USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 LYS NZ :NH3+ 160:sc= 0.845 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= -0.261 K(o=0.58,f=-2.7) USER MOD Set 2.1: A 60 CYS SG : rot -19:sc= -0.971 USER MOD Set 2.2: A 66 SER OG : rot -76:sc= 0.016 USER MOD Single : A 22 MET CE :methyl -128:sc= -0.561 (180deg=-1.42) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -92:sc= 1.16 USER MOD Single : A 34 THR OG1 : rot 94:sc= 0.473 USER MOD Single : A 36 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.23) USER MOD Single : A 44 TYR OH : rot -130:sc= -0.716 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.119 K(o=0.12,f=-0.74) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.48) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0931 USER MOD Single : A 63 CYS SG : rot -58:sc= -2.84 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.05 USER MOD Single : A 75 GLN : amide:sc= -1.66 K(o=-1.7,f=0.091) USER MOD Single : A 76 ASN : amide:sc=-0.00484 X(o=-0.0048,f=-0.23) USER MOD Single : A 77 MET CE :methyl 159:sc= -0.0904 (180deg=-0.712) USER MOD Single : A 79 GLN : amide:sc= -0.666 K(o=-0.67,f=-2.2!) USER MOD Single : A 81 TYR OH : rot 165:sc= -0.12 USER MOD Single : A 90 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.431 14.837 7.004 1.00 32.14 N ATOM 242 CA ASP A 17 3.781 13.820 7.858 1.00 64.21 C ATOM 243 C ASP A 17 2.265 13.761 7.601 1.00 23.10 C ATOM 244 O ASP A 17 1.608 12.785 7.971 1.00 34.24 O ATOM 245 CB ASP A 17 4.080 14.099 9.366 1.00 13.44 C ATOM 246 CG ASP A 17 3.351 15.330 9.952 1.00 25.23 C ATOM 247 OD1 ASP A 17 3.880 16.448 9.842 1.00 14.33 O ATOM 248 OD2 ASP A 17 2.247 15.173 10.532 1.00 31.11 O ATOM 0 HA ASP A 17 4.197 12.847 7.599 1.00 64.21 H new ATOM 0 HB2 ASP A 17 3.802 13.219 9.946 1.00 13.44 H new ATOM 0 HB3 ASP A 17 5.154 14.237 9.490 1.00 13.44 H new ATOM 253 N GLY A 18 1.718 14.827 6.981 1.00 74.21 N ATOM 254 CA GLY A 18 0.307 14.863 6.585 1.00 2.25 C ATOM 255 C GLY A 18 0.021 13.922 5.421 1.00 63.53 C ATOM 256 O GLY A 18 -1.069 13.329 5.340 1.00 0.31 O ATOM 0 H GLY A 18 2.238 15.672 6.746 1.00 74.21 H new ATOM 0 HA2 GLY A 18 -0.316 14.588 7.436 1.00 2.25 H new ATOM 0 HA3 GLY A 18 0.034 15.880 6.305 1.00 2.25 H new ATOM 260 N VAL A 19 1.013 13.792 4.511 1.00 15.34 N ATOM 261 CA VAL A 19 0.969 12.819 3.407 1.00 21.12 C ATOM 262 C VAL A 19 0.984 11.389 3.977 1.00 32.31 C ATOM 263 O VAL A 19 0.176 10.549 3.592 1.00 71.33 O ATOM 264 CB VAL A 19 2.175 12.993 2.420 1.00 33.01 C ATOM 265 CG1 VAL A 19 2.063 12.015 1.235 1.00 62.24 C ATOM 266 CG2 VAL A 19 2.287 14.447 1.922 1.00 72.05 C ATOM 0 H VAL A 19 1.861 14.358 4.525 1.00 15.34 H new ATOM 0 HA VAL A 19 0.050 12.997 2.849 1.00 21.12 H new ATOM 0 HB VAL A 19 3.087 12.759 2.969 1.00 33.01 H new ATOM 0 HG11 VAL A 19 2.911 12.156 0.565 1.00 62.24 H new ATOM 0 HG12 VAL A 19 2.061 10.991 1.608 1.00 62.24 H new ATOM 0 HG13 VAL A 19 1.137 12.205 0.692 1.00 62.24 H new ATOM 0 HG21 VAL A 19 3.133 14.534 1.240 1.00 72.05 H new ATOM 0 HG22 VAL A 19 1.371 14.725 1.401 1.00 72.05 H new ATOM 0 HG23 VAL A 19 2.437 15.112 2.772 1.00 72.05 H new ATOM 276 N VAL A 20 1.916 11.162 4.918 1.00 34.52 N ATOM 277 CA VAL A 20 2.046 9.902 5.671 1.00 71.50 C ATOM 278 C VAL A 20 0.697 9.513 6.313 1.00 54.10 C ATOM 279 O VAL A 20 0.244 8.372 6.169 1.00 2.44 O ATOM 280 CB VAL A 20 3.164 10.051 6.775 1.00 13.04 C ATOM 281 CG1 VAL A 20 3.210 8.840 7.733 1.00 15.41 C ATOM 282 CG2 VAL A 20 4.551 10.305 6.121 1.00 2.43 C ATOM 0 H VAL A 20 2.612 11.860 5.181 1.00 34.52 H new ATOM 0 HA VAL A 20 2.335 9.108 4.983 1.00 71.50 H new ATOM 0 HB VAL A 20 2.905 10.919 7.382 1.00 13.04 H new ATOM 0 HG11 VAL A 20 3.995 8.991 8.473 1.00 15.41 H new ATOM 0 HG12 VAL A 20 2.249 8.739 8.238 1.00 15.41 H new ATOM 0 HG13 VAL A 20 3.418 7.934 7.164 1.00 15.41 H new ATOM 0 HG21 VAL A 20 5.307 10.405 6.899 1.00 2.43 H new ATOM 0 HG22 VAL A 20 4.806 9.467 5.472 1.00 2.43 H new ATOM 0 HG23 VAL A 20 4.513 11.221 5.532 1.00 2.43 H new ATOM 292 N ALA A 21 0.057 10.510 6.957 1.00 0.22 N ATOM 293 CA ALA A 21 -1.230 10.354 7.651 1.00 43.10 C ATOM 294 C ALA A 21 -2.348 9.890 6.693 1.00 51.31 C ATOM 295 O ALA A 21 -3.104 8.968 7.026 1.00 14.32 O ATOM 296 CB ALA A 21 -1.619 11.672 8.344 1.00 12.31 C ATOM 0 H ALA A 21 0.428 11.459 7.008 1.00 0.22 H new ATOM 0 HA ALA A 21 -1.110 9.576 8.405 1.00 43.10 H new ATOM 0 HB1 ALA A 21 -2.573 11.546 8.855 1.00 12.31 H new ATOM 0 HB2 ALA A 21 -0.852 11.942 9.069 1.00 12.31 H new ATOM 0 HB3 ALA A 21 -1.708 12.462 7.599 1.00 12.31 H new ATOM 302 N MET A 22 -2.446 10.516 5.497 1.00 51.44 N ATOM 303 CA MET A 22 -3.511 10.171 4.527 1.00 60.30 C ATOM 304 C MET A 22 -3.238 8.816 3.844 1.00 34.32 C ATOM 305 O MET A 22 -4.182 8.134 3.466 1.00 61.14 O ATOM 306 CB MET A 22 -3.750 11.288 3.471 1.00 12.24 C ATOM 307 CG MET A 22 -2.636 11.494 2.439 1.00 21.34 C ATOM 308 SD MET A 22 -3.085 12.689 1.158 1.00 3.25 S ATOM 309 CE MET A 22 -4.529 11.928 0.405 1.00 65.14 C ATOM 0 H MET A 22 -1.812 11.251 5.184 1.00 51.44 H new ATOM 0 HA MET A 22 -4.431 10.082 5.105 1.00 60.30 H new ATOM 0 HB2 MET A 22 -4.674 11.063 2.938 1.00 12.24 H new ATOM 0 HB3 MET A 22 -3.907 12.229 3.998 1.00 12.24 H new ATOM 0 HG2 MET A 22 -1.734 11.834 2.947 1.00 21.34 H new ATOM 0 HG3 MET A 22 -2.398 10.539 1.972 1.00 21.34 H new ATOM 0 HE1 MET A 22 -4.391 11.876 -0.675 1.00 65.14 H new ATOM 0 HE2 MET A 22 -4.659 10.922 0.803 1.00 65.14 H new ATOM 0 HE3 MET A 22 -5.413 12.524 0.629 1.00 65.14 H new ATOM 319 N ILE A 23 -1.945 8.421 3.706 1.00 44.34 N ATOM 320 CA ILE A 23 -1.572 7.081 3.187 1.00 34.33 C ATOM 321 C ILE A 23 -2.091 6.005 4.157 1.00 2.11 C ATOM 322 O ILE A 23 -2.671 5.010 3.719 1.00 35.23 O ATOM 323 CB ILE A 23 -0.010 6.896 2.976 1.00 33.13 C ATOM 324 CG1 ILE A 23 0.542 7.913 1.928 1.00 73.34 C ATOM 325 CG2 ILE A 23 0.330 5.444 2.542 1.00 1.11 C ATOM 326 CD1 ILE A 23 2.055 7.897 1.727 1.00 22.41 C ATOM 0 H ILE A 23 -1.148 9.010 3.946 1.00 44.34 H new ATOM 0 HA ILE A 23 -2.031 6.980 2.204 1.00 34.33 H new ATOM 0 HB ILE A 23 0.472 7.091 3.934 1.00 33.13 H new ATOM 0 HG12 ILE A 23 0.064 7.714 0.969 1.00 73.34 H new ATOM 0 HG13 ILE A 23 0.244 8.917 2.231 1.00 73.34 H new ATOM 0 HG21 ILE A 23 1.407 5.348 2.405 1.00 1.11 H new ATOM 0 HG22 ILE A 23 -0.002 4.747 3.312 1.00 1.11 H new ATOM 0 HG23 ILE A 23 -0.177 5.217 1.604 1.00 1.11 H new ATOM 0 HD11 ILE A 23 2.331 8.641 0.979 1.00 22.41 H new ATOM 0 HD12 ILE A 23 2.550 8.130 2.670 1.00 22.41 H new ATOM 0 HD13 ILE A 23 2.367 6.909 1.388 1.00 22.41 H new ATOM 338 N LYS A 24 -1.917 6.267 5.480 1.00 63.12 N ATOM 339 CA LYS A 24 -2.354 5.353 6.554 1.00 3.00 C ATOM 340 C LYS A 24 -3.835 4.979 6.396 1.00 0.12 C ATOM 341 O LYS A 24 -4.185 3.806 6.496 1.00 24.23 O ATOM 342 CB LYS A 24 -2.139 5.971 7.960 1.00 71.35 C ATOM 343 CG LYS A 24 -0.674 6.213 8.356 1.00 55.41 C ATOM 344 CD LYS A 24 -0.555 6.705 9.819 1.00 11.42 C ATOM 345 CE LYS A 24 0.896 6.932 10.255 1.00 14.32 C ATOM 346 NZ LYS A 24 0.994 7.285 11.699 1.00 41.24 N ATOM 0 H LYS A 24 -1.470 7.117 5.824 1.00 63.12 H new ATOM 0 HA LYS A 24 -1.740 4.456 6.466 1.00 3.00 H new ATOM 0 HB2 LYS A 24 -2.672 6.921 8.006 1.00 71.35 H new ATOM 0 HB3 LYS A 24 -2.594 5.314 8.701 1.00 71.35 H new ATOM 0 HG2 LYS A 24 -0.106 5.291 8.234 1.00 55.41 H new ATOM 0 HG3 LYS A 24 -0.232 6.951 7.686 1.00 55.41 H new ATOM 0 HD2 LYS A 24 -1.112 7.635 9.931 1.00 11.42 H new ATOM 0 HD3 LYS A 24 -1.018 5.974 10.482 1.00 11.42 H new ATOM 0 HE2 LYS A 24 1.478 6.031 10.061 1.00 14.32 H new ATOM 0 HE3 LYS A 24 1.334 7.730 9.656 1.00 14.32 H new ATOM 0 HZ1 LYS A 24 1.992 7.430 11.954 1.00 41.24 H new ATOM 0 HZ2 LYS A 24 0.460 8.159 11.880 1.00 41.24 H new ATOM 0 HZ3 LYS A 24 0.599 6.513 12.273 1.00 41.24 H new ATOM 360 N GLU A 25 -4.687 5.995 6.128 1.00 72.21 N ATOM 361 CA GLU A 25 -6.140 5.788 6.031 1.00 64.12 C ATOM 362 C GLU A 25 -6.510 5.163 4.672 1.00 63.11 C ATOM 363 O GLU A 25 -7.316 4.259 4.642 1.00 1.35 O ATOM 364 CB GLU A 25 -6.940 7.096 6.302 1.00 62.45 C ATOM 365 CG GLU A 25 -6.975 8.113 5.152 1.00 3.33 C ATOM 366 CD GLU A 25 -7.652 9.439 5.538 1.00 4.44 C ATOM 367 OE1 GLU A 25 -7.023 10.245 6.253 1.00 23.44 O ATOM 368 OE2 GLU A 25 -8.814 9.679 5.146 1.00 62.43 O ATOM 0 H GLU A 25 -4.390 6.959 5.977 1.00 72.21 H new ATOM 0 HA GLU A 25 -6.425 5.086 6.814 1.00 64.12 H new ATOM 0 HB2 GLU A 25 -7.966 6.826 6.553 1.00 62.45 H new ATOM 0 HB3 GLU A 25 -6.515 7.584 7.179 1.00 62.45 H new ATOM 0 HG2 GLU A 25 -5.956 8.315 4.823 1.00 3.33 H new ATOM 0 HG3 GLU A 25 -7.503 7.676 4.305 1.00 3.33 H new ATOM 375 N LEU A 26 -5.875 5.618 3.558 1.00 50.25 N ATOM 376 CA LEU A 26 -6.147 5.078 2.194 1.00 24.40 C ATOM 377 C LEU A 26 -5.876 3.556 2.137 1.00 44.10 C ATOM 378 O LEU A 26 -6.493 2.834 1.350 1.00 14.33 O ATOM 379 CB LEU A 26 -5.287 5.811 1.119 1.00 70.32 C ATOM 380 CG LEU A 26 -5.628 7.312 0.849 1.00 1.24 C ATOM 381 CD1 LEU A 26 -4.601 7.958 -0.109 1.00 71.34 C ATOM 382 CD2 LEU A 26 -7.058 7.475 0.307 1.00 74.43 C ATOM 0 H LEU A 26 -5.172 6.357 3.576 1.00 50.25 H new ATOM 0 HA LEU A 26 -7.200 5.254 1.976 1.00 24.40 H new ATOM 0 HB2 LEU A 26 -4.241 5.749 1.420 1.00 70.32 H new ATOM 0 HB3 LEU A 26 -5.381 5.267 0.179 1.00 70.32 H new ATOM 0 HG LEU A 26 -5.571 7.834 1.804 1.00 1.24 H new ATOM 0 HD11 LEU A 26 -4.866 9.002 -0.277 1.00 71.34 H new ATOM 0 HD12 LEU A 26 -3.606 7.903 0.333 1.00 71.34 H new ATOM 0 HD13 LEU A 26 -4.605 7.425 -1.060 1.00 71.34 H new ATOM 0 HD21 LEU A 26 -7.262 8.531 0.130 1.00 74.43 H new ATOM 0 HD22 LEU A 26 -7.157 6.925 -0.629 1.00 74.43 H new ATOM 0 HD23 LEU A 26 -7.770 7.085 1.035 1.00 74.43 H new ATOM 394 N LEU A 27 -4.937 3.092 2.981 1.00 73.03 N ATOM 395 CA LEU A 27 -4.676 1.665 3.181 1.00 23.34 C ATOM 396 C LEU A 27 -5.745 1.070 4.109 1.00 5.43 C ATOM 397 O LEU A 27 -6.502 0.204 3.709 1.00 34.31 O ATOM 398 CB LEU A 27 -3.260 1.459 3.775 1.00 0.13 C ATOM 399 CG LEU A 27 -2.086 1.985 2.901 1.00 50.34 C ATOM 400 CD1 LEU A 27 -0.752 1.885 3.651 1.00 62.01 C ATOM 401 CD2 LEU A 27 -2.026 1.256 1.544 1.00 15.50 C ATOM 0 H LEU A 27 -4.340 3.700 3.541 1.00 73.03 H new ATOM 0 HA LEU A 27 -4.721 1.152 2.220 1.00 23.34 H new ATOM 0 HB2 LEU A 27 -3.217 1.952 4.746 1.00 0.13 H new ATOM 0 HB3 LEU A 27 -3.110 0.394 3.952 1.00 0.13 H new ATOM 0 HG LEU A 27 -2.271 3.039 2.696 1.00 50.34 H new ATOM 0 HD11 LEU A 27 0.051 2.260 3.016 1.00 62.01 H new ATOM 0 HD12 LEU A 27 -0.802 2.480 4.563 1.00 62.01 H new ATOM 0 HD13 LEU A 27 -0.556 0.844 3.908 1.00 62.01 H new ATOM 0 HD21 LEU A 27 -1.195 1.647 0.957 1.00 15.50 H new ATOM 0 HD22 LEU A 27 -1.882 0.188 1.711 1.00 15.50 H new ATOM 0 HD23 LEU A 27 -2.959 1.416 1.003 1.00 15.50 H new ATOM 413 N ASP A 28 -5.849 1.631 5.321 1.00 50.52 N ATOM 414 CA ASP A 28 -6.626 1.038 6.438 1.00 51.33 C ATOM 415 C ASP A 28 -8.132 0.915 6.131 1.00 71.31 C ATOM 416 O ASP A 28 -8.798 -0.017 6.595 1.00 31.21 O ATOM 417 CB ASP A 28 -6.392 1.857 7.735 1.00 3.42 C ATOM 418 CG ASP A 28 -7.031 1.213 8.979 1.00 55.14 C ATOM 419 OD1 ASP A 28 -6.512 0.179 9.449 1.00 3.20 O ATOM 420 OD2 ASP A 28 -8.031 1.748 9.507 1.00 60.42 O ATOM 0 H ASP A 28 -5.398 2.513 5.564 1.00 50.52 H new ATOM 0 HA ASP A 28 -6.263 0.020 6.577 1.00 51.33 H new ATOM 0 HB2 ASP A 28 -5.320 1.967 7.900 1.00 3.42 H new ATOM 0 HB3 ASP A 28 -6.798 2.860 7.603 1.00 3.42 H new ATOM 425 N THR A 29 -8.643 1.849 5.326 1.00 35.22 N ATOM 426 CA THR A 29 -10.070 1.948 4.997 1.00 45.42 C ATOM 427 C THR A 29 -10.408 1.157 3.718 1.00 34.41 C ATOM 428 O THR A 29 -11.433 0.464 3.659 1.00 64.10 O ATOM 429 CB THR A 29 -10.488 3.455 4.836 1.00 5.20 C ATOM 430 OG1 THR A 29 -9.768 4.073 3.759 1.00 41.43 O ATOM 431 CG2 THR A 29 -10.244 4.251 6.130 1.00 14.04 C ATOM 0 H THR A 29 -8.073 2.567 4.878 1.00 35.22 H new ATOM 0 HA THR A 29 -10.635 1.509 5.819 1.00 45.42 H new ATOM 0 HB THR A 29 -11.555 3.467 4.614 1.00 5.20 H new ATOM 0 HG1 THR A 29 -8.956 4.496 4.108 1.00 41.43 H new ATOM 0 HG21 THR A 29 -10.544 5.288 5.981 1.00 14.04 H new ATOM 0 HG22 THR A 29 -10.829 3.816 6.940 1.00 14.04 H new ATOM 0 HG23 THR A 29 -9.185 4.213 6.386 1.00 14.04 H new ATOM 439 N ARG A 30 -9.527 1.247 2.700 1.00 25.23 N ATOM 440 CA ARG A 30 -9.798 0.695 1.353 1.00 20.52 C ATOM 441 C ARG A 30 -9.088 -0.656 1.150 1.00 3.22 C ATOM 442 O ARG A 30 -9.728 -1.670 0.848 1.00 64.35 O ATOM 443 CB ARG A 30 -9.341 1.703 0.251 1.00 51.22 C ATOM 444 CG ARG A 30 -9.794 3.164 0.472 1.00 11.24 C ATOM 445 CD ARG A 30 -9.464 4.096 -0.712 1.00 74.44 C ATOM 446 NE ARG A 30 -10.332 3.837 -1.879 1.00 22.23 N ATOM 447 CZ ARG A 30 -11.218 4.714 -2.389 1.00 63.21 C ATOM 448 NH1 ARG A 30 -11.378 5.920 -1.847 1.00 12.05 N ATOM 449 NH2 ARG A 30 -11.935 4.385 -3.452 1.00 64.54 N ATOM 0 H ARG A 30 -8.617 1.699 2.785 1.00 25.23 H new ATOM 0 HA ARG A 30 -10.873 0.534 1.270 1.00 20.52 H new ATOM 0 HB2 ARG A 30 -8.253 1.681 0.189 1.00 51.22 H new ATOM 0 HB3 ARG A 30 -9.722 1.362 -0.712 1.00 51.22 H new ATOM 0 HG2 ARG A 30 -10.870 3.180 0.648 1.00 11.24 H new ATOM 0 HG3 ARG A 30 -9.318 3.551 1.373 1.00 11.24 H new ATOM 0 HD2 ARG A 30 -9.578 5.134 -0.399 1.00 74.44 H new ATOM 0 HD3 ARG A 30 -8.421 3.962 -0.999 1.00 74.44 H new ATOM 0 HE ARG A 30 -10.255 2.926 -2.332 1.00 22.23 H new ATOM 0 HH11 ARG A 30 -10.825 6.191 -1.034 1.00 12.05 H new ATOM 0 HH12 ARG A 30 -12.053 6.573 -2.245 1.00 12.05 H new ATOM 0 HH21 ARG A 30 -11.816 3.469 -3.884 1.00 64.54 H new ATOM 0 HH22 ARG A 30 -12.606 5.048 -3.839 1.00 64.54 H new ATOM 463 N ILE A 31 -7.760 -0.663 1.358 1.00 63.21 N ATOM 464 CA ILE A 31 -6.886 -1.770 0.930 1.00 13.25 C ATOM 465 C ILE A 31 -6.858 -2.906 1.968 1.00 54.23 C ATOM 466 O ILE A 31 -7.168 -4.043 1.619 1.00 51.33 O ATOM 467 CB ILE A 31 -5.425 -1.268 0.651 1.00 43.20 C ATOM 468 CG1 ILE A 31 -5.416 -0.112 -0.397 1.00 2.12 C ATOM 469 CG2 ILE A 31 -4.501 -2.419 0.188 1.00 34.32 C ATOM 470 CD1 ILE A 31 -5.951 -0.478 -1.779 1.00 53.01 C ATOM 0 H ILE A 31 -7.263 0.095 1.826 1.00 63.21 H new ATOM 0 HA ILE A 31 -7.305 -2.162 0.003 1.00 13.25 H new ATOM 0 HB ILE A 31 -5.036 -0.884 1.594 1.00 43.20 H new ATOM 0 HG12 ILE A 31 -6.007 0.716 -0.005 1.00 2.12 H new ATOM 0 HG13 ILE A 31 -4.393 0.249 -0.506 1.00 2.12 H new ATOM 0 HG21 ILE A 31 -3.499 -2.030 0.005 1.00 34.32 H new ATOM 0 HG22 ILE A 31 -4.458 -3.185 0.963 1.00 34.32 H new ATOM 0 HG23 ILE A 31 -4.894 -2.854 -0.731 1.00 34.32 H new ATOM 0 HD11 ILE A 31 -5.901 0.394 -2.431 1.00 53.01 H new ATOM 0 HD12 ILE A 31 -5.348 -1.282 -2.201 1.00 53.01 H new ATOM 0 HD13 ILE A 31 -6.986 -0.808 -1.693 1.00 53.01 H new ATOM 482 N ARG A 32 -6.483 -2.584 3.235 1.00 2.13 N ATOM 483 CA ARG A 32 -6.327 -3.578 4.326 1.00 45.05 C ATOM 484 C ARG A 32 -7.551 -4.534 4.433 1.00 34.22 C ATOM 485 O ARG A 32 -7.328 -5.741 4.423 1.00 32.31 O ATOM 486 CB ARG A 32 -6.033 -2.928 5.717 1.00 61.12 C ATOM 487 CG ARG A 32 -4.707 -2.154 5.815 1.00 11.23 C ATOM 488 CD ARG A 32 -4.336 -1.773 7.262 1.00 13.41 C ATOM 489 NE ARG A 32 -4.030 -2.962 8.081 1.00 20.42 N ATOM 490 CZ ARG A 32 -4.301 -3.115 9.392 1.00 71.30 C ATOM 491 NH1 ARG A 32 -4.909 -2.164 10.099 1.00 10.45 N ATOM 492 NH2 ARG A 32 -3.979 -4.258 9.982 1.00 11.35 N ATOM 0 H ARG A 32 -6.281 -1.628 3.526 1.00 2.13 H new ATOM 0 HA ARG A 32 -5.452 -4.165 4.048 1.00 45.05 H new ATOM 0 HB2 ARG A 32 -6.850 -2.249 5.962 1.00 61.12 H new ATOM 0 HB3 ARG A 32 -6.033 -3.713 6.473 1.00 61.12 H new ATOM 0 HG2 ARG A 32 -3.907 -2.759 5.388 1.00 11.23 H new ATOM 0 HG3 ARG A 32 -4.777 -1.248 5.213 1.00 11.23 H new ATOM 0 HD2 ARG A 32 -3.474 -1.107 7.253 1.00 13.41 H new ATOM 0 HD3 ARG A 32 -5.160 -1.222 7.715 1.00 13.41 H new ATOM 0 HE ARG A 32 -3.570 -3.741 7.610 1.00 20.42 H new ATOM 0 HH11 ARG A 32 -5.183 -1.290 9.649 1.00 10.45 H new ATOM 0 HH12 ARG A 32 -5.101 -2.309 11.090 1.00 10.45 H new ATOM 0 HH21 ARG A 32 -3.534 -5.002 9.444 1.00 11.35 H new ATOM 0 HH22 ARG A 32 -4.176 -4.393 10.974 1.00 11.35 H new ATOM 506 N PRO A 33 -8.862 -4.024 4.508 1.00 35.33 N ATOM 507 CA PRO A 33 -10.063 -4.907 4.542 1.00 71.44 C ATOM 508 C PRO A 33 -10.071 -5.934 3.383 1.00 33.43 C ATOM 509 O PRO A 33 -10.322 -7.115 3.610 1.00 74.23 O ATOM 510 CB PRO A 33 -11.257 -3.908 4.426 1.00 25.31 C ATOM 511 CG PRO A 33 -10.732 -2.627 4.998 1.00 74.14 C ATOM 512 CD PRO A 33 -9.277 -2.582 4.587 1.00 42.34 C ATOM 0 HA PRO A 33 -10.101 -5.515 5.446 1.00 71.44 H new ATOM 0 HB2 PRO A 33 -11.569 -3.781 3.389 1.00 25.31 H new ATOM 0 HB3 PRO A 33 -12.126 -4.263 4.979 1.00 25.31 H new ATOM 0 HG2 PRO A 33 -11.279 -1.768 4.609 1.00 74.14 H new ATOM 0 HG3 PRO A 33 -10.837 -2.607 6.083 1.00 74.14 H new ATOM 0 HD2 PRO A 33 -9.151 -2.080 3.628 1.00 42.34 H new ATOM 0 HD3 PRO A 33 -8.676 -2.036 5.314 1.00 42.34 H new ATOM 520 N THR A 34 -9.720 -5.457 2.170 1.00 22.40 N ATOM 521 CA THR A 34 -9.704 -6.263 0.928 1.00 73.13 C ATOM 522 C THR A 34 -8.683 -7.419 1.016 1.00 33.13 C ATOM 523 O THR A 34 -9.008 -8.578 0.721 1.00 12.13 O ATOM 524 CB THR A 34 -9.373 -5.351 -0.304 1.00 54.23 C ATOM 525 OG1 THR A 34 -10.355 -4.309 -0.398 1.00 21.31 O ATOM 526 CG2 THR A 34 -9.317 -6.124 -1.636 1.00 23.30 C ATOM 0 H THR A 34 -9.436 -4.489 2.023 1.00 22.40 H new ATOM 0 HA THR A 34 -10.695 -6.698 0.801 1.00 73.13 H new ATOM 0 HB THR A 34 -8.378 -4.938 -0.137 1.00 54.23 H new ATOM 0 HG1 THR A 34 -10.029 -3.509 0.065 1.00 21.31 H new ATOM 0 HG21 THR A 34 -9.084 -5.434 -2.447 1.00 23.30 H new ATOM 0 HG22 THR A 34 -8.545 -6.892 -1.579 1.00 23.30 H new ATOM 0 HG23 THR A 34 -10.282 -6.593 -1.825 1.00 23.30 H new ATOM 534 N VAL A 35 -7.453 -7.084 1.442 1.00 72.14 N ATOM 535 CA VAL A 35 -6.338 -8.052 1.521 1.00 55.54 C ATOM 536 C VAL A 35 -6.586 -9.075 2.651 1.00 12.03 C ATOM 537 O VAL A 35 -6.182 -10.238 2.547 1.00 50.01 O ATOM 538 CB VAL A 35 -4.948 -7.339 1.735 1.00 13.45 C ATOM 539 CG1 VAL A 35 -3.771 -8.317 1.494 1.00 61.23 C ATOM 540 CG2 VAL A 35 -4.809 -6.101 0.831 1.00 25.54 C ATOM 0 H VAL A 35 -7.201 -6.142 1.740 1.00 72.14 H new ATOM 0 HA VAL A 35 -6.299 -8.574 0.565 1.00 55.54 H new ATOM 0 HB VAL A 35 -4.911 -7.009 2.773 1.00 13.45 H new ATOM 0 HG11 VAL A 35 -2.827 -7.795 1.649 1.00 61.23 H new ATOM 0 HG12 VAL A 35 -3.843 -9.152 2.191 1.00 61.23 H new ATOM 0 HG13 VAL A 35 -3.814 -8.693 0.472 1.00 61.23 H new ATOM 0 HG21 VAL A 35 -3.840 -5.632 1.003 1.00 25.54 H new ATOM 0 HG22 VAL A 35 -4.886 -6.403 -0.214 1.00 25.54 H new ATOM 0 HG23 VAL A 35 -5.602 -5.390 1.063 1.00 25.54 H new ATOM 550 N GLN A 36 -7.276 -8.619 3.716 1.00 30.42 N ATOM 551 CA GLN A 36 -7.671 -9.468 4.860 1.00 14.43 C ATOM 552 C GLN A 36 -8.771 -10.469 4.457 1.00 31.24 C ATOM 553 O GLN A 36 -8.843 -11.566 5.022 1.00 4.22 O ATOM 554 CB GLN A 36 -8.113 -8.587 6.062 1.00 73.20 C ATOM 555 CG GLN A 36 -6.957 -7.784 6.714 1.00 52.30 C ATOM 556 CD GLN A 36 -7.423 -6.761 7.761 1.00 3.21 C ATOM 557 OE1 GLN A 36 -8.433 -6.956 8.436 1.00 3.34 O ATOM 558 NE2 GLN A 36 -6.699 -5.659 7.902 1.00 30.23 N ATOM 0 H GLN A 36 -7.576 -7.649 3.808 1.00 30.42 H new ATOM 0 HA GLN A 36 -6.804 -10.051 5.171 1.00 14.43 H new ATOM 0 HB2 GLN A 36 -8.881 -7.891 5.726 1.00 73.20 H new ATOM 0 HB3 GLN A 36 -8.570 -9.225 6.818 1.00 73.20 H new ATOM 0 HG2 GLN A 36 -6.264 -8.481 7.185 1.00 52.30 H new ATOM 0 HG3 GLN A 36 -6.404 -7.263 5.933 1.00 52.30 H new ATOM 0 HE21 GLN A 36 -5.865 -5.520 7.331 1.00 30.23 H new ATOM 0 HE22 GLN A 36 -6.976 -4.951 8.582 1.00 30.23 H new ATOM 567 N GLU A 37 -9.620 -10.089 3.471 1.00 21.44 N ATOM 568 CA GLU A 37 -10.600 -11.018 2.861 1.00 41.40 C ATOM 569 C GLU A 37 -9.863 -12.087 2.029 1.00 12.44 C ATOM 570 O GLU A 37 -10.299 -13.240 1.939 1.00 42.12 O ATOM 571 CB GLU A 37 -11.620 -10.261 1.961 1.00 42.12 C ATOM 572 CG GLU A 37 -12.470 -9.200 2.687 1.00 74.03 C ATOM 573 CD GLU A 37 -13.284 -9.748 3.875 1.00 20.33 C ATOM 574 OE1 GLU A 37 -14.338 -10.378 3.651 1.00 75.54 O ATOM 575 OE2 GLU A 37 -12.881 -9.548 5.039 1.00 61.41 O ATOM 0 H GLU A 37 -9.645 -9.146 3.082 1.00 21.44 H new ATOM 0 HA GLU A 37 -11.153 -11.498 3.668 1.00 41.40 H new ATOM 0 HB2 GLU A 37 -11.076 -9.776 1.150 1.00 42.12 H new ATOM 0 HB3 GLU A 37 -12.289 -10.990 1.504 1.00 42.12 H new ATOM 0 HG2 GLU A 37 -11.813 -8.408 3.046 1.00 74.03 H new ATOM 0 HG3 GLU A 37 -13.155 -8.746 1.970 1.00 74.03 H new ATOM 582 N ASP A 38 -8.735 -11.677 1.424 1.00 73.31 N ATOM 583 CA ASP A 38 -7.878 -12.564 0.616 1.00 3.04 C ATOM 584 C ASP A 38 -6.966 -13.427 1.522 1.00 41.13 C ATOM 585 O ASP A 38 -6.424 -14.442 1.080 1.00 11.42 O ATOM 586 CB ASP A 38 -7.039 -11.710 -0.383 1.00 40.31 C ATOM 587 CG ASP A 38 -6.461 -12.538 -1.550 1.00 71.44 C ATOM 588 OD1 ASP A 38 -7.241 -12.934 -2.438 1.00 14.23 O ATOM 589 OD2 ASP A 38 -5.235 -12.779 -1.607 1.00 75.41 O ATOM 0 H ASP A 38 -8.390 -10.719 1.481 1.00 73.31 H new ATOM 0 HA ASP A 38 -8.508 -13.248 0.047 1.00 3.04 H new ATOM 0 HB2 ASP A 38 -7.665 -10.913 -0.785 1.00 40.31 H new ATOM 0 HB3 ASP A 38 -6.221 -11.231 0.155 1.00 40.31 H new ATOM 594 N GLY A 39 -6.785 -12.993 2.789 1.00 52.52 N ATOM 595 CA GLY A 39 -6.060 -13.763 3.810 1.00 40.33 C ATOM 596 C GLY A 39 -4.898 -12.989 4.440 1.00 22.41 C ATOM 597 O GLY A 39 -4.580 -13.186 5.622 1.00 41.52 O ATOM 0 H GLY A 39 -7.140 -12.098 3.127 1.00 52.52 H new ATOM 0 HA2 GLY A 39 -6.757 -14.060 4.594 1.00 40.33 H new ATOM 0 HA3 GLY A 39 -5.676 -14.679 3.360 1.00 40.33 H new ATOM 601 N GLY A 40 -4.260 -12.105 3.649 1.00 4.53 N ATOM 602 CA GLY A 40 -3.069 -11.354 4.082 1.00 73.35 C ATOM 603 C GLY A 40 -3.407 -9.998 4.674 1.00 71.54 C ATOM 604 O GLY A 40 -4.482 -9.829 5.250 1.00 30.53 O ATOM 0 H GLY A 40 -4.555 -11.893 2.696 1.00 4.53 H new ATOM 0 HA2 GLY A 40 -2.524 -11.942 4.821 1.00 73.35 H new ATOM 0 HA3 GLY A 40 -2.403 -11.217 3.230 1.00 73.35 H new ATOM 608 N ASP A 41 -2.489 -9.034 4.527 1.00 15.50 N ATOM 609 CA ASP A 41 -2.646 -7.665 5.048 1.00 24.23 C ATOM 610 C ASP A 41 -1.530 -6.767 4.501 1.00 40.33 C ATOM 611 O ASP A 41 -0.481 -7.262 4.062 1.00 32.30 O ATOM 612 CB ASP A 41 -2.644 -7.662 6.610 1.00 51.34 C ATOM 613 CG ASP A 41 -2.948 -6.289 7.240 1.00 63.00 C ATOM 614 OD1 ASP A 41 -3.888 -5.613 6.773 1.00 51.25 O ATOM 615 OD2 ASP A 41 -2.244 -5.882 8.193 1.00 15.22 O ATOM 0 H ASP A 41 -1.606 -9.182 4.038 1.00 15.50 H new ATOM 0 HA ASP A 41 -3.607 -7.272 4.715 1.00 24.23 H new ATOM 0 HB2 ASP A 41 -3.381 -8.383 6.964 1.00 51.34 H new ATOM 0 HB3 ASP A 41 -1.670 -8.003 6.961 1.00 51.34 H new ATOM 620 N VAL A 42 -1.772 -5.445 4.518 1.00 14.25 N ATOM 621 CA VAL A 42 -0.777 -4.426 4.146 1.00 30.12 C ATOM 622 C VAL A 42 -0.503 -3.545 5.378 1.00 44.04 C ATOM 623 O VAL A 42 -1.423 -2.965 5.969 1.00 62.35 O ATOM 624 CB VAL A 42 -1.218 -3.564 2.894 1.00 62.43 C ATOM 625 CG1 VAL A 42 -1.403 -4.459 1.655 1.00 2.01 C ATOM 626 CG2 VAL A 42 -2.499 -2.744 3.147 1.00 51.43 C ATOM 0 H VAL A 42 -2.672 -5.051 4.793 1.00 14.25 H new ATOM 0 HA VAL A 42 0.140 -4.928 3.837 1.00 30.12 H new ATOM 0 HB VAL A 42 -0.412 -2.852 2.714 1.00 62.43 H new ATOM 0 HG11 VAL A 42 -1.706 -3.847 0.806 1.00 2.01 H new ATOM 0 HG12 VAL A 42 -0.463 -4.960 1.424 1.00 2.01 H new ATOM 0 HG13 VAL A 42 -2.171 -5.205 1.857 1.00 2.01 H new ATOM 0 HG21 VAL A 42 -2.749 -2.175 2.252 1.00 51.43 H new ATOM 0 HG22 VAL A 42 -3.320 -3.418 3.390 1.00 51.43 H new ATOM 0 HG23 VAL A 42 -2.334 -2.059 3.978 1.00 51.43 H new ATOM 636 N ILE A 43 0.756 -3.515 5.820 1.00 11.10 N ATOM 637 CA ILE A 43 1.180 -2.759 6.999 1.00 64.13 C ATOM 638 C ILE A 43 2.038 -1.581 6.524 1.00 70.52 C ATOM 639 O ILE A 43 3.065 -1.795 5.869 1.00 5.30 O ATOM 640 CB ILE A 43 2.011 -3.634 8.029 1.00 1.32 C ATOM 641 CG1 ILE A 43 1.284 -4.973 8.418 1.00 34.12 C ATOM 642 CG2 ILE A 43 2.333 -2.810 9.297 1.00 1.32 C ATOM 643 CD1 ILE A 43 1.349 -6.084 7.381 1.00 45.41 C ATOM 0 H ILE A 43 1.517 -4.020 5.365 1.00 11.10 H new ATOM 0 HA ILE A 43 0.286 -2.422 7.524 1.00 64.13 H new ATOM 0 HB ILE A 43 2.939 -3.912 7.530 1.00 1.32 H new ATOM 0 HG12 ILE A 43 1.717 -5.343 9.348 1.00 34.12 H new ATOM 0 HG13 ILE A 43 0.236 -4.751 8.620 1.00 34.12 H new ATOM 0 HG21 ILE A 43 2.903 -3.423 9.994 1.00 1.32 H new ATOM 0 HG22 ILE A 43 2.919 -1.933 9.022 1.00 1.32 H new ATOM 0 HG23 ILE A 43 1.404 -2.492 9.770 1.00 1.32 H new ATOM 0 HD11 ILE A 43 0.816 -6.960 7.752 1.00 45.41 H new ATOM 0 HD12 ILE A 43 0.887 -5.744 6.454 1.00 45.41 H new ATOM 0 HD13 ILE A 43 2.390 -6.346 7.193 1.00 45.41 H new ATOM 655 N TYR A 44 1.614 -0.344 6.842 1.00 45.31 N ATOM 656 CA TYR A 44 2.372 0.859 6.487 1.00 40.22 C ATOM 657 C TYR A 44 3.680 0.914 7.303 1.00 23.12 C ATOM 658 O TYR A 44 3.642 0.870 8.538 1.00 1.34 O ATOM 659 CB TYR A 44 1.524 2.132 6.716 1.00 53.32 C ATOM 660 CG TYR A 44 2.270 3.430 6.372 1.00 31.23 C ATOM 661 CD1 TYR A 44 2.469 3.807 5.044 1.00 22.03 C ATOM 662 CD2 TYR A 44 2.808 4.247 7.368 1.00 64.22 C ATOM 663 CE1 TYR A 44 3.163 4.951 4.726 1.00 64.11 C ATOM 664 CE2 TYR A 44 3.507 5.384 7.050 1.00 31.01 C ATOM 665 CZ TYR A 44 3.682 5.733 5.729 1.00 13.53 C ATOM 666 OH TYR A 44 4.388 6.871 5.414 1.00 74.04 O ATOM 0 H TYR A 44 0.747 -0.156 7.346 1.00 45.31 H new ATOM 0 HA TYR A 44 2.623 0.815 5.427 1.00 40.22 H new ATOM 0 HB2 TYR A 44 0.619 2.071 6.112 1.00 53.32 H new ATOM 0 HB3 TYR A 44 1.209 2.168 7.759 1.00 53.32 H new ATOM 0 HD1 TYR A 44 2.071 3.190 4.252 1.00 22.03 H new ATOM 0 HD2 TYR A 44 2.672 3.980 8.406 1.00 64.22 H new ATOM 0 HE1 TYR A 44 3.299 5.233 3.692 1.00 64.11 H new ATOM 0 HE2 TYR A 44 3.919 6.003 7.833 1.00 31.01 H new ATOM 0 HH TYR A 44 5.238 6.874 5.901 1.00 74.04 H new ATOM 676 N LYS A 45 4.829 0.973 6.598 1.00 25.03 N ATOM 677 CA LYS A 45 6.168 1.008 7.226 1.00 31.10 C ATOM 678 C LYS A 45 6.861 2.358 7.030 1.00 50.53 C ATOM 679 O LYS A 45 7.559 2.833 7.942 1.00 14.42 O ATOM 680 CB LYS A 45 7.040 -0.154 6.671 1.00 53.15 C ATOM 681 CG LYS A 45 6.562 -1.546 7.136 1.00 44.43 C ATOM 682 CD LYS A 45 6.560 -1.663 8.682 1.00 73.11 C ATOM 683 CE LYS A 45 6.041 -3.009 9.189 1.00 63.52 C ATOM 684 NZ LYS A 45 6.138 -3.090 10.671 1.00 51.13 N ATOM 0 H LYS A 45 4.856 0.998 5.579 1.00 25.03 H new ATOM 0 HA LYS A 45 6.040 0.876 8.300 1.00 31.10 H new ATOM 0 HB2 LYS A 45 7.031 -0.119 5.582 1.00 53.15 H new ATOM 0 HB3 LYS A 45 8.073 -0.007 6.986 1.00 53.15 H new ATOM 0 HG2 LYS A 45 5.558 -1.732 6.755 1.00 44.43 H new ATOM 0 HG3 LYS A 45 7.210 -2.314 6.713 1.00 44.43 H new ATOM 0 HD2 LYS A 45 7.574 -1.510 9.052 1.00 73.11 H new ATOM 0 HD3 LYS A 45 5.945 -0.865 9.098 1.00 73.11 H new ATOM 0 HE2 LYS A 45 5.004 -3.143 8.880 1.00 63.52 H new ATOM 0 HE3 LYS A 45 6.615 -3.818 8.738 1.00 63.52 H new ATOM 0 HZ1 LYS A 45 5.780 -4.012 10.992 1.00 51.13 H new ATOM 0 HZ2 LYS A 45 7.131 -2.984 10.960 1.00 51.13 H new ATOM 0 HZ3 LYS A 45 5.570 -2.330 11.098 1.00 51.13 H new ATOM 698 N GLY A 46 6.677 2.986 5.861 1.00 72.51 N ATOM 699 CA GLY A 46 7.292 4.285 5.609 1.00 71.43 C ATOM 700 C GLY A 46 6.925 4.883 4.271 1.00 30.55 C ATOM 701 O GLY A 46 6.182 4.283 3.483 1.00 33.24 O ATOM 0 H GLY A 46 6.117 2.620 5.091 1.00 72.51 H new ATOM 0 HA2 GLY A 46 6.997 4.976 6.399 1.00 71.43 H new ATOM 0 HA3 GLY A 46 8.376 4.181 5.665 1.00 71.43 H new ATOM 705 N PHE A 47 7.451 6.089 4.037 1.00 34.22 N ATOM 706 CA PHE A 47 7.310 6.830 2.783 1.00 42.43 C ATOM 707 C PHE A 47 8.537 7.740 2.670 1.00 3.42 C ATOM 708 O PHE A 47 8.681 8.694 3.440 1.00 2.41 O ATOM 709 CB PHE A 47 5.989 7.647 2.796 1.00 74.32 C ATOM 710 CG PHE A 47 5.741 8.500 1.560 1.00 23.31 C ATOM 711 CD1 PHE A 47 5.856 7.960 0.287 1.00 23.10 C ATOM 712 CD2 PHE A 47 5.385 9.841 1.669 1.00 32.44 C ATOM 713 CE1 PHE A 47 5.625 8.725 -0.833 1.00 65.55 C ATOM 714 CE2 PHE A 47 5.157 10.603 0.542 1.00 3.25 C ATOM 715 CZ PHE A 47 5.276 10.046 -0.706 1.00 13.34 C ATOM 0 H PHE A 47 8.002 6.589 4.735 1.00 34.22 H new ATOM 0 HA PHE A 47 7.259 6.163 1.923 1.00 42.43 H new ATOM 0 HB2 PHE A 47 5.154 6.956 2.914 1.00 74.32 H new ATOM 0 HB3 PHE A 47 5.991 8.296 3.671 1.00 74.32 H new ATOM 0 HD1 PHE A 47 6.131 6.922 0.173 1.00 23.10 H new ATOM 0 HD2 PHE A 47 5.286 10.290 2.646 1.00 32.44 H new ATOM 0 HE1 PHE A 47 5.719 8.285 -1.815 1.00 65.55 H new ATOM 0 HE2 PHE A 47 4.884 11.643 0.643 1.00 3.25 H new ATOM 0 HZ PHE A 47 5.096 10.645 -1.586 1.00 13.34 H new ATOM 725 N GLU A 48 9.424 7.413 1.726 1.00 54.14 N ATOM 726 CA GLU A 48 10.723 8.085 1.558 1.00 53.43 C ATOM 727 C GLU A 48 11.170 8.011 0.089 1.00 43.42 C ATOM 728 O GLU A 48 11.082 6.939 -0.531 1.00 31.55 O ATOM 729 CB GLU A 48 11.774 7.460 2.516 1.00 32.11 C ATOM 730 CG GLU A 48 11.741 5.918 2.575 1.00 62.31 C ATOM 731 CD GLU A 48 12.721 5.304 3.588 1.00 2.03 C ATOM 732 OE1 GLU A 48 12.543 5.510 4.806 1.00 63.03 O ATOM 733 OE2 GLU A 48 13.644 4.574 3.173 1.00 12.33 O ATOM 0 H GLU A 48 9.262 6.668 1.049 1.00 54.14 H new ATOM 0 HA GLU A 48 10.624 9.139 1.819 1.00 53.43 H new ATOM 0 HB2 GLU A 48 12.768 7.779 2.204 1.00 32.11 H new ATOM 0 HB3 GLU A 48 11.614 7.854 3.520 1.00 32.11 H new ATOM 0 HG2 GLU A 48 10.730 5.597 2.825 1.00 62.31 H new ATOM 0 HG3 GLU A 48 11.965 5.523 1.584 1.00 62.31 H new ATOM 740 N ASP A 49 11.625 9.171 -0.453 1.00 61.24 N ATOM 741 CA ASP A 49 12.058 9.334 -1.869 1.00 1.12 C ATOM 742 C ASP A 49 10.863 9.203 -2.832 1.00 64.31 C ATOM 743 O ASP A 49 11.046 8.966 -4.035 1.00 2.14 O ATOM 744 CB ASP A 49 13.186 8.322 -2.268 1.00 53.33 C ATOM 745 CG ASP A 49 14.503 8.511 -1.495 1.00 63.21 C ATOM 746 OD1 ASP A 49 15.334 9.341 -1.918 1.00 74.44 O ATOM 747 OD2 ASP A 49 14.711 7.837 -0.458 1.00 24.01 O ATOM 0 H ASP A 49 11.703 10.032 0.088 1.00 61.24 H new ATOM 0 HA ASP A 49 12.472 10.339 -1.954 1.00 1.12 H new ATOM 0 HB2 ASP A 49 12.823 7.307 -2.104 1.00 53.33 H new ATOM 0 HB3 ASP A 49 13.386 8.420 -3.335 1.00 53.33 H new ATOM 752 N GLY A 50 9.641 9.376 -2.300 1.00 53.22 N ATOM 753 CA GLY A 50 8.416 9.150 -3.066 1.00 44.05 C ATOM 754 C GLY A 50 8.000 7.686 -3.102 1.00 51.22 C ATOM 755 O GLY A 50 7.010 7.334 -3.750 1.00 34.33 O ATOM 0 H GLY A 50 9.481 9.673 -1.337 1.00 53.22 H new ATOM 0 HA2 GLY A 50 7.609 9.741 -2.633 1.00 44.05 H new ATOM 0 HA3 GLY A 50 8.561 9.506 -4.086 1.00 44.05 H new ATOM 759 N ILE A 51 8.741 6.830 -2.383 1.00 44.54 N ATOM 760 CA ILE A 51 8.510 5.381 -2.358 1.00 24.04 C ATOM 761 C ILE A 51 7.775 4.999 -1.068 1.00 14.11 C ATOM 762 O ILE A 51 8.343 5.098 0.031 1.00 10.41 O ATOM 763 CB ILE A 51 9.865 4.587 -2.473 1.00 4.31 C ATOM 764 CG1 ILE A 51 10.678 5.058 -3.724 1.00 70.41 C ATOM 765 CG2 ILE A 51 9.634 3.054 -2.501 1.00 33.44 C ATOM 766 CD1 ILE A 51 9.956 4.939 -5.054 1.00 4.20 C ATOM 0 H ILE A 51 9.523 7.127 -1.799 1.00 44.54 H new ATOM 0 HA ILE A 51 7.895 5.114 -3.217 1.00 24.04 H new ATOM 0 HB ILE A 51 10.452 4.807 -1.581 1.00 4.31 H new ATOM 0 HG12 ILE A 51 10.965 6.099 -3.578 1.00 70.41 H new ATOM 0 HG13 ILE A 51 11.599 4.477 -3.777 1.00 70.41 H new ATOM 0 HG21 ILE A 51 10.593 2.543 -2.581 1.00 33.44 H new ATOM 0 HG22 ILE A 51 9.133 2.745 -1.583 1.00 33.44 H new ATOM 0 HG23 ILE A 51 9.013 2.795 -3.358 1.00 33.44 H new ATOM 0 HD11 ILE A 51 10.607 5.291 -5.854 1.00 4.20 H new ATOM 0 HD12 ILE A 51 9.693 3.897 -5.233 1.00 4.20 H new ATOM 0 HD13 ILE A 51 9.049 5.543 -5.031 1.00 4.20 H new ATOM 778 N VAL A 52 6.504 4.583 -1.206 1.00 74.03 N ATOM 779 CA VAL A 52 5.697 4.114 -0.077 1.00 63.25 C ATOM 780 C VAL A 52 6.101 2.669 0.223 1.00 44.30 C ATOM 781 O VAL A 52 5.804 1.752 -0.554 1.00 64.12 O ATOM 782 CB VAL A 52 4.150 4.179 -0.341 1.00 44.04 C ATOM 783 CG1 VAL A 52 3.364 3.930 0.961 1.00 52.33 C ATOM 784 CG2 VAL A 52 3.741 5.513 -0.980 1.00 12.11 C ATOM 0 H VAL A 52 6.014 4.564 -2.100 1.00 74.03 H new ATOM 0 HA VAL A 52 5.890 4.776 0.767 1.00 63.25 H new ATOM 0 HB VAL A 52 3.903 3.388 -1.049 1.00 44.04 H new ATOM 0 HG11 VAL A 52 2.295 3.979 0.756 1.00 52.33 H new ATOM 0 HG12 VAL A 52 3.613 2.944 1.353 1.00 52.33 H new ATOM 0 HG13 VAL A 52 3.628 4.690 1.696 1.00 52.33 H new ATOM 0 HG21 VAL A 52 2.664 5.521 -1.148 1.00 12.11 H new ATOM 0 HG22 VAL A 52 4.011 6.333 -0.315 1.00 12.11 H new ATOM 0 HG23 VAL A 52 4.257 5.634 -1.932 1.00 12.11 H new ATOM 794 N GLN A 53 6.808 2.480 1.328 1.00 72.22 N ATOM 795 CA GLN A 53 7.323 1.176 1.731 1.00 1.23 C ATOM 796 C GLN A 53 6.284 0.465 2.613 1.00 45.22 C ATOM 797 O GLN A 53 5.973 0.917 3.725 1.00 21.20 O ATOM 798 CB GLN A 53 8.691 1.377 2.428 1.00 33.42 C ATOM 799 CG GLN A 53 9.806 1.814 1.446 1.00 42.31 C ATOM 800 CD GLN A 53 11.179 2.016 2.092 1.00 52.21 C ATOM 801 OE1 GLN A 53 11.503 1.409 3.117 1.00 74.31 O ATOM 802 NE2 GLN A 53 12.017 2.833 1.466 1.00 62.40 N ATOM 0 H GLN A 53 7.043 3.232 1.976 1.00 72.22 H new ATOM 0 HA GLN A 53 7.491 0.529 0.870 1.00 1.23 H new ATOM 0 HB2 GLN A 53 8.588 2.128 3.211 1.00 33.42 H new ATOM 0 HB3 GLN A 53 8.986 0.447 2.915 1.00 33.42 H new ATOM 0 HG2 GLN A 53 9.895 1.064 0.661 1.00 42.31 H new ATOM 0 HG3 GLN A 53 9.505 2.745 0.965 1.00 42.31 H new ATOM 0 HE21 GLN A 53 11.719 3.320 0.621 1.00 62.40 H new ATOM 0 HE22 GLN A 53 12.959 2.974 1.830 1.00 62.40 H new ATOM 811 N LEU A 54 5.707 -0.623 2.067 1.00 3.33 N ATOM 812 CA LEU A 54 4.617 -1.388 2.698 1.00 62.21 C ATOM 813 C LEU A 54 5.031 -2.845 2.887 1.00 24.13 C ATOM 814 O LEU A 54 5.607 -3.453 1.980 1.00 52.11 O ATOM 815 CB LEU A 54 3.344 -1.340 1.813 1.00 74.20 C ATOM 816 CG LEU A 54 2.797 0.075 1.491 1.00 23.31 C ATOM 817 CD1 LEU A 54 1.540 -0.003 0.616 1.00 64.41 C ATOM 818 CD2 LEU A 54 2.533 0.870 2.779 1.00 40.23 C ATOM 0 H LEU A 54 5.990 -0.999 1.162 1.00 3.33 H new ATOM 0 HA LEU A 54 4.406 -0.939 3.669 1.00 62.21 H new ATOM 0 HB2 LEU A 54 3.559 -1.848 0.873 1.00 74.20 H new ATOM 0 HB3 LEU A 54 2.558 -1.908 2.310 1.00 74.20 H new ATOM 0 HG LEU A 54 3.560 0.608 0.923 1.00 23.31 H new ATOM 0 HD11 LEU A 54 1.179 1.004 0.407 1.00 64.41 H new ATOM 0 HD12 LEU A 54 1.780 -0.505 -0.321 1.00 64.41 H new ATOM 0 HD13 LEU A 54 0.766 -0.564 1.140 1.00 64.41 H new ATOM 0 HD21 LEU A 54 2.150 1.858 2.525 1.00 40.23 H new ATOM 0 HD22 LEU A 54 1.799 0.342 3.388 1.00 40.23 H new ATOM 0 HD23 LEU A 54 3.462 0.974 3.339 1.00 40.23 H new ATOM 830 N LYS A 55 4.710 -3.404 4.053 1.00 52.50 N ATOM 831 CA LYS A 55 4.924 -4.818 4.340 1.00 33.34 C ATOM 832 C LYS A 55 3.687 -5.614 3.888 1.00 45.33 C ATOM 833 O LYS A 55 2.558 -5.218 4.189 1.00 12.11 O ATOM 834 CB LYS A 55 5.178 -5.028 5.851 1.00 4.05 C ATOM 835 CG LYS A 55 5.474 -6.492 6.232 1.00 24.13 C ATOM 836 CD LYS A 55 5.697 -6.695 7.745 1.00 44.53 C ATOM 837 CE LYS A 55 6.063 -8.145 8.075 1.00 22.45 C ATOM 838 NZ LYS A 55 6.345 -8.350 9.519 1.00 20.11 N ATOM 0 H LYS A 55 4.293 -2.886 4.826 1.00 52.50 H new ATOM 0 HA LYS A 55 5.801 -5.171 3.797 1.00 33.34 H new ATOM 0 HB2 LYS A 55 6.017 -4.405 6.159 1.00 4.05 H new ATOM 0 HB3 LYS A 55 4.306 -4.686 6.408 1.00 4.05 H new ATOM 0 HG2 LYS A 55 4.645 -7.120 5.906 1.00 24.13 H new ATOM 0 HG3 LYS A 55 6.359 -6.829 5.693 1.00 24.13 H new ATOM 0 HD2 LYS A 55 6.492 -6.032 8.088 1.00 44.53 H new ATOM 0 HD3 LYS A 55 4.793 -6.416 8.287 1.00 44.53 H new ATOM 0 HE2 LYS A 55 5.246 -8.800 7.772 1.00 22.45 H new ATOM 0 HE3 LYS A 55 6.937 -8.436 7.493 1.00 22.45 H new ATOM 0 HZ1 LYS A 55 6.587 -9.347 9.687 1.00 20.11 H new ATOM 0 HZ2 LYS A 55 7.142 -7.747 9.806 1.00 20.11 H new ATOM 0 HZ3 LYS A 55 5.503 -8.099 10.076 1.00 20.11 H new ATOM 852 N LEU A 56 3.892 -6.721 3.160 1.00 3.42 N ATOM 853 CA LEU A 56 2.790 -7.617 2.739 1.00 54.05 C ATOM 854 C LEU A 56 2.834 -8.899 3.591 1.00 40.22 C ATOM 855 O LEU A 56 3.921 -9.371 3.943 1.00 62.24 O ATOM 856 CB LEU A 56 2.884 -7.953 1.223 1.00 60.12 C ATOM 857 CG LEU A 56 2.937 -6.733 0.244 1.00 71.55 C ATOM 858 CD1 LEU A 56 2.892 -7.190 -1.223 1.00 1.21 C ATOM 859 CD2 LEU A 56 1.826 -5.704 0.530 1.00 41.13 C ATOM 0 H LEU A 56 4.814 -7.024 2.846 1.00 3.42 H new ATOM 0 HA LEU A 56 1.838 -7.110 2.896 1.00 54.05 H new ATOM 0 HB2 LEU A 56 3.775 -8.560 1.062 1.00 60.12 H new ATOM 0 HB3 LEU A 56 2.026 -8.569 0.955 1.00 60.12 H new ATOM 0 HG LEU A 56 3.891 -6.235 0.418 1.00 71.55 H new ATOM 0 HD11 LEU A 56 2.930 -6.319 -1.877 1.00 1.21 H new ATOM 0 HD12 LEU A 56 3.745 -7.836 -1.429 1.00 1.21 H new ATOM 0 HD13 LEU A 56 1.968 -7.740 -1.405 1.00 1.21 H new ATOM 0 HD21 LEU A 56 1.906 -4.877 -0.176 1.00 41.13 H new ATOM 0 HD22 LEU A 56 0.852 -6.181 0.422 1.00 41.13 H new ATOM 0 HD23 LEU A 56 1.934 -5.325 1.546 1.00 41.13 H new ATOM 871 N GLN A 57 1.651 -9.445 3.930 1.00 25.53 N ATOM 872 CA GLN A 57 1.525 -10.668 4.760 1.00 75.43 C ATOM 873 C GLN A 57 1.310 -11.928 3.907 1.00 2.44 C ATOM 874 O GLN A 57 1.101 -11.848 2.686 1.00 35.23 O ATOM 875 CB GLN A 57 0.370 -10.516 5.799 1.00 41.42 C ATOM 876 CG GLN A 57 0.725 -9.638 7.007 1.00 12.22 C ATOM 877 CD GLN A 57 1.875 -10.201 7.856 1.00 15.15 C ATOM 878 OE1 GLN A 57 2.058 -11.414 7.970 1.00 2.41 O ATOM 879 NE2 GLN A 57 2.656 -9.324 8.459 1.00 71.15 N ATOM 0 H GLN A 57 0.755 -9.055 3.639 1.00 25.53 H new ATOM 0 HA GLN A 57 2.468 -10.789 5.293 1.00 75.43 H new ATOM 0 HB2 GLN A 57 -0.501 -10.092 5.299 1.00 41.42 H new ATOM 0 HB3 GLN A 57 0.083 -11.506 6.155 1.00 41.42 H new ATOM 0 HG2 GLN A 57 0.997 -8.643 6.656 1.00 12.22 H new ATOM 0 HG3 GLN A 57 -0.158 -9.524 7.636 1.00 12.22 H new ATOM 0 HE21 GLN A 57 2.482 -8.325 8.348 1.00 71.15 H new ATOM 0 HE22 GLN A 57 3.433 -9.645 9.036 1.00 71.15 H new ATOM 888 N GLY A 58 1.342 -13.096 4.604 1.00 2.24 N ATOM 889 CA GLY A 58 1.161 -14.422 4.001 1.00 13.24 C ATOM 890 C GLY A 58 -0.151 -14.577 3.253 1.00 11.54 C ATOM 891 O GLY A 58 -1.064 -13.766 3.448 1.00 74.14 O ATOM 0 H GLY A 58 1.497 -13.131 5.612 1.00 2.24 H new ATOM 0 HA2 GLY A 58 1.986 -14.615 3.315 1.00 13.24 H new ATOM 0 HA3 GLY A 58 1.214 -15.178 4.784 1.00 13.24 H new ATOM 895 N SER A 59 -0.235 -15.633 2.413 1.00 62.13 N ATOM 896 CA SER A 59 -1.347 -15.884 1.459 1.00 42.13 C ATOM 897 C SER A 59 -1.216 -14.965 0.217 1.00 61.30 C ATOM 898 O SER A 59 -1.274 -15.439 -0.924 1.00 25.03 O ATOM 899 CB SER A 59 -2.755 -15.790 2.121 1.00 10.23 C ATOM 900 OG SER A 59 -2.849 -16.663 3.244 1.00 53.30 O ATOM 0 H SER A 59 0.485 -16.354 2.376 1.00 62.13 H new ATOM 0 HA SER A 59 -1.258 -16.918 1.125 1.00 42.13 H new ATOM 0 HB2 SER A 59 -2.945 -14.764 2.436 1.00 10.23 H new ATOM 0 HB3 SER A 59 -3.522 -16.047 1.391 1.00 10.23 H new ATOM 0 HG SER A 59 -3.740 -16.586 3.644 1.00 53.30 H new ATOM 906 N CYS A 60 -1.026 -13.650 0.449 1.00 12.23 N ATOM 907 CA CYS A 60 -0.714 -12.671 -0.614 1.00 31.14 C ATOM 908 C CYS A 60 0.718 -12.881 -1.122 1.00 51.43 C ATOM 909 O CYS A 60 0.974 -12.822 -2.329 1.00 23.23 O ATOM 910 CB CYS A 60 -0.879 -11.232 -0.091 1.00 14.52 C ATOM 911 SG CYS A 60 -0.450 -9.961 -1.302 1.00 55.34 S ATOM 0 H CYS A 60 -1.085 -13.236 1.379 1.00 12.23 H new ATOM 0 HA CYS A 60 -1.411 -12.824 -1.438 1.00 31.14 H new ATOM 0 HB2 CYS A 60 -1.912 -11.086 0.224 1.00 14.52 H new ATOM 0 HB3 CYS A 60 -0.255 -11.103 0.793 1.00 14.52 H new ATOM 0 HG CYS A 60 0.288 -10.483 -2.236 1.00 55.34 H new ATOM 917 N THR A 61 1.650 -13.123 -0.176 1.00 33.41 N ATOM 918 CA THR A 61 3.063 -13.382 -0.490 1.00 13.41 C ATOM 919 C THR A 61 3.287 -14.816 -1.014 1.00 11.15 C ATOM 920 O THR A 61 4.296 -15.078 -1.682 1.00 44.32 O ATOM 921 CB THR A 61 3.970 -13.123 0.752 1.00 45.44 C ATOM 922 OG1 THR A 61 3.476 -13.880 1.862 1.00 5.43 O ATOM 923 CG2 THR A 61 4.027 -11.626 1.127 1.00 44.22 C ATOM 0 H THR A 61 1.441 -13.143 0.822 1.00 33.41 H new ATOM 0 HA THR A 61 3.340 -12.687 -1.283 1.00 13.41 H new ATOM 0 HB THR A 61 4.983 -13.436 0.499 1.00 45.44 H new ATOM 0 HG1 THR A 61 4.044 -13.722 2.645 1.00 5.43 H new ATOM 0 HG21 THR A 61 4.670 -11.493 1.997 1.00 44.22 H new ATOM 0 HG22 THR A 61 4.428 -11.056 0.289 1.00 44.22 H new ATOM 0 HG23 THR A 61 3.023 -11.271 1.360 1.00 44.22 H new ATOM 931 N SER A 62 2.337 -15.730 -0.710 1.00 62.44 N ATOM 932 CA SER A 62 2.408 -17.149 -1.122 1.00 72.30 C ATOM 933 C SER A 62 2.462 -17.288 -2.654 1.00 54.43 C ATOM 934 O SER A 62 3.211 -18.115 -3.191 1.00 35.04 O ATOM 935 CB SER A 62 1.198 -17.926 -0.554 1.00 44.50 C ATOM 936 OG SER A 62 1.160 -17.844 0.859 1.00 11.24 O ATOM 0 H SER A 62 1.500 -15.504 -0.172 1.00 62.44 H new ATOM 0 HA SER A 62 3.328 -17.573 -0.718 1.00 72.30 H new ATOM 0 HB2 SER A 62 0.275 -17.523 -0.970 1.00 44.50 H new ATOM 0 HB3 SER A 62 1.256 -18.971 -0.860 1.00 44.50 H new ATOM 0 HG SER A 62 0.385 -18.341 1.195 1.00 11.24 H new ATOM 942 N CYS A 63 1.680 -16.449 -3.350 1.00 33.13 N ATOM 943 CA CYS A 63 1.646 -16.409 -4.817 1.00 4.14 C ATOM 944 C CYS A 63 2.293 -15.093 -5.314 1.00 4.53 C ATOM 945 O CYS A 63 1.857 -14.000 -4.926 1.00 64.34 O ATOM 946 CB CYS A 63 0.187 -16.566 -5.290 1.00 41.34 C ATOM 947 SG CYS A 63 -0.980 -15.493 -4.425 1.00 25.21 S ATOM 0 H CYS A 63 1.052 -15.778 -2.908 1.00 33.13 H new ATOM 0 HA CYS A 63 2.222 -17.231 -5.241 1.00 4.14 H new ATOM 0 HB2 CYS A 63 0.137 -16.355 -6.358 1.00 41.34 H new ATOM 0 HB3 CYS A 63 -0.119 -17.603 -5.155 1.00 41.34 H new ATOM 0 HG CYS A 63 -0.920 -15.727 -3.148 1.00 25.21 H new ATOM 953 N PRO A 64 3.360 -15.177 -6.180 1.00 4.43 N ATOM 954 CA PRO A 64 4.213 -14.014 -6.534 1.00 22.32 C ATOM 955 C PRO A 64 3.500 -12.953 -7.403 1.00 40.25 C ATOM 956 O PRO A 64 3.838 -11.765 -7.328 1.00 60.04 O ATOM 957 CB PRO A 64 5.413 -14.664 -7.271 1.00 53.23 C ATOM 958 CG PRO A 64 4.860 -15.926 -7.863 1.00 34.12 C ATOM 959 CD PRO A 64 3.814 -16.417 -6.879 1.00 65.10 C ATOM 0 HA PRO A 64 4.502 -13.444 -5.651 1.00 22.32 H new ATOM 0 HB2 PRO A 64 5.807 -14.004 -8.044 1.00 53.23 H new ATOM 0 HB3 PRO A 64 6.232 -14.875 -6.584 1.00 53.23 H new ATOM 0 HG2 PRO A 64 4.419 -15.739 -8.842 1.00 34.12 H new ATOM 0 HG3 PRO A 64 5.645 -16.669 -8.004 1.00 34.12 H new ATOM 0 HD2 PRO A 64 2.988 -16.912 -7.390 1.00 65.10 H new ATOM 0 HD3 PRO A 64 4.234 -17.139 -6.178 1.00 65.10 H new ATOM 967 N SER A 65 2.510 -13.382 -8.215 1.00 0.30 N ATOM 968 CA SER A 65 1.723 -12.462 -9.058 1.00 52.02 C ATOM 969 C SER A 65 0.806 -11.580 -8.188 1.00 14.34 C ATOM 970 O SER A 65 0.605 -10.408 -8.499 1.00 2.13 O ATOM 971 CB SER A 65 0.893 -13.239 -10.104 1.00 13.11 C ATOM 972 OG SER A 65 1.728 -13.992 -10.974 1.00 30.43 O ATOM 0 H SER A 65 2.238 -14.361 -8.303 1.00 0.30 H new ATOM 0 HA SER A 65 2.420 -11.817 -9.592 1.00 52.02 H new ATOM 0 HB2 SER A 65 0.198 -13.907 -9.596 1.00 13.11 H new ATOM 0 HB3 SER A 65 0.294 -12.540 -10.687 1.00 13.11 H new ATOM 0 HG SER A 65 1.174 -14.474 -11.623 1.00 30.43 H new ATOM 978 N SER A 66 0.272 -12.164 -7.087 1.00 65.51 N ATOM 979 CA SER A 66 -0.602 -11.460 -6.127 1.00 11.21 C ATOM 980 C SER A 66 0.155 -10.330 -5.412 1.00 73.11 C ATOM 981 O SER A 66 -0.428 -9.281 -5.133 1.00 31.34 O ATOM 982 CB SER A 66 -1.175 -12.455 -5.094 1.00 44.01 C ATOM 983 OG SER A 66 -1.966 -11.819 -4.099 1.00 61.15 O ATOM 0 H SER A 66 0.438 -13.140 -6.843 1.00 65.51 H new ATOM 0 HA SER A 66 -1.425 -11.015 -6.686 1.00 11.21 H new ATOM 0 HB2 SER A 66 -1.779 -13.201 -5.611 1.00 44.01 H new ATOM 0 HB3 SER A 66 -0.354 -12.987 -4.614 1.00 44.01 H new ATOM 0 HG SER A 66 -1.381 -11.369 -3.454 1.00 61.15 H new ATOM 989 N ILE A 67 1.454 -10.572 -5.119 1.00 14.32 N ATOM 990 CA ILE A 67 2.365 -9.568 -4.531 1.00 23.54 C ATOM 991 C ILE A 67 2.412 -8.298 -5.413 1.00 0.42 C ATOM 992 O ILE A 67 2.176 -7.180 -4.940 1.00 42.02 O ATOM 993 CB ILE A 67 3.830 -10.146 -4.392 1.00 32.00 C ATOM 994 CG1 ILE A 67 3.859 -11.418 -3.486 1.00 44.12 C ATOM 995 CG2 ILE A 67 4.816 -9.074 -3.877 1.00 22.21 C ATOM 996 CD1 ILE A 67 5.233 -12.066 -3.329 1.00 15.22 C ATOM 0 H ILE A 67 1.900 -11.474 -5.286 1.00 14.32 H new ATOM 0 HA ILE A 67 1.982 -9.316 -3.542 1.00 23.54 H new ATOM 0 HB ILE A 67 4.156 -10.442 -5.389 1.00 32.00 H new ATOM 0 HG12 ILE A 67 3.485 -11.151 -2.498 1.00 44.12 H new ATOM 0 HG13 ILE A 67 3.171 -12.156 -3.899 1.00 44.12 H new ATOM 0 HG21 ILE A 67 5.813 -9.507 -3.794 1.00 22.21 H new ATOM 0 HG22 ILE A 67 4.841 -8.237 -4.575 1.00 22.21 H new ATOM 0 HG23 ILE A 67 4.491 -8.721 -2.898 1.00 22.21 H new ATOM 0 HD11 ILE A 67 5.151 -12.940 -2.683 1.00 15.22 H new ATOM 0 HD12 ILE A 67 5.606 -12.371 -4.307 1.00 15.22 H new ATOM 0 HD13 ILE A 67 5.924 -11.350 -2.884 1.00 15.22 H new ATOM 1008 N ILE A 68 2.689 -8.528 -6.706 1.00 65.11 N ATOM 1009 CA ILE A 68 2.927 -7.468 -7.689 1.00 24.30 C ATOM 1010 C ILE A 68 1.618 -6.722 -8.021 1.00 61.22 C ATOM 1011 O ILE A 68 1.598 -5.494 -7.996 1.00 1.33 O ATOM 1012 CB ILE A 68 3.592 -8.058 -8.990 1.00 64.14 C ATOM 1013 CG1 ILE A 68 4.922 -8.801 -8.626 1.00 13.13 C ATOM 1014 CG2 ILE A 68 3.847 -6.951 -10.041 1.00 4.31 C ATOM 1015 CD1 ILE A 68 5.627 -9.467 -9.796 1.00 34.22 C ATOM 0 H ILE A 68 2.754 -9.467 -7.099 1.00 65.11 H new ATOM 0 HA ILE A 68 3.619 -6.746 -7.254 1.00 24.30 H new ATOM 0 HB ILE A 68 2.901 -8.776 -9.432 1.00 64.14 H new ATOM 0 HG12 ILE A 68 5.606 -8.086 -8.168 1.00 13.13 H new ATOM 0 HG13 ILE A 68 4.703 -9.559 -7.874 1.00 13.13 H new ATOM 0 HG21 ILE A 68 4.306 -7.389 -10.927 1.00 4.31 H new ATOM 0 HG22 ILE A 68 2.901 -6.485 -10.316 1.00 4.31 H new ATOM 0 HG23 ILE A 68 4.514 -6.198 -9.622 1.00 4.31 H new ATOM 0 HD11 ILE A 68 6.536 -9.954 -9.443 1.00 34.22 H new ATOM 0 HD12 ILE A 68 4.967 -10.210 -10.243 1.00 34.22 H new ATOM 0 HD13 ILE A 68 5.884 -8.715 -10.542 1.00 34.22 H new ATOM 1027 N THR A 69 0.528 -7.485 -8.271 1.00 40.01 N ATOM 1028 CA THR A 69 -0.799 -6.933 -8.620 1.00 25.24 C ATOM 1029 C THR A 69 -1.338 -6.032 -7.490 1.00 62.32 C ATOM 1030 O THR A 69 -1.858 -4.942 -7.755 1.00 12.34 O ATOM 1031 CB THR A 69 -1.830 -8.081 -8.907 1.00 71.35 C ATOM 1032 OG1 THR A 69 -1.319 -8.959 -9.922 1.00 54.14 O ATOM 1033 CG2 THR A 69 -3.201 -7.539 -9.356 1.00 31.43 C ATOM 0 H THR A 69 0.546 -8.504 -8.236 1.00 40.01 H new ATOM 0 HA THR A 69 -0.674 -6.335 -9.523 1.00 25.24 H new ATOM 0 HB THR A 69 -1.971 -8.622 -7.972 1.00 71.35 H new ATOM 0 HG1 THR A 69 -0.632 -9.541 -9.535 1.00 54.14 H new ATOM 0 HG21 THR A 69 -3.879 -8.372 -9.542 1.00 31.43 H new ATOM 0 HG22 THR A 69 -3.615 -6.903 -8.574 1.00 31.43 H new ATOM 0 HG23 THR A 69 -3.081 -6.958 -10.270 1.00 31.43 H new ATOM 1041 N LEU A 70 -1.178 -6.503 -6.235 1.00 53.25 N ATOM 1042 CA LEU A 70 -1.622 -5.767 -5.044 1.00 1.34 C ATOM 1043 C LEU A 70 -0.839 -4.453 -4.919 1.00 62.43 C ATOM 1044 O LEU A 70 -1.438 -3.385 -4.862 1.00 35.24 O ATOM 1045 CB LEU A 70 -1.438 -6.622 -3.764 1.00 12.14 C ATOM 1046 CG LEU A 70 -1.870 -5.943 -2.427 1.00 32.33 C ATOM 1047 CD1 LEU A 70 -3.359 -5.534 -2.456 1.00 3.33 C ATOM 1048 CD2 LEU A 70 -1.550 -6.845 -1.224 1.00 2.35 C ATOM 0 H LEU A 70 -0.739 -7.400 -6.025 1.00 53.25 H new ATOM 0 HA LEU A 70 -2.683 -5.543 -5.154 1.00 1.34 H new ATOM 0 HB2 LEU A 70 -2.006 -7.545 -3.881 1.00 12.14 H new ATOM 0 HB3 LEU A 70 -0.388 -6.902 -3.685 1.00 12.14 H new ATOM 0 HG LEU A 70 -1.290 -5.027 -2.314 1.00 32.33 H new ATOM 0 HD11 LEU A 70 -3.626 -5.064 -1.509 1.00 3.33 H new ATOM 0 HD12 LEU A 70 -3.527 -4.830 -3.271 1.00 3.33 H new ATOM 0 HD13 LEU A 70 -3.977 -6.419 -2.609 1.00 3.33 H new ATOM 0 HD21 LEU A 70 -1.861 -6.349 -0.304 1.00 2.35 H new ATOM 0 HD22 LEU A 70 -2.084 -7.790 -1.325 1.00 2.35 H new ATOM 0 HD23 LEU A 70 -0.478 -7.037 -1.188 1.00 2.35 H new ATOM 1060 N LYS A 71 0.504 -4.571 -4.933 1.00 51.02 N ATOM 1061 CA LYS A 71 1.436 -3.435 -4.803 1.00 51.12 C ATOM 1062 C LYS A 71 1.193 -2.385 -5.910 1.00 31.03 C ATOM 1063 O LYS A 71 1.299 -1.190 -5.650 1.00 51.31 O ATOM 1064 CB LYS A 71 2.903 -3.982 -4.794 1.00 3.43 C ATOM 1065 CG LYS A 71 4.053 -2.920 -4.765 1.00 41.51 C ATOM 1066 CD LYS A 71 4.512 -2.441 -6.173 1.00 21.44 C ATOM 1067 CE LYS A 71 4.954 -3.603 -7.076 1.00 20.04 C ATOM 1068 NZ LYS A 71 5.493 -3.132 -8.378 1.00 21.35 N ATOM 0 H LYS A 71 0.977 -5.469 -5.036 1.00 51.02 H new ATOM 0 HA LYS A 71 1.262 -2.916 -3.860 1.00 51.12 H new ATOM 0 HB2 LYS A 71 3.018 -4.631 -3.926 1.00 3.43 H new ATOM 0 HB3 LYS A 71 3.038 -4.605 -5.678 1.00 3.43 H new ATOM 0 HG2 LYS A 71 3.720 -2.056 -4.190 1.00 41.51 H new ATOM 0 HG3 LYS A 71 4.910 -3.342 -4.240 1.00 41.51 H new ATOM 0 HD2 LYS A 71 3.695 -1.902 -6.654 1.00 21.44 H new ATOM 0 HD3 LYS A 71 5.337 -1.737 -6.062 1.00 21.44 H new ATOM 0 HE2 LYS A 71 5.714 -4.191 -6.562 1.00 20.04 H new ATOM 0 HE3 LYS A 71 4.106 -4.265 -7.254 1.00 20.04 H new ATOM 0 HZ1 LYS A 71 6.076 -3.881 -8.804 1.00 21.35 H new ATOM 0 HZ2 LYS A 71 4.705 -2.901 -9.017 1.00 21.35 H new ATOM 0 HZ3 LYS A 71 6.076 -2.284 -8.226 1.00 21.35 H new ATOM 1082 N ASN A 72 0.859 -2.858 -7.134 1.00 22.54 N ATOM 1083 CA ASN A 72 0.573 -1.985 -8.296 1.00 73.31 C ATOM 1084 C ASN A 72 -0.767 -1.264 -8.124 1.00 72.05 C ATOM 1085 O ASN A 72 -0.869 -0.089 -8.436 1.00 44.21 O ATOM 1086 CB ASN A 72 0.569 -2.781 -9.634 1.00 21.20 C ATOM 1087 CG ASN A 72 1.949 -3.267 -10.084 1.00 1.35 C ATOM 1088 OD1 ASN A 72 2.978 -2.673 -9.758 1.00 34.30 O ATOM 1089 ND2 ASN A 72 1.975 -4.337 -10.866 1.00 73.11 N ATOM 0 H ASN A 72 0.781 -3.853 -7.343 1.00 22.54 H new ATOM 0 HA ASN A 72 1.374 -1.248 -8.340 1.00 73.31 H new ATOM 0 HB2 ASN A 72 -0.090 -3.643 -9.528 1.00 21.20 H new ATOM 0 HB3 ASN A 72 0.146 -2.151 -10.416 1.00 21.20 H new ATOM 0 HD21 ASN A 72 2.865 -4.691 -11.216 1.00 73.11 H new ATOM 0 HD22 ASN A 72 1.105 -4.806 -11.117 1.00 73.11 H new ATOM 1096 N GLY A 73 -1.786 -1.990 -7.628 1.00 22.11 N ATOM 1097 CA GLY A 73 -3.114 -1.415 -7.387 1.00 41.42 C ATOM 1098 C GLY A 73 -3.067 -0.291 -6.350 1.00 1.11 C ATOM 1099 O GLY A 73 -3.649 0.790 -6.552 1.00 31.23 O ATOM 0 H GLY A 73 -1.710 -2.978 -7.387 1.00 22.11 H new ATOM 0 HA2 GLY A 73 -3.518 -1.029 -8.323 1.00 41.42 H new ATOM 0 HA3 GLY A 73 -3.792 -2.197 -7.045 1.00 41.42 H new ATOM 1103 N ILE A 74 -2.318 -0.556 -5.263 1.00 12.55 N ATOM 1104 CA ILE A 74 -2.047 0.406 -4.187 1.00 53.42 C ATOM 1105 C ILE A 74 -1.233 1.592 -4.734 1.00 43.22 C ATOM 1106 O ILE A 74 -1.504 2.737 -4.394 1.00 40.10 O ATOM 1107 CB ILE A 74 -1.232 -0.258 -3.013 1.00 52.24 C ATOM 1108 CG1 ILE A 74 -1.970 -1.498 -2.418 1.00 4.51 C ATOM 1109 CG2 ILE A 74 -0.924 0.773 -1.906 1.00 55.41 C ATOM 1110 CD1 ILE A 74 -1.144 -2.296 -1.413 1.00 22.52 C ATOM 0 H ILE A 74 -1.878 -1.463 -5.109 1.00 12.55 H new ATOM 0 HA ILE A 74 -3.009 0.747 -3.804 1.00 53.42 H new ATOM 0 HB ILE A 74 -0.290 -0.609 -3.434 1.00 52.24 H new ATOM 0 HG12 ILE A 74 -2.887 -1.163 -1.933 1.00 4.51 H new ATOM 0 HG13 ILE A 74 -2.264 -2.158 -3.234 1.00 4.51 H new ATOM 0 HG21 ILE A 74 -0.361 0.291 -1.107 1.00 55.41 H new ATOM 0 HG22 ILE A 74 -0.335 1.590 -2.323 1.00 55.41 H new ATOM 0 HG23 ILE A 74 -1.858 1.167 -1.505 1.00 55.41 H new ATOM 0 HD11 ILE A 74 -1.730 -3.140 -1.048 1.00 22.52 H new ATOM 0 HD12 ILE A 74 -0.239 -2.665 -1.897 1.00 22.52 H new ATOM 0 HD13 ILE A 74 -0.872 -1.654 -0.575 1.00 22.52 H new ATOM 1122 N GLN A 75 -0.237 1.273 -5.584 1.00 34.13 N ATOM 1123 CA GLN A 75 0.679 2.256 -6.177 1.00 60.14 C ATOM 1124 C GLN A 75 -0.104 3.280 -6.985 1.00 23.00 C ATOM 1125 O GLN A 75 -0.015 4.472 -6.723 1.00 2.25 O ATOM 1126 CB GLN A 75 1.732 1.539 -7.062 1.00 44.32 C ATOM 1127 CG GLN A 75 2.890 2.425 -7.534 1.00 32.41 C ATOM 1128 CD GLN A 75 3.956 1.629 -8.276 1.00 24.21 C ATOM 1129 OE1 GLN A 75 3.939 1.524 -9.503 1.00 44.55 O ATOM 1130 NE2 GLN A 75 4.847 0.997 -7.527 1.00 34.41 N ATOM 0 H GLN A 75 -0.048 0.315 -5.878 1.00 34.13 H new ATOM 0 HA GLN A 75 1.205 2.780 -5.379 1.00 60.14 H new ATOM 0 HB2 GLN A 75 2.142 0.697 -6.504 1.00 44.32 H new ATOM 0 HB3 GLN A 75 1.230 1.126 -7.937 1.00 44.32 H new ATOM 0 HG2 GLN A 75 2.504 3.208 -8.186 1.00 32.41 H new ATOM 0 HG3 GLN A 75 3.341 2.920 -6.674 1.00 32.41 H new ATOM 0 HE21 GLN A 75 4.831 1.107 -6.513 1.00 34.41 H new ATOM 0 HE22 GLN A 75 5.549 0.400 -7.964 1.00 34.41 H new ATOM 1139 N ASN A 76 -0.938 2.770 -7.900 1.00 4.31 N ATOM 1140 CA ASN A 76 -1.758 3.586 -8.796 1.00 61.02 C ATOM 1141 C ASN A 76 -2.796 4.400 -7.998 1.00 50.23 C ATOM 1142 O ASN A 76 -3.119 5.512 -8.384 1.00 50.54 O ATOM 1143 CB ASN A 76 -2.449 2.688 -9.864 1.00 60.40 C ATOM 1144 CG ASN A 76 -1.464 1.879 -10.724 1.00 11.33 C ATOM 1145 OD1 ASN A 76 -0.330 2.293 -10.974 1.00 40.32 O ATOM 1146 ND2 ASN A 76 -1.893 0.711 -11.177 1.00 62.45 N ATOM 0 H ASN A 76 -1.062 1.767 -8.038 1.00 4.31 H new ATOM 0 HA ASN A 76 -1.109 4.293 -9.314 1.00 61.02 H new ATOM 0 HB2 ASN A 76 -3.129 2.000 -9.362 1.00 60.40 H new ATOM 0 HB3 ASN A 76 -3.056 3.316 -10.516 1.00 60.40 H new ATOM 0 HD21 ASN A 76 -1.280 0.129 -11.748 1.00 62.45 H new ATOM 0 HD22 ASN A 76 -2.836 0.393 -10.955 1.00 62.45 H new ATOM 1153 N MET A 77 -3.286 3.835 -6.870 1.00 41.12 N ATOM 1154 CA MET A 77 -4.227 4.525 -5.954 1.00 32.13 C ATOM 1155 C MET A 77 -3.545 5.730 -5.274 1.00 75.45 C ATOM 1156 O MET A 77 -4.071 6.848 -5.283 1.00 41.44 O ATOM 1157 CB MET A 77 -4.737 3.547 -4.862 1.00 12.32 C ATOM 1158 CG MET A 77 -5.737 4.165 -3.865 1.00 31.01 C ATOM 1159 SD MET A 77 -6.028 3.130 -2.411 1.00 25.32 S ATOM 1160 CE MET A 77 -4.424 3.178 -1.607 1.00 34.32 C ATOM 0 H MET A 77 -3.042 2.891 -6.569 1.00 41.12 H new ATOM 0 HA MET A 77 -5.070 4.879 -6.548 1.00 32.13 H new ATOM 0 HB2 MET A 77 -5.209 2.694 -5.349 1.00 12.32 H new ATOM 0 HB3 MET A 77 -3.881 3.164 -4.307 1.00 12.32 H new ATOM 0 HG2 MET A 77 -5.364 5.137 -3.542 1.00 31.01 H new ATOM 0 HG3 MET A 77 -6.685 4.340 -4.373 1.00 31.01 H new ATOM 0 HE1 MET A 77 -4.537 2.919 -0.554 1.00 34.32 H new ATOM 0 HE2 MET A 77 -3.755 2.463 -2.087 1.00 34.32 H new ATOM 0 HE3 MET A 77 -4.005 4.181 -1.691 1.00 34.32 H new ATOM 1170 N LEU A 78 -2.366 5.474 -4.690 1.00 70.34 N ATOM 1171 CA LEU A 78 -1.599 6.475 -3.933 1.00 13.03 C ATOM 1172 C LEU A 78 -1.027 7.566 -4.860 1.00 71.22 C ATOM 1173 O LEU A 78 -0.878 8.699 -4.438 1.00 73.43 O ATOM 1174 CB LEU A 78 -0.467 5.779 -3.122 1.00 2.21 C ATOM 1175 CG LEU A 78 -0.930 4.874 -1.935 1.00 61.25 C ATOM 1176 CD1 LEU A 78 0.262 4.145 -1.290 1.00 55.35 C ATOM 1177 CD2 LEU A 78 -1.705 5.687 -0.878 1.00 4.21 C ATOM 0 H LEU A 78 -1.914 4.560 -4.730 1.00 70.34 H new ATOM 0 HA LEU A 78 -2.276 6.968 -3.235 1.00 13.03 H new ATOM 0 HB2 LEU A 78 0.122 5.171 -3.808 1.00 2.21 H new ATOM 0 HB3 LEU A 78 0.196 6.549 -2.728 1.00 2.21 H new ATOM 0 HG LEU A 78 -1.605 4.123 -2.345 1.00 61.25 H new ATOM 0 HD11 LEU A 78 -0.093 3.524 -0.468 1.00 55.35 H new ATOM 0 HD12 LEU A 78 0.750 3.517 -2.035 1.00 55.35 H new ATOM 0 HD13 LEU A 78 0.974 4.878 -0.910 1.00 55.35 H new ATOM 0 HD21 LEU A 78 -2.013 5.028 -0.066 1.00 4.21 H new ATOM 0 HD22 LEU A 78 -1.064 6.475 -0.483 1.00 4.21 H new ATOM 0 HD23 LEU A 78 -2.587 6.133 -1.337 1.00 4.21 H new ATOM 1189 N GLN A 79 -0.720 7.213 -6.123 1.00 12.43 N ATOM 1190 CA GLN A 79 -0.248 8.186 -7.138 1.00 12.53 C ATOM 1191 C GLN A 79 -1.423 9.012 -7.697 1.00 61.30 C ATOM 1192 O GLN A 79 -1.236 10.143 -8.169 1.00 44.04 O ATOM 1193 CB GLN A 79 0.514 7.475 -8.292 1.00 65.45 C ATOM 1194 CG GLN A 79 1.789 6.735 -7.844 1.00 34.21 C ATOM 1195 CD GLN A 79 2.635 6.224 -9.002 1.00 3.13 C ATOM 1196 OE1 GLN A 79 2.454 5.105 -9.480 1.00 74.11 O ATOM 1197 NE2 GLN A 79 3.563 7.041 -9.469 1.00 2.31 N ATOM 0 H GLN A 79 -0.790 6.256 -6.470 1.00 12.43 H new ATOM 0 HA GLN A 79 0.447 8.865 -6.643 1.00 12.53 H new ATOM 0 HB2 GLN A 79 -0.157 6.762 -8.771 1.00 65.45 H new ATOM 0 HB3 GLN A 79 0.783 8.215 -9.045 1.00 65.45 H new ATOM 0 HG2 GLN A 79 2.392 7.406 -7.232 1.00 34.21 H new ATOM 0 HG3 GLN A 79 1.507 5.893 -7.211 1.00 34.21 H new ATOM 0 HE21 GLN A 79 3.688 7.963 -9.051 1.00 2.31 H new ATOM 0 HE22 GLN A 79 4.154 6.750 -10.248 1.00 2.31 H new ATOM 1206 N PHE A 80 -2.630 8.424 -7.621 1.00 44.10 N ATOM 1207 CA PHE A 80 -3.880 9.037 -8.098 1.00 72.12 C ATOM 1208 C PHE A 80 -4.320 10.165 -7.146 1.00 42.12 C ATOM 1209 O PHE A 80 -4.694 11.251 -7.593 1.00 71.54 O ATOM 1210 CB PHE A 80 -4.967 7.937 -8.199 1.00 32.10 C ATOM 1211 CG PHE A 80 -6.315 8.366 -8.750 1.00 73.33 C ATOM 1212 CD1 PHE A 80 -6.469 8.647 -10.109 1.00 3.30 C ATOM 1213 CD2 PHE A 80 -7.433 8.484 -7.919 1.00 64.14 C ATOM 1214 CE1 PHE A 80 -7.699 9.008 -10.621 1.00 41.32 C ATOM 1215 CE2 PHE A 80 -8.658 8.848 -8.434 1.00 30.10 C ATOM 1216 CZ PHE A 80 -8.789 9.121 -9.781 1.00 22.54 C ATOM 0 H PHE A 80 -2.765 7.496 -7.220 1.00 44.10 H new ATOM 0 HA PHE A 80 -3.725 9.479 -9.082 1.00 72.12 H new ATOM 0 HB2 PHE A 80 -4.582 7.133 -8.827 1.00 32.10 H new ATOM 0 HB3 PHE A 80 -5.122 7.518 -7.205 1.00 32.10 H new ATOM 0 HD1 PHE A 80 -5.616 8.581 -10.767 1.00 3.30 H new ATOM 0 HD2 PHE A 80 -7.335 8.288 -6.861 1.00 64.14 H new ATOM 0 HE1 PHE A 80 -7.809 9.202 -11.678 1.00 41.32 H new ATOM 0 HE2 PHE A 80 -9.517 8.920 -7.783 1.00 30.10 H new ATOM 0 HZ PHE A 80 -9.746 9.424 -10.179 1.00 22.54 H new ATOM 1226 N TYR A 81 -4.272 9.889 -5.828 1.00 53.44 N ATOM 1227 CA TYR A 81 -4.635 10.878 -4.792 1.00 41.10 C ATOM 1228 C TYR A 81 -3.471 11.838 -4.500 1.00 31.12 C ATOM 1229 O TYR A 81 -3.663 13.055 -4.390 1.00 34.12 O ATOM 1230 CB TYR A 81 -5.067 10.162 -3.485 1.00 71.31 C ATOM 1231 CG TYR A 81 -6.380 9.380 -3.602 1.00 24.32 C ATOM 1232 CD1 TYR A 81 -7.600 10.052 -3.748 1.00 14.01 C ATOM 1233 CD2 TYR A 81 -6.413 7.984 -3.558 1.00 24.21 C ATOM 1234 CE1 TYR A 81 -8.789 9.362 -3.843 1.00 1.23 C ATOM 1235 CE2 TYR A 81 -7.605 7.295 -3.655 1.00 42.30 C ATOM 1236 CZ TYR A 81 -8.786 7.986 -3.798 1.00 63.15 C ATOM 1237 OH TYR A 81 -9.974 7.300 -3.902 1.00 31.32 O ATOM 0 H TYR A 81 -3.984 8.985 -5.454 1.00 53.44 H new ATOM 0 HA TYR A 81 -5.472 11.462 -5.174 1.00 41.10 H new ATOM 0 HB2 TYR A 81 -4.275 9.478 -3.180 1.00 71.31 H new ATOM 0 HB3 TYR A 81 -5.169 10.905 -2.694 1.00 71.31 H new ATOM 0 HD1 TYR A 81 -7.609 11.131 -3.787 1.00 14.01 H new ATOM 0 HD2 TYR A 81 -5.490 7.435 -3.446 1.00 24.21 H new ATOM 0 HE1 TYR A 81 -9.720 9.899 -3.952 1.00 1.23 H new ATOM 0 HE2 TYR A 81 -7.611 6.216 -3.619 1.00 42.30 H new ATOM 0 HH TYR A 81 -9.791 6.356 -4.094 1.00 31.32 H new ATOM 1247 N ILE A 82 -2.263 11.268 -4.371 1.00 64.11 N ATOM 1248 CA ILE A 82 -1.070 11.981 -3.878 1.00 42.23 C ATOM 1249 C ILE A 82 -0.025 12.122 -5.008 1.00 12.50 C ATOM 1250 O ILE A 82 0.425 11.112 -5.560 1.00 72.52 O ATOM 1251 CB ILE A 82 -0.423 11.209 -2.672 1.00 64.51 C ATOM 1252 CG1 ILE A 82 -1.492 10.864 -1.587 1.00 73.15 C ATOM 1253 CG2 ILE A 82 0.756 12.003 -2.069 1.00 33.03 C ATOM 1254 CD1 ILE A 82 -1.010 9.917 -0.509 1.00 22.31 C ATOM 0 H ILE A 82 -2.083 10.292 -4.607 1.00 64.11 H new ATOM 0 HA ILE A 82 -1.382 12.971 -3.544 1.00 42.23 H new ATOM 0 HB ILE A 82 -0.024 10.269 -3.053 1.00 64.51 H new ATOM 0 HG12 ILE A 82 -1.826 11.789 -1.117 1.00 73.15 H new ATOM 0 HG13 ILE A 82 -2.360 10.424 -2.078 1.00 73.15 H new ATOM 0 HG21 ILE A 82 1.183 11.444 -1.237 1.00 33.03 H new ATOM 0 HG22 ILE A 82 1.519 12.157 -2.832 1.00 33.03 H new ATOM 0 HG23 ILE A 82 0.399 12.969 -1.712 1.00 33.03 H new ATOM 0 HD11 ILE A 82 -1.816 9.733 0.201 1.00 22.31 H new ATOM 0 HD12 ILE A 82 -0.704 8.974 -0.963 1.00 22.31 H new ATOM 0 HD13 ILE A 82 -0.162 10.361 0.012 1.00 22.31 H new ATOM 1266 N PRO A 83 0.381 13.382 -5.370 1.00 43.14 N ATOM 1267 CA PRO A 83 1.465 13.631 -6.362 1.00 64.52 C ATOM 1268 C PRO A 83 2.863 13.186 -5.863 1.00 33.44 C ATOM 1269 O PRO A 83 3.738 12.865 -6.675 1.00 55.44 O ATOM 1270 CB PRO A 83 1.400 15.170 -6.574 1.00 53.22 C ATOM 1271 CG PRO A 83 0.813 15.693 -5.297 1.00 15.20 C ATOM 1272 CD PRO A 83 -0.207 14.663 -4.873 1.00 33.41 C ATOM 0 HA PRO A 83 1.322 13.056 -7.277 1.00 64.52 H new ATOM 0 HB2 PRO A 83 2.389 15.589 -6.758 1.00 53.22 H new ATOM 0 HB3 PRO A 83 0.780 15.428 -7.432 1.00 53.22 H new ATOM 0 HG2 PRO A 83 1.582 15.822 -4.535 1.00 15.20 H new ATOM 0 HG3 PRO A 83 0.348 16.667 -5.448 1.00 15.20 H new ATOM 0 HD2 PRO A 83 -0.343 14.652 -3.792 1.00 33.41 H new ATOM 0 HD3 PRO A 83 -1.184 14.857 -5.315 1.00 33.41 H new ATOM 1280 N GLU A 84 3.059 13.162 -4.528 1.00 33.20 N ATOM 1281 CA GLU A 84 4.371 12.864 -3.903 1.00 62.10 C ATOM 1282 C GLU A 84 4.791 11.399 -4.105 1.00 73.21 C ATOM 1283 O GLU A 84 5.984 11.096 -4.178 1.00 50.11 O ATOM 1284 CB GLU A 84 4.343 13.212 -2.389 1.00 34.12 C ATOM 1285 CG GLU A 84 3.830 14.629 -2.072 1.00 33.34 C ATOM 1286 CD GLU A 84 4.590 15.741 -2.824 1.00 70.33 C ATOM 1287 OE1 GLU A 84 5.779 15.964 -2.527 1.00 11.13 O ATOM 1288 OE2 GLU A 84 3.995 16.409 -3.698 1.00 4.22 O ATOM 0 H GLU A 84 2.317 13.347 -3.853 1.00 33.20 H new ATOM 0 HA GLU A 84 5.114 13.487 -4.401 1.00 62.10 H new ATOM 0 HB2 GLU A 84 3.713 12.487 -1.873 1.00 34.12 H new ATOM 0 HB3 GLU A 84 5.350 13.104 -1.985 1.00 34.12 H new ATOM 0 HG2 GLU A 84 2.771 14.689 -2.325 1.00 33.34 H new ATOM 0 HG3 GLU A 84 3.912 14.805 -0.999 1.00 33.34 H new ATOM 1295 N VAL A 85 3.801 10.495 -4.171 1.00 51.53 N ATOM 1296 CA VAL A 85 4.039 9.067 -4.400 1.00 22.35 C ATOM 1297 C VAL A 85 4.526 8.846 -5.845 1.00 15.12 C ATOM 1298 O VAL A 85 3.764 8.979 -6.802 1.00 74.30 O ATOM 1299 CB VAL A 85 2.759 8.210 -4.110 1.00 72.33 C ATOM 1300 CG1 VAL A 85 3.017 6.704 -4.369 1.00 43.43 C ATOM 1301 CG2 VAL A 85 2.249 8.449 -2.668 1.00 72.25 C ATOM 0 H VAL A 85 2.815 10.736 -4.067 1.00 51.53 H new ATOM 0 HA VAL A 85 4.811 8.736 -3.705 1.00 22.35 H new ATOM 0 HB VAL A 85 1.980 8.533 -4.801 1.00 72.33 H new ATOM 0 HG11 VAL A 85 2.110 6.138 -4.158 1.00 43.43 H new ATOM 0 HG12 VAL A 85 3.302 6.558 -5.411 1.00 43.43 H new ATOM 0 HG13 VAL A 85 3.821 6.356 -3.720 1.00 43.43 H new ATOM 0 HG21 VAL A 85 1.360 7.843 -2.491 1.00 72.25 H new ATOM 0 HG22 VAL A 85 3.026 8.170 -1.956 1.00 72.25 H new ATOM 0 HG23 VAL A 85 2.001 9.503 -2.540 1.00 72.25 H new ATOM 1311 N GLU A 86 5.831 8.607 -5.966 1.00 1.21 N ATOM 1312 CA GLU A 86 6.505 8.288 -7.236 1.00 73.12 C ATOM 1313 C GLU A 86 6.542 6.764 -7.473 1.00 53.42 C ATOM 1314 O GLU A 86 6.697 6.297 -8.612 1.00 42.12 O ATOM 1315 CB GLU A 86 7.933 8.882 -7.196 1.00 11.35 C ATOM 1316 CG GLU A 86 7.969 10.408 -6.969 1.00 62.02 C ATOM 1317 CD GLU A 86 9.398 10.957 -6.849 1.00 3.05 C ATOM 1318 OE1 GLU A 86 10.084 11.078 -7.884 1.00 41.23 O ATOM 1319 OE2 GLU A 86 9.848 11.248 -5.719 1.00 5.03 O ATOM 0 H GLU A 86 6.468 8.629 -5.170 1.00 1.21 H new ATOM 0 HA GLU A 86 5.952 8.726 -8.067 1.00 73.12 H new ATOM 0 HB2 GLU A 86 8.497 8.393 -6.402 1.00 11.35 H new ATOM 0 HB3 GLU A 86 8.438 8.652 -8.134 1.00 11.35 H new ATOM 0 HG2 GLU A 86 7.461 10.906 -7.795 1.00 62.02 H new ATOM 0 HG3 GLU A 86 7.414 10.649 -6.062 1.00 62.02 H new ATOM 1326 N GLY A 87 6.396 5.999 -6.381 1.00 32.45 N ATOM 1327 CA GLY A 87 6.379 4.543 -6.440 1.00 42.44 C ATOM 1328 C GLY A 87 6.005 3.921 -5.105 1.00 31.14 C ATOM 1329 O GLY A 87 5.800 4.631 -4.112 1.00 22.42 O ATOM 0 H GLY A 87 6.287 6.377 -5.440 1.00 32.45 H new ATOM 0 HA2 GLY A 87 5.669 4.220 -7.202 1.00 42.44 H new ATOM 0 HA3 GLY A 87 7.361 4.182 -6.745 1.00 42.44 H new ATOM 1333 N VAL A 88 5.901 2.583 -5.102 1.00 13.30 N ATOM 1334 CA VAL A 88 5.587 1.760 -3.909 1.00 51.43 C ATOM 1335 C VAL A 88 6.449 0.491 -3.985 1.00 44.22 C ATOM 1336 O VAL A 88 6.601 -0.086 -5.069 1.00 5.12 O ATOM 1337 CB VAL A 88 4.048 1.365 -3.824 1.00 15.44 C ATOM 1338 CG1 VAL A 88 3.756 0.350 -2.687 1.00 14.41 C ATOM 1339 CG2 VAL A 88 3.155 2.614 -3.658 1.00 63.43 C ATOM 0 H VAL A 88 6.035 2.024 -5.945 1.00 13.30 H new ATOM 0 HA VAL A 88 5.804 2.341 -3.013 1.00 51.43 H new ATOM 0 HB VAL A 88 3.807 0.880 -4.770 1.00 15.44 H new ATOM 0 HG11 VAL A 88 2.692 0.115 -2.674 1.00 14.41 H new ATOM 0 HG12 VAL A 88 4.327 -0.562 -2.858 1.00 14.41 H new ATOM 0 HG13 VAL A 88 4.044 0.784 -1.729 1.00 14.41 H new ATOM 0 HG21 VAL A 88 2.110 2.309 -3.603 1.00 63.43 H new ATOM 0 HG22 VAL A 88 3.429 3.138 -2.742 1.00 63.43 H new ATOM 0 HG23 VAL A 88 3.295 3.278 -4.511 1.00 63.43 H new ATOM 1349 N GLU A 89 7.011 0.067 -2.844 1.00 53.21 N ATOM 1350 CA GLU A 89 7.869 -1.126 -2.760 1.00 10.34 C ATOM 1351 C GLU A 89 7.389 -2.033 -1.614 1.00 33.12 C ATOM 1352 O GLU A 89 6.893 -1.540 -0.595 1.00 13.14 O ATOM 1353 CB GLU A 89 9.349 -0.703 -2.544 1.00 52.01 C ATOM 1354 CG GLU A 89 10.354 -1.875 -2.527 1.00 52.34 C ATOM 1355 CD GLU A 89 11.810 -1.421 -2.347 1.00 63.41 C ATOM 1356 OE1 GLU A 89 12.447 -1.020 -3.351 1.00 34.44 O ATOM 1357 OE2 GLU A 89 12.318 -1.457 -1.206 1.00 13.23 O ATOM 0 H GLU A 89 6.884 0.542 -1.951 1.00 53.21 H new ATOM 0 HA GLU A 89 7.804 -1.683 -3.695 1.00 10.34 H new ATOM 0 HB2 GLU A 89 9.634 -0.008 -3.334 1.00 52.01 H new ATOM 0 HB3 GLU A 89 9.425 -0.162 -1.601 1.00 52.01 H new ATOM 0 HG2 GLU A 89 10.091 -2.559 -1.720 1.00 52.34 H new ATOM 0 HG3 GLU A 89 10.267 -2.433 -3.459 1.00 52.34 H new ATOM 1364 N GLN A 90 7.544 -3.353 -1.798 1.00 21.34 N ATOM 1365 CA GLN A 90 7.284 -4.344 -0.751 1.00 13.25 C ATOM 1366 C GLN A 90 8.541 -4.460 0.122 1.00 74.14 C ATOM 1367 O GLN A 90 9.608 -4.847 -0.371 1.00 51.35 O ATOM 1368 CB GLN A 90 6.961 -5.732 -1.367 1.00 12.54 C ATOM 1369 CG GLN A 90 6.745 -6.857 -0.320 1.00 75.35 C ATOM 1370 CD GLN A 90 6.736 -8.270 -0.908 1.00 23.40 C ATOM 1371 OE1 GLN A 90 7.399 -8.546 -1.907 1.00 64.04 O ATOM 1372 NE2 GLN A 90 5.991 -9.179 -0.289 1.00 75.42 N ATOM 0 H GLN A 90 7.854 -3.761 -2.680 1.00 21.34 H new ATOM 0 HA GLN A 90 6.425 -4.025 -0.160 1.00 13.25 H new ATOM 0 HB2 GLN A 90 6.064 -5.645 -1.981 1.00 12.54 H new ATOM 0 HB3 GLN A 90 7.775 -6.021 -2.031 1.00 12.54 H new ATOM 0 HG2 GLN A 90 7.532 -6.794 0.432 1.00 75.35 H new ATOM 0 HG3 GLN A 90 5.799 -6.683 0.193 1.00 75.35 H new ATOM 0 HE21 GLN A 90 5.452 -8.920 0.537 1.00 75.42 H new ATOM 0 HE22 GLN A 90 5.958 -10.136 -0.640 1.00 75.42 H new ATOM 1381 N VAL A 91 8.416 -4.081 1.394 1.00 64.13 N ATOM 1382 CA VAL A 91 9.483 -4.223 2.386 1.00 70.35 C ATOM 1383 C VAL A 91 9.064 -5.257 3.441 1.00 71.35 C ATOM 1384 O VAL A 91 8.040 -5.099 4.110 1.00 31.23 O ATOM 1385 CB VAL A 91 9.830 -2.841 3.061 1.00 45.44 C ATOM 1386 CG1 VAL A 91 10.508 -1.892 2.045 1.00 64.12 C ATOM 1387 CG2 VAL A 91 8.594 -2.154 3.689 1.00 62.34 C ATOM 0 H VAL A 91 7.564 -3.663 1.768 1.00 64.13 H new ATOM 0 HA VAL A 91 10.385 -4.569 1.881 1.00 70.35 H new ATOM 0 HB VAL A 91 10.524 -3.057 3.873 1.00 45.44 H new ATOM 0 HG11 VAL A 91 10.739 -0.944 2.531 1.00 64.12 H new ATOM 0 HG12 VAL A 91 11.429 -2.347 1.681 1.00 64.12 H new ATOM 0 HG13 VAL A 91 9.834 -1.715 1.207 1.00 64.12 H new ATOM 0 HG21 VAL A 91 8.893 -1.207 4.139 1.00 62.34 H new ATOM 0 HG22 VAL A 91 7.849 -1.969 2.916 1.00 62.34 H new ATOM 0 HG23 VAL A 91 8.168 -2.801 4.456 1.00 62.34 H new