USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=12 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 Single : A 22 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.45) USER MOD Single : A 24 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.32) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0.338 (180deg=0.309) USER MOD Single : A 29 SER OG : rot 75:sc= -0.111 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= -0.0338 (180deg=-0.34) USER MOD Single : A 43 THR OG1 : rot 50:sc= 0.495 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -1.83 (180deg=-1.99!) USER MOD Single : A 47 LYS NZ :NH3+ -122:sc= -0.137 (180deg=-1.52!) USER MOD Single : A 49 MET CE :methyl -117:sc= -0.447 (180deg=-3.15!) USER MOD Single : A 52 TYR OH : rot -71:sc= -0.293 USER MOD Single : A 53 CYS SG : rot 178:sc= -2.14! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 59 SER OG : rot 145:sc= 0.601 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 65:sc= 0.117 USER MOD Single : A 73 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.0082) USER MOD Single : A 76 ASN : amide:sc= -3.56! C(o=-3.6!,f=-5.5!) USER MOD Single : A 77 THR OG1 : rot -14:sc= 1.11 USER MOD Single : A 80 GLN : amide:sc= -4.83! K(o=-4.8!,f=-0.73) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 268 N HIS A 22 37.820 5.111 -14.929 1.00 3.23 N ATOM 269 CA HIS A 22 37.719 6.489 -15.386 1.00 12.43 C ATOM 270 C HIS A 22 38.452 6.715 -16.701 1.00 51.25 C ATOM 271 O HIS A 22 39.194 5.854 -17.182 1.00 12.05 O ATOM 272 CB HIS A 22 38.298 7.443 -14.338 1.00 71.14 C ATOM 273 CG HIS A 22 37.649 7.364 -12.988 1.00 44.35 C ATOM 274 ND1 HIS A 22 36.518 6.624 -12.729 1.00 50.21 N ATOM 275 CD2 HIS A 22 38.000 7.933 -11.811 1.00 44.15 C ATOM 276 CE1 HIS A 22 36.199 6.744 -11.457 1.00 41.13 C ATOM 277 NE2 HIS A 22 37.081 7.531 -10.876 1.00 12.14 N ATOM 0 HA HIS A 22 36.659 6.689 -15.540 1.00 12.43 H new ATOM 0 HB2 HIS A 22 39.362 7.235 -14.227 1.00 71.14 H new ATOM 0 HB3 HIS A 22 38.210 8.464 -14.709 1.00 71.14 H new ATOM 0 HD2 HIS A 22 38.846 8.582 -11.640 1.00 44.15 H new ATOM 0 HE1 HIS A 22 35.356 6.276 -10.972 1.00 41.13 H new ATOM 0 HE2 HIS A 22 37.081 7.798 -9.892 1.00 12.14 H new ATOM 286 N ILE A 23 38.246 7.896 -17.261 1.00 0.22 N ATOM 287 CA ILE A 23 38.978 8.332 -18.433 1.00 11.25 C ATOM 288 C ILE A 23 39.914 9.459 -18.004 1.00 22.25 C ATOM 289 O ILE A 23 39.761 10.001 -16.914 1.00 42.51 O ATOM 290 CB ILE A 23 38.022 8.807 -19.556 1.00 3.34 C ATOM 291 CG1 ILE A 23 36.910 7.774 -19.771 1.00 25.13 C ATOM 292 CG2 ILE A 23 38.782 9.037 -20.860 1.00 32.34 C ATOM 293 CD1 ILE A 23 35.876 8.204 -20.792 1.00 44.31 C ATOM 0 H ILE A 23 37.568 8.575 -16.915 1.00 0.22 H new ATOM 0 HA ILE A 23 39.549 7.498 -18.842 1.00 11.25 H new ATOM 0 HB ILE A 23 37.578 9.754 -19.248 1.00 3.34 H new ATOM 0 HG12 ILE A 23 37.356 6.833 -20.092 1.00 25.13 H new ATOM 0 HG13 ILE A 23 36.413 7.583 -18.820 1.00 25.13 H new ATOM 0 HG21 ILE A 23 38.088 9.370 -21.632 1.00 32.34 H new ATOM 0 HG22 ILE A 23 39.546 9.799 -20.706 1.00 32.34 H new ATOM 0 HG23 ILE A 23 39.255 8.107 -21.174 1.00 32.34 H new ATOM 0 HD11 ILE A 23 35.120 7.426 -20.894 1.00 44.31 H new ATOM 0 HD12 ILE A 23 35.403 9.129 -20.463 1.00 44.31 H new ATOM 0 HD13 ILE A 23 36.361 8.367 -21.755 1.00 44.31 H new ATOM 305 N GLN A 24 40.865 9.817 -18.846 1.00 71.43 N ATOM 306 CA GLN A 24 41.922 10.742 -18.460 1.00 11.44 C ATOM 307 C GLN A 24 42.616 11.319 -19.685 1.00 52.41 C ATOM 308 O GLN A 24 43.131 10.580 -20.522 1.00 4.25 O ATOM 309 CB GLN A 24 42.956 10.020 -17.596 1.00 34.22 C ATOM 310 CG GLN A 24 43.893 10.952 -16.852 1.00 45.54 C ATOM 311 CD GLN A 24 44.926 10.199 -16.041 1.00 43.44 C ATOM 312 OE1 GLN A 24 46.030 9.929 -16.513 1.00 20.15 O ATOM 313 NE2 GLN A 24 44.566 9.830 -14.823 1.00 11.15 N ATOM 0 H GLN A 24 40.930 9.481 -19.807 1.00 71.43 H new ATOM 0 HA GLN A 24 41.467 11.556 -17.896 1.00 11.44 H new ATOM 0 HB2 GLN A 24 42.436 9.391 -16.874 1.00 34.22 H new ATOM 0 HB3 GLN A 24 43.546 9.357 -18.230 1.00 34.22 H new ATOM 0 HG2 GLN A 24 44.398 11.602 -17.566 1.00 45.54 H new ATOM 0 HG3 GLN A 24 43.313 11.595 -16.190 1.00 45.54 H new ATOM 0 HE21 GLN A 24 43.641 10.074 -14.469 1.00 11.15 H new ATOM 0 HE22 GLN A 24 45.213 9.302 -14.238 1.00 11.15 H new ATOM 322 N VAL A 25 42.636 12.632 -19.775 1.00 72.33 N ATOM 323 CA VAL A 25 43.327 13.317 -20.850 1.00 2.21 C ATOM 324 C VAL A 25 44.086 14.502 -20.287 1.00 52.41 C ATOM 325 O VAL A 25 43.608 15.182 -19.380 1.00 50.52 O ATOM 326 CB VAL A 25 42.357 13.803 -21.952 1.00 44.32 C ATOM 327 CG1 VAL A 25 41.794 12.628 -22.741 1.00 41.00 C ATOM 328 CG2 VAL A 25 41.230 14.630 -21.349 1.00 73.23 C ATOM 0 H VAL A 25 42.177 13.253 -19.109 1.00 72.33 H new ATOM 0 HA VAL A 25 44.015 12.605 -21.307 1.00 2.21 H new ATOM 0 HB VAL A 25 42.919 14.435 -22.640 1.00 44.32 H new ATOM 0 HG11 VAL A 25 41.115 12.998 -23.509 1.00 41.00 H new ATOM 0 HG12 VAL A 25 42.611 12.081 -23.211 1.00 41.00 H new ATOM 0 HG13 VAL A 25 41.253 11.964 -22.068 1.00 41.00 H new ATOM 0 HG21 VAL A 25 40.559 14.962 -22.141 1.00 73.23 H new ATOM 0 HG22 VAL A 25 40.675 14.022 -20.634 1.00 73.23 H new ATOM 0 HG23 VAL A 25 41.648 15.498 -20.840 1.00 73.23 H new ATOM 338 N LYS A 26 45.265 14.760 -20.803 1.00 74.44 N ATOM 339 CA LYS A 26 46.028 15.887 -20.321 1.00 34.43 C ATOM 340 C LYS A 26 45.867 17.035 -21.281 1.00 4.33 C ATOM 341 O LYS A 26 46.374 16.998 -22.395 1.00 44.10 O ATOM 342 CB LYS A 26 47.498 15.521 -20.182 1.00 54.54 C ATOM 343 CG LYS A 26 48.074 15.903 -18.835 1.00 22.30 C ATOM 344 CD LYS A 26 49.579 15.705 -18.789 1.00 20.41 C ATOM 345 CE LYS A 26 49.967 14.284 -19.159 1.00 55.05 C ATOM 346 NZ LYS A 26 51.431 14.153 -19.375 1.00 31.31 N1+ ATOM 0 H LYS A 26 45.710 14.217 -21.543 1.00 74.44 H new ATOM 0 HA LYS A 26 45.658 16.176 -19.337 1.00 34.43 H new ATOM 0 HB2 LYS A 26 47.616 14.448 -20.331 1.00 54.54 H new ATOM 0 HB3 LYS A 26 48.067 16.016 -20.969 1.00 54.54 H new ATOM 0 HG2 LYS A 26 47.838 16.945 -18.621 1.00 22.30 H new ATOM 0 HG3 LYS A 26 47.604 15.303 -18.055 1.00 22.30 H new ATOM 0 HD2 LYS A 26 50.060 16.404 -19.473 1.00 20.41 H new ATOM 0 HD3 LYS A 26 49.946 15.935 -17.789 1.00 20.41 H new ATOM 0 HE2 LYS A 26 49.654 13.603 -18.367 1.00 55.05 H new ATOM 0 HE3 LYS A 26 49.437 13.986 -20.064 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 51.643 13.209 -19.756 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 51.749 14.878 -20.050 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 51.928 14.281 -18.470 1.00 31.31 H new ATOM 360 N VAL A 27 45.186 18.070 -20.841 1.00 15.45 N ATOM 361 CA VAL A 27 44.880 19.166 -21.703 1.00 72.53 C ATOM 362 C VAL A 27 45.927 20.227 -21.512 1.00 72.32 C ATOM 363 O VAL A 27 45.906 20.968 -20.530 1.00 14.32 O ATOM 364 CB VAL A 27 43.465 19.739 -21.442 1.00 61.10 C ATOM 365 CG1 VAL A 27 43.176 20.910 -22.368 1.00 55.43 C ATOM 366 CG2 VAL A 27 42.411 18.654 -21.612 1.00 73.33 C ATOM 0 H VAL A 27 44.837 18.166 -19.887 1.00 15.45 H new ATOM 0 HA VAL A 27 44.883 18.813 -22.734 1.00 72.53 H new ATOM 0 HB VAL A 27 43.429 20.100 -20.414 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.177 21.296 -22.166 1.00 55.43 H new ATOM 0 HG12 VAL A 27 43.910 21.698 -22.198 1.00 55.43 H new ATOM 0 HG13 VAL A 27 43.234 20.577 -23.404 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.423 19.074 -21.425 1.00 73.33 H new ATOM 0 HG22 VAL A 27 42.452 18.263 -22.628 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.602 17.847 -20.905 1.00 73.33 H new ATOM 376 N ARG A 28 46.880 20.250 -22.418 1.00 64.53 N ATOM 377 CA ARG A 28 47.865 21.290 -22.415 1.00 65.22 C ATOM 378 C ARG A 28 47.182 22.552 -22.828 1.00 63.41 C ATOM 379 O ARG A 28 46.824 22.734 -23.994 1.00 71.22 O ATOM 380 CB ARG A 28 49.020 20.983 -23.359 1.00 24.25 C ATOM 381 CG ARG A 28 49.925 22.172 -23.627 1.00 22.13 C ATOM 382 CD ARG A 28 51.040 21.793 -24.571 1.00 44.34 C ATOM 383 NE ARG A 28 51.914 22.922 -24.883 1.00 65.10 N ATOM 384 CZ ARG A 28 52.439 23.144 -26.086 1.00 45.54 C ATOM 385 NH1 ARG A 28 52.066 22.410 -27.121 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 53.294 24.142 -26.272 1.00 23.30 N ATOM 0 H ARG A 28 46.987 19.559 -23.161 1.00 64.53 H new ATOM 0 HA ARG A 28 48.294 21.382 -21.417 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.615 20.173 -22.938 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.617 20.624 -24.306 1.00 24.25 H new ATOM 0 HG2 ARG A 28 49.343 22.989 -24.053 1.00 22.13 H new ATOM 0 HG3 ARG A 28 50.344 22.535 -22.689 1.00 22.13 H new ATOM 0 HD2 ARG A 28 51.631 20.991 -24.128 1.00 44.34 H new ATOM 0 HD3 ARG A 28 50.613 21.401 -25.494 1.00 44.34 H new ATOM 0 HE ARG A 28 52.135 23.579 -24.135 1.00 65.10 H new ATOM 0 HH11 ARG A 28 51.374 21.671 -26.999 1.00 33.24 H new ATOM 0 HH12 ARG A 28 52.471 22.583 -28.041 1.00 33.24 H new ATOM 0 HH21 ARG A 28 53.553 24.744 -25.491 1.00 23.30 H new ATOM 0 HH22 ARG A 28 53.693 24.307 -27.196 1.00 23.30 H new ATOM 400 N SER A 29 46.945 23.394 -21.860 1.00 62.33 N ATOM 401 CA SER A 29 46.274 24.628 -22.128 1.00 61.53 C ATOM 402 C SER A 29 47.161 25.507 -23.023 1.00 72.53 C ATOM 403 O SER A 29 48.361 25.231 -23.154 1.00 31.23 O ATOM 404 CB SER A 29 45.894 25.318 -20.812 1.00 54.21 C ATOM 405 OG SER A 29 46.975 25.316 -19.896 1.00 31.13 O ATOM 0 H SER A 29 47.206 23.246 -20.885 1.00 62.33 H new ATOM 0 HA SER A 29 45.345 24.443 -22.667 1.00 61.53 H new ATOM 0 HB2 SER A 29 45.587 26.345 -21.013 1.00 54.21 H new ATOM 0 HB3 SER A 29 45.038 24.811 -20.368 1.00 54.21 H new ATOM 0 HG SER A 29 47.644 25.975 -20.178 1.00 31.13 H new ATOM 411 N PRO A 30 46.604 26.570 -23.645 1.00 15.42 N ATOM 412 CA PRO A 30 47.301 27.351 -24.693 1.00 23.11 C ATOM 413 C PRO A 30 48.510 28.158 -24.197 1.00 5.11 C ATOM 414 O PRO A 30 48.836 29.207 -24.758 1.00 72.52 O ATOM 415 CB PRO A 30 46.212 28.300 -25.203 1.00 45.42 C ATOM 416 CG PRO A 30 45.263 28.435 -24.068 1.00 63.25 C ATOM 417 CD PRO A 30 45.250 27.098 -23.387 1.00 61.25 C ATOM 0 HA PRO A 30 47.726 26.686 -25.445 1.00 23.11 H new ATOM 0 HB2 PRO A 30 46.630 29.266 -25.486 1.00 45.42 H new ATOM 0 HB3 PRO A 30 45.717 27.896 -26.086 1.00 45.42 H new ATOM 0 HG2 PRO A 30 45.582 29.220 -23.383 1.00 63.25 H new ATOM 0 HG3 PRO A 30 44.267 28.704 -24.420 1.00 63.25 H new ATOM 0 HD2 PRO A 30 45.052 27.193 -22.319 1.00 61.25 H new ATOM 0 HD3 PRO A 30 44.479 26.445 -23.797 1.00 61.25 H new ATOM 425 N ASP A 31 49.184 27.661 -23.172 1.00 62.14 N ATOM 426 CA ASP A 31 50.387 28.303 -22.663 1.00 43.34 C ATOM 427 C ASP A 31 51.489 27.266 -22.494 1.00 13.04 C ATOM 428 O ASP A 31 52.676 27.593 -22.500 1.00 21.24 O ATOM 429 CB ASP A 31 50.121 28.998 -21.324 1.00 0.44 C ATOM 430 CG ASP A 31 50.134 28.033 -20.158 1.00 63.12 C ATOM 431 OD1 ASP A 31 49.330 27.081 -20.167 1.00 44.23 O ATOM 432 OD2 ASP A 31 50.955 28.217 -19.238 1.00 12.51 O1- ATOM 0 H ASP A 31 48.918 26.812 -22.674 1.00 62.14 H new ATOM 0 HA ASP A 31 50.700 29.060 -23.382 1.00 43.34 H new ATOM 0 HB2 ASP A 31 50.875 29.769 -21.162 1.00 0.44 H new ATOM 0 HB3 ASP A 31 49.155 29.501 -21.365 1.00 0.44 H new ATOM 437 N GLY A 32 51.083 26.012 -22.350 1.00 1.23 N ATOM 438 CA GLY A 32 52.028 24.946 -22.122 1.00 64.22 C ATOM 439 C GLY A 32 51.685 24.127 -20.896 1.00 54.14 C ATOM 440 O GLY A 32 52.254 23.061 -20.680 1.00 43.15 O ATOM 0 H GLY A 32 50.108 25.716 -22.388 1.00 1.23 H new ATOM 0 HA2 GLY A 32 52.055 24.295 -22.995 1.00 64.22 H new ATOM 0 HA3 GLY A 32 53.027 25.367 -22.007 1.00 64.22 H new ATOM 444 N ALA A 33 50.745 24.618 -20.094 1.00 1.31 N ATOM 445 CA ALA A 33 50.347 23.919 -18.881 1.00 44.21 C ATOM 446 C ALA A 33 49.478 22.719 -19.211 1.00 14.20 C ATOM 447 O ALA A 33 48.264 22.842 -19.400 1.00 2.30 O ATOM 448 CB ALA A 33 49.625 24.853 -17.926 1.00 42.23 C ATOM 0 H ALA A 33 50.248 25.493 -20.262 1.00 1.31 H new ATOM 0 HA ALA A 33 51.252 23.563 -18.388 1.00 44.21 H new ATOM 0 HB1 ALA A 33 49.339 24.305 -17.028 1.00 42.23 H new ATOM 0 HB2 ALA A 33 50.285 25.676 -17.654 1.00 42.23 H new ATOM 0 HB3 ALA A 33 48.732 25.249 -18.410 1.00 42.23 H new ATOM 454 N GLU A 34 50.114 21.567 -19.315 1.00 63.03 N ATOM 455 CA GLU A 34 49.419 20.330 -19.608 1.00 51.32 C ATOM 456 C GLU A 34 49.044 19.635 -18.307 1.00 22.55 C ATOM 457 O GLU A 34 49.879 18.986 -17.676 1.00 43.25 O ATOM 458 CB GLU A 34 50.308 19.429 -20.471 1.00 4.31 C ATOM 459 CG GLU A 34 49.600 18.227 -21.064 1.00 43.11 C ATOM 460 CD GLU A 34 50.537 17.350 -21.868 1.00 11.42 C ATOM 461 OE1 GLU A 34 51.196 16.468 -21.270 1.00 70.41 O ATOM 462 OE2 GLU A 34 50.630 17.539 -23.094 1.00 0.35 O1- ATOM 0 H GLU A 34 51.122 21.464 -19.199 1.00 63.03 H new ATOM 0 HA GLU A 34 48.505 20.544 -20.162 1.00 51.32 H new ATOM 0 HB2 GLU A 34 50.727 20.024 -21.282 1.00 4.31 H new ATOM 0 HB3 GLU A 34 51.145 19.080 -19.866 1.00 4.31 H new ATOM 0 HG2 GLU A 34 49.153 17.639 -20.262 1.00 43.11 H new ATOM 0 HG3 GLU A 34 48.785 18.566 -21.703 1.00 43.11 H new ATOM 469 N VAL A 35 47.797 19.797 -17.897 1.00 72.24 N ATOM 470 CA VAL A 35 47.332 19.241 -16.634 1.00 1.04 C ATOM 471 C VAL A 35 46.501 17.992 -16.885 1.00 15.44 C ATOM 472 O VAL A 35 45.652 17.973 -17.780 1.00 34.34 O ATOM 473 CB VAL A 35 46.489 20.268 -15.844 1.00 73.02 C ATOM 474 CG1 VAL A 35 46.040 19.696 -14.501 1.00 43.24 C ATOM 475 CG2 VAL A 35 47.271 21.562 -15.649 1.00 72.21 C ATOM 0 H VAL A 35 47.087 20.309 -18.420 1.00 72.24 H new ATOM 0 HA VAL A 35 48.210 18.985 -16.041 1.00 1.04 H new ATOM 0 HB VAL A 35 45.594 20.491 -16.425 1.00 73.02 H new ATOM 0 HG11 VAL A 35 45.449 20.441 -13.968 1.00 43.24 H new ATOM 0 HG12 VAL A 35 45.435 18.805 -14.669 1.00 43.24 H new ATOM 0 HG13 VAL A 35 46.915 19.433 -13.906 1.00 43.24 H new ATOM 0 HG21 VAL A 35 46.663 22.274 -15.091 1.00 72.21 H new ATOM 0 HG22 VAL A 35 48.186 21.354 -15.095 1.00 72.21 H new ATOM 0 HG23 VAL A 35 47.524 21.984 -16.621 1.00 72.21 H new ATOM 485 N PHE A 36 46.767 16.942 -16.114 1.00 22.41 N ATOM 486 CA PHE A 36 46.067 15.681 -16.290 1.00 15.50 C ATOM 487 C PHE A 36 44.662 15.773 -15.717 1.00 3.00 C ATOM 488 O PHE A 36 44.460 15.779 -14.503 1.00 12.52 O ATOM 489 CB PHE A 36 46.854 14.503 -15.679 1.00 12.44 C ATOM 490 CG PHE A 36 47.154 14.614 -14.206 1.00 61.13 C ATOM 491 CD1 PHE A 36 46.439 13.864 -13.282 1.00 3.24 C ATOM 492 CD2 PHE A 36 48.159 15.451 -13.747 1.00 5.12 C ATOM 493 CE1 PHE A 36 46.718 13.951 -11.932 1.00 63.02 C ATOM 494 CE2 PHE A 36 48.440 15.543 -12.397 1.00 41.31 C ATOM 495 CZ PHE A 36 47.720 14.792 -11.489 1.00 34.21 C ATOM 0 H PHE A 36 47.460 16.942 -15.365 1.00 22.41 H new ATOM 0 HA PHE A 36 45.986 15.484 -17.359 1.00 15.50 H new ATOM 0 HB2 PHE A 36 46.290 13.586 -15.848 1.00 12.44 H new ATOM 0 HB3 PHE A 36 47.797 14.401 -16.217 1.00 12.44 H new ATOM 0 HD1 PHE A 36 45.655 13.204 -13.623 1.00 3.24 H new ATOM 0 HD2 PHE A 36 48.729 16.038 -14.452 1.00 5.12 H new ATOM 0 HE1 PHE A 36 46.154 13.362 -11.224 1.00 63.02 H new ATOM 0 HE2 PHE A 36 49.223 16.202 -12.052 1.00 41.31 H new ATOM 0 HZ PHE A 36 47.940 14.862 -10.434 1.00 34.21 H new ATOM 505 N PHE A 37 43.695 15.872 -16.604 1.00 25.01 N ATOM 506 CA PHE A 37 42.318 16.001 -16.201 1.00 62.04 C ATOM 507 C PHE A 37 41.580 14.728 -16.588 1.00 14.13 C ATOM 508 O PHE A 37 41.958 14.057 -17.547 1.00 31.45 O ATOM 509 CB PHE A 37 41.697 17.236 -16.857 1.00 14.23 C ATOM 510 CG PHE A 37 40.566 17.834 -16.066 1.00 31.32 C ATOM 511 CD1 PHE A 37 39.250 17.632 -16.438 1.00 22.33 C ATOM 512 CD2 PHE A 37 40.827 18.604 -14.942 1.00 54.35 C ATOM 513 CE1 PHE A 37 38.214 18.179 -15.707 1.00 21.44 C ATOM 514 CE2 PHE A 37 39.795 19.154 -14.206 1.00 51.45 C ATOM 515 CZ PHE A 37 38.487 18.942 -14.590 1.00 44.14 C ATOM 0 H PHE A 37 43.842 15.865 -17.613 1.00 25.01 H new ATOM 0 HA PHE A 37 42.245 16.134 -15.122 1.00 62.04 H new ATOM 0 HB2 PHE A 37 42.471 17.991 -16.996 1.00 14.23 H new ATOM 0 HB3 PHE A 37 41.333 16.966 -17.848 1.00 14.23 H new ATOM 0 HD1 PHE A 37 39.029 17.038 -17.313 1.00 22.33 H new ATOM 0 HD2 PHE A 37 41.849 18.776 -14.639 1.00 54.35 H new ATOM 0 HE1 PHE A 37 37.191 18.010 -16.009 1.00 21.44 H new ATOM 0 HE2 PHE A 37 40.012 19.749 -13.331 1.00 51.45 H new ATOM 0 HZ PHE A 37 37.678 19.372 -14.018 1.00 44.14 H new ATOM 525 N LYS A 38 40.543 14.376 -15.858 1.00 43.23 N ATOM 526 CA LYS A 38 39.940 13.068 -16.036 1.00 35.22 C ATOM 527 C LYS A 38 38.453 13.168 -16.307 1.00 51.03 C ATOM 528 O LYS A 38 37.835 14.224 -16.147 1.00 30.24 O ATOM 529 CB LYS A 38 40.144 12.199 -14.795 1.00 15.03 C ATOM 530 CG LYS A 38 41.549 12.225 -14.220 1.00 64.22 C ATOM 531 CD LYS A 38 41.624 11.395 -12.949 1.00 33.25 C ATOM 532 CE LYS A 38 42.990 11.479 -12.291 1.00 40.42 C ATOM 533 NZ LYS A 38 43.029 10.711 -11.019 1.00 40.01 N1+ ATOM 0 H LYS A 38 40.105 14.963 -15.148 1.00 43.23 H new ATOM 0 HA LYS A 38 40.432 12.614 -16.896 1.00 35.22 H new ATOM 0 HB2 LYS A 38 39.445 12.523 -14.024 1.00 15.03 H new ATOM 0 HB3 LYS A 38 39.888 11.169 -15.044 1.00 15.03 H new ATOM 0 HG2 LYS A 38 42.255 11.839 -14.955 1.00 64.22 H new ATOM 0 HG3 LYS A 38 41.841 13.253 -14.007 1.00 64.22 H new ATOM 0 HD2 LYS A 38 40.863 11.737 -12.248 1.00 33.25 H new ATOM 0 HD3 LYS A 38 41.398 10.355 -13.182 1.00 33.25 H new ATOM 0 HE2 LYS A 38 43.748 11.094 -12.973 1.00 40.42 H new ATOM 0 HE3 LYS A 38 43.237 12.522 -12.095 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 43.976 10.789 -10.595 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 42.322 11.095 -10.360 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 42.817 9.711 -11.211 1.00 40.01 H new ATOM 547 N ILE A 39 37.895 12.044 -16.708 1.00 41.44 N ATOM 548 CA ILE A 39 36.466 11.891 -16.829 1.00 3.01 C ATOM 549 C ILE A 39 36.031 10.836 -15.810 1.00 15.21 C ATOM 550 O ILE A 39 36.668 9.788 -15.707 1.00 30.24 O ATOM 551 CB ILE A 39 36.069 11.455 -18.257 1.00 12.45 C ATOM 552 CG1 ILE A 39 36.671 12.410 -19.295 1.00 11.22 C ATOM 553 CG2 ILE A 39 34.558 11.412 -18.399 1.00 43.02 C ATOM 554 CD1 ILE A 39 36.391 12.011 -20.729 1.00 42.02 C ATOM 0 H ILE A 39 38.425 11.210 -16.959 1.00 41.44 H new ATOM 0 HA ILE A 39 35.972 12.843 -16.637 1.00 3.01 H new ATOM 0 HB ILE A 39 36.464 10.454 -18.433 1.00 12.45 H new ATOM 0 HG12 ILE A 39 36.278 13.412 -19.123 1.00 11.22 H new ATOM 0 HG13 ILE A 39 37.750 12.460 -19.146 1.00 11.22 H new ATOM 0 HG21 ILE A 39 34.296 11.103 -19.411 1.00 43.02 H new ATOM 0 HG22 ILE A 39 34.145 10.700 -17.684 1.00 43.02 H new ATOM 0 HG23 ILE A 39 34.146 12.402 -18.204 1.00 43.02 H new ATOM 0 HD11 ILE A 39 36.849 12.734 -21.404 1.00 42.02 H new ATOM 0 HD12 ILE A 39 36.808 11.022 -20.920 1.00 42.02 H new ATOM 0 HD13 ILE A 39 35.314 11.989 -20.897 1.00 42.02 H new ATOM 566 N LYS A 40 34.966 11.088 -15.060 1.00 5.12 N ATOM 567 CA LYS A 40 34.627 10.203 -13.943 1.00 34.14 C ATOM 568 C LYS A 40 33.468 9.296 -14.326 1.00 65.10 C ATOM 569 O LYS A 40 33.589 8.073 -14.292 1.00 60.22 O ATOM 570 CB LYS A 40 34.292 11.016 -12.685 1.00 24.04 C ATOM 571 CG LYS A 40 34.616 10.286 -11.383 1.00 24.31 C ATOM 572 CD LYS A 40 34.404 11.184 -10.174 1.00 53.32 C ATOM 573 CE LYS A 40 35.141 10.667 -8.939 1.00 24.33 C ATOM 574 NZ LYS A 40 34.551 9.413 -8.385 1.00 41.13 N1+ ATOM 0 H LYS A 40 34.333 11.876 -15.196 1.00 5.12 H new ATOM 0 HA LYS A 40 35.493 9.581 -13.718 1.00 34.14 H new ATOM 0 HB2 LYS A 40 34.843 11.956 -12.712 1.00 24.04 H new ATOM 0 HB3 LYS A 40 33.232 11.268 -12.697 1.00 24.04 H new ATOM 0 HG2 LYS A 40 33.987 9.400 -11.295 1.00 24.31 H new ATOM 0 HG3 LYS A 40 35.650 9.942 -11.405 1.00 24.31 H new ATOM 0 HD2 LYS A 40 34.749 12.192 -10.406 1.00 53.32 H new ATOM 0 HD3 LYS A 40 33.338 11.254 -9.957 1.00 53.32 H new ATOM 0 HE2 LYS A 40 36.185 10.487 -9.195 1.00 24.33 H new ATOM 0 HE3 LYS A 40 35.130 11.438 -8.168 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 35.094 9.113 -7.550 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 33.563 9.586 -8.111 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 34.585 8.665 -9.107 1.00 41.13 H new ATOM 588 N ARG A 41 32.348 9.904 -14.676 1.00 61.11 N ATOM 589 CA ARG A 41 31.240 9.176 -15.271 1.00 55.41 C ATOM 590 C ARG A 41 31.185 9.522 -16.750 1.00 11.40 C ATOM 591 O ARG A 41 32.021 10.288 -17.218 1.00 73.11 O ATOM 592 CB ARG A 41 29.915 9.488 -14.550 1.00 22.45 C ATOM 593 CG ARG A 41 29.579 10.969 -14.405 1.00 52.54 C ATOM 594 CD ARG A 41 28.938 11.545 -15.658 1.00 73.40 C ATOM 595 NE ARG A 41 28.323 12.846 -15.405 1.00 54.01 N ATOM 596 CZ ARG A 41 27.669 13.554 -16.324 1.00 61.02 C ATOM 597 NH1 ARG A 41 27.590 13.116 -17.574 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 27.094 14.701 -15.991 1.00 0.21 N ATOM 0 H ARG A 41 32.181 10.903 -14.558 1.00 61.11 H new ATOM 0 HA ARG A 41 31.394 8.103 -15.161 1.00 55.41 H new ATOM 0 HB2 ARG A 41 29.104 9.001 -15.091 1.00 22.45 H new ATOM 0 HB3 ARG A 41 29.949 9.042 -13.556 1.00 22.45 H new ATOM 0 HG2 ARG A 41 28.904 11.104 -13.560 1.00 52.54 H new ATOM 0 HG3 ARG A 41 30.489 11.524 -14.178 1.00 52.54 H new ATOM 0 HD2 ARG A 41 29.692 11.645 -16.439 1.00 73.40 H new ATOM 0 HD3 ARG A 41 28.183 10.853 -16.031 1.00 73.40 H new ATOM 0 HE ARG A 41 28.399 13.236 -14.466 1.00 54.01 H new ATOM 0 HH11 ARG A 41 28.031 12.234 -17.834 1.00 20.44 H new ATOM 0 HH12 ARG A 41 27.088 13.661 -18.275 1.00 20.44 H new ATOM 0 HH21 ARG A 41 27.153 15.041 -15.031 1.00 0.21 H new ATOM 0 HH22 ARG A 41 26.593 15.244 -16.695 1.00 0.21 H new ATOM 612 N LYS A 42 30.225 8.976 -17.481 1.00 54.02 N ATOM 613 CA LYS A 42 30.155 9.202 -18.921 1.00 62.15 C ATOM 614 C LYS A 42 29.979 10.690 -19.219 1.00 3.33 C ATOM 615 O LYS A 42 28.885 11.235 -19.074 1.00 72.44 O ATOM 616 CB LYS A 42 29.004 8.411 -19.559 1.00 51.35 C ATOM 617 CG LYS A 42 29.160 6.892 -19.514 1.00 53.14 C ATOM 618 CD LYS A 42 28.958 6.330 -18.114 1.00 3.24 C ATOM 619 CE LYS A 42 28.907 4.812 -18.122 1.00 73.02 C ATOM 620 NZ LYS A 42 27.718 4.297 -18.857 1.00 32.32 N1+ ATOM 0 H LYS A 42 29.488 8.378 -17.107 1.00 54.02 H new ATOM 0 HA LYS A 42 31.093 8.853 -19.353 1.00 62.15 H new ATOM 0 HB2 LYS A 42 28.075 8.681 -19.056 1.00 51.35 H new ATOM 0 HB3 LYS A 42 28.904 8.720 -20.599 1.00 51.35 H new ATOM 0 HG2 LYS A 42 28.440 6.435 -20.193 1.00 53.14 H new ATOM 0 HG3 LYS A 42 30.153 6.621 -19.872 1.00 53.14 H new ATOM 0 HD2 LYS A 42 29.769 6.664 -17.467 1.00 3.24 H new ATOM 0 HD3 LYS A 42 28.032 6.723 -17.694 1.00 3.24 H new ATOM 0 HE2 LYS A 42 29.815 4.421 -18.582 1.00 73.02 H new ATOM 0 HE3 LYS A 42 28.886 4.445 -17.096 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 27.547 3.306 -18.591 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 26.885 4.869 -18.613 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 27.891 4.355 -19.881 1.00 32.32 H new ATOM 634 N THR A 43 31.064 11.348 -19.603 1.00 11.20 N ATOM 635 CA THR A 43 31.014 12.761 -19.923 1.00 30.45 C ATOM 636 C THR A 43 31.759 13.041 -21.223 1.00 71.22 C ATOM 637 O THR A 43 32.868 12.547 -21.438 1.00 12.31 O ATOM 638 CB THR A 43 31.609 13.630 -18.794 1.00 43.34 C ATOM 639 OG1 THR A 43 31.539 12.929 -17.545 1.00 31.45 O ATOM 640 CG2 THR A 43 30.840 14.937 -18.674 1.00 44.42 C ATOM 0 H THR A 43 31.987 10.924 -19.699 1.00 11.20 H new ATOM 0 HA THR A 43 29.963 13.025 -20.038 1.00 30.45 H new ATOM 0 HB THR A 43 32.650 13.843 -19.036 1.00 43.34 H new ATOM 0 HG1 THR A 43 31.906 12.027 -17.655 1.00 31.45 H new ATOM 0 HG21 THR A 43 31.270 15.540 -17.874 1.00 44.42 H new ATOM 0 HG22 THR A 43 30.903 15.484 -19.615 1.00 44.42 H new ATOM 0 HG23 THR A 43 29.795 14.725 -18.447 1.00 44.42 H new ATOM 648 N LYS A 44 31.127 13.812 -22.093 1.00 62.32 N ATOM 649 CA LYS A 44 31.712 14.193 -23.368 1.00 25.23 C ATOM 650 C LYS A 44 32.827 15.226 -23.176 1.00 4.31 C ATOM 651 O LYS A 44 32.965 15.815 -22.100 1.00 45.53 O ATOM 652 CB LYS A 44 30.610 14.717 -24.296 1.00 50.13 C ATOM 653 CG LYS A 44 29.656 15.693 -23.619 1.00 21.31 C ATOM 654 CD LYS A 44 28.306 15.767 -24.328 1.00 45.42 C ATOM 655 CE LYS A 44 28.330 16.661 -25.563 1.00 25.02 C ATOM 656 NZ LYS A 44 29.196 16.128 -26.647 1.00 21.22 N1+ ATOM 0 H LYS A 44 30.193 14.191 -21.935 1.00 62.32 H new ATOM 0 HA LYS A 44 32.169 13.317 -23.829 1.00 25.23 H new ATOM 0 HB2 LYS A 44 31.071 15.208 -25.153 1.00 50.13 H new ATOM 0 HB3 LYS A 44 30.039 13.872 -24.682 1.00 50.13 H new ATOM 0 HG2 LYS A 44 29.504 15.390 -22.583 1.00 21.31 H new ATOM 0 HG3 LYS A 44 30.108 16.685 -23.598 1.00 21.31 H new ATOM 0 HD2 LYS A 44 27.999 14.762 -24.619 1.00 45.42 H new ATOM 0 HD3 LYS A 44 27.556 16.140 -23.631 1.00 45.42 H new ATOM 0 HE2 LYS A 44 27.314 16.777 -25.941 1.00 25.02 H new ATOM 0 HE3 LYS A 44 28.680 17.654 -25.280 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 29.032 16.669 -27.520 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 30.194 16.215 -26.368 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 28.969 15.127 -26.812 1.00 21.22 H new ATOM 670 N LEU A 45 33.605 15.452 -24.231 1.00 35.14 N ATOM 671 CA LEU A 45 34.832 16.248 -24.143 1.00 14.24 C ATOM 672 C LEU A 45 34.553 17.718 -23.851 1.00 21.03 C ATOM 673 O LEU A 45 35.413 18.423 -23.318 1.00 72.43 O ATOM 674 CB LEU A 45 35.631 16.133 -25.443 1.00 45.14 C ATOM 675 CG LEU A 45 36.120 14.726 -25.786 1.00 62.15 C ATOM 676 CD1 LEU A 45 36.797 14.714 -27.148 1.00 1.23 C ATOM 677 CD2 LEU A 45 37.070 14.218 -24.715 1.00 32.21 C ATOM 0 H LEU A 45 33.408 15.093 -25.165 1.00 35.14 H new ATOM 0 HA LEU A 45 35.410 15.847 -23.310 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.012 16.495 -26.264 1.00 45.14 H new ATOM 0 HB3 LEU A 45 36.495 16.795 -25.379 1.00 45.14 H new ATOM 0 HG LEU A 45 35.257 14.061 -25.825 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.139 13.704 -27.376 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.088 15.037 -27.910 1.00 1.23 H new ATOM 0 HD13 LEU A 45 37.651 15.392 -27.136 1.00 1.23 H new ATOM 0 HD21 LEU A 45 37.409 13.215 -24.975 1.00 32.21 H new ATOM 0 HD22 LEU A 45 37.930 14.884 -24.645 1.00 32.21 H new ATOM 0 HD23 LEU A 45 36.554 14.189 -23.755 1.00 32.21 H new ATOM 689 N GLU A 46 33.357 18.175 -24.192 1.00 23.02 N ATOM 690 CA GLU A 46 32.990 19.572 -24.017 1.00 4.12 C ATOM 691 C GLU A 46 33.089 20.013 -22.554 1.00 12.14 C ATOM 692 O GLU A 46 33.285 21.193 -22.272 1.00 22.14 O ATOM 693 CB GLU A 46 31.581 19.846 -24.556 1.00 14.42 C ATOM 694 CG GLU A 46 31.456 19.724 -26.071 1.00 64.54 C ATOM 695 CD GLU A 46 31.167 18.311 -26.540 1.00 23.41 C ATOM 696 OE1 GLU A 46 31.476 17.347 -25.803 1.00 71.11 O ATOM 697 OE2 GLU A 46 30.611 18.147 -27.649 1.00 72.42 O1- ATOM 0 H GLU A 46 32.621 17.595 -24.594 1.00 23.02 H new ATOM 0 HA GLU A 46 33.706 20.159 -24.592 1.00 4.12 H new ATOM 0 HB2 GLU A 46 30.884 19.151 -24.088 1.00 14.42 H new ATOM 0 HB3 GLU A 46 31.279 20.850 -24.258 1.00 14.42 H new ATOM 0 HG2 GLU A 46 30.660 20.384 -26.417 1.00 64.54 H new ATOM 0 HG3 GLU A 46 32.380 20.070 -26.533 1.00 64.54 H new ATOM 704 N LYS A 47 32.980 19.077 -21.621 1.00 62.41 N ATOM 705 CA LYS A 47 33.091 19.430 -20.213 1.00 33.34 C ATOM 706 C LYS A 47 34.554 19.665 -19.849 1.00 42.22 C ATOM 707 O LYS A 47 34.874 20.572 -19.084 1.00 54.00 O ATOM 708 CB LYS A 47 32.456 18.351 -19.322 1.00 45.33 C ATOM 709 CG LYS A 47 33.408 17.277 -18.815 1.00 32.31 C ATOM 710 CD LYS A 47 34.019 17.648 -17.472 1.00 42.23 C ATOM 711 CE LYS A 47 34.695 16.454 -16.820 1.00 42.04 C ATOM 712 NZ LYS A 47 35.199 16.778 -15.461 1.00 24.31 N1+ ATOM 0 H LYS A 47 32.818 18.087 -21.808 1.00 62.41 H new ATOM 0 HA LYS A 47 32.542 20.355 -20.039 1.00 33.34 H new ATOM 0 HB2 LYS A 47 31.995 18.839 -18.463 1.00 45.33 H new ATOM 0 HB3 LYS A 47 31.655 17.868 -19.881 1.00 45.33 H new ATOM 0 HG2 LYS A 47 32.873 16.332 -18.722 1.00 32.31 H new ATOM 0 HG3 LYS A 47 34.203 17.122 -19.545 1.00 32.31 H new ATOM 0 HD2 LYS A 47 34.746 18.448 -17.610 1.00 42.23 H new ATOM 0 HD3 LYS A 47 33.242 18.033 -16.812 1.00 42.23 H new ATOM 0 HE2 LYS A 47 33.989 15.626 -16.758 1.00 42.04 H new ATOM 0 HE3 LYS A 47 35.523 16.120 -17.445 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 36.223 16.603 -15.420 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 35.010 17.779 -15.250 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 34.717 16.180 -14.760 1.00 24.31 H new ATOM 726 N LEU A 48 35.439 18.857 -20.430 1.00 14.11 N ATOM 727 CA LEU A 48 36.873 18.956 -20.177 1.00 44.42 C ATOM 728 C LEU A 48 37.390 20.311 -20.637 1.00 0.14 C ATOM 729 O LEU A 48 38.225 20.929 -19.982 1.00 70.35 O ATOM 730 CB LEU A 48 37.609 17.836 -20.915 1.00 44.10 C ATOM 731 CG LEU A 48 37.286 16.416 -20.443 1.00 40.42 C ATOM 732 CD1 LEU A 48 37.772 15.400 -21.458 1.00 3.42 C ATOM 733 CD2 LEU A 48 37.922 16.148 -19.092 1.00 0.32 C ATOM 0 H LEU A 48 35.183 18.119 -21.086 1.00 14.11 H new ATOM 0 HA LEU A 48 37.054 18.855 -19.107 1.00 44.42 H new ATOM 0 HB2 LEU A 48 37.376 17.909 -21.977 1.00 44.10 H new ATOM 0 HB3 LEU A 48 38.682 18.000 -20.812 1.00 44.10 H new ATOM 0 HG LEU A 48 36.204 16.324 -20.344 1.00 40.42 H new ATOM 0 HD11 LEU A 48 37.535 14.395 -21.109 1.00 3.42 H new ATOM 0 HD12 LEU A 48 37.280 15.577 -22.414 1.00 3.42 H new ATOM 0 HD13 LEU A 48 38.851 15.497 -21.582 1.00 3.42 H new ATOM 0 HD21 LEU A 48 37.682 15.134 -18.772 1.00 0.32 H new ATOM 0 HD22 LEU A 48 39.004 16.257 -19.171 1.00 0.32 H new ATOM 0 HD23 LEU A 48 37.538 16.860 -18.361 1.00 0.32 H new ATOM 745 N MET A 49 36.858 20.776 -21.758 1.00 43.23 N ATOM 746 CA MET A 49 37.284 22.040 -22.335 1.00 60.12 C ATOM 747 C MET A 49 36.628 23.228 -21.629 1.00 53.42 C ATOM 748 O MET A 49 37.269 24.256 -21.418 1.00 5.35 O ATOM 749 CB MET A 49 36.999 22.066 -23.844 1.00 51.40 C ATOM 750 CG MET A 49 35.536 21.877 -24.206 1.00 63.31 C ATOM 751 SD MET A 49 35.286 21.486 -25.952 1.00 50.54 S ATOM 752 CE MET A 49 35.889 22.976 -26.734 1.00 11.13 C ATOM 0 H MET A 49 36.130 20.295 -22.286 1.00 43.23 H new ATOM 0 HA MET A 49 38.360 22.130 -22.188 1.00 60.12 H new ATOM 0 HB2 MET A 49 37.342 23.017 -24.251 1.00 51.40 H new ATOM 0 HB3 MET A 49 37.585 21.283 -24.326 1.00 51.40 H new ATOM 0 HG2 MET A 49 35.117 21.076 -23.596 1.00 63.31 H new ATOM 0 HG3 MET A 49 34.986 22.786 -23.960 1.00 63.31 H new ATOM 0 HE1 MET A 49 35.074 23.460 -27.273 1.00 11.13 H new ATOM 0 HE2 MET A 49 36.275 23.655 -25.974 1.00 11.13 H new ATOM 0 HE3 MET A 49 36.686 22.723 -27.433 1.00 11.13 H new ATOM 762 N GLU A 50 35.364 23.082 -21.234 1.00 62.40 N ATOM 763 CA GLU A 50 34.662 24.163 -20.546 1.00 61.02 C ATOM 764 C GLU A 50 35.241 24.419 -19.160 1.00 64.22 C ATOM 765 O GLU A 50 35.191 25.549 -18.669 1.00 60.03 O ATOM 766 CB GLU A 50 33.166 23.892 -20.439 1.00 62.50 C ATOM 767 CG GLU A 50 32.388 24.289 -21.682 1.00 60.44 C ATOM 768 CD GLU A 50 32.499 25.773 -21.978 1.00 51.34 C ATOM 769 OE1 GLU A 50 32.090 26.588 -21.121 1.00 24.22 O ATOM 770 OE2 GLU A 50 32.996 26.132 -23.064 1.00 23.12 O1- ATOM 0 H GLU A 50 34.811 22.237 -21.376 1.00 62.40 H new ATOM 0 HA GLU A 50 34.806 25.057 -21.153 1.00 61.02 H new ATOM 0 HB2 GLU A 50 33.010 22.831 -20.246 1.00 62.50 H new ATOM 0 HB3 GLU A 50 32.767 24.434 -19.582 1.00 62.50 H new ATOM 0 HG2 GLU A 50 32.757 23.721 -22.536 1.00 60.44 H new ATOM 0 HG3 GLU A 50 31.339 24.024 -21.552 1.00 60.44 H new ATOM 777 N VAL A 51 35.772 23.378 -18.518 1.00 23.21 N ATOM 778 CA VAL A 51 36.489 23.571 -17.259 1.00 24.13 C ATOM 779 C VAL A 51 37.609 24.599 -17.438 1.00 13.12 C ATOM 780 O VAL A 51 37.835 25.448 -16.574 1.00 53.21 O ATOM 781 CB VAL A 51 37.076 22.248 -16.716 1.00 43.11 C ATOM 782 CG1 VAL A 51 37.963 22.501 -15.505 1.00 70.21 C ATOM 783 CG2 VAL A 51 35.961 21.283 -16.353 1.00 72.35 C ATOM 0 H VAL A 51 35.721 22.412 -18.841 1.00 23.21 H new ATOM 0 HA VAL A 51 35.767 23.939 -16.530 1.00 24.13 H new ATOM 0 HB VAL A 51 37.687 21.803 -17.502 1.00 43.11 H new ATOM 0 HG11 VAL A 51 38.363 21.554 -15.143 1.00 70.21 H new ATOM 0 HG12 VAL A 51 38.786 23.158 -15.787 1.00 70.21 H new ATOM 0 HG13 VAL A 51 37.376 22.972 -14.716 1.00 70.21 H new ATOM 0 HG21 VAL A 51 36.391 20.357 -15.972 1.00 72.35 H new ATOM 0 HG22 VAL A 51 35.328 21.730 -15.587 1.00 72.35 H new ATOM 0 HG23 VAL A 51 35.363 21.068 -17.239 1.00 72.35 H new ATOM 793 N TYR A 52 38.286 24.542 -18.579 1.00 25.31 N ATOM 794 CA TYR A 52 39.370 25.468 -18.863 1.00 60.25 C ATOM 795 C TYR A 52 38.841 26.850 -19.243 1.00 22.34 C ATOM 796 O TYR A 52 39.462 27.860 -18.899 1.00 70.03 O ATOM 797 CB TYR A 52 40.288 24.911 -19.949 1.00 50.21 C ATOM 798 CG TYR A 52 41.236 23.848 -19.434 1.00 54.44 C ATOM 799 CD1 TYR A 52 42.531 24.179 -19.052 1.00 10.40 C ATOM 800 CD2 TYR A 52 40.837 22.524 -19.319 1.00 35.44 C ATOM 801 CE1 TYR A 52 43.399 23.219 -18.567 1.00 44.31 C ATOM 802 CE2 TYR A 52 41.700 21.557 -18.836 1.00 2.44 C ATOM 803 CZ TYR A 52 42.980 21.912 -18.463 1.00 61.10 C ATOM 804 OH TYR A 52 43.840 20.956 -17.976 1.00 70.14 O ATOM 0 H TYR A 52 38.102 23.865 -19.320 1.00 25.31 H new ATOM 0 HA TYR A 52 39.956 25.584 -17.951 1.00 60.25 H new ATOM 0 HB2 TYR A 52 39.680 24.491 -20.750 1.00 50.21 H new ATOM 0 HB3 TYR A 52 40.866 25.727 -20.382 1.00 50.21 H new ATOM 0 HD1 TYR A 52 42.864 25.203 -19.136 1.00 10.40 H new ATOM 0 HD2 TYR A 52 39.836 22.244 -19.612 1.00 35.44 H new ATOM 0 HE1 TYR A 52 44.401 23.493 -18.271 1.00 44.31 H new ATOM 0 HE2 TYR A 52 41.374 20.531 -18.751 1.00 2.44 H new ATOM 0 HH TYR A 52 44.544 20.783 -18.635 1.00 70.14 H new ATOM 814 N CYS A 53 37.704 26.895 -19.944 1.00 62.33 N ATOM 815 CA CYS A 53 37.041 28.158 -20.247 1.00 41.30 C ATOM 816 C CYS A 53 36.879 29.010 -18.986 1.00 4.33 C ATOM 817 O CYS A 53 37.232 30.190 -18.970 1.00 34.34 O ATOM 818 CB CYS A 53 35.672 27.899 -20.880 1.00 62.10 C ATOM 819 SG CYS A 53 35.734 26.902 -22.385 1.00 24.41 S ATOM 0 H CYS A 53 37.228 26.071 -20.310 1.00 62.33 H new ATOM 0 HA CYS A 53 37.665 28.705 -20.954 1.00 41.30 H new ATOM 0 HB2 CYS A 53 35.035 27.398 -20.151 1.00 62.10 H new ATOM 0 HB3 CYS A 53 35.203 28.856 -21.109 1.00 62.10 H new ATOM 0 HG CYS A 53 34.526 26.700 -22.822 1.00 24.41 H new ATOM 825 N ASN A 54 36.383 28.392 -17.918 1.00 31.24 N ATOM 826 CA ASN A 54 36.121 29.111 -16.673 1.00 23.21 C ATOM 827 C ASN A 54 37.419 29.422 -15.928 1.00 50.15 C ATOM 828 O ASN A 54 37.533 30.451 -15.268 1.00 44.41 O ATOM 829 CB ASN A 54 35.174 28.304 -15.779 1.00 60.32 C ATOM 830 CG ASN A 54 34.710 29.087 -14.562 1.00 62.25 C ATOM 831 OD1 ASN A 54 33.743 29.845 -14.635 1.00 53.02 O ATOM 832 ND2 ASN A 54 35.380 28.899 -13.433 1.00 23.34 N ATOM 0 H ASN A 54 36.155 27.398 -17.888 1.00 31.24 H new ATOM 0 HA ASN A 54 35.644 30.058 -16.927 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.305 27.996 -16.361 1.00 60.32 H new ATOM 0 HB3 ASN A 54 35.677 27.394 -15.451 1.00 60.32 H new ATOM 0 HD21 ASN A 54 35.099 29.391 -12.585 1.00 23.34 H new ATOM 0 HD22 ASN A 54 36.177 28.262 -13.413 1.00 23.34 H new ATOM 839 N ARG A 55 38.401 28.534 -16.049 1.00 12.20 N ATOM 840 CA ARG A 55 39.682 28.707 -15.367 1.00 42.42 C ATOM 841 C ARG A 55 40.454 29.900 -15.939 1.00 32.14 C ATOM 842 O ARG A 55 41.118 30.634 -15.208 1.00 34.11 O ATOM 843 CB ARG A 55 40.509 27.412 -15.471 1.00 23.13 C ATOM 844 CG ARG A 55 41.886 27.474 -14.814 1.00 12.33 C ATOM 845 CD ARG A 55 42.951 27.959 -15.784 1.00 14.04 C ATOM 846 NE ARG A 55 44.275 28.050 -15.167 1.00 32.42 N ATOM 847 CZ ARG A 55 45.405 28.165 -15.863 1.00 13.03 C ATOM 848 NH1 ARG A 55 45.366 28.142 -17.190 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 46.572 28.285 -15.239 1.00 31.52 N ATOM 0 H ARG A 55 38.335 27.687 -16.613 1.00 12.20 H new ATOM 0 HA ARG A 55 39.491 28.916 -14.314 1.00 42.42 H new ATOM 0 HB2 ARG A 55 39.942 26.599 -15.017 1.00 23.13 H new ATOM 0 HB3 ARG A 55 40.636 27.163 -16.525 1.00 23.13 H new ATOM 0 HG2 ARG A 55 41.848 28.140 -13.952 1.00 12.33 H new ATOM 0 HG3 ARG A 55 42.156 26.486 -14.441 1.00 12.33 H new ATOM 0 HD2 ARG A 55 42.997 27.281 -16.636 1.00 14.04 H new ATOM 0 HD3 ARG A 55 42.666 28.938 -16.171 1.00 14.04 H new ATOM 0 HE ARG A 55 44.336 28.024 -14.149 1.00 32.42 H new ATOM 0 HH11 ARG A 55 44.473 28.037 -17.672 1.00 74.42 H new ATOM 0 HH12 ARG A 55 46.229 28.230 -17.727 1.00 74.42 H new ATOM 0 HH21 ARG A 55 46.607 28.290 -14.220 1.00 31.52 H new ATOM 0 HH22 ARG A 55 47.433 28.373 -15.779 1.00 31.52 H new ATOM 863 N LEU A 56 40.363 30.090 -17.248 1.00 75.42 N ATOM 864 CA LEU A 56 41.068 31.182 -17.910 1.00 60.21 C ATOM 865 C LEU A 56 40.247 32.467 -17.884 1.00 22.05 C ATOM 866 O LEU A 56 40.790 33.564 -18.015 1.00 73.52 O ATOM 867 CB LEU A 56 41.380 30.812 -19.362 1.00 50.30 C ATOM 868 CG LEU A 56 42.455 29.740 -19.550 1.00 25.35 C ATOM 869 CD1 LEU A 56 42.534 29.322 -21.011 1.00 0.31 C ATOM 870 CD2 LEU A 56 43.803 30.261 -19.076 1.00 31.13 C ATOM 0 H LEU A 56 39.809 29.504 -17.873 1.00 75.42 H new ATOM 0 HA LEU A 56 41.998 31.350 -17.367 1.00 60.21 H new ATOM 0 HB2 LEU A 56 40.461 30.468 -19.837 1.00 50.30 H new ATOM 0 HB3 LEU A 56 41.693 31.713 -19.889 1.00 50.30 H new ATOM 0 HG LEU A 56 42.188 28.868 -18.954 1.00 25.35 H new ATOM 0 HD11 LEU A 56 43.303 28.559 -21.130 1.00 0.31 H new ATOM 0 HD12 LEU A 56 41.571 28.920 -21.327 1.00 0.31 H new ATOM 0 HD13 LEU A 56 42.784 30.188 -21.624 1.00 0.31 H new ATOM 0 HD21 LEU A 56 44.560 29.490 -19.215 1.00 31.13 H new ATOM 0 HD22 LEU A 56 44.075 31.145 -19.653 1.00 31.13 H new ATOM 0 HD23 LEU A 56 43.741 30.523 -18.020 1.00 31.13 H new ATOM 882 N GLY A 57 38.941 32.327 -17.708 1.00 1.41 N ATOM 883 CA GLY A 57 38.051 33.462 -17.843 1.00 43.53 C ATOM 884 C GLY A 57 37.803 33.770 -19.303 1.00 60.04 C ATOM 885 O GLY A 57 37.275 34.824 -19.658 1.00 13.12 O ATOM 0 H GLY A 57 38.481 31.447 -17.474 1.00 1.41 H new ATOM 0 HA2 GLY A 57 37.105 33.251 -17.344 1.00 43.53 H new ATOM 0 HA3 GLY A 57 38.485 34.332 -17.350 1.00 43.53 H new ATOM 889 N GLN A 58 38.196 32.826 -20.144 1.00 5.23 N ATOM 890 CA GLN A 58 38.076 32.951 -21.583 1.00 75.33 C ATOM 891 C GLN A 58 37.553 31.637 -22.139 1.00 45.23 C ATOM 892 O GLN A 58 38.084 30.574 -21.823 1.00 23.22 O ATOM 893 CB GLN A 58 39.443 33.281 -22.191 1.00 11.42 C ATOM 894 CG GLN A 58 39.408 33.584 -23.679 1.00 44.44 C ATOM 895 CD GLN A 58 40.793 33.801 -24.259 1.00 61.21 C ATOM 896 OE1 GLN A 58 41.432 32.863 -24.731 1.00 43.03 O ATOM 897 NE2 GLN A 58 41.273 35.036 -24.215 1.00 21.11 N ATOM 0 H GLN A 58 38.611 31.945 -19.841 1.00 5.23 H new ATOM 0 HA GLN A 58 37.386 33.756 -21.835 1.00 75.33 H new ATOM 0 HB2 GLN A 58 39.863 34.140 -21.667 1.00 11.42 H new ATOM 0 HB3 GLN A 58 40.117 32.442 -22.019 1.00 11.42 H new ATOM 0 HG2 GLN A 58 38.923 32.761 -24.203 1.00 44.44 H new ATOM 0 HG3 GLN A 58 38.802 34.473 -23.852 1.00 44.44 H new ATOM 0 HE21 GLN A 58 40.711 35.788 -23.815 1.00 21.11 H new ATOM 0 HE22 GLN A 58 42.204 35.235 -24.581 1.00 21.11 H new ATOM 906 N SER A 59 36.522 31.708 -22.959 1.00 14.32 N ATOM 907 CA SER A 59 35.856 30.509 -23.429 1.00 21.14 C ATOM 908 C SER A 59 36.593 29.862 -24.599 1.00 30.15 C ATOM 909 O SER A 59 37.532 30.433 -25.165 1.00 21.13 O ATOM 910 CB SER A 59 34.412 30.830 -23.805 1.00 31.20 C ATOM 911 OG SER A 59 34.341 32.035 -24.552 1.00 0.21 O ATOM 0 H SER A 59 36.129 32.580 -23.312 1.00 14.32 H new ATOM 0 HA SER A 59 35.861 29.784 -22.615 1.00 21.14 H new ATOM 0 HB2 SER A 59 33.993 30.010 -24.388 1.00 31.20 H new ATOM 0 HB3 SER A 59 33.808 30.921 -22.902 1.00 31.20 H new ATOM 0 HG SER A 59 33.626 31.965 -25.219 1.00 0.21 H new ATOM 917 N MET A 60 36.132 28.672 -24.960 1.00 4.23 N ATOM 918 CA MET A 60 36.774 27.838 -25.973 1.00 54.32 C ATOM 919 C MET A 60 36.778 28.482 -27.360 1.00 62.24 C ATOM 920 O MET A 60 37.514 28.051 -28.238 1.00 52.30 O ATOM 921 CB MET A 60 36.103 26.457 -26.009 1.00 53.34 C ATOM 922 CG MET A 60 34.600 26.486 -26.278 1.00 74.42 C ATOM 923 SD MET A 60 34.184 26.791 -28.008 1.00 3.20 S ATOM 924 CE MET A 60 32.393 26.828 -27.924 1.00 21.54 C ATOM 0 H MET A 60 35.295 28.253 -24.556 1.00 4.23 H new ATOM 0 HA MET A 60 37.821 27.727 -25.689 1.00 54.32 H new ATOM 0 HB2 MET A 60 36.585 25.854 -26.779 1.00 53.34 H new ATOM 0 HB3 MET A 60 36.278 25.958 -25.056 1.00 53.34 H new ATOM 0 HG2 MET A 60 34.165 25.535 -25.970 1.00 74.42 H new ATOM 0 HG3 MET A 60 34.143 27.260 -25.661 1.00 74.42 H new ATOM 0 HE1 MET A 60 31.986 27.008 -28.919 1.00 21.54 H new ATOM 0 HE2 MET A 60 32.026 25.872 -27.550 1.00 21.54 H new ATOM 0 HE3 MET A 60 32.077 27.626 -27.252 1.00 21.54 H new ATOM 934 N GLU A 61 35.969 29.513 -27.553 1.00 23.42 N ATOM 935 CA GLU A 61 35.864 30.180 -28.850 1.00 74.42 C ATOM 936 C GLU A 61 37.185 30.839 -29.265 1.00 75.51 C ATOM 937 O GLU A 61 37.381 31.177 -30.429 1.00 20.42 O ATOM 938 CB GLU A 61 34.749 31.222 -28.799 1.00 42.44 C ATOM 939 CG GLU A 61 34.944 32.261 -27.707 1.00 61.05 C ATOM 940 CD GLU A 61 33.718 33.120 -27.503 1.00 11.12 C ATOM 941 OE1 GLU A 61 33.656 34.223 -28.085 1.00 22.14 O ATOM 942 OE2 GLU A 61 32.809 32.690 -26.760 1.00 34.12 O1- ATOM 0 H GLU A 61 35.372 29.910 -26.827 1.00 23.42 H new ATOM 0 HA GLU A 61 35.630 29.424 -29.599 1.00 74.42 H new ATOM 0 HB2 GLU A 61 34.689 31.726 -29.763 1.00 42.44 H new ATOM 0 HB3 GLU A 61 33.796 30.716 -28.643 1.00 42.44 H new ATOM 0 HG2 GLU A 61 35.192 31.759 -26.772 1.00 61.05 H new ATOM 0 HG3 GLU A 61 35.792 32.897 -27.962 1.00 61.05 H new ATOM 949 N ALA A 62 38.096 30.993 -28.310 1.00 52.12 N ATOM 950 CA ALA A 62 39.371 31.634 -28.553 1.00 65.21 C ATOM 951 C ALA A 62 40.494 30.608 -28.495 1.00 34.10 C ATOM 952 O ALA A 62 41.673 30.955 -28.510 1.00 64.00 O ATOM 953 CB ALA A 62 39.604 32.748 -27.544 1.00 61.24 C ATOM 0 H ALA A 62 37.966 30.676 -27.349 1.00 52.12 H new ATOM 0 HA ALA A 62 39.359 32.075 -29.550 1.00 65.21 H new ATOM 0 HB1 ALA A 62 40.567 33.221 -27.740 1.00 61.24 H new ATOM 0 HB2 ALA A 62 38.811 33.490 -27.632 1.00 61.24 H new ATOM 0 HB3 ALA A 62 39.602 32.333 -26.536 1.00 61.24 H new ATOM 959 N VAL A 63 40.116 29.339 -28.434 1.00 73.13 N ATOM 960 CA VAL A 63 41.077 28.244 -28.418 1.00 24.42 C ATOM 961 C VAL A 63 40.575 27.080 -29.268 1.00 55.34 C ATOM 962 O VAL A 63 39.458 27.106 -29.786 1.00 73.14 O ATOM 963 CB VAL A 63 41.382 27.733 -26.986 1.00 61.35 C ATOM 964 CG1 VAL A 63 42.141 28.775 -26.180 1.00 71.21 C ATOM 965 CG2 VAL A 63 40.104 27.337 -26.267 1.00 55.25 C ATOM 0 H VAL A 63 39.142 29.040 -28.394 1.00 73.13 H new ATOM 0 HA VAL A 63 42.003 28.642 -28.834 1.00 24.42 H new ATOM 0 HB VAL A 63 42.013 26.849 -27.080 1.00 61.35 H new ATOM 0 HG11 VAL A 63 42.340 28.388 -25.181 1.00 71.21 H new ATOM 0 HG12 VAL A 63 43.085 29.002 -26.676 1.00 71.21 H new ATOM 0 HG13 VAL A 63 41.543 29.683 -26.105 1.00 71.21 H new ATOM 0 HG21 VAL A 63 40.345 26.982 -25.265 1.00 55.25 H new ATOM 0 HG22 VAL A 63 39.443 28.201 -26.197 1.00 55.25 H new ATOM 0 HG23 VAL A 63 39.605 26.543 -26.823 1.00 55.25 H new ATOM 975 N ARG A 64 41.422 26.091 -29.461 1.00 62.12 N ATOM 976 CA ARG A 64 41.033 24.887 -30.170 1.00 22.32 C ATOM 977 C ARG A 64 41.714 23.682 -29.541 1.00 10.41 C ATOM 978 O ARG A 64 42.920 23.699 -29.319 1.00 51.14 O ATOM 979 CB ARG A 64 41.407 25.001 -31.646 1.00 54.44 C ATOM 980 CG ARG A 64 40.573 24.123 -32.564 1.00 13.01 C ATOM 981 CD ARG A 64 39.082 24.380 -32.382 1.00 42.55 C ATOM 982 NE ARG A 64 38.759 25.810 -32.312 1.00 31.25 N ATOM 983 CZ ARG A 64 37.996 26.451 -33.196 1.00 15.00 C ATOM 984 NH1 ARG A 64 37.532 25.814 -34.264 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 37.709 27.735 -33.013 1.00 70.22 N ATOM 0 H ARG A 64 42.389 26.096 -29.136 1.00 62.12 H new ATOM 0 HA ARG A 64 39.953 24.761 -30.098 1.00 22.32 H new ATOM 0 HB2 ARG A 64 41.300 26.040 -31.958 1.00 54.44 H new ATOM 0 HB3 ARG A 64 42.458 24.739 -31.765 1.00 54.44 H new ATOM 0 HG2 ARG A 64 40.852 24.311 -33.601 1.00 13.01 H new ATOM 0 HG3 ARG A 64 40.790 23.074 -32.361 1.00 13.01 H new ATOM 0 HD2 ARG A 64 38.536 23.928 -33.210 1.00 42.55 H new ATOM 0 HD3 ARG A 64 38.741 23.890 -31.470 1.00 42.55 H new ATOM 0 HE ARG A 64 39.144 26.348 -31.536 1.00 31.25 H new ATOM 0 HH11 ARG A 64 37.759 24.830 -34.410 1.00 3.51 H new ATOM 0 HH12 ARG A 64 36.948 26.308 -34.939 1.00 3.51 H new ATOM 0 HH21 ARG A 64 38.073 28.228 -32.197 1.00 70.22 H new ATOM 0 HH22 ARG A 64 37.125 28.228 -33.688 1.00 70.22 H new ATOM 999 N PHE A 65 40.939 22.650 -29.250 1.00 1.01 N ATOM 1000 CA PHE A 65 41.458 21.485 -28.550 1.00 71.14 C ATOM 1001 C PHE A 65 41.760 20.345 -29.514 1.00 51.04 C ATOM 1002 O PHE A 65 40.868 19.819 -30.179 1.00 10.13 O ATOM 1003 CB PHE A 65 40.467 21.037 -27.476 1.00 12.02 C ATOM 1004 CG PHE A 65 40.294 22.049 -26.378 1.00 4.35 C ATOM 1005 CD1 PHE A 65 39.396 23.095 -26.515 1.00 23.21 C ATOM 1006 CD2 PHE A 65 41.040 21.960 -25.215 1.00 74.42 C ATOM 1007 CE1 PHE A 65 39.243 24.032 -25.512 1.00 40.23 C ATOM 1008 CE2 PHE A 65 40.891 22.896 -24.207 1.00 32.51 C ATOM 1009 CZ PHE A 65 39.993 23.934 -24.356 1.00 22.21 C ATOM 0 H PHE A 65 39.949 22.595 -29.487 1.00 1.01 H new ATOM 0 HA PHE A 65 42.396 21.765 -28.072 1.00 71.14 H new ATOM 0 HB2 PHE A 65 39.500 20.843 -27.940 1.00 12.02 H new ATOM 0 HB3 PHE A 65 40.808 20.096 -27.045 1.00 12.02 H new ATOM 0 HD1 PHE A 65 38.808 23.179 -27.417 1.00 23.21 H new ATOM 0 HD2 PHE A 65 41.746 21.151 -25.093 1.00 74.42 H new ATOM 0 HE1 PHE A 65 38.537 24.841 -25.631 1.00 40.23 H new ATOM 0 HE2 PHE A 65 41.477 22.815 -23.304 1.00 32.51 H new ATOM 0 HZ PHE A 65 39.877 24.667 -23.571 1.00 22.21 H new ATOM 1019 N LEU A 66 43.032 19.989 -29.591 1.00 3.44 N ATOM 1020 CA LEU A 66 43.496 18.921 -30.463 1.00 54.44 C ATOM 1021 C LEU A 66 43.956 17.730 -29.630 1.00 3.34 C ATOM 1022 O LEU A 66 44.952 17.825 -28.919 1.00 63.15 O ATOM 1023 CB LEU A 66 44.670 19.403 -31.334 1.00 43.35 C ATOM 1024 CG LEU A 66 44.339 20.425 -32.433 1.00 33.23 C ATOM 1025 CD1 LEU A 66 44.046 21.795 -31.845 1.00 0.12 C ATOM 1026 CD2 LEU A 66 45.488 20.517 -33.423 1.00 53.02 C ATOM 0 H LEU A 66 43.774 20.433 -29.050 1.00 3.44 H new ATOM 0 HA LEU A 66 42.668 18.626 -31.107 1.00 54.44 H new ATOM 0 HB2 LEU A 66 45.423 19.840 -30.678 1.00 43.35 H new ATOM 0 HB3 LEU A 66 45.124 18.532 -31.805 1.00 43.35 H new ATOM 0 HG LEU A 66 43.443 20.083 -32.951 1.00 33.23 H new ATOM 0 HD11 LEU A 66 43.816 22.494 -32.649 1.00 0.12 H new ATOM 0 HD12 LEU A 66 43.194 21.726 -31.169 1.00 0.12 H new ATOM 0 HD13 LEU A 66 44.918 22.149 -31.295 1.00 0.12 H new ATOM 0 HD21 LEU A 66 45.243 21.244 -34.198 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.392 20.832 -32.902 1.00 53.02 H new ATOM 0 HD23 LEU A 66 45.653 19.541 -33.880 1.00 53.02 H new ATOM 1038 N TYR A 67 43.251 16.609 -29.717 1.00 31.41 N ATOM 1039 CA TYR A 67 43.676 15.422 -28.992 1.00 20.11 C ATOM 1040 C TYR A 67 44.124 14.348 -29.964 1.00 74.01 C ATOM 1041 O TYR A 67 43.605 14.258 -31.075 1.00 2.22 O ATOM 1042 CB TYR A 67 42.599 14.896 -28.033 1.00 43.11 C ATOM 1043 CG TYR A 67 41.454 14.130 -28.664 1.00 44.31 C ATOM 1044 CD1 TYR A 67 41.489 12.742 -28.748 1.00 53.11 C ATOM 1045 CD2 TYR A 67 40.333 14.787 -29.145 1.00 43.34 C ATOM 1046 CE1 TYR A 67 40.437 12.032 -29.292 1.00 20.14 C ATOM 1047 CE2 TYR A 67 39.277 14.083 -29.695 1.00 70.41 C ATOM 1048 CZ TYR A 67 39.334 12.707 -29.767 1.00 13.14 C ATOM 1049 OH TYR A 67 38.278 12.004 -30.309 1.00 73.41 O ATOM 0 H TYR A 67 42.401 16.498 -30.270 1.00 31.41 H new ATOM 0 HA TYR A 67 44.523 15.707 -28.368 1.00 20.11 H new ATOM 0 HB2 TYR A 67 43.080 14.249 -27.300 1.00 43.11 H new ATOM 0 HB3 TYR A 67 42.184 15.743 -27.487 1.00 43.11 H new ATOM 0 HD1 TYR A 67 42.354 12.210 -28.381 1.00 53.11 H new ATOM 0 HD2 TYR A 67 40.283 15.864 -29.090 1.00 43.34 H new ATOM 0 HE1 TYR A 67 40.479 10.954 -29.345 1.00 20.14 H new ATOM 0 HE2 TYR A 67 38.410 14.609 -30.067 1.00 70.41 H new ATOM 0 HH TYR A 67 37.860 11.454 -29.614 1.00 73.41 H new ATOM 1059 N ASP A 68 45.119 13.568 -29.552 1.00 41.34 N ATOM 1060 CA ASP A 68 45.805 12.635 -30.450 1.00 70.30 C ATOM 1061 C ASP A 68 46.451 13.420 -31.600 1.00 63.40 C ATOM 1062 O ASP A 68 46.780 12.885 -32.661 1.00 15.11 O ATOM 1063 CB ASP A 68 44.821 11.572 -30.973 1.00 75.51 C ATOM 1064 CG ASP A 68 45.472 10.540 -31.871 1.00 2.14 C ATOM 1065 OD1 ASP A 68 46.472 9.921 -31.451 1.00 32.21 O ATOM 1066 OD2 ASP A 68 44.979 10.335 -33.000 1.00 31.41 O1- ATOM 0 H ASP A 68 45.473 13.562 -28.595 1.00 41.34 H new ATOM 0 HA ASP A 68 46.590 12.111 -29.905 1.00 70.30 H new ATOM 0 HB2 ASP A 68 44.360 11.066 -30.125 1.00 75.51 H new ATOM 0 HB3 ASP A 68 44.020 12.068 -31.522 1.00 75.51 H new ATOM 1071 N GLY A 69 46.676 14.706 -31.349 1.00 73.33 N ATOM 1072 CA GLY A 69 47.300 15.567 -32.331 1.00 31.22 C ATOM 1073 C GLY A 69 46.300 16.241 -33.254 1.00 61.52 C ATOM 1074 O GLY A 69 46.655 17.175 -33.979 1.00 60.14 O ATOM 0 H GLY A 69 46.433 15.169 -30.473 1.00 73.33 H new ATOM 0 HA2 GLY A 69 47.883 16.331 -31.817 1.00 31.22 H new ATOM 0 HA3 GLY A 69 47.998 14.981 -32.928 1.00 31.22 H new ATOM 1078 N ASP A 70 45.049 15.795 -33.231 1.00 53.11 N ATOM 1079 CA ASP A 70 44.052 16.322 -34.153 1.00 72.13 C ATOM 1080 C ASP A 70 42.769 16.730 -33.437 1.00 44.24 C ATOM 1081 O ASP A 70 42.199 15.964 -32.666 1.00 64.30 O ATOM 1082 CB ASP A 70 43.734 15.298 -35.245 1.00 12.43 C ATOM 1083 CG ASP A 70 42.866 15.880 -36.343 1.00 51.11 C ATOM 1084 OD1 ASP A 70 43.358 16.756 -37.086 1.00 0.21 O ATOM 1085 OD2 ASP A 70 41.702 15.464 -36.484 1.00 51.24 O1- ATOM 0 H ASP A 70 44.705 15.078 -32.592 1.00 53.11 H new ATOM 0 HA ASP A 70 44.479 17.216 -34.608 1.00 72.13 H new ATOM 0 HB2 ASP A 70 44.665 14.930 -35.677 1.00 12.43 H new ATOM 0 HB3 ASP A 70 43.228 14.441 -34.800 1.00 12.43 H new ATOM 1090 N ARG A 71 42.343 17.961 -33.679 1.00 22.42 N ATOM 1091 CA ARG A 71 41.074 18.462 -33.152 1.00 4.53 C ATOM 1092 C ARG A 71 39.879 17.694 -33.720 1.00 73.24 C ATOM 1093 O ARG A 71 39.988 17.043 -34.755 1.00 53.50 O ATOM 1094 CB ARG A 71 40.926 19.972 -33.426 1.00 35.54 C ATOM 1095 CG ARG A 71 41.509 20.470 -34.757 1.00 31.51 C ATOM 1096 CD ARG A 71 40.590 20.237 -35.954 1.00 31.40 C ATOM 1097 NE ARG A 71 40.679 18.876 -36.480 1.00 41.13 N ATOM 1098 CZ ARG A 71 40.262 18.503 -37.688 1.00 30.34 C ATOM 1099 NH1 ARG A 71 39.738 19.389 -38.531 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 40.381 17.236 -38.051 1.00 61.14 N ATOM 0 H ARG A 71 42.859 18.638 -34.241 1.00 22.42 H new ATOM 0 HA ARG A 71 41.085 18.302 -32.074 1.00 4.53 H new ATOM 0 HB2 ARG A 71 39.866 20.225 -33.398 1.00 35.54 H new ATOM 0 HB3 ARG A 71 41.406 20.518 -32.614 1.00 35.54 H new ATOM 0 HG2 ARG A 71 41.721 21.536 -34.675 1.00 31.51 H new ATOM 0 HG3 ARG A 71 42.460 19.969 -34.937 1.00 31.51 H new ATOM 0 HD2 ARG A 71 39.560 20.442 -35.661 1.00 31.40 H new ATOM 0 HD3 ARG A 71 40.843 20.944 -36.744 1.00 31.40 H new ATOM 0 HE ARG A 71 41.090 18.162 -35.879 1.00 41.13 H new ATOM 0 HH11 ARG A 71 39.652 20.367 -38.255 1.00 31.45 H new ATOM 0 HH12 ARG A 71 39.422 19.090 -39.454 1.00 31.45 H new ATOM 0 HH21 ARG A 71 40.789 16.557 -37.408 1.00 61.14 H new ATOM 0 HH22 ARG A 71 40.065 16.938 -38.974 1.00 61.14 H new ATOM 1114 N ILE A 72 38.749 17.756 -33.023 1.00 75.30 N ATOM 1115 CA ILE A 72 37.513 17.147 -33.507 1.00 23.12 C ATOM 1116 C ILE A 72 36.354 17.534 -32.576 1.00 21.23 C ATOM 1117 O ILE A 72 36.529 18.383 -31.701 1.00 74.34 O ATOM 1118 CB ILE A 72 37.653 15.602 -33.628 1.00 62.51 C ATOM 1119 CG1 ILE A 72 36.624 15.034 -34.612 1.00 50.23 C ATOM 1120 CG2 ILE A 72 37.517 14.931 -32.270 1.00 14.53 C ATOM 1121 CD1 ILE A 72 36.771 13.547 -34.857 1.00 62.02 C ATOM 0 H ILE A 72 38.663 18.222 -32.120 1.00 75.30 H new ATOM 0 HA ILE A 72 37.301 17.524 -34.508 1.00 23.12 H new ATOM 0 HB ILE A 72 38.650 15.390 -34.013 1.00 62.51 H new ATOM 0 HG12 ILE A 72 35.622 15.233 -34.231 1.00 50.23 H new ATOM 0 HG13 ILE A 72 36.714 15.560 -35.562 1.00 50.23 H new ATOM 0 HG21 ILE A 72 37.619 13.852 -32.385 1.00 14.53 H new ATOM 0 HG22 ILE A 72 38.296 15.300 -31.602 1.00 14.53 H new ATOM 0 HG23 ILE A 72 36.539 15.160 -31.848 1.00 14.53 H new ATOM 0 HD11 ILE A 72 36.009 13.218 -35.563 1.00 62.02 H new ATOM 0 HD12 ILE A 72 37.760 13.342 -35.268 1.00 62.02 H new ATOM 0 HD13 ILE A 72 36.650 13.010 -33.916 1.00 62.02 H new ATOM 1133 N HIS A 73 35.179 16.936 -32.766 1.00 53.04 N ATOM 1134 CA HIS A 73 34.012 17.266 -31.949 1.00 43.03 C ATOM 1135 C HIS A 73 34.131 16.642 -30.563 1.00 24.44 C ATOM 1136 O HIS A 73 34.751 15.593 -30.394 1.00 15.32 O ATOM 1137 CB HIS A 73 32.717 16.764 -32.601 1.00 55.44 C ATOM 1138 CG HIS A 73 32.347 17.426 -33.891 1.00 52.52 C ATOM 1139 ND1 HIS A 73 31.047 17.734 -34.223 1.00 23.24 N ATOM 1140 CD2 HIS A 73 33.100 17.793 -34.952 1.00 42.44 C ATOM 1141 CE1 HIS A 73 31.019 18.265 -35.431 1.00 61.52 C ATOM 1142 NE2 HIS A 73 32.253 18.312 -35.899 1.00 53.34 N ATOM 0 H HIS A 73 35.010 16.223 -33.476 1.00 53.04 H new ATOM 0 HA HIS A 73 33.976 18.352 -31.865 1.00 43.03 H new ATOM 0 HB2 HIS A 73 32.811 15.692 -32.776 1.00 55.44 H new ATOM 0 HB3 HIS A 73 31.898 16.901 -31.895 1.00 55.44 H new ATOM 0 HD2 HIS A 73 34.172 17.696 -35.039 1.00 42.44 H new ATOM 0 HE1 HIS A 73 30.135 18.604 -35.950 1.00 61.52 H new ATOM 0 HE2 HIS A 73 32.530 18.674 -36.812 1.00 53.34 H new ATOM 1151 N GLY A 74 33.512 17.280 -29.579 1.00 2.32 N ATOM 1152 CA GLY A 74 33.520 16.750 -28.231 1.00 30.33 C ATOM 1153 C GLY A 74 32.630 15.532 -28.089 1.00 45.23 C ATOM 1154 O GLY A 74 32.776 14.747 -27.148 1.00 50.31 O ATOM 0 H GLY A 74 33.004 18.157 -29.691 1.00 2.32 H new ATOM 0 HA2 GLY A 74 34.540 16.487 -27.952 1.00 30.33 H new ATOM 0 HA3 GLY A 74 33.189 17.522 -27.537 1.00 30.33 H new ATOM 1158 N ASP A 75 31.699 15.379 -29.025 1.00 32.14 N ATOM 1159 CA ASP A 75 30.760 14.264 -29.005 1.00 72.23 C ATOM 1160 C ASP A 75 31.420 12.968 -29.457 1.00 10.20 C ATOM 1161 O ASP A 75 30.914 11.882 -29.175 1.00 3.33 O ATOM 1162 CB ASP A 75 29.534 14.559 -29.878 1.00 71.41 C ATOM 1163 CG ASP A 75 29.886 14.891 -31.317 1.00 34.44 C ATOM 1164 OD1 ASP A 75 29.864 16.088 -31.673 1.00 15.34 O ATOM 1165 OD2 ASP A 75 30.167 13.962 -32.103 1.00 4.31 O1- ATOM 0 H ASP A 75 31.575 16.017 -29.811 1.00 32.14 H new ATOM 0 HA ASP A 75 30.434 14.139 -27.973 1.00 72.23 H new ATOM 0 HB2 ASP A 75 28.870 13.694 -29.864 1.00 71.41 H new ATOM 0 HB3 ASP A 75 28.981 15.392 -29.445 1.00 71.41 H new ATOM 1170 N ASN A 76 32.547 13.076 -30.152 1.00 64.25 N ATOM 1171 CA ASN A 76 33.272 11.894 -30.604 1.00 64.43 C ATOM 1172 C ASN A 76 33.860 11.156 -29.411 1.00 13.52 C ATOM 1173 O ASN A 76 33.758 9.935 -29.322 1.00 71.25 O ATOM 1174 CB ASN A 76 34.388 12.265 -31.586 1.00 33.10 C ATOM 1175 CG ASN A 76 33.861 12.814 -32.896 1.00 40.10 C ATOM 1176 OD1 ASN A 76 33.667 14.018 -33.043 1.00 32.24 O ATOM 1177 ND2 ASN A 76 33.629 11.939 -33.859 1.00 30.14 N ATOM 0 H ASN A 76 32.976 13.964 -30.413 1.00 64.25 H new ATOM 0 HA ASN A 76 32.566 11.245 -31.122 1.00 64.43 H new ATOM 0 HB2 ASN A 76 35.041 13.005 -31.124 1.00 33.10 H new ATOM 0 HB3 ASN A 76 34.997 11.384 -31.786 1.00 33.10 H new ATOM 0 HD21 ASN A 76 33.277 12.256 -34.762 1.00 30.14 H new ATOM 0 HD22 ASN A 76 33.802 10.947 -33.699 1.00 30.14 H new ATOM 1184 N THR A 77 34.449 11.924 -28.491 1.00 21.44 N ATOM 1185 CA THR A 77 35.091 11.401 -27.276 1.00 65.40 C ATOM 1186 C THR A 77 36.274 10.476 -27.616 1.00 53.35 C ATOM 1187 O THR A 77 36.416 10.015 -28.750 1.00 42.51 O ATOM 1188 CB THR A 77 34.081 10.680 -26.329 1.00 70.12 C ATOM 1189 OG1 THR A 77 33.708 9.398 -26.846 1.00 4.33 O ATOM 1190 CG2 THR A 77 32.829 11.522 -26.128 1.00 65.33 C ATOM 0 H THR A 77 34.496 12.940 -28.567 1.00 21.44 H new ATOM 0 HA THR A 77 35.477 12.266 -26.737 1.00 65.40 H new ATOM 0 HB THR A 77 34.581 10.543 -25.370 1.00 70.12 H new ATOM 0 HG1 THR A 77 33.980 9.332 -27.785 1.00 4.33 H new ATOM 0 HG21 THR A 77 32.141 10.998 -25.465 1.00 65.33 H new ATOM 0 HG22 THR A 77 33.102 12.480 -25.685 1.00 65.33 H new ATOM 0 HG23 THR A 77 32.346 11.692 -27.090 1.00 65.33 H new ATOM 1198 N PRO A 78 37.166 10.214 -26.644 1.00 63.14 N ATOM 1199 CA PRO A 78 38.342 9.361 -26.862 1.00 44.41 C ATOM 1200 C PRO A 78 37.961 7.918 -27.185 1.00 73.22 C ATOM 1201 O PRO A 78 38.558 7.286 -28.060 1.00 62.52 O ATOM 1202 CB PRO A 78 39.093 9.428 -25.523 1.00 13.24 C ATOM 1203 CG PRO A 78 38.543 10.621 -24.822 1.00 24.53 C ATOM 1204 CD PRO A 78 37.116 10.732 -25.269 1.00 62.11 C ATOM 0 HA PRO A 78 38.933 9.699 -27.713 1.00 44.41 H new ATOM 0 HB2 PRO A 78 38.936 8.521 -24.938 1.00 13.24 H new ATOM 0 HB3 PRO A 78 40.167 9.524 -25.679 1.00 13.24 H new ATOM 0 HG2 PRO A 78 38.606 10.503 -23.740 1.00 24.53 H new ATOM 0 HG3 PRO A 78 39.105 11.519 -25.078 1.00 24.53 H new ATOM 0 HD2 PRO A 78 36.448 10.145 -24.639 1.00 62.11 H new ATOM 0 HD3 PRO A 78 36.761 11.762 -25.237 1.00 62.11 H new ATOM 1212 N GLU A 79 36.933 7.426 -26.501 1.00 53.55 N ATOM 1213 CA GLU A 79 36.518 6.030 -26.608 1.00 13.34 C ATOM 1214 C GLU A 79 36.257 5.647 -28.064 1.00 42.02 C ATOM 1215 O GLU A 79 36.778 4.646 -28.556 1.00 71.44 O ATOM 1216 CB GLU A 79 35.254 5.809 -25.768 1.00 73.21 C ATOM 1217 CG GLU A 79 35.053 4.378 -25.282 1.00 74.52 C ATOM 1218 CD GLU A 79 34.901 3.367 -26.401 1.00 5.43 C ATOM 1219 OE1 GLU A 79 33.858 3.381 -27.087 1.00 63.15 O ATOM 1220 OE2 GLU A 79 35.817 2.539 -26.587 1.00 62.13 O1- ATOM 0 H GLU A 79 36.366 7.980 -25.859 1.00 53.55 H new ATOM 0 HA GLU A 79 37.321 5.396 -26.233 1.00 13.34 H new ATOM 0 HB2 GLU A 79 35.289 6.470 -24.902 1.00 73.21 H new ATOM 0 HB3 GLU A 79 34.386 6.103 -26.358 1.00 73.21 H new ATOM 0 HG2 GLU A 79 35.902 4.093 -24.660 1.00 74.52 H new ATOM 0 HG3 GLU A 79 34.167 4.341 -24.648 1.00 74.52 H new ATOM 1227 N GLN A 80 35.482 6.474 -28.756 1.00 45.33 N ATOM 1228 CA GLN A 80 35.045 6.166 -30.113 1.00 74.25 C ATOM 1229 C GLN A 80 36.217 6.164 -31.098 1.00 73.11 C ATOM 1230 O GLN A 80 36.143 5.530 -32.150 1.00 61.03 O ATOM 1231 CB GLN A 80 33.984 7.174 -30.559 1.00 42.54 C ATOM 1232 CG GLN A 80 33.180 6.752 -31.784 1.00 40.33 C ATOM 1233 CD GLN A 80 32.124 5.694 -31.485 1.00 61.53 C ATOM 1234 OE1 GLN A 80 31.064 5.669 -32.113 1.00 12.31 O ATOM 1235 NE2 GLN A 80 32.402 4.809 -30.538 1.00 14.43 N ATOM 0 H GLN A 80 35.142 7.367 -28.398 1.00 45.33 H new ATOM 0 HA GLN A 80 34.616 5.164 -30.108 1.00 74.25 H new ATOM 0 HB2 GLN A 80 33.296 7.347 -29.731 1.00 42.54 H new ATOM 0 HB3 GLN A 80 34.472 8.125 -30.772 1.00 42.54 H new ATOM 0 HG2 GLN A 80 32.693 7.630 -32.209 1.00 40.33 H new ATOM 0 HG3 GLN A 80 33.863 6.368 -32.542 1.00 40.33 H new ATOM 0 HE21 GLN A 80 33.290 4.859 -30.038 1.00 14.43 H new ATOM 0 HE22 GLN A 80 31.728 4.078 -30.310 1.00 14.43 H new ATOM 1244 N LEU A 81 37.297 6.856 -30.753 1.00 2.24 N ATOM 1245 CA LEU A 81 38.445 6.949 -31.640 1.00 73.11 C ATOM 1246 C LEU A 81 39.379 5.766 -31.419 1.00 31.23 C ATOM 1247 O LEU A 81 40.082 5.338 -32.333 1.00 13.32 O ATOM 1248 CB LEU A 81 39.193 8.268 -31.418 1.00 12.23 C ATOM 1249 CG LEU A 81 40.320 8.551 -32.418 1.00 34.10 C ATOM 1250 CD1 LEU A 81 39.769 8.655 -33.833 1.00 12.24 C ATOM 1251 CD2 LEU A 81 41.061 9.823 -32.043 1.00 63.31 C ATOM 0 H LEU A 81 37.399 7.357 -29.871 1.00 2.24 H new ATOM 0 HA LEU A 81 38.089 6.926 -32.670 1.00 73.11 H new ATOM 0 HB2 LEU A 81 38.475 9.087 -31.462 1.00 12.23 H new ATOM 0 HB3 LEU A 81 39.613 8.265 -30.412 1.00 12.23 H new ATOM 0 HG LEU A 81 41.023 7.719 -32.383 1.00 34.10 H new ATOM 0 HD11 LEU A 81 40.585 8.856 -34.527 1.00 12.24 H new ATOM 0 HD12 LEU A 81 39.284 7.717 -34.105 1.00 12.24 H new ATOM 0 HD13 LEU A 81 39.043 9.466 -33.882 1.00 12.24 H new ATOM 0 HD21 LEU A 81 41.857 10.007 -32.765 1.00 63.31 H new ATOM 0 HD22 LEU A 81 40.367 10.663 -32.047 1.00 63.31 H new ATOM 0 HD23 LEU A 81 41.492 9.713 -31.048 1.00 63.31 H new ATOM 1263 N GLY A 82 39.391 5.248 -30.196 1.00 62.20 N ATOM 1264 CA GLY A 82 40.201 4.091 -29.893 1.00 2.54 C ATOM 1265 C GLY A 82 41.351 4.455 -28.992 1.00 50.45 C ATOM 1266 O GLY A 82 41.957 3.594 -28.355 1.00 62.11 O ATOM 0 H GLY A 82 38.852 5.612 -29.410 1.00 62.20 H new ATOM 0 HA2 GLY A 82 39.587 3.329 -29.414 1.00 2.54 H new ATOM 0 HA3 GLY A 82 40.582 3.658 -30.818 1.00 2.54 H new ATOM 1270 N ILE A 83 41.653 5.740 -28.947 1.00 21.12 N ATOM 1271 CA ILE A 83 42.670 6.252 -28.056 1.00 62.23 C ATOM 1272 C ILE A 83 42.000 6.867 -26.838 1.00 53.32 C ATOM 1273 O ILE A 83 41.102 7.693 -26.963 1.00 34.30 O ATOM 1274 CB ILE A 83 43.593 7.270 -28.767 1.00 12.34 C ATOM 1275 CG1 ILE A 83 44.795 7.602 -27.879 1.00 11.32 C ATOM 1276 CG2 ILE A 83 42.838 8.537 -29.158 1.00 63.43 C ATOM 1277 CD1 ILE A 83 45.864 8.400 -28.587 1.00 21.45 C ATOM 0 H ILE A 83 41.202 6.451 -29.523 1.00 21.12 H new ATOM 0 HA ILE A 83 43.307 5.428 -27.736 1.00 62.23 H new ATOM 0 HB ILE A 83 43.953 6.812 -29.688 1.00 12.34 H new ATOM 0 HG12 ILE A 83 44.451 8.162 -27.009 1.00 11.32 H new ATOM 0 HG13 ILE A 83 45.231 6.674 -27.509 1.00 11.32 H new ATOM 0 HG21 ILE A 83 43.519 9.228 -29.655 1.00 63.43 H new ATOM 0 HG22 ILE A 83 42.023 8.281 -29.835 1.00 63.43 H new ATOM 0 HG23 ILE A 83 42.431 9.009 -28.264 1.00 63.43 H new ATOM 0 HD11 ILE A 83 46.685 8.599 -27.899 1.00 21.45 H new ATOM 0 HD12 ILE A 83 46.236 7.833 -29.441 1.00 21.45 H new ATOM 0 HD13 ILE A 83 45.444 9.344 -28.934 1.00 21.45 H new ATOM 1289 N GLU A 84 42.410 6.437 -25.666 1.00 64.03 N ATOM 1290 CA GLU A 84 41.692 6.774 -24.455 1.00 52.21 C ATOM 1291 C GLU A 84 42.663 7.288 -23.385 1.00 4.41 C ATOM 1292 O GLU A 84 43.692 7.874 -23.721 1.00 32.15 O ATOM 1293 CB GLU A 84 40.899 5.549 -23.983 1.00 52.31 C ATOM 1294 CG GLU A 84 39.731 5.883 -23.066 1.00 42.14 C ATOM 1295 CD GLU A 84 39.013 4.649 -22.563 1.00 24.00 C ATOM 1296 OE1 GLU A 84 38.427 3.915 -23.386 1.00 30.13 O ATOM 1297 OE2 GLU A 84 39.031 4.407 -21.342 1.00 13.42 O1- ATOM 0 H GLU A 84 43.235 5.854 -25.524 1.00 64.03 H new ATOM 0 HA GLU A 84 40.984 7.579 -24.650 1.00 52.21 H new ATOM 0 HB2 GLU A 84 40.522 5.015 -24.855 1.00 52.31 H new ATOM 0 HB3 GLU A 84 41.574 4.871 -23.462 1.00 52.31 H new ATOM 0 HG2 GLU A 84 40.095 6.459 -22.215 1.00 42.14 H new ATOM 0 HG3 GLU A 84 39.024 6.517 -23.601 1.00 42.14 H new ATOM 1304 N ASP A 85 42.312 7.087 -22.112 1.00 34.14 N ATOM 1305 CA ASP A 85 43.052 7.648 -20.977 1.00 62.20 C ATOM 1306 C ASP A 85 44.569 7.521 -21.142 1.00 24.11 C ATOM 1307 O ASP A 85 45.093 6.462 -21.489 1.00 63.13 O ATOM 1308 CB ASP A 85 42.614 6.976 -19.667 1.00 41.01 C ATOM 1309 CG ASP A 85 43.195 5.587 -19.483 1.00 33.33 C ATOM 1310 OD1 ASP A 85 42.827 4.671 -20.244 1.00 0.20 O ATOM 1311 OD2 ASP A 85 44.015 5.399 -18.562 1.00 54.52 O1- ATOM 0 H ASP A 85 41.504 6.529 -21.838 1.00 34.14 H new ATOM 0 HA ASP A 85 42.815 8.711 -20.943 1.00 62.20 H new ATOM 0 HB2 ASP A 85 42.914 7.602 -18.827 1.00 41.01 H new ATOM 0 HB3 ASP A 85 41.526 6.913 -19.645 1.00 41.01 H new ATOM 1316 N GLY A 86 45.262 8.622 -20.908 1.00 32.23 N ATOM 1317 CA GLY A 86 46.705 8.637 -21.029 1.00 42.34 C ATOM 1318 C GLY A 86 47.169 9.512 -22.173 1.00 60.32 C ATOM 1319 O GLY A 86 48.362 9.787 -22.314 1.00 42.55 O ATOM 0 H GLY A 86 44.848 9.513 -20.634 1.00 32.23 H new ATOM 0 HA2 GLY A 86 47.143 8.996 -20.098 1.00 42.34 H new ATOM 0 HA3 GLY A 86 47.067 7.620 -21.181 1.00 42.34 H new ATOM 1323 N ASP A 87 46.220 9.955 -22.987 1.00 21.12 N ATOM 1324 CA ASP A 87 46.533 10.814 -24.126 1.00 23.23 C ATOM 1325 C ASP A 87 46.435 12.279 -23.715 1.00 62.04 C ATOM 1326 O ASP A 87 45.962 12.591 -22.616 1.00 50.43 O ATOM 1327 CB ASP A 87 45.595 10.523 -25.306 1.00 41.43 C ATOM 1328 CG ASP A 87 46.005 11.268 -26.564 1.00 70.52 C ATOM 1329 OD1 ASP A 87 45.180 12.018 -27.115 1.00 13.22 O ATOM 1330 OD2 ASP A 87 47.177 11.127 -26.982 1.00 3.13 O1- ATOM 0 H ASP A 87 45.229 9.736 -22.882 1.00 21.12 H new ATOM 0 HA ASP A 87 47.553 10.604 -24.448 1.00 23.23 H new ATOM 0 HB2 ASP A 87 45.588 9.452 -25.507 1.00 41.43 H new ATOM 0 HB3 ASP A 87 44.577 10.803 -25.036 1.00 41.43 H new ATOM 1335 N VAL A 88 46.889 13.173 -24.577 1.00 40.21 N ATOM 1336 CA VAL A 88 46.885 14.590 -24.265 1.00 30.05 C ATOM 1337 C VAL A 88 46.042 15.374 -25.265 1.00 62.31 C ATOM 1338 O VAL A 88 45.743 14.899 -26.361 1.00 44.01 O ATOM 1339 CB VAL A 88 48.315 15.173 -24.229 1.00 1.54 C ATOM 1340 CG1 VAL A 88 49.195 14.375 -23.279 1.00 21.12 C ATOM 1341 CG2 VAL A 88 48.924 15.214 -25.623 1.00 55.10 C ATOM 0 H VAL A 88 47.264 12.942 -25.497 1.00 40.21 H new ATOM 0 HA VAL A 88 46.445 14.690 -23.273 1.00 30.05 H new ATOM 0 HB VAL A 88 48.253 16.197 -23.861 1.00 1.54 H new ATOM 0 HG11 VAL A 88 50.198 14.801 -23.268 1.00 21.12 H new ATOM 0 HG12 VAL A 88 48.773 14.412 -22.275 1.00 21.12 H new ATOM 0 HG13 VAL A 88 49.245 13.339 -23.613 1.00 21.12 H new ATOM 0 HG21 VAL A 88 49.931 15.629 -25.568 1.00 55.10 H new ATOM 0 HG22 VAL A 88 48.969 14.204 -26.030 1.00 55.10 H new ATOM 0 HG23 VAL A 88 48.309 15.839 -26.271 1.00 55.10 H new ATOM 1351 N ILE A 89 45.672 16.579 -24.871 1.00 14.43 N ATOM 1352 CA ILE A 89 44.856 17.457 -25.689 1.00 51.25 C ATOM 1353 C ILE A 89 45.484 18.834 -25.686 1.00 71.31 C ATOM 1354 O ILE A 89 45.585 19.464 -24.639 1.00 41.13 O ATOM 1355 CB ILE A 89 43.407 17.569 -25.163 1.00 64.41 C ATOM 1356 CG1 ILE A 89 42.774 16.184 -25.004 1.00 0.23 C ATOM 1357 CG2 ILE A 89 42.571 18.428 -26.102 1.00 64.41 C ATOM 1358 CD1 ILE A 89 41.328 16.220 -24.556 1.00 62.23 C ATOM 0 H ILE A 89 45.931 16.978 -23.969 1.00 14.43 H new ATOM 0 HA ILE A 89 44.812 17.038 -26.694 1.00 51.25 H new ATOM 0 HB ILE A 89 43.436 18.044 -24.182 1.00 64.41 H new ATOM 0 HG12 ILE A 89 42.837 15.655 -25.955 1.00 0.23 H new ATOM 0 HG13 ILE A 89 43.354 15.611 -24.281 1.00 0.23 H new ATOM 0 HG21 ILE A 89 41.553 18.499 -25.720 1.00 64.41 H new ATOM 0 HG22 ILE A 89 43.005 19.426 -26.166 1.00 64.41 H new ATOM 0 HG23 ILE A 89 42.556 17.975 -27.093 1.00 64.41 H new ATOM 0 HD11 ILE A 89 40.950 15.202 -24.466 1.00 62.23 H new ATOM 0 HD12 ILE A 89 41.259 16.720 -23.590 1.00 62.23 H new ATOM 0 HD13 ILE A 89 40.733 16.765 -25.289 1.00 62.23 H new ATOM 1370 N ASP A 90 45.904 19.301 -26.838 1.00 34.30 N ATOM 1371 CA ASP A 90 46.623 20.559 -26.918 1.00 21.13 C ATOM 1372 C ASP A 90 45.675 21.668 -27.326 1.00 54.30 C ATOM 1373 O ASP A 90 44.969 21.547 -28.331 1.00 1.13 O ATOM 1374 CB ASP A 90 47.749 20.445 -27.936 1.00 33.21 C ATOM 1375 CG ASP A 90 48.931 21.342 -27.630 1.00 41.43 C ATOM 1376 OD1 ASP A 90 50.002 20.801 -27.268 1.00 53.43 O ATOM 1377 OD2 ASP A 90 48.805 22.572 -27.763 1.00 21.31 O1- ATOM 0 H ASP A 90 45.763 18.833 -27.733 1.00 34.30 H new ATOM 0 HA ASP A 90 47.045 20.791 -25.940 1.00 21.13 H new ATOM 0 HB2 ASP A 90 48.089 19.410 -27.976 1.00 33.21 H new ATOM 0 HB3 ASP A 90 47.361 20.692 -28.924 1.00 33.21 H new ATOM 1382 N ALA A 91 45.632 22.728 -26.537 1.00 30.14 N ATOM 1383 CA ALA A 91 44.788 23.856 -26.851 1.00 22.54 C ATOM 1384 C ALA A 91 45.592 24.948 -27.537 1.00 62.41 C ATOM 1385 O ALA A 91 46.513 25.520 -26.957 1.00 34.40 O ATOM 1386 CB ALA A 91 44.123 24.388 -25.593 1.00 33.33 C ATOM 0 H ALA A 91 46.172 22.826 -25.677 1.00 30.14 H new ATOM 0 HA ALA A 91 44.008 23.525 -27.537 1.00 22.54 H new ATOM 0 HB1 ALA A 91 43.490 25.238 -25.848 1.00 33.33 H new ATOM 0 HB2 ALA A 91 43.514 23.604 -25.144 1.00 33.33 H new ATOM 0 HB3 ALA A 91 44.887 24.704 -24.883 1.00 33.33 H new ATOM 1392 N MET A 92 45.229 25.236 -28.770 1.00 14.35 N ATOM 1393 CA MET A 92 45.873 26.295 -29.529 1.00 13.21 C ATOM 1394 C MET A 92 44.960 27.509 -29.575 1.00 25.02 C ATOM 1395 O MET A 92 43.771 27.398 -29.283 1.00 71.52 O ATOM 1396 CB MET A 92 46.208 25.811 -30.942 1.00 64.53 C ATOM 1397 CG MET A 92 47.191 24.648 -30.960 1.00 30.25 C ATOM 1398 SD MET A 92 47.551 24.055 -32.624 1.00 45.45 S ATOM 1399 CE MET A 92 48.706 22.734 -32.261 1.00 51.31 C ATOM 0 H MET A 92 44.487 24.750 -29.273 1.00 14.35 H new ATOM 0 HA MET A 92 46.807 26.573 -29.041 1.00 13.21 H new ATOM 0 HB2 MET A 92 45.288 25.509 -31.443 1.00 64.53 H new ATOM 0 HB3 MET A 92 46.625 26.640 -31.514 1.00 64.53 H new ATOM 0 HG2 MET A 92 48.120 24.958 -30.482 1.00 30.25 H new ATOM 0 HG3 MET A 92 46.786 23.828 -30.368 1.00 30.25 H new ATOM 0 HE1 MET A 92 49.025 22.264 -33.191 1.00 51.31 H new ATOM 0 HE2 MET A 92 49.575 23.142 -31.744 1.00 51.31 H new ATOM 0 HE3 MET A 92 48.222 21.991 -31.627 1.00 51.31 H new ATOM 1409 N VAL A 93 45.501 28.660 -29.927 1.00 70.32 N ATOM 1410 CA VAL A 93 44.720 29.891 -29.910 1.00 3.20 C ATOM 1411 C VAL A 93 43.805 29.986 -31.130 1.00 75.10 C ATOM 1412 O VAL A 93 44.254 30.330 -32.227 1.00 71.31 O ATOM 1413 CB VAL A 93 45.621 31.136 -29.842 1.00 52.22 C ATOM 1414 CG1 VAL A 93 44.780 32.403 -29.772 1.00 3.43 C ATOM 1415 CG2 VAL A 93 46.558 31.048 -28.648 1.00 10.04 C ATOM 0 H VAL A 93 46.470 28.773 -30.226 1.00 70.32 H new ATOM 0 HA VAL A 93 44.106 29.859 -29.010 1.00 3.20 H new ATOM 0 HB VAL A 93 46.223 31.176 -30.750 1.00 52.22 H new ATOM 0 HG11 VAL A 93 45.435 33.273 -29.724 1.00 3.43 H new ATOM 0 HG12 VAL A 93 44.150 32.471 -30.659 1.00 3.43 H new ATOM 0 HG13 VAL A 93 44.151 32.374 -28.882 1.00 3.43 H new ATOM 0 HG21 VAL A 93 47.189 31.936 -28.614 1.00 10.04 H new ATOM 0 HG22 VAL A 93 45.973 30.983 -27.731 1.00 10.04 H new ATOM 0 HG23 VAL A 93 47.185 30.161 -28.742 1.00 10.04 H new ATOM 1425 N GLN A 94 42.521 29.680 -30.911 1.00 13.31 N ATOM 1426 CA GLN A 94 41.493 29.691 -31.957 1.00 14.42 C ATOM 1427 C GLN A 94 41.862 28.775 -33.120 1.00 61.22 C ATOM 1428 O GLN A 94 41.439 27.624 -33.170 1.00 71.22 O ATOM 1429 CB GLN A 94 41.238 31.113 -32.460 1.00 11.34 C ATOM 1430 CG GLN A 94 40.472 31.991 -31.498 1.00 20.20 C ATOM 1431 CD GLN A 94 40.361 33.421 -31.984 1.00 32.33 C ATOM 1432 OE1 GLN A 94 39.418 33.780 -32.690 1.00 74.30 O ATOM 1433 NE2 GLN A 94 41.326 34.245 -31.607 1.00 24.31 N ATOM 0 H GLN A 94 42.163 29.415 -29.993 1.00 13.31 H new ATOM 0 HA GLN A 94 40.575 29.310 -31.510 1.00 14.42 H new ATOM 0 HB2 GLN A 94 42.196 31.585 -32.678 1.00 11.34 H new ATOM 0 HB3 GLN A 94 40.688 31.059 -33.399 1.00 11.34 H new ATOM 0 HG2 GLN A 94 39.473 31.581 -31.353 1.00 20.20 H new ATOM 0 HG3 GLN A 94 40.966 31.978 -30.526 1.00 20.20 H new ATOM 0 HE21 GLN A 94 42.088 33.904 -31.021 1.00 24.31 H new ATOM 0 HE22 GLN A 94 41.307 35.221 -31.902 1.00 24.31 H new