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 72 ASN : amide:sc= -0.0217 K(o=-1.3,f=-2.5!) USER MOD Set 1.2: A 75 GLN : amide:sc= -1.07 X(o=-1.3,f=-1.3) USER MOD Set 1.3: A 76 ASN : amide:sc= 0 X(o=-1.3,f=-1.6) USER MOD Set 1.4: A 79 GLN : amide:sc= -0.211 X(o=-1.3,f=-1.3) USER MOD Single : A 22 MET CE :methyl 169:sc= -0.0408 (180deg=-0.243) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -77:sc= 1.18 USER MOD Single : A 34 THR OG1 : rot 87:sc= 0.856 USER MOD Single : A 36 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.22) USER MOD Single : A 44 TYR OH : rot -140:sc= -2.22! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.246 X(o=0.25,f=-0.23) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.45 X(o=-1.4,f=-1) USER MOD Single : A 59 SER OG : rot -156:sc= 0.5 USER MOD Single : A 60 CYS SG : rot 3:sc= 0.975 USER MOD Single : A 61 THR OG1 : rot -93:sc= 0.165 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 133:sc= 0.762 USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.721 USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00963) USER MOD Single : A 77 MET CE :methyl 174:sc= -1.66 (180deg=-1.72) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.138 USER MOD Single : A 90 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 3.854 15.551 7.241 1.00 43.30 N ATOM 242 CA ASP A 17 3.462 14.166 7.531 1.00 24.40 C ATOM 243 C ASP A 17 1.958 13.945 7.286 1.00 62.22 C ATOM 244 O ASP A 17 1.469 12.852 7.506 1.00 63.14 O ATOM 245 CB ASP A 17 3.841 13.773 8.988 1.00 35.02 C ATOM 246 CG ASP A 17 3.016 14.502 10.075 1.00 1.21 C ATOM 247 OD1 ASP A 17 3.301 15.679 10.365 1.00 15.51 O ATOM 248 OD2 ASP A 17 2.075 13.893 10.638 1.00 40.42 O ATOM 0 HA ASP A 17 4.012 13.520 6.847 1.00 24.40 H new ATOM 0 HB2 ASP A 17 3.710 12.698 9.108 1.00 35.02 H new ATOM 0 HB3 ASP A 17 4.898 13.985 9.147 1.00 35.02 H new ATOM 253 N GLY A 18 1.236 15.011 6.877 1.00 25.20 N ATOM 254 CA GLY A 18 -0.132 14.909 6.382 1.00 20.44 C ATOM 255 C GLY A 18 -0.266 13.993 5.167 1.00 52.45 C ATOM 256 O GLY A 18 -1.262 13.279 5.039 1.00 22.44 O ATOM 0 H GLY A 18 1.597 15.965 6.886 1.00 25.20 H new ATOM 0 HA2 GLY A 18 -0.774 14.538 7.181 1.00 20.44 H new ATOM 0 HA3 GLY A 18 -0.492 15.904 6.120 1.00 20.44 H new ATOM 260 N VAL A 19 0.751 14.026 4.279 1.00 14.42 N ATOM 261 CA VAL A 19 0.872 13.087 3.151 1.00 62.34 C ATOM 262 C VAL A 19 0.972 11.654 3.686 1.00 44.31 C ATOM 263 O VAL A 19 0.194 10.778 3.312 1.00 62.44 O ATOM 264 CB VAL A 19 2.134 13.400 2.251 1.00 52.35 C ATOM 265 CG1 VAL A 19 2.342 12.323 1.149 1.00 1.51 C ATOM 266 CG2 VAL A 19 2.024 14.803 1.609 1.00 34.14 C ATOM 0 H VAL A 19 1.510 14.706 4.327 1.00 14.42 H new ATOM 0 HA VAL A 19 -0.017 13.200 2.530 1.00 62.34 H new ATOM 0 HB VAL A 19 3.004 13.381 2.907 1.00 52.35 H new ATOM 0 HG11 VAL A 19 3.219 12.576 0.554 1.00 1.51 H new ATOM 0 HG12 VAL A 19 2.489 11.349 1.615 1.00 1.51 H new ATOM 0 HG13 VAL A 19 1.464 12.288 0.504 1.00 1.51 H new ATOM 0 HG21 VAL A 19 2.905 14.992 0.995 1.00 34.14 H new ATOM 0 HG22 VAL A 19 1.131 14.849 0.986 1.00 34.14 H new ATOM 0 HG23 VAL A 19 1.959 15.558 2.393 1.00 34.14 H new ATOM 276 N VAL A 20 1.919 11.467 4.609 1.00 65.11 N ATOM 277 CA VAL A 20 2.210 10.180 5.260 1.00 30.15 C ATOM 278 C VAL A 20 0.968 9.661 6.032 1.00 2.54 C ATOM 279 O VAL A 20 0.675 8.454 6.031 1.00 64.41 O ATOM 280 CB VAL A 20 3.452 10.356 6.225 1.00 52.13 C ATOM 281 CG1 VAL A 20 3.787 9.058 6.990 1.00 52.50 C ATOM 282 CG2 VAL A 20 4.694 10.859 5.434 1.00 51.32 C ATOM 0 H VAL A 20 2.521 12.223 4.935 1.00 65.11 H new ATOM 0 HA VAL A 20 2.454 9.436 4.501 1.00 30.15 H new ATOM 0 HB VAL A 20 3.177 11.106 6.967 1.00 52.13 H new ATOM 0 HG11 VAL A 20 4.646 9.229 7.639 1.00 52.50 H new ATOM 0 HG12 VAL A 20 2.930 8.760 7.594 1.00 52.50 H new ATOM 0 HG13 VAL A 20 4.022 8.267 6.278 1.00 52.50 H new ATOM 0 HG21 VAL A 20 5.537 10.974 6.115 1.00 51.32 H new ATOM 0 HG22 VAL A 20 4.949 10.136 4.659 1.00 51.32 H new ATOM 0 HG23 VAL A 20 4.467 11.820 4.973 1.00 51.32 H new ATOM 292 N ALA A 21 0.204 10.609 6.599 1.00 43.00 N ATOM 293 CA ALA A 21 -0.968 10.325 7.441 1.00 44.03 C ATOM 294 C ALA A 21 -2.150 9.864 6.589 1.00 21.42 C ATOM 295 O ALA A 21 -2.860 8.920 6.957 1.00 72.31 O ATOM 296 CB ALA A 21 -1.361 11.565 8.271 1.00 24.40 C ATOM 0 H ALA A 21 0.386 11.606 6.484 1.00 43.00 H new ATOM 0 HA ALA A 21 -0.700 9.521 8.126 1.00 44.03 H new ATOM 0 HB1 ALA A 21 -2.230 11.331 8.886 1.00 24.40 H new ATOM 0 HB2 ALA A 21 -0.529 11.851 8.914 1.00 24.40 H new ATOM 0 HB3 ALA A 21 -1.602 12.390 7.601 1.00 24.40 H new ATOM 302 N MET A 22 -2.352 10.535 5.440 1.00 12.22 N ATOM 303 CA MET A 22 -3.446 10.198 4.527 1.00 34.14 C ATOM 304 C MET A 22 -3.155 8.860 3.829 1.00 72.23 C ATOM 305 O MET A 22 -4.083 8.121 3.547 1.00 73.34 O ATOM 306 CB MET A 22 -3.733 11.334 3.502 1.00 11.34 C ATOM 307 CG MET A 22 -2.677 11.536 2.421 1.00 1.51 C ATOM 308 SD MET A 22 -3.082 12.857 1.260 1.00 25.42 S ATOM 309 CE MET A 22 -2.948 14.320 2.293 1.00 31.43 C ATOM 0 H MET A 22 -1.770 11.312 5.127 1.00 12.22 H new ATOM 0 HA MET A 22 -4.355 10.090 5.118 1.00 34.14 H new ATOM 0 HB2 MET A 22 -4.687 11.127 3.017 1.00 11.34 H new ATOM 0 HB3 MET A 22 -3.850 12.270 4.049 1.00 11.34 H new ATOM 0 HG2 MET A 22 -1.721 11.759 2.895 1.00 1.51 H new ATOM 0 HG3 MET A 22 -2.550 10.604 1.870 1.00 1.51 H new ATOM 0 HE1 MET A 22 -2.979 15.212 1.667 1.00 31.43 H new ATOM 0 HE2 MET A 22 -3.778 14.344 3.000 1.00 31.43 H new ATOM 0 HE3 MET A 22 -2.006 14.294 2.841 1.00 31.43 H new ATOM 319 N ILE A 23 -1.857 8.539 3.594 1.00 11.34 N ATOM 320 CA ILE A 23 -1.453 7.212 3.093 1.00 71.21 C ATOM 321 C ILE A 23 -1.935 6.134 4.078 1.00 52.21 C ATOM 322 O ILE A 23 -2.612 5.189 3.674 1.00 54.33 O ATOM 323 CB ILE A 23 0.111 7.086 2.882 1.00 21.31 C ATOM 324 CG1 ILE A 23 0.621 8.077 1.792 1.00 52.04 C ATOM 325 CG2 ILE A 23 0.511 5.639 2.507 1.00 4.31 C ATOM 326 CD1 ILE A 23 2.140 8.149 1.627 1.00 42.31 C ATOM 0 H ILE A 23 -1.080 9.182 3.745 1.00 11.34 H new ATOM 0 HA ILE A 23 -1.915 7.074 2.115 1.00 71.21 H new ATOM 0 HB ILE A 23 0.583 7.344 3.830 1.00 21.31 H new ATOM 0 HG12 ILE A 23 0.182 7.795 0.835 1.00 52.04 H new ATOM 0 HG13 ILE A 23 0.251 9.074 2.031 1.00 52.04 H new ATOM 0 HG21 ILE A 23 1.591 5.584 2.369 1.00 4.31 H new ATOM 0 HG22 ILE A 23 0.213 4.960 3.306 1.00 4.31 H new ATOM 0 HG23 ILE A 23 0.012 5.352 1.582 1.00 4.31 H new ATOM 0 HD11 ILE A 23 2.387 8.867 0.845 1.00 42.31 H new ATOM 0 HD12 ILE A 23 2.593 8.465 2.566 1.00 42.31 H new ATOM 0 HD13 ILE A 23 2.523 7.166 1.352 1.00 42.31 H new ATOM 338 N LYS A 24 -1.624 6.339 5.378 1.00 63.13 N ATOM 339 CA LYS A 24 -2.007 5.414 6.466 1.00 51.43 C ATOM 340 C LYS A 24 -3.524 5.133 6.503 1.00 61.30 C ATOM 341 O LYS A 24 -3.926 3.973 6.710 1.00 71.12 O ATOM 342 CB LYS A 24 -1.557 5.980 7.832 1.00 74.35 C ATOM 343 CG LYS A 24 -0.030 6.074 8.000 1.00 32.31 C ATOM 344 CD LYS A 24 0.366 6.827 9.290 1.00 54.12 C ATOM 345 CE LYS A 24 1.884 6.941 9.476 1.00 31.24 C ATOM 346 NZ LYS A 24 2.241 7.781 10.644 1.00 53.54 N ATOM 0 H LYS A 24 -1.100 7.152 5.701 1.00 63.13 H new ATOM 0 HA LYS A 24 -1.502 4.469 6.265 1.00 51.43 H new ATOM 0 HB2 LYS A 24 -1.988 6.973 7.962 1.00 74.35 H new ATOM 0 HB3 LYS A 24 -1.961 5.351 8.625 1.00 74.35 H new ATOM 0 HG2 LYS A 24 0.395 5.070 8.021 1.00 32.31 H new ATOM 0 HG3 LYS A 24 0.399 6.583 7.137 1.00 32.31 H new ATOM 0 HD2 LYS A 24 -0.068 7.827 9.268 1.00 54.12 H new ATOM 0 HD3 LYS A 24 -0.062 6.313 10.150 1.00 54.12 H new ATOM 0 HE2 LYS A 24 2.309 5.945 9.603 1.00 31.24 H new ATOM 0 HE3 LYS A 24 2.328 7.365 8.576 1.00 31.24 H new ATOM 0 HZ1 LYS A 24 3.276 7.831 10.732 1.00 53.54 H new ATOM 0 HZ2 LYS A 24 1.858 8.739 10.513 1.00 53.54 H new ATOM 0 HZ3 LYS A 24 1.840 7.363 11.508 1.00 53.54 H new ATOM 360 N GLU A 25 -4.356 6.181 6.298 1.00 11.33 N ATOM 361 CA GLU A 25 -5.818 6.028 6.366 1.00 10.34 C ATOM 362 C GLU A 25 -6.324 5.302 5.106 1.00 13.42 C ATOM 363 O GLU A 25 -7.123 4.392 5.218 1.00 64.34 O ATOM 364 CB GLU A 25 -6.564 7.389 6.572 1.00 4.45 C ATOM 365 CG GLU A 25 -6.774 8.241 5.303 1.00 21.34 C ATOM 366 CD GLU A 25 -7.616 9.499 5.542 1.00 32.24 C ATOM 367 OE1 GLU A 25 -8.856 9.376 5.634 1.00 61.44 O ATOM 368 OE2 GLU A 25 -7.054 10.600 5.640 1.00 64.30 O ATOM 0 H GLU A 25 -4.040 7.128 6.087 1.00 11.33 H new ATOM 0 HA GLU A 25 -6.044 5.426 7.246 1.00 10.34 H new ATOM 0 HB2 GLU A 25 -7.539 7.183 7.014 1.00 4.45 H new ATOM 0 HB3 GLU A 25 -6.005 7.982 7.296 1.00 4.45 H new ATOM 0 HG2 GLU A 25 -5.802 8.534 4.907 1.00 21.34 H new ATOM 0 HG3 GLU A 25 -7.257 7.630 4.541 1.00 21.34 H new ATOM 375 N LEU A 26 -5.799 5.685 3.914 1.00 63.42 N ATOM 376 CA LEU A 26 -6.220 5.123 2.607 1.00 31.32 C ATOM 377 C LEU A 26 -5.906 3.625 2.529 1.00 73.32 C ATOM 378 O LEU A 26 -6.647 2.859 1.903 1.00 74.54 O ATOM 379 CB LEU A 26 -5.525 5.880 1.451 1.00 65.12 C ATOM 380 CG LEU A 26 -5.946 7.369 1.271 1.00 71.54 C ATOM 381 CD1 LEU A 26 -5.010 8.100 0.301 1.00 74.03 C ATOM 382 CD2 LEU A 26 -7.409 7.478 0.814 1.00 43.22 C ATOM 0 H LEU A 26 -5.070 6.394 3.833 1.00 63.42 H new ATOM 0 HA LEU A 26 -7.299 5.249 2.512 1.00 31.32 H new ATOM 0 HB2 LEU A 26 -4.448 5.843 1.612 1.00 65.12 H new ATOM 0 HB3 LEU A 26 -5.726 5.349 0.520 1.00 65.12 H new ATOM 0 HG LEU A 26 -5.861 7.856 2.242 1.00 71.54 H new ATOM 0 HD11 LEU A 26 -5.331 9.136 0.197 1.00 74.03 H new ATOM 0 HD12 LEU A 26 -3.991 8.073 0.688 1.00 74.03 H new ATOM 0 HD13 LEU A 26 -5.041 7.611 -0.673 1.00 74.03 H new ATOM 0 HD21 LEU A 26 -7.676 8.528 0.696 1.00 43.22 H new ATOM 0 HD22 LEU A 26 -7.532 6.963 -0.139 1.00 43.22 H new ATOM 0 HD23 LEU A 26 -8.058 7.020 1.560 1.00 43.22 H new ATOM 394 N LEU A 27 -4.800 3.221 3.177 1.00 51.03 N ATOM 395 CA LEU A 27 -4.456 1.814 3.349 1.00 54.23 C ATOM 396 C LEU A 27 -5.504 1.142 4.237 1.00 53.40 C ATOM 397 O LEU A 27 -6.167 0.212 3.816 1.00 23.15 O ATOM 398 CB LEU A 27 -3.048 1.661 3.981 1.00 65.21 C ATOM 399 CG LEU A 27 -1.855 2.204 3.140 1.00 25.41 C ATOM 400 CD1 LEU A 27 -0.544 2.128 3.932 1.00 24.54 C ATOM 401 CD2 LEU A 27 -1.739 1.463 1.799 1.00 62.45 C ATOM 0 H LEU A 27 -4.126 3.865 3.592 1.00 51.03 H new ATOM 0 HA LEU A 27 -4.441 1.334 2.370 1.00 54.23 H new ATOM 0 HB2 LEU A 27 -3.048 2.170 4.945 1.00 65.21 H new ATOM 0 HB3 LEU A 27 -2.874 0.603 4.179 1.00 65.21 H new ATOM 0 HG LEU A 27 -2.051 3.254 2.921 1.00 25.41 H new ATOM 0 HD11 LEU A 27 0.273 2.513 3.322 1.00 24.54 H new ATOM 0 HD12 LEU A 27 -0.632 2.725 4.839 1.00 24.54 H new ATOM 0 HD13 LEU A 27 -0.340 1.091 4.199 1.00 24.54 H new ATOM 0 HD21 LEU A 27 -0.898 1.864 1.234 1.00 62.45 H new ATOM 0 HD22 LEU A 27 -1.580 0.401 1.983 1.00 62.45 H new ATOM 0 HD23 LEU A 27 -2.657 1.599 1.228 1.00 62.45 H new ATOM 413 N ASP A 28 -5.699 1.694 5.440 1.00 44.34 N ATOM 414 CA ASP A 28 -6.508 1.050 6.497 1.00 10.32 C ATOM 415 C ASP A 28 -7.998 0.926 6.101 1.00 11.52 C ATOM 416 O ASP A 28 -8.663 -0.041 6.473 1.00 13.53 O ATOM 417 CB ASP A 28 -6.351 1.841 7.815 1.00 62.32 C ATOM 418 CG ASP A 28 -6.964 1.134 9.032 1.00 24.12 C ATOM 419 OD1 ASP A 28 -6.301 0.248 9.610 1.00 35.11 O ATOM 420 OD2 ASP A 28 -8.114 1.442 9.399 1.00 53.51 O ATOM 0 H ASP A 28 -5.306 2.594 5.713 1.00 44.34 H new ATOM 0 HA ASP A 28 -6.139 0.034 6.635 1.00 10.32 H new ATOM 0 HB2 ASP A 28 -5.291 2.014 8.001 1.00 62.32 H new ATOM 0 HB3 ASP A 28 -6.818 2.819 7.700 1.00 62.32 H new ATOM 425 N THR A 29 -8.488 1.896 5.319 1.00 54.12 N ATOM 426 CA THR A 29 -9.902 2.003 4.943 1.00 34.32 C ATOM 427 C THR A 29 -10.207 1.247 3.640 1.00 62.21 C ATOM 428 O THR A 29 -11.217 0.547 3.552 1.00 64.15 O ATOM 429 CB THR A 29 -10.311 3.508 4.790 1.00 32.45 C ATOM 430 OG1 THR A 29 -9.475 4.143 3.808 1.00 51.41 O ATOM 431 CG2 THR A 29 -10.200 4.260 6.132 1.00 21.44 C ATOM 0 H THR A 29 -7.907 2.636 4.926 1.00 54.12 H new ATOM 0 HA THR A 29 -10.486 1.545 5.741 1.00 34.32 H new ATOM 0 HB THR A 29 -11.351 3.543 4.466 1.00 32.45 H new ATOM 0 HG1 THR A 29 -8.599 4.340 4.202 1.00 51.41 H new ATOM 0 HG21 THR A 29 -10.491 5.301 5.991 1.00 21.44 H new ATOM 0 HG22 THR A 29 -10.859 3.795 6.865 1.00 21.44 H new ATOM 0 HG23 THR A 29 -9.171 4.216 6.490 1.00 21.44 H new ATOM 439 N ARG A 30 -9.327 1.388 2.631 1.00 32.42 N ATOM 440 CA ARG A 30 -9.564 0.801 1.298 1.00 43.11 C ATOM 441 C ARG A 30 -8.805 -0.520 1.123 1.00 64.14 C ATOM 442 O ARG A 30 -9.409 -1.547 0.817 1.00 75.04 O ATOM 443 CB ARG A 30 -9.167 1.788 0.175 1.00 62.25 C ATOM 444 CG ARG A 30 -9.827 3.190 0.270 1.00 62.42 C ATOM 445 CD ARG A 30 -9.643 4.010 -1.018 1.00 51.44 C ATOM 446 NE ARG A 30 -10.348 3.386 -2.157 1.00 61.14 N ATOM 447 CZ ARG A 30 -10.347 3.844 -3.416 1.00 4.41 C ATOM 448 NH1 ARG A 30 -9.703 4.959 -3.736 1.00 53.13 N ATOM 449 NH2 ARG A 30 -11.040 3.200 -4.335 1.00 42.24 N ATOM 0 H ARG A 30 -8.449 1.901 2.712 1.00 32.42 H new ATOM 0 HA ARG A 30 -10.632 0.597 1.224 1.00 43.11 H new ATOM 0 HB2 ARG A 30 -8.084 1.911 0.186 1.00 62.25 H new ATOM 0 HB3 ARG A 30 -9.427 1.345 -0.786 1.00 62.25 H new ATOM 0 HG2 ARG A 30 -10.891 3.075 0.476 1.00 62.42 H new ATOM 0 HG3 ARG A 30 -9.397 3.735 1.110 1.00 62.42 H new ATOM 0 HD2 ARG A 30 -10.019 5.021 -0.865 1.00 51.44 H new ATOM 0 HD3 ARG A 30 -8.581 4.096 -1.248 1.00 51.44 H new ATOM 0 HE ARG A 30 -10.880 2.536 -1.969 1.00 61.14 H new ATOM 0 HH11 ARG A 30 -9.199 5.481 -3.019 1.00 53.13 H new ATOM 0 HH12 ARG A 30 -9.712 5.295 -4.699 1.00 53.13 H new ATOM 0 HH21 ARG A 30 -11.568 2.364 -4.083 1.00 42.24 H new ATOM 0 HH22 ARG A 30 -11.048 3.538 -5.297 1.00 42.24 H new ATOM 463 N ILE A 31 -7.481 -0.481 1.358 1.00 41.01 N ATOM 464 CA ILE A 31 -6.565 -1.581 0.986 1.00 22.34 C ATOM 465 C ILE A 31 -6.686 -2.763 1.964 1.00 15.40 C ATOM 466 O ILE A 31 -7.105 -3.839 1.542 1.00 50.30 O ATOM 467 CB ILE A 31 -5.076 -1.077 0.895 1.00 31.34 C ATOM 468 CG1 ILE A 31 -4.932 0.096 -0.130 1.00 5.03 C ATOM 469 CG2 ILE A 31 -4.109 -2.232 0.548 1.00 3.03 C ATOM 470 CD1 ILE A 31 -5.308 -0.241 -1.560 1.00 22.12 C ATOM 0 H ILE A 31 -7.016 0.307 1.808 1.00 41.01 H new ATOM 0 HA ILE A 31 -6.860 -1.933 -0.002 1.00 22.34 H new ATOM 0 HB ILE A 31 -4.803 -0.697 1.879 1.00 31.34 H new ATOM 0 HG12 ILE A 31 -5.553 0.927 0.205 1.00 5.03 H new ATOM 0 HG13 ILE A 31 -3.899 0.444 -0.116 1.00 5.03 H new ATOM 0 HG21 ILE A 31 -3.090 -1.849 0.493 1.00 3.03 H new ATOM 0 HG22 ILE A 31 -4.167 -3.000 1.320 1.00 3.03 H new ATOM 0 HG23 ILE A 31 -4.387 -2.663 -0.414 1.00 3.03 H new ATOM 0 HD11 ILE A 31 -5.173 0.639 -2.189 1.00 22.12 H new ATOM 0 HD12 ILE A 31 -4.671 -1.048 -1.923 1.00 22.12 H new ATOM 0 HD13 ILE A 31 -6.351 -0.557 -1.597 1.00 22.12 H new ATOM 482 N ARG A 32 -6.349 -2.532 3.263 1.00 2.13 N ATOM 483 CA ARG A 32 -6.352 -3.576 4.321 1.00 32.31 C ATOM 484 C ARG A 32 -7.610 -4.480 4.282 1.00 60.04 C ATOM 485 O ARG A 32 -7.423 -5.688 4.240 1.00 41.12 O ATOM 486 CB ARG A 32 -6.183 -2.993 5.755 1.00 2.14 C ATOM 487 CG ARG A 32 -4.828 -2.312 6.036 1.00 4.11 C ATOM 488 CD ARG A 32 -4.620 -1.998 7.531 1.00 73.01 C ATOM 489 NE ARG A 32 -4.539 -3.242 8.320 1.00 4.41 N ATOM 490 CZ ARG A 32 -5.152 -3.503 9.491 1.00 71.25 C ATOM 491 NH1 ARG A 32 -5.934 -2.609 10.077 1.00 43.22 N ATOM 492 NH2 ARG A 32 -4.989 -4.691 10.059 1.00 63.15 N ATOM 0 H ARG A 32 -6.067 -1.613 3.604 1.00 2.13 H new ATOM 0 HA ARG A 32 -5.480 -4.189 4.092 1.00 32.31 H new ATOM 0 HB2 ARG A 32 -6.978 -2.268 5.930 1.00 2.14 H new ATOM 0 HB3 ARG A 32 -6.322 -3.799 6.475 1.00 2.14 H new ATOM 0 HG2 ARG A 32 -4.022 -2.958 5.689 1.00 4.11 H new ATOM 0 HG3 ARG A 32 -4.765 -1.387 5.462 1.00 4.11 H new ATOM 0 HD2 ARG A 32 -3.706 -1.419 7.662 1.00 73.01 H new ATOM 0 HD3 ARG A 32 -5.443 -1.383 7.896 1.00 73.01 H new ATOM 0 HE ARG A 32 -3.955 -3.986 7.937 1.00 4.41 H new ATOM 0 HH11 ARG A 32 -6.083 -1.699 9.642 1.00 43.22 H new ATOM 0 HH12 ARG A 32 -6.387 -2.831 10.964 1.00 43.22 H new ATOM 0 HH21 ARG A 32 -4.404 -5.395 9.609 1.00 63.15 H new ATOM 0 HH22 ARG A 32 -5.448 -4.900 10.946 1.00 63.15 H new ATOM 506 N PRO A 33 -8.903 -3.934 4.263 1.00 71.41 N ATOM 507 CA PRO A 33 -10.129 -4.778 4.139 1.00 21.32 C ATOM 508 C PRO A 33 -10.049 -5.755 2.948 1.00 21.24 C ATOM 509 O PRO A 33 -10.237 -6.953 3.129 1.00 3.52 O ATOM 510 CB PRO A 33 -11.270 -3.740 3.941 1.00 44.23 C ATOM 511 CG PRO A 33 -10.767 -2.495 4.593 1.00 53.53 C ATOM 512 CD PRO A 33 -9.275 -2.485 4.343 1.00 52.13 C ATOM 0 HA PRO A 33 -10.277 -5.417 5.010 1.00 21.32 H new ATOM 0 HB2 PRO A 33 -11.478 -3.577 2.884 1.00 44.23 H new ATOM 0 HB3 PRO A 33 -12.199 -4.080 4.400 1.00 44.23 H new ATOM 0 HG2 PRO A 33 -11.242 -1.610 4.169 1.00 53.53 H new ATOM 0 HG3 PRO A 33 -10.986 -2.494 5.661 1.00 53.53 H new ATOM 0 HD2 PRO A 33 -9.030 -1.960 3.420 1.00 52.13 H new ATOM 0 HD3 PRO A 33 -8.740 -1.981 5.148 1.00 52.13 H new ATOM 520 N THR A 34 -9.680 -5.219 1.761 1.00 64.11 N ATOM 521 CA THR A 34 -9.582 -5.985 0.494 1.00 64.34 C ATOM 522 C THR A 34 -8.555 -7.139 0.600 1.00 75.22 C ATOM 523 O THR A 34 -8.820 -8.264 0.168 1.00 42.42 O ATOM 524 CB THR A 34 -9.185 -5.035 -0.691 1.00 1.34 C ATOM 525 OG1 THR A 34 -10.020 -3.873 -0.667 1.00 53.33 O ATOM 526 CG2 THR A 34 -9.319 -5.715 -2.065 1.00 72.32 C ATOM 0 H THR A 34 -9.440 -4.234 1.654 1.00 64.11 H new ATOM 0 HA THR A 34 -10.563 -6.419 0.301 1.00 64.34 H new ATOM 0 HB THR A 34 -8.137 -4.768 -0.553 1.00 1.34 H new ATOM 0 HG1 THR A 34 -9.625 -3.198 -0.077 1.00 53.33 H new ATOM 0 HG21 THR A 34 -9.032 -5.013 -2.848 1.00 72.32 H new ATOM 0 HG22 THR A 34 -8.668 -6.588 -2.104 1.00 72.32 H new ATOM 0 HG23 THR A 34 -10.352 -6.026 -2.218 1.00 72.32 H new ATOM 534 N VAL A 35 -7.392 -6.831 1.193 1.00 11.14 N ATOM 535 CA VAL A 35 -6.290 -7.799 1.372 1.00 43.44 C ATOM 536 C VAL A 35 -6.679 -8.876 2.419 1.00 30.04 C ATOM 537 O VAL A 35 -6.304 -10.044 2.302 1.00 55.11 O ATOM 538 CB VAL A 35 -4.958 -7.055 1.787 1.00 70.04 C ATOM 539 CG1 VAL A 35 -3.748 -8.004 1.747 1.00 44.42 C ATOM 540 CG2 VAL A 35 -4.690 -5.832 0.879 1.00 74.22 C ATOM 0 H VAL A 35 -7.185 -5.904 1.564 1.00 11.14 H new ATOM 0 HA VAL A 35 -6.111 -8.302 0.422 1.00 43.44 H new ATOM 0 HB VAL A 35 -5.095 -6.708 2.811 1.00 70.04 H new ATOM 0 HG11 VAL A 35 -2.849 -7.460 2.038 1.00 44.42 H new ATOM 0 HG12 VAL A 35 -3.911 -8.831 2.438 1.00 44.42 H new ATOM 0 HG13 VAL A 35 -3.625 -8.394 0.737 1.00 44.42 H new ATOM 0 HG21 VAL A 35 -3.767 -5.343 1.191 1.00 74.22 H new ATOM 0 HG22 VAL A 35 -4.595 -6.161 -0.156 1.00 74.22 H new ATOM 0 HG23 VAL A 35 -5.519 -5.129 0.961 1.00 74.22 H new ATOM 550 N GLN A 36 -7.488 -8.458 3.417 1.00 41.52 N ATOM 551 CA GLN A 36 -8.010 -9.347 4.480 1.00 62.40 C ATOM 552 C GLN A 36 -9.162 -10.230 3.951 1.00 5.30 C ATOM 553 O GLN A 36 -9.472 -11.260 4.555 1.00 53.34 O ATOM 554 CB GLN A 36 -8.455 -8.518 5.718 1.00 53.40 C ATOM 555 CG GLN A 36 -7.289 -7.819 6.463 1.00 62.44 C ATOM 556 CD GLN A 36 -7.736 -6.849 7.571 1.00 0.44 C ATOM 557 OE1 GLN A 36 -8.768 -7.047 8.209 1.00 23.22 O ATOM 558 NE2 GLN A 36 -6.960 -5.794 7.803 1.00 21.21 N ATOM 0 H GLN A 36 -7.799 -7.491 3.509 1.00 41.52 H new ATOM 0 HA GLN A 36 -7.205 -10.012 4.793 1.00 62.40 H new ATOM 0 HB2 GLN A 36 -9.172 -7.762 5.397 1.00 53.40 H new ATOM 0 HB3 GLN A 36 -8.975 -9.176 6.415 1.00 53.40 H new ATOM 0 HG2 GLN A 36 -6.645 -8.581 6.902 1.00 62.44 H new ATOM 0 HG3 GLN A 36 -6.687 -7.271 5.738 1.00 62.44 H new ATOM 0 HE21 GLN A 36 -6.109 -5.657 7.257 1.00 21.21 H new ATOM 0 HE22 GLN A 36 -7.215 -5.122 8.527 1.00 21.21 H new ATOM 567 N GLU A 37 -9.780 -9.830 2.814 1.00 65.12 N ATOM 568 CA GLU A 37 -10.745 -10.678 2.075 1.00 43.33 C ATOM 569 C GLU A 37 -9.997 -11.868 1.443 1.00 44.31 C ATOM 570 O GLU A 37 -10.539 -12.973 1.333 1.00 64.33 O ATOM 571 CB GLU A 37 -11.468 -9.864 0.961 1.00 23.44 C ATOM 572 CG GLU A 37 -12.252 -8.624 1.441 1.00 61.11 C ATOM 573 CD GLU A 37 -13.486 -8.936 2.308 1.00 11.23 C ATOM 574 OE1 GLU A 37 -13.329 -9.326 3.483 1.00 41.43 O ATOM 575 OE2 GLU A 37 -14.625 -8.749 1.830 1.00 62.33 O ATOM 0 H GLU A 37 -9.625 -8.917 2.386 1.00 65.12 H new ATOM 0 HA GLU A 37 -11.497 -11.039 2.776 1.00 43.33 H new ATOM 0 HB2 GLU A 37 -10.725 -9.541 0.232 1.00 23.44 H new ATOM 0 HB3 GLU A 37 -12.158 -10.528 0.441 1.00 23.44 H new ATOM 0 HG2 GLU A 37 -11.578 -7.983 2.010 1.00 61.11 H new ATOM 0 HG3 GLU A 37 -12.573 -8.054 0.569 1.00 61.11 H new ATOM 582 N ASP A 38 -8.748 -11.603 1.022 1.00 4.40 N ATOM 583 CA ASP A 38 -7.831 -12.632 0.503 1.00 64.20 C ATOM 584 C ASP A 38 -7.184 -13.421 1.664 1.00 2.23 C ATOM 585 O ASP A 38 -6.772 -14.569 1.488 1.00 5.45 O ATOM 586 CB ASP A 38 -6.751 -11.939 -0.375 1.00 2.42 C ATOM 587 CG ASP A 38 -5.669 -12.893 -0.909 1.00 74.31 C ATOM 588 OD1 ASP A 38 -5.988 -13.727 -1.779 1.00 72.34 O ATOM 589 OD2 ASP A 38 -4.507 -12.826 -0.447 1.00 3.20 O ATOM 0 H ASP A 38 -8.345 -10.666 1.032 1.00 4.40 H new ATOM 0 HA ASP A 38 -8.385 -13.347 -0.105 1.00 64.20 H new ATOM 0 HB2 ASP A 38 -7.241 -11.454 -1.219 1.00 2.42 H new ATOM 0 HB3 ASP A 38 -6.272 -11.154 0.210 1.00 2.42 H new ATOM 594 N GLY A 39 -7.140 -12.804 2.853 1.00 24.43 N ATOM 595 CA GLY A 39 -6.614 -13.448 4.058 1.00 4.03 C ATOM 596 C GLY A 39 -5.270 -12.866 4.496 1.00 55.02 C ATOM 597 O GLY A 39 -4.794 -13.173 5.589 1.00 34.32 O ATOM 0 H GLY A 39 -7.467 -11.850 3.003 1.00 24.43 H new ATOM 0 HA2 GLY A 39 -7.335 -13.338 4.868 1.00 4.03 H new ATOM 0 HA3 GLY A 39 -6.501 -14.516 3.875 1.00 4.03 H new ATOM 601 N GLY A 40 -4.653 -12.032 3.636 1.00 30.21 N ATOM 602 CA GLY A 40 -3.405 -11.327 3.979 1.00 61.22 C ATOM 603 C GLY A 40 -3.678 -10.005 4.684 1.00 61.41 C ATOM 604 O GLY A 40 -4.792 -9.786 5.173 1.00 53.42 O ATOM 0 H GLY A 40 -5.000 -11.831 2.698 1.00 30.21 H new ATOM 0 HA2 GLY A 40 -2.794 -11.962 4.620 1.00 61.22 H new ATOM 0 HA3 GLY A 40 -2.830 -11.143 3.071 1.00 61.22 H new ATOM 608 N ASP A 41 -2.674 -9.114 4.716 1.00 31.44 N ATOM 609 CA ASP A 41 -2.803 -7.768 5.316 1.00 25.21 C ATOM 610 C ASP A 41 -1.601 -6.900 4.898 1.00 74.14 C ATOM 611 O ASP A 41 -0.575 -7.425 4.436 1.00 53.34 O ATOM 612 CB ASP A 41 -2.921 -7.858 6.876 1.00 44.52 C ATOM 613 CG ASP A 41 -3.262 -6.517 7.550 1.00 11.45 C ATOM 614 OD1 ASP A 41 -4.091 -5.765 6.997 1.00 22.25 O ATOM 615 OD2 ASP A 41 -2.719 -6.210 8.637 1.00 51.31 O ATOM 0 H ASP A 41 -1.749 -9.302 4.328 1.00 31.44 H new ATOM 0 HA ASP A 41 -3.717 -7.302 4.948 1.00 25.21 H new ATOM 0 HB2 ASP A 41 -3.689 -8.588 7.132 1.00 44.52 H new ATOM 0 HB3 ASP A 41 -1.980 -8.229 7.282 1.00 44.52 H new ATOM 620 N VAL A 42 -1.738 -5.565 5.055 1.00 42.32 N ATOM 621 CA VAL A 42 -0.683 -4.585 4.726 1.00 31.54 C ATOM 622 C VAL A 42 -0.449 -3.652 5.938 1.00 63.00 C ATOM 623 O VAL A 42 -1.400 -3.137 6.550 1.00 24.20 O ATOM 624 CB VAL A 42 -1.019 -3.737 3.424 1.00 42.43 C ATOM 625 CG1 VAL A 42 -1.206 -4.652 2.192 1.00 41.03 C ATOM 626 CG2 VAL A 42 -2.262 -2.836 3.607 1.00 45.51 C ATOM 0 H VAL A 42 -2.590 -5.136 5.416 1.00 42.32 H new ATOM 0 HA VAL A 42 0.228 -5.141 4.506 1.00 31.54 H new ATOM 0 HB VAL A 42 -0.162 -3.085 3.255 1.00 42.43 H new ATOM 0 HG11 VAL A 42 -1.435 -4.043 1.318 1.00 41.03 H new ATOM 0 HG12 VAL A 42 -0.289 -5.213 2.013 1.00 41.03 H new ATOM 0 HG13 VAL A 42 -2.026 -5.346 2.375 1.00 41.03 H new ATOM 0 HG21 VAL A 42 -2.446 -2.279 2.688 1.00 45.51 H new ATOM 0 HG22 VAL A 42 -3.129 -3.455 3.836 1.00 45.51 H new ATOM 0 HG23 VAL A 42 -2.088 -2.138 4.426 1.00 45.51 H new ATOM 636 N ILE A 43 0.827 -3.488 6.311 1.00 43.12 N ATOM 637 CA ILE A 43 1.258 -2.638 7.436 1.00 55.12 C ATOM 638 C ILE A 43 2.097 -1.489 6.858 1.00 4.02 C ATOM 639 O ILE A 43 3.026 -1.742 6.088 1.00 24.45 O ATOM 640 CB ILE A 43 2.132 -3.427 8.512 1.00 71.34 C ATOM 641 CG1 ILE A 43 1.383 -4.657 9.145 1.00 42.42 C ATOM 642 CG2 ILE A 43 2.614 -2.482 9.637 1.00 40.12 C ATOM 643 CD1 ILE A 43 1.213 -5.856 8.231 1.00 1.23 C ATOM 0 H ILE A 43 1.603 -3.948 5.834 1.00 43.12 H new ATOM 0 HA ILE A 43 0.367 -2.279 7.952 1.00 55.12 H new ATOM 0 HB ILE A 43 2.990 -3.817 7.964 1.00 71.34 H new ATOM 0 HG12 ILE A 43 1.927 -4.974 10.035 1.00 42.42 H new ATOM 0 HG13 ILE A 43 0.397 -4.330 9.475 1.00 42.42 H new ATOM 0 HG21 ILE A 43 3.207 -3.046 10.357 1.00 40.12 H new ATOM 0 HG22 ILE A 43 3.224 -1.687 9.208 1.00 40.12 H new ATOM 0 HG23 ILE A 43 1.751 -2.046 10.141 1.00 40.12 H new ATOM 0 HD11 ILE A 43 0.685 -6.647 8.763 1.00 1.23 H new ATOM 0 HD12 ILE A 43 0.639 -5.565 7.352 1.00 1.23 H new ATOM 0 HD13 ILE A 43 2.193 -6.219 7.920 1.00 1.23 H new ATOM 655 N TYR A 44 1.770 -0.232 7.224 1.00 25.31 N ATOM 656 CA TYR A 44 2.549 0.941 6.786 1.00 54.34 C ATOM 657 C TYR A 44 3.900 0.974 7.521 1.00 4.50 C ATOM 658 O TYR A 44 3.936 0.882 8.754 1.00 35.12 O ATOM 659 CB TYR A 44 1.781 2.270 7.013 1.00 3.04 C ATOM 660 CG TYR A 44 2.514 3.499 6.443 1.00 23.20 C ATOM 661 CD1 TYR A 44 2.543 3.724 5.074 1.00 4.01 C ATOM 662 CD2 TYR A 44 3.180 4.410 7.264 1.00 53.22 C ATOM 663 CE1 TYR A 44 3.195 4.807 4.543 1.00 41.15 C ATOM 664 CE2 TYR A 44 3.830 5.494 6.734 1.00 64.15 C ATOM 665 CZ TYR A 44 3.834 5.689 5.373 1.00 14.32 C ATOM 666 OH TYR A 44 4.473 6.776 4.846 1.00 34.34 O ATOM 0 H TYR A 44 0.974 -0.006 7.820 1.00 25.31 H new ATOM 0 HA TYR A 44 2.718 0.845 5.713 1.00 54.34 H new ATOM 0 HB2 TYR A 44 0.796 2.196 6.552 1.00 3.04 H new ATOM 0 HB3 TYR A 44 1.623 2.413 8.082 1.00 3.04 H new ATOM 0 HD1 TYR A 44 2.042 3.032 4.413 1.00 4.01 H new ATOM 0 HD2 TYR A 44 3.183 4.259 8.333 1.00 53.22 H new ATOM 0 HE1 TYR A 44 3.205 4.964 3.474 1.00 41.15 H new ATOM 0 HE2 TYR A 44 4.337 6.192 7.383 1.00 64.15 H new ATOM 0 HH TYR A 44 5.316 6.923 5.323 1.00 34.34 H new ATOM 676 N LYS A 45 5.001 1.095 6.749 1.00 21.05 N ATOM 677 CA LYS A 45 6.378 1.123 7.288 1.00 34.31 C ATOM 678 C LYS A 45 7.027 2.485 7.079 1.00 61.12 C ATOM 679 O LYS A 45 7.620 3.039 8.015 1.00 73.41 O ATOM 680 CB LYS A 45 7.220 -0.013 6.642 1.00 64.24 C ATOM 681 CG LYS A 45 6.769 -1.461 7.006 1.00 45.11 C ATOM 682 CD LYS A 45 7.173 -1.895 8.448 1.00 71.41 C ATOM 683 CE LYS A 45 6.207 -1.435 9.565 1.00 2.42 C ATOM 684 NZ LYS A 45 6.836 -1.492 10.905 1.00 3.43 N ATOM 0 H LYS A 45 4.960 1.176 5.733 1.00 21.05 H new ATOM 0 HA LYS A 45 6.335 0.953 8.364 1.00 34.31 H new ATOM 0 HB2 LYS A 45 7.184 0.100 5.559 1.00 64.24 H new ATOM 0 HB3 LYS A 45 8.261 0.113 6.941 1.00 64.24 H new ATOM 0 HG2 LYS A 45 5.686 -1.532 6.904 1.00 45.11 H new ATOM 0 HG3 LYS A 45 7.203 -2.159 6.290 1.00 45.11 H new ATOM 0 HD2 LYS A 45 7.246 -2.982 8.477 1.00 71.41 H new ATOM 0 HD3 LYS A 45 8.167 -1.503 8.664 1.00 71.41 H new ATOM 0 HE2 LYS A 45 5.879 -0.416 9.362 1.00 2.42 H new ATOM 0 HE3 LYS A 45 5.317 -2.064 9.556 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 6.153 -1.175 11.623 1.00 3.43 H new ATOM 0 HZ2 LYS A 45 7.127 -2.469 11.111 1.00 3.43 H new ATOM 0 HZ3 LYS A 45 7.670 -0.872 10.923 1.00 3.43 H new ATOM 698 N GLY A 46 6.904 3.037 5.862 1.00 72.15 N ATOM 699 CA GLY A 46 7.554 4.310 5.562 1.00 51.01 C ATOM 700 C GLY A 46 7.215 4.866 4.198 1.00 44.23 C ATOM 701 O GLY A 46 6.364 4.330 3.481 1.00 61.12 O ATOM 0 H GLY A 46 6.374 2.630 5.091 1.00 72.15 H new ATOM 0 HA2 GLY A 46 7.270 5.039 6.321 1.00 51.01 H new ATOM 0 HA3 GLY A 46 8.634 4.180 5.632 1.00 51.01 H new ATOM 705 N PHE A 47 7.900 5.967 3.871 1.00 41.41 N ATOM 706 CA PHE A 47 7.759 6.698 2.607 1.00 64.42 C ATOM 707 C PHE A 47 9.075 7.454 2.397 1.00 34.44 C ATOM 708 O PHE A 47 9.385 8.383 3.140 1.00 3.34 O ATOM 709 CB PHE A 47 6.536 7.658 2.697 1.00 3.15 C ATOM 710 CG PHE A 47 6.267 8.574 1.498 1.00 13.51 C ATOM 711 CD1 PHE A 47 5.902 8.046 0.263 1.00 4.02 C ATOM 712 CD2 PHE A 47 6.352 9.965 1.621 1.00 2.12 C ATOM 713 CE1 PHE A 47 5.626 8.870 -0.810 1.00 71.34 C ATOM 714 CE2 PHE A 47 6.073 10.788 0.549 1.00 61.11 C ATOM 715 CZ PHE A 47 5.715 10.243 -0.668 1.00 52.11 C ATOM 0 H PHE A 47 8.588 6.386 4.497 1.00 41.41 H new ATOM 0 HA PHE A 47 7.575 6.036 1.760 1.00 64.42 H new ATOM 0 HB2 PHE A 47 5.645 7.053 2.865 1.00 3.15 H new ATOM 0 HB3 PHE A 47 6.665 8.286 3.578 1.00 3.15 H new ATOM 0 HD1 PHE A 47 5.834 6.975 0.142 1.00 4.02 H new ATOM 0 HD2 PHE A 47 6.640 10.400 2.567 1.00 2.12 H new ATOM 0 HE1 PHE A 47 5.341 8.443 -1.760 1.00 71.34 H new ATOM 0 HE2 PHE A 47 6.135 11.860 0.662 1.00 61.11 H new ATOM 0 HZ PHE A 47 5.505 10.888 -1.508 1.00 52.11 H new ATOM 725 N GLU A 48 9.868 7.020 1.407 1.00 0.35 N ATOM 726 CA GLU A 48 11.212 7.565 1.153 1.00 4.22 C ATOM 727 C GLU A 48 11.405 7.735 -0.350 1.00 61.53 C ATOM 728 O GLU A 48 11.245 6.761 -1.093 1.00 11.31 O ATOM 729 CB GLU A 48 12.316 6.625 1.716 1.00 71.44 C ATOM 730 CG GLU A 48 12.213 6.317 3.226 1.00 53.43 C ATOM 731 CD GLU A 48 13.398 5.512 3.792 1.00 41.20 C ATOM 732 OE1 GLU A 48 14.060 4.783 3.035 1.00 33.10 O ATOM 733 OE2 GLU A 48 13.677 5.622 5.004 1.00 3.13 O ATOM 0 H GLU A 48 9.597 6.281 0.759 1.00 0.35 H new ATOM 0 HA GLU A 48 11.297 8.528 1.656 1.00 4.22 H new ATOM 0 HB2 GLU A 48 12.284 5.684 1.167 1.00 71.44 H new ATOM 0 HB3 GLU A 48 13.289 7.076 1.519 1.00 71.44 H new ATOM 0 HG2 GLU A 48 12.134 7.257 3.772 1.00 53.43 H new ATOM 0 HG3 GLU A 48 11.292 5.763 3.410 1.00 53.43 H new ATOM 740 N ASP A 49 11.733 8.978 -0.777 1.00 34.12 N ATOM 741 CA ASP A 49 12.023 9.337 -2.187 1.00 44.12 C ATOM 742 C ASP A 49 10.805 9.064 -3.091 1.00 62.45 C ATOM 743 O ASP A 49 10.947 8.773 -4.281 1.00 15.53 O ATOM 744 CB ASP A 49 13.302 8.597 -2.697 1.00 14.30 C ATOM 745 CG ASP A 49 14.537 8.846 -1.805 1.00 54.31 C ATOM 746 OD1 ASP A 49 15.152 9.927 -1.920 1.00 1.00 O ATOM 747 OD2 ASP A 49 14.898 7.967 -0.988 1.00 2.34 O ATOM 0 H ASP A 49 11.805 9.773 -0.141 1.00 34.12 H new ATOM 0 HA ASP A 49 12.224 10.407 -2.232 1.00 44.12 H new ATOM 0 HB2 ASP A 49 13.102 7.526 -2.742 1.00 14.30 H new ATOM 0 HB3 ASP A 49 13.523 8.923 -3.713 1.00 14.30 H new ATOM 752 N GLY A 50 9.598 9.193 -2.506 1.00 75.41 N ATOM 753 CA GLY A 50 8.345 8.962 -3.225 1.00 24.12 C ATOM 754 C GLY A 50 7.902 7.501 -3.237 1.00 31.11 C ATOM 755 O GLY A 50 6.883 7.167 -3.847 1.00 54.43 O ATOM 0 H GLY A 50 9.472 9.458 -1.529 1.00 75.41 H new ATOM 0 HA2 GLY A 50 7.560 9.566 -2.771 1.00 24.12 H new ATOM 0 HA3 GLY A 50 8.458 9.306 -4.253 1.00 24.12 H new ATOM 759 N ILE A 51 8.655 6.628 -2.557 1.00 72.44 N ATOM 760 CA ILE A 51 8.370 5.182 -2.503 1.00 40.12 C ATOM 761 C ILE A 51 7.759 4.814 -1.136 1.00 13.23 C ATOM 762 O ILE A 51 8.406 4.960 -0.101 1.00 71.04 O ATOM 763 CB ILE A 51 9.673 4.336 -2.754 1.00 41.44 C ATOM 764 CG1 ILE A 51 10.334 4.698 -4.125 1.00 43.32 C ATOM 765 CG2 ILE A 51 9.376 2.826 -2.675 1.00 25.42 C ATOM 766 CD1 ILE A 51 9.492 4.406 -5.356 1.00 3.03 C ATOM 0 H ILE A 51 9.482 6.901 -2.026 1.00 72.44 H new ATOM 0 HA ILE A 51 7.656 4.949 -3.292 1.00 40.12 H new ATOM 0 HB ILE A 51 10.382 4.586 -1.965 1.00 41.44 H new ATOM 0 HG12 ILE A 51 10.582 5.759 -4.120 1.00 43.32 H new ATOM 0 HG13 ILE A 51 11.273 4.152 -4.211 1.00 43.32 H new ATOM 0 HG21 ILE A 51 10.294 2.265 -2.852 1.00 25.42 H new ATOM 0 HG22 ILE A 51 8.987 2.583 -1.686 1.00 25.42 H new ATOM 0 HG23 ILE A 51 8.637 2.561 -3.431 1.00 25.42 H new ATOM 0 HD11 ILE A 51 10.044 4.694 -6.251 1.00 3.03 H new ATOM 0 HD12 ILE A 51 9.265 3.341 -5.397 1.00 3.03 H new ATOM 0 HD13 ILE A 51 8.563 4.974 -5.304 1.00 3.03 H new ATOM 778 N VAL A 52 6.512 4.335 -1.162 1.00 4.01 N ATOM 779 CA VAL A 52 5.787 3.900 0.033 1.00 61.05 C ATOM 780 C VAL A 52 6.197 2.462 0.390 1.00 42.03 C ATOM 781 O VAL A 52 5.891 1.527 -0.343 1.00 33.15 O ATOM 782 CB VAL A 52 4.230 3.970 -0.185 1.00 41.21 C ATOM 783 CG1 VAL A 52 3.464 3.595 1.102 1.00 11.11 C ATOM 784 CG2 VAL A 52 3.788 5.362 -0.689 1.00 1.31 C ATOM 0 H VAL A 52 5.973 4.238 -2.022 1.00 4.01 H new ATOM 0 HA VAL A 52 6.045 4.572 0.851 1.00 61.05 H new ATOM 0 HB VAL A 52 3.983 3.239 -0.955 1.00 41.21 H new ATOM 0 HG11 VAL A 52 2.391 3.653 0.917 1.00 11.11 H new ATOM 0 HG12 VAL A 52 3.726 2.579 1.399 1.00 11.11 H new ATOM 0 HG13 VAL A 52 3.733 4.287 1.900 1.00 11.11 H new ATOM 0 HG21 VAL A 52 2.707 5.372 -0.828 1.00 1.31 H new ATOM 0 HG22 VAL A 52 4.067 6.120 0.043 1.00 1.31 H new ATOM 0 HG23 VAL A 52 4.278 5.578 -1.639 1.00 1.31 H new ATOM 794 N GLN A 53 6.895 2.296 1.511 1.00 63.52 N ATOM 795 CA GLN A 53 7.355 0.983 1.984 1.00 32.33 C ATOM 796 C GLN A 53 6.256 0.332 2.832 1.00 43.43 C ATOM 797 O GLN A 53 5.812 0.915 3.837 1.00 2.42 O ATOM 798 CB GLN A 53 8.663 1.156 2.794 1.00 23.22 C ATOM 799 CG GLN A 53 9.863 1.593 1.928 1.00 21.42 C ATOM 800 CD GLN A 53 11.094 2.019 2.725 1.00 43.25 C ATOM 801 OE1 GLN A 53 11.312 1.585 3.857 1.00 0.02 O ATOM 802 NE2 GLN A 53 11.928 2.840 2.110 1.00 44.54 N ATOM 0 H GLN A 53 7.161 3.068 2.122 1.00 63.52 H new ATOM 0 HA GLN A 53 7.563 0.330 1.136 1.00 32.33 H new ATOM 0 HB2 GLN A 53 8.501 1.895 3.578 1.00 23.22 H new ATOM 0 HB3 GLN A 53 8.904 0.215 3.288 1.00 23.22 H new ATOM 0 HG2 GLN A 53 10.139 0.770 1.269 1.00 21.42 H new ATOM 0 HG3 GLN A 53 9.553 2.421 1.291 1.00 21.42 H new ATOM 0 HE21 GLN A 53 11.712 3.178 1.172 1.00 44.54 H new ATOM 0 HE22 GLN A 53 12.787 3.135 2.573 1.00 44.54 H new ATOM 811 N LEU A 54 5.799 -0.858 2.400 1.00 13.54 N ATOM 812 CA LEU A 54 4.717 -1.598 3.069 1.00 61.15 C ATOM 813 C LEU A 54 5.155 -3.027 3.388 1.00 5.35 C ATOM 814 O LEU A 54 5.760 -3.700 2.551 1.00 64.03 O ATOM 815 CB LEU A 54 3.457 -1.646 2.171 1.00 5.44 C ATOM 816 CG LEU A 54 2.817 -0.275 1.810 1.00 34.22 C ATOM 817 CD1 LEU A 54 1.563 -0.465 0.956 1.00 44.31 C ATOM 818 CD2 LEU A 54 2.506 0.543 3.070 1.00 2.42 C ATOM 0 H LEU A 54 6.171 -1.332 1.577 1.00 13.54 H new ATOM 0 HA LEU A 54 4.483 -1.077 3.998 1.00 61.15 H new ATOM 0 HB2 LEU A 54 3.716 -2.157 1.244 1.00 5.44 H new ATOM 0 HB3 LEU A 54 2.703 -2.255 2.671 1.00 5.44 H new ATOM 0 HG LEU A 54 3.543 0.286 1.222 1.00 34.22 H new ATOM 0 HD11 LEU A 54 1.135 0.508 0.717 1.00 44.31 H new ATOM 0 HD12 LEU A 54 1.826 -0.982 0.033 1.00 44.31 H new ATOM 0 HD13 LEU A 54 0.833 -1.057 1.508 1.00 44.31 H new ATOM 0 HD21 LEU A 54 2.060 1.496 2.784 1.00 2.42 H new ATOM 0 HD22 LEU A 54 1.809 -0.010 3.700 1.00 2.42 H new ATOM 0 HD23 LEU A 54 3.428 0.725 3.622 1.00 2.42 H new ATOM 830 N LYS A 55 4.816 -3.469 4.598 1.00 52.44 N ATOM 831 CA LYS A 55 5.009 -4.845 5.032 1.00 53.15 C ATOM 832 C LYS A 55 3.778 -5.661 4.619 1.00 51.30 C ATOM 833 O LYS A 55 2.684 -5.460 5.156 1.00 32.54 O ATOM 834 CB LYS A 55 5.208 -4.891 6.569 1.00 44.53 C ATOM 835 CG LYS A 55 5.230 -6.307 7.172 1.00 65.22 C ATOM 836 CD LYS A 55 5.255 -6.290 8.715 1.00 41.24 C ATOM 837 CE LYS A 55 5.039 -7.690 9.301 1.00 65.22 C ATOM 838 NZ LYS A 55 5.134 -7.696 10.775 1.00 42.22 N ATOM 0 H LYS A 55 4.395 -2.872 5.310 1.00 52.44 H new ATOM 0 HA LYS A 55 5.898 -5.268 4.565 1.00 53.15 H new ATOM 0 HB2 LYS A 55 6.145 -4.391 6.816 1.00 44.53 H new ATOM 0 HB3 LYS A 55 4.408 -4.321 7.043 1.00 44.53 H new ATOM 0 HG2 LYS A 55 4.353 -6.857 6.832 1.00 65.22 H new ATOM 0 HG3 LYS A 55 6.105 -6.842 6.803 1.00 65.22 H new ATOM 0 HD2 LYS A 55 6.211 -5.895 9.059 1.00 41.24 H new ATOM 0 HD3 LYS A 55 4.481 -5.618 9.084 1.00 41.24 H new ATOM 0 HE2 LYS A 55 4.060 -8.061 9.000 1.00 65.22 H new ATOM 0 HE3 LYS A 55 5.780 -8.374 8.888 1.00 65.22 H new ATOM 0 HZ1 LYS A 55 4.982 -8.662 11.129 1.00 42.22 H new ATOM 0 HZ2 LYS A 55 6.077 -7.366 11.063 1.00 42.22 H new ATOM 0 HZ3 LYS A 55 4.410 -7.064 11.172 1.00 42.22 H new ATOM 852 N LEU A 56 3.963 -6.558 3.643 1.00 2.24 N ATOM 853 CA LEU A 56 2.878 -7.435 3.170 1.00 32.54 C ATOM 854 C LEU A 56 2.904 -8.735 3.990 1.00 52.43 C ATOM 855 O LEU A 56 3.977 -9.197 4.399 1.00 63.35 O ATOM 856 CB LEU A 56 3.037 -7.736 1.655 1.00 65.00 C ATOM 857 CG LEU A 56 3.258 -6.504 0.721 1.00 43.23 C ATOM 858 CD1 LEU A 56 3.358 -6.932 -0.753 1.00 3.23 C ATOM 859 CD2 LEU A 56 2.165 -5.438 0.913 1.00 64.43 C ATOM 0 H LEU A 56 4.852 -6.698 3.164 1.00 2.24 H new ATOM 0 HA LEU A 56 1.918 -6.937 3.306 1.00 32.54 H new ATOM 0 HB2 LEU A 56 3.880 -8.416 1.529 1.00 65.00 H new ATOM 0 HB3 LEU A 56 2.146 -8.266 1.317 1.00 65.00 H new ATOM 0 HG LEU A 56 4.208 -6.052 1.005 1.00 43.23 H new ATOM 0 HD11 LEU A 56 3.512 -6.052 -1.378 1.00 3.23 H new ATOM 0 HD12 LEU A 56 4.197 -7.616 -0.877 1.00 3.23 H new ATOM 0 HD13 LEU A 56 2.436 -7.431 -1.050 1.00 3.23 H new ATOM 0 HD21 LEU A 56 2.355 -4.598 0.245 1.00 64.43 H new ATOM 0 HD22 LEU A 56 1.191 -5.870 0.684 1.00 64.43 H new ATOM 0 HD23 LEU A 56 2.174 -5.090 1.946 1.00 64.43 H new ATOM 871 N GLN A 57 1.727 -9.311 4.233 1.00 62.43 N ATOM 872 CA GLN A 57 1.582 -10.577 4.992 1.00 42.34 C ATOM 873 C GLN A 57 1.506 -11.793 4.038 1.00 51.11 C ATOM 874 O GLN A 57 1.517 -11.626 2.819 1.00 53.24 O ATOM 875 CB GLN A 57 0.310 -10.498 5.882 1.00 20.13 C ATOM 876 CG GLN A 57 0.445 -9.596 7.125 1.00 42.12 C ATOM 877 CD GLN A 57 1.415 -10.151 8.172 1.00 45.12 C ATOM 878 OE1 GLN A 57 1.585 -11.364 8.304 1.00 0.14 O ATOM 879 NE2 GLN A 57 2.035 -9.275 8.944 1.00 22.43 N ATOM 0 H GLN A 57 0.840 -8.922 3.914 1.00 62.43 H new ATOM 0 HA GLN A 57 2.459 -10.712 5.625 1.00 42.34 H new ATOM 0 HB2 GLN A 57 -0.519 -10.134 5.275 1.00 20.13 H new ATOM 0 HB3 GLN A 57 0.049 -11.505 6.208 1.00 20.13 H new ATOM 0 HG2 GLN A 57 0.784 -8.608 6.814 1.00 42.12 H new ATOM 0 HG3 GLN A 57 -0.537 -9.468 7.581 1.00 42.12 H new ATOM 0 HE21 GLN A 57 1.875 -8.276 8.812 1.00 22.43 H new ATOM 0 HE22 GLN A 57 2.673 -9.598 9.671 1.00 22.43 H new ATOM 888 N GLY A 58 1.444 -13.016 4.617 1.00 12.13 N ATOM 889 CA GLY A 58 1.209 -14.238 3.835 1.00 33.44 C ATOM 890 C GLY A 58 -0.151 -14.222 3.137 1.00 23.13 C ATOM 891 O GLY A 58 -0.987 -13.368 3.455 1.00 14.24 O ATOM 0 H GLY A 58 1.554 -13.175 5.619 1.00 12.13 H new ATOM 0 HA2 GLY A 58 1.997 -14.348 3.090 1.00 33.44 H new ATOM 0 HA3 GLY A 58 1.268 -15.105 4.492 1.00 33.44 H new ATOM 895 N SER A 59 -0.344 -15.156 2.176 1.00 23.10 N ATOM 896 CA SER A 59 -1.533 -15.243 1.290 1.00 40.01 C ATOM 897 C SER A 59 -1.459 -14.167 0.187 1.00 53.03 C ATOM 898 O SER A 59 -1.486 -14.493 -0.998 1.00 41.02 O ATOM 899 CB SER A 59 -2.886 -15.174 2.071 1.00 61.35 C ATOM 900 OG SER A 59 -4.012 -15.387 1.227 1.00 1.10 O ATOM 0 H SER A 59 0.340 -15.890 1.989 1.00 23.10 H new ATOM 0 HA SER A 59 -1.512 -16.227 0.822 1.00 40.01 H new ATOM 0 HB2 SER A 59 -2.883 -15.922 2.864 1.00 61.35 H new ATOM 0 HB3 SER A 59 -2.975 -14.200 2.552 1.00 61.35 H new ATOM 0 HG SER A 59 -4.807 -14.982 1.633 1.00 1.10 H new ATOM 906 N CYS A 60 -1.327 -12.883 0.582 1.00 74.43 N ATOM 907 CA CYS A 60 -1.193 -11.764 -0.364 1.00 34.30 C ATOM 908 C CYS A 60 0.210 -11.701 -1.016 1.00 70.35 C ATOM 909 O CYS A 60 0.452 -10.891 -1.919 1.00 34.43 O ATOM 910 CB CYS A 60 -1.557 -10.446 0.340 1.00 60.31 C ATOM 911 SG CYS A 60 -0.535 -10.016 1.766 1.00 50.54 S ATOM 0 H CYS A 60 -1.311 -12.598 1.561 1.00 74.43 H new ATOM 0 HA CYS A 60 -1.891 -11.930 -1.184 1.00 34.30 H new ATOM 0 HB2 CYS A 60 -1.494 -9.637 -0.387 1.00 60.31 H new ATOM 0 HB3 CYS A 60 -2.596 -10.503 0.664 1.00 60.31 H new ATOM 0 HG CYS A 60 0.397 -10.910 1.917 1.00 50.54 H new ATOM 917 N THR A 61 1.128 -12.576 -0.566 1.00 4.10 N ATOM 918 CA THR A 61 2.478 -12.719 -1.145 1.00 42.22 C ATOM 919 C THR A 61 2.637 -14.051 -1.912 1.00 14.41 C ATOM 920 O THR A 61 3.753 -14.401 -2.325 1.00 11.24 O ATOM 921 CB THR A 61 3.545 -12.618 -0.017 1.00 70.01 C ATOM 922 OG1 THR A 61 3.169 -13.492 1.067 1.00 30.54 O ATOM 923 CG2 THR A 61 3.698 -11.177 0.510 1.00 44.13 C ATOM 0 H THR A 61 0.953 -13.208 0.215 1.00 4.10 H new ATOM 0 HA THR A 61 2.624 -11.911 -1.862 1.00 42.22 H new ATOM 0 HB THR A 61 4.506 -12.917 -0.435 1.00 70.01 H new ATOM 0 HG1 THR A 61 2.650 -12.988 1.728 1.00 30.54 H new ATOM 0 HG21 THR A 61 4.453 -11.155 1.296 1.00 44.13 H new ATOM 0 HG22 THR A 61 4.004 -10.522 -0.306 1.00 44.13 H new ATOM 0 HG23 THR A 61 2.745 -10.834 0.913 1.00 44.13 H new ATOM 931 N SER A 62 1.525 -14.787 -2.102 1.00 62.24 N ATOM 932 CA SER A 62 1.540 -16.086 -2.806 1.00 24.52 C ATOM 933 C SER A 62 1.820 -15.895 -4.315 1.00 24.41 C ATOM 934 O SER A 62 0.937 -15.436 -5.037 1.00 33.12 O ATOM 935 CB SER A 62 0.203 -16.829 -2.586 1.00 23.10 C ATOM 936 OG SER A 62 -0.042 -17.036 -1.206 1.00 4.15 O ATOM 0 H SER A 62 0.601 -14.503 -1.777 1.00 62.24 H new ATOM 0 HA SER A 62 2.346 -16.692 -2.392 1.00 24.52 H new ATOM 0 HB2 SER A 62 -0.613 -16.253 -3.021 1.00 23.10 H new ATOM 0 HB3 SER A 62 0.227 -17.788 -3.103 1.00 23.10 H new ATOM 0 HG SER A 62 -0.894 -17.506 -1.092 1.00 4.15 H new ATOM 942 N CYS A 63 3.075 -16.205 -4.736 1.00 41.44 N ATOM 943 CA CYS A 63 3.565 -16.083 -6.136 1.00 43.01 C ATOM 944 C CYS A 63 3.819 -14.596 -6.519 1.00 33.31 C ATOM 945 O CYS A 63 3.078 -13.703 -6.071 1.00 74.24 O ATOM 946 CB CYS A 63 2.607 -16.786 -7.149 1.00 71.05 C ATOM 947 SG CYS A 63 2.434 -18.565 -6.880 1.00 34.01 S ATOM 0 H CYS A 63 3.790 -16.554 -4.098 1.00 41.44 H new ATOM 0 HA CYS A 63 4.522 -16.602 -6.192 1.00 43.01 H new ATOM 0 HB2 CYS A 63 1.623 -16.322 -7.086 1.00 71.05 H new ATOM 0 HB3 CYS A 63 2.975 -16.616 -8.161 1.00 71.05 H new ATOM 0 HG CYS A 63 1.620 -19.061 -7.764 1.00 34.01 H new ATOM 953 N PRO A 64 4.865 -14.316 -7.381 1.00 72.15 N ATOM 954 CA PRO A 64 5.297 -12.929 -7.712 1.00 13.30 C ATOM 955 C PRO A 64 4.169 -12.085 -8.333 1.00 33.40 C ATOM 956 O PRO A 64 4.003 -10.931 -7.960 1.00 32.13 O ATOM 957 CB PRO A 64 6.481 -13.142 -8.703 1.00 42.22 C ATOM 958 CG PRO A 64 6.284 -14.523 -9.250 1.00 41.15 C ATOM 959 CD PRO A 64 5.697 -15.325 -8.107 1.00 31.12 C ATOM 0 HA PRO A 64 5.583 -12.365 -6.824 1.00 13.30 H new ATOM 0 HB2 PRO A 64 6.469 -12.397 -9.498 1.00 42.22 H new ATOM 0 HB3 PRO A 64 7.442 -13.051 -8.196 1.00 42.22 H new ATOM 0 HG2 PRO A 64 5.613 -14.514 -10.109 1.00 41.15 H new ATOM 0 HG3 PRO A 64 7.228 -14.951 -9.587 1.00 41.15 H new ATOM 0 HD2 PRO A 64 5.096 -16.160 -8.467 1.00 31.12 H new ATOM 0 HD3 PRO A 64 6.474 -15.744 -7.467 1.00 31.12 H new ATOM 967 N SER A 65 3.379 -12.699 -9.239 1.00 51.45 N ATOM 968 CA SER A 65 2.283 -12.024 -9.960 1.00 33.33 C ATOM 969 C SER A 65 1.277 -11.357 -8.996 1.00 23.15 C ATOM 970 O SER A 65 0.823 -10.235 -9.249 1.00 61.41 O ATOM 971 CB SER A 65 1.550 -13.036 -10.856 1.00 24.03 C ATOM 972 OG SER A 65 2.436 -13.712 -11.734 1.00 74.14 O ATOM 0 H SER A 65 3.485 -13.682 -9.491 1.00 51.45 H new ATOM 0 HA SER A 65 2.726 -11.237 -10.570 1.00 33.33 H new ATOM 0 HB2 SER A 65 1.033 -13.765 -10.231 1.00 24.03 H new ATOM 0 HB3 SER A 65 0.788 -12.518 -11.439 1.00 24.03 H new ATOM 0 HG SER A 65 1.931 -14.347 -12.284 1.00 74.14 H new ATOM 978 N SER A 66 0.966 -12.054 -7.882 1.00 22.31 N ATOM 979 CA SER A 66 0.041 -11.554 -6.863 1.00 62.20 C ATOM 980 C SER A 66 0.629 -10.340 -6.123 1.00 22.43 C ATOM 981 O SER A 66 -0.091 -9.378 -5.848 1.00 11.30 O ATOM 982 CB SER A 66 -0.282 -12.672 -5.867 1.00 12.02 C ATOM 983 OG SER A 66 -0.805 -13.820 -6.531 1.00 65.24 O ATOM 0 H SER A 66 1.352 -12.975 -7.672 1.00 22.31 H new ATOM 0 HA SER A 66 -0.875 -11.232 -7.359 1.00 62.20 H new ATOM 0 HB2 SER A 66 0.619 -12.945 -5.318 1.00 12.02 H new ATOM 0 HB3 SER A 66 -1.004 -12.312 -5.134 1.00 12.02 H new ATOM 0 HG SER A 66 -0.354 -14.624 -6.198 1.00 65.24 H new ATOM 989 N ILE A 67 1.942 -10.396 -5.819 1.00 54.51 N ATOM 990 CA ILE A 67 2.656 -9.299 -5.144 1.00 62.41 C ATOM 991 C ILE A 67 2.677 -8.045 -6.042 1.00 2.32 C ATOM 992 O ILE A 67 2.476 -6.932 -5.564 1.00 22.30 O ATOM 993 CB ILE A 67 4.130 -9.719 -4.779 1.00 31.20 C ATOM 994 CG1 ILE A 67 4.157 -11.076 -4.006 1.00 64.30 C ATOM 995 CG2 ILE A 67 4.827 -8.611 -3.961 1.00 1.43 C ATOM 996 CD1 ILE A 67 5.551 -11.614 -3.686 1.00 3.12 C ATOM 0 H ILE A 67 2.532 -11.200 -6.034 1.00 54.51 H new ATOM 0 HA ILE A 67 2.125 -9.072 -4.219 1.00 62.41 H new ATOM 0 HB ILE A 67 4.678 -9.855 -5.711 1.00 31.20 H new ATOM 0 HG12 ILE A 67 3.608 -10.955 -3.072 1.00 64.30 H new ATOM 0 HG13 ILE A 67 3.623 -11.822 -4.595 1.00 64.30 H new ATOM 0 HG21 ILE A 67 5.844 -8.922 -3.720 1.00 1.43 H new ATOM 0 HG22 ILE A 67 4.858 -7.692 -4.546 1.00 1.43 H new ATOM 0 HG23 ILE A 67 4.273 -8.436 -3.039 1.00 1.43 H new ATOM 0 HD11 ILE A 67 5.462 -12.558 -3.149 1.00 3.12 H new ATOM 0 HD12 ILE A 67 6.101 -11.774 -4.613 1.00 3.12 H new ATOM 0 HD13 ILE A 67 6.086 -10.894 -3.067 1.00 3.12 H new ATOM 1008 N ILE A 68 2.907 -8.261 -7.352 1.00 35.22 N ATOM 1009 CA ILE A 68 2.950 -7.193 -8.365 1.00 41.43 C ATOM 1010 C ILE A 68 1.576 -6.505 -8.463 1.00 63.45 C ATOM 1011 O ILE A 68 1.492 -5.287 -8.367 1.00 43.40 O ATOM 1012 CB ILE A 68 3.373 -7.755 -9.782 1.00 34.15 C ATOM 1013 CG1 ILE A 68 4.781 -8.428 -9.724 1.00 54.40 C ATOM 1014 CG2 ILE A 68 3.353 -6.642 -10.861 1.00 51.11 C ATOM 1015 CD1 ILE A 68 5.187 -9.201 -10.979 1.00 4.11 C ATOM 0 H ILE A 68 3.069 -9.191 -7.738 1.00 35.22 H new ATOM 0 HA ILE A 68 3.700 -6.466 -8.054 1.00 41.43 H new ATOM 0 HB ILE A 68 2.640 -8.512 -10.061 1.00 34.15 H new ATOM 0 HG12 ILE A 68 5.527 -7.656 -9.535 1.00 54.40 H new ATOM 0 HG13 ILE A 68 4.805 -9.109 -8.874 1.00 54.40 H new ATOM 0 HG21 ILE A 68 3.649 -7.062 -11.822 1.00 51.11 H new ATOM 0 HG22 ILE A 68 2.347 -6.229 -10.939 1.00 51.11 H new ATOM 0 HG23 ILE A 68 4.049 -5.851 -10.581 1.00 51.11 H new ATOM 0 HD11 ILE A 68 6.179 -9.629 -10.837 1.00 4.11 H new ATOM 0 HD12 ILE A 68 4.469 -10.001 -11.162 1.00 4.11 H new ATOM 0 HD13 ILE A 68 5.202 -8.525 -11.834 1.00 4.11 H new ATOM 1027 N THR A 69 0.507 -7.322 -8.601 1.00 14.04 N ATOM 1028 CA THR A 69 -0.882 -6.834 -8.737 1.00 13.24 C ATOM 1029 C THR A 69 -1.328 -6.063 -7.482 1.00 61.44 C ATOM 1030 O THR A 69 -1.986 -5.021 -7.591 1.00 11.24 O ATOM 1031 CB THR A 69 -1.880 -8.013 -9.019 1.00 62.13 C ATOM 1032 OG1 THR A 69 -1.471 -8.729 -10.191 1.00 14.04 O ATOM 1033 CG2 THR A 69 -3.330 -7.532 -9.224 1.00 43.24 C ATOM 0 H THR A 69 0.585 -8.339 -8.621 1.00 14.04 H new ATOM 0 HA THR A 69 -0.898 -6.155 -9.589 1.00 13.24 H new ATOM 0 HB THR A 69 -1.858 -8.656 -8.139 1.00 62.13 H new ATOM 0 HG1 THR A 69 -0.697 -9.291 -9.978 1.00 14.04 H new ATOM 0 HG21 THR A 69 -3.974 -8.390 -9.415 1.00 43.24 H new ATOM 0 HG22 THR A 69 -3.672 -7.014 -8.328 1.00 43.24 H new ATOM 0 HG23 THR A 69 -3.371 -6.851 -10.074 1.00 43.24 H new ATOM 1041 N LEU A 70 -0.939 -6.578 -6.296 1.00 4.44 N ATOM 1042 CA LEU A 70 -1.287 -5.965 -5.010 1.00 12.33 C ATOM 1043 C LEU A 70 -0.599 -4.608 -4.876 1.00 30.13 C ATOM 1044 O LEU A 70 -1.271 -3.589 -4.748 1.00 30.25 O ATOM 1045 CB LEU A 70 -0.884 -6.874 -3.820 1.00 51.55 C ATOM 1046 CG LEU A 70 -1.212 -6.310 -2.394 1.00 65.04 C ATOM 1047 CD1 LEU A 70 -2.724 -6.094 -2.204 1.00 44.20 C ATOM 1048 CD2 LEU A 70 -0.637 -7.215 -1.293 1.00 62.40 C ATOM 0 H LEU A 70 -0.378 -7.426 -6.210 1.00 4.44 H new ATOM 0 HA LEU A 70 -2.369 -5.833 -4.985 1.00 12.33 H new ATOM 0 HB2 LEU A 70 -1.385 -7.835 -3.935 1.00 51.55 H new ATOM 0 HB3 LEU A 70 0.188 -7.064 -3.878 1.00 51.55 H new ATOM 0 HG LEU A 70 -0.731 -5.336 -2.310 1.00 65.04 H new ATOM 0 HD11 LEU A 70 -2.913 -5.703 -1.204 1.00 44.20 H new ATOM 0 HD12 LEU A 70 -3.086 -5.383 -2.947 1.00 44.20 H new ATOM 0 HD13 LEU A 70 -3.245 -7.043 -2.326 1.00 44.20 H new ATOM 0 HD21 LEU A 70 -0.880 -6.798 -0.316 1.00 62.40 H new ATOM 0 HD22 LEU A 70 -1.068 -8.212 -1.380 1.00 62.40 H new ATOM 0 HD23 LEU A 70 0.446 -7.277 -1.402 1.00 62.40 H new ATOM 1060 N LYS A 71 0.747 -4.629 -4.953 1.00 24.51 N ATOM 1061 CA LYS A 71 1.612 -3.447 -4.804 1.00 45.12 C ATOM 1062 C LYS A 71 1.236 -2.343 -5.806 1.00 41.33 C ATOM 1063 O LYS A 71 1.246 -1.171 -5.451 1.00 54.31 O ATOM 1064 CB LYS A 71 3.110 -3.888 -4.934 1.00 24.21 C ATOM 1065 CG LYS A 71 4.175 -2.758 -5.040 1.00 31.21 C ATOM 1066 CD LYS A 71 4.472 -2.317 -6.495 1.00 2.35 C ATOM 1067 CE LYS A 71 5.090 -3.432 -7.350 1.00 21.23 C ATOM 1068 NZ LYS A 71 6.471 -3.763 -6.899 1.00 34.43 N ATOM 0 H LYS A 71 1.271 -5.487 -5.124 1.00 24.51 H new ATOM 0 HA LYS A 71 1.465 -3.013 -3.815 1.00 45.12 H new ATOM 0 HB2 LYS A 71 3.357 -4.506 -4.071 1.00 24.21 H new ATOM 0 HB3 LYS A 71 3.201 -4.522 -5.816 1.00 24.21 H new ATOM 0 HG2 LYS A 71 3.833 -1.894 -4.470 1.00 31.21 H new ATOM 0 HG3 LYS A 71 5.101 -3.099 -4.577 1.00 31.21 H new ATOM 0 HD2 LYS A 71 3.546 -1.980 -6.962 1.00 2.35 H new ATOM 0 HD3 LYS A 71 5.149 -1.463 -6.478 1.00 2.35 H new ATOM 0 HE2 LYS A 71 4.465 -4.323 -7.295 1.00 21.23 H new ATOM 0 HE3 LYS A 71 5.112 -3.122 -8.395 1.00 21.23 H new ATOM 0 HZ1 LYS A 71 6.878 -4.483 -7.529 1.00 34.43 H new ATOM 0 HZ2 LYS A 71 7.060 -2.906 -6.926 1.00 34.43 H new ATOM 0 HZ3 LYS A 71 6.440 -4.131 -5.927 1.00 34.43 H new ATOM 1082 N ASN A 72 0.917 -2.739 -7.051 1.00 61.12 N ATOM 1083 CA ASN A 72 0.523 -1.801 -8.129 1.00 42.32 C ATOM 1084 C ASN A 72 -0.891 -1.256 -7.917 1.00 34.22 C ATOM 1085 O ASN A 72 -1.149 -0.101 -8.236 1.00 41.25 O ATOM 1086 CB ASN A 72 0.663 -2.459 -9.532 1.00 11.30 C ATOM 1087 CG ASN A 72 2.113 -2.575 -10.012 1.00 33.52 C ATOM 1088 OD1 ASN A 72 2.989 -1.805 -9.608 1.00 53.51 O ATOM 1089 ND2 ASN A 72 2.362 -3.521 -10.899 1.00 42.11 N ATOM 0 H ASN A 72 0.924 -3.716 -7.343 1.00 61.12 H new ATOM 0 HA ASN A 72 1.210 -0.956 -8.086 1.00 42.32 H new ATOM 0 HB2 ASN A 72 0.218 -3.453 -9.504 1.00 11.30 H new ATOM 0 HB3 ASN A 72 0.095 -1.875 -10.256 1.00 11.30 H new ATOM 0 HD21 ASN A 72 3.304 -3.634 -11.274 1.00 42.11 H new ATOM 0 HD22 ASN A 72 1.612 -4.139 -11.210 1.00 42.11 H new ATOM 1096 N GLY A 73 -1.788 -2.085 -7.365 1.00 20.12 N ATOM 1097 CA GLY A 73 -3.134 -1.638 -7.004 1.00 73.14 C ATOM 1098 C GLY A 73 -3.086 -0.557 -5.927 1.00 15.14 C ATOM 1099 O GLY A 73 -3.721 0.501 -6.049 1.00 44.44 O ATOM 0 H GLY A 73 -1.603 -3.067 -7.160 1.00 20.12 H new ATOM 0 HA2 GLY A 73 -3.641 -1.252 -7.888 1.00 73.14 H new ATOM 0 HA3 GLY A 73 -3.718 -2.486 -6.646 1.00 73.14 H new ATOM 1103 N ILE A 74 -2.260 -0.817 -4.901 1.00 21.22 N ATOM 1104 CA ILE A 74 -2.006 0.117 -3.802 1.00 31.45 C ATOM 1105 C ILE A 74 -1.330 1.384 -4.339 1.00 12.22 C ATOM 1106 O ILE A 74 -1.693 2.491 -3.957 1.00 33.03 O ATOM 1107 CB ILE A 74 -1.079 -0.523 -2.700 1.00 61.44 C ATOM 1108 CG1 ILE A 74 -1.685 -1.850 -2.148 1.00 30.52 C ATOM 1109 CG2 ILE A 74 -0.810 0.481 -1.555 1.00 45.23 C ATOM 1110 CD1 ILE A 74 -0.767 -2.617 -1.195 1.00 55.20 C ATOM 0 H ILE A 74 -1.746 -1.693 -4.814 1.00 21.22 H new ATOM 0 HA ILE A 74 -2.968 0.361 -3.351 1.00 31.45 H new ATOM 0 HB ILE A 74 -0.126 -0.766 -3.169 1.00 61.44 H new ATOM 0 HG12 ILE A 74 -2.617 -1.622 -1.630 1.00 30.52 H new ATOM 0 HG13 ILE A 74 -1.938 -2.497 -2.988 1.00 30.52 H new ATOM 0 HG21 ILE A 74 -0.168 0.016 -0.807 1.00 45.23 H new ATOM 0 HG22 ILE A 74 -0.317 1.367 -1.956 1.00 45.23 H new ATOM 0 HG23 ILE A 74 -1.755 0.769 -1.094 1.00 45.23 H new ATOM 0 HD11 ILE A 74 -1.268 -3.525 -0.860 1.00 55.20 H new ATOM 0 HD12 ILE A 74 0.156 -2.881 -1.712 1.00 55.20 H new ATOM 0 HD13 ILE A 74 -0.534 -1.992 -0.333 1.00 55.20 H new ATOM 1122 N GLN A 75 -0.346 1.176 -5.234 1.00 4.43 N ATOM 1123 CA GLN A 75 0.467 2.245 -5.826 1.00 31.20 C ATOM 1124 C GLN A 75 -0.416 3.245 -6.557 1.00 65.23 C ATOM 1125 O GLN A 75 -0.444 4.411 -6.199 1.00 40.01 O ATOM 1126 CB GLN A 75 1.514 1.646 -6.793 1.00 34.22 C ATOM 1127 CG GLN A 75 2.502 2.663 -7.389 1.00 11.25 C ATOM 1128 CD GLN A 75 3.550 2.056 -8.332 1.00 24.33 C ATOM 1129 OE1 GLN A 75 3.992 2.709 -9.268 1.00 13.32 O ATOM 1130 NE2 GLN A 75 3.981 0.830 -8.073 1.00 40.12 N ATOM 0 H GLN A 75 -0.093 0.246 -5.568 1.00 4.43 H new ATOM 0 HA GLN A 75 0.989 2.768 -5.024 1.00 31.20 H new ATOM 0 HB2 GLN A 75 2.080 0.879 -6.263 1.00 34.22 H new ATOM 0 HB3 GLN A 75 0.990 1.149 -7.609 1.00 34.22 H new ATOM 0 HG2 GLN A 75 1.939 3.422 -7.933 1.00 11.25 H new ATOM 0 HG3 GLN A 75 3.017 3.171 -6.574 1.00 11.25 H new ATOM 0 HE21 GLN A 75 3.594 0.309 -7.286 1.00 40.12 H new ATOM 0 HE22 GLN A 75 4.699 0.407 -8.661 1.00 40.12 H new ATOM 1139 N ASN A 76 -1.186 2.746 -7.537 1.00 30.24 N ATOM 1140 CA ASN A 76 -2.053 3.573 -8.387 1.00 52.41 C ATOM 1141 C ASN A 76 -3.166 4.253 -7.569 1.00 75.33 C ATOM 1142 O ASN A 76 -3.602 5.349 -7.918 1.00 55.32 O ATOM 1143 CB ASN A 76 -2.655 2.729 -9.535 1.00 63.12 C ATOM 1144 CG ASN A 76 -1.601 2.082 -10.434 1.00 52.12 C ATOM 1145 OD1 ASN A 76 -0.486 2.585 -10.590 1.00 60.14 O ATOM 1146 ND2 ASN A 76 -1.950 0.957 -11.027 1.00 32.24 N ATOM 0 H ASN A 76 -1.224 1.752 -7.762 1.00 30.24 H new ATOM 0 HA ASN A 76 -1.437 4.360 -8.821 1.00 52.41 H new ATOM 0 HB2 ASN A 76 -3.286 1.949 -9.109 1.00 63.12 H new ATOM 0 HB3 ASN A 76 -3.299 3.364 -10.143 1.00 63.12 H new ATOM 0 HD21 ASN A 76 -1.289 0.475 -11.637 1.00 32.24 H new ATOM 0 HD22 ASN A 76 -2.881 0.568 -10.876 1.00 32.24 H new ATOM 1153 N MET A 77 -3.613 3.594 -6.474 1.00 73.14 N ATOM 1154 CA MET A 77 -4.590 4.186 -5.537 1.00 24.22 C ATOM 1155 C MET A 77 -3.949 5.389 -4.792 1.00 30.05 C ATOM 1156 O MET A 77 -4.537 6.464 -4.726 1.00 44.21 O ATOM 1157 CB MET A 77 -5.113 3.099 -4.556 1.00 24.21 C ATOM 1158 CG MET A 77 -6.304 3.528 -3.666 1.00 63.22 C ATOM 1159 SD MET A 77 -5.846 4.643 -2.320 1.00 32.11 S ATOM 1160 CE MET A 77 -4.761 3.600 -1.352 1.00 72.21 C ATOM 0 H MET A 77 -3.311 2.653 -6.220 1.00 73.14 H new ATOM 0 HA MET A 77 -5.449 4.565 -6.092 1.00 24.22 H new ATOM 0 HB2 MET A 77 -5.410 2.224 -5.134 1.00 24.21 H new ATOM 0 HB3 MET A 77 -4.291 2.790 -3.910 1.00 24.21 H new ATOM 0 HG2 MET A 77 -7.054 4.015 -4.289 1.00 63.22 H new ATOM 0 HG3 MET A 77 -6.770 2.637 -3.245 1.00 63.22 H new ATOM 0 HE1 MET A 77 -4.317 4.185 -0.547 1.00 72.21 H new ATOM 0 HE2 MET A 77 -5.333 2.775 -0.928 1.00 72.21 H new ATOM 0 HE3 MET A 77 -3.972 3.204 -1.991 1.00 72.21 H new ATOM 1170 N LEU A 78 -2.716 5.204 -4.285 1.00 62.11 N ATOM 1171 CA LEU A 78 -1.952 6.259 -3.583 1.00 23.03 C ATOM 1172 C LEU A 78 -1.513 7.379 -4.545 1.00 4.24 C ATOM 1173 O LEU A 78 -1.313 8.507 -4.119 1.00 23.31 O ATOM 1174 CB LEU A 78 -0.716 5.643 -2.873 1.00 43.42 C ATOM 1175 CG LEU A 78 -1.016 4.713 -1.657 1.00 72.44 C ATOM 1176 CD1 LEU A 78 0.269 4.070 -1.116 1.00 64.12 C ATOM 1177 CD2 LEU A 78 -1.752 5.480 -0.545 1.00 60.11 C ATOM 0 H LEU A 78 -2.218 4.316 -4.350 1.00 62.11 H new ATOM 0 HA LEU A 78 -2.609 6.704 -2.836 1.00 23.03 H new ATOM 0 HB2 LEU A 78 -0.146 5.074 -3.608 1.00 43.42 H new ATOM 0 HB3 LEU A 78 -0.075 6.456 -2.533 1.00 43.42 H new ATOM 0 HG LEU A 78 -1.668 3.913 -2.007 1.00 72.44 H new ATOM 0 HD11 LEU A 78 0.026 3.428 -0.269 1.00 64.12 H new ATOM 0 HD12 LEU A 78 0.736 3.475 -1.901 1.00 64.12 H new ATOM 0 HD13 LEU A 78 0.958 4.850 -0.794 1.00 64.12 H new ATOM 0 HD21 LEU A 78 -1.949 4.809 0.291 1.00 60.11 H new ATOM 0 HD22 LEU A 78 -1.133 6.311 -0.205 1.00 60.11 H new ATOM 0 HD23 LEU A 78 -2.696 5.865 -0.932 1.00 60.11 H new ATOM 1189 N GLN A 79 -1.352 7.042 -5.843 1.00 64.34 N ATOM 1190 CA GLN A 79 -0.991 8.011 -6.903 1.00 34.22 C ATOM 1191 C GLN A 79 -2.231 8.790 -7.363 1.00 55.02 C ATOM 1192 O GLN A 79 -2.112 9.916 -7.854 1.00 35.13 O ATOM 1193 CB GLN A 79 -0.325 7.296 -8.108 1.00 22.40 C ATOM 1194 CG GLN A 79 1.027 6.649 -7.776 1.00 4.23 C ATOM 1195 CD GLN A 79 1.683 5.907 -8.944 1.00 70.43 C ATOM 1196 OE1 GLN A 79 1.007 5.389 -9.832 1.00 71.41 O ATOM 1197 NE2 GLN A 79 3.009 5.844 -8.938 1.00 62.11 N ATOM 0 H GLN A 79 -1.469 6.089 -6.187 1.00 64.34 H new ATOM 0 HA GLN A 79 -0.271 8.714 -6.486 1.00 34.22 H new ATOM 0 HB2 GLN A 79 -1.002 6.528 -8.482 1.00 22.40 H new ATOM 0 HB3 GLN A 79 -0.184 8.017 -8.913 1.00 22.40 H new ATOM 0 HG2 GLN A 79 1.709 7.424 -7.426 1.00 4.23 H new ATOM 0 HG3 GLN A 79 0.888 5.950 -6.951 1.00 4.23 H new ATOM 0 HE21 GLN A 79 3.537 6.285 -8.185 1.00 62.11 H new ATOM 0 HE22 GLN A 79 3.500 5.354 -9.686 1.00 62.11 H new ATOM 1206 N PHE A 80 -3.414 8.160 -7.203 1.00 72.53 N ATOM 1207 CA PHE A 80 -4.722 8.764 -7.513 1.00 24.01 C ATOM 1208 C PHE A 80 -5.021 9.927 -6.548 1.00 70.33 C ATOM 1209 O PHE A 80 -5.674 10.900 -6.927 1.00 40.02 O ATOM 1210 CB PHE A 80 -5.833 7.673 -7.438 1.00 23.33 C ATOM 1211 CG PHE A 80 -7.272 8.173 -7.646 1.00 64.41 C ATOM 1212 CD1 PHE A 80 -7.735 8.508 -8.918 1.00 54.01 C ATOM 1213 CD2 PHE A 80 -8.155 8.306 -6.563 1.00 3.34 C ATOM 1214 CE1 PHE A 80 -9.027 8.962 -9.102 1.00 64.33 C ATOM 1215 CE2 PHE A 80 -9.442 8.759 -6.751 1.00 74.11 C ATOM 1216 CZ PHE A 80 -9.880 9.084 -8.020 1.00 13.32 C ATOM 0 H PHE A 80 -3.486 7.206 -6.850 1.00 72.53 H new ATOM 0 HA PHE A 80 -4.700 9.170 -8.525 1.00 24.01 H new ATOM 0 HB2 PHE A 80 -5.620 6.912 -8.188 1.00 23.33 H new ATOM 0 HB3 PHE A 80 -5.774 7.186 -6.464 1.00 23.33 H new ATOM 0 HD1 PHE A 80 -7.077 8.412 -9.769 1.00 54.01 H new ATOM 0 HD2 PHE A 80 -7.821 8.050 -5.569 1.00 3.34 H new ATOM 0 HE1 PHE A 80 -9.371 9.222 -10.092 1.00 64.33 H new ATOM 0 HE2 PHE A 80 -10.108 8.860 -5.907 1.00 74.11 H new ATOM 0 HZ PHE A 80 -10.891 9.434 -8.168 1.00 13.32 H new ATOM 1226 N TYR A 81 -4.560 9.798 -5.291 1.00 1.42 N ATOM 1227 CA TYR A 81 -4.721 10.838 -4.263 1.00 65.34 C ATOM 1228 C TYR A 81 -3.480 11.746 -4.186 1.00 73.20 C ATOM 1229 O TYR A 81 -3.610 12.964 -4.041 1.00 44.13 O ATOM 1230 CB TYR A 81 -5.016 10.184 -2.886 1.00 21.45 C ATOM 1231 CG TYR A 81 -6.376 9.455 -2.818 1.00 22.12 C ATOM 1232 CD1 TYR A 81 -7.552 10.162 -2.562 1.00 23.32 C ATOM 1233 CD2 TYR A 81 -6.479 8.079 -3.023 1.00 12.51 C ATOM 1234 CE1 TYR A 81 -8.771 9.522 -2.499 1.00 63.33 C ATOM 1235 CE2 TYR A 81 -7.696 7.432 -2.961 1.00 63.31 C ATOM 1236 CZ TYR A 81 -8.844 8.161 -2.709 1.00 44.03 C ATOM 1237 OH TYR A 81 -10.062 7.521 -2.652 1.00 53.11 O ATOM 0 H TYR A 81 -4.066 8.969 -4.961 1.00 1.42 H new ATOM 0 HA TYR A 81 -5.567 11.466 -4.541 1.00 65.34 H new ATOM 0 HB2 TYR A 81 -4.222 9.474 -2.655 1.00 21.45 H new ATOM 0 HB3 TYR A 81 -4.989 10.955 -2.116 1.00 21.45 H new ATOM 0 HD1 TYR A 81 -7.506 11.230 -2.410 1.00 23.32 H new ATOM 0 HD2 TYR A 81 -5.587 7.508 -3.235 1.00 12.51 H new ATOM 0 HE1 TYR A 81 -9.667 10.085 -2.286 1.00 63.33 H new ATOM 0 HE2 TYR A 81 -7.752 6.364 -3.108 1.00 63.31 H new ATOM 0 HH TYR A 81 -10.770 8.139 -2.930 1.00 53.11 H new ATOM 1247 N ILE A 82 -2.280 11.152 -4.300 1.00 41.14 N ATOM 1248 CA ILE A 82 -0.997 11.850 -4.042 1.00 33.11 C ATOM 1249 C ILE A 82 -0.044 11.688 -5.248 1.00 12.53 C ATOM 1250 O ILE A 82 0.394 10.570 -5.536 1.00 5.23 O ATOM 1251 CB ILE A 82 -0.294 11.277 -2.753 1.00 1.32 C ATOM 1252 CG1 ILE A 82 -1.281 11.213 -1.547 1.00 22.54 C ATOM 1253 CG2 ILE A 82 0.962 12.103 -2.396 1.00 74.04 C ATOM 1254 CD1 ILE A 82 -0.716 10.516 -0.333 1.00 41.22 C ATOM 0 H ILE A 82 -2.166 10.176 -4.573 1.00 41.14 H new ATOM 0 HA ILE A 82 -1.219 12.906 -3.889 1.00 33.11 H new ATOM 0 HB ILE A 82 0.022 10.258 -2.975 1.00 1.32 H new ATOM 0 HG12 ILE A 82 -1.569 12.227 -1.271 1.00 22.54 H new ATOM 0 HG13 ILE A 82 -2.189 10.698 -1.860 1.00 22.54 H new ATOM 0 HG21 ILE A 82 1.429 11.688 -1.503 1.00 74.04 H new ATOM 0 HG22 ILE A 82 1.669 12.067 -3.225 1.00 74.04 H new ATOM 0 HG23 ILE A 82 0.676 13.138 -2.208 1.00 74.04 H new ATOM 0 HD11 ILE A 82 -1.460 10.511 0.463 1.00 41.22 H new ATOM 0 HD12 ILE A 82 -0.455 9.490 -0.591 1.00 41.22 H new ATOM 0 HD13 ILE A 82 0.176 11.043 0.007 1.00 41.22 H new ATOM 1266 N PRO A 83 0.315 12.803 -5.966 1.00 0.25 N ATOM 1267 CA PRO A 83 1.272 12.754 -7.105 1.00 51.30 C ATOM 1268 C PRO A 83 2.741 12.589 -6.642 1.00 32.11 C ATOM 1269 O PRO A 83 3.633 12.372 -7.465 1.00 44.23 O ATOM 1270 CB PRO A 83 1.031 14.114 -7.810 1.00 3.42 C ATOM 1271 CG PRO A 83 0.604 15.042 -6.705 1.00 72.10 C ATOM 1272 CD PRO A 83 -0.200 14.189 -5.740 1.00 14.24 C ATOM 0 HA PRO A 83 1.112 11.895 -7.757 1.00 51.30 H new ATOM 0 HB2 PRO A 83 1.936 14.472 -8.301 1.00 3.42 H new ATOM 0 HB3 PRO A 83 0.262 14.032 -8.578 1.00 3.42 H new ATOM 0 HG2 PRO A 83 1.468 15.485 -6.210 1.00 72.10 H new ATOM 0 HG3 PRO A 83 0.004 15.864 -7.094 1.00 72.10 H new ATOM 0 HD2 PRO A 83 -0.052 14.506 -4.708 1.00 14.24 H new ATOM 0 HD3 PRO A 83 -1.269 14.256 -5.944 1.00 14.24 H new ATOM 1280 N GLU A 84 2.970 12.697 -5.318 1.00 25.54 N ATOM 1281 CA GLU A 84 4.308 12.549 -4.718 1.00 51.41 C ATOM 1282 C GLU A 84 4.725 11.066 -4.636 1.00 24.22 C ATOM 1283 O GLU A 84 5.925 10.761 -4.610 1.00 53.11 O ATOM 1284 CB GLU A 84 4.355 13.205 -3.310 1.00 33.53 C ATOM 1285 CG GLU A 84 3.809 14.653 -3.262 1.00 23.11 C ATOM 1286 CD GLU A 84 4.494 15.605 -4.264 1.00 12.41 C ATOM 1287 OE1 GLU A 84 5.634 16.040 -4.005 1.00 71.55 O ATOM 1288 OE2 GLU A 84 3.892 15.918 -5.316 1.00 64.35 O ATOM 0 H GLU A 84 2.234 12.889 -4.638 1.00 25.54 H new ATOM 0 HA GLU A 84 5.019 13.063 -5.365 1.00 51.41 H new ATOM 0 HB2 GLU A 84 3.782 12.590 -2.616 1.00 33.53 H new ATOM 0 HB3 GLU A 84 5.386 13.206 -2.957 1.00 33.53 H new ATOM 0 HG2 GLU A 84 2.738 14.635 -3.464 1.00 23.11 H new ATOM 0 HG3 GLU A 84 3.936 15.047 -2.254 1.00 23.11 H new ATOM 1295 N VAL A 85 3.731 10.157 -4.591 1.00 72.34 N ATOM 1296 CA VAL A 85 3.974 8.710 -4.600 1.00 33.01 C ATOM 1297 C VAL A 85 4.441 8.273 -6.006 1.00 74.04 C ATOM 1298 O VAL A 85 3.633 8.125 -6.918 1.00 10.31 O ATOM 1299 CB VAL A 85 2.686 7.905 -4.176 1.00 25.33 C ATOM 1300 CG1 VAL A 85 2.917 6.374 -4.242 1.00 23.34 C ATOM 1301 CG2 VAL A 85 2.209 8.314 -2.758 1.00 20.40 C ATOM 0 H VAL A 85 2.743 10.409 -4.548 1.00 72.34 H new ATOM 0 HA VAL A 85 4.754 8.489 -3.871 1.00 33.01 H new ATOM 0 HB VAL A 85 1.904 8.159 -4.892 1.00 25.33 H new ATOM 0 HG11 VAL A 85 2.006 5.855 -3.942 1.00 23.34 H new ATOM 0 HG12 VAL A 85 3.178 6.089 -5.261 1.00 23.34 H new ATOM 0 HG13 VAL A 85 3.729 6.099 -3.569 1.00 23.34 H new ATOM 0 HG21 VAL A 85 1.320 7.742 -2.494 1.00 20.40 H new ATOM 0 HG22 VAL A 85 2.999 8.110 -2.035 1.00 20.40 H new ATOM 0 HG23 VAL A 85 1.973 9.378 -2.746 1.00 20.40 H new ATOM 1311 N GLU A 86 5.759 8.140 -6.176 1.00 33.05 N ATOM 1312 CA GLU A 86 6.371 7.595 -7.402 1.00 53.14 C ATOM 1313 C GLU A 86 6.170 6.079 -7.492 1.00 63.23 C ATOM 1314 O GLU A 86 6.109 5.521 -8.595 1.00 71.42 O ATOM 1315 CB GLU A 86 7.886 7.956 -7.460 1.00 61.03 C ATOM 1316 CG GLU A 86 8.178 9.377 -8.002 1.00 51.14 C ATOM 1317 CD GLU A 86 7.767 9.532 -9.479 1.00 61.13 C ATOM 1318 OE1 GLU A 86 8.490 9.018 -10.358 1.00 44.41 O ATOM 1319 OE2 GLU A 86 6.705 10.128 -9.771 1.00 21.52 O ATOM 0 H GLU A 86 6.440 8.408 -5.466 1.00 33.05 H new ATOM 0 HA GLU A 86 5.874 8.048 -8.260 1.00 53.14 H new ATOM 0 HB2 GLU A 86 8.308 7.867 -6.459 1.00 61.03 H new ATOM 0 HB3 GLU A 86 8.398 7.227 -8.088 1.00 61.03 H new ATOM 0 HG2 GLU A 86 7.644 10.111 -7.399 1.00 51.14 H new ATOM 0 HG3 GLU A 86 9.241 9.592 -7.898 1.00 51.14 H new ATOM 1326 N GLY A 87 6.068 5.419 -6.329 1.00 12.20 N ATOM 1327 CA GLY A 87 5.871 3.977 -6.287 1.00 51.20 C ATOM 1328 C GLY A 87 5.618 3.444 -4.896 1.00 24.50 C ATOM 1329 O GLY A 87 5.524 4.202 -3.930 1.00 10.14 O ATOM 0 H GLY A 87 6.119 5.865 -5.413 1.00 12.20 H new ATOM 0 HA2 GLY A 87 5.029 3.714 -6.927 1.00 51.20 H new ATOM 0 HA3 GLY A 87 6.751 3.486 -6.701 1.00 51.20 H new ATOM 1333 N VAL A 88 5.493 2.115 -4.827 1.00 2.14 N ATOM 1334 CA VAL A 88 5.339 1.344 -3.580 1.00 34.31 C ATOM 1335 C VAL A 88 6.323 0.164 -3.638 1.00 63.40 C ATOM 1336 O VAL A 88 6.496 -0.439 -4.701 1.00 15.04 O ATOM 1337 CB VAL A 88 3.854 0.815 -3.385 1.00 13.23 C ATOM 1338 CG1 VAL A 88 3.720 -0.154 -2.179 1.00 52.01 C ATOM 1339 CG2 VAL A 88 2.868 1.994 -3.218 1.00 13.44 C ATOM 0 H VAL A 88 5.496 1.525 -5.659 1.00 2.14 H new ATOM 0 HA VAL A 88 5.552 1.990 -2.729 1.00 34.31 H new ATOM 0 HB VAL A 88 3.604 0.257 -4.287 1.00 13.23 H new ATOM 0 HG11 VAL A 88 2.685 -0.485 -2.092 1.00 52.01 H new ATOM 0 HG12 VAL A 88 4.366 -1.018 -2.333 1.00 52.01 H new ATOM 0 HG13 VAL A 88 4.015 0.360 -1.264 1.00 52.01 H new ATOM 0 HG21 VAL A 88 1.857 1.607 -3.086 1.00 13.44 H new ATOM 0 HG22 VAL A 88 3.149 2.582 -2.344 1.00 13.44 H new ATOM 0 HG23 VAL A 88 2.902 2.625 -4.106 1.00 13.44 H new ATOM 1349 N GLU A 89 6.974 -0.153 -2.509 1.00 40.22 N ATOM 1350 CA GLU A 89 7.948 -1.257 -2.430 1.00 61.11 C ATOM 1351 C GLU A 89 7.555 -2.235 -1.314 1.00 61.33 C ATOM 1352 O GLU A 89 7.000 -1.832 -0.281 1.00 70.54 O ATOM 1353 CB GLU A 89 9.378 -0.701 -2.195 1.00 51.24 C ATOM 1354 CG GLU A 89 10.509 -1.723 -2.431 1.00 44.53 C ATOM 1355 CD GLU A 89 11.906 -1.098 -2.334 1.00 24.22 C ATOM 1356 OE1 GLU A 89 12.145 -0.061 -2.993 1.00 1.35 O ATOM 1357 OE2 GLU A 89 12.776 -1.646 -1.631 1.00 1.33 O ATOM 0 H GLU A 89 6.843 0.344 -1.628 1.00 40.22 H new ATOM 0 HA GLU A 89 7.943 -1.797 -3.377 1.00 61.11 H new ATOM 0 HB2 GLU A 89 9.535 0.153 -2.853 1.00 51.24 H new ATOM 0 HB3 GLU A 89 9.447 -0.332 -1.172 1.00 51.24 H new ATOM 0 HG2 GLU A 89 10.424 -2.527 -1.700 1.00 44.53 H new ATOM 0 HG3 GLU A 89 10.385 -2.174 -3.416 1.00 44.53 H new ATOM 1364 N GLN A 90 7.854 -3.522 -1.543 1.00 62.04 N ATOM 1365 CA GLN A 90 7.616 -4.592 -0.570 1.00 72.14 C ATOM 1366 C GLN A 90 8.804 -4.660 0.399 1.00 64.43 C ATOM 1367 O GLN A 90 9.958 -4.720 -0.030 1.00 54.31 O ATOM 1368 CB GLN A 90 7.451 -5.955 -1.294 1.00 50.33 C ATOM 1369 CG GLN A 90 7.204 -7.156 -0.349 1.00 43.14 C ATOM 1370 CD GLN A 90 7.148 -8.515 -1.058 1.00 1.41 C ATOM 1371 OE1 GLN A 90 7.812 -8.735 -2.069 1.00 61.14 O ATOM 1372 NE2 GLN A 90 6.350 -9.432 -0.532 1.00 44.41 N ATOM 0 H GLN A 90 8.270 -3.849 -2.415 1.00 62.04 H new ATOM 0 HA GLN A 90 6.700 -4.380 -0.019 1.00 72.14 H new ATOM 0 HB2 GLN A 90 6.619 -5.882 -1.994 1.00 50.33 H new ATOM 0 HB3 GLN A 90 8.347 -6.150 -1.883 1.00 50.33 H new ATOM 0 HG2 GLN A 90 7.995 -7.182 0.400 1.00 43.14 H new ATOM 0 HG3 GLN A 90 6.266 -6.998 0.183 1.00 43.14 H new ATOM 0 HE21 GLN A 90 5.812 -9.219 0.308 1.00 44.41 H new ATOM 0 HE22 GLN A 90 6.274 -10.352 -0.967 1.00 44.41 H new ATOM 1381 N VAL A 91 8.502 -4.612 1.700 1.00 61.24 N ATOM 1382 CA VAL A 91 9.471 -4.855 2.784 1.00 41.51 C ATOM 1383 C VAL A 91 8.849 -5.849 3.784 1.00 41.05 C ATOM 1384 O VAL A 91 7.637 -6.095 3.747 1.00 13.31 O ATOM 1385 CB VAL A 91 9.886 -3.517 3.523 1.00 73.34 C ATOM 1386 CG1 VAL A 91 10.684 -2.578 2.593 1.00 12.52 C ATOM 1387 CG2 VAL A 91 8.659 -2.772 4.088 1.00 40.00 C ATOM 0 H VAL A 91 7.564 -4.400 2.040 1.00 61.24 H new ATOM 0 HA VAL A 91 10.381 -5.270 2.351 1.00 41.51 H new ATOM 0 HB VAL A 91 10.526 -3.809 4.355 1.00 73.34 H new ATOM 0 HG11 VAL A 91 10.951 -1.671 3.135 1.00 12.52 H new ATOM 0 HG12 VAL A 91 11.591 -3.082 2.259 1.00 12.52 H new ATOM 0 HG13 VAL A 91 10.074 -2.318 1.728 1.00 12.52 H new ATOM 0 HG21 VAL A 91 8.985 -1.860 4.587 1.00 40.00 H new ATOM 0 HG22 VAL A 91 7.981 -2.517 3.273 1.00 40.00 H new ATOM 0 HG23 VAL A 91 8.142 -3.412 4.803 1.00 40.00 H new