USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 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 HE2:sc= 0.505 K(o=0.51,f=-2.4!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.11) USER MOD Single : A 29 SER OG : rot -65:sc= 0.32 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -61:sc= 0.121 USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 2.37 (180deg=1.31) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= 0.68 (180deg=0.419) USER MOD Single : A 49 MET CE :methyl -125:sc= -2.61! (180deg=-7.93!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= -2.89! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0944 F(o=-0.65,f=-0.094) USER MOD Single : A 59 SER OG : rot 58:sc= 1.25 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0273 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.686 F(o=-1.6!,f=-0.69) USER MOD Single : A 77 THR OG1 : rot 8:sc= 0.922 USER MOD Single : A 80 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.92) USER MOD Single : A 92 MET CE :methyl -155:sc= -0.24 (180deg=-0.926) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 268 N HIS A 22 37.209 5.269 -13.878 1.00 3.23 N ATOM 269 CA HIS A 22 37.312 6.668 -14.267 1.00 12.43 C ATOM 270 C HIS A 22 38.419 6.827 -15.302 1.00 51.25 C ATOM 271 O HIS A 22 39.332 6.003 -15.365 1.00 12.05 O ATOM 272 CB HIS A 22 37.592 7.564 -13.050 1.00 71.14 C ATOM 273 CG HIS A 22 36.529 7.522 -11.993 1.00 44.35 C ATOM 274 ND1 HIS A 22 35.180 7.537 -12.272 1.00 50.21 N ATOM 275 CD2 HIS A 22 36.628 7.461 -10.644 1.00 44.15 C ATOM 276 CE1 HIS A 22 34.498 7.490 -11.141 1.00 41.13 C ATOM 277 NE2 HIS A 22 35.355 7.444 -10.136 1.00 12.14 N ATOM 0 HA HIS A 22 36.360 6.979 -14.698 1.00 12.43 H new ATOM 0 HB2 HIS A 22 38.542 7.266 -12.605 1.00 71.14 H new ATOM 0 HB3 HIS A 22 37.708 8.593 -13.391 1.00 71.14 H new ATOM 0 HD1 HIS A 22 34.771 7.578 -13.206 1.00 50.21 H new ATOM 0 HD2 HIS A 22 37.544 7.431 -10.072 1.00 44.15 H new ATOM 0 HE1 HIS A 22 33.422 7.489 -11.053 1.00 41.13 H new ATOM 286 N ILE A 23 38.337 7.877 -16.100 1.00 0.22 N ATOM 287 CA ILE A 23 39.297 8.107 -17.175 1.00 11.25 C ATOM 288 C ILE A 23 40.171 9.320 -16.843 1.00 22.25 C ATOM 289 O ILE A 23 39.864 10.067 -15.920 1.00 42.51 O ATOM 290 CB ILE A 23 38.565 8.334 -18.524 1.00 3.34 C ATOM 291 CG1 ILE A 23 37.435 7.313 -18.696 1.00 25.13 C ATOM 292 CG2 ILE A 23 39.536 8.230 -19.698 1.00 32.34 C ATOM 293 CD1 ILE A 23 36.600 7.528 -19.943 1.00 44.31 C ATOM 0 H ILE A 23 37.612 8.590 -16.026 1.00 0.22 H new ATOM 0 HA ILE A 23 39.929 7.224 -17.270 1.00 11.25 H new ATOM 0 HB ILE A 23 38.142 9.339 -18.511 1.00 3.34 H new ATOM 0 HG12 ILE A 23 37.864 6.312 -18.726 1.00 25.13 H new ATOM 0 HG13 ILE A 23 36.784 7.355 -17.823 1.00 25.13 H new ATOM 0 HG21 ILE A 23 38.997 8.393 -20.631 1.00 32.34 H new ATOM 0 HG22 ILE A 23 40.316 8.984 -19.593 1.00 32.34 H new ATOM 0 HG23 ILE A 23 39.989 7.239 -19.709 1.00 32.34 H new ATOM 0 HD11 ILE A 23 35.821 6.767 -19.995 1.00 44.31 H new ATOM 0 HD12 ILE A 23 36.140 8.516 -19.907 1.00 44.31 H new ATOM 0 HD13 ILE A 23 37.237 7.456 -20.824 1.00 44.31 H new ATOM 305 N GLN A 24 41.243 9.513 -17.596 1.00 71.43 N ATOM 306 CA GLN A 24 42.186 10.605 -17.368 1.00 11.44 C ATOM 307 C GLN A 24 42.842 11.030 -18.674 1.00 52.41 C ATOM 308 O GLN A 24 43.311 10.190 -19.447 1.00 4.25 O ATOM 309 CB GLN A 24 43.281 10.191 -16.381 1.00 34.22 C ATOM 310 CG GLN A 24 42.826 10.137 -14.934 1.00 45.54 C ATOM 311 CD GLN A 24 43.877 9.551 -14.011 1.00 43.44 C ATOM 312 OE1 GLN A 24 44.691 10.275 -13.437 1.00 20.15 O ATOM 313 NE2 GLN A 24 43.885 8.233 -13.882 1.00 11.15 N ATOM 0 H GLN A 24 41.487 8.916 -18.386 1.00 71.43 H new ATOM 0 HA GLN A 24 41.621 11.439 -16.951 1.00 11.44 H new ATOM 0 HB2 GLN A 24 43.661 9.210 -16.668 1.00 34.22 H new ATOM 0 HB3 GLN A 24 44.112 10.891 -16.463 1.00 34.22 H new ATOM 0 HG2 GLN A 24 42.574 11.143 -14.599 1.00 45.54 H new ATOM 0 HG3 GLN A 24 41.916 9.541 -14.866 1.00 45.54 H new ATOM 0 HE21 GLN A 24 43.193 7.668 -14.375 1.00 11.15 H new ATOM 0 HE22 GLN A 24 44.583 7.783 -13.290 1.00 11.15 H new ATOM 322 N VAL A 25 42.860 12.328 -18.919 1.00 72.33 N ATOM 323 CA VAL A 25 43.583 12.890 -20.050 1.00 2.21 C ATOM 324 C VAL A 25 44.453 14.043 -19.570 1.00 52.41 C ATOM 325 O VAL A 25 44.501 14.328 -18.375 1.00 50.52 O ATOM 326 CB VAL A 25 42.633 13.397 -21.164 1.00 44.32 C ATOM 327 CG1 VAL A 25 41.810 12.255 -21.741 1.00 41.00 C ATOM 328 CG2 VAL A 25 41.727 14.505 -20.644 1.00 73.23 C ATOM 0 H VAL A 25 42.378 13.020 -18.345 1.00 72.33 H new ATOM 0 HA VAL A 25 44.196 12.095 -20.475 1.00 2.21 H new ATOM 0 HB VAL A 25 43.247 13.809 -21.965 1.00 44.32 H new ATOM 0 HG11 VAL A 25 41.152 12.639 -22.521 1.00 41.00 H new ATOM 0 HG12 VAL A 25 42.477 11.504 -22.166 1.00 41.00 H new ATOM 0 HG13 VAL A 25 41.211 11.803 -20.951 1.00 41.00 H new ATOM 0 HG21 VAL A 25 41.070 14.844 -21.445 1.00 73.23 H new ATOM 0 HG22 VAL A 25 41.126 14.126 -19.818 1.00 73.23 H new ATOM 0 HG23 VAL A 25 42.336 15.340 -20.297 1.00 73.23 H new ATOM 338 N LYS A 26 45.137 14.700 -20.484 1.00 74.44 N ATOM 339 CA LYS A 26 45.957 15.848 -20.138 1.00 34.43 C ATOM 340 C LYS A 26 45.807 16.940 -21.175 1.00 4.33 C ATOM 341 O LYS A 26 46.208 16.777 -22.315 1.00 44.10 O ATOM 342 CB LYS A 26 47.420 15.443 -20.022 1.00 54.54 C ATOM 343 CG LYS A 26 47.974 15.614 -18.620 1.00 22.30 C ATOM 344 CD LYS A 26 49.452 15.276 -18.562 1.00 20.41 C ATOM 345 CE LYS A 26 49.731 13.884 -19.102 1.00 55.05 C ATOM 346 NZ LYS A 26 51.144 13.740 -19.533 1.00 31.31 N1+ ATOM 0 H LYS A 26 45.143 14.460 -21.475 1.00 74.44 H new ATOM 0 HA LYS A 26 45.619 16.229 -19.174 1.00 34.43 H new ATOM 0 HB2 LYS A 26 47.528 14.401 -20.325 1.00 54.54 H new ATOM 0 HB3 LYS A 26 48.012 16.039 -20.716 1.00 54.54 H new ATOM 0 HG2 LYS A 26 47.821 16.642 -18.290 1.00 22.30 H new ATOM 0 HG3 LYS A 26 47.426 14.973 -17.930 1.00 22.30 H new ATOM 0 HD2 LYS A 26 50.016 16.010 -19.138 1.00 20.41 H new ATOM 0 HD3 LYS A 26 49.801 15.343 -17.531 1.00 20.41 H new ATOM 0 HE2 LYS A 26 49.507 13.143 -18.335 1.00 55.05 H new ATOM 0 HE3 LYS A 26 49.070 13.680 -19.945 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 51.249 12.869 -20.092 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 51.415 14.559 -20.113 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 51.759 13.690 -18.696 1.00 31.31 H new ATOM 360 N VAL A 27 45.250 18.063 -20.775 1.00 15.45 N ATOM 361 CA VAL A 27 45.048 19.152 -21.679 1.00 72.53 C ATOM 362 C VAL A 27 46.194 20.115 -21.501 1.00 72.32 C ATOM 363 O VAL A 27 46.242 20.862 -20.521 1.00 14.32 O ATOM 364 CB VAL A 27 43.696 19.868 -21.442 1.00 61.10 C ATOM 365 CG1 VAL A 27 43.523 21.022 -22.413 1.00 55.43 C ATOM 366 CG2 VAL A 27 42.539 18.887 -21.567 1.00 73.33 C ATOM 0 H VAL A 27 44.931 18.237 -19.822 1.00 15.45 H new ATOM 0 HA VAL A 27 45.016 18.769 -22.699 1.00 72.53 H new ATOM 0 HB VAL A 27 43.697 20.270 -20.429 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.567 21.512 -22.230 1.00 55.43 H new ATOM 0 HG12 VAL A 27 44.331 21.740 -22.273 1.00 55.43 H new ATOM 0 HG13 VAL A 27 43.547 20.644 -23.435 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.598 19.410 -21.397 1.00 73.33 H new ATOM 0 HG22 VAL A 27 42.537 18.452 -22.567 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.652 18.095 -20.827 1.00 73.33 H new ATOM 376 N ARG A 28 47.148 20.051 -22.408 1.00 64.53 N ATOM 377 CA ARG A 28 48.267 20.949 -22.354 1.00 65.22 C ATOM 378 C ARG A 28 47.775 22.318 -22.696 1.00 63.41 C ATOM 379 O ARG A 28 47.413 22.597 -23.842 1.00 71.22 O ATOM 380 CB ARG A 28 49.371 20.546 -23.324 1.00 24.25 C ATOM 381 CG ARG A 28 50.502 21.562 -23.398 1.00 22.13 C ATOM 382 CD ARG A 28 51.564 21.127 -24.383 1.00 44.34 C ATOM 383 NE ARG A 28 51.250 21.545 -25.745 1.00 65.10 N ATOM 384 CZ ARG A 28 52.133 21.592 -26.737 1.00 45.54 C ATOM 385 NH1 ARG A 28 53.382 21.180 -26.544 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 51.757 22.039 -27.928 1.00 23.30 N ATOM 0 H ARG A 28 47.165 19.389 -23.184 1.00 64.53 H new ATOM 0 HA ARG A 28 48.694 20.920 -21.351 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.777 19.581 -23.022 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.943 20.415 -24.318 1.00 24.25 H new ATOM 0 HG2 ARG A 28 50.104 22.533 -23.694 1.00 22.13 H new ATOM 0 HG3 ARG A 28 50.947 21.687 -22.411 1.00 22.13 H new ATOM 0 HD2 ARG A 28 52.526 21.546 -24.088 1.00 44.34 H new ATOM 0 HD3 ARG A 28 51.666 20.042 -24.351 1.00 44.34 H new ATOM 0 HE ARG A 28 50.289 21.819 -25.949 1.00 65.10 H new ATOM 0 HH11 ARG A 28 53.667 20.826 -25.631 1.00 33.24 H new ATOM 0 HH12 ARG A 28 54.056 21.218 -27.309 1.00 33.24 H new ATOM 0 HH21 ARG A 28 50.795 22.344 -28.078 1.00 23.30 H new ATOM 0 HH22 ARG A 28 52.430 22.078 -28.694 1.00 23.30 H new ATOM 400 N SER A 29 47.694 23.150 -21.689 1.00 62.33 N ATOM 401 CA SER A 29 47.274 24.506 -21.904 1.00 61.53 C ATOM 402 C SER A 29 48.259 25.187 -22.869 1.00 72.53 C ATOM 403 O SER A 29 49.389 24.708 -23.026 1.00 31.23 O ATOM 404 CB SER A 29 47.196 25.255 -20.570 1.00 54.21 C ATOM 405 OG SER A 29 48.441 25.221 -19.891 1.00 31.13 O ATOM 0 H SER A 29 47.912 22.913 -20.721 1.00 62.33 H new ATOM 0 HA SER A 29 46.278 24.520 -22.348 1.00 61.53 H new ATOM 0 HB2 SER A 29 46.903 26.290 -20.747 1.00 54.21 H new ATOM 0 HB3 SER A 29 46.424 24.808 -19.943 1.00 54.21 H new ATOM 0 HG SER A 29 48.649 24.298 -19.635 1.00 31.13 H new ATOM 411 N PRO A 30 47.860 26.299 -23.521 1.00 15.42 N ATOM 412 CA PRO A 30 48.698 26.993 -24.531 1.00 23.11 C ATOM 413 C PRO A 30 49.987 27.608 -23.961 1.00 5.11 C ATOM 414 O PRO A 30 50.482 28.623 -24.460 1.00 72.52 O ATOM 415 CB PRO A 30 47.773 28.100 -25.050 1.00 45.42 C ATOM 416 CG PRO A 30 46.775 28.310 -23.966 1.00 63.25 C ATOM 417 CD PRO A 30 46.555 26.962 -23.350 1.00 61.25 C ATOM 0 HA PRO A 30 49.049 26.295 -25.291 1.00 23.11 H new ATOM 0 HB2 PRO A 30 48.329 29.014 -25.256 1.00 45.42 H new ATOM 0 HB3 PRO A 30 47.288 27.805 -25.981 1.00 45.42 H new ATOM 0 HG2 PRO A 30 47.143 29.022 -23.228 1.00 63.25 H new ATOM 0 HG3 PRO A 30 45.845 28.715 -24.364 1.00 63.25 H new ATOM 0 HD2 PRO A 30 46.277 27.040 -22.299 1.00 61.25 H new ATOM 0 HD3 PRO A 30 45.756 26.415 -23.851 1.00 61.25 H new ATOM 425 N ASP A 31 50.534 26.978 -22.930 1.00 62.14 N ATOM 426 CA ASP A 31 51.759 27.440 -22.292 1.00 43.34 C ATOM 427 C ASP A 31 52.744 26.293 -22.121 1.00 13.04 C ATOM 428 O ASP A 31 53.951 26.500 -22.002 1.00 21.24 O ATOM 429 CB ASP A 31 51.439 28.072 -20.932 1.00 0.44 C ATOM 430 CG ASP A 31 52.681 28.474 -20.161 1.00 63.12 C ATOM 431 OD1 ASP A 31 53.371 29.423 -20.587 1.00 44.23 O ATOM 432 OD2 ASP A 31 52.960 27.854 -19.111 1.00 12.51 O1- ATOM 0 H ASP A 31 50.142 26.134 -22.513 1.00 62.14 H new ATOM 0 HA ASP A 31 52.219 28.192 -22.933 1.00 43.34 H new ATOM 0 HB2 ASP A 31 50.812 28.950 -21.084 1.00 0.44 H new ATOM 0 HB3 ASP A 31 50.860 27.366 -20.336 1.00 0.44 H new ATOM 437 N GLY A 32 52.224 25.076 -22.137 1.00 1.23 N ATOM 438 CA GLY A 32 53.047 23.916 -21.871 1.00 64.22 C ATOM 439 C GLY A 32 52.657 23.254 -20.570 1.00 54.14 C ATOM 440 O GLY A 32 53.034 22.111 -20.306 1.00 43.15 O ATOM 0 H GLY A 32 51.244 24.871 -22.330 1.00 1.23 H new ATOM 0 HA2 GLY A 32 52.949 23.202 -22.689 1.00 64.22 H new ATOM 0 HA3 GLY A 32 54.095 24.212 -21.831 1.00 64.22 H new ATOM 444 N ALA A 33 51.900 23.987 -19.756 1.00 1.31 N ATOM 445 CA ALA A 33 51.369 23.457 -18.510 1.00 44.21 C ATOM 446 C ALA A 33 50.332 22.390 -18.813 1.00 14.20 C ATOM 447 O ALA A 33 49.214 22.690 -19.234 1.00 2.30 O ATOM 448 CB ALA A 33 50.768 24.571 -17.662 1.00 42.23 C ATOM 0 H ALA A 33 51.641 24.956 -19.942 1.00 1.31 H new ATOM 0 HA ALA A 33 52.182 23.008 -17.940 1.00 44.21 H new ATOM 0 HB1 ALA A 33 50.377 24.152 -16.735 1.00 42.23 H new ATOM 0 HB2 ALA A 33 51.537 25.308 -17.431 1.00 42.23 H new ATOM 0 HB3 ALA A 33 49.959 25.051 -18.213 1.00 42.23 H new ATOM 454 N GLU A 34 50.730 21.150 -18.631 1.00 63.03 N ATOM 455 CA GLU A 34 49.896 20.015 -18.970 1.00 51.32 C ATOM 456 C GLU A 34 49.506 19.281 -17.698 1.00 22.55 C ATOM 457 O GLU A 34 50.281 18.486 -17.163 1.00 43.25 O ATOM 458 CB GLU A 34 50.669 19.099 -19.923 1.00 4.31 C ATOM 459 CG GLU A 34 49.863 17.983 -20.556 1.00 43.11 C ATOM 460 CD GLU A 34 50.719 17.141 -21.480 1.00 11.42 C ATOM 461 OE1 GLU A 34 51.084 17.636 -22.567 1.00 70.41 O ATOM 462 OE2 GLU A 34 51.066 15.998 -21.112 1.00 0.35 O1- ATOM 0 H GLU A 34 51.640 20.899 -18.244 1.00 63.03 H new ATOM 0 HA GLU A 34 48.984 20.345 -19.467 1.00 51.32 H new ATOM 0 HB2 GLU A 34 51.097 19.710 -20.718 1.00 4.31 H new ATOM 0 HB3 GLU A 34 51.502 18.657 -19.377 1.00 4.31 H new ATOM 0 HG2 GLU A 34 49.437 17.352 -19.776 1.00 43.11 H new ATOM 0 HG3 GLU A 34 49.029 18.406 -21.115 1.00 43.11 H new ATOM 469 N VAL A 35 48.322 19.586 -17.195 1.00 72.24 N ATOM 470 CA VAL A 35 47.828 18.982 -15.969 1.00 1.04 C ATOM 471 C VAL A 35 46.801 17.920 -16.314 1.00 15.44 C ATOM 472 O VAL A 35 45.940 18.137 -17.172 1.00 34.34 O ATOM 473 CB VAL A 35 47.192 20.032 -15.028 1.00 73.02 C ATOM 474 CG1 VAL A 35 46.744 19.387 -13.717 1.00 43.24 C ATOM 475 CG2 VAL A 35 48.166 21.176 -14.760 1.00 72.21 C ATOM 0 H VAL A 35 47.680 20.254 -17.621 1.00 72.24 H new ATOM 0 HA VAL A 35 48.674 18.536 -15.446 1.00 1.04 H new ATOM 0 HB VAL A 35 46.311 20.441 -15.523 1.00 73.02 H new ATOM 0 HG11 VAL A 35 46.300 20.145 -13.072 1.00 43.24 H new ATOM 0 HG12 VAL A 35 46.007 18.612 -13.926 1.00 43.24 H new ATOM 0 HG13 VAL A 35 47.605 18.944 -13.217 1.00 43.24 H new ATOM 0 HG21 VAL A 35 47.699 21.903 -14.096 1.00 72.21 H new ATOM 0 HG22 VAL A 35 49.068 20.783 -14.291 1.00 72.21 H new ATOM 0 HG23 VAL A 35 48.427 21.659 -15.701 1.00 72.21 H new ATOM 485 N PHE A 36 46.914 16.763 -15.675 1.00 22.41 N ATOM 486 CA PHE A 36 46.007 15.665 -15.949 1.00 15.50 C ATOM 487 C PHE A 36 44.610 16.005 -15.461 1.00 3.00 C ATOM 488 O PHE A 36 44.420 16.448 -14.329 1.00 12.52 O ATOM 489 CB PHE A 36 46.507 14.348 -15.328 1.00 12.44 C ATOM 490 CG PHE A 36 46.561 14.333 -13.822 1.00 61.13 C ATOM 491 CD1 PHE A 36 45.559 13.717 -13.088 1.00 3.24 C ATOM 492 CD2 PHE A 36 47.615 14.925 -13.145 1.00 5.12 C ATOM 493 CE1 PHE A 36 45.607 13.693 -11.707 1.00 63.02 C ATOM 494 CE2 PHE A 36 47.667 14.905 -11.764 1.00 41.31 C ATOM 495 CZ PHE A 36 46.662 14.287 -11.045 1.00 34.21 C ATOM 0 H PHE A 36 47.622 16.565 -14.968 1.00 22.41 H new ATOM 0 HA PHE A 36 45.971 15.517 -17.028 1.00 15.50 H new ATOM 0 HB2 PHE A 36 45.859 13.538 -15.661 1.00 12.44 H new ATOM 0 HB3 PHE A 36 47.504 14.137 -15.714 1.00 12.44 H new ATOM 0 HD1 PHE A 36 44.731 13.250 -13.601 1.00 3.24 H new ATOM 0 HD2 PHE A 36 48.404 15.407 -13.702 1.00 5.12 H new ATOM 0 HE1 PHE A 36 44.820 13.210 -11.147 1.00 63.02 H new ATOM 0 HE2 PHE A 36 48.492 15.372 -11.247 1.00 41.31 H new ATOM 0 HZ PHE A 36 46.702 14.269 -9.966 1.00 34.21 H new ATOM 505 N PHE A 37 43.643 15.808 -16.327 1.00 25.01 N ATOM 506 CA PHE A 37 42.270 16.100 -16.005 1.00 62.04 C ATOM 507 C PHE A 37 41.445 14.873 -16.322 1.00 14.13 C ATOM 508 O PHE A 37 41.545 14.307 -17.409 1.00 31.45 O ATOM 509 CB PHE A 37 41.763 17.322 -16.775 1.00 14.23 C ATOM 510 CG PHE A 37 40.682 18.069 -16.044 1.00 31.32 C ATOM 511 CD1 PHE A 37 39.371 17.627 -16.066 1.00 22.33 C ATOM 512 CD2 PHE A 37 40.986 19.209 -15.318 1.00 54.35 C ATOM 513 CE1 PHE A 37 38.382 18.307 -15.381 1.00 21.44 C ATOM 514 CE2 PHE A 37 40.002 19.894 -14.633 1.00 51.45 C ATOM 515 CZ PHE A 37 38.698 19.442 -14.663 1.00 44.14 C ATOM 0 H PHE A 37 43.787 15.443 -17.268 1.00 25.01 H new ATOM 0 HA PHE A 37 42.183 16.344 -14.946 1.00 62.04 H new ATOM 0 HB2 PHE A 37 42.598 17.996 -16.966 1.00 14.23 H new ATOM 0 HB3 PHE A 37 41.383 17.002 -17.745 1.00 14.23 H new ATOM 0 HD1 PHE A 37 39.117 16.739 -16.626 1.00 22.33 H new ATOM 0 HD2 PHE A 37 42.005 19.566 -15.287 1.00 54.35 H new ATOM 0 HE1 PHE A 37 37.363 17.950 -15.408 1.00 21.44 H new ATOM 0 HE2 PHE A 37 40.253 20.783 -14.074 1.00 51.45 H new ATOM 0 HZ PHE A 37 37.927 19.975 -14.126 1.00 44.14 H new ATOM 525 N LYS A 38 40.636 14.462 -15.379 1.00 43.23 N ATOM 526 CA LYS A 38 40.045 13.147 -15.435 1.00 35.22 C ATOM 527 C LYS A 38 38.579 13.184 -15.823 1.00 51.03 C ATOM 528 O LYS A 38 37.916 14.226 -15.771 1.00 30.24 O ATOM 529 CB LYS A 38 40.230 12.437 -14.094 1.00 15.03 C ATOM 530 CG LYS A 38 39.817 13.263 -12.892 1.00 64.22 C ATOM 531 CD LYS A 38 40.207 12.565 -11.604 1.00 33.25 C ATOM 532 CE LYS A 38 39.955 13.443 -10.394 1.00 40.42 C ATOM 533 NZ LYS A 38 40.500 12.833 -9.158 1.00 40.01 N1+ ATOM 0 H LYS A 38 40.371 15.016 -14.565 1.00 43.23 H new ATOM 0 HA LYS A 38 40.561 12.589 -16.217 1.00 35.22 H new ATOM 0 HB2 LYS A 38 39.652 11.513 -14.102 1.00 15.03 H new ATOM 0 HB3 LYS A 38 41.278 12.157 -13.985 1.00 15.03 H new ATOM 0 HG2 LYS A 38 40.291 14.244 -12.938 1.00 64.22 H new ATOM 0 HG3 LYS A 38 38.740 13.428 -12.910 1.00 64.22 H new ATOM 0 HD2 LYS A 38 39.641 11.639 -11.506 1.00 33.25 H new ATOM 0 HD3 LYS A 38 41.262 12.292 -11.643 1.00 33.25 H new ATOM 0 HE2 LYS A 38 40.412 14.420 -10.551 1.00 40.42 H new ATOM 0 HE3 LYS A 38 38.884 13.607 -10.279 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 40.311 13.459 -8.349 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 40.046 11.911 -8.996 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 41.526 12.700 -9.260 1.00 40.01 H new ATOM 547 N ILE A 39 38.090 12.026 -16.213 1.00 41.44 N ATOM 548 CA ILE A 39 36.704 11.846 -16.560 1.00 3.01 C ATOM 549 C ILE A 39 36.082 10.894 -15.544 1.00 15.21 C ATOM 550 O ILE A 39 36.682 9.875 -15.209 1.00 30.24 O ATOM 551 CB ILE A 39 36.559 11.265 -17.984 1.00 12.45 C ATOM 552 CG1 ILE A 39 37.294 12.147 -18.998 1.00 11.22 C ATOM 553 CG2 ILE A 39 35.092 11.149 -18.365 1.00 43.02 C ATOM 554 CD1 ILE A 39 37.333 11.561 -20.392 1.00 42.02 C ATOM 0 H ILE A 39 38.651 11.179 -16.297 1.00 41.44 H new ATOM 0 HA ILE A 39 36.196 12.810 -16.544 1.00 3.01 H new ATOM 0 HB ILE A 39 37.004 10.270 -17.994 1.00 12.45 H new ATOM 0 HG12 ILE A 39 36.810 13.123 -19.036 1.00 11.22 H new ATOM 0 HG13 ILE A 39 38.315 12.310 -18.653 1.00 11.22 H new ATOM 0 HG21 ILE A 39 35.009 10.738 -19.371 1.00 43.02 H new ATOM 0 HG22 ILE A 39 34.584 10.490 -17.661 1.00 43.02 H new ATOM 0 HG23 ILE A 39 34.630 12.136 -18.337 1.00 43.02 H new ATOM 0 HD11 ILE A 39 37.869 12.239 -21.057 1.00 42.02 H new ATOM 0 HD12 ILE A 39 37.843 10.598 -20.368 1.00 42.02 H new ATOM 0 HD13 ILE A 39 36.315 11.423 -20.757 1.00 42.02 H new ATOM 566 N LYS A 40 34.901 11.213 -15.039 1.00 5.12 N ATOM 567 CA LYS A 40 34.298 10.395 -13.989 1.00 34.14 C ATOM 568 C LYS A 40 33.361 9.364 -14.587 1.00 65.10 C ATOM 569 O LYS A 40 33.719 8.201 -14.761 1.00 60.22 O ATOM 570 CB LYS A 40 33.531 11.264 -12.988 1.00 24.04 C ATOM 571 CG LYS A 40 34.414 12.156 -12.133 1.00 24.31 C ATOM 572 CD LYS A 40 33.588 12.906 -11.101 1.00 53.32 C ATOM 573 CE LYS A 40 34.466 13.641 -10.103 1.00 24.33 C ATOM 574 NZ LYS A 40 33.663 14.279 -9.028 1.00 41.13 N1+ ATOM 0 H LYS A 40 34.346 12.018 -15.330 1.00 5.12 H new ATOM 0 HA LYS A 40 35.105 9.884 -13.464 1.00 34.14 H new ATOM 0 HB2 LYS A 40 32.823 11.888 -13.533 1.00 24.04 H new ATOM 0 HB3 LYS A 40 32.947 10.616 -12.334 1.00 24.04 H new ATOM 0 HG2 LYS A 40 35.170 11.552 -11.631 1.00 24.31 H new ATOM 0 HG3 LYS A 40 34.943 12.867 -12.768 1.00 24.31 H new ATOM 0 HD2 LYS A 40 32.936 13.619 -11.606 1.00 53.32 H new ATOM 0 HD3 LYS A 40 32.944 12.204 -10.571 1.00 53.32 H new ATOM 0 HE2 LYS A 40 35.177 12.943 -9.660 1.00 24.33 H new ATOM 0 HE3 LYS A 40 35.048 14.402 -10.622 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 34.297 14.771 -8.366 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 33.002 14.964 -9.448 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 33.127 13.550 -8.516 1.00 41.13 H new ATOM 588 N ARG A 41 32.159 9.814 -14.881 1.00 61.11 N ATOM 589 CA ARG A 41 31.156 9.009 -15.547 1.00 55.41 C ATOM 590 C ARG A 41 31.111 9.427 -17.006 1.00 11.40 C ATOM 591 O ARG A 41 31.926 10.252 -17.417 1.00 73.11 O ATOM 592 CB ARG A 41 29.799 9.208 -14.870 1.00 22.45 C ATOM 593 CG ARG A 41 29.774 8.706 -13.434 1.00 52.54 C ATOM 594 CD ARG A 41 28.622 9.303 -12.643 1.00 73.40 C ATOM 595 NE ARG A 41 27.315 8.965 -13.201 1.00 54.01 N ATOM 596 CZ ARG A 41 26.215 9.685 -12.985 1.00 61.02 C ATOM 597 NH1 ARG A 41 26.274 10.773 -12.222 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 25.059 9.316 -13.520 1.00 0.21 N ATOM 0 H ARG A 41 31.847 10.760 -14.662 1.00 61.11 H new ATOM 0 HA ARG A 41 31.403 7.949 -15.483 1.00 55.41 H new ATOM 0 HB2 ARG A 41 29.544 10.268 -14.884 1.00 22.45 H new ATOM 0 HB3 ARG A 41 29.032 8.688 -15.445 1.00 22.45 H new ATOM 0 HG2 ARG A 41 29.691 7.619 -13.431 1.00 52.54 H new ATOM 0 HG3 ARG A 41 30.716 8.955 -12.946 1.00 52.54 H new ATOM 0 HD2 ARG A 41 28.674 8.951 -11.613 1.00 73.40 H new ATOM 0 HD3 ARG A 41 28.730 10.387 -12.615 1.00 73.40 H new ATOM 0 HE ARG A 41 27.241 8.134 -13.787 1.00 54.01 H new ATOM 0 HH11 ARG A 41 27.160 11.055 -11.803 1.00 20.44 H new ATOM 0 HH12 ARG A 41 25.433 11.325 -12.056 1.00 20.44 H new ATOM 0 HH21 ARG A 41 25.010 8.478 -14.099 1.00 0.21 H new ATOM 0 HH22 ARG A 41 24.219 9.870 -13.352 1.00 0.21 H new ATOM 612 N LYS A 42 30.200 8.855 -17.789 1.00 54.02 N ATOM 613 CA LYS A 42 30.070 9.231 -19.195 1.00 62.15 C ATOM 614 C LYS A 42 29.893 10.740 -19.316 1.00 3.33 C ATOM 615 O LYS A 42 28.813 11.280 -19.064 1.00 72.44 O ATOM 616 CB LYS A 42 28.892 8.490 -19.848 1.00 51.35 C ATOM 617 CG LYS A 42 28.782 8.658 -21.365 1.00 53.14 C ATOM 618 CD LYS A 42 27.995 9.900 -21.760 1.00 3.24 C ATOM 619 CE LYS A 42 26.537 9.796 -21.344 1.00 73.02 C ATOM 620 NZ LYS A 42 25.776 11.023 -21.689 1.00 32.32 N1+ ATOM 0 H LYS A 42 29.546 8.136 -17.478 1.00 54.02 H new ATOM 0 HA LYS A 42 30.981 8.943 -19.721 1.00 62.15 H new ATOM 0 HB2 LYS A 42 28.980 7.428 -19.621 1.00 51.35 H new ATOM 0 HB3 LYS A 42 27.966 8.838 -19.391 1.00 51.35 H new ATOM 0 HG2 LYS A 42 29.782 8.714 -21.794 1.00 53.14 H new ATOM 0 HG3 LYS A 42 28.302 7.777 -21.791 1.00 53.14 H new ATOM 0 HD2 LYS A 42 28.444 10.778 -21.296 1.00 3.24 H new ATOM 0 HD3 LYS A 42 28.057 10.042 -22.839 1.00 3.24 H new ATOM 0 HE2 LYS A 42 26.080 8.936 -21.833 1.00 73.02 H new ATOM 0 HE3 LYS A 42 26.477 9.621 -20.270 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 24.786 10.913 -21.389 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 26.196 11.840 -21.203 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 25.812 11.176 -22.717 1.00 32.32 H new ATOM 634 N THR A 43 30.983 11.404 -19.665 1.00 11.20 N ATOM 635 CA THR A 43 31.000 12.837 -19.850 1.00 30.45 C ATOM 636 C THR A 43 31.884 13.192 -21.033 1.00 71.22 C ATOM 637 O THR A 43 33.109 13.075 -20.964 1.00 12.31 O ATOM 638 CB THR A 43 31.480 13.583 -18.581 1.00 43.34 C ATOM 639 OG1 THR A 43 32.528 12.850 -17.926 1.00 31.45 O ATOM 640 CG2 THR A 43 30.332 13.809 -17.610 1.00 44.42 C ATOM 0 H THR A 43 31.885 10.956 -19.828 1.00 11.20 H new ATOM 0 HA THR A 43 29.977 13.158 -20.046 1.00 30.45 H new ATOM 0 HB THR A 43 31.866 14.552 -18.897 1.00 43.34 H new ATOM 0 HG1 THR A 43 32.189 11.974 -17.647 1.00 31.45 H new ATOM 0 HG21 THR A 43 30.699 14.335 -16.729 1.00 44.42 H new ATOM 0 HG22 THR A 43 29.559 14.407 -18.093 1.00 44.42 H new ATOM 0 HG23 THR A 43 29.914 12.848 -17.311 1.00 44.42 H new ATOM 648 N LYS A 44 31.230 13.548 -22.130 1.00 62.32 N ATOM 649 CA LYS A 44 31.891 13.996 -23.359 1.00 25.23 C ATOM 650 C LYS A 44 33.104 14.890 -23.102 1.00 4.31 C ATOM 651 O LYS A 44 33.171 15.619 -22.109 1.00 45.53 O ATOM 652 CB LYS A 44 30.889 14.751 -24.228 1.00 50.13 C ATOM 653 CG LYS A 44 30.064 15.764 -23.448 1.00 21.31 C ATOM 654 CD LYS A 44 29.240 16.648 -24.365 1.00 45.42 C ATOM 655 CE LYS A 44 28.366 15.833 -25.302 1.00 25.02 C ATOM 656 NZ LYS A 44 27.646 16.699 -26.268 1.00 21.22 N1+ ATOM 0 H LYS A 44 30.212 13.535 -22.198 1.00 62.32 H new ATOM 0 HA LYS A 44 32.254 13.101 -23.865 1.00 25.23 H new ATOM 0 HB2 LYS A 44 31.425 15.265 -25.026 1.00 50.13 H new ATOM 0 HB3 LYS A 44 30.219 14.035 -24.704 1.00 50.13 H new ATOM 0 HG2 LYS A 44 29.403 15.240 -22.758 1.00 21.31 H new ATOM 0 HG3 LYS A 44 30.727 16.384 -22.845 1.00 21.31 H new ATOM 0 HD2 LYS A 44 28.613 17.308 -23.766 1.00 45.42 H new ATOM 0 HD3 LYS A 44 29.905 17.284 -24.950 1.00 45.42 H new ATOM 0 HE2 LYS A 44 28.983 15.116 -25.844 1.00 25.02 H new ATOM 0 HE3 LYS A 44 27.645 15.258 -24.720 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 27.340 16.130 -27.083 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 26.814 17.117 -25.806 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 28.279 17.457 -26.593 1.00 21.22 H new ATOM 670 N LEU A 45 34.038 14.859 -24.047 1.00 35.14 N ATOM 671 CA LEU A 45 35.286 15.611 -23.934 1.00 14.24 C ATOM 672 C LEU A 45 35.027 17.111 -23.925 1.00 21.03 C ATOM 673 O LEU A 45 35.897 17.895 -23.555 1.00 72.43 O ATOM 674 CB LEU A 45 36.220 15.269 -25.094 1.00 45.14 C ATOM 675 CG LEU A 45 36.613 13.797 -25.207 1.00 62.15 C ATOM 676 CD1 LEU A 45 37.494 13.578 -26.425 1.00 1.23 C ATOM 677 CD2 LEU A 45 37.329 13.339 -23.947 1.00 32.21 C ATOM 0 H LEU A 45 33.954 14.317 -24.907 1.00 35.14 H new ATOM 0 HA LEU A 45 35.755 15.330 -22.991 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.741 15.572 -26.025 1.00 45.14 H new ATOM 0 HB3 LEU A 45 37.128 15.863 -24.994 1.00 45.14 H new ATOM 0 HG LEU A 45 35.705 13.205 -25.323 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.766 12.525 -26.493 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.952 13.871 -27.324 1.00 1.23 H new ATOM 0 HD13 LEU A 45 38.397 14.181 -26.334 1.00 1.23 H new ATOM 0 HD21 LEU A 45 37.602 12.288 -24.045 1.00 32.21 H new ATOM 0 HD22 LEU A 45 38.230 13.936 -23.803 1.00 32.21 H new ATOM 0 HD23 LEU A 45 36.670 13.464 -23.088 1.00 32.21 H new ATOM 689 N GLU A 46 33.825 17.501 -24.329 1.00 23.02 N ATOM 690 CA GLU A 46 33.462 18.908 -24.384 1.00 4.12 C ATOM 691 C GLU A 46 33.497 19.542 -22.994 1.00 12.14 C ATOM 692 O GLU A 46 33.721 20.740 -22.869 1.00 22.14 O ATOM 693 CB GLU A 46 32.081 19.098 -25.015 1.00 14.42 C ATOM 694 CG GLU A 46 31.991 18.600 -26.449 1.00 64.54 C ATOM 695 CD GLU A 46 30.690 18.987 -27.123 1.00 23.41 C ATOM 696 OE1 GLU A 46 29.690 18.268 -26.960 1.00 71.11 O ATOM 697 OE2 GLU A 46 30.662 20.015 -27.823 1.00 72.42 O1- ATOM 0 H GLU A 46 33.086 16.862 -24.623 1.00 23.02 H new ATOM 0 HA GLU A 46 34.200 19.410 -25.010 1.00 4.12 H new ATOM 0 HB2 GLU A 46 31.340 18.575 -24.411 1.00 14.42 H new ATOM 0 HB3 GLU A 46 31.822 20.157 -24.990 1.00 14.42 H new ATOM 0 HG2 GLU A 46 32.826 19.003 -27.022 1.00 64.54 H new ATOM 0 HG3 GLU A 46 32.092 17.515 -26.459 1.00 64.54 H new ATOM 704 N LYS A 47 33.302 18.744 -21.947 1.00 62.41 N ATOM 705 CA LYS A 47 33.371 19.275 -20.590 1.00 33.34 C ATOM 706 C LYS A 47 34.829 19.450 -20.174 1.00 42.22 C ATOM 707 O LYS A 47 35.170 20.410 -19.491 1.00 54.00 O ATOM 708 CB LYS A 47 32.597 18.396 -19.593 1.00 45.33 C ATOM 709 CG LYS A 47 33.224 17.044 -19.289 1.00 32.31 C ATOM 710 CD LYS A 47 34.215 17.118 -18.138 1.00 42.23 C ATOM 711 CE LYS A 47 34.816 15.759 -17.830 1.00 42.04 C ATOM 712 NZ LYS A 47 35.796 15.835 -16.716 1.00 24.31 N1+ ATOM 0 H LYS A 47 33.099 17.746 -22.009 1.00 62.41 H new ATOM 0 HA LYS A 47 32.889 20.253 -20.579 1.00 33.34 H new ATOM 0 HB2 LYS A 47 32.489 18.946 -18.658 1.00 45.33 H new ATOM 0 HB3 LYS A 47 31.593 18.232 -19.984 1.00 45.33 H new ATOM 0 HG2 LYS A 47 32.439 16.328 -19.046 1.00 32.31 H new ATOM 0 HG3 LYS A 47 33.731 16.672 -20.179 1.00 32.31 H new ATOM 0 HD2 LYS A 47 35.011 17.820 -18.387 1.00 42.23 H new ATOM 0 HD3 LYS A 47 33.714 17.505 -17.250 1.00 42.23 H new ATOM 0 HE2 LYS A 47 34.022 15.060 -17.570 1.00 42.04 H new ATOM 0 HE3 LYS A 47 35.306 15.367 -18.721 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 36.401 14.989 -16.728 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 36.386 16.684 -16.830 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 35.288 15.885 -15.810 1.00 24.31 H new ATOM 726 N LEU A 48 35.690 18.528 -20.612 1.00 14.11 N ATOM 727 CA LEU A 48 37.133 18.666 -20.415 1.00 44.42 C ATOM 728 C LEU A 48 37.599 19.952 -21.088 1.00 0.14 C ATOM 729 O LEU A 48 38.550 20.600 -20.656 1.00 70.35 O ATOM 730 CB LEU A 48 37.871 17.468 -21.016 1.00 44.10 C ATOM 731 CG LEU A 48 37.728 16.151 -20.248 1.00 40.42 C ATOM 732 CD1 LEU A 48 38.239 14.997 -21.089 1.00 3.42 C ATOM 733 CD2 LEU A 48 38.488 16.214 -18.935 1.00 0.32 C ATOM 0 H LEU A 48 35.412 17.679 -21.105 1.00 14.11 H new ATOM 0 HA LEU A 48 37.351 18.703 -19.348 1.00 44.42 H new ATOM 0 HB2 LEU A 48 37.511 17.316 -22.034 1.00 44.10 H new ATOM 0 HB3 LEU A 48 38.931 17.714 -21.086 1.00 44.10 H new ATOM 0 HG LEU A 48 36.672 15.991 -20.031 1.00 40.42 H new ATOM 0 HD11 LEU A 48 38.132 14.066 -20.532 1.00 3.42 H new ATOM 0 HD12 LEU A 48 37.662 14.936 -22.012 1.00 3.42 H new ATOM 0 HD13 LEU A 48 39.290 15.158 -21.328 1.00 3.42 H new ATOM 0 HD21 LEU A 48 38.375 15.269 -18.403 1.00 0.32 H new ATOM 0 HD22 LEU A 48 39.544 16.394 -19.134 1.00 0.32 H new ATOM 0 HD23 LEU A 48 38.091 17.024 -18.323 1.00 0.32 H new ATOM 745 N MET A 49 36.878 20.303 -22.142 1.00 43.23 N ATOM 746 CA MET A 49 37.140 21.491 -22.934 1.00 60.12 C ATOM 747 C MET A 49 36.605 22.746 -22.237 1.00 53.42 C ATOM 748 O MET A 49 37.332 23.723 -22.056 1.00 5.35 O ATOM 749 CB MET A 49 36.474 21.305 -24.301 1.00 51.40 C ATOM 750 CG MET A 49 36.716 22.422 -25.297 1.00 63.31 C ATOM 751 SD MET A 49 35.938 22.074 -26.890 1.00 50.54 S ATOM 752 CE MET A 49 36.595 23.394 -27.905 1.00 11.13 C ATOM 0 H MET A 49 36.081 19.760 -22.475 1.00 43.23 H new ATOM 0 HA MET A 49 38.215 21.625 -23.055 1.00 60.12 H new ATOM 0 HB2 MET A 49 36.828 20.370 -24.735 1.00 51.40 H new ATOM 0 HB3 MET A 49 35.399 21.200 -24.152 1.00 51.40 H new ATOM 0 HG2 MET A 49 36.325 23.358 -24.897 1.00 63.31 H new ATOM 0 HG3 MET A 49 37.788 22.559 -25.437 1.00 63.31 H new ATOM 0 HE1 MET A 49 35.773 23.946 -28.361 1.00 11.13 H new ATOM 0 HE2 MET A 49 37.186 24.069 -27.286 1.00 11.13 H new ATOM 0 HE3 MET A 49 37.227 22.972 -28.687 1.00 11.13 H new ATOM 762 N GLU A 50 35.336 22.705 -21.828 1.00 62.40 N ATOM 763 CA GLU A 50 34.677 23.870 -21.245 1.00 61.02 C ATOM 764 C GLU A 50 35.212 24.210 -19.855 1.00 64.22 C ATOM 765 O GLU A 50 35.190 25.375 -19.459 1.00 60.03 O ATOM 766 CB GLU A 50 33.163 23.673 -21.177 1.00 62.50 C ATOM 767 CG GLU A 50 32.499 23.522 -22.536 1.00 60.44 C ATOM 768 CD GLU A 50 30.989 23.486 -22.439 1.00 51.34 C ATOM 769 OE1 GLU A 50 30.414 22.379 -22.333 1.00 24.22 O ATOM 770 OE2 GLU A 50 30.368 24.567 -22.463 1.00 23.12 O1- ATOM 0 H GLU A 50 34.745 21.876 -21.891 1.00 62.40 H new ATOM 0 HA GLU A 50 34.902 24.708 -21.905 1.00 61.02 H new ATOM 0 HB2 GLU A 50 32.948 22.788 -20.579 1.00 62.50 H new ATOM 0 HB3 GLU A 50 32.719 24.523 -20.659 1.00 62.50 H new ATOM 0 HG2 GLU A 50 32.800 24.350 -23.178 1.00 60.44 H new ATOM 0 HG3 GLU A 50 32.852 22.606 -23.010 1.00 60.44 H new ATOM 777 N VAL A 51 35.667 23.211 -19.100 1.00 23.21 N ATOM 778 CA VAL A 51 36.274 23.484 -17.794 1.00 24.13 C ATOM 779 C VAL A 51 37.442 24.473 -17.923 1.00 13.12 C ATOM 780 O VAL A 51 37.611 25.366 -17.087 1.00 53.21 O ATOM 781 CB VAL A 51 36.754 22.191 -17.090 1.00 43.11 C ATOM 782 CG1 VAL A 51 37.592 22.516 -15.864 1.00 70.21 C ATOM 783 CG2 VAL A 51 35.566 21.331 -16.688 1.00 72.35 C ATOM 0 H VAL A 51 35.630 22.225 -19.360 1.00 23.21 H new ATOM 0 HA VAL A 51 35.495 23.932 -17.177 1.00 24.13 H new ATOM 0 HB VAL A 51 37.373 21.637 -17.796 1.00 43.11 H new ATOM 0 HG11 VAL A 51 37.916 21.590 -15.389 1.00 70.21 H new ATOM 0 HG12 VAL A 51 38.466 23.095 -16.163 1.00 70.21 H new ATOM 0 HG13 VAL A 51 36.996 23.096 -15.159 1.00 70.21 H new ATOM 0 HG21 VAL A 51 35.922 20.427 -16.195 1.00 72.35 H new ATOM 0 HG22 VAL A 51 34.927 21.890 -16.004 1.00 72.35 H new ATOM 0 HG23 VAL A 51 34.996 21.059 -17.577 1.00 72.35 H new ATOM 793 N TYR A 52 38.220 24.337 -18.989 1.00 25.31 N ATOM 794 CA TYR A 52 39.367 25.208 -19.200 1.00 60.25 C ATOM 795 C TYR A 52 38.934 26.620 -19.584 1.00 22.34 C ATOM 796 O TYR A 52 39.623 27.586 -19.249 1.00 70.03 O ATOM 797 CB TYR A 52 40.316 24.615 -20.240 1.00 50.21 C ATOM 798 CG TYR A 52 41.309 23.645 -19.640 1.00 54.44 C ATOM 799 CD1 TYR A 52 42.632 24.017 -19.444 1.00 10.40 C ATOM 800 CD2 TYR A 52 40.922 22.370 -19.248 1.00 35.44 C ATOM 801 CE1 TYR A 52 43.543 23.148 -18.872 1.00 44.31 C ATOM 802 CE2 TYR A 52 41.827 21.492 -18.680 1.00 2.44 C ATOM 803 CZ TYR A 52 43.136 21.886 -18.493 1.00 61.10 C ATOM 804 OH TYR A 52 44.037 21.020 -17.915 1.00 70.14 O ATOM 0 H TYR A 52 38.079 23.636 -19.716 1.00 25.31 H new ATOM 0 HA TYR A 52 39.907 25.281 -18.256 1.00 60.25 H new ATOM 0 HB2 TYR A 52 39.734 24.104 -21.007 1.00 50.21 H new ATOM 0 HB3 TYR A 52 40.856 25.422 -20.734 1.00 50.21 H new ATOM 0 HD1 TYR A 52 42.956 25.003 -19.744 1.00 10.40 H new ATOM 0 HD2 TYR A 52 39.897 22.059 -19.389 1.00 35.44 H new ATOM 0 HE1 TYR A 52 44.567 23.456 -18.723 1.00 44.31 H new ATOM 0 HE2 TYR A 52 41.511 20.503 -18.384 1.00 2.44 H new ATOM 0 HH TYR A 52 43.589 20.173 -17.706 1.00 70.14 H new ATOM 814 N CYS A 53 37.789 26.740 -20.261 1.00 62.33 N ATOM 815 CA CYS A 53 37.200 28.047 -20.553 1.00 41.30 C ATOM 816 C CYS A 53 37.090 28.885 -19.276 1.00 4.33 C ATOM 817 O CYS A 53 37.353 30.089 -19.275 1.00 34.34 O ATOM 818 CB CYS A 53 35.808 27.870 -21.165 1.00 62.10 C ATOM 819 SG CYS A 53 35.771 26.855 -22.660 1.00 24.41 S ATOM 0 H CYS A 53 37.253 25.948 -20.616 1.00 62.33 H new ATOM 0 HA CYS A 53 37.847 28.564 -21.262 1.00 41.30 H new ATOM 0 HB2 CYS A 53 35.152 27.421 -20.420 1.00 62.10 H new ATOM 0 HB3 CYS A 53 35.400 28.853 -21.398 1.00 62.10 H new ATOM 0 HG CYS A 53 34.549 26.767 -23.095 1.00 24.41 H new ATOM 825 N ASN A 54 36.721 28.223 -18.188 1.00 31.24 N ATOM 826 CA ASN A 54 36.530 28.887 -16.904 1.00 23.21 C ATOM 827 C ASN A 54 37.868 29.202 -16.243 1.00 50.15 C ATOM 828 O ASN A 54 38.060 30.284 -15.687 1.00 44.41 O ATOM 829 CB ASN A 54 35.695 27.998 -15.976 1.00 60.32 C ATOM 830 CG ASN A 54 35.370 28.666 -14.652 1.00 62.25 C ATOM 831 OD1 ASN A 54 36.120 28.555 -13.679 1.00 53.02 O ATOM 832 ND2 ASN A 54 34.231 29.336 -14.598 1.00 23.34 N ATOM 0 H ASN A 54 36.547 27.218 -18.169 1.00 31.24 H new ATOM 0 HA ASN A 54 36.005 29.825 -17.083 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.766 27.728 -16.479 1.00 60.32 H new ATOM 0 HB3 ASN A 54 36.236 27.071 -15.786 1.00 60.32 H new ATOM 0 HD21 ASN A 54 33.944 29.785 -13.728 1.00 23.34 H new ATOM 0 HD22 ASN A 54 33.639 29.404 -15.426 1.00 23.34 H new ATOM 839 N ARG A 55 38.795 28.258 -16.327 1.00 12.20 N ATOM 840 CA ARG A 55 40.070 28.364 -15.624 1.00 42.42 C ATOM 841 C ARG A 55 40.924 29.531 -16.110 1.00 32.14 C ATOM 842 O ARG A 55 41.396 30.328 -15.302 1.00 34.11 O ATOM 843 CB ARG A 55 40.861 27.059 -15.735 1.00 23.13 C ATOM 844 CG ARG A 55 40.504 26.047 -14.660 1.00 12.33 C ATOM 845 CD ARG A 55 40.743 26.625 -13.272 1.00 14.04 C ATOM 846 NE ARG A 55 40.545 25.637 -12.218 1.00 32.42 N ATOM 847 CZ ARG A 55 40.343 25.942 -10.935 1.00 13.03 C ATOM 848 NH1 ARG A 55 40.235 27.209 -10.551 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 40.227 24.974 -10.037 1.00 31.52 N ATOM 0 H ARG A 55 38.689 27.406 -16.877 1.00 12.20 H new ATOM 0 HA ARG A 55 39.826 28.556 -14.579 1.00 42.42 H new ATOM 0 HB2 ARG A 55 40.682 26.616 -16.715 1.00 23.13 H new ATOM 0 HB3 ARG A 55 41.926 27.282 -15.675 1.00 23.13 H new ATOM 0 HG2 ARG A 55 39.459 25.755 -14.762 1.00 12.33 H new ATOM 0 HG3 ARG A 55 41.101 25.145 -14.791 1.00 12.33 H new ATOM 0 HD2 ARG A 55 41.759 27.016 -13.214 1.00 14.04 H new ATOM 0 HD3 ARG A 55 40.068 27.466 -13.110 1.00 14.04 H new ATOM 0 HE ARG A 55 40.562 24.651 -12.478 1.00 32.42 H new ATOM 0 HH11 ARG A 55 40.306 27.958 -11.239 1.00 74.42 H new ATOM 0 HH12 ARG A 55 40.081 27.433 -9.568 1.00 74.42 H new ATOM 0 HH21 ARG A 55 40.292 23.998 -10.327 1.00 31.52 H new ATOM 0 HH22 ARG A 55 40.073 25.205 -9.056 1.00 31.52 H new ATOM 863 N LEU A 56 41.125 29.640 -17.413 1.00 75.42 N ATOM 864 CA LEU A 56 42.021 30.664 -17.943 1.00 60.21 C ATOM 865 C LEU A 56 41.254 31.893 -18.440 1.00 22.05 C ATOM 866 O LEU A 56 41.834 32.792 -19.050 1.00 73.52 O ATOM 867 CB LEU A 56 42.936 30.079 -19.031 1.00 50.30 C ATOM 868 CG LEU A 56 42.289 29.077 -19.994 1.00 25.35 C ATOM 869 CD1 LEU A 56 41.399 29.780 -21.000 1.00 0.31 C ATOM 870 CD2 LEU A 56 43.355 28.264 -20.710 1.00 31.13 C ATOM 0 H LEU A 56 40.689 29.044 -18.117 1.00 75.42 H new ATOM 0 HA LEU A 56 42.655 31.005 -17.125 1.00 60.21 H new ATOM 0 HB2 LEU A 56 43.342 30.904 -19.617 1.00 50.30 H new ATOM 0 HB3 LEU A 56 43.779 29.590 -18.543 1.00 50.30 H new ATOM 0 HG LEU A 56 41.667 28.402 -19.407 1.00 25.35 H new ATOM 0 HD11 LEU A 56 40.954 29.044 -21.669 1.00 0.31 H new ATOM 0 HD12 LEU A 56 40.609 30.317 -20.474 1.00 0.31 H new ATOM 0 HD13 LEU A 56 41.993 30.486 -21.580 1.00 0.31 H new ATOM 0 HD21 LEU A 56 42.878 27.558 -21.390 1.00 31.13 H new ATOM 0 HD22 LEU A 56 44.003 28.933 -21.277 1.00 31.13 H new ATOM 0 HD23 LEU A 56 43.949 27.718 -19.977 1.00 31.13 H new ATOM 882 N GLY A 57 39.953 31.929 -18.164 1.00 1.41 N ATOM 883 CA GLY A 57 39.151 33.108 -18.464 1.00 43.53 C ATOM 884 C GLY A 57 39.017 33.383 -19.950 1.00 60.04 C ATOM 885 O GLY A 57 38.818 34.527 -20.364 1.00 13.12 O ATOM 0 H GLY A 57 39.436 31.161 -17.736 1.00 1.41 H new ATOM 0 HA2 GLY A 57 38.157 32.981 -18.034 1.00 43.53 H new ATOM 0 HA3 GLY A 57 39.599 33.976 -17.980 1.00 43.53 H new ATOM 889 N GLN A 58 39.108 32.337 -20.748 1.00 5.23 N ATOM 890 CA GLN A 58 38.993 32.455 -22.191 1.00 75.33 C ATOM 891 C GLN A 58 38.253 31.235 -22.717 1.00 45.23 C ATOM 892 O GLN A 58 38.588 30.108 -22.359 1.00 23.22 O ATOM 893 CB GLN A 58 40.386 32.578 -22.818 1.00 11.42 C ATOM 894 CG GLN A 58 40.377 32.847 -24.311 1.00 44.44 C ATOM 895 CD GLN A 58 41.748 33.209 -24.851 1.00 61.21 C ATOM 896 OE1 GLN A 58 42.794 32.678 -24.235 1.00 43.03 O flip ATOM 897 NE2 GLN A 58 41.865 33.969 -25.812 1.00 21.11 N flip ATOM 0 H GLN A 58 39.263 31.385 -20.418 1.00 5.23 H new ATOM 0 HA GLN A 58 38.433 33.352 -22.457 1.00 75.33 H new ATOM 0 HB2 GLN A 58 40.926 33.382 -22.319 1.00 11.42 H new ATOM 0 HB3 GLN A 58 40.939 31.658 -22.630 1.00 11.42 H new ATOM 0 HG2 GLN A 58 40.008 31.964 -24.833 1.00 44.44 H new ATOM 0 HG3 GLN A 58 39.681 33.658 -24.525 1.00 44.44 H new ATOM 0 HE21 GLN A 58 41.035 34.357 -26.259 1.00 21.11 H new ATOM 0 HE22 GLN A 58 42.792 34.211 -26.161 1.00 21.11 H new ATOM 906 N SER A 59 37.247 31.449 -23.545 1.00 14.32 N ATOM 907 CA SER A 59 36.359 30.366 -23.918 1.00 21.14 C ATOM 908 C SER A 59 36.837 29.601 -25.157 1.00 30.15 C ATOM 909 O SER A 59 37.798 29.991 -25.824 1.00 21.13 O ATOM 910 CB SER A 59 34.934 30.888 -24.082 1.00 31.20 C ATOM 911 OG SER A 59 34.905 32.104 -24.809 1.00 0.21 O ATOM 0 H SER A 59 37.027 32.351 -23.967 1.00 14.32 H new ATOM 0 HA SER A 59 36.370 29.639 -23.106 1.00 21.14 H new ATOM 0 HB2 SER A 59 34.329 30.141 -24.596 1.00 31.20 H new ATOM 0 HB3 SER A 59 34.486 31.040 -23.100 1.00 31.20 H new ATOM 0 HG SER A 59 35.323 31.971 -25.686 1.00 0.21 H new ATOM 917 N MET A 60 36.118 28.528 -25.464 1.00 4.23 N ATOM 918 CA MET A 60 36.587 27.477 -26.363 1.00 54.32 C ATOM 919 C MET A 60 36.684 27.882 -27.841 1.00 62.24 C ATOM 920 O MET A 60 37.300 27.168 -28.629 1.00 52.30 O ATOM 921 CB MET A 60 35.723 26.217 -26.194 1.00 53.34 C ATOM 922 CG MET A 60 34.217 26.453 -26.209 1.00 74.42 C ATOM 923 SD MET A 60 33.599 27.056 -27.788 1.00 3.20 S ATOM 924 CE MET A 60 31.838 27.093 -27.457 1.00 21.54 C ATOM 0 H MET A 60 35.183 28.360 -25.093 1.00 4.23 H new ATOM 0 HA MET A 60 37.615 27.272 -26.066 1.00 54.32 H new ATOM 0 HB2 MET A 60 35.972 25.516 -26.991 1.00 53.34 H new ATOM 0 HB3 MET A 60 35.990 25.737 -25.252 1.00 53.34 H new ATOM 0 HG2 MET A 60 33.709 25.521 -25.961 1.00 74.42 H new ATOM 0 HG3 MET A 60 33.962 27.172 -25.430 1.00 74.42 H new ATOM 0 HE1 MET A 60 31.309 27.447 -28.342 1.00 21.54 H new ATOM 0 HE2 MET A 60 31.494 26.090 -27.205 1.00 21.54 H new ATOM 0 HE3 MET A 60 31.639 27.765 -26.622 1.00 21.54 H new ATOM 934 N GLU A 61 36.079 28.992 -28.250 1.00 23.42 N ATOM 935 CA GLU A 61 36.218 29.413 -29.643 1.00 74.42 C ATOM 936 C GLU A 61 37.484 30.252 -29.805 1.00 75.51 C ATOM 937 O GLU A 61 37.942 30.500 -30.920 1.00 20.42 O ATOM 938 CB GLU A 61 34.980 30.166 -30.165 1.00 42.44 C ATOM 939 CG GLU A 61 34.764 31.549 -29.570 1.00 61.05 C ATOM 940 CD GLU A 61 34.300 31.504 -28.135 1.00 11.12 C ATOM 941 OE1 GLU A 61 33.074 31.540 -27.898 1.00 22.14 O ATOM 942 OE2 GLU A 61 35.157 31.431 -27.237 1.00 34.12 O1- ATOM 0 H GLU A 61 35.507 29.599 -27.663 1.00 23.42 H new ATOM 0 HA GLU A 61 36.302 28.513 -30.252 1.00 74.42 H new ATOM 0 HB2 GLU A 61 35.063 30.263 -31.247 1.00 42.44 H new ATOM 0 HB3 GLU A 61 34.096 29.560 -29.966 1.00 42.44 H new ATOM 0 HG2 GLU A 61 35.695 32.114 -29.628 1.00 61.05 H new ATOM 0 HG3 GLU A 61 34.028 32.086 -30.168 1.00 61.05 H new ATOM 949 N ALA A 62 38.050 30.657 -28.671 1.00 52.12 N ATOM 950 CA ALA A 62 39.300 31.397 -28.639 1.00 65.21 C ATOM 951 C ALA A 62 40.454 30.470 -28.266 1.00 34.10 C ATOM 952 O ALA A 62 41.619 30.864 -28.309 1.00 64.00 O ATOM 953 CB ALA A 62 39.209 32.551 -27.659 1.00 61.24 C ATOM 0 H ALA A 62 37.651 30.479 -27.749 1.00 52.12 H new ATOM 0 HA ALA A 62 39.488 31.804 -29.633 1.00 65.21 H new ATOM 0 HB1 ALA A 62 40.154 33.094 -27.648 1.00 61.24 H new ATOM 0 HB2 ALA A 62 38.407 33.224 -27.963 1.00 61.24 H new ATOM 0 HB3 ALA A 62 39.001 32.165 -26.661 1.00 61.24 H new ATOM 959 N VAL A 63 40.114 29.241 -27.892 1.00 73.13 N ATOM 960 CA VAL A 63 41.104 28.196 -27.650 1.00 24.42 C ATOM 961 C VAL A 63 40.619 26.866 -28.224 1.00 55.34 C ATOM 962 O VAL A 63 39.729 26.222 -27.674 1.00 73.14 O ATOM 963 CB VAL A 63 41.450 28.030 -26.144 1.00 61.35 C ATOM 964 CG1 VAL A 63 42.343 29.167 -25.666 1.00 71.21 C ATOM 965 CG2 VAL A 63 40.193 27.961 -25.285 1.00 55.25 C ATOM 0 H VAL A 63 39.150 28.942 -27.748 1.00 73.13 H new ATOM 0 HA VAL A 63 42.019 28.505 -28.156 1.00 24.42 H new ATOM 0 HB VAL A 63 41.987 27.088 -26.037 1.00 61.35 H new ATOM 0 HG11 VAL A 63 42.572 29.030 -24.609 1.00 71.21 H new ATOM 0 HG12 VAL A 63 43.269 29.169 -26.241 1.00 71.21 H new ATOM 0 HG13 VAL A 63 41.828 30.117 -25.805 1.00 71.21 H new ATOM 0 HG21 VAL A 63 40.474 27.845 -24.238 1.00 55.25 H new ATOM 0 HG22 VAL A 63 39.618 28.879 -25.407 1.00 55.25 H new ATOM 0 HG23 VAL A 63 39.587 27.110 -25.595 1.00 55.25 H new ATOM 975 N ARG A 64 41.188 26.472 -29.353 1.00 62.12 N ATOM 976 CA ARG A 64 40.779 25.243 -30.013 1.00 22.32 C ATOM 977 C ARG A 64 41.574 24.070 -29.470 1.00 10.41 C ATOM 978 O ARG A 64 42.802 24.088 -29.478 1.00 51.14 O ATOM 979 CB ARG A 64 40.975 25.334 -31.524 1.00 54.44 C ATOM 980 CG ARG A 64 40.391 24.152 -32.281 1.00 13.01 C ATOM 981 CD ARG A 64 40.788 24.180 -33.744 1.00 42.55 C ATOM 982 NE ARG A 64 42.224 23.970 -33.922 1.00 31.25 N ATOM 983 CZ ARG A 64 42.929 24.457 -34.942 1.00 15.00 C ATOM 984 NH1 ARG A 64 42.345 25.219 -35.857 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 44.228 24.195 -35.040 1.00 70.22 N ATOM 0 H ARG A 64 41.931 26.983 -29.829 1.00 62.12 H new ATOM 0 HA ARG A 64 39.718 25.093 -29.811 1.00 22.32 H new ATOM 0 HB2 ARG A 64 40.514 26.252 -31.888 1.00 54.44 H new ATOM 0 HB3 ARG A 64 42.041 25.404 -31.741 1.00 54.44 H new ATOM 0 HG2 ARG A 64 40.734 23.222 -31.827 1.00 13.01 H new ATOM 0 HG3 ARG A 64 39.304 24.166 -32.197 1.00 13.01 H new ATOM 0 HD2 ARG A 64 40.238 23.409 -34.284 1.00 42.55 H new ATOM 0 HD3 ARG A 64 40.504 25.138 -34.179 1.00 42.55 H new ATOM 0 HE ARG A 64 42.717 23.416 -33.221 1.00 31.25 H new ATOM 0 HH11 ARG A 64 41.351 25.435 -35.782 1.00 3.51 H new ATOM 0 HH12 ARG A 64 42.890 25.589 -36.636 1.00 3.51 H new ATOM 0 HH21 ARG A 64 44.687 23.620 -34.333 1.00 70.22 H new ATOM 0 HH22 ARG A 64 44.766 24.569 -35.822 1.00 70.22 H new ATOM 999 N PHE A 65 40.872 23.052 -29.014 1.00 1.01 N ATOM 1000 CA PHE A 65 41.509 21.901 -28.404 1.00 71.14 C ATOM 1001 C PHE A 65 41.772 20.802 -29.431 1.00 51.04 C ATOM 1002 O PHE A 65 40.861 20.345 -30.124 1.00 10.13 O ATOM 1003 CB PHE A 65 40.645 21.376 -27.257 1.00 12.02 C ATOM 1004 CG PHE A 65 40.554 22.325 -26.089 1.00 4.35 C ATOM 1005 CD1 PHE A 65 39.746 23.448 -26.148 1.00 23.21 C ATOM 1006 CD2 PHE A 65 41.277 22.090 -24.931 1.00 74.42 C ATOM 1007 CE1 PHE A 65 39.661 24.319 -25.076 1.00 40.23 C ATOM 1008 CE2 PHE A 65 41.196 22.960 -23.857 1.00 32.51 C ATOM 1009 CZ PHE A 65 40.387 24.074 -23.930 1.00 22.21 C ATOM 0 H PHE A 65 39.854 22.998 -29.055 1.00 1.01 H new ATOM 0 HA PHE A 65 42.474 22.213 -28.006 1.00 71.14 H new ATOM 0 HB2 PHE A 65 39.641 21.176 -27.631 1.00 12.02 H new ATOM 0 HB3 PHE A 65 41.052 20.426 -26.912 1.00 12.02 H new ATOM 0 HD1 PHE A 65 39.175 23.647 -27.043 1.00 23.21 H new ATOM 0 HD2 PHE A 65 41.911 21.218 -24.865 1.00 74.42 H new ATOM 0 HE1 PHE A 65 39.026 25.190 -25.137 1.00 40.23 H new ATOM 0 HE2 PHE A 65 41.767 22.766 -22.961 1.00 32.51 H new ATOM 0 HZ PHE A 65 40.322 24.752 -23.092 1.00 22.21 H new ATOM 1019 N LEU A 66 43.033 20.414 -29.546 1.00 3.44 N ATOM 1020 CA LEU A 66 43.439 19.323 -30.420 1.00 54.44 C ATOM 1021 C LEU A 66 43.794 18.103 -29.590 1.00 3.34 C ATOM 1022 O LEU A 66 44.787 18.125 -28.862 1.00 63.15 O ATOM 1023 CB LEU A 66 44.661 19.717 -31.263 1.00 43.35 C ATOM 1024 CG LEU A 66 44.435 20.792 -32.331 1.00 33.23 C ATOM 1025 CD1 LEU A 66 44.340 22.179 -31.713 1.00 0.12 C ATOM 1026 CD2 LEU A 66 45.547 20.752 -33.365 1.00 53.02 C ATOM 0 H LEU A 66 43.804 20.846 -29.036 1.00 3.44 H new ATOM 0 HA LEU A 66 42.605 19.098 -31.085 1.00 54.44 H new ATOM 0 HB2 LEU A 66 45.443 20.065 -30.588 1.00 43.35 H new ATOM 0 HB3 LEU A 66 45.040 18.821 -31.755 1.00 43.35 H new ATOM 0 HG LEU A 66 43.486 20.579 -32.822 1.00 33.23 H new ATOM 0 HD11 LEU A 66 44.180 22.917 -32.499 1.00 0.12 H new ATOM 0 HD12 LEU A 66 43.506 22.209 -31.012 1.00 0.12 H new ATOM 0 HD13 LEU A 66 45.266 22.406 -31.185 1.00 0.12 H new ATOM 0 HD21 LEU A 66 45.372 21.521 -34.117 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.505 20.933 -32.877 1.00 53.02 H new ATOM 0 HD23 LEU A 66 45.563 19.773 -33.844 1.00 53.02 H new ATOM 1038 N TYR A 67 43.017 17.036 -29.695 1.00 31.41 N ATOM 1039 CA TYR A 67 43.325 15.839 -28.930 1.00 20.11 C ATOM 1040 C TYR A 67 43.741 14.699 -29.841 1.00 74.01 C ATOM 1041 O TYR A 67 43.265 14.587 -30.970 1.00 2.22 O ATOM 1042 CB TYR A 67 42.187 15.433 -27.982 1.00 43.11 C ATOM 1043 CG TYR A 67 40.888 15.006 -28.631 1.00 44.31 C ATOM 1044 CD1 TYR A 67 39.861 15.917 -28.836 1.00 53.11 C ATOM 1045 CD2 TYR A 67 40.675 13.681 -28.994 1.00 43.34 C ATOM 1046 CE1 TYR A 67 38.656 15.519 -29.387 1.00 20.14 C ATOM 1047 CE2 TYR A 67 39.478 13.278 -29.553 1.00 70.41 C ATOM 1048 CZ TYR A 67 38.471 14.199 -29.745 1.00 13.14 C ATOM 1049 OH TYR A 67 37.274 13.798 -30.297 1.00 73.41 O ATOM 0 H TYR A 67 42.189 16.973 -30.287 1.00 31.41 H new ATOM 0 HA TYR A 67 44.175 16.080 -28.292 1.00 20.11 H new ATOM 0 HB2 TYR A 67 42.541 14.614 -27.355 1.00 43.11 H new ATOM 0 HB3 TYR A 67 41.978 16.274 -27.320 1.00 43.11 H new ATOM 0 HD1 TYR A 67 40.005 16.952 -28.561 1.00 53.11 H new ATOM 0 HD2 TYR A 67 41.459 12.955 -28.836 1.00 43.34 H new ATOM 0 HE1 TYR A 67 37.864 16.238 -29.536 1.00 20.14 H new ATOM 0 HE2 TYR A 67 39.332 12.247 -29.838 1.00 70.41 H new ATOM 0 HH TYR A 67 37.309 12.838 -30.493 1.00 73.41 H new ATOM 1059 N ASP A 68 44.666 13.878 -29.342 1.00 41.34 N ATOM 1060 CA ASP A 68 45.385 12.899 -30.165 1.00 70.30 C ATOM 1061 C ASP A 68 46.152 13.637 -31.263 1.00 63.40 C ATOM 1062 O ASP A 68 46.523 13.074 -32.292 1.00 15.11 O ATOM 1063 CB ASP A 68 44.411 11.867 -30.757 1.00 75.51 C ATOM 1064 CG ASP A 68 45.114 10.713 -31.453 1.00 2.14 C ATOM 1065 OD1 ASP A 68 44.951 10.560 -32.682 1.00 32.21 O ATOM 1066 OD2 ASP A 68 45.836 9.952 -30.776 1.00 31.41 O1- ATOM 0 H ASP A 68 44.939 13.871 -28.359 1.00 41.34 H new ATOM 0 HA ASP A 68 46.096 12.352 -29.546 1.00 70.30 H new ATOM 0 HB2 ASP A 68 43.781 11.473 -29.960 1.00 75.51 H new ATOM 0 HB3 ASP A 68 43.752 12.365 -31.468 1.00 75.51 H new ATOM 1071 N GLY A 69 46.415 14.913 -31.003 1.00 73.33 N ATOM 1072 CA GLY A 69 47.075 15.758 -31.975 1.00 31.22 C ATOM 1073 C GLY A 69 46.122 16.244 -33.051 1.00 61.52 C ATOM 1074 O GLY A 69 46.524 16.959 -33.967 1.00 60.14 O ATOM 0 H GLY A 69 46.179 15.379 -30.127 1.00 73.33 H new ATOM 0 HA2 GLY A 69 47.516 16.616 -31.468 1.00 31.22 H new ATOM 0 HA3 GLY A 69 47.893 15.206 -32.438 1.00 31.22 H new ATOM 1078 N ASP A 70 44.847 15.877 -32.927 1.00 53.11 N ATOM 1079 CA ASP A 70 43.865 16.182 -33.957 1.00 72.13 C ATOM 1080 C ASP A 70 42.706 17.001 -33.394 1.00 44.24 C ATOM 1081 O ASP A 70 41.997 16.562 -32.492 1.00 64.30 O ATOM 1082 CB ASP A 70 43.328 14.886 -34.562 1.00 12.43 C ATOM 1083 CG ASP A 70 42.840 15.061 -35.986 1.00 51.11 C ATOM 1084 OD1 ASP A 70 43.310 14.316 -36.870 1.00 0.21 O ATOM 1085 OD2 ASP A 70 42.012 15.959 -36.239 1.00 51.24 O1- ATOM 0 H ASP A 70 44.474 15.370 -32.124 1.00 53.11 H new ATOM 0 HA ASP A 70 44.359 16.773 -34.728 1.00 72.13 H new ATOM 0 HB2 ASP A 70 44.112 14.129 -34.542 1.00 12.43 H new ATOM 0 HB3 ASP A 70 42.510 14.514 -33.945 1.00 12.43 H new ATOM 1090 N ARG A 71 42.545 18.207 -33.908 1.00 22.42 N ATOM 1091 CA ARG A 71 41.402 19.044 -33.557 1.00 4.53 C ATOM 1092 C ARG A 71 40.094 18.441 -34.077 1.00 73.24 C ATOM 1093 O ARG A 71 39.909 18.259 -35.282 1.00 53.50 O ATOM 1094 CB ARG A 71 41.570 20.484 -34.074 1.00 35.54 C ATOM 1095 CG ARG A 71 41.527 20.664 -35.593 1.00 31.51 C ATOM 1096 CD ARG A 71 42.833 20.278 -36.272 1.00 31.40 C ATOM 1097 NE ARG A 71 42.844 18.894 -36.747 1.00 41.13 N ATOM 1098 CZ ARG A 71 43.635 18.457 -37.734 1.00 30.34 C ATOM 1099 NH1 ARG A 71 44.470 19.292 -38.344 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 43.596 17.186 -38.106 1.00 61.14 N ATOM 0 H ARG A 71 43.191 18.633 -34.572 1.00 22.42 H new ATOM 0 HA ARG A 71 41.357 19.082 -32.469 1.00 4.53 H new ATOM 0 HB2 ARG A 71 40.786 21.100 -33.633 1.00 35.54 H new ATOM 0 HB3 ARG A 71 42.522 20.870 -33.710 1.00 35.54 H new ATOM 0 HG2 ARG A 71 40.718 20.060 -36.003 1.00 31.51 H new ATOM 0 HG3 ARG A 71 41.297 21.704 -35.824 1.00 31.51 H new ATOM 0 HD2 ARG A 71 43.009 20.947 -37.114 1.00 31.40 H new ATOM 0 HD3 ARG A 71 43.656 20.423 -35.572 1.00 31.40 H new ATOM 0 HE ARG A 71 42.215 18.226 -36.302 1.00 41.13 H new ATOM 0 HH11 ARG A 71 44.510 20.271 -38.060 1.00 31.45 H new ATOM 0 HH12 ARG A 71 45.071 18.954 -39.096 1.00 31.45 H new ATOM 0 HH21 ARG A 71 42.962 16.537 -37.640 1.00 61.14 H new ATOM 0 HH22 ARG A 71 44.200 16.856 -38.859 1.00 61.14 H new ATOM 1114 N ILE A 72 39.193 18.135 -33.160 1.00 75.30 N ATOM 1115 CA ILE A 72 37.903 17.557 -33.505 1.00 23.12 C ATOM 1116 C ILE A 72 36.931 17.747 -32.336 1.00 21.23 C ATOM 1117 O ILE A 72 37.361 17.971 -31.206 1.00 74.34 O ATOM 1118 CB ILE A 72 38.049 16.059 -33.897 1.00 62.51 C ATOM 1119 CG1 ILE A 72 36.685 15.405 -34.144 1.00 50.23 C ATOM 1120 CG2 ILE A 72 38.830 15.295 -32.843 1.00 14.53 C ATOM 1121 CD1 ILE A 72 36.770 13.952 -34.561 1.00 62.02 C ATOM 0 H ILE A 72 39.332 18.279 -32.160 1.00 75.30 H new ATOM 0 HA ILE A 72 37.500 18.072 -34.377 1.00 23.12 H new ATOM 0 HB ILE A 72 38.608 16.019 -34.832 1.00 62.51 H new ATOM 0 HG12 ILE A 72 36.088 15.478 -33.235 1.00 50.23 H new ATOM 0 HG13 ILE A 72 36.159 15.965 -34.917 1.00 50.23 H new ATOM 0 HG21 ILE A 72 38.918 14.250 -33.141 1.00 14.53 H new ATOM 0 HG22 ILE A 72 39.825 15.728 -32.742 1.00 14.53 H new ATOM 0 HG23 ILE A 72 38.309 15.357 -31.888 1.00 14.53 H new ATOM 0 HD11 ILE A 72 35.765 13.559 -34.717 1.00 62.02 H new ATOM 0 HD12 ILE A 72 37.339 13.872 -35.487 1.00 62.02 H new ATOM 0 HD13 ILE A 72 37.267 13.378 -33.779 1.00 62.02 H new ATOM 1133 N HIS A 73 35.631 17.705 -32.620 1.00 53.04 N ATOM 1134 CA HIS A 73 34.609 17.994 -31.614 1.00 43.03 C ATOM 1135 C HIS A 73 34.520 16.889 -30.557 1.00 24.44 C ATOM 1136 O HIS A 73 34.480 15.702 -30.880 1.00 15.32 O ATOM 1137 CB HIS A 73 33.253 18.216 -32.290 1.00 55.44 C ATOM 1138 CG HIS A 73 33.204 19.470 -33.112 1.00 52.52 C ATOM 1139 ND1 HIS A 73 33.100 19.473 -34.488 1.00 23.24 N ATOM 1140 CD2 HIS A 73 33.245 20.773 -32.742 1.00 42.44 C ATOM 1141 CE1 HIS A 73 33.084 20.720 -34.925 1.00 61.52 C ATOM 1142 NE2 HIS A 73 33.170 21.523 -33.885 1.00 53.34 N ATOM 0 H HIS A 73 35.259 17.473 -33.541 1.00 53.04 H new ATOM 0 HA HIS A 73 34.898 18.908 -31.095 1.00 43.03 H new ATOM 0 HB2 HIS A 73 33.027 17.361 -32.928 1.00 55.44 H new ATOM 0 HB3 HIS A 73 32.476 18.258 -31.527 1.00 55.44 H new ATOM 0 HD2 HIS A 73 33.322 21.150 -31.733 1.00 42.44 H new ATOM 0 HE1 HIS A 73 33.013 21.028 -35.958 1.00 61.52 H new ATOM 0 HE2 HIS A 73 33.179 22.542 -33.925 1.00 53.34 H new ATOM 1151 N GLY A 74 34.438 17.306 -29.294 1.00 2.32 N ATOM 1152 CA GLY A 74 34.549 16.383 -28.175 1.00 30.33 C ATOM 1153 C GLY A 74 33.291 15.576 -27.899 1.00 45.23 C ATOM 1154 O GLY A 74 33.284 14.731 -27.000 1.00 50.31 O ATOM 0 H GLY A 74 34.295 18.279 -29.024 1.00 2.32 H new ATOM 0 HA2 GLY A 74 35.372 15.695 -28.368 1.00 30.33 H new ATOM 0 HA3 GLY A 74 34.808 16.947 -27.279 1.00 30.33 H new ATOM 1158 N ASP A 75 32.229 15.828 -28.657 1.00 32.14 N ATOM 1159 CA ASP A 75 30.957 15.133 -28.449 1.00 72.23 C ATOM 1160 C ASP A 75 31.078 13.646 -28.766 1.00 10.20 C ATOM 1161 O ASP A 75 30.452 12.808 -28.116 1.00 3.33 O ATOM 1162 CB ASP A 75 29.858 15.752 -29.317 1.00 71.41 C ATOM 1163 CG ASP A 75 28.578 14.932 -29.315 1.00 34.44 C ATOM 1164 OD1 ASP A 75 27.785 15.046 -28.354 1.00 15.34 O ATOM 1165 OD2 ASP A 75 28.363 14.167 -30.278 1.00 4.31 O1- ATOM 0 H ASP A 75 32.220 16.506 -29.419 1.00 32.14 H new ATOM 0 HA ASP A 75 30.693 15.243 -27.397 1.00 72.23 H new ATOM 0 HB2 ASP A 75 29.641 16.758 -28.958 1.00 71.41 H new ATOM 0 HB3 ASP A 75 30.221 15.850 -30.340 1.00 71.41 H new ATOM 1170 N ASN A 76 31.916 13.317 -29.742 1.00 64.25 N ATOM 1171 CA ASN A 76 32.020 11.943 -30.230 1.00 64.43 C ATOM 1172 C ASN A 76 32.886 11.089 -29.301 1.00 13.52 C ATOM 1173 O ASN A 76 33.088 9.904 -29.555 1.00 71.25 O ATOM 1174 CB ASN A 76 32.588 11.934 -31.654 1.00 33.10 C ATOM 1175 CG ASN A 76 32.327 10.628 -32.388 1.00 40.10 C ATOM 1176 OD1 ASN A 76 31.203 9.988 -32.093 1.00 32.24 O flip ATOM 1177 ND2 ASN A 76 33.118 10.207 -33.231 1.00 30.14 N flip ATOM 0 H ASN A 76 32.533 13.980 -30.212 1.00 64.25 H new ATOM 0 HA ASN A 76 31.020 11.509 -30.244 1.00 64.43 H new ATOM 0 HB2 ASN A 76 32.150 12.756 -32.220 1.00 33.10 H new ATOM 0 HB3 ASN A 76 33.662 12.113 -31.612 1.00 33.10 H new ATOM 0 HD21 ASN A 76 33.973 10.726 -33.432 1.00 30.14 H new ATOM 0 HD22 ASN A 76 32.919 9.339 -33.729 1.00 30.14 H new ATOM 1184 N THR A 77 33.380 11.710 -28.222 1.00 21.44 N ATOM 1185 CA THR A 77 34.193 11.050 -27.183 1.00 65.40 C ATOM 1186 C THR A 77 35.492 10.440 -27.739 1.00 53.35 C ATOM 1187 O THR A 77 35.654 10.280 -28.947 1.00 42.51 O ATOM 1188 CB THR A 77 33.391 9.981 -26.384 1.00 70.12 C ATOM 1189 OG1 THR A 77 32.902 8.938 -27.236 1.00 4.33 O ATOM 1190 CG2 THR A 77 32.224 10.627 -25.650 1.00 65.33 C ATOM 0 H THR A 77 33.225 12.702 -28.040 1.00 21.44 H new ATOM 0 HA THR A 77 34.471 11.845 -26.492 1.00 65.40 H new ATOM 0 HB THR A 77 34.076 9.538 -25.661 1.00 70.12 H new ATOM 0 HG1 THR A 77 33.286 9.040 -28.132 1.00 4.33 H new ATOM 0 HG21 THR A 77 31.675 9.865 -25.097 1.00 65.33 H new ATOM 0 HG22 THR A 77 32.602 11.378 -24.956 1.00 65.33 H new ATOM 0 HG23 THR A 77 31.559 11.102 -26.371 1.00 65.33 H new ATOM 1198 N PRO A 78 36.459 10.112 -26.860 1.00 63.14 N ATOM 1199 CA PRO A 78 37.738 9.541 -27.286 1.00 44.41 C ATOM 1200 C PRO A 78 37.612 8.070 -27.666 1.00 73.22 C ATOM 1201 O PRO A 78 38.302 7.590 -28.565 1.00 62.52 O ATOM 1202 CB PRO A 78 38.626 9.710 -26.052 1.00 13.24 C ATOM 1203 CG PRO A 78 37.684 9.678 -24.901 1.00 24.53 C ATOM 1204 CD PRO A 78 36.394 10.281 -25.392 1.00 62.11 C ATOM 0 HA PRO A 78 38.133 10.029 -28.177 1.00 44.41 H new ATOM 0 HB2 PRO A 78 39.363 8.910 -25.982 1.00 13.24 H new ATOM 0 HB3 PRO A 78 39.177 10.650 -26.087 1.00 13.24 H new ATOM 0 HG2 PRO A 78 37.528 8.656 -24.555 1.00 24.53 H new ATOM 0 HG3 PRO A 78 38.081 10.243 -24.058 1.00 24.53 H new ATOM 0 HD2 PRO A 78 35.528 9.771 -24.969 1.00 62.11 H new ATOM 0 HD3 PRO A 78 36.313 11.332 -25.114 1.00 62.11 H new ATOM 1212 N GLU A 79 36.692 7.375 -26.997 1.00 53.55 N ATOM 1213 CA GLU A 79 36.494 5.943 -27.194 1.00 13.34 C ATOM 1214 C GLU A 79 36.200 5.634 -28.660 1.00 42.02 C ATOM 1215 O GLU A 79 36.633 4.612 -29.191 1.00 71.44 O ATOM 1216 CB GLU A 79 35.352 5.459 -26.285 1.00 73.21 C ATOM 1217 CG GLU A 79 35.117 3.954 -26.296 1.00 74.52 C ATOM 1218 CD GLU A 79 34.011 3.532 -27.245 1.00 5.43 C ATOM 1219 OE1 GLU A 79 34.317 3.095 -28.369 1.00 63.15 O ATOM 1220 OE2 GLU A 79 32.826 3.634 -26.859 1.00 62.13 O1- ATOM 0 H GLU A 79 36.066 7.789 -26.306 1.00 53.55 H new ATOM 0 HA GLU A 79 37.408 5.412 -26.927 1.00 13.34 H new ATOM 0 HB2 GLU A 79 35.564 5.771 -25.262 1.00 73.21 H new ATOM 0 HB3 GLU A 79 34.431 5.958 -26.586 1.00 73.21 H new ATOM 0 HG2 GLU A 79 36.041 3.450 -26.578 1.00 74.52 H new ATOM 0 HG3 GLU A 79 34.868 3.624 -25.288 1.00 74.52 H new ATOM 1227 N GLN A 80 35.502 6.546 -29.320 1.00 45.33 N ATOM 1228 CA GLN A 80 35.125 6.354 -30.712 1.00 74.25 C ATOM 1229 C GLN A 80 36.311 6.610 -31.643 1.00 73.11 C ATOM 1230 O GLN A 80 36.320 6.161 -32.791 1.00 61.03 O ATOM 1231 CB GLN A 80 33.972 7.286 -31.076 1.00 42.54 C ATOM 1232 CG GLN A 80 33.313 6.953 -32.405 1.00 40.33 C ATOM 1233 CD GLN A 80 32.581 5.625 -32.368 1.00 61.53 C ATOM 1234 OE1 GLN A 80 32.051 5.226 -31.332 1.00 12.31 O ATOM 1235 NE2 GLN A 80 32.561 4.926 -33.492 1.00 14.43 N ATOM 0 H GLN A 80 35.185 7.426 -28.914 1.00 45.33 H new ATOM 0 HA GLN A 80 34.807 5.319 -30.837 1.00 74.25 H new ATOM 0 HB2 GLN A 80 33.221 7.245 -30.288 1.00 42.54 H new ATOM 0 HB3 GLN A 80 34.342 8.311 -31.111 1.00 42.54 H new ATOM 0 HG2 GLN A 80 32.612 7.745 -32.669 1.00 40.33 H new ATOM 0 HG3 GLN A 80 34.072 6.926 -33.187 1.00 40.33 H new ATOM 0 HE21 GLN A 80 33.013 5.294 -34.329 1.00 14.43 H new ATOM 0 HE22 GLN A 80 32.094 4.020 -33.521 1.00 14.43 H new ATOM 1244 N LEU A 81 37.320 7.313 -31.145 1.00 2.24 N ATOM 1245 CA LEU A 81 38.435 7.717 -31.992 1.00 73.11 C ATOM 1246 C LEU A 81 39.577 6.712 -31.917 1.00 31.23 C ATOM 1247 O LEU A 81 40.303 6.517 -32.890 1.00 13.32 O ATOM 1248 CB LEU A 81 38.941 9.110 -31.594 1.00 12.23 C ATOM 1249 CG LEU A 81 40.048 9.677 -32.492 1.00 34.10 C ATOM 1250 CD1 LEU A 81 39.539 9.869 -33.913 1.00 12.24 C ATOM 1251 CD2 LEU A 81 40.576 10.990 -31.933 1.00 63.31 C ATOM 0 H LEU A 81 37.390 7.612 -30.172 1.00 2.24 H new ATOM 0 HA LEU A 81 38.072 7.751 -33.019 1.00 73.11 H new ATOM 0 HB2 LEU A 81 38.099 9.802 -31.600 1.00 12.23 H new ATOM 0 HB3 LEU A 81 39.311 9.067 -30.570 1.00 12.23 H new ATOM 0 HG LEU A 81 40.869 8.960 -32.514 1.00 34.10 H new ATOM 0 HD11 LEU A 81 40.339 10.272 -34.535 1.00 12.24 H new ATOM 0 HD12 LEU A 81 39.214 8.910 -34.316 1.00 12.24 H new ATOM 0 HD13 LEU A 81 38.699 10.563 -33.908 1.00 12.24 H new ATOM 0 HD21 LEU A 81 41.360 11.374 -32.586 1.00 63.31 H new ATOM 0 HD22 LEU A 81 39.763 11.714 -31.877 1.00 63.31 H new ATOM 0 HD23 LEU A 81 40.983 10.823 -30.936 1.00 63.31 H new ATOM 1263 N GLY A 82 39.731 6.062 -30.772 1.00 62.20 N ATOM 1264 CA GLY A 82 40.784 5.082 -30.621 1.00 2.54 C ATOM 1265 C GLY A 82 41.827 5.558 -29.646 1.00 50.45 C ATOM 1266 O GLY A 82 42.603 4.766 -29.110 1.00 62.11 O ATOM 0 H GLY A 82 39.146 6.196 -29.947 1.00 62.20 H new ATOM 0 HA2 GLY A 82 40.361 4.139 -30.275 1.00 2.54 H new ATOM 0 HA3 GLY A 82 41.247 4.888 -31.589 1.00 2.54 H new ATOM 1270 N ILE A 83 41.844 6.861 -29.410 1.00 21.12 N ATOM 1271 CA ILE A 83 42.645 7.412 -28.341 1.00 62.23 C ATOM 1272 C ILE A 83 41.828 7.339 -27.060 1.00 53.32 C ATOM 1273 O ILE A 83 40.603 7.421 -27.099 1.00 34.30 O ATOM 1274 CB ILE A 83 43.089 8.869 -28.616 1.00 12.34 C ATOM 1275 CG1 ILE A 83 44.121 9.299 -27.572 1.00 11.32 C ATOM 1276 CG2 ILE A 83 41.897 9.817 -28.619 1.00 63.43 C ATOM 1277 CD1 ILE A 83 45.461 8.614 -27.731 1.00 21.45 C ATOM 0 H ILE A 83 41.313 7.549 -29.944 1.00 21.12 H new ATOM 0 HA ILE A 83 43.562 6.829 -28.255 1.00 62.23 H new ATOM 0 HB ILE A 83 43.544 8.913 -29.605 1.00 12.34 H new ATOM 0 HG12 ILE A 83 44.263 10.378 -27.636 1.00 11.32 H new ATOM 0 HG13 ILE A 83 43.729 9.088 -26.577 1.00 11.32 H new ATOM 0 HG21 ILE A 83 42.240 10.833 -28.815 1.00 63.43 H new ATOM 0 HG22 ILE A 83 41.194 9.516 -29.396 1.00 63.43 H new ATOM 0 HG23 ILE A 83 41.402 9.782 -27.649 1.00 63.43 H new ATOM 0 HD11 ILE A 83 46.144 8.966 -26.958 1.00 21.45 H new ATOM 0 HD12 ILE A 83 45.332 7.536 -27.637 1.00 21.45 H new ATOM 0 HD13 ILE A 83 45.874 8.846 -28.713 1.00 21.45 H new ATOM 1289 N GLU A 84 42.485 7.159 -25.939 1.00 64.03 N ATOM 1290 CA GLU A 84 41.783 6.873 -24.711 1.00 52.21 C ATOM 1291 C GLU A 84 42.599 7.401 -23.531 1.00 4.41 C ATOM 1292 O GLU A 84 43.330 8.381 -23.688 1.00 32.15 O ATOM 1293 CB GLU A 84 41.554 5.361 -24.648 1.00 52.31 C ATOM 1294 CG GLU A 84 40.478 4.917 -23.679 1.00 42.14 C ATOM 1295 CD GLU A 84 40.466 3.415 -23.504 1.00 24.00 C ATOM 1296 OE1 GLU A 84 41.260 2.902 -22.691 1.00 30.13 O ATOM 1297 OE2 GLU A 84 39.675 2.738 -24.194 1.00 13.42 O1- ATOM 0 H GLU A 84 43.500 7.205 -25.852 1.00 64.03 H new ATOM 0 HA GLU A 84 40.813 7.368 -24.669 1.00 52.21 H new ATOM 0 HB2 GLU A 84 41.293 5.006 -25.645 1.00 52.31 H new ATOM 0 HB3 GLU A 84 42.492 4.878 -24.373 1.00 52.31 H new ATOM 0 HG2 GLU A 84 40.640 5.394 -22.713 1.00 42.14 H new ATOM 0 HG3 GLU A 84 39.504 5.249 -24.040 1.00 42.14 H new ATOM 1304 N ASP A 85 42.455 6.788 -22.357 1.00 34.14 N ATOM 1305 CA ASP A 85 43.206 7.202 -21.168 1.00 62.20 C ATOM 1306 C ASP A 85 44.686 7.384 -21.496 1.00 24.11 C ATOM 1307 O ASP A 85 45.376 6.429 -21.851 1.00 63.13 O ATOM 1308 CB ASP A 85 43.048 6.169 -20.048 1.00 41.01 C ATOM 1309 CG ASP A 85 43.830 6.537 -18.801 1.00 33.33 C ATOM 1310 OD1 ASP A 85 43.234 7.114 -17.872 1.00 0.20 O ATOM 1311 OD2 ASP A 85 45.048 6.251 -18.744 1.00 54.52 O1- ATOM 0 H ASP A 85 41.825 6.001 -22.202 1.00 34.14 H new ATOM 0 HA ASP A 85 42.802 8.157 -20.832 1.00 62.20 H new ATOM 0 HB2 ASP A 85 41.992 6.071 -19.795 1.00 41.01 H new ATOM 0 HB3 ASP A 85 43.381 5.195 -20.407 1.00 41.01 H new ATOM 1316 N GLY A 86 45.157 8.617 -21.392 1.00 32.23 N ATOM 1317 CA GLY A 86 46.534 8.920 -21.726 1.00 42.34 C ATOM 1318 C GLY A 86 46.624 9.899 -22.875 1.00 60.32 C ATOM 1319 O GLY A 86 47.712 10.208 -23.364 1.00 42.55 O ATOM 0 H GLY A 86 44.607 9.418 -21.081 1.00 32.23 H new ATOM 0 HA2 GLY A 86 47.038 9.335 -20.853 1.00 42.34 H new ATOM 0 HA3 GLY A 86 47.056 8.000 -21.989 1.00 42.34 H new ATOM 1323 N ASP A 87 45.468 10.366 -23.317 1.00 21.12 N ATOM 1324 CA ASP A 87 45.387 11.349 -24.387 1.00 23.23 C ATOM 1325 C ASP A 87 45.752 12.736 -23.883 1.00 62.04 C ATOM 1326 O ASP A 87 45.423 13.105 -22.755 1.00 50.43 O ATOM 1327 CB ASP A 87 43.976 11.377 -24.973 1.00 41.43 C ATOM 1328 CG ASP A 87 43.782 12.508 -25.960 1.00 70.52 C ATOM 1329 OD1 ASP A 87 44.532 12.561 -26.961 1.00 13.22 O ATOM 1330 OD2 ASP A 87 42.886 13.342 -25.739 1.00 3.13 O1- ATOM 0 H ASP A 87 44.563 10.077 -22.947 1.00 21.12 H new ATOM 0 HA ASP A 87 46.098 11.060 -25.161 1.00 23.23 H new ATOM 0 HB2 ASP A 87 43.773 10.428 -25.468 1.00 41.43 H new ATOM 0 HB3 ASP A 87 43.252 11.476 -24.164 1.00 41.43 H new ATOM 1335 N VAL A 88 46.449 13.494 -24.711 1.00 40.21 N ATOM 1336 CA VAL A 88 46.745 14.873 -24.393 1.00 30.05 C ATOM 1337 C VAL A 88 46.039 15.794 -25.382 1.00 62.31 C ATOM 1338 O VAL A 88 45.941 15.499 -26.577 1.00 44.01 O ATOM 1339 CB VAL A 88 48.260 15.174 -24.367 1.00 1.54 C ATOM 1340 CG1 VAL A 88 48.981 14.236 -23.407 1.00 21.12 C ATOM 1341 CG2 VAL A 88 48.862 15.094 -25.757 1.00 55.10 C ATOM 0 H VAL A 88 46.819 13.175 -25.607 1.00 40.21 H new ATOM 0 HA VAL A 88 46.374 15.056 -23.384 1.00 30.05 H new ATOM 0 HB VAL A 88 48.391 16.195 -24.009 1.00 1.54 H new ATOM 0 HG11 VAL A 88 50.046 14.466 -23.405 1.00 21.12 H new ATOM 0 HG12 VAL A 88 48.580 14.365 -22.402 1.00 21.12 H new ATOM 0 HG13 VAL A 88 48.833 13.204 -23.727 1.00 21.12 H new ATOM 0 HG21 VAL A 88 49.929 15.311 -25.704 1.00 55.10 H new ATOM 0 HG22 VAL A 88 48.715 14.092 -26.160 1.00 55.10 H new ATOM 0 HG23 VAL A 88 48.375 15.822 -26.407 1.00 55.10 H new ATOM 1351 N ILE A 89 45.542 16.902 -24.870 1.00 14.43 N ATOM 1352 CA ILE A 89 44.747 17.826 -25.656 1.00 51.25 C ATOM 1353 C ILE A 89 45.406 19.195 -25.656 1.00 71.31 C ATOM 1354 O ILE A 89 45.556 19.811 -24.610 1.00 41.13 O ATOM 1355 CB ILE A 89 43.316 17.952 -25.089 1.00 64.41 C ATOM 1356 CG1 ILE A 89 42.718 16.566 -24.822 1.00 0.23 C ATOM 1357 CG2 ILE A 89 42.438 18.735 -26.051 1.00 64.41 C ATOM 1358 CD1 ILE A 89 41.314 16.601 -24.254 1.00 62.23 C ATOM 0 H ILE A 89 45.677 17.187 -23.900 1.00 14.43 H new ATOM 0 HA ILE A 89 44.685 17.439 -26.673 1.00 51.25 H new ATOM 0 HB ILE A 89 43.363 18.491 -24.143 1.00 64.41 H new ATOM 0 HG12 ILE A 89 42.708 16.000 -25.753 1.00 0.23 H new ATOM 0 HG13 ILE A 89 43.366 16.029 -24.129 1.00 0.23 H new ATOM 0 HG21 ILE A 89 41.432 18.817 -25.640 1.00 64.41 H new ATOM 0 HG22 ILE A 89 42.854 19.732 -26.194 1.00 64.41 H new ATOM 0 HG23 ILE A 89 42.398 18.218 -27.010 1.00 64.41 H new ATOM 0 HD11 ILE A 89 40.961 15.582 -24.093 1.00 62.23 H new ATOM 0 HD12 ILE A 89 41.319 17.138 -23.305 1.00 62.23 H new ATOM 0 HD13 ILE A 89 40.651 17.108 -24.955 1.00 62.23 H new ATOM 1370 N ASP A 90 45.804 19.659 -26.823 1.00 34.30 N ATOM 1371 CA ASP A 90 46.530 20.918 -26.924 1.00 21.13 C ATOM 1372 C ASP A 90 45.602 22.047 -27.335 1.00 54.30 C ATOM 1373 O ASP A 90 44.871 21.931 -28.318 1.00 1.13 O ATOM 1374 CB ASP A 90 47.659 20.781 -27.935 1.00 33.21 C ATOM 1375 CG ASP A 90 48.615 21.955 -27.905 1.00 41.43 C ATOM 1376 OD1 ASP A 90 49.001 22.442 -28.988 1.00 53.43 O ATOM 1377 OD2 ASP A 90 49.004 22.378 -26.799 1.00 21.31 O1- ATOM 0 H ASP A 90 45.640 19.189 -27.713 1.00 34.30 H new ATOM 0 HA ASP A 90 46.946 21.156 -25.945 1.00 21.13 H new ATOM 0 HB2 ASP A 90 48.211 19.863 -27.735 1.00 33.21 H new ATOM 0 HB3 ASP A 90 47.236 20.687 -28.935 1.00 33.21 H new ATOM 1382 N ALA A 91 45.617 23.130 -26.573 1.00 30.14 N ATOM 1383 CA ALA A 91 44.773 24.276 -26.875 1.00 22.54 C ATOM 1384 C ALA A 91 45.529 25.321 -27.694 1.00 62.41 C ATOM 1385 O ALA A 91 46.524 25.885 -27.243 1.00 34.40 O ATOM 1386 CB ALA A 91 44.240 24.890 -25.587 1.00 33.33 C ATOM 0 H ALA A 91 46.202 23.239 -25.744 1.00 30.14 H new ATOM 0 HA ALA A 91 43.932 23.929 -27.475 1.00 22.54 H new ATOM 0 HB1 ALA A 91 43.610 25.747 -25.826 1.00 33.33 H new ATOM 0 HB2 ALA A 91 43.653 24.148 -25.046 1.00 33.33 H new ATOM 0 HB3 ALA A 91 45.075 25.216 -24.966 1.00 33.33 H new ATOM 1392 N MET A 92 45.040 25.576 -28.900 1.00 14.35 N ATOM 1393 CA MET A 92 45.626 26.583 -29.777 1.00 13.21 C ATOM 1394 C MET A 92 44.750 27.829 -29.824 1.00 25.02 C ATOM 1395 O MET A 92 43.608 27.809 -29.368 1.00 71.52 O ATOM 1396 CB MET A 92 45.814 26.016 -31.185 1.00 64.53 C ATOM 1397 CG MET A 92 47.067 25.168 -31.341 1.00 30.25 C ATOM 1398 SD MET A 92 48.580 26.149 -31.252 1.00 45.45 S ATOM 1399 CE MET A 92 48.363 27.235 -32.662 1.00 51.31 C ATOM 0 H MET A 92 44.232 25.095 -29.297 1.00 14.35 H new ATOM 0 HA MET A 92 46.601 26.861 -29.377 1.00 13.21 H new ATOM 0 HB2 MET A 92 44.944 25.413 -31.443 1.00 64.53 H new ATOM 0 HB3 MET A 92 45.853 26.841 -31.897 1.00 64.53 H new ATOM 0 HG2 MET A 92 47.085 24.406 -30.562 1.00 30.25 H new ATOM 0 HG3 MET A 92 47.032 24.646 -32.297 1.00 30.25 H new ATOM 0 HE1 MET A 92 49.338 27.573 -33.014 1.00 51.31 H new ATOM 0 HE2 MET A 92 47.855 26.696 -33.462 1.00 51.31 H new ATOM 0 HE3 MET A 92 47.764 28.097 -32.368 1.00 51.31 H new ATOM 1409 N VAL A 93 45.287 28.907 -30.386 1.00 70.32 N ATOM 1410 CA VAL A 93 44.580 30.182 -30.434 1.00 3.20 C ATOM 1411 C VAL A 93 43.394 30.125 -31.395 1.00 75.10 C ATOM 1412 O VAL A 93 43.567 30.064 -32.613 1.00 71.31 O ATOM 1413 CB VAL A 93 45.513 31.340 -30.850 1.00 52.22 C ATOM 1414 CG1 VAL A 93 44.775 32.669 -30.773 1.00 3.43 C ATOM 1415 CG2 VAL A 93 46.761 31.367 -29.975 1.00 10.04 C ATOM 0 H VAL A 93 46.212 28.923 -30.816 1.00 70.32 H new ATOM 0 HA VAL A 93 44.215 30.370 -29.424 1.00 3.20 H new ATOM 0 HB VAL A 93 45.825 31.177 -31.882 1.00 52.22 H new ATOM 0 HG11 VAL A 93 45.446 33.475 -31.069 1.00 3.43 H new ATOM 0 HG12 VAL A 93 43.916 32.647 -31.443 1.00 3.43 H new ATOM 0 HG13 VAL A 93 44.434 32.837 -29.751 1.00 3.43 H new ATOM 0 HG21 VAL A 93 47.405 32.190 -30.285 1.00 10.04 H new ATOM 0 HG22 VAL A 93 46.472 31.505 -28.933 1.00 10.04 H new ATOM 0 HG23 VAL A 93 47.300 30.425 -30.081 1.00 10.04 H new ATOM 1425 N GLN A 94 42.198 30.138 -30.816 1.00 13.31 N ATOM 1426 CA GLN A 94 40.936 30.160 -31.555 1.00 14.42 C ATOM 1427 C GLN A 94 40.730 28.923 -32.428 1.00 61.22 C ATOM 1428 O GLN A 94 41.630 28.108 -32.622 1.00 71.22 O ATOM 1429 CB GLN A 94 40.810 31.429 -32.401 1.00 11.34 C ATOM 1430 CG GLN A 94 40.549 32.691 -31.590 1.00 20.20 C ATOM 1431 CD GLN A 94 40.317 33.914 -32.458 1.00 32.33 C ATOM 1432 OE1 GLN A 94 40.865 34.030 -33.554 1.00 74.30 O ATOM 1433 NE2 GLN A 94 39.485 34.827 -31.980 1.00 24.31 N ATOM 0 H GLN A 94 42.074 30.134 -29.804 1.00 13.31 H new ATOM 0 HA GLN A 94 40.149 30.154 -30.801 1.00 14.42 H new ATOM 0 HB2 GLN A 94 41.726 31.562 -32.976 1.00 11.34 H new ATOM 0 HB3 GLN A 94 40.000 31.296 -33.118 1.00 11.34 H new ATOM 0 HG2 GLN A 94 39.679 32.534 -30.953 1.00 20.20 H new ATOM 0 HG3 GLN A 94 41.397 32.875 -30.931 1.00 20.20 H new ATOM 0 HE21 GLN A 94 39.051 34.693 -31.067 1.00 24.31 H new ATOM 0 HE22 GLN A 94 39.278 35.664 -32.525 1.00 24.31 H new