USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 588 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 76 ASN : amide:sc= 0.244 K(o=0.54,f=-0.019) USER MOD Set 1.2: A 80 GLN :FLIP amide:sc= 0.301 F(o=-0.019,f=0.54) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= 0.643 K(o=0.64,f=-3.5!) USER MOD Single : A 24 GLN : amide:sc=-0.00348 K(o=-0.0035,f=-0.96) USER MOD Single : A 26 LYS NZ :NH3+ 136:sc= -0.529 (180deg=-3.58!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc=-0.00409 (180deg=-0.0912) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -63:sc= -1.67! USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= 2.57 (180deg=2) USER MOD Single : A 47 LYS NZ :NH3+ -126:sc= 0.401 (180deg=-0.974) USER MOD Single : A 49 MET CE :methyl 146:sc= -2.72! (180deg=-4.47!) USER MOD Single : A 53 CYS SG : rot 45:sc= -2.62 USER MOD Single : A 54 ASN : amide:sc= 0.23 K(o=0.23,f=-2.9!) USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -46:sc= 0.52 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00242 USER MOD Single : A 92 MET CE :methyl -160:sc= 0 (180deg=-0.51) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 268 N HIS A 22 37.493 5.874 -13.708 1.00 3.23 N ATOM 269 CA HIS A 22 37.570 7.242 -14.178 1.00 12.43 C ATOM 270 C HIS A 22 38.518 7.327 -15.360 1.00 51.25 C ATOM 271 O HIS A 22 39.370 6.460 -15.546 1.00 12.05 O ATOM 272 CB HIS A 22 38.040 8.180 -13.057 1.00 71.14 C ATOM 273 CG HIS A 22 37.104 8.243 -11.887 1.00 44.35 C ATOM 274 ND1 HIS A 22 35.741 8.390 -12.020 1.00 50.21 N ATOM 275 CD2 HIS A 22 37.343 8.175 -10.558 1.00 44.15 C ATOM 276 CE1 HIS A 22 35.184 8.410 -10.826 1.00 41.13 C ATOM 277 NE2 HIS A 22 36.133 8.280 -9.919 1.00 12.14 N ATOM 0 HA HIS A 22 36.574 7.557 -14.491 1.00 12.43 H new ATOM 0 HB2 HIS A 22 39.020 7.853 -12.709 1.00 71.14 H new ATOM 0 HB3 HIS A 22 38.165 9.183 -13.464 1.00 71.14 H new ATOM 0 HD1 HIS A 22 35.241 8.471 -12.905 1.00 50.21 H new ATOM 0 HD2 HIS A 22 38.308 8.059 -10.086 1.00 44.15 H new ATOM 0 HE1 HIS A 22 34.128 8.515 -10.624 1.00 41.13 H new ATOM 286 N ILE A 23 38.365 8.375 -16.150 1.00 0.22 N ATOM 287 CA ILE A 23 39.191 8.574 -17.328 1.00 11.25 C ATOM 288 C ILE A 23 40.126 9.755 -17.077 1.00 22.25 C ATOM 289 O ILE A 23 39.925 10.503 -16.123 1.00 42.51 O ATOM 290 CB ILE A 23 38.306 8.819 -18.578 1.00 3.34 C ATOM 291 CG1 ILE A 23 37.224 7.737 -18.672 1.00 25.13 C ATOM 292 CG2 ILE A 23 39.139 8.830 -19.854 1.00 32.34 C ATOM 293 CD1 ILE A 23 36.284 7.907 -19.847 1.00 44.31 C ATOM 0 H ILE A 23 37.671 9.106 -15.995 1.00 0.22 H new ATOM 0 HA ILE A 23 39.784 7.680 -17.519 1.00 11.25 H new ATOM 0 HB ILE A 23 37.836 9.797 -18.472 1.00 3.34 H new ATOM 0 HG12 ILE A 23 37.705 6.762 -18.743 1.00 25.13 H new ATOM 0 HG13 ILE A 23 36.642 7.739 -17.751 1.00 25.13 H new ATOM 0 HG21 ILE A 23 38.489 9.004 -20.711 1.00 32.34 H new ATOM 0 HG22 ILE A 23 39.883 9.624 -19.796 1.00 32.34 H new ATOM 0 HG23 ILE A 23 39.642 7.870 -19.969 1.00 32.34 H new ATOM 0 HD11 ILE A 23 35.548 7.103 -19.844 1.00 44.31 H new ATOM 0 HD12 ILE A 23 35.773 8.867 -19.768 1.00 44.31 H new ATOM 0 HD13 ILE A 23 36.853 7.874 -20.776 1.00 44.31 H new ATOM 305 N GLN A 24 41.129 9.927 -17.919 1.00 71.43 N ATOM 306 CA GLN A 24 42.163 10.929 -17.693 1.00 11.44 C ATOM 307 C GLN A 24 42.608 11.530 -19.012 1.00 52.41 C ATOM 308 O GLN A 24 42.788 10.813 -19.999 1.00 4.25 O ATOM 309 CB GLN A 24 43.381 10.311 -17.004 1.00 34.22 C ATOM 310 CG GLN A 24 44.351 11.342 -16.443 1.00 45.54 C ATOM 311 CD GLN A 24 45.682 10.741 -16.030 1.00 43.44 C ATOM 312 OE1 GLN A 24 46.149 9.767 -16.617 1.00 20.15 O ATOM 313 NE2 GLN A 24 46.305 11.321 -15.018 1.00 11.15 N ATOM 0 H GLN A 24 41.252 9.383 -18.773 1.00 71.43 H new ATOM 0 HA GLN A 24 41.740 11.703 -17.053 1.00 11.44 H new ATOM 0 HB2 GLN A 24 43.041 9.665 -16.194 1.00 34.22 H new ATOM 0 HB3 GLN A 24 43.909 9.678 -17.717 1.00 34.22 H new ATOM 0 HG2 GLN A 24 44.524 12.115 -17.192 1.00 45.54 H new ATOM 0 HG3 GLN A 24 43.896 11.830 -15.581 1.00 45.54 H new ATOM 0 HE21 GLN A 24 45.886 12.128 -14.556 1.00 11.15 H new ATOM 0 HE22 GLN A 24 47.205 10.962 -14.700 1.00 11.15 H new ATOM 322 N VAL A 25 42.796 12.836 -19.018 1.00 72.33 N ATOM 323 CA VAL A 25 43.286 13.532 -20.189 1.00 2.21 C ATOM 324 C VAL A 25 44.066 14.772 -19.770 1.00 52.41 C ATOM 325 O VAL A 25 43.707 15.452 -18.813 1.00 50.52 O ATOM 326 CB VAL A 25 42.133 13.934 -21.137 1.00 44.32 C ATOM 327 CG1 VAL A 25 41.190 14.918 -20.467 1.00 41.00 C ATOM 328 CG2 VAL A 25 42.676 14.508 -22.433 1.00 73.23 C ATOM 0 H VAL A 25 42.614 13.440 -18.216 1.00 72.33 H new ATOM 0 HA VAL A 25 43.943 12.851 -20.729 1.00 2.21 H new ATOM 0 HB VAL A 25 41.566 13.034 -21.373 1.00 44.32 H new ATOM 0 HG11 VAL A 25 40.389 15.183 -21.158 1.00 41.00 H new ATOM 0 HG12 VAL A 25 40.763 14.462 -19.574 1.00 41.00 H new ATOM 0 HG13 VAL A 25 41.740 15.817 -20.188 1.00 41.00 H new ATOM 0 HG21 VAL A 25 41.847 14.784 -23.084 1.00 73.23 H new ATOM 0 HG22 VAL A 25 43.277 15.391 -22.216 1.00 73.23 H new ATOM 0 HG23 VAL A 25 43.295 13.761 -22.930 1.00 73.23 H new ATOM 338 N LYS A 26 45.149 15.049 -20.462 1.00 74.44 N ATOM 339 CA LYS A 26 45.927 16.242 -20.188 1.00 34.43 C ATOM 340 C LYS A 26 45.622 17.302 -21.225 1.00 4.33 C ATOM 341 O LYS A 26 45.794 17.079 -22.416 1.00 44.10 O ATOM 342 CB LYS A 26 47.418 15.920 -20.158 1.00 54.54 C ATOM 343 CG LYS A 26 47.973 15.846 -18.747 1.00 22.30 C ATOM 344 CD LYS A 26 49.461 15.506 -18.707 1.00 20.41 C ATOM 345 CE LYS A 26 49.755 14.073 -19.149 1.00 55.05 C ATOM 346 NZ LYS A 26 49.639 13.894 -20.621 1.00 31.31 N1+ ATOM 0 H LYS A 26 45.512 14.468 -21.217 1.00 74.44 H new ATOM 0 HA LYS A 26 45.652 16.625 -19.206 1.00 34.43 H new ATOM 0 HB2 LYS A 26 47.590 14.969 -20.662 1.00 54.54 H new ATOM 0 HB3 LYS A 26 47.961 16.681 -20.718 1.00 54.54 H new ATOM 0 HG2 LYS A 26 47.811 16.802 -18.248 1.00 22.30 H new ATOM 0 HG3 LYS A 26 47.419 15.095 -18.184 1.00 22.30 H new ATOM 0 HD2 LYS A 26 50.004 16.198 -19.350 1.00 20.41 H new ATOM 0 HD3 LYS A 26 49.835 15.652 -17.694 1.00 20.41 H new ATOM 0 HE2 LYS A 26 50.761 13.798 -18.831 1.00 55.05 H new ATOM 0 HE3 LYS A 26 49.065 13.393 -18.648 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 50.441 13.328 -20.966 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 48.749 13.404 -20.842 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 49.646 14.824 -21.086 1.00 31.31 H new ATOM 360 N VAL A 27 45.188 18.466 -20.773 1.00 15.45 N ATOM 361 CA VAL A 27 44.802 19.501 -21.674 1.00 72.53 C ATOM 362 C VAL A 27 45.958 20.454 -21.707 1.00 72.32 C ATOM 363 O VAL A 27 46.122 21.293 -20.818 1.00 14.32 O ATOM 364 CB VAL A 27 43.475 20.198 -21.259 1.00 61.10 C ATOM 365 CG1 VAL A 27 43.178 21.388 -22.157 1.00 55.43 C ATOM 366 CG2 VAL A 27 42.324 19.205 -21.309 1.00 73.33 C ATOM 0 H VAL A 27 45.099 18.704 -19.785 1.00 15.45 H new ATOM 0 HA VAL A 27 44.589 19.097 -22.664 1.00 72.53 H new ATOM 0 HB VAL A 27 43.588 20.563 -20.238 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.245 21.856 -21.844 1.00 55.43 H new ATOM 0 HG12 VAL A 27 43.990 22.112 -22.082 1.00 55.43 H new ATOM 0 HG13 VAL A 27 43.086 21.051 -23.189 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.400 19.704 -21.017 1.00 73.33 H new ATOM 0 HG22 VAL A 27 42.222 18.817 -22.323 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.524 18.381 -20.624 1.00 73.33 H new ATOM 376 N ARG A 28 46.808 20.259 -22.696 1.00 64.53 N ATOM 377 CA ARG A 28 48.044 20.979 -22.769 1.00 65.22 C ATOM 378 C ARG A 28 47.739 22.407 -23.044 1.00 63.41 C ATOM 379 O ARG A 28 47.321 22.779 -24.140 1.00 71.22 O ATOM 380 CB ARG A 28 48.961 20.412 -23.849 1.00 24.25 C ATOM 381 CG ARG A 28 50.091 21.343 -24.267 1.00 22.13 C ATOM 382 CD ARG A 28 50.946 20.687 -25.326 1.00 44.34 C ATOM 383 NE ARG A 28 51.928 21.602 -25.904 1.00 65.10 N ATOM 384 CZ ARG A 28 52.068 21.798 -27.215 1.00 45.54 C ATOM 385 NH1 ARG A 28 51.272 21.167 -28.065 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 52.983 22.644 -27.671 1.00 23.30 N ATOM 0 H ARG A 28 46.655 19.601 -23.460 1.00 64.53 H new ATOM 0 HA ARG A 28 48.571 20.881 -21.820 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.391 19.477 -23.489 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.362 20.170 -24.727 1.00 24.25 H new ATOM 0 HG2 ARG A 28 49.679 22.277 -24.649 1.00 22.13 H new ATOM 0 HG3 ARG A 28 50.703 21.595 -23.401 1.00 22.13 H new ATOM 0 HD2 ARG A 28 51.464 19.832 -24.891 1.00 44.34 H new ATOM 0 HD3 ARG A 28 50.304 20.302 -26.118 1.00 44.34 H new ATOM 0 HE ARG A 28 52.539 22.118 -25.271 1.00 65.10 H new ATOM 0 HH11 ARG A 28 50.554 20.533 -27.716 1.00 33.24 H new ATOM 0 HH12 ARG A 28 51.377 21.316 -29.069 1.00 33.24 H new ATOM 0 HH21 ARG A 28 53.583 23.147 -27.017 1.00 23.30 H new ATOM 0 HH22 ARG A 28 53.087 22.791 -28.675 1.00 23.30 H new ATOM 400 N SER A 29 47.877 23.196 -22.014 1.00 62.33 N ATOM 401 CA SER A 29 47.750 24.599 -22.178 1.00 61.53 C ATOM 402 C SER A 29 48.875 25.055 -23.108 1.00 72.53 C ATOM 403 O SER A 29 50.003 24.558 -22.989 1.00 31.23 O ATOM 404 CB SER A 29 47.798 25.289 -20.818 1.00 54.21 C ATOM 405 OG SER A 29 46.656 24.957 -20.048 1.00 31.13 O ATOM 0 H SER A 29 48.076 22.885 -21.063 1.00 62.33 H new ATOM 0 HA SER A 29 46.792 24.866 -22.624 1.00 61.53 H new ATOM 0 HB2 SER A 29 48.701 24.991 -20.285 1.00 54.21 H new ATOM 0 HB3 SER A 29 47.850 26.369 -20.954 1.00 54.21 H new ATOM 0 HG SER A 29 46.705 25.407 -19.179 1.00 31.13 H new ATOM 411 N PRO A 30 48.590 25.982 -24.043 1.00 15.42 N ATOM 412 CA PRO A 30 49.484 26.299 -25.180 1.00 23.11 C ATOM 413 C PRO A 30 50.795 26.984 -24.789 1.00 5.11 C ATOM 414 O PRO A 30 51.335 27.789 -25.547 1.00 72.52 O ATOM 415 CB PRO A 30 48.635 27.244 -26.034 1.00 45.42 C ATOM 416 CG PRO A 30 47.692 27.875 -25.074 1.00 63.25 C ATOM 417 CD PRO A 30 47.371 26.811 -24.062 1.00 61.25 C ATOM 0 HA PRO A 30 49.808 25.386 -25.680 1.00 23.11 H new ATOM 0 HB2 PRO A 30 49.253 27.991 -26.531 1.00 45.42 H new ATOM 0 HB3 PRO A 30 48.102 26.701 -26.814 1.00 45.42 H new ATOM 0 HG2 PRO A 30 48.142 28.746 -24.597 1.00 63.25 H new ATOM 0 HG3 PRO A 30 46.790 28.219 -25.580 1.00 63.25 H new ATOM 0 HD2 PRO A 30 47.160 27.239 -23.082 1.00 61.25 H new ATOM 0 HD3 PRO A 30 46.495 26.231 -24.352 1.00 61.25 H new ATOM 425 N ASP A 31 51.318 26.636 -23.629 1.00 62.14 N ATOM 426 CA ASP A 31 52.574 27.195 -23.157 1.00 43.34 C ATOM 427 C ASP A 31 53.485 26.073 -22.684 1.00 13.04 C ATOM 428 O ASP A 31 54.592 26.302 -22.201 1.00 21.24 O ATOM 429 CB ASP A 31 52.315 28.195 -22.023 1.00 0.44 C ATOM 430 CG ASP A 31 53.550 28.987 -21.639 1.00 63.12 C ATOM 431 OD1 ASP A 31 53.945 29.890 -22.408 1.00 44.23 O ATOM 432 OD2 ASP A 31 54.120 28.728 -20.558 1.00 12.51 O1- ATOM 0 H ASP A 31 50.891 25.964 -22.991 1.00 62.14 H new ATOM 0 HA ASP A 31 53.063 27.725 -23.974 1.00 43.34 H new ATOM 0 HB2 ASP A 31 51.528 28.885 -22.327 1.00 0.44 H new ATOM 0 HB3 ASP A 31 51.948 27.658 -21.149 1.00 0.44 H new ATOM 437 N GLY A 32 53.015 24.849 -22.852 1.00 1.23 N ATOM 438 CA GLY A 32 53.724 23.708 -22.316 1.00 64.22 C ATOM 439 C GLY A 32 53.239 23.378 -20.923 1.00 54.14 C ATOM 440 O GLY A 32 53.896 22.661 -20.170 1.00 43.15 O ATOM 0 H GLY A 32 52.154 24.624 -23.351 1.00 1.23 H new ATOM 0 HA2 GLY A 32 53.582 22.847 -22.969 1.00 64.22 H new ATOM 0 HA3 GLY A 32 54.794 23.917 -22.293 1.00 64.22 H new ATOM 444 N ALA A 33 52.080 23.918 -20.581 1.00 1.31 N ATOM 445 CA ALA A 33 51.475 23.672 -19.285 1.00 44.21 C ATOM 446 C ALA A 33 50.403 22.604 -19.412 1.00 14.20 C ATOM 447 O ALA A 33 49.206 22.895 -19.430 1.00 2.30 O ATOM 448 CB ALA A 33 50.901 24.958 -18.705 1.00 42.23 C ATOM 0 H ALA A 33 51.538 24.533 -21.188 1.00 1.31 H new ATOM 0 HA ALA A 33 52.242 23.314 -18.598 1.00 44.21 H new ATOM 0 HB1 ALA A 33 50.452 24.751 -17.733 1.00 42.23 H new ATOM 0 HB2 ALA A 33 51.698 25.692 -18.587 1.00 42.23 H new ATOM 0 HB3 ALA A 33 50.141 25.353 -19.379 1.00 42.23 H new ATOM 454 N GLU A 34 50.837 21.369 -19.551 1.00 63.03 N ATOM 455 CA GLU A 34 49.916 20.271 -19.745 1.00 51.32 C ATOM 456 C GLU A 34 49.462 19.734 -18.396 1.00 22.55 C ATOM 457 O GLU A 34 50.201 19.024 -17.714 1.00 43.25 O ATOM 458 CB GLU A 34 50.581 19.178 -20.579 1.00 4.31 C ATOM 459 CG GLU A 34 49.612 18.170 -21.159 1.00 43.11 C ATOM 460 CD GLU A 34 50.285 17.197 -22.103 1.00 11.42 C ATOM 461 OE1 GLU A 34 50.557 16.055 -21.687 1.00 70.41 O ATOM 462 OE2 GLU A 34 50.547 17.570 -23.265 1.00 0.35 O1- ATOM 0 H GLU A 34 51.821 21.101 -19.533 1.00 63.03 H new ATOM 0 HA GLU A 34 49.037 20.623 -20.285 1.00 51.32 H new ATOM 0 HB2 GLU A 34 51.136 19.644 -21.394 1.00 4.31 H new ATOM 0 HB3 GLU A 34 51.307 18.653 -19.958 1.00 4.31 H new ATOM 0 HG2 GLU A 34 49.139 17.616 -20.348 1.00 43.11 H new ATOM 0 HG3 GLU A 34 48.819 18.697 -21.690 1.00 43.11 H new ATOM 469 N VAL A 35 48.252 20.098 -18.005 1.00 72.24 N ATOM 470 CA VAL A 35 47.725 19.713 -16.705 1.00 1.04 C ATOM 471 C VAL A 35 46.747 18.561 -16.869 1.00 15.44 C ATOM 472 O VAL A 35 45.929 18.561 -17.791 1.00 34.34 O ATOM 473 CB VAL A 35 47.023 20.900 -16.009 1.00 73.02 C ATOM 474 CG1 VAL A 35 46.492 20.493 -14.640 1.00 43.24 C ATOM 475 CG2 VAL A 35 47.976 22.083 -15.880 1.00 72.21 C ATOM 0 H VAL A 35 47.615 20.660 -18.569 1.00 72.24 H new ATOM 0 HA VAL A 35 48.561 19.400 -16.079 1.00 1.04 H new ATOM 0 HB VAL A 35 46.176 21.201 -16.626 1.00 73.02 H new ATOM 0 HG11 VAL A 35 46.002 21.347 -14.171 1.00 43.24 H new ATOM 0 HG12 VAL A 35 45.774 19.681 -14.755 1.00 43.24 H new ATOM 0 HG13 VAL A 35 47.319 20.160 -14.013 1.00 43.24 H new ATOM 0 HG21 VAL A 35 47.465 22.910 -15.387 1.00 72.21 H new ATOM 0 HG22 VAL A 35 48.843 21.789 -15.289 1.00 72.21 H new ATOM 0 HG23 VAL A 35 48.302 22.397 -16.871 1.00 72.21 H new ATOM 485 N PHE A 36 46.852 17.573 -15.992 1.00 22.41 N ATOM 486 CA PHE A 36 46.016 16.393 -16.086 1.00 15.50 C ATOM 487 C PHE A 36 44.635 16.650 -15.504 1.00 3.00 C ATOM 488 O PHE A 36 44.488 17.029 -14.344 1.00 12.52 O ATOM 489 CB PHE A 36 46.682 15.183 -15.410 1.00 12.44 C ATOM 490 CG PHE A 36 47.060 15.389 -13.968 1.00 61.13 C ATOM 491 CD1 PHE A 36 48.242 16.031 -13.630 1.00 3.24 C ATOM 492 CD2 PHE A 36 46.238 14.926 -12.950 1.00 5.12 C ATOM 493 CE1 PHE A 36 48.595 16.212 -12.307 1.00 63.02 C ATOM 494 CE2 PHE A 36 46.587 15.104 -11.626 1.00 41.31 C ATOM 495 CZ PHE A 36 47.767 15.747 -11.304 1.00 34.21 C ATOM 0 H PHE A 36 47.507 17.568 -15.210 1.00 22.41 H new ATOM 0 HA PHE A 36 45.895 16.159 -17.144 1.00 15.50 H new ATOM 0 HB2 PHE A 36 46.005 14.331 -15.474 1.00 12.44 H new ATOM 0 HB3 PHE A 36 47.579 14.920 -15.971 1.00 12.44 H new ATOM 0 HD1 PHE A 36 48.894 16.394 -14.411 1.00 3.24 H new ATOM 0 HD2 PHE A 36 45.316 14.421 -13.196 1.00 5.12 H new ATOM 0 HE1 PHE A 36 49.517 16.716 -12.057 1.00 63.02 H new ATOM 0 HE2 PHE A 36 45.938 14.741 -10.843 1.00 41.31 H new ATOM 0 HZ PHE A 36 48.042 15.886 -10.269 1.00 34.21 H new ATOM 505 N PHE A 37 43.633 16.462 -16.334 1.00 25.01 N ATOM 506 CA PHE A 37 42.259 16.549 -15.907 1.00 62.04 C ATOM 507 C PHE A 37 41.650 15.166 -16.060 1.00 14.13 C ATOM 508 O PHE A 37 42.232 14.308 -16.723 1.00 31.45 O ATOM 509 CB PHE A 37 41.505 17.593 -16.739 1.00 14.23 C ATOM 510 CG PHE A 37 40.169 17.986 -16.166 1.00 31.32 C ATOM 511 CD1 PHE A 37 40.058 18.386 -14.845 1.00 22.33 C ATOM 512 CD2 PHE A 37 39.031 17.963 -16.951 1.00 54.35 C ATOM 513 CE1 PHE A 37 38.835 18.755 -14.318 1.00 21.44 C ATOM 514 CE2 PHE A 37 37.804 18.330 -16.431 1.00 51.45 C ATOM 515 CZ PHE A 37 37.707 18.725 -15.112 1.00 44.14 C ATOM 0 H PHE A 37 43.750 16.245 -17.324 1.00 25.01 H new ATOM 0 HA PHE A 37 42.192 16.870 -14.867 1.00 62.04 H new ATOM 0 HB2 PHE A 37 42.125 18.485 -16.832 1.00 14.23 H new ATOM 0 HB3 PHE A 37 41.356 17.202 -17.745 1.00 14.23 H new ATOM 0 HD1 PHE A 37 40.938 18.410 -14.219 1.00 22.33 H new ATOM 0 HD2 PHE A 37 39.102 17.654 -17.984 1.00 54.35 H new ATOM 0 HE1 PHE A 37 38.762 19.066 -13.286 1.00 21.44 H new ATOM 0 HE2 PHE A 37 36.923 18.308 -17.055 1.00 51.45 H new ATOM 0 HZ PHE A 37 36.749 19.010 -14.702 1.00 44.14 H new ATOM 525 N LYS A 38 40.504 14.921 -15.464 1.00 43.23 N ATOM 526 CA LYS A 38 39.978 13.572 -15.449 1.00 35.22 C ATOM 527 C LYS A 38 38.484 13.537 -15.692 1.00 51.03 C ATOM 528 O LYS A 38 37.801 14.566 -15.671 1.00 30.24 O ATOM 529 CB LYS A 38 40.333 12.867 -14.134 1.00 15.03 C ATOM 530 CG LYS A 38 39.986 13.652 -12.880 1.00 64.22 C ATOM 531 CD LYS A 38 40.421 12.900 -11.634 1.00 33.25 C ATOM 532 CE LYS A 38 40.252 13.741 -10.380 1.00 40.42 C ATOM 533 NZ LYS A 38 40.744 13.031 -9.171 1.00 40.01 N1+ ATOM 0 H LYS A 38 39.929 15.619 -14.993 1.00 43.23 H new ATOM 0 HA LYS A 38 40.448 13.034 -16.272 1.00 35.22 H new ATOM 0 HB2 LYS A 38 39.816 11.908 -14.101 1.00 15.03 H new ATOM 0 HB3 LYS A 38 41.402 12.654 -14.129 1.00 15.03 H new ATOM 0 HG2 LYS A 38 40.472 14.627 -12.910 1.00 64.22 H new ATOM 0 HG3 LYS A 38 38.912 13.833 -12.844 1.00 64.22 H new ATOM 0 HD2 LYS A 38 39.837 11.985 -11.539 1.00 33.25 H new ATOM 0 HD3 LYS A 38 41.465 12.603 -11.735 1.00 33.25 H new ATOM 0 HE2 LYS A 38 40.793 14.680 -10.496 1.00 40.42 H new ATOM 0 HE3 LYS A 38 39.200 13.994 -10.250 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 40.612 13.636 -8.335 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 40.210 12.147 -9.046 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 41.754 12.812 -9.284 1.00 40.01 H new ATOM 547 N ILE A 39 37.992 12.335 -15.924 1.00 41.44 N ATOM 548 CA ILE A 39 36.595 12.115 -16.205 1.00 3.01 C ATOM 549 C ILE A 39 35.972 11.307 -15.071 1.00 15.21 C ATOM 550 O ILE A 39 36.551 10.325 -14.615 1.00 30.24 O ATOM 551 CB ILE A 39 36.419 11.382 -17.554 1.00 12.45 C ATOM 552 CG1 ILE A 39 36.961 12.251 -18.693 1.00 11.22 C ATOM 553 CG2 ILE A 39 34.962 11.031 -17.800 1.00 43.02 C ATOM 554 CD1 ILE A 39 36.799 11.637 -20.067 1.00 42.02 C ATOM 0 H ILE A 39 38.555 11.485 -15.922 1.00 41.44 H new ATOM 0 HA ILE A 39 36.090 13.078 -16.279 1.00 3.01 H new ATOM 0 HB ILE A 39 36.984 10.451 -17.517 1.00 12.45 H new ATOM 0 HG12 ILE A 39 36.452 13.215 -18.675 1.00 11.22 H new ATOM 0 HG13 ILE A 39 38.019 12.446 -18.516 1.00 11.22 H new ATOM 0 HG21 ILE A 39 34.868 10.516 -18.756 1.00 43.02 H new ATOM 0 HG22 ILE A 39 34.604 10.381 -17.001 1.00 43.02 H new ATOM 0 HG23 ILE A 39 34.366 11.944 -17.819 1.00 43.02 H new ATOM 0 HD11 ILE A 39 37.207 12.313 -20.818 1.00 42.02 H new ATOM 0 HD12 ILE A 39 37.332 10.687 -20.106 1.00 42.02 H new ATOM 0 HD13 ILE A 39 35.741 11.468 -20.268 1.00 42.02 H new ATOM 566 N LYS A 40 34.799 11.724 -14.621 1.00 5.12 N ATOM 567 CA LYS A 40 34.161 11.093 -13.474 1.00 34.14 C ATOM 568 C LYS A 40 33.274 9.949 -13.937 1.00 65.10 C ATOM 569 O LYS A 40 33.673 8.788 -13.909 1.00 60.22 O ATOM 570 CB LYS A 40 33.339 12.117 -12.684 1.00 24.04 C ATOM 571 CG LYS A 40 34.161 13.281 -12.152 1.00 24.31 C ATOM 572 CD LYS A 40 33.276 14.357 -11.541 1.00 53.32 C ATOM 573 CE LYS A 40 32.538 13.862 -10.303 1.00 24.33 C ATOM 574 NZ LYS A 40 33.467 13.558 -9.180 1.00 41.13 N1+ ATOM 0 H LYS A 40 34.270 12.494 -15.030 1.00 5.12 H new ATOM 0 HA LYS A 40 34.936 10.696 -12.818 1.00 34.14 H new ATOM 0 HB2 LYS A 40 32.547 12.506 -13.324 1.00 24.04 H new ATOM 0 HB3 LYS A 40 32.855 11.613 -11.847 1.00 24.04 H new ATOM 0 HG2 LYS A 40 34.864 12.918 -11.402 1.00 24.31 H new ATOM 0 HG3 LYS A 40 34.751 13.711 -12.961 1.00 24.31 H new ATOM 0 HD2 LYS A 40 33.887 15.220 -11.277 1.00 53.32 H new ATOM 0 HD3 LYS A 40 32.552 14.694 -12.283 1.00 53.32 H new ATOM 0 HE2 LYS A 40 31.820 14.617 -9.984 1.00 24.33 H new ATOM 0 HE3 LYS A 40 31.969 12.967 -10.555 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 32.918 13.372 -8.316 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 34.035 12.719 -9.416 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 34.098 14.370 -9.022 1.00 41.13 H new ATOM 588 N ARG A 41 32.074 10.299 -14.366 1.00 61.11 N ATOM 589 CA ARG A 41 31.172 9.357 -15.000 1.00 55.41 C ATOM 590 C ARG A 41 31.238 9.613 -16.500 1.00 11.40 C ATOM 591 O ARG A 41 32.025 10.457 -16.926 1.00 73.11 O ATOM 592 CB ARG A 41 29.749 9.543 -14.457 1.00 22.45 C ATOM 593 CG ARG A 41 28.844 8.334 -14.647 1.00 52.54 C ATOM 594 CD ARG A 41 27.509 8.533 -13.947 1.00 73.40 C ATOM 595 NE ARG A 41 26.654 7.350 -14.040 1.00 54.01 N ATOM 596 CZ ARG A 41 25.435 7.273 -13.504 1.00 61.02 C ATOM 597 NH1 ARG A 41 24.937 8.302 -12.826 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 24.716 6.167 -13.649 1.00 0.21 N ATOM 0 H ARG A 41 31.699 11.244 -14.284 1.00 61.11 H new ATOM 0 HA ARG A 41 31.459 8.327 -14.788 1.00 55.41 H new ATOM 0 HB2 ARG A 41 29.806 9.776 -13.394 1.00 22.45 H new ATOM 0 HB3 ARG A 41 29.295 10.403 -14.948 1.00 22.45 H new ATOM 0 HG2 ARG A 41 28.678 8.164 -15.711 1.00 52.54 H new ATOM 0 HG3 ARG A 41 29.335 7.443 -14.254 1.00 52.54 H new ATOM 0 HD2 ARG A 41 27.683 8.772 -12.898 1.00 73.40 H new ATOM 0 HD3 ARG A 41 26.994 9.387 -14.387 1.00 73.40 H new ATOM 0 HE ARG A 41 27.010 6.538 -14.543 1.00 54.01 H new ATOM 0 HH11 ARG A 41 25.487 9.154 -12.714 1.00 20.44 H new ATOM 0 HH12 ARG A 41 24.005 8.240 -12.417 1.00 20.44 H new ATOM 0 HH21 ARG A 41 25.096 5.377 -14.170 1.00 0.21 H new ATOM 0 HH22 ARG A 41 23.784 6.107 -13.239 1.00 0.21 H new ATOM 612 N LYS A 42 30.446 8.902 -17.296 1.00 54.02 N ATOM 613 CA LYS A 42 30.475 9.072 -18.751 1.00 62.15 C ATOM 614 C LYS A 42 30.292 10.539 -19.146 1.00 3.33 C ATOM 615 O LYS A 42 29.189 11.080 -19.111 1.00 72.44 O ATOM 616 CB LYS A 42 29.393 8.217 -19.418 1.00 51.35 C ATOM 617 CG LYS A 42 28.004 8.389 -18.818 1.00 53.14 C ATOM 618 CD LYS A 42 26.937 7.751 -19.690 1.00 3.24 C ATOM 619 CE LYS A 42 25.544 7.984 -19.125 1.00 73.02 C ATOM 620 NZ LYS A 42 24.485 7.475 -20.035 1.00 32.32 N1+ ATOM 0 H LYS A 42 29.779 8.206 -16.964 1.00 54.02 H new ATOM 0 HA LYS A 42 31.454 8.743 -19.098 1.00 62.15 H new ATOM 0 HB2 LYS A 42 29.352 8.465 -20.479 1.00 51.35 H new ATOM 0 HB3 LYS A 42 29.680 7.168 -19.347 1.00 51.35 H new ATOM 0 HG2 LYS A 42 27.978 7.942 -17.824 1.00 53.14 H new ATOM 0 HG3 LYS A 42 27.788 9.450 -18.696 1.00 53.14 H new ATOM 0 HD2 LYS A 42 26.996 8.162 -20.698 1.00 3.24 H new ATOM 0 HD3 LYS A 42 27.124 6.680 -19.771 1.00 3.24 H new ATOM 0 HE2 LYS A 42 25.458 7.491 -18.156 1.00 73.02 H new ATOM 0 HE3 LYS A 42 25.395 9.050 -18.955 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 23.551 7.653 -19.614 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 24.551 7.963 -20.951 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 24.612 6.453 -20.177 1.00 32.32 H new ATOM 634 N THR A 43 31.396 11.183 -19.493 1.00 11.20 N ATOM 635 CA THR A 43 31.379 12.574 -19.909 1.00 30.45 C ATOM 636 C THR A 43 32.379 12.810 -21.034 1.00 71.22 C ATOM 637 O THR A 43 33.591 12.762 -20.827 1.00 12.31 O ATOM 638 CB THR A 43 31.664 13.537 -18.729 1.00 43.34 C ATOM 639 OG1 THR A 43 32.640 12.975 -17.844 1.00 31.45 O ATOM 640 CG2 THR A 43 30.392 13.845 -17.951 1.00 44.42 C ATOM 0 H THR A 43 32.323 10.758 -19.494 1.00 11.20 H new ATOM 0 HA THR A 43 30.375 12.788 -20.274 1.00 30.45 H new ATOM 0 HB THR A 43 32.051 14.465 -19.149 1.00 43.34 H new ATOM 0 HG1 THR A 43 32.287 12.150 -17.449 1.00 31.45 H new ATOM 0 HG21 THR A 43 30.623 14.523 -17.129 1.00 44.42 H new ATOM 0 HG22 THR A 43 29.664 14.313 -18.614 1.00 44.42 H new ATOM 0 HG23 THR A 43 29.976 12.920 -17.552 1.00 44.42 H new ATOM 648 N LYS A 44 31.843 13.005 -22.235 1.00 62.32 N ATOM 649 CA LYS A 44 32.633 13.310 -23.428 1.00 25.23 C ATOM 650 C LYS A 44 33.605 14.482 -23.235 1.00 4.31 C ATOM 651 O LYS A 44 33.590 15.182 -22.220 1.00 45.53 O ATOM 652 CB LYS A 44 31.693 13.608 -24.595 1.00 50.13 C ATOM 653 CG LYS A 44 30.554 14.541 -24.225 1.00 21.31 C ATOM 654 CD LYS A 44 29.696 14.882 -25.428 1.00 45.42 C ATOM 655 CE LYS A 44 28.406 15.570 -25.010 1.00 25.02 C ATOM 656 NZ LYS A 44 27.645 16.080 -26.180 1.00 21.22 N1+ ATOM 0 H LYS A 44 30.840 12.956 -22.411 1.00 62.32 H new ATOM 0 HA LYS A 44 33.244 12.432 -23.636 1.00 25.23 H new ATOM 0 HB2 LYS A 44 32.266 14.050 -25.410 1.00 50.13 H new ATOM 0 HB3 LYS A 44 31.279 12.671 -24.968 1.00 50.13 H new ATOM 0 HG2 LYS A 44 29.936 14.075 -23.458 1.00 21.31 H new ATOM 0 HG3 LYS A 44 30.959 15.457 -23.795 1.00 21.31 H new ATOM 0 HD2 LYS A 44 30.254 15.531 -26.103 1.00 45.42 H new ATOM 0 HD3 LYS A 44 29.463 13.972 -25.981 1.00 45.42 H new ATOM 0 HE2 LYS A 44 27.786 14.869 -24.451 1.00 25.02 H new ATOM 0 HE3 LYS A 44 28.637 16.397 -24.339 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 26.668 16.293 -25.893 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 28.097 16.945 -26.538 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 27.636 15.359 -26.929 1.00 21.22 H new ATOM 670 N LEU A 45 34.406 14.713 -24.268 1.00 35.14 N ATOM 671 CA LEU A 45 35.541 15.631 -24.211 1.00 14.24 C ATOM 672 C LEU A 45 35.122 17.089 -24.026 1.00 21.03 C ATOM 673 O LEU A 45 35.917 17.900 -23.556 1.00 72.43 O ATOM 674 CB LEU A 45 36.357 15.500 -25.497 1.00 45.14 C ATOM 675 CG LEU A 45 36.968 14.121 -25.743 1.00 62.15 C ATOM 676 CD1 LEU A 45 37.415 13.981 -27.189 1.00 1.23 C ATOM 677 CD2 LEU A 45 38.144 13.889 -24.806 1.00 32.21 C ATOM 0 H LEU A 45 34.287 14.266 -25.177 1.00 35.14 H new ATOM 0 HA LEU A 45 36.135 15.356 -23.339 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.716 15.752 -26.342 1.00 45.14 H new ATOM 0 HB3 LEU A 45 37.160 16.237 -25.475 1.00 45.14 H new ATOM 0 HG LEU A 45 36.205 13.369 -25.543 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.847 12.992 -27.342 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.557 14.108 -27.849 1.00 1.23 H new ATOM 0 HD13 LEU A 45 38.162 14.742 -27.414 1.00 1.23 H new ATOM 0 HD21 LEU A 45 38.569 12.903 -24.993 1.00 32.21 H new ATOM 0 HD22 LEU A 45 38.904 14.651 -24.980 1.00 32.21 H new ATOM 0 HD23 LEU A 45 37.803 13.947 -23.772 1.00 32.21 H new ATOM 689 N GLU A 46 33.880 17.413 -24.377 1.00 23.02 N ATOM 690 CA GLU A 46 33.429 18.806 -24.418 1.00 4.12 C ATOM 691 C GLU A 46 33.572 19.509 -23.068 1.00 12.14 C ATOM 692 O GLU A 46 33.850 20.708 -23.013 1.00 22.14 O ATOM 693 CB GLU A 46 31.979 18.890 -24.900 1.00 14.42 C ATOM 694 CG GLU A 46 31.762 18.286 -26.278 1.00 64.54 C ATOM 695 CD GLU A 46 30.422 18.658 -26.880 1.00 23.41 C ATOM 696 OE1 GLU A 46 29.399 18.071 -26.481 1.00 71.11 O ATOM 697 OE2 GLU A 46 30.393 19.537 -27.765 1.00 72.42 O1- ATOM 0 H GLU A 46 33.167 16.732 -24.637 1.00 23.02 H new ATOM 0 HA GLU A 46 34.077 19.324 -25.125 1.00 4.12 H new ATOM 0 HB2 GLU A 46 31.336 18.380 -24.183 1.00 14.42 H new ATOM 0 HB3 GLU A 46 31.670 19.935 -24.917 1.00 14.42 H new ATOM 0 HG2 GLU A 46 32.559 18.618 -26.944 1.00 64.54 H new ATOM 0 HG3 GLU A 46 31.835 17.201 -26.209 1.00 64.54 H new ATOM 704 N LYS A 47 33.395 18.777 -21.982 1.00 62.41 N ATOM 705 CA LYS A 47 33.504 19.381 -20.662 1.00 33.34 C ATOM 706 C LYS A 47 34.967 19.453 -20.215 1.00 42.22 C ATOM 707 O LYS A 47 35.334 20.295 -19.401 1.00 54.00 O ATOM 708 CB LYS A 47 32.636 18.617 -19.646 1.00 45.33 C ATOM 709 CG LYS A 47 33.103 17.203 -19.331 1.00 32.31 C ATOM 710 CD LYS A 47 34.110 17.188 -18.194 1.00 42.23 C ATOM 711 CE LYS A 47 34.455 15.773 -17.768 1.00 42.04 C ATOM 712 NZ LYS A 47 35.264 15.761 -16.522 1.00 24.31 N1+ ATOM 0 H LYS A 47 33.179 17.780 -21.984 1.00 62.41 H new ATOM 0 HA LYS A 47 33.130 20.403 -20.715 1.00 33.34 H new ATOM 0 HB2 LYS A 47 32.604 19.187 -18.718 1.00 45.33 H new ATOM 0 HB3 LYS A 47 31.616 18.570 -20.027 1.00 45.33 H new ATOM 0 HG2 LYS A 47 32.244 16.586 -19.066 1.00 32.31 H new ATOM 0 HG3 LYS A 47 33.551 16.760 -20.221 1.00 32.31 H new ATOM 0 HD2 LYS A 47 35.017 17.706 -18.505 1.00 42.23 H new ATOM 0 HD3 LYS A 47 33.706 17.736 -17.343 1.00 42.23 H new ATOM 0 HE2 LYS A 47 33.538 15.205 -17.613 1.00 42.04 H new ATOM 0 HE3 LYS A 47 35.007 15.276 -18.566 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 36.135 15.215 -16.679 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 35.510 16.737 -16.258 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 34.714 15.323 -15.755 1.00 24.31 H new ATOM 726 N LEU A 48 35.801 18.589 -20.782 1.00 14.11 N ATOM 727 CA LEU A 48 37.211 18.508 -20.407 1.00 44.42 C ATOM 728 C LEU A 48 37.955 19.786 -20.761 1.00 0.14 C ATOM 729 O LEU A 48 38.842 20.210 -20.023 1.00 70.35 O ATOM 730 CB LEU A 48 37.862 17.297 -21.076 1.00 44.10 C ATOM 731 CG LEU A 48 37.387 15.943 -20.544 1.00 40.42 C ATOM 732 CD1 LEU A 48 37.819 14.822 -21.475 1.00 3.42 C ATOM 733 CD2 LEU A 48 37.930 15.704 -19.145 1.00 0.32 C ATOM 0 H LEU A 48 35.524 17.929 -21.509 1.00 14.11 H new ATOM 0 HA LEU A 48 37.269 18.387 -19.325 1.00 44.42 H new ATOM 0 HB2 LEU A 48 37.665 17.341 -22.147 1.00 44.10 H new ATOM 0 HB3 LEU A 48 38.942 17.364 -20.947 1.00 44.10 H new ATOM 0 HG LEU A 48 36.298 15.955 -20.499 1.00 40.42 H new ATOM 0 HD11 LEU A 48 37.472 13.867 -21.080 1.00 3.42 H new ATOM 0 HD12 LEU A 48 37.389 14.984 -22.463 1.00 3.42 H new ATOM 0 HD13 LEU A 48 38.906 14.810 -21.550 1.00 3.42 H new ATOM 0 HD21 LEU A 48 37.583 14.737 -18.780 1.00 0.32 H new ATOM 0 HD22 LEU A 48 39.020 15.713 -19.171 1.00 0.32 H new ATOM 0 HD23 LEU A 48 37.577 16.491 -18.478 1.00 0.32 H new ATOM 745 N MET A 49 37.591 20.416 -21.868 1.00 43.23 N ATOM 746 CA MET A 49 38.238 21.665 -22.225 1.00 60.12 C ATOM 747 C MET A 49 37.525 22.858 -21.594 1.00 53.42 C ATOM 748 O MET A 49 38.181 23.772 -21.110 1.00 5.35 O ATOM 749 CB MET A 49 38.370 21.852 -23.743 1.00 51.40 C ATOM 750 CG MET A 49 37.062 22.059 -24.486 1.00 63.31 C ATOM 751 SD MET A 49 36.389 20.531 -25.156 1.00 50.54 S ATOM 752 CE MET A 49 35.052 21.177 -26.162 1.00 11.13 C ATOM 0 H MET A 49 36.873 20.094 -22.516 1.00 43.23 H new ATOM 0 HA MET A 49 39.249 21.613 -21.822 1.00 60.12 H new ATOM 0 HB2 MET A 49 39.016 22.709 -23.932 1.00 51.40 H new ATOM 0 HB3 MET A 49 38.871 20.977 -24.158 1.00 51.40 H new ATOM 0 HG2 MET A 49 36.333 22.506 -23.810 1.00 63.31 H new ATOM 0 HG3 MET A 49 37.220 22.768 -25.299 1.00 63.31 H new ATOM 0 HE1 MET A 49 34.931 20.555 -27.049 1.00 11.13 H new ATOM 0 HE2 MET A 49 34.127 21.171 -25.585 1.00 11.13 H new ATOM 0 HE3 MET A 49 35.284 22.198 -26.464 1.00 11.13 H new ATOM 762 N GLU A 50 36.191 22.835 -21.552 1.00 62.40 N ATOM 763 CA GLU A 50 35.433 23.994 -21.067 1.00 61.02 C ATOM 764 C GLU A 50 35.612 24.221 -19.573 1.00 64.22 C ATOM 765 O GLU A 50 35.684 25.364 -19.123 1.00 60.03 O ATOM 766 CB GLU A 50 33.950 23.867 -21.380 1.00 62.50 C ATOM 767 CG GLU A 50 33.547 24.478 -22.710 1.00 60.44 C ATOM 768 CD GLU A 50 33.604 25.997 -22.684 1.00 51.34 C ATOM 769 OE1 GLU A 50 32.669 26.618 -22.136 1.00 24.22 O ATOM 770 OE2 GLU A 50 34.577 26.574 -23.204 1.00 23.12 O1- ATOM 0 H GLU A 50 35.620 22.042 -21.842 1.00 62.40 H new ATOM 0 HA GLU A 50 35.839 24.856 -21.597 1.00 61.02 H new ATOM 0 HB2 GLU A 50 33.678 22.812 -21.379 1.00 62.50 H new ATOM 0 HB3 GLU A 50 33.379 24.344 -20.584 1.00 62.50 H new ATOM 0 HG2 GLU A 50 34.206 24.105 -23.494 1.00 60.44 H new ATOM 0 HG3 GLU A 50 32.536 24.158 -22.964 1.00 60.44 H new ATOM 777 N VAL A 51 35.679 23.147 -18.793 1.00 23.21 N ATOM 778 CA VAL A 51 35.929 23.291 -17.365 1.00 24.13 C ATOM 779 C VAL A 51 37.276 23.970 -17.146 1.00 13.12 C ATOM 780 O VAL A 51 37.457 24.733 -16.195 1.00 53.21 O ATOM 781 CB VAL A 51 35.884 21.936 -16.619 1.00 43.11 C ATOM 782 CG1 VAL A 51 36.302 22.092 -15.162 1.00 70.21 C ATOM 783 CG2 VAL A 51 34.489 21.341 -16.696 1.00 72.35 C ATOM 0 H VAL A 51 35.566 22.187 -19.117 1.00 23.21 H new ATOM 0 HA VAL A 51 35.132 23.909 -16.951 1.00 24.13 H new ATOM 0 HB VAL A 51 36.590 21.263 -17.105 1.00 43.11 H new ATOM 0 HG11 VAL A 51 36.260 21.123 -14.666 1.00 70.21 H new ATOM 0 HG12 VAL A 51 37.320 22.480 -15.115 1.00 70.21 H new ATOM 0 HG13 VAL A 51 35.626 22.785 -14.662 1.00 70.21 H new ATOM 0 HG21 VAL A 51 34.470 20.388 -16.167 1.00 72.35 H new ATOM 0 HG22 VAL A 51 33.776 22.025 -16.236 1.00 72.35 H new ATOM 0 HG23 VAL A 51 34.218 21.182 -17.740 1.00 72.35 H new ATOM 793 N TYR A 52 38.208 23.730 -18.061 1.00 25.31 N ATOM 794 CA TYR A 52 39.504 24.372 -17.983 1.00 60.25 C ATOM 795 C TYR A 52 39.435 25.773 -18.593 1.00 22.34 C ATOM 796 O TYR A 52 40.171 26.666 -18.180 1.00 70.03 O ATOM 797 CB TYR A 52 40.578 23.535 -18.678 1.00 50.21 C ATOM 798 CG TYR A 52 41.969 23.790 -18.136 1.00 54.44 C ATOM 799 CD1 TYR A 52 42.493 22.994 -17.124 1.00 10.40 C ATOM 800 CD2 TYR A 52 42.750 24.835 -18.617 1.00 35.44 C ATOM 801 CE1 TYR A 52 43.752 23.230 -16.608 1.00 44.31 C ATOM 802 CE2 TYR A 52 44.013 25.075 -18.108 1.00 2.44 C ATOM 803 CZ TYR A 52 44.508 24.270 -17.102 1.00 61.10 C ATOM 804 OH TYR A 52 45.760 24.514 -16.584 1.00 70.14 O ATOM 0 H TYR A 52 38.088 23.102 -18.855 1.00 25.31 H new ATOM 0 HA TYR A 52 39.779 24.459 -16.932 1.00 60.25 H new ATOM 0 HB2 TYR A 52 40.338 22.478 -18.564 1.00 50.21 H new ATOM 0 HB3 TYR A 52 40.565 23.751 -19.746 1.00 50.21 H new ATOM 0 HD1 TYR A 52 41.905 22.176 -16.734 1.00 10.40 H new ATOM 0 HD2 TYR A 52 42.364 25.470 -19.401 1.00 35.44 H new ATOM 0 HE1 TYR A 52 44.142 22.602 -15.821 1.00 44.31 H new ATOM 0 HE2 TYR A 52 44.609 25.888 -18.496 1.00 2.44 H new ATOM 0 HH TYR A 52 46.160 25.282 -17.043 1.00 70.14 H new ATOM 814 N CYS A 53 38.552 25.967 -19.573 1.00 62.33 N ATOM 815 CA CYS A 53 38.308 27.290 -20.123 1.00 41.30 C ATOM 816 C CYS A 53 37.848 28.252 -19.033 1.00 4.33 C ATOM 817 O CYS A 53 38.218 29.429 -19.019 1.00 34.34 O ATOM 818 CB CYS A 53 37.279 27.198 -21.238 1.00 62.10 C ATOM 819 SG CYS A 53 37.820 26.170 -22.622 1.00 24.41 S ATOM 0 H CYS A 53 37.998 25.223 -19.998 1.00 62.33 H new ATOM 0 HA CYS A 53 39.238 27.680 -20.536 1.00 41.30 H new ATOM 0 HB2 CYS A 53 36.351 26.794 -20.835 1.00 62.10 H new ATOM 0 HB3 CYS A 53 37.058 28.201 -21.603 1.00 62.10 H new ATOM 0 HG CYS A 53 38.345 25.071 -22.167 1.00 24.41 H new ATOM 825 N ASN A 54 37.048 27.735 -18.109 1.00 31.24 N ATOM 826 CA ASN A 54 36.622 28.495 -16.942 1.00 23.21 C ATOM 827 C ASN A 54 37.813 28.823 -16.043 1.00 50.15 C ATOM 828 O ASN A 54 37.855 29.879 -15.412 1.00 44.41 O ATOM 829 CB ASN A 54 35.557 27.711 -16.163 1.00 60.32 C ATOM 830 CG ASN A 54 35.263 28.307 -14.796 1.00 62.25 C ATOM 831 OD1 ASN A 54 35.823 27.873 -13.785 1.00 53.02 O ATOM 832 ND2 ASN A 54 34.402 29.310 -14.755 1.00 23.34 N ATOM 0 H ASN A 54 36.679 26.785 -18.147 1.00 31.24 H new ATOM 0 HA ASN A 54 36.187 29.435 -17.281 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.637 27.681 -16.746 1.00 60.32 H new ATOM 0 HB3 ASN A 54 35.890 26.680 -16.040 1.00 60.32 H new ATOM 0 HD21 ASN A 54 34.179 29.755 -13.865 1.00 23.34 H new ATOM 0 HD22 ASN A 54 33.961 29.639 -15.614 1.00 23.34 H new ATOM 839 N ARG A 55 38.786 27.922 -16.009 1.00 12.20 N ATOM 840 CA ARG A 55 39.978 28.109 -15.189 1.00 42.42 C ATOM 841 C ARG A 55 40.904 29.165 -15.782 1.00 32.14 C ATOM 842 O ARG A 55 41.326 30.087 -15.088 1.00 34.11 O ATOM 843 CB ARG A 55 40.741 26.792 -15.033 1.00 23.13 C ATOM 844 CG ARG A 55 40.458 26.053 -13.733 1.00 12.33 C ATOM 845 CD ARG A 55 38.979 25.760 -13.555 1.00 14.04 C ATOM 846 NE ARG A 55 38.733 24.893 -12.406 1.00 32.42 N ATOM 847 CZ ARG A 55 37.536 24.694 -11.859 1.00 13.03 C ATOM 848 NH1 ARG A 55 36.474 25.345 -12.315 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 37.406 23.857 -10.840 1.00 31.52 N ATOM 0 H ARG A 55 38.774 27.052 -16.541 1.00 12.20 H new ATOM 0 HA ARG A 55 39.645 28.451 -14.209 1.00 42.42 H new ATOM 0 HB2 ARG A 55 40.491 26.140 -15.870 1.00 23.13 H new ATOM 0 HB3 ARG A 55 41.810 26.996 -15.096 1.00 23.13 H new ATOM 0 HG2 ARG A 55 41.017 25.117 -13.719 1.00 12.33 H new ATOM 0 HG3 ARG A 55 40.813 26.649 -12.892 1.00 12.33 H new ATOM 0 HD2 ARG A 55 38.436 26.696 -13.427 1.00 14.04 H new ATOM 0 HD3 ARG A 55 38.591 25.287 -14.457 1.00 14.04 H new ATOM 0 HE ARG A 55 39.531 24.408 -11.996 1.00 32.42 H new ATOM 0 HH11 ARG A 55 36.572 26.002 -13.089 1.00 74.42 H new ATOM 0 HH12 ARG A 55 35.559 25.188 -11.892 1.00 74.42 H new ATOM 0 HH21 ARG A 55 38.223 23.366 -10.476 1.00 31.52 H new ATOM 0 HH22 ARG A 55 36.489 23.704 -10.420 1.00 31.52 H new ATOM 863 N LEU A 56 41.218 29.031 -17.068 1.00 75.42 N ATOM 864 CA LEU A 56 42.180 29.923 -17.709 1.00 60.21 C ATOM 865 C LEU A 56 41.568 31.297 -17.999 1.00 22.05 C ATOM 866 O LEU A 56 42.290 32.279 -18.164 1.00 73.52 O ATOM 867 CB LEU A 56 42.754 29.279 -18.982 1.00 50.30 C ATOM 868 CG LEU A 56 41.775 29.071 -20.139 1.00 25.35 C ATOM 869 CD1 LEU A 56 41.903 30.196 -21.152 1.00 0.31 C ATOM 870 CD2 LEU A 56 42.018 27.726 -20.804 1.00 31.13 C ATOM 0 H LEU A 56 40.824 28.319 -17.683 1.00 75.42 H new ATOM 0 HA LEU A 56 43.004 30.083 -17.014 1.00 60.21 H new ATOM 0 HB2 LEU A 56 43.577 29.899 -19.338 1.00 50.30 H new ATOM 0 HB3 LEU A 56 43.177 28.311 -18.714 1.00 50.30 H new ATOM 0 HG LEU A 56 40.761 29.081 -19.740 1.00 25.35 H new ATOM 0 HD11 LEU A 56 41.200 30.032 -21.968 1.00 0.31 H new ATOM 0 HD12 LEU A 56 41.683 31.148 -20.669 1.00 0.31 H new ATOM 0 HD13 LEU A 56 42.919 30.216 -21.547 1.00 0.31 H new ATOM 0 HD21 LEU A 56 41.313 27.593 -21.625 1.00 31.13 H new ATOM 0 HD22 LEU A 56 43.037 27.690 -21.191 1.00 31.13 H new ATOM 0 HD23 LEU A 56 41.879 26.929 -20.074 1.00 31.13 H new ATOM 882 N GLY A 57 40.240 31.362 -18.054 1.00 1.41 N ATOM 883 CA GLY A 57 39.563 32.642 -18.193 1.00 43.53 C ATOM 884 C GLY A 57 39.121 32.943 -19.615 1.00 60.04 C ATOM 885 O GLY A 57 38.756 34.074 -19.928 1.00 13.12 O ATOM 0 H GLY A 57 39.621 30.553 -18.005 1.00 1.41 H new ATOM 0 HA2 GLY A 57 38.691 32.655 -17.539 1.00 43.53 H new ATOM 0 HA3 GLY A 57 40.229 33.435 -17.852 1.00 43.53 H new ATOM 889 N GLN A 58 39.148 31.936 -20.474 1.00 5.23 N ATOM 890 CA GLN A 58 38.717 32.094 -21.859 1.00 75.33 C ATOM 891 C GLN A 58 38.164 30.767 -22.363 1.00 45.23 C ATOM 892 O GLN A 58 38.808 29.732 -22.204 1.00 23.22 O ATOM 893 CB GLN A 58 39.895 32.562 -22.721 1.00 11.42 C ATOM 894 CG GLN A 58 39.524 32.905 -24.154 1.00 44.44 C ATOM 895 CD GLN A 58 40.684 33.524 -24.912 1.00 61.21 C ATOM 896 OE1 GLN A 58 41.494 32.692 -25.551 1.00 43.03 O flip ATOM 897 NE2 GLN A 58 40.853 34.741 -24.921 1.00 21.11 N flip ATOM 0 H GLN A 58 39.465 30.996 -20.237 1.00 5.23 H new ATOM 0 HA GLN A 58 37.933 32.848 -21.922 1.00 75.33 H new ATOM 0 HB2 GLN A 58 40.345 33.438 -22.255 1.00 11.42 H new ATOM 0 HB3 GLN A 58 40.655 31.781 -22.732 1.00 11.42 H new ATOM 0 HG2 GLN A 58 39.196 32.002 -24.669 1.00 44.44 H new ATOM 0 HG3 GLN A 58 38.681 33.596 -24.154 1.00 44.44 H new ATOM 0 HE21 GLN A 58 40.208 35.349 -24.417 1.00 21.11 H new ATOM 0 HE22 GLN A 58 41.638 35.143 -25.433 1.00 21.11 H new ATOM 906 N SER A 59 36.977 30.794 -22.957 1.00 14.32 N ATOM 907 CA SER A 59 36.296 29.563 -23.335 1.00 21.14 C ATOM 908 C SER A 59 36.857 28.952 -24.618 1.00 30.15 C ATOM 909 O SER A 59 37.601 29.596 -25.368 1.00 21.13 O ATOM 910 CB SER A 59 34.791 29.799 -23.456 1.00 31.20 C ATOM 911 OG SER A 59 34.504 30.911 -24.288 1.00 0.21 O ATOM 0 H SER A 59 36.469 31.649 -23.186 1.00 14.32 H new ATOM 0 HA SER A 59 36.477 28.840 -22.540 1.00 21.14 H new ATOM 0 HB2 SER A 59 34.313 28.907 -23.862 1.00 31.20 H new ATOM 0 HB3 SER A 59 34.367 29.965 -22.466 1.00 31.20 H new ATOM 0 HG SER A 59 33.534 31.034 -24.346 1.00 0.21 H new ATOM 917 N MET A 60 36.462 27.703 -24.862 1.00 4.23 N ATOM 918 CA MET A 60 37.041 26.864 -25.910 1.00 54.32 C ATOM 919 C MET A 60 36.788 27.408 -27.314 1.00 62.24 C ATOM 920 O MET A 60 37.441 27.001 -28.273 1.00 52.30 O ATOM 921 CB MET A 60 36.520 25.428 -25.766 1.00 53.34 C ATOM 922 CG MET A 60 35.008 25.278 -25.912 1.00 74.42 C ATOM 923 SD MET A 60 34.423 25.412 -27.614 1.00 3.20 S ATOM 924 CE MET A 60 32.652 25.315 -27.371 1.00 21.54 C ATOM 0 H MET A 60 35.723 27.241 -24.332 1.00 4.23 H new ATOM 0 HA MET A 60 38.123 26.871 -25.779 1.00 54.32 H new ATOM 0 HB2 MET A 60 37.007 24.803 -26.515 1.00 53.34 H new ATOM 0 HB3 MET A 60 36.816 25.045 -24.789 1.00 53.34 H new ATOM 0 HG2 MET A 60 34.708 24.310 -25.510 1.00 74.42 H new ATOM 0 HG3 MET A 60 34.517 26.041 -25.308 1.00 74.42 H new ATOM 0 HE1 MET A 60 32.148 25.384 -28.335 1.00 21.54 H new ATOM 0 HE2 MET A 60 32.401 24.366 -26.897 1.00 21.54 H new ATOM 0 HE3 MET A 60 32.327 26.136 -26.732 1.00 21.54 H new ATOM 934 N GLU A 61 35.849 28.330 -27.444 1.00 23.42 N ATOM 935 CA GLU A 61 35.561 28.924 -28.741 1.00 74.42 C ATOM 936 C GLU A 61 36.708 29.835 -29.178 1.00 75.51 C ATOM 937 O GLU A 61 36.836 30.175 -30.354 1.00 20.42 O ATOM 938 CB GLU A 61 34.247 29.699 -28.692 1.00 42.44 C ATOM 939 CG GLU A 61 34.259 30.866 -27.726 1.00 61.05 C ATOM 940 CD GLU A 61 32.911 31.537 -27.634 1.00 11.12 C ATOM 941 OE1 GLU A 61 32.314 31.529 -26.538 1.00 22.14 O ATOM 942 OE2 GLU A 61 32.432 32.054 -28.661 1.00 34.12 O1- ATOM 0 H GLU A 61 35.277 28.682 -26.676 1.00 23.42 H new ATOM 0 HA GLU A 61 35.460 28.124 -29.474 1.00 74.42 H new ATOM 0 HB2 GLU A 61 34.017 30.069 -29.691 1.00 42.44 H new ATOM 0 HB3 GLU A 61 33.444 29.017 -28.413 1.00 42.44 H new ATOM 0 HG2 GLU A 61 34.558 30.516 -26.738 1.00 61.05 H new ATOM 0 HG3 GLU A 61 35.005 31.594 -28.046 1.00 61.05 H new ATOM 949 N ALA A 62 37.548 30.216 -28.223 1.00 52.12 N ATOM 950 CA ALA A 62 38.699 31.049 -28.496 1.00 65.21 C ATOM 951 C ALA A 62 39.984 30.260 -28.263 1.00 34.10 C ATOM 952 O ALA A 62 41.075 30.817 -28.267 1.00 64.00 O ATOM 953 CB ALA A 62 38.668 32.298 -27.631 1.00 61.24 C ATOM 0 H ALA A 62 37.446 29.954 -27.243 1.00 52.12 H new ATOM 0 HA ALA A 62 38.669 31.360 -29.540 1.00 65.21 H new ATOM 0 HB1 ALA A 62 39.541 32.913 -27.849 1.00 61.24 H new ATOM 0 HB2 ALA A 62 37.762 32.865 -27.843 1.00 61.24 H new ATOM 0 HB3 ALA A 62 38.679 32.012 -26.579 1.00 61.24 H new ATOM 959 N VAL A 63 39.835 28.955 -28.049 1.00 73.13 N ATOM 960 CA VAL A 63 40.971 28.037 -27.958 1.00 24.42 C ATOM 961 C VAL A 63 40.612 26.691 -28.595 1.00 55.34 C ATOM 962 O VAL A 63 39.911 25.874 -28.006 1.00 73.14 O ATOM 963 CB VAL A 63 41.458 27.817 -26.499 1.00 61.35 C ATOM 964 CG1 VAL A 63 42.303 28.993 -26.025 1.00 71.21 C ATOM 965 CG2 VAL A 63 40.288 27.605 -25.553 1.00 55.25 C ATOM 0 H VAL A 63 38.927 28.504 -27.934 1.00 73.13 H new ATOM 0 HA VAL A 63 41.794 28.501 -28.502 1.00 24.42 H new ATOM 0 HB VAL A 63 42.073 26.917 -26.493 1.00 61.35 H new ATOM 0 HG11 VAL A 63 42.632 28.815 -25.001 1.00 71.21 H new ATOM 0 HG12 VAL A 63 43.173 29.100 -26.672 1.00 71.21 H new ATOM 0 HG13 VAL A 63 41.709 29.906 -26.062 1.00 71.21 H new ATOM 0 HG21 VAL A 63 40.662 27.454 -24.540 1.00 55.25 H new ATOM 0 HG22 VAL A 63 39.640 28.481 -25.574 1.00 55.25 H new ATOM 0 HG23 VAL A 63 39.722 26.728 -25.865 1.00 55.25 H new ATOM 975 N ARG A 64 41.114 26.466 -29.804 1.00 62.12 N ATOM 976 CA ARG A 64 40.732 25.298 -30.584 1.00 22.32 C ATOM 977 C ARG A 64 41.369 24.045 -30.007 1.00 10.41 C ATOM 978 O ARG A 64 42.584 23.976 -29.840 1.00 51.14 O ATOM 979 CB ARG A 64 41.132 25.469 -32.052 1.00 54.44 C ATOM 980 CG ARG A 64 40.508 24.430 -32.975 1.00 13.01 C ATOM 981 CD ARG A 64 38.988 24.501 -32.932 1.00 42.55 C ATOM 982 NE ARG A 64 38.356 23.568 -33.863 1.00 31.25 N ATOM 983 CZ ARG A 64 37.040 23.492 -34.056 1.00 15.00 C ATOM 984 NH1 ARG A 64 36.208 24.243 -33.344 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 36.557 22.643 -34.954 1.00 70.22 N ATOM 0 H ARG A 64 41.787 27.079 -30.264 1.00 62.12 H new ATOM 0 HA ARG A 64 39.648 25.195 -30.534 1.00 22.32 H new ATOM 0 HB2 ARG A 64 40.839 26.464 -32.387 1.00 54.44 H new ATOM 0 HB3 ARG A 64 42.217 25.412 -32.134 1.00 54.44 H new ATOM 0 HG2 ARG A 64 40.854 24.592 -33.996 1.00 13.01 H new ATOM 0 HG3 ARG A 64 40.837 23.433 -32.681 1.00 13.01 H new ATOM 0 HD2 ARG A 64 38.646 24.286 -31.920 1.00 42.55 H new ATOM 0 HD3 ARG A 64 38.668 25.516 -33.167 1.00 42.55 H new ATOM 0 HE ARG A 64 38.957 22.939 -34.395 1.00 31.25 H new ATOM 0 HH11 ARG A 64 36.575 24.885 -32.642 1.00 3.51 H new ATOM 0 HH12 ARG A 64 35.202 24.177 -33.499 1.00 3.51 H new ATOM 0 HH21 ARG A 64 37.192 22.053 -35.492 1.00 70.22 H new ATOM 0 HH22 ARG A 64 35.550 22.580 -35.107 1.00 70.22 H new ATOM 999 N PHE A 65 40.533 23.066 -29.716 1.00 1.01 N ATOM 1000 CA PHE A 65 40.959 21.839 -29.061 1.00 71.14 C ATOM 1001 C PHE A 65 41.445 20.790 -30.056 1.00 51.04 C ATOM 1002 O PHE A 65 40.669 20.262 -30.852 1.00 10.13 O ATOM 1003 CB PHE A 65 39.805 21.278 -28.224 1.00 12.02 C ATOM 1004 CG PHE A 65 38.437 21.651 -28.744 1.00 4.35 C ATOM 1005 CD1 PHE A 65 37.794 22.788 -28.280 1.00 23.21 C ATOM 1006 CD2 PHE A 65 37.800 20.871 -29.696 1.00 74.42 C ATOM 1007 CE1 PHE A 65 36.547 23.139 -28.757 1.00 40.23 C ATOM 1008 CE2 PHE A 65 36.550 21.218 -30.174 1.00 32.51 C ATOM 1009 CZ PHE A 65 35.924 22.353 -29.705 1.00 22.21 C ATOM 0 H PHE A 65 39.536 23.097 -29.927 1.00 1.01 H new ATOM 0 HA PHE A 65 41.803 22.083 -28.416 1.00 71.14 H new ATOM 0 HB2 PHE A 65 39.887 20.192 -28.191 1.00 12.02 H new ATOM 0 HB3 PHE A 65 39.904 21.636 -27.199 1.00 12.02 H new ATOM 0 HD1 PHE A 65 38.274 23.407 -27.536 1.00 23.21 H new ATOM 0 HD2 PHE A 65 38.286 19.981 -30.069 1.00 74.42 H new ATOM 0 HE1 PHE A 65 36.059 24.029 -28.388 1.00 40.23 H new ATOM 0 HE2 PHE A 65 36.064 20.600 -30.915 1.00 32.51 H new ATOM 0 HZ PHE A 65 34.948 22.627 -30.079 1.00 22.21 H new ATOM 1019 N LEU A 66 42.738 20.505 -30.010 1.00 3.44 N ATOM 1020 CA LEU A 66 43.315 19.417 -30.782 1.00 54.44 C ATOM 1021 C LEU A 66 43.366 18.158 -29.928 1.00 3.34 C ATOM 1022 O LEU A 66 43.945 18.161 -28.843 1.00 63.15 O ATOM 1023 CB LEU A 66 44.733 19.762 -31.270 1.00 43.35 C ATOM 1024 CG LEU A 66 44.829 20.778 -32.420 1.00 33.23 C ATOM 1025 CD1 LEU A 66 44.458 22.181 -31.958 1.00 0.12 C ATOM 1026 CD2 LEU A 66 46.231 20.769 -33.014 1.00 53.02 C ATOM 0 H LEU A 66 43.411 21.018 -29.441 1.00 3.44 H new ATOM 0 HA LEU A 66 42.685 19.253 -31.656 1.00 54.44 H new ATOM 0 HB2 LEU A 66 45.302 20.148 -30.424 1.00 43.35 H new ATOM 0 HB3 LEU A 66 45.220 18.840 -31.587 1.00 43.35 H new ATOM 0 HG LEU A 66 44.115 20.482 -33.188 1.00 33.23 H new ATOM 0 HD11 LEU A 66 44.537 22.873 -32.796 1.00 0.12 H new ATOM 0 HD12 LEU A 66 43.435 22.182 -31.582 1.00 0.12 H new ATOM 0 HD13 LEU A 66 45.136 22.494 -31.164 1.00 0.12 H new ATOM 0 HD21 LEU A 66 46.286 21.493 -33.827 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.955 21.034 -32.243 1.00 53.02 H new ATOM 0 HD23 LEU A 66 46.457 19.774 -33.397 1.00 53.02 H new ATOM 1038 N TYR A 67 42.780 17.081 -30.420 1.00 31.41 N ATOM 1039 CA TYR A 67 42.725 15.838 -29.669 1.00 20.11 C ATOM 1040 C TYR A 67 43.744 14.850 -30.209 1.00 74.01 C ATOM 1041 O TYR A 67 43.634 14.398 -31.349 1.00 2.22 O ATOM 1042 CB TYR A 67 41.325 15.221 -29.727 1.00 43.11 C ATOM 1043 CG TYR A 67 40.239 16.098 -29.138 1.00 44.31 C ATOM 1044 CD1 TYR A 67 39.329 16.752 -29.956 1.00 53.11 C ATOM 1045 CD2 TYR A 67 40.120 16.264 -27.765 1.00 43.34 C ATOM 1046 CE1 TYR A 67 38.330 17.541 -29.424 1.00 20.14 C ATOM 1047 CE2 TYR A 67 39.125 17.056 -27.225 1.00 70.41 C ATOM 1048 CZ TYR A 67 38.232 17.690 -28.059 1.00 13.14 C ATOM 1049 OH TYR A 67 37.231 18.467 -27.527 1.00 73.41 O ATOM 0 H TYR A 67 42.335 17.041 -31.337 1.00 31.41 H new ATOM 0 HA TYR A 67 42.960 16.065 -28.629 1.00 20.11 H new ATOM 0 HB2 TYR A 67 41.078 15.003 -30.766 1.00 43.11 H new ATOM 0 HB3 TYR A 67 41.337 14.269 -29.196 1.00 43.11 H new ATOM 0 HD1 TYR A 67 39.404 16.642 -31.028 1.00 53.11 H new ATOM 0 HD2 TYR A 67 40.817 15.766 -27.108 1.00 43.34 H new ATOM 0 HE1 TYR A 67 37.628 18.040 -30.076 1.00 20.14 H new ATOM 0 HE2 TYR A 67 39.048 17.177 -26.155 1.00 70.41 H new ATOM 0 HH TYR A 67 37.175 19.311 -28.021 1.00 73.41 H new ATOM 1059 N ASP A 68 44.748 14.535 -29.389 1.00 41.34 N ATOM 1060 CA ASP A 68 45.847 13.657 -29.802 1.00 70.30 C ATOM 1061 C ASP A 68 46.545 14.241 -31.037 1.00 63.40 C ATOM 1062 O ASP A 68 47.157 13.535 -31.836 1.00 15.11 O ATOM 1063 CB ASP A 68 45.323 12.234 -30.072 1.00 75.51 C ATOM 1064 CG ASP A 68 46.427 11.228 -30.355 1.00 2.14 C ATOM 1065 OD1 ASP A 68 46.333 10.506 -31.372 1.00 32.21 O ATOM 1066 OD2 ASP A 68 47.395 11.154 -29.565 1.00 31.41 O1- ATOM 0 H ASP A 68 44.824 14.876 -28.431 1.00 41.34 H new ATOM 0 HA ASP A 68 46.579 13.593 -28.997 1.00 70.30 H new ATOM 0 HB2 ASP A 68 44.747 11.897 -29.210 1.00 75.51 H new ATOM 0 HB3 ASP A 68 44.640 12.261 -30.921 1.00 75.51 H new ATOM 1071 N GLY A 69 46.467 15.561 -31.160 1.00 73.33 N ATOM 1072 CA GLY A 69 47.060 16.242 -32.292 1.00 31.22 C ATOM 1073 C GLY A 69 46.050 16.577 -33.370 1.00 61.52 C ATOM 1074 O GLY A 69 46.313 17.419 -34.230 1.00 60.14 O ATOM 0 H GLY A 69 46.000 16.173 -30.491 1.00 73.33 H new ATOM 0 HA2 GLY A 69 47.537 17.160 -31.949 1.00 31.22 H new ATOM 0 HA3 GLY A 69 47.844 15.616 -32.717 1.00 31.22 H new ATOM 1078 N ASP A 70 44.889 15.936 -33.329 1.00 53.11 N ATOM 1079 CA ASP A 70 43.866 16.179 -34.336 1.00 72.13 C ATOM 1080 C ASP A 70 42.661 16.882 -33.719 1.00 44.24 C ATOM 1081 O ASP A 70 41.976 16.342 -32.855 1.00 64.30 O ATOM 1082 CB ASP A 70 43.428 14.865 -34.986 1.00 12.43 C ATOM 1083 CG ASP A 70 42.930 15.063 -36.404 1.00 51.11 C ATOM 1084 OD1 ASP A 70 43.474 14.408 -37.320 1.00 0.21 O ATOM 1085 OD2 ASP A 70 42.023 15.890 -36.614 1.00 51.24 O1- ATOM 0 H ASP A 70 44.634 15.251 -32.617 1.00 53.11 H new ATOM 0 HA ASP A 70 44.293 16.825 -35.103 1.00 72.13 H new ATOM 0 HB2 ASP A 70 44.266 14.168 -34.992 1.00 12.43 H new ATOM 0 HB3 ASP A 70 42.639 14.411 -34.386 1.00 12.43 H new ATOM 1090 N ARG A 71 42.410 18.091 -34.177 1.00 22.42 N ATOM 1091 CA ARG A 71 41.323 18.911 -33.663 1.00 4.53 C ATOM 1092 C ARG A 71 39.983 18.506 -34.273 1.00 73.24 C ATOM 1093 O ARG A 71 39.738 18.704 -35.463 1.00 53.50 O ATOM 1094 CB ARG A 71 41.625 20.387 -33.940 1.00 35.54 C ATOM 1095 CG ARG A 71 42.025 20.664 -35.381 1.00 31.51 C ATOM 1096 CD ARG A 71 42.610 22.053 -35.551 1.00 31.40 C ATOM 1097 NE ARG A 71 43.153 22.242 -36.892 1.00 41.13 N ATOM 1098 CZ ARG A 71 44.448 22.412 -37.154 1.00 30.34 C ATOM 1099 NH1 ARG A 71 45.343 22.378 -36.174 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 44.853 22.599 -38.399 1.00 61.14 N ATOM 0 H ARG A 71 42.952 18.537 -34.917 1.00 22.42 H new ATOM 0 HA ARG A 71 41.246 18.755 -32.587 1.00 4.53 H new ATOM 0 HB2 ARG A 71 40.745 20.982 -33.695 1.00 35.54 H new ATOM 0 HB3 ARG A 71 42.427 20.716 -33.279 1.00 35.54 H new ATOM 0 HG2 ARG A 71 42.755 19.921 -35.704 1.00 31.51 H new ATOM 0 HG3 ARG A 71 41.153 20.556 -36.026 1.00 31.51 H new ATOM 0 HD2 ARG A 71 41.839 22.800 -35.360 1.00 31.40 H new ATOM 0 HD3 ARG A 71 43.396 22.211 -34.813 1.00 31.40 H new ATOM 0 HE ARG A 71 42.501 22.244 -37.677 1.00 41.13 H new ATOM 0 HH11 ARG A 71 45.041 22.221 -35.213 1.00 31.45 H new ATOM 0 HH12 ARG A 71 46.333 22.509 -36.383 1.00 31.45 H new ATOM 0 HH21 ARG A 71 44.174 22.613 -39.160 1.00 61.14 H new ATOM 0 HH22 ARG A 71 45.845 22.729 -38.599 1.00 61.14 H new ATOM 1114 N ILE A 72 39.117 17.937 -33.445 1.00 75.30 N ATOM 1115 CA ILE A 72 37.798 17.501 -33.883 1.00 23.12 C ATOM 1116 C ILE A 72 36.736 17.955 -32.887 1.00 21.23 C ATOM 1117 O ILE A 72 37.000 18.812 -32.049 1.00 74.34 O ATOM 1118 CB ILE A 72 37.725 15.962 -34.051 1.00 62.51 C ATOM 1119 CG1 ILE A 72 38.163 15.259 -32.763 1.00 50.23 C ATOM 1120 CG2 ILE A 72 38.578 15.510 -35.229 1.00 14.53 C ATOM 1121 CD1 ILE A 72 38.043 13.751 -32.817 1.00 62.02 C ATOM 0 H ILE A 72 39.307 17.766 -32.458 1.00 75.30 H new ATOM 0 HA ILE A 72 37.612 17.957 -34.856 1.00 23.12 H new ATOM 0 HB ILE A 72 36.690 15.687 -34.255 1.00 62.51 H new ATOM 0 HG12 ILE A 72 39.199 15.524 -32.550 1.00 50.23 H new ATOM 0 HG13 ILE A 72 37.562 15.632 -31.934 1.00 50.23 H new ATOM 0 HG21 ILE A 72 38.514 14.427 -35.330 1.00 14.53 H new ATOM 0 HG22 ILE A 72 38.216 15.982 -36.142 1.00 14.53 H new ATOM 0 HG23 ILE A 72 39.616 15.797 -35.058 1.00 14.53 H new ATOM 0 HD11 ILE A 72 38.372 13.326 -31.869 1.00 62.02 H new ATOM 0 HD12 ILE A 72 37.004 13.475 -32.998 1.00 62.02 H new ATOM 0 HD13 ILE A 72 38.667 13.365 -33.623 1.00 62.02 H new ATOM 1133 N HIS A 73 35.542 17.390 -32.982 1.00 53.04 N ATOM 1134 CA HIS A 73 34.461 17.742 -32.070 1.00 43.03 C ATOM 1135 C HIS A 73 34.562 16.913 -30.793 1.00 24.44 C ATOM 1136 O HIS A 73 34.872 15.722 -30.846 1.00 15.32 O ATOM 1137 CB HIS A 73 33.100 17.522 -32.732 1.00 55.44 C ATOM 1138 CG HIS A 73 32.886 18.351 -33.964 1.00 52.52 C ATOM 1139 ND1 HIS A 73 32.834 17.812 -35.230 1.00 23.24 N ATOM 1140 CD2 HIS A 73 32.707 19.684 -34.121 1.00 42.44 C ATOM 1141 CE1 HIS A 73 32.634 18.773 -36.109 1.00 61.52 C ATOM 1142 NE2 HIS A 73 32.556 19.922 -35.465 1.00 53.34 N ATOM 0 H HIS A 73 35.296 16.687 -33.679 1.00 53.04 H new ATOM 0 HA HIS A 73 34.554 18.798 -31.818 1.00 43.03 H new ATOM 0 HB2 HIS A 73 32.999 16.468 -32.992 1.00 55.44 H new ATOM 0 HB3 HIS A 73 32.315 17.749 -32.011 1.00 55.44 H new ATOM 0 HD2 HIS A 73 32.687 20.424 -33.334 1.00 42.44 H new ATOM 0 HE1 HIS A 73 32.548 18.642 -37.178 1.00 61.52 H new ATOM 0 HE2 HIS A 73 32.408 20.835 -35.894 1.00 53.34 H new ATOM 1151 N GLY A 74 34.284 17.539 -29.655 1.00 2.32 N ATOM 1152 CA GLY A 74 34.421 16.868 -28.373 1.00 30.33 C ATOM 1153 C GLY A 74 33.354 15.814 -28.138 1.00 45.23 C ATOM 1154 O GLY A 74 33.510 14.939 -27.280 1.00 50.31 O ATOM 0 H GLY A 74 33.964 18.506 -29.596 1.00 2.32 H new ATOM 0 HA2 GLY A 74 35.404 16.401 -28.317 1.00 30.33 H new ATOM 0 HA3 GLY A 74 34.374 17.609 -27.575 1.00 30.33 H new ATOM 1158 N ASP A 75 32.270 15.896 -28.900 1.00 32.14 N ATOM 1159 CA ASP A 75 31.162 14.948 -28.789 1.00 72.23 C ATOM 1160 C ASP A 75 31.565 13.568 -29.308 1.00 10.20 C ATOM 1161 O ASP A 75 30.888 12.572 -29.054 1.00 3.33 O ATOM 1162 CB ASP A 75 29.951 15.480 -29.562 1.00 71.41 C ATOM 1163 CG ASP A 75 28.732 14.583 -29.459 1.00 34.44 C ATOM 1164 OD1 ASP A 75 28.094 14.556 -28.384 1.00 15.34 O ATOM 1165 OD2 ASP A 75 28.388 13.924 -30.463 1.00 4.31 O1- ATOM 0 H ASP A 75 32.132 16.616 -29.609 1.00 32.14 H new ATOM 0 HA ASP A 75 30.898 14.842 -27.737 1.00 72.23 H new ATOM 0 HB2 ASP A 75 29.697 16.471 -29.187 1.00 71.41 H new ATOM 0 HB3 ASP A 75 30.221 15.595 -30.612 1.00 71.41 H new ATOM 1170 N ASN A 76 32.699 13.516 -29.998 1.00 64.25 N ATOM 1171 CA ASN A 76 33.185 12.275 -30.595 1.00 64.43 C ATOM 1172 C ASN A 76 33.563 11.266 -29.513 1.00 13.52 C ATOM 1173 O ASN A 76 33.260 10.078 -29.628 1.00 71.25 O ATOM 1174 CB ASN A 76 34.405 12.562 -31.479 1.00 33.10 C ATOM 1175 CG ASN A 76 34.808 11.378 -32.340 1.00 40.10 C ATOM 1176 OD1 ASN A 76 34.382 11.257 -33.486 1.00 32.24 O ATOM 1177 ND2 ASN A 76 35.632 10.493 -31.797 1.00 30.14 N ATOM 0 H ASN A 76 33.302 14.323 -30.159 1.00 64.25 H new ATOM 0 HA ASN A 76 32.386 11.852 -31.204 1.00 64.43 H new ATOM 0 HB2 ASN A 76 34.187 13.414 -32.123 1.00 33.10 H new ATOM 0 HB3 ASN A 76 35.246 12.847 -30.846 1.00 33.10 H new ATOM 0 HD21 ASN A 76 35.932 9.679 -32.334 1.00 30.14 H new ATOM 0 HD22 ASN A 76 35.966 10.626 -30.842 1.00 30.14 H new ATOM 1184 N THR A 77 34.213 11.760 -28.456 1.00 21.44 N ATOM 1185 CA THR A 77 34.660 10.932 -27.334 1.00 65.40 C ATOM 1186 C THR A 77 35.798 9.981 -27.764 1.00 53.35 C ATOM 1187 O THR A 77 35.753 9.387 -28.843 1.00 42.51 O ATOM 1188 CB THR A 77 33.478 10.136 -26.730 1.00 70.12 C ATOM 1189 OG1 THR A 77 32.339 10.994 -26.589 1.00 4.33 O ATOM 1190 CG2 THR A 77 33.835 9.559 -25.368 1.00 65.33 C ATOM 0 H THR A 77 34.444 12.748 -28.354 1.00 21.44 H new ATOM 0 HA THR A 77 35.051 11.597 -26.564 1.00 65.40 H new ATOM 0 HB THR A 77 33.250 9.313 -27.407 1.00 70.12 H new ATOM 0 HG1 THR A 77 31.592 10.486 -26.208 1.00 4.33 H new ATOM 0 HG21 THR A 77 32.983 9.006 -24.972 1.00 65.33 H new ATOM 0 HG22 THR A 77 34.688 8.888 -25.469 1.00 65.33 H new ATOM 0 HG23 THR A 77 34.091 10.369 -24.685 1.00 65.33 H new ATOM 1198 N PRO A 78 36.851 9.848 -26.930 1.00 63.14 N ATOM 1199 CA PRO A 78 38.034 9.026 -27.247 1.00 44.41 C ATOM 1200 C PRO A 78 37.694 7.598 -27.676 1.00 73.22 C ATOM 1201 O PRO A 78 38.331 7.052 -28.575 1.00 62.52 O ATOM 1202 CB PRO A 78 38.814 9.008 -25.933 1.00 13.24 C ATOM 1203 CG PRO A 78 38.424 10.267 -25.248 1.00 24.53 C ATOM 1204 CD PRO A 78 36.988 10.506 -25.615 1.00 62.11 C ATOM 0 HA PRO A 78 38.582 9.440 -28.094 1.00 44.41 H new ATOM 0 HB2 PRO A 78 38.559 8.135 -25.333 1.00 13.24 H new ATOM 0 HB3 PRO A 78 39.889 8.970 -26.111 1.00 13.24 H new ATOM 0 HG2 PRO A 78 38.542 10.177 -24.168 1.00 24.53 H new ATOM 0 HG3 PRO A 78 39.053 11.097 -25.569 1.00 24.53 H new ATOM 0 HD2 PRO A 78 36.309 10.076 -24.879 1.00 62.11 H new ATOM 0 HD3 PRO A 78 36.761 11.571 -25.674 1.00 62.11 H new ATOM 1212 N GLU A 79 36.668 7.019 -27.055 1.00 53.55 N ATOM 1213 CA GLU A 79 36.279 5.627 -27.300 1.00 13.34 C ATOM 1214 C GLU A 79 36.100 5.328 -28.793 1.00 42.02 C ATOM 1215 O GLU A 79 36.394 4.227 -29.257 1.00 71.44 O ATOM 1216 CB GLU A 79 34.981 5.314 -26.544 1.00 73.21 C ATOM 1217 CG GLU A 79 33.801 6.187 -26.960 1.00 74.52 C ATOM 1218 CD GLU A 79 32.537 5.890 -26.178 1.00 5.43 C ATOM 1219 OE1 GLU A 79 31.890 4.857 -26.451 1.00 63.15 O ATOM 1220 OE2 GLU A 79 32.179 6.694 -25.292 1.00 62.13 O1- ATOM 0 H GLU A 79 36.083 7.498 -26.370 1.00 53.55 H new ATOM 0 HA GLU A 79 37.086 4.990 -26.937 1.00 13.34 H new ATOM 0 HB2 GLU A 79 34.721 4.268 -26.704 1.00 73.21 H new ATOM 0 HB3 GLU A 79 35.155 5.439 -25.475 1.00 73.21 H new ATOM 0 HG2 GLU A 79 34.067 7.235 -26.825 1.00 74.52 H new ATOM 0 HG3 GLU A 79 33.606 6.042 -28.023 1.00 74.52 H new ATOM 1227 N GLN A 80 35.622 6.313 -29.539 1.00 45.33 N ATOM 1228 CA GLN A 80 35.369 6.144 -30.962 1.00 74.25 C ATOM 1229 C GLN A 80 36.612 6.474 -31.789 1.00 73.11 C ATOM 1230 O GLN A 80 36.725 6.072 -32.949 1.00 61.03 O ATOM 1231 CB GLN A 80 34.190 7.027 -31.384 1.00 42.54 C ATOM 1232 CG GLN A 80 33.811 6.888 -32.849 1.00 40.33 C ATOM 1233 CD GLN A 80 32.590 7.706 -33.219 1.00 61.53 C ATOM 1234 OE1 GLN A 80 31.418 7.099 -33.127 1.00 12.31 O flip ATOM 1235 NE2 GLN A 80 32.699 8.870 -33.594 1.00 14.43 N flip ATOM 0 H GLN A 80 35.401 7.242 -29.180 1.00 45.33 H new ATOM 0 HA GLN A 80 35.119 5.099 -31.148 1.00 74.25 H new ATOM 0 HB2 GLN A 80 33.325 6.779 -30.770 1.00 42.54 H new ATOM 0 HB3 GLN A 80 34.437 8.069 -31.180 1.00 42.54 H new ATOM 0 HG2 GLN A 80 34.652 7.199 -33.468 1.00 40.33 H new ATOM 0 HG3 GLN A 80 33.621 5.838 -33.073 1.00 40.33 H new ATOM 0 HE21 GLN A 80 33.621 9.303 -33.652 1.00 14.43 H new ATOM 0 HE22 GLN A 80 31.868 9.404 -33.848 1.00 14.43 H new ATOM 1244 N LEU A 81 37.552 7.188 -31.185 1.00 2.24 N ATOM 1245 CA LEU A 81 38.690 7.718 -31.924 1.00 73.11 C ATOM 1246 C LEU A 81 39.845 6.716 -31.982 1.00 31.23 C ATOM 1247 O LEU A 81 40.617 6.705 -32.943 1.00 13.32 O ATOM 1248 CB LEU A 81 39.159 9.032 -31.292 1.00 12.23 C ATOM 1249 CG LEU A 81 40.227 9.795 -32.081 1.00 34.10 C ATOM 1250 CD1 LEU A 81 39.711 10.169 -33.463 1.00 12.24 C ATOM 1251 CD2 LEU A 81 40.666 11.037 -31.320 1.00 63.31 C ATOM 0 H LEU A 81 37.550 7.413 -30.190 1.00 2.24 H new ATOM 0 HA LEU A 81 38.365 7.905 -32.948 1.00 73.11 H new ATOM 0 HB2 LEU A 81 38.294 9.682 -31.162 1.00 12.23 H new ATOM 0 HB3 LEU A 81 39.550 8.818 -30.297 1.00 12.23 H new ATOM 0 HG LEU A 81 41.092 9.143 -32.205 1.00 34.10 H new ATOM 0 HD11 LEU A 81 40.486 10.710 -34.006 1.00 12.24 H new ATOM 0 HD12 LEU A 81 39.449 9.264 -34.011 1.00 12.24 H new ATOM 0 HD13 LEU A 81 38.829 10.801 -33.363 1.00 12.24 H new ATOM 0 HD21 LEU A 81 41.425 11.567 -31.895 1.00 63.31 H new ATOM 0 HD22 LEU A 81 39.808 11.690 -31.164 1.00 63.31 H new ATOM 0 HD23 LEU A 81 41.080 10.745 -30.355 1.00 63.31 H new ATOM 1263 N GLY A 82 39.974 5.882 -30.959 1.00 62.20 N ATOM 1264 CA GLY A 82 41.024 4.882 -30.960 1.00 2.54 C ATOM 1265 C GLY A 82 42.070 5.209 -29.927 1.00 50.45 C ATOM 1266 O GLY A 82 42.849 4.350 -29.509 1.00 62.11 O ATOM 0 H GLY A 82 39.375 5.879 -30.133 1.00 62.20 H new ATOM 0 HA2 GLY A 82 40.598 3.900 -30.755 1.00 2.54 H new ATOM 0 HA3 GLY A 82 41.484 4.831 -31.947 1.00 2.54 H new ATOM 1270 N ILE A 83 42.079 6.468 -29.519 1.00 21.12 N ATOM 1271 CA ILE A 83 42.856 6.894 -28.376 1.00 62.23 C ATOM 1272 C ILE A 83 41.954 6.797 -27.157 1.00 53.32 C ATOM 1273 O ILE A 83 40.733 6.777 -27.295 1.00 34.30 O ATOM 1274 CB ILE A 83 43.391 8.339 -28.535 1.00 12.34 C ATOM 1275 CG1 ILE A 83 44.427 8.649 -27.449 1.00 11.32 C ATOM 1276 CG2 ILE A 83 42.254 9.351 -28.493 1.00 63.43 C ATOM 1277 CD1 ILE A 83 45.724 7.891 -27.619 1.00 21.45 C ATOM 0 H ILE A 83 41.551 7.215 -29.970 1.00 21.12 H new ATOM 0 HA ILE A 83 43.732 6.253 -28.275 1.00 62.23 H new ATOM 0 HB ILE A 83 43.874 8.416 -29.509 1.00 12.34 H new ATOM 0 HG12 ILE A 83 44.637 9.719 -27.453 1.00 11.32 H new ATOM 0 HG13 ILE A 83 44.002 8.412 -26.474 1.00 11.32 H new ATOM 0 HG21 ILE A 83 42.658 10.357 -28.607 1.00 63.43 H new ATOM 0 HG22 ILE A 83 41.555 9.147 -29.304 1.00 63.43 H new ATOM 0 HG23 ILE A 83 41.734 9.275 -27.538 1.00 63.43 H new ATOM 0 HD11 ILE A 83 46.410 8.159 -26.816 1.00 21.45 H new ATOM 0 HD12 ILE A 83 45.526 6.820 -27.585 1.00 21.45 H new ATOM 0 HD13 ILE A 83 46.172 8.147 -28.579 1.00 21.45 H new ATOM 1289 N GLU A 84 42.529 6.724 -25.982 1.00 64.03 N ATOM 1290 CA GLU A 84 41.745 6.521 -24.786 1.00 52.21 C ATOM 1291 C GLU A 84 42.506 7.104 -23.594 1.00 4.41 C ATOM 1292 O GLU A 84 43.533 7.751 -23.805 1.00 32.15 O ATOM 1293 CB GLU A 84 41.449 5.022 -24.652 1.00 52.31 C ATOM 1294 CG GLU A 84 40.300 4.676 -23.723 1.00 42.14 C ATOM 1295 CD GLU A 84 39.977 3.196 -23.743 1.00 24.00 C ATOM 1296 OE1 GLU A 84 40.376 2.483 -22.799 1.00 30.13 O ATOM 1297 OE2 GLU A 84 39.330 2.737 -24.707 1.00 13.42 O1- ATOM 0 H GLU A 84 43.534 6.802 -25.827 1.00 64.03 H new ATOM 0 HA GLU A 84 40.786 7.037 -24.830 1.00 52.21 H new ATOM 0 HB2 GLU A 84 41.230 4.620 -25.641 1.00 52.31 H new ATOM 0 HB3 GLU A 84 42.348 4.520 -24.296 1.00 52.31 H new ATOM 0 HG2 GLU A 84 40.553 4.978 -22.707 1.00 42.14 H new ATOM 0 HG3 GLU A 84 39.416 5.244 -24.014 1.00 42.14 H new ATOM 1304 N ASP A 85 42.027 6.866 -22.366 1.00 34.14 N ATOM 1305 CA ASP A 85 42.535 7.571 -21.177 1.00 62.20 C ATOM 1306 C ASP A 85 44.059 7.592 -21.122 1.00 24.11 C ATOM 1307 O ASP A 85 44.727 6.559 -21.220 1.00 63.13 O ATOM 1308 CB ASP A 85 41.962 6.981 -19.878 1.00 41.01 C ATOM 1309 CG ASP A 85 42.428 5.570 -19.578 1.00 33.33 C ATOM 1310 OD1 ASP A 85 43.211 5.386 -18.622 1.00 0.20 O ATOM 1311 OD2 ASP A 85 41.989 4.635 -20.279 1.00 54.52 O1- ATOM 0 H ASP A 85 41.288 6.191 -22.168 1.00 34.14 H new ATOM 0 HA ASP A 85 42.193 8.602 -21.266 1.00 62.20 H new ATOM 0 HB2 ASP A 85 42.239 7.628 -19.045 1.00 41.01 H new ATOM 0 HB3 ASP A 85 40.874 6.987 -19.938 1.00 41.01 H new ATOM 1316 N GLY A 86 44.594 8.794 -20.988 1.00 32.23 N ATOM 1317 CA GLY A 86 46.024 8.992 -21.018 1.00 42.34 C ATOM 1318 C GLY A 86 46.422 9.869 -22.186 1.00 60.32 C ATOM 1319 O GLY A 86 47.608 10.098 -22.438 1.00 42.55 O ATOM 0 H GLY A 86 44.052 9.648 -20.857 1.00 32.23 H new ATOM 0 HA2 GLY A 86 46.352 9.451 -20.085 1.00 42.34 H new ATOM 0 HA3 GLY A 86 46.527 8.028 -21.093 1.00 42.34 H new ATOM 1323 N ASP A 87 45.416 10.359 -22.898 1.00 21.12 N ATOM 1324 CA ASP A 87 45.624 11.196 -24.073 1.00 23.23 C ATOM 1325 C ASP A 87 45.773 12.663 -23.682 1.00 62.04 C ATOM 1326 O ASP A 87 45.855 13.003 -22.494 1.00 50.43 O ATOM 1327 CB ASP A 87 44.463 11.027 -25.059 1.00 41.43 C ATOM 1328 CG ASP A 87 43.132 11.484 -24.491 1.00 70.52 C ATOM 1329 OD1 ASP A 87 42.633 10.831 -23.548 1.00 13.22 O ATOM 1330 OD2 ASP A 87 42.585 12.486 -24.995 1.00 3.13 O1- ATOM 0 H ASP A 87 44.435 10.188 -22.678 1.00 21.12 H new ATOM 0 HA ASP A 87 46.548 10.877 -24.555 1.00 23.23 H new ATOM 0 HB2 ASP A 87 44.678 11.592 -25.966 1.00 41.43 H new ATOM 0 HB3 ASP A 87 44.388 9.979 -25.347 1.00 41.43 H new ATOM 1335 N VAL A 88 45.835 13.533 -24.685 1.00 40.21 N ATOM 1336 CA VAL A 88 46.032 14.953 -24.444 1.00 30.05 C ATOM 1337 C VAL A 88 45.172 15.800 -25.379 1.00 62.31 C ATOM 1338 O VAL A 88 44.891 15.420 -26.522 1.00 44.01 O ATOM 1339 CB VAL A 88 47.516 15.382 -24.603 1.00 1.54 C ATOM 1340 CG1 VAL A 88 48.432 14.567 -23.703 1.00 21.12 C ATOM 1341 CG2 VAL A 88 47.959 15.279 -26.052 1.00 55.10 C ATOM 0 H VAL A 88 45.752 13.278 -25.669 1.00 40.21 H new ATOM 0 HA VAL A 88 45.731 15.124 -23.411 1.00 30.05 H new ATOM 0 HB VAL A 88 47.589 16.425 -24.295 1.00 1.54 H new ATOM 0 HG11 VAL A 88 49.463 14.894 -23.841 1.00 21.12 H new ATOM 0 HG12 VAL A 88 48.142 14.711 -22.662 1.00 21.12 H new ATOM 0 HG13 VAL A 88 48.349 13.511 -23.960 1.00 21.12 H new ATOM 0 HG21 VAL A 88 49.002 15.585 -26.136 1.00 55.10 H new ATOM 0 HG22 VAL A 88 47.855 14.249 -26.392 1.00 55.10 H new ATOM 0 HG23 VAL A 88 47.339 15.929 -26.669 1.00 55.10 H new ATOM 1351 N ILE A 89 44.765 16.950 -24.875 1.00 14.43 N ATOM 1352 CA ILE A 89 44.024 17.923 -25.654 1.00 51.25 C ATOM 1353 C ILE A 89 44.825 19.218 -25.721 1.00 71.31 C ATOM 1354 O ILE A 89 45.029 19.873 -24.706 1.00 41.13 O ATOM 1355 CB ILE A 89 42.646 18.229 -25.021 1.00 64.41 C ATOM 1356 CG1 ILE A 89 41.848 16.936 -24.817 1.00 0.23 C ATOM 1357 CG2 ILE A 89 41.864 19.207 -25.890 1.00 64.41 C ATOM 1358 CD1 ILE A 89 40.567 17.127 -24.031 1.00 62.23 C ATOM 0 H ILE A 89 44.940 17.236 -23.912 1.00 14.43 H new ATOM 0 HA ILE A 89 43.863 17.508 -26.649 1.00 51.25 H new ATOM 0 HB ILE A 89 42.810 18.689 -24.047 1.00 64.41 H new ATOM 0 HG12 ILE A 89 41.606 16.512 -25.791 1.00 0.23 H new ATOM 0 HG13 ILE A 89 42.476 16.210 -24.300 1.00 0.23 H new ATOM 0 HG21 ILE A 89 40.897 19.411 -25.429 1.00 64.41 H new ATOM 0 HG22 ILE A 89 42.424 20.137 -25.985 1.00 64.41 H new ATOM 0 HG23 ILE A 89 41.711 18.773 -26.878 1.00 64.41 H new ATOM 0 HD11 ILE A 89 40.057 16.169 -23.927 1.00 62.23 H new ATOM 0 HD12 ILE A 89 40.802 17.522 -23.043 1.00 62.23 H new ATOM 0 HD13 ILE A 89 39.919 17.828 -24.557 1.00 62.23 H new ATOM 1370 N ASP A 90 45.278 19.580 -26.902 1.00 34.30 N ATOM 1371 CA ASP A 90 46.083 20.783 -27.061 1.00 21.13 C ATOM 1372 C ASP A 90 45.216 21.914 -27.572 1.00 54.30 C ATOM 1373 O ASP A 90 44.628 21.819 -28.647 1.00 1.13 O ATOM 1374 CB ASP A 90 47.236 20.524 -28.023 1.00 33.21 C ATOM 1375 CG ASP A 90 48.117 21.740 -28.228 1.00 41.43 C ATOM 1376 OD1 ASP A 90 48.291 22.159 -29.392 1.00 53.43 O ATOM 1377 OD2 ASP A 90 48.644 22.268 -27.229 1.00 21.31 O1- ATOM 0 H ASP A 90 45.106 19.065 -27.765 1.00 34.30 H new ATOM 0 HA ASP A 90 46.498 21.063 -26.093 1.00 21.13 H new ATOM 0 HB2 ASP A 90 47.842 19.702 -27.642 1.00 33.21 H new ATOM 0 HB3 ASP A 90 46.835 20.205 -28.985 1.00 33.21 H new ATOM 1382 N ALA A 91 45.101 22.966 -26.786 1.00 30.14 N ATOM 1383 CA ALA A 91 44.251 24.080 -27.157 1.00 22.54 C ATOM 1384 C ALA A 91 45.075 25.305 -27.513 1.00 62.41 C ATOM 1385 O ALA A 91 45.789 25.852 -26.680 1.00 34.40 O ATOM 1386 CB ALA A 91 43.285 24.398 -26.028 1.00 33.33 C ATOM 0 H ALA A 91 45.582 23.073 -25.893 1.00 30.14 H new ATOM 0 HA ALA A 91 43.681 23.794 -28.041 1.00 22.54 H new ATOM 0 HB1 ALA A 91 42.651 25.236 -26.317 1.00 33.33 H new ATOM 0 HB2 ALA A 91 42.663 23.526 -25.825 1.00 33.33 H new ATOM 0 HB3 ALA A 91 43.847 24.660 -25.131 1.00 33.33 H new ATOM 1392 N MET A 92 44.958 25.736 -28.758 1.00 14.35 N ATOM 1393 CA MET A 92 45.618 26.950 -29.211 1.00 13.21 C ATOM 1394 C MET A 92 44.574 28.030 -29.432 1.00 25.02 C ATOM 1395 O MET A 92 43.463 27.724 -29.864 1.00 71.52 O ATOM 1396 CB MET A 92 46.395 26.697 -30.506 1.00 64.53 C ATOM 1397 CG MET A 92 47.547 25.714 -30.364 1.00 30.25 C ATOM 1398 SD MET A 92 48.517 25.575 -31.877 1.00 45.45 S ATOM 1399 CE MET A 92 49.758 24.394 -31.356 1.00 51.31 C ATOM 0 H MET A 92 44.410 25.261 -29.476 1.00 14.35 H new ATOM 0 HA MET A 92 46.328 27.273 -28.450 1.00 13.21 H new ATOM 0 HB2 MET A 92 45.705 26.323 -31.262 1.00 64.53 H new ATOM 0 HB3 MET A 92 46.786 27.646 -30.872 1.00 64.53 H new ATOM 0 HG2 MET A 92 48.195 26.032 -29.547 1.00 30.25 H new ATOM 0 HG3 MET A 92 47.154 24.733 -30.095 1.00 30.25 H new ATOM 0 HE1 MET A 92 50.622 24.458 -32.017 1.00 51.31 H new ATOM 0 HE2 MET A 92 50.066 24.617 -30.334 1.00 51.31 H new ATOM 0 HE3 MET A 92 49.343 23.387 -31.399 1.00 51.31 H new ATOM 1409 N VAL A 93 44.929 29.280 -29.143 1.00 70.32 N ATOM 1410 CA VAL A 93 43.985 30.399 -29.223 1.00 3.20 C ATOM 1411 C VAL A 93 43.307 30.459 -30.593 1.00 75.10 C ATOM 1412 O VAL A 93 43.869 31.003 -31.546 1.00 71.31 O ATOM 1413 CB VAL A 93 44.677 31.749 -28.931 1.00 52.22 C ATOM 1414 CG1 VAL A 93 43.665 32.886 -28.956 1.00 3.43 C ATOM 1415 CG2 VAL A 93 45.400 31.707 -27.591 1.00 10.04 C ATOM 0 H VAL A 93 45.869 29.547 -28.849 1.00 70.32 H new ATOM 0 HA VAL A 93 43.226 30.224 -28.460 1.00 3.20 H new ATOM 0 HB VAL A 93 45.416 31.928 -29.712 1.00 52.22 H new ATOM 0 HG11 VAL A 93 44.171 33.829 -28.748 1.00 3.43 H new ATOM 0 HG12 VAL A 93 43.197 32.935 -29.939 1.00 3.43 H new ATOM 0 HG13 VAL A 93 42.901 32.710 -28.199 1.00 3.43 H new ATOM 0 HG21 VAL A 93 45.880 32.668 -27.406 1.00 10.04 H new ATOM 0 HG22 VAL A 93 44.682 31.501 -26.797 1.00 10.04 H new ATOM 0 HG23 VAL A 93 46.156 30.922 -27.610 1.00 10.04 H new ATOM 1425 N GLN A 94 42.092 29.884 -30.648 1.00 13.31 N ATOM 1426 CA GLN A 94 41.300 29.723 -31.875 1.00 14.42 C ATOM 1427 C GLN A 94 42.170 29.647 -33.128 1.00 61.22 C ATOM 1428 O GLN A 94 42.026 30.447 -34.048 1.00 71.22 O ATOM 1429 CB GLN A 94 40.226 30.819 -32.003 1.00 11.34 C ATOM 1430 CG GLN A 94 40.636 32.177 -31.455 1.00 20.20 C ATOM 1431 CD GLN A 94 39.651 33.273 -31.809 1.00 32.33 C ATOM 1432 OE1 GLN A 94 38.718 33.560 -31.055 1.00 74.30 O ATOM 1433 NE2 GLN A 94 39.838 33.882 -32.968 1.00 24.31 N ATOM 0 H GLN A 94 41.626 29.511 -29.821 1.00 13.31 H new ATOM 0 HA GLN A 94 40.789 28.764 -31.790 1.00 14.42 H new ATOM 0 HB2 GLN A 94 39.964 30.931 -33.055 1.00 11.34 H new ATOM 0 HB3 GLN A 94 39.326 30.489 -31.484 1.00 11.34 H new ATOM 0 HG2 GLN A 94 40.728 32.114 -30.371 1.00 20.20 H new ATOM 0 HG3 GLN A 94 41.620 32.439 -31.844 1.00 20.20 H new ATOM 0 HE21 GLN A 94 40.622 33.616 -33.563 1.00 24.31 H new ATOM 0 HE22 GLN A 94 39.198 34.618 -33.266 1.00 24.31 H new