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 75 GLN : amide:sc= -1.4 X(o=-1.6,f=-1.1) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.148 X(o=-1.6,f=-1.7) USER MOD Set 2.1: A 63 CYS SG : rot 180:sc= 1.18 USER MOD Set 2.2: A 66 SER OG : rot 130:sc= 1.28 USER MOD Set 3.1: A 61 THR OG1 : rot -39:sc= -0.0759 USER MOD Set 3.2: A 90 GLN : amide:sc= -0.822 K(o=-0.9,f=1.3) USER MOD Single : A 22 MET CE :methyl -159:sc= -0.172 (180deg=-0.682) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -75:sc= 1.26 USER MOD Single : A 34 THR OG1 : rot 87:sc= 0.74 USER MOD Single : A 36 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.2) USER MOD Single : A 44 TYR OH : rot 69:sc= -1.78! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.921 X(o=-0.92,f=-0.78) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -52:sc= -1.58 USER MOD Single : A 62 SER OG : rot 180:sc= 0.219 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 93:sc= 0.459 USER MOD Single : A 71 LYS NZ :NH3+ -173:sc=-0.00248 (180deg=-0.07) USER MOD Single : A 72 ASN : amide:sc= -0.193 K(o=-0.19,f=-0.88) USER MOD Single : A 76 ASN : amide:sc= 0.0487 X(o=0.049,f=-0.15) USER MOD Single : A 77 MET CE :methyl 166:sc= -2.15 (180deg=-2.63!) USER MOD Single : A 81 TYR OH : rot 100:sc= -0.724 USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.283 15.013 6.690 1.00 75.32 N ATOM 242 CA ASP A 17 3.648 13.934 7.470 1.00 44.35 C ATOM 243 C ASP A 17 2.119 13.942 7.290 1.00 20.11 C ATOM 244 O ASP A 17 1.449 12.981 7.665 1.00 35.14 O ATOM 245 CB ASP A 17 4.037 14.064 8.961 1.00 0.11 C ATOM 246 CG ASP A 17 3.503 15.355 9.613 1.00 50.20 C ATOM 247 OD1 ASP A 17 3.965 16.445 9.234 1.00 41.01 O ATOM 248 OD2 ASP A 17 2.614 15.286 10.495 1.00 55.44 O ATOM 0 HA ASP A 17 4.011 12.976 7.098 1.00 44.35 H new ATOM 0 HB2 ASP A 17 3.653 13.202 9.507 1.00 0.11 H new ATOM 0 HB3 ASP A 17 5.123 14.041 9.051 1.00 0.11 H new ATOM 253 N GLY A 18 1.584 15.043 6.724 1.00 1.33 N ATOM 254 CA GLY A 18 0.186 15.096 6.292 1.00 2.14 C ATOM 255 C GLY A 18 -0.076 14.116 5.156 1.00 23.20 C ATOM 256 O GLY A 18 -1.121 13.458 5.124 1.00 32.44 O ATOM 0 H GLY A 18 2.105 15.904 6.558 1.00 1.33 H new ATOM 0 HA2 GLY A 18 -0.467 14.864 7.134 1.00 2.14 H new ATOM 0 HA3 GLY A 18 -0.059 16.107 5.967 1.00 2.14 H new ATOM 260 N VAL A 19 0.915 14.011 4.237 1.00 2.51 N ATOM 261 CA VAL A 19 0.921 13.006 3.161 1.00 10.11 C ATOM 262 C VAL A 19 0.977 11.586 3.767 1.00 13.22 C ATOM 263 O VAL A 19 0.174 10.732 3.417 1.00 61.41 O ATOM 264 CB VAL A 19 2.127 13.224 2.175 1.00 52.20 C ATOM 265 CG1 VAL A 19 2.197 12.125 1.089 1.00 3.31 C ATOM 266 CG2 VAL A 19 2.088 14.637 1.542 1.00 0.42 C ATOM 0 H VAL A 19 1.730 14.624 4.226 1.00 2.51 H new ATOM 0 HA VAL A 19 0.000 13.119 2.589 1.00 10.11 H new ATOM 0 HB VAL A 19 3.039 13.147 2.766 1.00 52.20 H new ATOM 0 HG11 VAL A 19 3.045 12.317 0.431 1.00 3.31 H new ATOM 0 HG12 VAL A 19 2.319 11.151 1.564 1.00 3.31 H new ATOM 0 HG13 VAL A 19 1.276 12.131 0.505 1.00 3.31 H new ATOM 0 HG21 VAL A 19 2.935 14.756 0.866 1.00 0.42 H new ATOM 0 HG22 VAL A 19 1.159 14.761 0.986 1.00 0.42 H new ATOM 0 HG23 VAL A 19 2.143 15.390 2.328 1.00 0.42 H new ATOM 276 N VAL A 20 1.914 11.379 4.718 1.00 50.32 N ATOM 277 CA VAL A 20 2.090 10.095 5.435 1.00 52.12 C ATOM 278 C VAL A 20 0.780 9.645 6.126 1.00 44.20 C ATOM 279 O VAL A 20 0.381 8.480 6.018 1.00 63.15 O ATOM 280 CB VAL A 20 3.262 10.223 6.487 1.00 42.33 C ATOM 281 CG1 VAL A 20 3.342 9.008 7.447 1.00 73.11 C ATOM 282 CG2 VAL A 20 4.614 10.471 5.764 1.00 33.32 C ATOM 0 H VAL A 20 2.573 12.100 5.012 1.00 50.32 H new ATOM 0 HA VAL A 20 2.350 9.330 4.704 1.00 52.12 H new ATOM 0 HB VAL A 20 3.041 11.087 7.114 1.00 42.33 H new ATOM 0 HG11 VAL A 20 4.165 9.151 8.147 1.00 73.11 H new ATOM 0 HG12 VAL A 20 2.407 8.919 8.000 1.00 73.11 H new ATOM 0 HG13 VAL A 20 3.511 8.099 6.870 1.00 73.11 H new ATOM 0 HG21 VAL A 20 5.411 10.557 6.502 1.00 33.32 H new ATOM 0 HG22 VAL A 20 4.827 9.637 5.095 1.00 33.32 H new ATOM 0 HG23 VAL A 20 4.554 11.393 5.186 1.00 33.32 H new ATOM 292 N ALA A 21 0.100 10.607 6.775 1.00 45.23 N ATOM 293 CA ALA A 21 -1.133 10.354 7.542 1.00 51.55 C ATOM 294 C ALA A 21 -2.303 9.959 6.630 1.00 72.11 C ATOM 295 O ALA A 21 -3.063 9.038 6.953 1.00 42.45 O ATOM 296 CB ALA A 21 -1.499 11.592 8.375 1.00 55.44 C ATOM 0 H ALA A 21 0.391 11.585 6.782 1.00 45.23 H new ATOM 0 HA ALA A 21 -0.942 9.514 8.210 1.00 51.55 H new ATOM 0 HB1 ALA A 21 -2.411 11.395 8.938 1.00 55.44 H new ATOM 0 HB2 ALA A 21 -0.687 11.818 9.067 1.00 55.44 H new ATOM 0 HB3 ALA A 21 -1.658 12.442 7.712 1.00 55.44 H new ATOM 302 N MET A 22 -2.443 10.664 5.484 1.00 62.32 N ATOM 303 CA MET A 22 -3.529 10.377 4.524 1.00 44.25 C ATOM 304 C MET A 22 -3.228 9.094 3.718 1.00 54.24 C ATOM 305 O MET A 22 -4.147 8.458 3.221 1.00 13.15 O ATOM 306 CB MET A 22 -3.823 11.580 3.585 1.00 53.11 C ATOM 307 CG MET A 22 -2.715 11.934 2.593 1.00 52.14 C ATOM 308 SD MET A 22 -3.165 13.279 1.471 1.00 61.30 S ATOM 309 CE MET A 22 -4.565 12.565 0.601 1.00 22.11 C ATOM 0 H MET A 22 -1.825 11.426 5.205 1.00 62.32 H new ATOM 0 HA MET A 22 -4.435 10.209 5.106 1.00 44.25 H new ATOM 0 HB2 MET A 22 -4.732 11.365 3.024 1.00 53.11 H new ATOM 0 HB3 MET A 22 -4.028 12.456 4.201 1.00 53.11 H new ATOM 0 HG2 MET A 22 -1.818 12.215 3.145 1.00 52.14 H new ATOM 0 HG3 MET A 22 -2.465 11.050 2.007 1.00 52.14 H new ATOM 0 HE1 MET A 22 -4.712 13.089 -0.343 1.00 22.11 H new ATOM 0 HE2 MET A 22 -4.372 11.510 0.404 1.00 22.11 H new ATOM 0 HE3 MET A 22 -5.462 12.661 1.213 1.00 22.11 H new ATOM 319 N ILE A 23 -1.933 8.709 3.613 1.00 51.34 N ATOM 320 CA ILE A 23 -1.542 7.388 3.073 1.00 5.33 C ATOM 321 C ILE A 23 -2.041 6.294 4.038 1.00 31.12 C ATOM 322 O ILE A 23 -2.675 5.337 3.606 1.00 13.11 O ATOM 323 CB ILE A 23 0.025 7.253 2.836 1.00 24.31 C ATOM 324 CG1 ILE A 23 0.501 8.181 1.673 1.00 11.11 C ATOM 325 CG2 ILE A 23 0.436 5.787 2.550 1.00 62.10 C ATOM 326 CD1 ILE A 23 2.001 8.181 1.413 1.00 54.12 C ATOM 0 H ILE A 23 -1.146 9.293 3.894 1.00 51.34 H new ATOM 0 HA ILE A 23 -2.005 7.274 2.093 1.00 5.33 H new ATOM 0 HB ILE A 23 0.515 7.569 3.757 1.00 24.31 H new ATOM 0 HG12 ILE A 23 -0.010 7.880 0.758 1.00 11.11 H new ATOM 0 HG13 ILE A 23 0.187 9.201 1.893 1.00 11.11 H new ATOM 0 HG21 ILE A 23 1.513 5.735 2.393 1.00 62.10 H new ATOM 0 HG22 ILE A 23 0.162 5.160 3.399 1.00 62.10 H new ATOM 0 HG23 ILE A 23 -0.078 5.433 1.656 1.00 62.10 H new ATOM 0 HD11 ILE A 23 2.227 8.856 0.588 1.00 54.12 H new ATOM 0 HD12 ILE A 23 2.525 8.514 2.309 1.00 54.12 H new ATOM 0 HD13 ILE A 23 2.326 7.173 1.156 1.00 54.12 H new ATOM 338 N LYS A 24 -1.805 6.507 5.357 1.00 14.50 N ATOM 339 CA LYS A 24 -2.229 5.575 6.426 1.00 62.12 C ATOM 340 C LYS A 24 -3.747 5.324 6.394 1.00 50.52 C ATOM 341 O LYS A 24 -4.182 4.176 6.548 1.00 54.34 O ATOM 342 CB LYS A 24 -1.830 6.117 7.822 1.00 64.14 C ATOM 343 CG LYS A 24 -0.319 6.144 8.095 1.00 41.53 C ATOM 344 CD LYS A 24 0.009 6.717 9.493 1.00 30.32 C ATOM 345 CE LYS A 24 1.505 6.686 9.811 1.00 42.15 C ATOM 346 NZ LYS A 24 1.795 7.249 11.153 1.00 64.22 N ATOM 0 H LYS A 24 -1.315 7.331 5.707 1.00 14.50 H new ATOM 0 HA LYS A 24 -1.717 4.630 6.243 1.00 62.12 H new ATOM 0 HB2 LYS A 24 -2.222 7.128 7.929 1.00 64.14 H new ATOM 0 HB3 LYS A 24 -2.312 5.506 8.585 1.00 64.14 H new ATOM 0 HG2 LYS A 24 0.082 5.133 8.015 1.00 41.53 H new ATOM 0 HG3 LYS A 24 0.176 6.745 7.332 1.00 41.53 H new ATOM 0 HD2 LYS A 24 -0.349 7.745 9.552 1.00 30.32 H new ATOM 0 HD3 LYS A 24 -0.530 6.147 10.250 1.00 30.32 H new ATOM 0 HE2 LYS A 24 1.866 5.659 9.762 1.00 42.15 H new ATOM 0 HE3 LYS A 24 2.049 7.251 9.054 1.00 42.15 H new ATOM 0 HZ1 LYS A 24 2.819 7.211 11.332 1.00 64.22 H new ATOM 0 HZ2 LYS A 24 1.474 8.237 11.192 1.00 64.22 H new ATOM 0 HZ3 LYS A 24 1.296 6.694 11.877 1.00 64.22 H new ATOM 360 N GLU A 25 -4.541 6.402 6.188 1.00 0.11 N ATOM 361 CA GLU A 25 -6.008 6.286 6.163 1.00 61.31 C ATOM 362 C GLU A 25 -6.440 5.511 4.904 1.00 62.22 C ATOM 363 O GLU A 25 -7.201 4.571 5.011 1.00 0.43 O ATOM 364 CB GLU A 25 -6.725 7.681 6.266 1.00 53.21 C ATOM 365 CG GLU A 25 -6.869 8.465 4.946 1.00 54.44 C ATOM 366 CD GLU A 25 -7.557 9.829 5.091 1.00 43.32 C ATOM 367 OE1 GLU A 25 -6.904 10.795 5.531 1.00 23.44 O ATOM 368 OE2 GLU A 25 -8.752 9.943 4.745 1.00 31.44 O ATOM 0 H GLU A 25 -4.190 7.348 6.039 1.00 0.11 H new ATOM 0 HA GLU A 25 -6.321 5.729 7.046 1.00 61.31 H new ATOM 0 HB2 GLU A 25 -7.720 7.526 6.684 1.00 53.21 H new ATOM 0 HB3 GLU A 25 -6.174 8.299 6.975 1.00 53.21 H new ATOM 0 HG2 GLU A 25 -5.878 8.615 4.517 1.00 54.44 H new ATOM 0 HG3 GLU A 25 -7.435 7.860 4.238 1.00 54.44 H new ATOM 375 N LEU A 26 -5.860 5.867 3.724 1.00 65.23 N ATOM 376 CA LEU A 26 -6.223 5.255 2.425 1.00 32.45 C ATOM 377 C LEU A 26 -5.892 3.755 2.397 1.00 3.54 C ATOM 378 O LEU A 26 -6.589 2.966 1.742 1.00 20.03 O ATOM 379 CB LEU A 26 -5.504 5.996 1.259 1.00 32.14 C ATOM 380 CG LEU A 26 -5.987 7.451 0.955 1.00 24.01 C ATOM 381 CD1 LEU A 26 -5.088 8.129 -0.102 1.00 72.30 C ATOM 382 CD2 LEU A 26 -7.478 7.466 0.546 1.00 61.24 C ATOM 0 H LEU A 26 -5.135 6.580 3.652 1.00 65.23 H new ATOM 0 HA LEU A 26 -7.301 5.357 2.296 1.00 32.45 H new ATOM 0 HB2 LEU A 26 -4.438 6.030 1.482 1.00 32.14 H new ATOM 0 HB3 LEU A 26 -5.621 5.401 0.353 1.00 32.14 H new ATOM 0 HG LEU A 26 -5.898 8.036 1.870 1.00 24.01 H new ATOM 0 HD11 LEU A 26 -5.449 9.140 -0.292 1.00 72.30 H new ATOM 0 HD12 LEU A 26 -4.063 8.173 0.266 1.00 72.30 H new ATOM 0 HD13 LEU A 26 -5.116 7.553 -1.027 1.00 72.30 H new ATOM 0 HD21 LEU A 26 -7.789 8.490 0.340 1.00 61.24 H new ATOM 0 HD22 LEU A 26 -7.616 6.858 -0.348 1.00 61.24 H new ATOM 0 HD23 LEU A 26 -8.082 7.060 1.357 1.00 61.24 H new ATOM 394 N LEU A 27 -4.827 3.374 3.119 1.00 64.23 N ATOM 395 CA LEU A 27 -4.451 1.970 3.304 1.00 55.54 C ATOM 396 C LEU A 27 -5.473 1.279 4.213 1.00 65.43 C ATOM 397 O LEU A 27 -6.123 0.331 3.806 1.00 62.34 O ATOM 398 CB LEU A 27 -3.030 1.856 3.911 1.00 54.40 C ATOM 399 CG LEU A 27 -1.871 2.398 3.022 1.00 60.55 C ATOM 400 CD1 LEU A 27 -0.544 2.393 3.793 1.00 32.23 C ATOM 401 CD2 LEU A 27 -1.763 1.615 1.699 1.00 41.40 C ATOM 0 H LEU A 27 -4.205 4.032 3.589 1.00 64.23 H new ATOM 0 HA LEU A 27 -4.444 1.479 2.331 1.00 55.54 H new ATOM 0 HB2 LEU A 27 -3.016 2.391 4.860 1.00 54.40 H new ATOM 0 HB3 LEU A 27 -2.833 0.807 4.134 1.00 54.40 H new ATOM 0 HG LEU A 27 -2.101 3.432 2.764 1.00 60.55 H new ATOM 0 HD11 LEU A 27 0.251 2.775 3.152 1.00 32.23 H new ATOM 0 HD12 LEU A 27 -0.634 3.025 4.676 1.00 32.23 H new ATOM 0 HD13 LEU A 27 -0.305 1.375 4.099 1.00 32.23 H new ATOM 0 HD21 LEU A 27 -0.945 2.019 1.103 1.00 41.40 H new ATOM 0 HD22 LEU A 27 -1.571 0.564 1.913 1.00 41.40 H new ATOM 0 HD23 LEU A 27 -2.696 1.708 1.144 1.00 41.40 H new ATOM 413 N ASP A 28 -5.663 1.830 5.419 1.00 12.42 N ATOM 414 CA ASP A 28 -6.423 1.164 6.493 1.00 75.33 C ATOM 415 C ASP A 28 -7.912 1.027 6.133 1.00 74.22 C ATOM 416 O ASP A 28 -8.537 0.022 6.462 1.00 10.21 O ATOM 417 CB ASP A 28 -6.257 1.927 7.836 1.00 0.24 C ATOM 418 CG ASP A 28 -6.659 1.092 9.073 1.00 23.43 C ATOM 419 OD1 ASP A 28 -7.867 0.921 9.335 1.00 35.13 O ATOM 420 OD2 ASP A 28 -5.757 0.612 9.796 1.00 21.40 O ATOM 0 H ASP A 28 -5.297 2.746 5.680 1.00 12.42 H new ATOM 0 HA ASP A 28 -6.016 0.159 6.608 1.00 75.33 H new ATOM 0 HB2 ASP A 28 -5.218 2.240 7.941 1.00 0.24 H new ATOM 0 HB3 ASP A 28 -6.862 2.833 7.807 1.00 0.24 H new ATOM 425 N THR A 29 -8.454 2.031 5.448 1.00 23.32 N ATOM 426 CA THR A 29 -9.885 2.099 5.121 1.00 43.35 C ATOM 427 C THR A 29 -10.217 1.278 3.859 1.00 24.44 C ATOM 428 O THR A 29 -11.248 0.600 3.808 1.00 54.32 O ATOM 429 CB THR A 29 -10.334 3.590 4.940 1.00 1.51 C ATOM 430 OG1 THR A 29 -9.601 4.213 3.869 1.00 60.53 O ATOM 431 CG2 THR A 29 -10.137 4.396 6.242 1.00 34.44 C ATOM 0 H THR A 29 -7.916 2.825 5.101 1.00 23.32 H new ATOM 0 HA THR A 29 -10.437 1.663 5.954 1.00 43.35 H new ATOM 0 HB THR A 29 -11.396 3.586 4.693 1.00 1.51 H new ATOM 0 HG1 THR A 29 -8.691 4.416 4.170 1.00 60.53 H new ATOM 0 HG21 THR A 29 -10.457 5.426 6.084 1.00 34.44 H new ATOM 0 HG22 THR A 29 -10.731 3.949 7.040 1.00 34.44 H new ATOM 0 HG23 THR A 29 -9.084 4.383 6.522 1.00 34.44 H new ATOM 439 N ARG A 30 -9.329 1.331 2.848 1.00 44.52 N ATOM 440 CA ARG A 30 -9.585 0.726 1.524 1.00 22.15 C ATOM 441 C ARG A 30 -8.783 -0.566 1.336 1.00 12.03 C ATOM 442 O ARG A 30 -9.360 -1.646 1.144 1.00 70.22 O ATOM 443 CB ARG A 30 -9.223 1.735 0.405 1.00 63.54 C ATOM 444 CG ARG A 30 -9.978 3.080 0.476 1.00 42.14 C ATOM 445 CD ARG A 30 -9.458 4.089 -0.554 1.00 41.24 C ATOM 446 NE ARG A 30 -9.537 3.577 -1.938 1.00 23.11 N ATOM 447 CZ ARG A 30 -9.929 4.297 -3.001 1.00 33.31 C ATOM 448 NH1 ARG A 30 -10.285 5.564 -2.862 1.00 34.21 N ATOM 449 NH2 ARG A 30 -9.930 3.734 -4.202 1.00 51.41 N ATOM 0 H ARG A 30 -8.421 1.790 2.923 1.00 44.52 H new ATOM 0 HA ARG A 30 -10.645 0.478 1.466 1.00 22.15 H new ATOM 0 HB2 ARG A 30 -8.152 1.933 0.447 1.00 63.54 H new ATOM 0 HB3 ARG A 30 -9.424 1.272 -0.561 1.00 63.54 H new ATOM 0 HG2 ARG A 30 -11.041 2.908 0.309 1.00 42.14 H new ATOM 0 HG3 ARG A 30 -9.877 3.500 1.477 1.00 42.14 H new ATOM 0 HD2 ARG A 30 -10.034 5.011 -0.478 1.00 41.24 H new ATOM 0 HD3 ARG A 30 -8.423 4.340 -0.321 1.00 41.24 H new ATOM 0 HE ARG A 30 -9.274 2.604 -2.097 1.00 23.11 H new ATOM 0 HH11 ARG A 30 -10.263 6.002 -1.941 1.00 34.21 H new ATOM 0 HH12 ARG A 30 -10.581 6.103 -3.676 1.00 34.21 H new ATOM 0 HH21 ARG A 30 -9.635 2.764 -4.311 1.00 51.41 H new ATOM 0 HH22 ARG A 30 -10.226 4.271 -5.017 1.00 51.41 H new ATOM 463 N ILE A 31 -7.451 -0.450 1.450 1.00 22.03 N ATOM 464 CA ILE A 31 -6.517 -1.493 0.988 1.00 53.05 C ATOM 465 C ILE A 31 -6.505 -2.682 1.964 1.00 24.24 C ATOM 466 O ILE A 31 -6.852 -3.788 1.561 1.00 62.11 O ATOM 467 CB ILE A 31 -5.064 -0.930 0.796 1.00 34.52 C ATOM 468 CG1 ILE A 31 -5.056 0.277 -0.189 1.00 13.44 C ATOM 469 CG2 ILE A 31 -4.092 -2.033 0.326 1.00 23.32 C ATOM 470 CD1 ILE A 31 -5.521 -0.030 -1.611 1.00 35.10 C ATOM 0 H ILE A 31 -6.992 0.362 1.862 1.00 22.03 H new ATOM 0 HA ILE A 31 -6.870 -1.838 0.016 1.00 53.05 H new ATOM 0 HB ILE A 31 -4.718 -0.574 1.766 1.00 34.52 H new ATOM 0 HG12 ILE A 31 -5.692 1.062 0.221 1.00 13.44 H new ATOM 0 HG13 ILE A 31 -4.044 0.679 -0.235 1.00 13.44 H new ATOM 0 HG21 ILE A 31 -3.095 -1.611 0.202 1.00 23.32 H new ATOM 0 HG22 ILE A 31 -4.059 -2.830 1.069 1.00 23.32 H new ATOM 0 HG23 ILE A 31 -4.435 -2.439 -0.626 1.00 23.32 H new ATOM 0 HD11 ILE A 31 -5.476 0.878 -2.212 1.00 35.10 H new ATOM 0 HD12 ILE A 31 -4.873 -0.788 -2.050 1.00 35.10 H new ATOM 0 HD13 ILE A 31 -6.546 -0.399 -1.587 1.00 35.10 H new ATOM 482 N ARG A 32 -6.133 -2.423 3.252 1.00 23.33 N ATOM 483 CA ARG A 32 -6.039 -3.465 4.308 1.00 32.22 C ATOM 484 C ARG A 32 -7.282 -4.396 4.336 1.00 42.00 C ATOM 485 O ARG A 32 -7.087 -5.595 4.239 1.00 11.42 O ATOM 486 CB ARG A 32 -5.791 -2.868 5.731 1.00 61.22 C ATOM 487 CG ARG A 32 -4.477 -2.084 5.896 1.00 50.51 C ATOM 488 CD ARG A 32 -4.178 -1.733 7.370 1.00 5.31 C ATOM 489 NE ARG A 32 -3.948 -2.939 8.187 1.00 75.51 N ATOM 490 CZ ARG A 32 -4.172 -3.054 9.514 1.00 72.23 C ATOM 491 NH1 ARG A 32 -4.632 -2.025 10.234 1.00 51.44 N ATOM 492 NH2 ARG A 32 -3.928 -4.213 10.104 1.00 45.54 N ATOM 0 H ARG A 32 -5.892 -1.488 3.582 1.00 23.33 H new ATOM 0 HA ARG A 32 -5.168 -4.062 4.039 1.00 32.22 H new ATOM 0 HB2 ARG A 32 -6.622 -2.208 5.980 1.00 61.22 H new ATOM 0 HB3 ARG A 32 -5.802 -3.682 6.456 1.00 61.22 H new ATOM 0 HG2 ARG A 32 -3.653 -2.673 5.492 1.00 50.51 H new ATOM 0 HG3 ARG A 32 -4.530 -1.166 5.311 1.00 50.51 H new ATOM 0 HD2 ARG A 32 -3.300 -1.089 7.419 1.00 5.31 H new ATOM 0 HD3 ARG A 32 -5.012 -1.167 7.785 1.00 5.31 H new ATOM 0 HE ARG A 32 -3.586 -3.762 7.706 1.00 75.51 H new ATOM 0 HH11 ARG A 32 -4.821 -1.130 9.782 1.00 51.44 H new ATOM 0 HH12 ARG A 32 -4.794 -2.135 11.235 1.00 51.44 H new ATOM 0 HH21 ARG A 32 -3.577 -5.000 9.558 1.00 45.54 H new ATOM 0 HH22 ARG A 32 -4.091 -4.320 11.105 1.00 45.54 H new ATOM 506 N PRO A 33 -8.571 -3.870 4.414 1.00 15.31 N ATOM 507 CA PRO A 33 -9.794 -4.729 4.385 1.00 31.05 C ATOM 508 C PRO A 33 -9.846 -5.672 3.164 1.00 10.43 C ATOM 509 O PRO A 33 -10.159 -6.856 3.308 1.00 74.51 O ATOM 510 CB PRO A 33 -10.957 -3.708 4.355 1.00 74.34 C ATOM 511 CG PRO A 33 -10.398 -2.483 4.998 1.00 1.24 C ATOM 512 CD PRO A 33 -8.955 -2.432 4.557 1.00 34.35 C ATOM 0 HA PRO A 33 -9.830 -5.403 5.241 1.00 31.05 H new ATOM 0 HB2 PRO A 33 -11.282 -3.507 3.334 1.00 74.34 H new ATOM 0 HB3 PRO A 33 -11.825 -4.080 4.899 1.00 74.34 H new ATOM 0 HG2 PRO A 33 -10.939 -1.590 4.683 1.00 1.24 H new ATOM 0 HG3 PRO A 33 -10.477 -2.537 6.084 1.00 1.24 H new ATOM 0 HD2 PRO A 33 -8.844 -1.893 3.616 1.00 34.35 H new ATOM 0 HD3 PRO A 33 -8.331 -1.923 5.291 1.00 34.35 H new ATOM 520 N THR A 34 -9.502 -5.124 1.977 1.00 4.33 N ATOM 521 CA THR A 34 -9.449 -5.882 0.709 1.00 54.23 C ATOM 522 C THR A 34 -8.421 -7.036 0.789 1.00 32.13 C ATOM 523 O THR A 34 -8.722 -8.176 0.407 1.00 55.00 O ATOM 524 CB THR A 34 -9.102 -4.919 -0.485 1.00 33.52 C ATOM 525 OG1 THR A 34 -10.084 -3.875 -0.572 1.00 4.13 O ATOM 526 CG2 THR A 34 -9.020 -5.642 -1.839 1.00 41.11 C ATOM 0 H THR A 34 -9.253 -4.140 1.872 1.00 4.33 H new ATOM 0 HA THR A 34 -10.431 -6.321 0.535 1.00 54.23 H new ATOM 0 HB THR A 34 -8.115 -4.507 -0.274 1.00 33.52 H new ATOM 0 HG1 THR A 34 -9.825 -3.133 0.013 1.00 4.13 H new ATOM 0 HG21 THR A 34 -8.778 -4.923 -2.621 1.00 41.11 H new ATOM 0 HG22 THR A 34 -8.245 -6.407 -1.797 1.00 41.11 H new ATOM 0 HG23 THR A 34 -9.979 -6.109 -2.061 1.00 41.11 H new ATOM 534 N VAL A 35 -7.227 -6.729 1.324 1.00 13.52 N ATOM 535 CA VAL A 35 -6.119 -7.697 1.443 1.00 75.11 C ATOM 536 C VAL A 35 -6.407 -8.740 2.557 1.00 4.41 C ATOM 537 O VAL A 35 -5.981 -9.895 2.461 1.00 51.32 O ATOM 538 CB VAL A 35 -4.757 -6.960 1.722 1.00 53.00 C ATOM 539 CG1 VAL A 35 -3.557 -7.926 1.664 1.00 72.52 C ATOM 540 CG2 VAL A 35 -4.550 -5.786 0.743 1.00 21.44 C ATOM 0 H VAL A 35 -7.001 -5.803 1.687 1.00 13.52 H new ATOM 0 HA VAL A 35 -6.037 -8.225 0.493 1.00 75.11 H new ATOM 0 HB VAL A 35 -4.813 -6.562 2.735 1.00 53.00 H new ATOM 0 HG11 VAL A 35 -2.637 -7.376 1.862 1.00 72.52 H new ATOM 0 HG12 VAL A 35 -3.682 -8.707 2.414 1.00 72.52 H new ATOM 0 HG13 VAL A 35 -3.502 -8.379 0.674 1.00 72.52 H new ATOM 0 HG21 VAL A 35 -3.601 -5.295 0.959 1.00 21.44 H new ATOM 0 HG22 VAL A 35 -4.539 -6.163 -0.280 1.00 21.44 H new ATOM 0 HG23 VAL A 35 -5.363 -5.069 0.857 1.00 21.44 H new ATOM 550 N GLN A 36 -7.169 -8.325 3.585 1.00 50.23 N ATOM 551 CA GLN A 36 -7.554 -9.199 4.714 1.00 20.11 C ATOM 552 C GLN A 36 -8.588 -10.241 4.260 1.00 51.23 C ATOM 553 O GLN A 36 -8.537 -11.397 4.689 1.00 22.33 O ATOM 554 CB GLN A 36 -8.076 -8.357 5.913 1.00 3.41 C ATOM 555 CG GLN A 36 -6.968 -7.550 6.631 1.00 62.11 C ATOM 556 CD GLN A 36 -7.491 -6.617 7.726 1.00 64.21 C ATOM 557 OE1 GLN A 36 -8.501 -6.890 8.370 1.00 31.21 O ATOM 558 NE2 GLN A 36 -6.806 -5.501 7.946 1.00 52.41 N ATOM 0 H GLN A 36 -7.536 -7.376 3.659 1.00 50.23 H new ATOM 0 HA GLN A 36 -6.669 -9.736 5.055 1.00 20.11 H new ATOM 0 HB2 GLN A 36 -8.842 -7.669 5.557 1.00 3.41 H new ATOM 0 HB3 GLN A 36 -8.554 -9.022 6.632 1.00 3.41 H new ATOM 0 HG2 GLN A 36 -6.253 -8.245 7.071 1.00 62.11 H new ATOM 0 HG3 GLN A 36 -6.426 -6.959 5.893 1.00 62.11 H new ATOM 0 HE21 GLN A 36 -5.971 -5.299 7.397 1.00 52.41 H new ATOM 0 HE22 GLN A 36 -7.115 -4.846 8.664 1.00 52.41 H new ATOM 567 N GLU A 37 -9.511 -9.814 3.380 1.00 63.12 N ATOM 568 CA GLU A 37 -10.443 -10.718 2.679 1.00 62.15 C ATOM 569 C GLU A 37 -9.655 -11.672 1.759 1.00 65.43 C ATOM 570 O GLU A 37 -9.927 -12.872 1.716 1.00 74.50 O ATOM 571 CB GLU A 37 -11.469 -9.897 1.848 1.00 40.42 C ATOM 572 CG GLU A 37 -12.406 -9.001 2.688 1.00 73.12 C ATOM 573 CD GLU A 37 -13.313 -8.122 1.816 1.00 14.34 C ATOM 574 OE1 GLU A 37 -12.842 -7.070 1.336 1.00 74.23 O ATOM 575 OE2 GLU A 37 -14.481 -8.493 1.569 1.00 54.41 O ATOM 0 H GLU A 37 -9.633 -8.832 3.134 1.00 63.12 H new ATOM 0 HA GLU A 37 -10.987 -11.306 3.418 1.00 62.15 H new ATOM 0 HB2 GLU A 37 -10.926 -9.270 1.141 1.00 40.42 H new ATOM 0 HB3 GLU A 37 -12.076 -10.586 1.261 1.00 40.42 H new ATOM 0 HG2 GLU A 37 -13.023 -9.628 3.332 1.00 73.12 H new ATOM 0 HG3 GLU A 37 -11.807 -8.365 3.341 1.00 73.12 H new ATOM 582 N ASP A 38 -8.650 -11.099 1.065 1.00 22.42 N ATOM 583 CA ASP A 38 -7.765 -11.821 0.122 1.00 63.50 C ATOM 584 C ASP A 38 -6.899 -12.878 0.852 1.00 13.30 C ATOM 585 O ASP A 38 -6.424 -13.840 0.235 1.00 25.34 O ATOM 586 CB ASP A 38 -6.864 -10.775 -0.599 1.00 44.33 C ATOM 587 CG ASP A 38 -6.003 -11.359 -1.732 1.00 73.23 C ATOM 588 OD1 ASP A 38 -6.486 -11.413 -2.884 1.00 14.43 O ATOM 589 OD2 ASP A 38 -4.845 -11.757 -1.485 1.00 74.32 O ATOM 0 H ASP A 38 -8.426 -10.107 1.144 1.00 22.42 H new ATOM 0 HA ASP A 38 -8.374 -12.358 -0.605 1.00 63.50 H new ATOM 0 HB2 ASP A 38 -7.497 -9.987 -1.008 1.00 44.33 H new ATOM 0 HB3 ASP A 38 -6.209 -10.308 0.136 1.00 44.33 H new ATOM 594 N GLY A 39 -6.712 -12.690 2.172 1.00 53.13 N ATOM 595 CA GLY A 39 -6.066 -13.686 3.032 1.00 35.23 C ATOM 596 C GLY A 39 -4.982 -13.090 3.911 1.00 54.25 C ATOM 597 O GLY A 39 -4.749 -13.582 5.023 1.00 52.14 O ATOM 0 H GLY A 39 -7.004 -11.846 2.665 1.00 53.13 H new ATOM 0 HA2 GLY A 39 -6.819 -14.158 3.662 1.00 35.23 H new ATOM 0 HA3 GLY A 39 -5.633 -14.470 2.410 1.00 35.23 H new ATOM 601 N GLY A 40 -4.316 -12.034 3.419 1.00 35.44 N ATOM 602 CA GLY A 40 -3.180 -11.422 4.116 1.00 15.34 C ATOM 603 C GLY A 40 -3.521 -10.097 4.770 1.00 24.02 C ATOM 604 O GLY A 40 -4.570 -9.972 5.395 1.00 31.11 O ATOM 0 H GLY A 40 -4.549 -11.585 2.533 1.00 35.44 H new ATOM 0 HA2 GLY A 40 -2.815 -12.112 4.877 1.00 15.34 H new ATOM 0 HA3 GLY A 40 -2.366 -11.271 3.407 1.00 15.34 H new ATOM 608 N ASP A 41 -2.604 -9.123 4.643 1.00 55.00 N ATOM 609 CA ASP A 41 -2.750 -7.760 5.183 1.00 24.32 C ATOM 610 C ASP A 41 -1.561 -6.912 4.698 1.00 75.51 C ATOM 611 O ASP A 41 -0.516 -7.457 4.298 1.00 72.01 O ATOM 612 CB ASP A 41 -2.851 -7.758 6.743 1.00 63.33 C ATOM 613 CG ASP A 41 -3.081 -6.365 7.353 1.00 14.42 C ATOM 614 OD1 ASP A 41 -3.957 -5.625 6.845 1.00 31.23 O ATOM 615 OD2 ASP A 41 -2.389 -5.999 8.328 1.00 60.00 O ATOM 0 H ASP A 41 -1.721 -9.264 4.151 1.00 55.00 H new ATOM 0 HA ASP A 41 -3.682 -7.329 4.818 1.00 24.32 H new ATOM 0 HB2 ASP A 41 -3.667 -8.415 7.045 1.00 63.33 H new ATOM 0 HB3 ASP A 41 -1.934 -8.178 7.157 1.00 63.33 H new ATOM 620 N VAL A 42 -1.728 -5.575 4.712 1.00 34.32 N ATOM 621 CA VAL A 42 -0.658 -4.620 4.370 1.00 11.22 C ATOM 622 C VAL A 42 -0.415 -3.703 5.583 1.00 5.21 C ATOM 623 O VAL A 42 -1.352 -3.098 6.114 1.00 22.31 O ATOM 624 CB VAL A 42 -0.974 -3.780 3.065 1.00 31.45 C ATOM 625 CG1 VAL A 42 -1.038 -4.697 1.826 1.00 13.31 C ATOM 626 CG2 VAL A 42 -2.269 -2.954 3.205 1.00 23.25 C ATOM 0 H VAL A 42 -2.610 -5.127 4.961 1.00 34.32 H new ATOM 0 HA VAL A 42 0.246 -5.183 4.139 1.00 11.22 H new ATOM 0 HB VAL A 42 -0.156 -3.073 2.931 1.00 31.45 H new ATOM 0 HG11 VAL A 42 -1.256 -4.099 0.941 1.00 13.31 H new ATOM 0 HG12 VAL A 42 -0.080 -5.201 1.696 1.00 13.31 H new ATOM 0 HG13 VAL A 42 -1.823 -5.441 1.964 1.00 13.31 H new ATOM 0 HG21 VAL A 42 -2.445 -2.395 2.286 1.00 23.25 H new ATOM 0 HG22 VAL A 42 -3.109 -3.623 3.389 1.00 23.25 H new ATOM 0 HG23 VAL A 42 -2.169 -2.259 4.039 1.00 23.25 H new ATOM 636 N ILE A 43 0.832 -3.643 6.062 1.00 13.41 N ATOM 637 CA ILE A 43 1.199 -2.840 7.240 1.00 42.23 C ATOM 638 C ILE A 43 2.138 -1.717 6.780 1.00 30.13 C ATOM 639 O ILE A 43 3.184 -1.998 6.186 1.00 51.21 O ATOM 640 CB ILE A 43 1.894 -3.690 8.386 1.00 75.10 C ATOM 641 CG1 ILE A 43 1.077 -4.987 8.754 1.00 14.21 C ATOM 642 CG2 ILE A 43 2.104 -2.799 9.640 1.00 31.41 C ATOM 643 CD1 ILE A 43 1.231 -6.157 7.779 1.00 14.13 C ATOM 0 H ILE A 43 1.616 -4.147 5.647 1.00 13.41 H new ATOM 0 HA ILE A 43 0.282 -2.440 7.673 1.00 42.23 H new ATOM 0 HB ILE A 43 2.860 -4.027 8.011 1.00 75.10 H new ATOM 0 HG12 ILE A 43 1.383 -5.320 9.746 1.00 14.21 H new ATOM 0 HG13 ILE A 43 0.021 -4.725 8.817 1.00 14.21 H new ATOM 0 HG21 ILE A 43 2.581 -3.384 10.426 1.00 31.41 H new ATOM 0 HG22 ILE A 43 2.739 -1.951 9.382 1.00 31.41 H new ATOM 0 HG23 ILE A 43 1.139 -2.435 9.993 1.00 31.41 H new ATOM 0 HD11 ILE A 43 0.629 -6.999 8.123 1.00 14.13 H new ATOM 0 HD12 ILE A 43 0.895 -5.851 6.788 1.00 14.13 H new ATOM 0 HD13 ILE A 43 2.278 -6.455 7.731 1.00 14.13 H new ATOM 655 N TYR A 44 1.755 -0.458 7.047 1.00 34.33 N ATOM 656 CA TYR A 44 2.532 0.721 6.655 1.00 74.20 C ATOM 657 C TYR A 44 3.843 0.774 7.456 1.00 5.12 C ATOM 658 O TYR A 44 3.826 0.920 8.684 1.00 45.22 O ATOM 659 CB TYR A 44 1.693 2.005 6.872 1.00 1.42 C ATOM 660 CG TYR A 44 2.400 3.306 6.466 1.00 5.42 C ATOM 661 CD1 TYR A 44 2.581 3.632 5.123 1.00 40.31 C ATOM 662 CD2 TYR A 44 2.889 4.209 7.421 1.00 31.12 C ATOM 663 CE1 TYR A 44 3.205 4.801 4.750 1.00 3.13 C ATOM 664 CE2 TYR A 44 3.509 5.371 7.047 1.00 43.13 C ATOM 665 CZ TYR A 44 3.668 5.661 5.717 1.00 42.02 C ATOM 666 OH TYR A 44 4.289 6.825 5.357 1.00 24.51 O ATOM 0 H TYR A 44 0.893 -0.232 7.543 1.00 34.33 H new ATOM 0 HA TYR A 44 2.782 0.654 5.596 1.00 74.20 H new ATOM 0 HB2 TYR A 44 0.766 1.918 6.305 1.00 1.42 H new ATOM 0 HB3 TYR A 44 1.417 2.070 7.925 1.00 1.42 H new ATOM 0 HD1 TYR A 44 2.225 2.955 4.361 1.00 40.31 H new ATOM 0 HD2 TYR A 44 2.774 3.984 8.471 1.00 31.12 H new ATOM 0 HE1 TYR A 44 3.330 5.041 3.704 1.00 3.13 H new ATOM 0 HE2 TYR A 44 3.872 6.057 7.798 1.00 43.13 H new ATOM 0 HH TYR A 44 3.635 7.433 4.953 1.00 24.51 H new ATOM 676 N LYS A 45 4.968 0.606 6.752 1.00 44.21 N ATOM 677 CA LYS A 45 6.308 0.629 7.357 1.00 61.04 C ATOM 678 C LYS A 45 6.919 2.037 7.264 1.00 32.14 C ATOM 679 O LYS A 45 7.544 2.514 8.222 1.00 3.12 O ATOM 680 CB LYS A 45 7.221 -0.418 6.665 1.00 11.52 C ATOM 681 CG LYS A 45 6.752 -1.898 6.755 1.00 31.33 C ATOM 682 CD LYS A 45 6.887 -2.523 8.175 1.00 40.04 C ATOM 683 CE LYS A 45 5.686 -2.258 9.094 1.00 41.20 C ATOM 684 NZ LYS A 45 5.905 -2.797 10.458 1.00 65.24 N ATOM 0 H LYS A 45 4.977 0.450 5.744 1.00 44.21 H new ATOM 0 HA LYS A 45 6.223 0.370 8.412 1.00 61.04 H new ATOM 0 HB2 LYS A 45 7.314 -0.151 5.612 1.00 11.52 H new ATOM 0 HB3 LYS A 45 8.217 -0.346 7.101 1.00 11.52 H new ATOM 0 HG2 LYS A 45 5.710 -1.957 6.441 1.00 31.33 H new ATOM 0 HG3 LYS A 45 7.331 -2.495 6.051 1.00 31.33 H new ATOM 0 HD2 LYS A 45 7.023 -3.600 8.075 1.00 40.04 H new ATOM 0 HD3 LYS A 45 7.787 -2.131 8.649 1.00 40.04 H new ATOM 0 HE2 LYS A 45 5.503 -1.185 9.152 1.00 41.20 H new ATOM 0 HE3 LYS A 45 4.793 -2.711 8.664 1.00 41.20 H new ATOM 0 HZ1 LYS A 45 5.072 -2.598 11.048 1.00 65.24 H new ATOM 0 HZ2 LYS A 45 6.054 -3.825 10.405 1.00 65.24 H new ATOM 0 HZ3 LYS A 45 6.743 -2.347 10.879 1.00 65.24 H new ATOM 698 N GLY A 46 6.741 2.701 6.101 1.00 41.53 N ATOM 699 CA GLY A 46 7.294 4.051 5.912 1.00 11.24 C ATOM 700 C GLY A 46 6.988 4.670 4.557 1.00 31.43 C ATOM 701 O GLY A 46 6.295 4.072 3.727 1.00 31.12 O ATOM 0 H GLY A 46 6.231 2.331 5.299 1.00 41.53 H new ATOM 0 HA2 GLY A 46 6.903 4.703 6.693 1.00 11.24 H new ATOM 0 HA3 GLY A 46 8.375 4.009 6.043 1.00 11.24 H new ATOM 705 N PHE A 47 7.513 5.886 4.359 1.00 61.13 N ATOM 706 CA PHE A 47 7.413 6.649 3.113 1.00 34.43 C ATOM 707 C PHE A 47 8.581 7.629 3.084 1.00 71.52 C ATOM 708 O PHE A 47 8.658 8.545 3.911 1.00 22.42 O ATOM 709 CB PHE A 47 6.060 7.410 3.015 1.00 1.01 C ATOM 710 CG PHE A 47 5.896 8.313 1.793 1.00 44.20 C ATOM 711 CD1 PHE A 47 5.597 7.772 0.546 1.00 71.05 C ATOM 712 CD2 PHE A 47 6.027 9.701 1.893 1.00 14.11 C ATOM 713 CE1 PHE A 47 5.439 8.582 -0.559 1.00 54.34 C ATOM 714 CE2 PHE A 47 5.869 10.510 0.784 1.00 35.14 C ATOM 715 CZ PHE A 47 5.573 9.950 -0.440 1.00 61.21 C ATOM 0 H PHE A 47 8.034 6.379 5.084 1.00 61.13 H new ATOM 0 HA PHE A 47 7.453 5.971 2.260 1.00 34.43 H new ATOM 0 HB2 PHE A 47 5.252 6.679 3.015 1.00 1.01 H new ATOM 0 HB3 PHE A 47 5.940 8.018 3.912 1.00 1.01 H new ATOM 0 HD1 PHE A 47 5.487 6.703 0.442 1.00 71.05 H new ATOM 0 HD2 PHE A 47 6.255 10.147 2.850 1.00 14.11 H new ATOM 0 HE1 PHE A 47 5.210 8.145 -1.519 1.00 54.34 H new ATOM 0 HE2 PHE A 47 5.977 11.581 0.876 1.00 35.14 H new ATOM 0 HZ PHE A 47 5.446 10.582 -1.306 1.00 61.21 H new ATOM 725 N GLU A 48 9.502 7.404 2.152 1.00 42.03 N ATOM 726 CA GLU A 48 10.657 8.282 1.913 1.00 44.10 C ATOM 727 C GLU A 48 10.703 8.597 0.422 1.00 12.22 C ATOM 728 O GLU A 48 10.402 7.713 -0.391 1.00 70.35 O ATOM 729 CB GLU A 48 11.991 7.615 2.363 1.00 11.34 C ATOM 730 CG GLU A 48 12.039 7.232 3.857 1.00 3.12 C ATOM 731 CD GLU A 48 13.423 6.756 4.324 1.00 5.10 C ATOM 732 OE1 GLU A 48 14.266 7.609 4.680 1.00 31.45 O ATOM 733 OE2 GLU A 48 13.673 5.533 4.348 1.00 41.12 O ATOM 0 H GLU A 48 9.472 6.597 1.529 1.00 42.03 H new ATOM 0 HA GLU A 48 10.545 9.194 2.499 1.00 44.10 H new ATOM 0 HB2 GLU A 48 12.155 6.719 1.765 1.00 11.34 H new ATOM 0 HB3 GLU A 48 12.814 8.296 2.148 1.00 11.34 H new ATOM 0 HG2 GLU A 48 11.739 8.093 4.454 1.00 3.12 H new ATOM 0 HG3 GLU A 48 11.310 6.444 4.045 1.00 3.12 H new ATOM 740 N ASP A 49 11.081 9.849 0.083 1.00 2.41 N ATOM 741 CA ASP A 49 11.134 10.361 -1.304 1.00 43.45 C ATOM 742 C ASP A 49 9.722 10.332 -1.922 1.00 12.53 C ATOM 743 O ASP A 49 8.979 11.316 -1.834 1.00 60.51 O ATOM 744 CB ASP A 49 12.173 9.581 -2.176 1.00 14.03 C ATOM 745 CG ASP A 49 13.605 9.618 -1.612 1.00 34.22 C ATOM 746 OD1 ASP A 49 13.953 8.740 -0.786 1.00 1.04 O ATOM 747 OD2 ASP A 49 14.378 10.520 -1.984 1.00 54.01 O ATOM 0 H ASP A 49 11.362 10.543 0.776 1.00 2.41 H new ATOM 0 HA ASP A 49 11.479 11.395 -1.279 1.00 43.45 H new ATOM 0 HB2 ASP A 49 11.853 8.543 -2.264 1.00 14.03 H new ATOM 0 HB3 ASP A 49 12.177 10.000 -3.182 1.00 14.03 H new ATOM 752 N GLY A 50 9.345 9.170 -2.469 1.00 71.42 N ATOM 753 CA GLY A 50 8.024 8.932 -3.030 1.00 75.13 C ATOM 754 C GLY A 50 7.652 7.461 -3.008 1.00 34.40 C ATOM 755 O GLY A 50 6.641 7.065 -3.590 1.00 2.14 O ATOM 0 H GLY A 50 9.964 8.361 -2.532 1.00 71.42 H new ATOM 0 HA2 GLY A 50 7.284 9.501 -2.468 1.00 75.13 H new ATOM 0 HA3 GLY A 50 7.995 9.298 -4.056 1.00 75.13 H new ATOM 759 N ILE A 51 8.459 6.640 -2.314 1.00 54.32 N ATOM 760 CA ILE A 51 8.260 5.190 -2.235 1.00 1.25 C ATOM 761 C ILE A 51 7.567 4.841 -0.912 1.00 75.21 C ATOM 762 O ILE A 51 8.116 5.090 0.171 1.00 63.45 O ATOM 763 CB ILE A 51 9.626 4.414 -2.360 1.00 71.52 C ATOM 764 CG1 ILE A 51 10.367 4.810 -3.677 1.00 44.31 C ATOM 765 CG2 ILE A 51 9.415 2.878 -2.272 1.00 73.34 C ATOM 766 CD1 ILE A 51 9.596 4.541 -4.964 1.00 71.24 C ATOM 0 H ILE A 51 9.270 6.969 -1.791 1.00 54.32 H new ATOM 0 HA ILE A 51 7.630 4.882 -3.069 1.00 1.25 H new ATOM 0 HB ILE A 51 10.255 4.704 -1.518 1.00 71.52 H new ATOM 0 HG12 ILE A 51 10.609 5.872 -3.633 1.00 44.31 H new ATOM 0 HG13 ILE A 51 11.312 4.269 -3.719 1.00 44.31 H new ATOM 0 HG21 ILE A 51 10.377 2.373 -2.362 1.00 73.34 H new ATOM 0 HG22 ILE A 51 8.962 2.627 -1.313 1.00 73.34 H new ATOM 0 HG23 ILE A 51 8.758 2.554 -3.079 1.00 73.34 H new ATOM 0 HD11 ILE A 51 10.197 4.851 -5.819 1.00 71.24 H new ATOM 0 HD12 ILE A 51 9.377 3.476 -5.041 1.00 71.24 H new ATOM 0 HD13 ILE A 51 8.663 5.104 -4.953 1.00 71.24 H new ATOM 778 N VAL A 52 6.357 4.280 -1.026 1.00 35.35 N ATOM 779 CA VAL A 52 5.568 3.814 0.119 1.00 41.11 C ATOM 780 C VAL A 52 6.001 2.376 0.457 1.00 64.14 C ATOM 781 O VAL A 52 5.722 1.447 -0.305 1.00 34.30 O ATOM 782 CB VAL A 52 4.016 3.848 -0.177 1.00 60.21 C ATOM 783 CG1 VAL A 52 3.190 3.550 1.099 1.00 62.21 C ATOM 784 CG2 VAL A 52 3.595 5.189 -0.822 1.00 61.42 C ATOM 0 H VAL A 52 5.895 4.136 -1.924 1.00 35.35 H new ATOM 0 HA VAL A 52 5.751 4.483 0.960 1.00 41.11 H new ATOM 0 HB VAL A 52 3.802 3.057 -0.896 1.00 60.21 H new ATOM 0 HG11 VAL A 52 2.127 3.581 0.860 1.00 62.21 H new ATOM 0 HG12 VAL A 52 3.448 2.561 1.477 1.00 62.21 H new ATOM 0 HG13 VAL A 52 3.413 4.298 1.860 1.00 62.21 H new ATOM 0 HG21 VAL A 52 2.522 5.180 -1.013 1.00 61.42 H new ATOM 0 HG22 VAL A 52 3.836 6.009 -0.146 1.00 61.42 H new ATOM 0 HG23 VAL A 52 4.130 5.324 -1.762 1.00 61.42 H new ATOM 794 N GLN A 53 6.708 2.205 1.575 1.00 61.34 N ATOM 795 CA GLN A 53 7.189 0.887 2.022 1.00 12.21 C ATOM 796 C GLN A 53 6.081 0.178 2.814 1.00 65.00 C ATOM 797 O GLN A 53 5.673 0.649 3.886 1.00 0.13 O ATOM 798 CB GLN A 53 8.476 1.042 2.870 1.00 10.12 C ATOM 799 CG GLN A 53 9.686 1.558 2.063 1.00 62.44 C ATOM 800 CD GLN A 53 10.965 1.711 2.895 1.00 24.11 C ATOM 801 OE1 GLN A 53 11.185 0.994 3.871 1.00 30.43 O ATOM 802 NE2 GLN A 53 11.821 2.622 2.494 1.00 22.50 N ATOM 0 H GLN A 53 6.965 2.971 2.198 1.00 61.34 H new ATOM 0 HA GLN A 53 7.438 0.277 1.153 1.00 12.21 H new ATOM 0 HB2 GLN A 53 8.279 1.729 3.693 1.00 10.12 H new ATOM 0 HB3 GLN A 53 8.729 0.078 3.312 1.00 10.12 H new ATOM 0 HG2 GLN A 53 9.880 0.872 1.238 1.00 62.44 H new ATOM 0 HG3 GLN A 53 9.433 2.522 1.623 1.00 62.44 H new ATOM 0 HE21 GLN A 53 11.607 3.200 1.681 1.00 22.50 H new ATOM 0 HE22 GLN A 53 12.700 2.752 2.996 1.00 22.50 H new ATOM 811 N LEU A 54 5.592 -0.943 2.252 1.00 12.20 N ATOM 812 CA LEU A 54 4.499 -1.747 2.821 1.00 54.31 C ATOM 813 C LEU A 54 4.947 -3.201 3.002 1.00 52.04 C ATOM 814 O LEU A 54 5.569 -3.787 2.111 1.00 43.01 O ATOM 815 CB LEU A 54 3.249 -1.702 1.901 1.00 40.41 C ATOM 816 CG LEU A 54 2.625 -0.294 1.673 1.00 75.31 C ATOM 817 CD1 LEU A 54 1.403 -0.378 0.750 1.00 74.12 C ATOM 818 CD2 LEU A 54 2.264 0.376 3.011 1.00 30.44 C ATOM 0 H LEU A 54 5.953 -1.320 1.375 1.00 12.20 H new ATOM 0 HA LEU A 54 4.239 -1.326 3.792 1.00 54.31 H new ATOM 0 HB2 LEU A 54 3.520 -2.120 0.931 1.00 40.41 H new ATOM 0 HB3 LEU A 54 2.485 -2.353 2.326 1.00 40.41 H new ATOM 0 HG LEU A 54 3.373 0.328 1.182 1.00 75.31 H new ATOM 0 HD11 LEU A 54 0.986 0.619 0.607 1.00 74.12 H new ATOM 0 HD12 LEU A 54 1.703 -0.788 -0.214 1.00 74.12 H new ATOM 0 HD13 LEU A 54 0.650 -1.025 1.201 1.00 74.12 H new ATOM 0 HD21 LEU A 54 1.830 1.358 2.821 1.00 30.44 H new ATOM 0 HD22 LEU A 54 1.542 -0.242 3.545 1.00 30.44 H new ATOM 0 HD23 LEU A 54 3.164 0.488 3.616 1.00 30.44 H new ATOM 830 N LYS A 55 4.618 -3.760 4.164 1.00 50.42 N ATOM 831 CA LYS A 55 4.840 -5.168 4.480 1.00 43.21 C ATOM 832 C LYS A 55 3.609 -5.981 4.025 1.00 63.44 C ATOM 833 O LYS A 55 2.476 -5.592 4.321 1.00 1.40 O ATOM 834 CB LYS A 55 5.057 -5.338 6.005 1.00 3.42 C ATOM 835 CG LYS A 55 5.189 -6.806 6.457 1.00 3.15 C ATOM 836 CD LYS A 55 5.255 -6.958 7.986 1.00 53.34 C ATOM 837 CE LYS A 55 5.250 -8.426 8.418 1.00 4.30 C ATOM 838 NZ LYS A 55 5.375 -8.570 9.889 1.00 64.51 N ATOM 0 H LYS A 55 4.183 -3.238 4.925 1.00 50.42 H new ATOM 0 HA LYS A 55 5.728 -5.528 3.961 1.00 43.21 H new ATOM 0 HB2 LYS A 55 5.957 -4.796 6.297 1.00 3.42 H new ATOM 0 HB3 LYS A 55 4.222 -4.879 6.534 1.00 3.42 H new ATOM 0 HG2 LYS A 55 4.341 -7.376 6.077 1.00 3.15 H new ATOM 0 HG3 LYS A 55 6.087 -7.238 6.015 1.00 3.15 H new ATOM 0 HD2 LYS A 55 6.157 -6.473 8.360 1.00 53.34 H new ATOM 0 HD3 LYS A 55 4.407 -6.444 8.438 1.00 53.34 H new ATOM 0 HE2 LYS A 55 4.327 -8.900 8.084 1.00 4.30 H new ATOM 0 HE3 LYS A 55 6.072 -8.951 7.931 1.00 4.30 H new ATOM 0 HZ1 LYS A 55 5.368 -9.579 10.141 1.00 64.51 H new ATOM 0 HZ2 LYS A 55 6.268 -8.141 10.205 1.00 64.51 H new ATOM 0 HZ3 LYS A 55 4.577 -8.091 10.354 1.00 64.51 H new ATOM 852 N LEU A 56 3.835 -7.096 3.306 1.00 23.23 N ATOM 853 CA LEU A 56 2.751 -8.010 2.886 1.00 40.52 C ATOM 854 C LEU A 56 2.720 -9.240 3.814 1.00 3.14 C ATOM 855 O LEU A 56 3.777 -9.746 4.218 1.00 52.03 O ATOM 856 CB LEU A 56 2.932 -8.459 1.402 1.00 41.11 C ATOM 857 CG LEU A 56 3.096 -7.323 0.333 1.00 42.01 C ATOM 858 CD1 LEU A 56 3.125 -7.901 -1.101 1.00 65.12 C ATOM 859 CD2 LEU A 56 2.019 -6.228 0.468 1.00 5.22 C ATOM 0 H LEU A 56 4.763 -7.389 3.001 1.00 23.23 H new ATOM 0 HA LEU A 56 1.804 -7.476 2.960 1.00 40.52 H new ATOM 0 HB2 LEU A 56 3.808 -9.105 1.347 1.00 41.11 H new ATOM 0 HB3 LEU A 56 2.070 -9.066 1.123 1.00 41.11 H new ATOM 0 HG LEU A 56 4.057 -6.848 0.527 1.00 42.01 H new ATOM 0 HD11 LEU A 56 3.240 -7.089 -1.819 1.00 65.12 H new ATOM 0 HD12 LEU A 56 3.963 -8.592 -1.198 1.00 65.12 H new ATOM 0 HD13 LEU A 56 2.193 -8.431 -1.299 1.00 65.12 H new ATOM 0 HD21 LEU A 56 2.177 -5.466 -0.295 1.00 5.22 H new ATOM 0 HD22 LEU A 56 1.032 -6.671 0.339 1.00 5.22 H new ATOM 0 HD23 LEU A 56 2.086 -5.772 1.456 1.00 5.22 H new ATOM 871 N GLN A 57 1.506 -9.706 4.141 1.00 43.24 N ATOM 872 CA GLN A 57 1.282 -10.926 4.954 1.00 62.43 C ATOM 873 C GLN A 57 1.008 -12.137 4.037 1.00 3.43 C ATOM 874 O GLN A 57 0.886 -11.978 2.807 1.00 43.13 O ATOM 875 CB GLN A 57 0.108 -10.704 5.947 1.00 52.12 C ATOM 876 CG GLN A 57 0.416 -9.769 7.143 1.00 55.15 C ATOM 877 CD GLN A 57 1.412 -10.357 8.156 1.00 24.54 C ATOM 878 OE1 GLN A 57 1.508 -11.571 8.331 1.00 43.05 O ATOM 879 NE2 GLN A 57 2.134 -9.508 8.865 1.00 71.24 N ATOM 0 H GLN A 57 0.642 -9.249 3.850 1.00 43.24 H new ATOM 0 HA GLN A 57 2.182 -11.134 5.533 1.00 62.43 H new ATOM 0 HB2 GLN A 57 -0.739 -10.294 5.396 1.00 52.12 H new ATOM 0 HB3 GLN A 57 -0.204 -11.673 6.336 1.00 52.12 H new ATOM 0 HG2 GLN A 57 0.813 -8.828 6.762 1.00 55.15 H new ATOM 0 HG3 GLN A 57 -0.516 -9.536 7.658 1.00 55.15 H new ATOM 0 HE21 GLN A 57 2.042 -8.504 8.707 1.00 71.24 H new ATOM 0 HE22 GLN A 57 2.783 -9.856 9.570 1.00 71.24 H new ATOM 888 N GLY A 58 0.894 -13.337 4.668 1.00 1.13 N ATOM 889 CA GLY A 58 0.712 -14.623 3.967 1.00 43.40 C ATOM 890 C GLY A 58 -0.506 -14.655 3.039 1.00 33.11 C ATOM 891 O GLY A 58 -1.424 -13.848 3.208 1.00 45.34 O ATOM 0 H GLY A 58 0.927 -13.432 5.683 1.00 1.13 H new ATOM 0 HA2 GLY A 58 1.607 -14.838 3.383 1.00 43.40 H new ATOM 0 HA3 GLY A 58 0.615 -15.418 4.706 1.00 43.40 H new ATOM 895 N SER A 59 -0.497 -15.607 2.076 1.00 51.51 N ATOM 896 CA SER A 59 -1.446 -15.696 0.935 1.00 13.33 C ATOM 897 C SER A 59 -1.085 -14.651 -0.145 1.00 51.43 C ATOM 898 O SER A 59 -0.802 -15.003 -1.297 1.00 35.34 O ATOM 899 CB SER A 59 -2.938 -15.573 1.367 1.00 32.52 C ATOM 900 OG SER A 59 -3.250 -16.510 2.381 1.00 4.22 O ATOM 0 H SER A 59 0.192 -16.359 2.069 1.00 51.51 H new ATOM 0 HA SER A 59 -1.341 -16.695 0.511 1.00 13.33 H new ATOM 0 HB2 SER A 59 -3.134 -14.563 1.727 1.00 32.52 H new ATOM 0 HB3 SER A 59 -3.585 -15.735 0.505 1.00 32.52 H new ATOM 0 HG SER A 59 -4.191 -16.413 2.638 1.00 4.22 H new ATOM 906 N CYS A 60 -1.050 -13.368 0.261 1.00 72.45 N ATOM 907 CA CYS A 60 -0.729 -12.238 -0.628 1.00 3.34 C ATOM 908 C CYS A 60 0.753 -12.256 -1.070 1.00 24.10 C ATOM 909 O CYS A 60 1.067 -11.968 -2.232 1.00 33.54 O ATOM 910 CB CYS A 60 -1.075 -10.927 0.107 1.00 32.03 C ATOM 911 SG CYS A 60 -2.752 -10.917 0.774 1.00 75.13 S ATOM 0 H CYS A 60 -1.245 -13.086 1.222 1.00 72.45 H new ATOM 0 HA CYS A 60 -1.321 -12.320 -1.539 1.00 3.34 H new ATOM 0 HB2 CYS A 60 -0.365 -10.774 0.920 1.00 32.03 H new ATOM 0 HB3 CYS A 60 -0.958 -10.089 -0.580 1.00 32.03 H new ATOM 0 HG CYS A 60 -3.594 -11.238 -0.163 1.00 75.13 H new ATOM 917 N THR A 61 1.651 -12.628 -0.137 1.00 33.21 N ATOM 918 CA THR A 61 3.109 -12.671 -0.387 1.00 44.51 C ATOM 919 C THR A 61 3.572 -14.093 -0.781 1.00 44.52 C ATOM 920 O THR A 61 4.776 -14.332 -0.960 1.00 13.22 O ATOM 921 CB THR A 61 3.904 -12.161 0.868 1.00 50.01 C ATOM 922 OG1 THR A 61 5.279 -11.910 0.527 1.00 0.34 O ATOM 923 CG2 THR A 61 3.854 -13.148 2.051 1.00 34.52 C ATOM 0 H THR A 61 1.389 -12.907 0.809 1.00 33.21 H new ATOM 0 HA THR A 61 3.320 -12.006 -1.225 1.00 44.51 H new ATOM 0 HB THR A 61 3.417 -11.238 1.182 1.00 50.01 H new ATOM 0 HG1 THR A 61 5.595 -12.603 -0.089 1.00 0.34 H new ATOM 0 HG21 THR A 61 4.421 -12.741 2.888 1.00 34.52 H new ATOM 0 HG22 THR A 61 2.818 -13.301 2.354 1.00 34.52 H new ATOM 0 HG23 THR A 61 4.288 -14.101 1.748 1.00 34.52 H new ATOM 931 N SER A 62 2.615 -15.026 -0.924 1.00 3.43 N ATOM 932 CA SER A 62 2.911 -16.437 -1.230 1.00 1.03 C ATOM 933 C SER A 62 3.274 -16.629 -2.715 1.00 14.33 C ATOM 934 O SER A 62 4.252 -17.311 -3.044 1.00 5.45 O ATOM 935 CB SER A 62 1.711 -17.322 -0.838 1.00 54.04 C ATOM 936 OG SER A 62 1.433 -17.194 0.542 1.00 20.31 O ATOM 0 H SER A 62 1.619 -14.825 -0.831 1.00 3.43 H new ATOM 0 HA SER A 62 3.779 -16.739 -0.644 1.00 1.03 H new ATOM 0 HB2 SER A 62 0.835 -17.036 -1.420 1.00 54.04 H new ATOM 0 HB3 SER A 62 1.926 -18.364 -1.077 1.00 54.04 H new ATOM 0 HG SER A 62 0.668 -17.760 0.775 1.00 20.31 H new ATOM 942 N CYS A 63 2.471 -16.026 -3.598 1.00 62.31 N ATOM 943 CA CYS A 63 2.648 -16.105 -5.058 1.00 45.53 C ATOM 944 C CYS A 63 3.039 -14.716 -5.616 1.00 13.33 C ATOM 945 O CYS A 63 2.348 -13.725 -5.326 1.00 51.04 O ATOM 946 CB CYS A 63 1.344 -16.626 -5.706 1.00 31.11 C ATOM 947 SG CYS A 63 -0.152 -15.854 -5.061 1.00 74.23 S ATOM 0 H CYS A 63 1.669 -15.461 -3.319 1.00 62.31 H new ATOM 0 HA CYS A 63 3.452 -16.801 -5.298 1.00 45.53 H new ATOM 0 HB2 CYS A 63 1.393 -16.458 -6.782 1.00 31.11 H new ATOM 0 HB3 CYS A 63 1.280 -17.703 -5.554 1.00 31.11 H new ATOM 0 HG CYS A 63 -1.191 -16.351 -5.664 1.00 74.23 H new ATOM 953 N PRO A 64 4.154 -14.622 -6.431 1.00 2.00 N ATOM 954 CA PRO A 64 4.627 -13.344 -7.051 1.00 74.44 C ATOM 955 C PRO A 64 3.554 -12.601 -7.879 1.00 63.24 C ATOM 956 O PRO A 64 3.636 -11.377 -8.047 1.00 41.20 O ATOM 957 CB PRO A 64 5.800 -13.794 -7.951 1.00 64.24 C ATOM 958 CG PRO A 64 6.297 -15.059 -7.312 1.00 21.34 C ATOM 959 CD PRO A 64 5.061 -15.754 -6.793 1.00 34.21 C ATOM 0 HA PRO A 64 4.901 -12.620 -6.284 1.00 74.44 H new ATOM 0 HB2 PRO A 64 5.471 -13.969 -8.975 1.00 64.24 H new ATOM 0 HB3 PRO A 64 6.582 -13.036 -7.993 1.00 64.24 H new ATOM 0 HG2 PRO A 64 6.826 -15.683 -8.033 1.00 21.34 H new ATOM 0 HG3 PRO A 64 6.996 -14.843 -6.504 1.00 21.34 H new ATOM 0 HD2 PRO A 64 4.615 -16.400 -7.550 1.00 34.21 H new ATOM 0 HD3 PRO A 64 5.285 -16.381 -5.930 1.00 34.21 H new ATOM 967 N SER A 65 2.566 -13.365 -8.394 1.00 11.02 N ATOM 968 CA SER A 65 1.423 -12.827 -9.146 1.00 2.41 C ATOM 969 C SER A 65 0.646 -11.811 -8.289 1.00 75.13 C ATOM 970 O SER A 65 0.367 -10.691 -8.731 1.00 72.23 O ATOM 971 CB SER A 65 0.490 -13.973 -9.600 1.00 60.22 C ATOM 972 OG SER A 65 -0.559 -13.510 -10.438 1.00 40.32 O ATOM 0 H SER A 65 2.544 -14.380 -8.296 1.00 11.02 H new ATOM 0 HA SER A 65 1.801 -12.316 -10.031 1.00 2.41 H new ATOM 0 HB2 SER A 65 1.073 -14.725 -10.132 1.00 60.22 H new ATOM 0 HB3 SER A 65 0.064 -14.461 -8.724 1.00 60.22 H new ATOM 0 HG SER A 65 -1.124 -14.266 -10.703 1.00 40.32 H new ATOM 978 N SER A 66 0.352 -12.217 -7.042 1.00 14.32 N ATOM 979 CA SER A 66 -0.376 -11.381 -6.076 1.00 34.05 C ATOM 980 C SER A 66 0.506 -10.241 -5.550 1.00 60.24 C ATOM 981 O SER A 66 0.015 -9.141 -5.357 1.00 4.34 O ATOM 982 CB SER A 66 -0.883 -12.240 -4.902 1.00 74.01 C ATOM 983 OG SER A 66 -1.651 -13.330 -5.369 1.00 21.13 O ATOM 0 H SER A 66 0.613 -13.133 -6.677 1.00 14.32 H new ATOM 0 HA SER A 66 -1.229 -10.940 -6.592 1.00 34.05 H new ATOM 0 HB2 SER A 66 -0.036 -12.608 -4.323 1.00 74.01 H new ATOM 0 HB3 SER A 66 -1.485 -11.627 -4.231 1.00 74.01 H new ATOM 0 HG SER A 66 -1.324 -14.159 -4.961 1.00 21.13 H new ATOM 989 N ILE A 67 1.811 -10.526 -5.351 1.00 44.45 N ATOM 990 CA ILE A 67 2.797 -9.555 -4.815 1.00 21.33 C ATOM 991 C ILE A 67 2.877 -8.278 -5.688 1.00 1.10 C ATOM 992 O ILE A 67 2.691 -7.155 -5.189 1.00 53.14 O ATOM 993 CB ILE A 67 4.234 -10.218 -4.705 1.00 34.32 C ATOM 994 CG1 ILE A 67 4.222 -11.403 -3.691 1.00 14.31 C ATOM 995 CG2 ILE A 67 5.323 -9.184 -4.333 1.00 21.24 C ATOM 996 CD1 ILE A 67 5.559 -12.120 -3.515 1.00 74.43 C ATOM 0 H ILE A 67 2.215 -11.440 -5.558 1.00 44.45 H new ATOM 0 HA ILE A 67 2.456 -9.267 -3.821 1.00 21.33 H new ATOM 0 HB ILE A 67 4.486 -10.610 -5.691 1.00 34.32 H new ATOM 0 HG12 ILE A 67 3.899 -11.027 -2.720 1.00 14.31 H new ATOM 0 HG13 ILE A 67 3.477 -12.130 -4.015 1.00 14.31 H new ATOM 0 HG21 ILE A 67 6.291 -9.682 -4.269 1.00 21.24 H new ATOM 0 HG22 ILE A 67 5.364 -8.408 -5.097 1.00 21.24 H new ATOM 0 HG23 ILE A 67 5.082 -8.733 -3.370 1.00 21.24 H new ATOM 0 HD11 ILE A 67 5.447 -12.927 -2.791 1.00 74.43 H new ATOM 0 HD12 ILE A 67 5.879 -12.533 -4.472 1.00 74.43 H new ATOM 0 HD13 ILE A 67 6.307 -11.413 -3.157 1.00 74.43 H new ATOM 1008 N ILE A 68 3.143 -8.485 -6.995 1.00 10.51 N ATOM 1009 CA ILE A 68 3.342 -7.390 -7.965 1.00 30.02 C ATOM 1010 C ILE A 68 2.025 -6.615 -8.193 1.00 51.12 C ATOM 1011 O ILE A 68 2.005 -5.385 -8.092 1.00 23.45 O ATOM 1012 CB ILE A 68 3.902 -7.944 -9.333 1.00 31.43 C ATOM 1013 CG1 ILE A 68 5.267 -8.682 -9.117 1.00 4.01 C ATOM 1014 CG2 ILE A 68 4.042 -6.826 -10.397 1.00 31.10 C ATOM 1015 CD1 ILE A 68 5.838 -9.331 -10.371 1.00 2.35 C ATOM 0 H ILE A 68 3.226 -9.415 -7.406 1.00 10.51 H new ATOM 0 HA ILE A 68 4.078 -6.702 -7.549 1.00 30.02 H new ATOM 0 HB ILE A 68 3.176 -8.663 -9.713 1.00 31.43 H new ATOM 0 HG12 ILE A 68 5.994 -7.969 -8.729 1.00 4.01 H new ATOM 0 HG13 ILE A 68 5.134 -9.449 -8.354 1.00 4.01 H new ATOM 0 HG21 ILE A 68 4.430 -7.251 -11.322 1.00 31.10 H new ATOM 0 HG22 ILE A 68 3.066 -6.378 -10.585 1.00 31.10 H new ATOM 0 HG23 ILE A 68 4.728 -6.061 -10.033 1.00 31.10 H new ATOM 0 HD11 ILE A 68 6.783 -9.819 -10.130 1.00 2.35 H new ATOM 0 HD12 ILE A 68 5.134 -10.071 -10.750 1.00 2.35 H new ATOM 0 HD13 ILE A 68 6.007 -8.568 -11.131 1.00 2.35 H new ATOM 1027 N THR A 69 0.929 -7.356 -8.454 1.00 51.24 N ATOM 1028 CA THR A 69 -0.382 -6.768 -8.782 1.00 53.50 C ATOM 1029 C THR A 69 -0.990 -5.995 -7.589 1.00 63.51 C ATOM 1030 O THR A 69 -1.629 -4.949 -7.787 1.00 44.35 O ATOM 1031 CB THR A 69 -1.359 -7.880 -9.281 1.00 2.15 C ATOM 1032 OG1 THR A 69 -0.770 -8.558 -10.412 1.00 13.21 O ATOM 1033 CG2 THR A 69 -2.740 -7.327 -9.687 1.00 53.22 C ATOM 0 H THR A 69 0.929 -8.376 -8.443 1.00 51.24 H new ATOM 0 HA THR A 69 -0.229 -6.044 -9.582 1.00 53.50 H new ATOM 0 HB THR A 69 -1.516 -8.567 -8.450 1.00 2.15 H new ATOM 0 HG1 THR A 69 -0.270 -9.341 -10.100 1.00 13.21 H new ATOM 0 HG21 THR A 69 -3.375 -8.146 -10.025 1.00 53.22 H new ATOM 0 HG22 THR A 69 -3.203 -6.839 -8.829 1.00 53.22 H new ATOM 0 HG23 THR A 69 -2.620 -6.604 -10.494 1.00 53.22 H new ATOM 1041 N LEU A 70 -0.767 -6.501 -6.355 1.00 50.02 N ATOM 1042 CA LEU A 70 -1.232 -5.832 -5.128 1.00 2.41 C ATOM 1043 C LEU A 70 -0.496 -4.498 -4.966 1.00 41.11 C ATOM 1044 O LEU A 70 -1.132 -3.453 -4.882 1.00 65.54 O ATOM 1045 CB LEU A 70 -1.004 -6.735 -3.884 1.00 1.13 C ATOM 1046 CG LEU A 70 -1.473 -6.158 -2.512 1.00 42.31 C ATOM 1047 CD1 LEU A 70 -2.961 -5.751 -2.550 1.00 30.14 C ATOM 1048 CD2 LEU A 70 -1.183 -7.150 -1.360 1.00 44.54 C ATOM 0 H LEU A 70 -0.266 -7.373 -6.187 1.00 50.02 H new ATOM 0 HA LEU A 70 -2.303 -5.645 -5.211 1.00 2.41 H new ATOM 0 HB2 LEU A 70 -1.518 -7.682 -4.050 1.00 1.13 H new ATOM 0 HB3 LEU A 70 0.061 -6.958 -3.815 1.00 1.13 H new ATOM 0 HG LEU A 70 -0.896 -5.254 -2.319 1.00 42.31 H new ATOM 0 HD11 LEU A 70 -3.254 -5.353 -1.578 1.00 30.14 H new ATOM 0 HD12 LEU A 70 -3.110 -4.988 -3.314 1.00 30.14 H new ATOM 0 HD13 LEU A 70 -3.571 -6.623 -2.784 1.00 30.14 H new ATOM 0 HD21 LEU A 70 -1.520 -6.721 -0.417 1.00 44.54 H new ATOM 0 HD22 LEU A 70 -1.712 -8.085 -1.543 1.00 44.54 H new ATOM 0 HD23 LEU A 70 -0.112 -7.344 -1.308 1.00 44.54 H new ATOM 1060 N LYS A 71 0.851 -4.566 -4.996 1.00 55.33 N ATOM 1061 CA LYS A 71 1.740 -3.396 -4.847 1.00 65.33 C ATOM 1062 C LYS A 71 1.411 -2.292 -5.874 1.00 32.12 C ATOM 1063 O LYS A 71 1.416 -1.103 -5.536 1.00 44.10 O ATOM 1064 CB LYS A 71 3.219 -3.875 -4.954 1.00 31.31 C ATOM 1065 CG LYS A 71 4.325 -2.771 -4.950 1.00 21.24 C ATOM 1066 CD LYS A 71 4.731 -2.259 -6.361 1.00 52.21 C ATOM 1067 CE LYS A 71 5.353 -3.365 -7.238 1.00 53.23 C ATOM 1068 NZ LYS A 71 6.599 -3.920 -6.642 1.00 5.23 N ATOM 0 H LYS A 71 1.356 -5.443 -5.125 1.00 55.33 H new ATOM 0 HA LYS A 71 1.583 -2.945 -3.867 1.00 65.33 H new ATOM 0 HB2 LYS A 71 3.416 -4.554 -4.125 1.00 31.31 H new ATOM 0 HB3 LYS A 71 3.322 -4.454 -5.872 1.00 31.31 H new ATOM 0 HG2 LYS A 71 3.974 -1.926 -4.358 1.00 21.24 H new ATOM 0 HG3 LYS A 71 5.211 -3.164 -4.451 1.00 21.24 H new ATOM 0 HD2 LYS A 71 3.852 -1.854 -6.863 1.00 52.21 H new ATOM 0 HD3 LYS A 71 5.443 -1.441 -6.255 1.00 52.21 H new ATOM 0 HE2 LYS A 71 4.629 -4.168 -7.375 1.00 53.23 H new ATOM 0 HE3 LYS A 71 5.573 -2.962 -8.227 1.00 53.23 H new ATOM 0 HZ1 LYS A 71 7.046 -4.573 -7.317 1.00 5.23 H new ATOM 0 HZ2 LYS A 71 7.256 -3.143 -6.425 1.00 5.23 H new ATOM 0 HZ3 LYS A 71 6.367 -4.432 -5.767 1.00 5.23 H new ATOM 1082 N ASN A 72 1.112 -2.712 -7.119 1.00 2.44 N ATOM 1083 CA ASN A 72 0.745 -1.795 -8.220 1.00 22.10 C ATOM 1084 C ASN A 72 -0.648 -1.192 -7.997 1.00 71.52 C ATOM 1085 O ASN A 72 -0.834 0.002 -8.201 1.00 44.20 O ATOM 1086 CB ASN A 72 0.798 -2.518 -9.593 1.00 52.21 C ATOM 1087 CG ASN A 72 2.224 -2.849 -10.049 1.00 74.12 C ATOM 1088 OD1 ASN A 72 3.180 -2.150 -9.707 1.00 3.23 O ATOM 1089 ND2 ASN A 72 2.380 -3.910 -10.831 1.00 72.41 N ATOM 0 H ASN A 72 1.118 -3.695 -7.391 1.00 2.44 H new ATOM 0 HA ASN A 72 1.476 -0.986 -8.226 1.00 22.10 H new ATOM 0 HB2 ASN A 72 0.220 -3.440 -9.533 1.00 52.21 H new ATOM 0 HB3 ASN A 72 0.320 -1.890 -10.345 1.00 52.21 H new ATOM 0 HD21 ASN A 72 3.309 -4.165 -11.165 1.00 72.41 H new ATOM 0 HD22 ASN A 72 1.571 -4.470 -11.098 1.00 72.41 H new ATOM 1096 N GLY A 73 -1.614 -2.025 -7.559 1.00 72.43 N ATOM 1097 CA GLY A 73 -2.985 -1.560 -7.304 1.00 4.33 C ATOM 1098 C GLY A 73 -3.038 -0.462 -6.242 1.00 32.30 C ATOM 1099 O GLY A 73 -3.671 0.594 -6.441 1.00 53.30 O ATOM 0 H GLY A 73 -1.467 -3.018 -7.376 1.00 72.43 H new ATOM 0 HA2 GLY A 73 -3.418 -1.186 -8.232 1.00 4.33 H new ATOM 0 HA3 GLY A 73 -3.598 -2.402 -6.983 1.00 4.33 H new ATOM 1103 N ILE A 74 -2.289 -0.706 -5.147 1.00 14.51 N ATOM 1104 CA ILE A 74 -2.101 0.246 -4.047 1.00 44.54 C ATOM 1105 C ILE A 74 -1.435 1.529 -4.575 1.00 54.32 C ATOM 1106 O ILE A 74 -1.864 2.635 -4.250 1.00 44.15 O ATOM 1107 CB ILE A 74 -1.191 -0.361 -2.912 1.00 75.23 C ATOM 1108 CG1 ILE A 74 -1.751 -1.722 -2.399 1.00 12.35 C ATOM 1109 CG2 ILE A 74 -1.027 0.638 -1.750 1.00 54.02 C ATOM 1110 CD1 ILE A 74 -0.830 -2.475 -1.445 1.00 22.23 C ATOM 0 H ILE A 74 -1.792 -1.586 -5.006 1.00 14.51 H new ATOM 0 HA ILE A 74 -3.084 0.469 -3.631 1.00 44.54 H new ATOM 0 HB ILE A 74 -0.208 -0.551 -3.342 1.00 75.23 H new ATOM 0 HG12 ILE A 74 -2.701 -1.541 -1.897 1.00 12.35 H new ATOM 0 HG13 ILE A 74 -1.960 -2.359 -3.258 1.00 12.35 H new ATOM 0 HG21 ILE A 74 -0.395 0.198 -0.978 1.00 54.02 H new ATOM 0 HG22 ILE A 74 -0.564 1.553 -2.119 1.00 54.02 H new ATOM 0 HG23 ILE A 74 -2.005 0.870 -1.329 1.00 54.02 H new ATOM 0 HD11 ILE A 74 -1.304 -3.408 -1.142 1.00 22.23 H new ATOM 0 HD12 ILE A 74 0.113 -2.693 -1.946 1.00 22.23 H new ATOM 0 HD13 ILE A 74 -0.640 -1.862 -0.564 1.00 22.23 H new ATOM 1122 N GLN A 75 -0.398 1.330 -5.415 1.00 4.12 N ATOM 1123 CA GLN A 75 0.409 2.411 -5.993 1.00 23.02 C ATOM 1124 C GLN A 75 -0.468 3.390 -6.782 1.00 11.33 C ATOM 1125 O GLN A 75 -0.493 4.570 -6.459 1.00 14.15 O ATOM 1126 CB GLN A 75 1.536 1.819 -6.880 1.00 45.50 C ATOM 1127 CG GLN A 75 2.526 2.847 -7.448 1.00 72.24 C ATOM 1128 CD GLN A 75 3.683 2.227 -8.242 1.00 64.43 C ATOM 1129 OE1 GLN A 75 4.183 2.827 -9.194 1.00 52.32 O ATOM 1130 NE2 GLN A 75 4.157 1.048 -7.832 1.00 54.34 N ATOM 0 H GLN A 75 -0.099 0.401 -5.711 1.00 4.12 H new ATOM 0 HA GLN A 75 0.872 2.973 -5.182 1.00 23.02 H new ATOM 0 HB2 GLN A 75 2.092 1.088 -6.294 1.00 45.50 H new ATOM 0 HB3 GLN A 75 1.079 1.281 -7.710 1.00 45.50 H new ATOM 0 HG2 GLN A 75 1.985 3.538 -8.094 1.00 72.24 H new ATOM 0 HG3 GLN A 75 2.936 3.434 -6.626 1.00 72.24 H new ATOM 0 HE21 GLN A 75 3.724 0.572 -7.041 1.00 54.34 H new ATOM 0 HE22 GLN A 75 4.952 0.624 -8.310 1.00 54.34 H new ATOM 1139 N ASN A 76 -1.252 2.866 -7.751 1.00 73.43 N ATOM 1140 CA ASN A 76 -2.105 3.697 -8.623 1.00 21.13 C ATOM 1141 C ASN A 76 -3.208 4.422 -7.821 1.00 64.44 C ATOM 1142 O ASN A 76 -3.584 5.542 -8.169 1.00 12.54 O ATOM 1143 CB ASN A 76 -2.752 2.859 -9.764 1.00 13.53 C ATOM 1144 CG ASN A 76 -1.725 2.260 -10.736 1.00 63.12 C ATOM 1145 OD1 ASN A 76 -1.228 2.934 -11.640 1.00 15.44 O ATOM 1146 ND2 ASN A 76 -1.467 0.974 -10.615 1.00 35.15 N ATOM 0 H ASN A 76 -1.310 1.867 -7.947 1.00 73.43 H new ATOM 0 HA ASN A 76 -1.451 4.446 -9.070 1.00 21.13 H new ATOM 0 HB2 ASN A 76 -3.339 2.053 -9.325 1.00 13.53 H new ATOM 0 HB3 ASN A 76 -3.444 3.490 -10.321 1.00 13.53 H new ATOM 0 HD21 ASN A 76 -0.843 0.514 -11.278 1.00 35.15 H new ATOM 0 HD22 ASN A 76 -1.891 0.438 -9.858 1.00 35.15 H new ATOM 1153 N MET A 77 -3.715 3.776 -6.748 1.00 32.32 N ATOM 1154 CA MET A 77 -4.727 4.387 -5.856 1.00 61.05 C ATOM 1155 C MET A 77 -4.113 5.566 -5.067 1.00 25.43 C ATOM 1156 O MET A 77 -4.696 6.650 -4.993 1.00 2.34 O ATOM 1157 CB MET A 77 -5.322 3.317 -4.901 1.00 2.04 C ATOM 1158 CG MET A 77 -6.508 3.799 -4.034 1.00 3.31 C ATOM 1159 SD MET A 77 -6.030 4.877 -2.661 1.00 63.05 S ATOM 1160 CE MET A 77 -5.038 3.762 -1.675 1.00 11.23 C ATOM 0 H MET A 77 -3.440 2.832 -6.478 1.00 32.32 H new ATOM 0 HA MET A 77 -5.540 4.782 -6.466 1.00 61.05 H new ATOM 0 HB2 MET A 77 -5.650 2.464 -5.495 1.00 2.04 H new ATOM 0 HB3 MET A 77 -4.531 2.961 -4.241 1.00 2.04 H new ATOM 0 HG2 MET A 77 -7.216 4.331 -4.670 1.00 3.31 H new ATOM 0 HG3 MET A 77 -7.029 2.929 -3.634 1.00 3.31 H new ATOM 0 HE1 MET A 77 -4.474 4.333 -0.937 1.00 11.23 H new ATOM 0 HE2 MET A 77 -5.688 3.051 -1.164 1.00 11.23 H new ATOM 0 HE3 MET A 77 -4.347 3.222 -2.322 1.00 11.23 H new ATOM 1170 N LEU A 78 -2.910 5.343 -4.513 1.00 72.21 N ATOM 1171 CA LEU A 78 -2.156 6.370 -3.768 1.00 51.14 C ATOM 1172 C LEU A 78 -1.690 7.515 -4.698 1.00 43.43 C ATOM 1173 O LEU A 78 -1.550 8.648 -4.254 1.00 1.22 O ATOM 1174 CB LEU A 78 -0.941 5.728 -3.033 1.00 72.10 C ATOM 1175 CG LEU A 78 -1.272 4.813 -1.808 1.00 5.44 C ATOM 1176 CD1 LEU A 78 0.005 4.133 -1.264 1.00 53.33 C ATOM 1177 CD2 LEU A 78 -1.992 5.615 -0.699 1.00 65.31 C ATOM 0 H LEU A 78 -2.430 4.445 -4.568 1.00 72.21 H new ATOM 0 HA LEU A 78 -2.825 6.802 -3.023 1.00 51.14 H new ATOM 0 HB2 LEU A 78 -0.377 5.139 -3.756 1.00 72.10 H new ATOM 0 HB3 LEU A 78 -0.285 6.530 -2.693 1.00 72.10 H new ATOM 0 HG LEU A 78 -1.949 4.028 -2.146 1.00 5.44 H new ATOM 0 HD11 LEU A 78 -0.253 3.503 -0.413 1.00 53.33 H new ATOM 0 HD12 LEU A 78 0.453 3.521 -2.047 1.00 53.33 H new ATOM 0 HD13 LEU A 78 0.717 4.896 -0.948 1.00 53.33 H new ATOM 0 HD21 LEU A 78 -2.211 4.957 0.142 1.00 65.31 H new ATOM 0 HD22 LEU A 78 -1.350 6.430 -0.364 1.00 65.31 H new ATOM 0 HD23 LEU A 78 -2.923 6.024 -1.092 1.00 65.31 H new ATOM 1189 N GLN A 79 -1.463 7.193 -5.989 1.00 42.50 N ATOM 1190 CA GLN A 79 -1.043 8.177 -7.020 1.00 31.14 C ATOM 1191 C GLN A 79 -2.242 8.965 -7.573 1.00 51.31 C ATOM 1192 O GLN A 79 -2.073 10.072 -8.096 1.00 3.22 O ATOM 1193 CB GLN A 79 -0.297 7.461 -8.177 1.00 3.40 C ATOM 1194 CG GLN A 79 1.080 6.904 -7.784 1.00 10.12 C ATOM 1195 CD GLN A 79 1.781 6.124 -8.893 1.00 50.22 C ATOM 1196 OE1 GLN A 79 1.137 5.500 -9.741 1.00 65.05 O ATOM 1197 NE2 GLN A 79 3.106 6.133 -8.879 1.00 25.31 N ATOM 0 H GLN A 79 -1.565 6.244 -6.350 1.00 42.50 H new ATOM 0 HA GLN A 79 -0.368 8.887 -6.542 1.00 31.14 H new ATOM 0 HB2 GLN A 79 -0.917 6.643 -8.544 1.00 3.40 H new ATOM 0 HB3 GLN A 79 -0.172 8.161 -9.003 1.00 3.40 H new ATOM 0 HG2 GLN A 79 1.720 7.732 -7.477 1.00 10.12 H new ATOM 0 HG3 GLN A 79 0.962 6.254 -6.917 1.00 10.12 H new ATOM 0 HE21 GLN A 79 3.605 6.660 -8.162 1.00 25.31 H new ATOM 0 HE22 GLN A 79 3.627 5.613 -9.585 1.00 25.31 H new ATOM 1206 N PHE A 80 -3.443 8.364 -7.463 1.00 24.32 N ATOM 1207 CA PHE A 80 -4.723 9.003 -7.829 1.00 73.41 C ATOM 1208 C PHE A 80 -4.963 10.237 -6.946 1.00 30.11 C ATOM 1209 O PHE A 80 -5.447 11.274 -7.411 1.00 21.24 O ATOM 1210 CB PHE A 80 -5.879 7.971 -7.659 1.00 52.23 C ATOM 1211 CG PHE A 80 -7.284 8.487 -7.970 1.00 74.22 C ATOM 1212 CD1 PHE A 80 -7.746 8.555 -9.281 1.00 52.33 C ATOM 1213 CD2 PHE A 80 -8.148 8.894 -6.946 1.00 33.21 C ATOM 1214 CE1 PHE A 80 -9.019 9.016 -9.561 1.00 30.03 C ATOM 1215 CE2 PHE A 80 -9.417 9.354 -7.228 1.00 12.21 C ATOM 1216 CZ PHE A 80 -9.853 9.415 -8.537 1.00 72.24 C ATOM 0 H PHE A 80 -3.553 7.412 -7.114 1.00 24.32 H new ATOM 0 HA PHE A 80 -4.688 9.328 -8.869 1.00 73.41 H new ATOM 0 HB2 PHE A 80 -5.675 7.116 -8.304 1.00 52.23 H new ATOM 0 HB3 PHE A 80 -5.866 7.605 -6.632 1.00 52.23 H new ATOM 0 HD1 PHE A 80 -7.102 8.244 -10.090 1.00 52.33 H new ATOM 0 HD2 PHE A 80 -7.815 8.847 -5.920 1.00 33.21 H new ATOM 0 HE1 PHE A 80 -9.361 9.064 -10.584 1.00 30.03 H new ATOM 0 HE2 PHE A 80 -10.069 9.666 -6.426 1.00 12.21 H new ATOM 0 HZ PHE A 80 -10.847 9.775 -8.759 1.00 72.24 H new ATOM 1226 N TYR A 81 -4.611 10.092 -5.666 1.00 12.13 N ATOM 1227 CA TYR A 81 -4.773 11.148 -4.659 1.00 32.24 C ATOM 1228 C TYR A 81 -3.515 12.024 -4.539 1.00 42.45 C ATOM 1229 O TYR A 81 -3.609 13.256 -4.458 1.00 73.33 O ATOM 1230 CB TYR A 81 -5.119 10.512 -3.286 1.00 12.04 C ATOM 1231 CG TYR A 81 -6.508 9.864 -3.248 1.00 45.20 C ATOM 1232 CD1 TYR A 81 -7.648 10.653 -3.106 1.00 12.54 C ATOM 1233 CD2 TYR A 81 -6.686 8.477 -3.365 1.00 3.22 C ATOM 1234 CE1 TYR A 81 -8.906 10.095 -3.079 1.00 3.10 C ATOM 1235 CE2 TYR A 81 -7.946 7.915 -3.336 1.00 11.14 C ATOM 1236 CZ TYR A 81 -9.052 8.735 -3.193 1.00 54.32 C ATOM 1237 OH TYR A 81 -10.311 8.189 -3.169 1.00 53.13 O ATOM 0 H TYR A 81 -4.203 9.234 -5.295 1.00 12.13 H new ATOM 0 HA TYR A 81 -5.589 11.795 -4.979 1.00 32.24 H new ATOM 0 HB2 TYR A 81 -4.369 9.760 -3.043 1.00 12.04 H new ATOM 0 HB3 TYR A 81 -5.063 11.279 -2.514 1.00 12.04 H new ATOM 0 HD1 TYR A 81 -7.542 11.724 -3.015 1.00 12.54 H new ATOM 0 HD2 TYR A 81 -5.822 7.839 -3.480 1.00 3.22 H new ATOM 0 HE1 TYR A 81 -9.776 10.726 -2.968 1.00 3.10 H new ATOM 0 HE2 TYR A 81 -8.068 6.846 -3.424 1.00 11.14 H new ATOM 0 HH TYR A 81 -10.601 7.995 -4.085 1.00 53.13 H new ATOM 1247 N ILE A 82 -2.345 11.376 -4.522 1.00 1.40 N ATOM 1248 CA ILE A 82 -1.066 12.011 -4.146 1.00 32.31 C ATOM 1249 C ILE A 82 -0.026 11.814 -5.276 1.00 5.44 C ATOM 1250 O ILE A 82 0.468 10.690 -5.461 1.00 71.11 O ATOM 1251 CB ILE A 82 -0.497 11.385 -2.817 1.00 15.15 C ATOM 1252 CG1 ILE A 82 -1.587 11.324 -1.700 1.00 35.41 C ATOM 1253 CG2 ILE A 82 0.750 12.155 -2.330 1.00 52.22 C ATOM 1254 CD1 ILE A 82 -1.177 10.550 -0.460 1.00 53.31 C ATOM 0 H ILE A 82 -2.253 10.391 -4.769 1.00 1.40 H new ATOM 0 HA ILE A 82 -1.252 13.074 -3.989 1.00 32.31 H new ATOM 0 HB ILE A 82 -0.196 10.361 -3.040 1.00 15.15 H new ATOM 0 HG12 ILE A 82 -1.847 12.341 -1.408 1.00 35.41 H new ATOM 0 HG13 ILE A 82 -2.488 10.871 -2.114 1.00 35.41 H new ATOM 0 HG21 ILE A 82 1.122 11.702 -1.411 1.00 52.22 H new ATOM 0 HG22 ILE A 82 1.525 12.113 -3.095 1.00 52.22 H new ATOM 0 HG23 ILE A 82 0.484 13.195 -2.140 1.00 52.22 H new ATOM 0 HD11 ILE A 82 -1.994 10.560 0.262 1.00 53.31 H new ATOM 0 HD12 ILE A 82 -0.947 9.520 -0.733 1.00 53.31 H new ATOM 0 HD13 ILE A 82 -0.296 11.013 -0.017 1.00 53.31 H new ATOM 1266 N PRO A 83 0.335 12.892 -6.038 1.00 72.24 N ATOM 1267 CA PRO A 83 1.398 12.820 -7.081 1.00 0.33 C ATOM 1268 C PRO A 83 2.817 12.627 -6.478 1.00 2.40 C ATOM 1269 O PRO A 83 3.766 12.313 -7.210 1.00 70.43 O ATOM 1270 CB PRO A 83 1.254 14.178 -7.821 1.00 21.00 C ATOM 1271 CG PRO A 83 0.648 15.106 -6.808 1.00 15.31 C ATOM 1272 CD PRO A 83 -0.269 14.251 -5.961 1.00 62.15 C ATOM 0 HA PRO A 83 1.282 11.959 -7.740 1.00 0.33 H new ATOM 0 HB2 PRO A 83 2.221 14.545 -8.165 1.00 21.00 H new ATOM 0 HB3 PRO A 83 0.618 14.083 -8.701 1.00 21.00 H new ATOM 0 HG2 PRO A 83 1.419 15.575 -6.197 1.00 15.31 H new ATOM 0 HG3 PRO A 83 0.095 15.909 -7.295 1.00 15.31 H new ATOM 0 HD2 PRO A 83 -0.314 14.611 -4.933 1.00 62.15 H new ATOM 0 HD3 PRO A 83 -1.289 14.257 -6.345 1.00 62.15 H new ATOM 1280 N GLU A 84 2.943 12.816 -5.144 1.00 62.05 N ATOM 1281 CA GLU A 84 4.208 12.604 -4.405 1.00 22.20 C ATOM 1282 C GLU A 84 4.556 11.107 -4.335 1.00 10.44 C ATOM 1283 O GLU A 84 5.731 10.755 -4.217 1.00 15.24 O ATOM 1284 CB GLU A 84 4.152 13.218 -2.967 1.00 41.42 C ATOM 1285 CG GLU A 84 4.173 14.766 -2.908 1.00 3.41 C ATOM 1286 CD GLU A 84 3.052 15.433 -3.727 1.00 43.12 C ATOM 1287 OE1 GLU A 84 1.880 15.382 -3.299 1.00 45.04 O ATOM 1288 OE2 GLU A 84 3.334 15.984 -4.816 1.00 25.42 O ATOM 0 H GLU A 84 2.171 13.120 -4.551 1.00 62.05 H new ATOM 0 HA GLU A 84 4.994 13.121 -4.956 1.00 22.20 H new ATOM 0 HB2 GLU A 84 3.247 12.864 -2.473 1.00 41.42 H new ATOM 0 HB3 GLU A 84 4.997 12.837 -2.394 1.00 41.42 H new ATOM 0 HG2 GLU A 84 4.088 15.082 -1.868 1.00 3.41 H new ATOM 0 HG3 GLU A 84 5.137 15.121 -3.272 1.00 3.41 H new ATOM 1295 N VAL A 85 3.536 10.235 -4.409 1.00 74.52 N ATOM 1296 CA VAL A 85 3.747 8.788 -4.493 1.00 53.34 C ATOM 1297 C VAL A 85 4.313 8.460 -5.886 1.00 52.25 C ATOM 1298 O VAL A 85 3.610 8.501 -6.893 1.00 45.21 O ATOM 1299 CB VAL A 85 2.429 7.980 -4.204 1.00 63.31 C ATOM 1300 CG1 VAL A 85 2.649 6.448 -4.344 1.00 43.00 C ATOM 1301 CG2 VAL A 85 1.877 8.350 -2.807 1.00 12.01 C ATOM 0 H VAL A 85 2.555 10.513 -4.412 1.00 74.52 H new ATOM 0 HA VAL A 85 4.458 8.486 -3.724 1.00 53.34 H new ATOM 0 HB VAL A 85 1.687 8.257 -4.953 1.00 63.31 H new ATOM 0 HG11 VAL A 85 1.715 5.926 -4.136 1.00 43.00 H new ATOM 0 HG12 VAL A 85 2.975 6.218 -5.358 1.00 43.00 H new ATOM 0 HG13 VAL A 85 3.411 6.124 -3.636 1.00 43.00 H new ATOM 0 HG21 VAL A 85 0.964 7.786 -2.615 1.00 12.01 H new ATOM 0 HG22 VAL A 85 2.620 8.108 -2.047 1.00 12.01 H new ATOM 0 HG23 VAL A 85 1.658 9.417 -2.773 1.00 12.01 H new ATOM 1311 N GLU A 86 5.627 8.246 -5.924 1.00 12.22 N ATOM 1312 CA GLU A 86 6.369 7.879 -7.142 1.00 42.52 C ATOM 1313 C GLU A 86 6.313 6.356 -7.364 1.00 73.32 C ATOM 1314 O GLU A 86 6.407 5.878 -8.502 1.00 21.41 O ATOM 1315 CB GLU A 86 7.833 8.376 -7.014 1.00 52.22 C ATOM 1316 CG GLU A 86 7.942 9.897 -6.730 1.00 55.04 C ATOM 1317 CD GLU A 86 9.382 10.402 -6.560 1.00 22.23 C ATOM 1318 OE1 GLU A 86 9.959 10.217 -5.475 1.00 71.32 O ATOM 1319 OE2 GLU A 86 9.928 11.018 -7.498 1.00 52.13 O ATOM 0 H GLU A 86 6.221 8.323 -5.099 1.00 12.22 H new ATOM 0 HA GLU A 86 5.912 8.354 -8.010 1.00 42.52 H new ATOM 0 HB2 GLU A 86 8.327 7.827 -6.212 1.00 52.22 H new ATOM 0 HB3 GLU A 86 8.369 8.146 -7.935 1.00 52.22 H new ATOM 0 HG2 GLU A 86 7.471 10.443 -7.548 1.00 55.04 H new ATOM 0 HG3 GLU A 86 7.378 10.128 -5.826 1.00 55.04 H new ATOM 1326 N GLY A 87 6.142 5.612 -6.259 1.00 42.54 N ATOM 1327 CA GLY A 87 6.047 4.160 -6.299 1.00 25.41 C ATOM 1328 C GLY A 87 5.737 3.565 -4.934 1.00 5.40 C ATOM 1329 O GLY A 87 5.586 4.294 -3.949 1.00 62.22 O ATOM 0 H GLY A 87 6.067 6.006 -5.321 1.00 42.54 H new ATOM 0 HA2 GLY A 87 5.270 3.868 -7.005 1.00 25.41 H new ATOM 0 HA3 GLY A 87 6.985 3.747 -6.669 1.00 25.41 H new ATOM 1333 N VAL A 88 5.610 2.228 -4.893 1.00 21.41 N ATOM 1334 CA VAL A 88 5.423 1.435 -3.655 1.00 43.13 C ATOM 1335 C VAL A 88 6.416 0.259 -3.687 1.00 72.41 C ATOM 1336 O VAL A 88 6.726 -0.247 -4.768 1.00 54.34 O ATOM 1337 CB VAL A 88 3.929 0.900 -3.523 1.00 31.32 C ATOM 1338 CG1 VAL A 88 3.743 -0.076 -2.329 1.00 24.44 C ATOM 1339 CG2 VAL A 88 2.925 2.068 -3.417 1.00 12.14 C ATOM 0 H VAL A 88 5.634 1.652 -5.734 1.00 21.41 H new ATOM 0 HA VAL A 88 5.610 2.068 -2.788 1.00 43.13 H new ATOM 0 HB VAL A 88 3.726 0.339 -4.435 1.00 31.32 H new ATOM 0 HG11 VAL A 88 2.706 -0.408 -2.289 1.00 24.44 H new ATOM 0 HG12 VAL A 88 4.395 -0.939 -2.460 1.00 24.44 H new ATOM 0 HG13 VAL A 88 3.997 0.433 -1.400 1.00 24.44 H new ATOM 0 HG21 VAL A 88 1.914 1.671 -3.328 1.00 12.14 H new ATOM 0 HG22 VAL A 88 3.158 2.669 -2.538 1.00 12.14 H new ATOM 0 HG23 VAL A 88 2.994 2.689 -4.310 1.00 12.14 H new ATOM 1349 N GLU A 89 6.924 -0.161 -2.521 1.00 34.55 N ATOM 1350 CA GLU A 89 7.868 -1.287 -2.412 1.00 32.05 C ATOM 1351 C GLU A 89 7.356 -2.305 -1.387 1.00 61.43 C ATOM 1352 O GLU A 89 6.778 -1.920 -0.364 1.00 31.30 O ATOM 1353 CB GLU A 89 9.283 -0.776 -1.996 1.00 33.23 C ATOM 1354 CG GLU A 89 10.381 -1.868 -2.012 1.00 64.31 C ATOM 1355 CD GLU A 89 11.783 -1.312 -1.735 1.00 31.21 C ATOM 1356 OE1 GLU A 89 12.440 -0.835 -2.685 1.00 34.14 O ATOM 1357 OE2 GLU A 89 12.230 -1.347 -0.566 1.00 43.22 O ATOM 0 H GLU A 89 6.694 0.269 -1.625 1.00 34.55 H new ATOM 0 HA GLU A 89 7.945 -1.770 -3.386 1.00 32.05 H new ATOM 0 HB2 GLU A 89 9.578 0.030 -2.668 1.00 33.23 H new ATOM 0 HB3 GLU A 89 9.224 -0.351 -0.994 1.00 33.23 H new ATOM 0 HG2 GLU A 89 10.143 -2.626 -1.266 1.00 64.31 H new ATOM 0 HG3 GLU A 89 10.378 -2.364 -2.983 1.00 64.31 H new ATOM 1364 N GLN A 90 7.577 -3.601 -1.670 1.00 15.24 N ATOM 1365 CA GLN A 90 7.334 -4.683 -0.712 1.00 13.00 C ATOM 1366 C GLN A 90 8.567 -4.810 0.181 1.00 63.43 C ATOM 1367 O GLN A 90 9.669 -5.097 -0.312 1.00 51.52 O ATOM 1368 CB GLN A 90 7.078 -6.035 -1.426 1.00 50.05 C ATOM 1369 CG GLN A 90 6.871 -7.239 -0.460 1.00 54.34 C ATOM 1370 CD GLN A 90 6.922 -8.610 -1.136 1.00 60.43 C ATOM 1371 OE1 GLN A 90 7.629 -8.810 -2.122 1.00 71.41 O ATOM 1372 NE2 GLN A 90 6.183 -9.570 -0.608 1.00 53.35 N ATOM 0 H GLN A 90 7.929 -3.923 -2.571 1.00 15.24 H new ATOM 0 HA GLN A 90 6.445 -4.444 -0.129 1.00 13.00 H new ATOM 0 HB2 GLN A 90 6.197 -5.937 -2.060 1.00 50.05 H new ATOM 0 HB3 GLN A 90 7.921 -6.251 -2.083 1.00 50.05 H new ATOM 0 HG2 GLN A 90 7.636 -7.202 0.316 1.00 54.34 H new ATOM 0 HG3 GLN A 90 5.907 -7.128 0.037 1.00 54.34 H new ATOM 0 HE21 GLN A 90 5.605 -9.377 0.210 1.00 53.35 H new ATOM 0 HE22 GLN A 90 6.190 -10.504 -1.019 1.00 53.35 H new ATOM 1381 N VAL A 91 8.390 -4.572 1.475 1.00 22.31 N ATOM 1382 CA VAL A 91 9.454 -4.711 2.470 1.00 1.12 C ATOM 1383 C VAL A 91 9.081 -5.800 3.489 1.00 64.12 C ATOM 1384 O VAL A 91 8.116 -5.668 4.259 1.00 22.21 O ATOM 1385 CB VAL A 91 9.777 -3.341 3.180 1.00 60.44 C ATOM 1386 CG1 VAL A 91 10.575 -2.393 2.248 1.00 63.25 C ATOM 1387 CG2 VAL A 91 8.490 -2.652 3.672 1.00 23.11 C ATOM 0 H VAL A 91 7.498 -4.274 1.870 1.00 22.31 H new ATOM 0 HA VAL A 91 10.365 -5.015 1.954 1.00 1.12 H new ATOM 0 HB VAL A 91 10.399 -3.565 4.046 1.00 60.44 H new ATOM 0 HG11 VAL A 91 10.780 -1.458 2.769 1.00 63.25 H new ATOM 0 HG12 VAL A 91 11.516 -2.866 1.967 1.00 63.25 H new ATOM 0 HG13 VAL A 91 9.990 -2.187 1.351 1.00 63.25 H new ATOM 0 HG21 VAL A 91 8.744 -1.710 4.157 1.00 23.11 H new ATOM 0 HG22 VAL A 91 7.834 -2.458 2.823 1.00 23.11 H new ATOM 0 HG23 VAL A 91 7.979 -3.301 4.384 1.00 23.11 H new