.990 1.00 64.23 C ATOM 1491 O LEU A 97 5.329 8.236 -24.148 1.00 50.42 O ATOM 1492 CB LEU A 97 3.470 6.039 -24.327 1.00 55.23 C ATOM 1493 CG LEU A 97 2.906 4.802 -23.628 1.00 22.50 C ATOM 1494 CD1 LEU A 97 1.420 4.973 -23.354 1.00 2.20 C ATOM 1495 CD2 LEU A 97 3.156 3.556 -24.466 1.00 35.24 C ATOM 0 H LEU A 97 5.402 5.340 -22.824 1.00 61.44 H new ATOM 0 HA LEU A 97 4.983 5.410 -25.718 1.00 72.53 H new ATOM 0 HB2 LEU A 97 3.367 6.890 -23.654 1.00 55.23 H new ATOM 0 HB3 LEU A 97 2.855 6.249 -25.202 1.00 55.23 H new ATOM 0 HG LEU A 97 3.418 4.683 -22.673 1.00 22.50 H new ATOM 0 HD11 LEU A 97 1.037 4.082 -22.856 1.00 2.20 H new ATOM 0 HD12 LEU A 97 1.266 5.841 -22.714 1.00 2.20 H new ATOM 0 HD13 LEU A 97 0.891 5.118 -24.296 1.00 2.20 H new ATOM 0 HD21 LEU A 97 2.748 2.685 -23.953 1.00 35.24 H new ATOM 0 HD22 LEU A 97 2.671 3.666 -25.436 1.00 35.24 H new ATOM 0 HD23 LEU A 97 4.228 3.423 -24.610 1.00 35.24 H new ATOM 1507 N THR A 98 6.155 7.551 -26.126 1.00 74.40 N ATOM 1508 CA THR A 98 6.740 8.844 -26.454 1.00 4.22 C ATOM 1509 C THR A 98 5.668 9.844 -26.869 1.00 54.23 C ATOM 1510 O THR A 98 4.673 9.478 -27.497 1.00 12.21 O ATOM 1511 CB THR A 98 7.777 8.721 -27.586 1.00 62.43 C ATOM 1512 OG1 THR A 98 7.163 8.165 -28.754 1.00 70.23 O ATOM 1513 CG2 THR A 98 8.946 7.847 -27.157 1.00 71.50 C ATOM 0 H THR A 98 6.300 6.831 -26.834 1.00 74.40 H new ATOM 0 HA THR A 98 7.238 9.203 -25.553 1.00 4.22 H new ATOM 0 HB THR A 98 8.154 9.718 -27.813 1.00 62.43 H new ATOM 0 HG1 THR A 98 7.828 8.092 -29.470 1.00 70.23 H new ATOM 0 HG21 THR A 98 9.665 7.775 -27.973 1.00 71.50 H new ATOM 0 HG22 THR A 98 9.429 8.288 -26.285 1.00 71.50 H new ATOM 0 HG23 THR A 98 8.582 6.851 -26.905 1.00 71.50 H new ATOM 1521 N LEU A 99 5.875 11.108 -26.517 1.00 21.03 N ATOM 1522 CA LEU A 99 4.925 12.162 -26.854 1.00 41.41 C ATOM 1523 C LEU A 99 4.601 12.146 -28.344 1.00 54.54 C ATOM 1524 O LEU A 99 5.476 11.920 -29.179 1.00 65.04 O ATOM 1525 CB LEU A 99 5.487 13.529 -26.457 1.00 63.44 C ATOM 1526 CG LEU A 99 4.464 14.568 -25.999 1.00 52.35 C ATOM 1527 CD1 LEU A 99 4.527 14.751 -24.491 1.00 43.31 C ATOM 1528 CD2 LEU A 99 4.696 15.894 -26.710 1.00 31.03 C ATOM 0 H LEU A 99 6.693 11.428 -25.998 1.00 21.03 H new ATOM 0 HA LEU A 99 4.005 11.979 -26.299 1.00 41.41 H new ATOM 0 HB2 LEU A 99 6.211 13.383 -25.655 1.00 63.44 H new ATOM 0 HB3 LEU A 99 6.033 13.936 -27.308 1.00 63.44 H new ATOM 0 HG LEU A 99 3.468 14.209 -26.259 1.00 52.35 H new ATOM 0 HD11 LEU A 99 3.792 15.494 -24.184 1.00 43.31 H new ATOM 0 HD12 LEU A 99 4.311 13.802 -24.000 1.00 43.31 H new ATOM 0 HD13 LEU A 99 5.524 15.088 -24.207 1.00 43.31 H new ATOM 0 HD21 LEU A 99 3.959 16.622 -26.372 1.00 31.03 H new ATOM 0 HD22 LEU A 99 5.697 16.259 -26.482 1.00 31.03 H new ATOM 0 HD23 LEU A 99 4.598 15.752 -27.786 1.00 31.03 H new