USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 785 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 18 MET CE :methyl -161:sc= -1.33 (180deg=-3.02!) USER MOD Set 1.2: A 60 SER OG : rot 60:sc= 0.684 USER MOD Set 2.1: A 56 CYS SG : rot 74:sc= -0.0746 USER MOD Set 2.2: A 69 TYR OH : rot -146:sc= 0.384 USER MOD Set 3.1: A 47 HIS : no HE2:sc= -1.76! X(o=-1.8!,f=-2) USER MOD Set 3.2: A 48 GLN : amide:sc= -0.0262 X(o=-1.8,f=-2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 17 GLN : amide:sc= -0.392 K(o=-0.39,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 57:sc= -0.159 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 41:sc= 0.505 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0858 K(o=-0.086,f=-7.1!) USER MOD Single : A 58 THR OG1 : rot 73:sc= 0.908 USER MOD Single : A 59 LYS NZ :NH3+ -144:sc= -2.79! (180deg=-5.24!) USER MOD Single : A 66 THR OG1 : rot 41:sc= 0.0101 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.1) USER MOD Single : A 76 ASN : amide:sc= -6.24! C(o=-6.2!,f=-6.8!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.058) USER MOD Single : A 85 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 88 SER OG : rot 48:sc= 0.368 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 84:sc= 0.462 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0108 (180deg=-0.189) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 10:sc= 0.387 USER MOD ----------------------------------------------------------------- ATOM 217 N ALA A 14 -1.501 17.761 2.886 1.00 1.31 N ATOM 218 CA ALA A 14 -1.757 16.376 3.367 1.00 24.13 C ATOM 219 C ALA A 14 -0.494 15.490 3.275 1.00 64.32 C ATOM 220 O ALA A 14 -0.248 14.647 4.135 1.00 2.35 O ATOM 221 CB ALA A 14 -2.914 15.715 2.553 1.00 71.22 C ATOM 0 HA ALA A 14 -2.045 16.453 4.415 1.00 24.13 H new ATOM 0 HB1 ALA A 14 -3.085 14.703 2.920 1.00 71.22 H new ATOM 0 HB2 ALA A 14 -3.824 16.303 2.671 1.00 71.22 H new ATOM 0 HB3 ALA A 14 -2.641 15.677 1.498 1.00 71.22 H new ATOM 227 N THR A 15 0.309 15.725 2.241 1.00 63.53 N ATOM 228 CA THR A 15 1.414 14.851 1.817 1.00 4.33 C ATOM 229 C THR A 15 2.523 14.673 2.869 1.00 64.53 C ATOM 230 O THR A 15 2.987 13.570 3.093 1.00 41.24 O ATOM 231 CB THR A 15 2.038 15.445 0.536 1.00 63.31 C ATOM 232 OG1 THR A 15 2.150 16.876 0.675 1.00 43.45 O ATOM 233 CG2 THR A 15 1.230 15.112 -0.724 1.00 61.12 C ATOM 0 H THR A 15 0.211 16.553 1.653 1.00 63.53 H new ATOM 0 HA THR A 15 0.986 13.862 1.654 1.00 4.33 H new ATOM 0 HB THR A 15 3.023 14.994 0.415 1.00 63.31 H new ATOM 0 HG1 THR A 15 2.548 17.253 -0.137 1.00 43.45 H new ATOM 0 HG21 THR A 15 1.714 15.555 -1.594 1.00 61.12 H new ATOM 0 HG22 THR A 15 1.179 14.030 -0.848 1.00 61.12 H new ATOM 0 HG23 THR A 15 0.222 15.514 -0.626 1.00 61.12 H new ATOM 241 N ALA A 16 2.987 15.770 3.442 1.00 44.35 N ATOM 242 CA ALA A 16 4.031 15.772 4.456 1.00 60.31 C ATOM 243 C ALA A 16 3.624 14.876 5.656 1.00 21.41 C ATOM 244 O ALA A 16 4.356 13.959 6.062 1.00 35.52 O ATOM 245 CB ALA A 16 4.260 17.296 4.886 1.00 34.34 C ATOM 0 H ALA A 16 2.643 16.702 3.212 1.00 44.35 H new ATOM 0 HA ALA A 16 4.962 15.356 4.072 1.00 60.31 H new ATOM 0 HB1 ALA A 16 5.038 17.346 5.648 1.00 34.34 H new ATOM 0 HB2 ALA A 16 4.566 17.877 4.016 1.00 34.34 H new ATOM 0 HB3 ALA A 16 3.332 17.704 5.287 1.00 34.34 H new ATOM 251 N GLN A 17 2.413 15.099 6.129 1.00 64.45 N ATOM 252 CA GLN A 17 1.871 14.372 7.261 1.00 52.21 C ATOM 253 C GLN A 17 1.628 12.925 6.853 1.00 53.45 C ATOM 254 O GLN A 17 1.905 11.996 7.610 1.00 33.14 O ATOM 255 CB GLN A 17 0.557 15.014 7.768 1.00 53.15 C ATOM 256 CG GLN A 17 0.717 16.408 8.386 1.00 63.43 C ATOM 257 CD GLN A 17 0.787 17.542 7.360 1.00 30.10 C ATOM 258 OE1 GLN A 17 1.234 17.354 6.233 1.00 40.33 O ATOM 259 NE2 GLN A 17 0.322 18.725 7.741 1.00 61.41 N ATOM 0 H GLN A 17 1.775 15.792 5.738 1.00 64.45 H new ATOM 0 HA GLN A 17 2.591 14.411 8.078 1.00 52.21 H new ATOM 0 HB2 GLN A 17 -0.143 15.080 6.935 1.00 53.15 H new ATOM 0 HB3 GLN A 17 0.109 14.353 8.510 1.00 53.15 H new ATOM 0 HG2 GLN A 17 -0.120 16.593 9.060 1.00 63.43 H new ATOM 0 HG3 GLN A 17 1.623 16.424 8.991 1.00 63.43 H new ATOM 0 HE21 GLN A 17 -0.043 18.849 8.685 1.00 61.41 H new ATOM 0 HE22 GLN A 17 0.330 19.510 7.090 1.00 61.41 H new ATOM 268 N MET A 18 1.126 12.755 5.631 1.00 44.11 N ATOM 269 CA MET A 18 0.827 11.425 5.077 1.00 42.41 C ATOM 270 C MET A 18 2.109 10.672 4.821 1.00 42.12 C ATOM 271 O MET A 18 2.133 9.455 4.829 1.00 31.11 O ATOM 272 CB MET A 18 0.014 11.546 3.778 1.00 65.42 C ATOM 273 CG MET A 18 -0.724 10.271 3.330 1.00 61.22 C ATOM 274 SD MET A 18 0.172 9.228 2.327 1.00 13.43 S ATOM 275 CE MET A 18 0.735 10.381 1.139 1.00 30.54 C ATOM 0 H MET A 18 0.915 13.526 4.997 1.00 44.11 H new ATOM 0 HA MET A 18 0.230 10.874 5.804 1.00 42.41 H new ATOM 0 HB2 MET A 18 -0.719 12.343 3.903 1.00 65.42 H new ATOM 0 HB3 MET A 18 0.687 11.854 2.978 1.00 65.42 H new ATOM 0 HG2 MET A 18 -1.033 9.719 4.218 1.00 61.22 H new ATOM 0 HG3 MET A 18 -1.633 10.563 2.804 1.00 61.22 H new ATOM 0 HE1 MET A 18 1.045 9.853 0.238 1.00 30.54 H new ATOM 0 HE2 MET A 18 -0.070 11.074 0.895 1.00 30.54 H new ATOM 0 HE3 MET A 18 1.581 10.936 1.543 1.00 30.54 H new ATOM 285 N GLU A 19 3.154 11.422 4.553 1.00 31.33 N ATOM 286 CA GLU A 19 4.487 10.886 4.406 1.00 44.24 C ATOM 287 C GLU A 19 4.973 10.344 5.750 1.00 62.10 C ATOM 288 O GLU A 19 5.575 9.274 5.816 1.00 5.13 O ATOM 289 CB GLU A 19 5.399 11.994 3.870 1.00 5.24 C ATOM 290 CG GLU A 19 6.805 11.538 3.512 1.00 13.10 C ATOM 291 CD GLU A 19 7.828 11.762 4.621 1.00 71.22 C ATOM 292 OE1 GLU A 19 8.217 12.929 4.850 1.00 63.53 O ATOM 293 OE2 GLU A 19 8.276 10.779 5.244 1.00 24.22 O ATOM 0 H GLU A 19 3.101 12.433 4.430 1.00 31.33 H new ATOM 0 HA GLU A 19 4.498 10.057 3.699 1.00 44.24 H new ATOM 0 HB2 GLU A 19 4.936 12.431 2.985 1.00 5.24 H new ATOM 0 HB3 GLU A 19 5.467 12.784 4.618 1.00 5.24 H new ATOM 0 HG2 GLU A 19 6.780 10.477 3.263 1.00 13.10 H new ATOM 0 HG3 GLU A 19 7.132 12.068 2.617 1.00 13.10 H new ATOM 300 N GLU A 20 4.699 11.094 6.820 1.00 43.14 N ATOM 301 CA GLU A 20 4.954 10.625 8.187 1.00 11.22 C ATOM 302 C GLU A 20 4.144 9.346 8.505 1.00 2.12 C ATOM 303 O GLU A 20 4.716 8.313 8.856 1.00 33.30 O ATOM 304 CB GLU A 20 4.624 11.728 9.199 1.00 63.34 C ATOM 305 CG GLU A 20 5.515 12.963 9.094 1.00 34.22 C ATOM 306 CD GLU A 20 5.363 13.873 10.297 1.00 43.21 C ATOM 307 OE1 GLU A 20 5.863 13.512 11.382 1.00 60.34 O ATOM 308 OE2 GLU A 20 4.734 14.946 10.175 1.00 74.21 O ATOM 0 H GLU A 20 4.300 12.031 6.767 1.00 43.14 H new ATOM 0 HA GLU A 20 6.013 10.379 8.263 1.00 11.22 H new ATOM 0 HB2 GLU A 20 3.586 12.031 9.063 1.00 63.34 H new ATOM 0 HB3 GLU A 20 4.708 11.318 10.206 1.00 63.34 H new ATOM 0 HG2 GLU A 20 6.556 12.653 9.002 1.00 34.22 H new ATOM 0 HG3 GLU A 20 5.266 13.515 8.188 1.00 34.22 H new ATOM 315 N LYS A 21 2.814 9.434 8.387 1.00 23.51 N ATOM 316 CA LYS A 21 1.914 8.275 8.545 1.00 1.40 C ATOM 317 C LYS A 21 2.434 7.067 7.764 1.00 62.10 C ATOM 318 O LYS A 21 2.557 5.955 8.291 1.00 72.52 O ATOM 319 CB LYS A 21 0.501 8.643 8.028 1.00 4.05 C ATOM 320 CG LYS A 21 -0.525 9.004 9.105 1.00 20.10 C ATOM 321 CD LYS A 21 -0.209 10.331 9.789 1.00 4.15 C ATOM 322 CE LYS A 21 -1.412 10.870 10.554 1.00 51.51 C ATOM 323 NZ LYS A 21 -1.075 12.101 11.312 1.00 40.44 N ATOM 0 H LYS A 21 2.328 10.306 8.180 1.00 23.51 H new ATOM 0 HA LYS A 21 1.872 8.016 9.603 1.00 1.40 H new ATOM 0 HB2 LYS A 21 0.593 9.485 7.342 1.00 4.05 H new ATOM 0 HB3 LYS A 21 0.115 7.803 7.451 1.00 4.05 H new ATOM 0 HG2 LYS A 21 -1.516 9.057 8.655 1.00 20.10 H new ATOM 0 HG3 LYS A 21 -0.557 8.212 9.853 1.00 20.10 H new ATOM 0 HD2 LYS A 21 0.628 10.197 10.474 1.00 4.15 H new ATOM 0 HD3 LYS A 21 0.104 11.060 9.042 1.00 4.15 H new ATOM 0 HE2 LYS A 21 -2.221 11.083 9.856 1.00 51.51 H new ATOM 0 HE3 LYS A 21 -1.777 10.108 11.242 1.00 51.51 H new ATOM 0 HZ1 LYS A 21 -1.918 12.438 11.819 1.00 40.44 H new ATOM 0 HZ2 LYS A 21 -0.320 11.892 11.996 1.00 40.44 H new ATOM 0 HZ3 LYS A 21 -0.751 12.837 10.653 1.00 40.44 H new ATOM 337 N LEU A 22 2.752 7.321 6.507 1.00 5.34 N ATOM 338 CA LEU A 22 3.145 6.289 5.562 1.00 12.33 C ATOM 339 C LEU A 22 4.467 5.637 5.966 1.00 41.22 C ATOM 340 O LEU A 22 4.566 4.420 6.004 1.00 61.41 O ATOM 341 CB LEU A 22 3.240 6.913 4.168 1.00 31.10 C ATOM 342 CG LEU A 22 3.181 5.942 2.983 1.00 53.14 C ATOM 343 CD1 LEU A 22 2.873 6.710 1.700 1.00 1.14 C ATOM 344 CD2 LEU A 22 4.484 5.158 2.848 1.00 71.40 C ATOM 0 H LEU A 22 2.745 8.260 6.109 1.00 5.34 H new ATOM 0 HA LEU A 22 2.394 5.499 5.558 1.00 12.33 H new ATOM 0 HB2 LEU A 22 2.430 7.634 4.060 1.00 31.10 H new ATOM 0 HB3 LEU A 22 4.174 7.472 4.106 1.00 31.10 H new ATOM 0 HG LEU A 22 2.383 5.222 3.163 1.00 53.14 H new ATOM 0 HD11 LEU A 22 2.832 6.015 0.861 1.00 1.14 H new ATOM 0 HD12 LEU A 22 1.912 7.215 1.800 1.00 1.14 H new ATOM 0 HD13 LEU A 22 3.654 7.449 1.522 1.00 1.14 H new ATOM 0 HD21 LEU A 22 4.413 4.478 1.999 1.00 71.40 H new ATOM 0 HD22 LEU A 22 5.311 5.851 2.689 1.00 71.40 H new ATOM 0 HD23 LEU A 22 4.660 4.585 3.759 1.00 71.40 H new ATOM 356 N ARG A 23 5.479 6.447 6.253 1.00 1.31 N ATOM 357 CA ARG A 23 6.803 5.932 6.619 1.00 34.34 C ATOM 358 C ARG A 23 6.752 5.171 7.945 1.00 50.43 C ATOM 359 O ARG A 23 7.413 4.156 8.110 1.00 55.41 O ATOM 360 CB ARG A 23 7.814 7.076 6.749 1.00 52.23 C ATOM 361 CG ARG A 23 7.523 7.954 7.950 1.00 63.42 C ATOM 362 CD ARG A 23 8.544 9.044 8.174 1.00 21.41 C ATOM 363 NE ARG A 23 8.271 9.686 9.455 1.00 1.33 N ATOM 364 CZ ARG A 23 8.788 10.852 9.857 1.00 63.14 C ATOM 365 NH1 ARG A 23 9.639 11.520 9.081 1.00 51.12 N ATOM 366 NH2 ARG A 23 8.400 11.361 11.019 1.00 21.25 N ATOM 0 H ARG A 23 5.413 7.465 6.241 1.00 1.31 H new ATOM 0 HA ARG A 23 7.115 5.253 5.825 1.00 34.34 H new ATOM 0 HB2 ARG A 23 8.819 6.664 6.836 1.00 52.23 H new ATOM 0 HB3 ARG A 23 7.795 7.682 5.843 1.00 52.23 H new ATOM 0 HG2 ARG A 23 6.541 8.410 7.825 1.00 63.42 H new ATOM 0 HG3 ARG A 23 7.473 7.328 8.841 1.00 63.42 H new ATOM 0 HD2 ARG A 23 9.550 8.626 8.168 1.00 21.41 H new ATOM 0 HD3 ARG A 23 8.498 9.776 7.367 1.00 21.41 H new ATOM 0 HE ARG A 23 7.636 9.208 10.094 1.00 1.33 H new ATOM 0 HH11 ARG A 23 9.902 11.143 8.170 1.00 51.12 H new ATOM 0 HH12 ARG A 23 10.028 12.409 9.397 1.00 51.12 H new ATOM 0 HH21 ARG A 23 7.717 10.864 11.591 1.00 21.25 H new ATOM 0 HH22 ARG A 23 8.784 12.249 11.340 1.00 21.25 H new ATOM 380 N ASP A 24 5.992 5.685 8.905 1.00 3.31 N ATOM 381 CA ASP A 24 5.881 5.043 10.215 1.00 41.10 C ATOM 382 C ASP A 24 4.980 3.808 10.132 1.00 22.11 C ATOM 383 O ASP A 24 4.988 2.950 11.018 1.00 13.11 O ATOM 384 CB ASP A 24 5.412 6.055 11.274 1.00 50.02 C ATOM 385 CG ASP A 24 6.538 7.011 11.673 1.00 31.31 C ATOM 386 OD1 ASP A 24 7.518 6.560 12.312 1.00 62.41 O ATOM 387 OD2 ASP A 24 6.475 8.207 11.324 1.00 44.34 O ATOM 0 H ASP A 24 5.445 6.540 8.805 1.00 3.31 H new ATOM 0 HA ASP A 24 6.865 4.694 10.529 1.00 41.10 H new ATOM 0 HB2 ASP A 24 4.569 6.626 10.885 1.00 50.02 H new ATOM 0 HB3 ASP A 24 5.056 5.522 12.156 1.00 50.02 H new ATOM 392 N PHE A 25 4.182 3.756 9.073 1.00 53.23 N ATOM 393 CA PHE A 25 3.522 2.528 8.616 1.00 11.42 C ATOM 394 C PHE A 25 4.569 1.558 8.013 1.00 53.42 C ATOM 395 O PHE A 25 4.647 0.389 8.389 1.00 13.11 O ATOM 396 CB PHE A 25 2.465 2.929 7.558 1.00 11.51 C ATOM 397 CG PHE A 25 2.024 1.838 6.603 1.00 63.11 C ATOM 398 CD1 PHE A 25 2.879 1.403 5.598 1.00 24.12 C ATOM 399 CD2 PHE A 25 0.760 1.273 6.684 1.00 5.30 C ATOM 400 CE1 PHE A 25 2.495 0.428 4.708 1.00 63.20 C ATOM 401 CE2 PHE A 25 0.368 0.295 5.785 1.00 12.13 C ATOM 402 CZ PHE A 25 1.239 -0.127 4.797 1.00 31.03 C ATOM 0 H PHE A 25 3.969 4.571 8.498 1.00 53.23 H new ATOM 0 HA PHE A 25 3.038 2.015 9.447 1.00 11.42 H new ATOM 0 HB2 PHE A 25 1.584 3.304 8.079 1.00 11.51 H new ATOM 0 HB3 PHE A 25 2.865 3.756 6.971 1.00 11.51 H new ATOM 0 HD1 PHE A 25 3.864 1.839 5.514 1.00 24.12 H new ATOM 0 HD2 PHE A 25 0.076 1.598 7.454 1.00 5.30 H new ATOM 0 HE1 PHE A 25 3.179 0.098 3.940 1.00 63.20 H new ATOM 0 HE2 PHE A 25 -0.619 -0.138 5.856 1.00 12.13 H new ATOM 0 HZ PHE A 25 0.934 -0.891 4.097 1.00 31.03 H new ATOM 412 N THR A 26 5.363 2.087 7.069 1.00 55.54 N ATOM 413 CA THR A 26 6.293 1.301 6.241 1.00 34.15 C ATOM 414 C THR A 26 7.491 0.740 7.000 1.00 32.14 C ATOM 415 O THR A 26 7.678 -0.455 7.020 1.00 74.12 O ATOM 416 CB THR A 26 6.850 2.142 5.070 1.00 73.12 C ATOM 417 OG1 THR A 26 5.774 2.690 4.303 1.00 24.42 O ATOM 418 CG2 THR A 26 7.756 1.304 4.166 1.00 52.13 C ATOM 0 H THR A 26 5.378 3.084 6.856 1.00 55.54 H new ATOM 0 HA THR A 26 5.689 0.466 5.886 1.00 34.15 H new ATOM 0 HB THR A 26 7.445 2.952 5.492 1.00 73.12 H new ATOM 0 HG1 THR A 26 5.193 3.221 4.887 1.00 24.42 H new ATOM 0 HG21 THR A 26 8.132 1.924 3.352 1.00 52.13 H new ATOM 0 HG22 THR A 26 8.595 0.920 4.747 1.00 52.13 H new ATOM 0 HG23 THR A 26 7.188 0.470 3.754 1.00 52.13 H new ATOM 426 N ARG A 27 8.294 1.605 7.607 1.00 53.34 N ATOM 427 CA ARG A 27 9.606 1.215 8.142 1.00 72.03 C ATOM 428 C ARG A 27 9.530 0.038 9.103 1.00 73.33 C ATOM 429 O ARG A 27 10.530 -0.660 9.295 1.00 21.54 O ATOM 430 CB ARG A 27 10.286 2.421 8.794 1.00 33.53 C ATOM 431 CG ARG A 27 10.406 3.588 7.819 1.00 15.20 C ATOM 432 CD ARG A 27 11.082 4.811 8.425 1.00 63.24 C ATOM 433 NE ARG A 27 10.203 5.574 9.317 1.00 11.11 N ATOM 434 CZ ARG A 27 10.553 6.744 9.847 1.00 4.13 C ATOM 435 NH1 ARG A 27 11.726 7.293 9.525 1.00 12.23 N ATOM 436 NH2 ARG A 27 9.796 7.289 10.787 1.00 54.35 N ATOM 0 H ARG A 27 8.063 2.589 7.745 1.00 53.34 H new ATOM 0 HA ARG A 27 10.210 0.876 7.301 1.00 72.03 H new ATOM 0 HB2 ARG A 27 9.715 2.733 9.669 1.00 33.53 H new ATOM 0 HB3 ARG A 27 11.277 2.135 9.145 1.00 33.53 H new ATOM 0 HG2 ARG A 27 10.971 3.265 6.944 1.00 15.20 H new ATOM 0 HG3 ARG A 27 9.411 3.866 7.471 1.00 15.20 H new ATOM 0 HD2 ARG A 27 11.964 4.493 8.980 1.00 63.24 H new ATOM 0 HD3 ARG A 27 11.428 5.462 7.622 1.00 63.24 H new ATOM 0 HE ARG A 27 9.284 5.192 9.541 1.00 11.11 H new ATOM 0 HH11 ARG A 27 12.351 6.816 8.875 1.00 12.23 H new ATOM 0 HH12 ARG A 27 11.998 8.189 9.929 1.00 12.23 H new ATOM 0 HH21 ARG A 27 8.950 6.813 11.101 1.00 54.35 H new ATOM 0 HH22 ARG A 27 10.058 8.185 11.197 1.00 54.35 H new ATOM 450 N ALA A 28 8.366 -0.208 9.698 1.00 52.14 N ATOM 451 CA ALA A 28 8.214 -1.418 10.501 1.00 1.21 C ATOM 452 C ALA A 28 8.513 -2.653 9.653 1.00 73.20 C ATOM 453 O ALA A 28 9.129 -3.612 10.128 1.00 31.11 O ATOM 454 CB ALA A 28 6.788 -1.539 11.175 1.00 32.55 C ATOM 0 H ALA A 28 7.541 0.390 9.644 1.00 52.14 H new ATOM 0 HA ALA A 28 8.935 -1.351 11.315 1.00 1.21 H new ATOM 0 HB1 ALA A 28 6.738 -2.459 11.758 1.00 32.55 H new ATOM 0 HB2 ALA A 28 6.622 -0.684 11.831 1.00 32.55 H new ATOM 0 HB3 ALA A 28 6.020 -1.557 10.401 1.00 32.55 H new ATOM 460 N TYR A 29 8.097 -2.623 8.390 1.00 0.41 N ATOM 461 CA TYR A 29 8.327 -3.736 7.487 1.00 61.34 C ATOM 462 C TYR A 29 8.853 -3.274 6.115 1.00 33.24 C ATOM 463 O TYR A 29 8.953 -2.089 5.823 1.00 52.40 O ATOM 464 CB TYR A 29 7.058 -4.610 7.366 1.00 51.44 C ATOM 465 CG TYR A 29 5.766 -3.859 7.591 1.00 2.14 C ATOM 466 CD1 TYR A 29 5.330 -2.918 6.677 1.00 11.51 C ATOM 467 CD2 TYR A 29 5.000 -4.083 8.730 1.00 25.44 C ATOM 468 CE1 TYR A 29 4.167 -2.207 6.888 1.00 53.10 C ATOM 469 CE2 TYR A 29 3.830 -3.385 8.948 1.00 25.23 C ATOM 470 CZ TYR A 29 3.415 -2.443 8.024 1.00 31.53 C ATOM 471 OH TYR A 29 2.258 -1.729 8.240 1.00 61.53 O ATOM 0 H TYR A 29 7.599 -1.837 7.973 1.00 0.41 H new ATOM 0 HA TYR A 29 9.115 -4.355 7.916 1.00 61.34 H new ATOM 0 HB2 TYR A 29 7.035 -5.062 6.374 1.00 51.44 H new ATOM 0 HB3 TYR A 29 7.122 -5.425 8.087 1.00 51.44 H new ATOM 0 HD1 TYR A 29 5.909 -2.737 5.784 1.00 11.51 H new ATOM 0 HD2 TYR A 29 5.326 -4.814 9.455 1.00 25.44 H new ATOM 0 HE1 TYR A 29 3.845 -1.469 6.169 1.00 53.10 H new ATOM 0 HE2 TYR A 29 3.242 -3.573 9.834 1.00 25.23 H new ATOM 0 HH TYR A 29 1.849 -2.017 9.083 1.00 61.53 H new ATOM 481 N GLU A 30 9.202 -4.247 5.295 1.00 60.13 N ATOM 482 CA GLU A 30 9.886 -4.047 4.017 1.00 31.42 C ATOM 483 C GLU A 30 9.673 -5.332 3.205 1.00 61.45 C ATOM 484 O GLU A 30 8.820 -6.132 3.579 1.00 1.01 O ATOM 485 CB GLU A 30 11.395 -3.800 4.276 1.00 52.25 C ATOM 486 CG GLU A 30 11.761 -2.385 4.737 1.00 2.20 C ATOM 487 CD GLU A 30 12.056 -1.439 3.580 1.00 34.00 C ATOM 488 OE1 GLU A 30 13.094 -1.626 2.906 1.00 73.12 O ATOM 489 OE2 GLU A 30 11.270 -0.505 3.337 1.00 62.10 O ATOM 0 H GLU A 30 9.015 -5.229 5.499 1.00 60.13 H new ATOM 0 HA GLU A 30 9.498 -3.184 3.476 1.00 31.42 H new ATOM 0 HB2 GLU A 30 11.738 -4.509 5.030 1.00 52.25 H new ATOM 0 HB3 GLU A 30 11.944 -4.019 3.360 1.00 52.25 H new ATOM 0 HG2 GLU A 30 10.942 -1.979 5.331 1.00 2.20 H new ATOM 0 HG3 GLU A 30 12.633 -2.436 5.389 1.00 2.20 H new ATOM 496 N PRO A 31 10.380 -5.558 2.078 1.00 33.25 N ATOM 497 CA PRO A 31 10.550 -6.914 1.563 1.00 75.11 C ATOM 498 C PRO A 31 11.536 -7.642 2.457 1.00 61.12 C ATOM 499 O PRO A 31 11.382 -8.822 2.772 1.00 22.22 O ATOM 500 CB PRO A 31 11.139 -6.743 0.158 1.00 50.50 C ATOM 501 CG PRO A 31 11.535 -5.303 0.020 1.00 11.14 C ATOM 502 CD PRO A 31 11.016 -4.540 1.221 1.00 10.30 C ATOM 0 HA PRO A 31 9.620 -7.482 1.537 1.00 75.11 H new ATOM 0 HB2 PRO A 31 12.001 -7.395 0.020 1.00 50.50 H new ATOM 0 HB3 PRO A 31 10.408 -7.016 -0.603 1.00 50.50 H new ATOM 0 HG2 PRO A 31 12.619 -5.214 -0.045 1.00 11.14 H new ATOM 0 HG3 PRO A 31 11.125 -4.885 -0.899 1.00 11.14 H new ATOM 0 HD2 PRO A 31 11.826 -4.033 1.746 1.00 10.30 H new ATOM 0 HD3 PRO A 31 10.301 -3.774 0.922 1.00 10.30 H new ATOM 510 N ASP A 32 12.543 -6.882 2.863 1.00 22.32 N ATOM 511 CA ASP A 32 13.541 -7.335 3.808 1.00 13.31 C ATOM 512 C ASP A 32 12.895 -7.850 5.098 1.00 50.00 C ATOM 513 O ASP A 32 13.133 -8.991 5.501 1.00 74.41 O ATOM 514 CB ASP A 32 14.501 -6.185 4.134 1.00 21.54 C ATOM 515 CG ASP A 32 15.656 -6.624 5.021 1.00 22.24 C ATOM 516 OD1 ASP A 32 15.440 -6.847 6.222 1.00 74.44 O ATOM 517 OD2 ASP A 32 16.788 -6.746 4.520 1.00 51.20 O ATOM 0 H ASP A 32 12.687 -5.925 2.540 1.00 22.32 H new ATOM 0 HA ASP A 32 14.091 -8.159 3.353 1.00 13.31 H new ATOM 0 HB2 ASP A 32 14.896 -5.772 3.206 1.00 21.54 H new ATOM 0 HB3 ASP A 32 13.950 -5.386 4.629 1.00 21.54 H new ATOM 522 N SER A 33 12.083 -7.015 5.759 1.00 1.32 N ATOM 523 CA SER A 33 11.522 -7.392 7.066 1.00 53.54 C ATOM 524 C SER A 33 9.998 -7.298 7.161 1.00 3.33 C ATOM 525 O SER A 33 9.416 -6.257 6.984 1.00 43.33 O ATOM 526 CB SER A 33 12.114 -6.518 8.162 1.00 62.44 C ATOM 527 OG SER A 33 13.524 -6.548 8.128 1.00 53.31 O ATOM 0 H SER A 33 11.804 -6.094 5.422 1.00 1.32 H new ATOM 0 HA SER A 33 11.788 -8.442 7.191 1.00 53.54 H new ATOM 0 HB2 SER A 33 11.766 -5.492 8.042 1.00 62.44 H new ATOM 0 HB3 SER A 33 11.763 -6.862 9.135 1.00 62.44 H new ATOM 0 HG SER A 33 13.829 -6.522 7.197 1.00 53.31 H new ATOM 533 N VAL A 34 9.408 -8.445 7.418 1.00 12.52 N ATOM 534 CA VAL A 34 8.087 -8.583 8.037 1.00 74.52 C ATOM 535 C VAL A 34 8.125 -9.901 8.777 1.00 2.12 C ATOM 536 O VAL A 34 8.375 -9.992 9.978 1.00 24.32 O ATOM 537 CB VAL A 34 6.906 -8.662 7.034 1.00 33.13 C ATOM 538 CG1 VAL A 34 5.547 -8.753 7.750 1.00 65.51 C ATOM 539 CG2 VAL A 34 7.005 -7.605 5.762 1.00 52.10 C ATOM 0 H VAL A 34 9.840 -9.343 7.199 1.00 12.52 H new ATOM 0 HA VAL A 34 7.911 -7.702 8.654 1.00 74.52 H new ATOM 0 HB VAL A 34 7.000 -9.615 6.513 1.00 33.13 H new ATOM 0 HG11 VAL A 34 4.749 -8.806 7.010 1.00 65.51 H new ATOM 0 HG12 VAL A 34 5.524 -9.646 8.374 1.00 65.51 H new ATOM 0 HG13 VAL A 34 5.405 -7.871 8.374 1.00 65.51 H new ATOM 0 HG21 VAL A 34 6.137 -7.732 5.115 1.00 52.10 H new ATOM 0 HG22 VAL A 34 7.029 -6.583 6.139 1.00 52.10 H new ATOM 0 HG23 VAL A 34 7.914 -7.804 5.194 1.00 52.10 H new ATOM 549 N LEU A 35 8.048 -10.900 7.913 1.00 41.30 N ATOM 550 CA LEU A 35 7.907 -12.310 8.173 1.00 71.40 C ATOM 551 C LEU A 35 7.727 -12.932 6.793 1.00 43.11 C ATOM 552 O LEU A 35 7.005 -12.354 5.975 1.00 14.11 O ATOM 553 CB LEU A 35 6.647 -12.631 9.001 1.00 43.21 C ATOM 554 CG LEU A 35 6.668 -12.211 10.474 1.00 14.42 C ATOM 555 CD1 LEU A 35 5.306 -12.449 11.134 1.00 72.41 C ATOM 556 CD2 LEU A 35 7.791 -12.946 11.210 1.00 33.33 C ATOM 0 H LEU A 35 8.088 -10.716 6.911 1.00 41.30 H new ATOM 0 HA LEU A 35 8.764 -12.681 8.735 1.00 71.40 H new ATOM 0 HB2 LEU A 35 5.793 -12.151 8.522 1.00 43.21 H new ATOM 0 HB3 LEU A 35 6.475 -13.706 8.956 1.00 43.21 H new ATOM 0 HG LEU A 35 6.867 -11.141 10.533 1.00 14.42 H new ATOM 0 HD11 LEU A 35 5.350 -12.142 12.179 1.00 72.41 H new ATOM 0 HD12 LEU A 35 4.544 -11.866 10.616 1.00 72.41 H new ATOM 0 HD13 LEU A 35 5.054 -13.508 11.077 1.00 72.41 H new ATOM 0 HD21 LEU A 35 7.800 -12.642 12.257 1.00 33.33 H new ATOM 0 HD22 LEU A 35 7.625 -14.021 11.146 1.00 33.33 H new ATOM 0 HD23 LEU A 35 8.749 -12.698 10.752 1.00 33.33 H new ATOM 568 N PRO A 36 8.429 -14.020 6.454 1.00 13.44 N ATOM 569 CA PRO A 36 8.083 -14.840 5.291 1.00 44.14 C ATOM 570 C PRO A 36 6.579 -15.025 5.075 1.00 34.35 C ATOM 571 O PRO A 36 5.998 -15.989 5.579 1.00 31.30 O ATOM 572 CB PRO A 36 8.695 -16.173 5.677 1.00 4.12 C ATOM 573 CG PRO A 36 9.969 -15.803 6.336 1.00 14.20 C ATOM 574 CD PRO A 36 9.676 -14.520 7.094 1.00 11.10 C ATOM 0 HA PRO A 36 8.434 -14.390 4.362 1.00 44.14 H new ATOM 0 HB2 PRO A 36 8.044 -16.731 6.350 1.00 4.12 H new ATOM 0 HB3 PRO A 36 8.865 -16.802 4.803 1.00 4.12 H new ATOM 0 HG2 PRO A 36 10.304 -16.590 7.011 1.00 14.20 H new ATOM 0 HG3 PRO A 36 10.761 -15.653 5.603 1.00 14.20 H new ATOM 0 HD2 PRO A 36 9.535 -14.705 8.159 1.00 11.10 H new ATOM 0 HD3 PRO A 36 10.491 -13.803 7.001 1.00 11.10 H new ATOM 582 N LEU A 37 5.939 -14.089 4.386 1.00 54.52 N ATOM 583 CA LEU A 37 4.606 -14.345 3.863 1.00 64.40 C ATOM 584 C LEU A 37 4.718 -15.478 2.864 1.00 21.52 C ATOM 585 O LEU A 37 4.933 -15.216 1.681 1.00 43.20 O ATOM 586 CB LEU A 37 4.060 -13.125 3.114 1.00 74.14 C ATOM 587 CG LEU A 37 3.605 -11.935 3.953 1.00 34.13 C ATOM 588 CD1 LEU A 37 2.804 -10.994 3.060 1.00 73.25 C ATOM 589 CD2 LEU A 37 2.789 -12.402 5.158 1.00 4.12 C ATOM 0 H LEU A 37 6.313 -13.163 4.180 1.00 54.52 H new ATOM 0 HA LEU A 37 3.939 -14.581 4.693 1.00 64.40 H new ATOM 0 HB2 LEU A 37 4.832 -12.778 2.427 1.00 74.14 H new ATOM 0 HB3 LEU A 37 3.216 -13.452 2.507 1.00 74.14 H new ATOM 0 HG LEU A 37 4.470 -11.402 4.348 1.00 34.13 H new ATOM 0 HD11 LEU A 37 2.470 -10.136 3.643 1.00 73.25 H new ATOM 0 HD12 LEU A 37 3.431 -10.651 2.237 1.00 73.25 H new ATOM 0 HD13 LEU A 37 1.938 -11.521 2.661 1.00 73.25 H new ATOM 0 HD21 LEU A 37 2.475 -11.537 5.742 1.00 4.12 H new ATOM 0 HD22 LEU A 37 1.909 -12.946 4.813 1.00 4.12 H new ATOM 0 HD23 LEU A 37 3.400 -13.057 5.779 1.00 4.12 H new ATOM 601 N ALA A 38 4.641 -16.701 3.260 1.00 33.31 N ATOM 602 CA ALA A 38 4.897 -17.735 2.311 1.00 35.01 C ATOM 603 C ALA A 38 3.778 -17.851 1.277 1.00 55.34 C ATOM 604 O ALA A 38 2.656 -17.376 1.450 1.00 33.13 O ATOM 605 CB ALA A 38 5.101 -19.120 3.034 1.00 43.21 C ATOM 0 H ALA A 38 4.410 -17.008 4.205 1.00 33.31 H new ATOM 0 HA ALA A 38 5.814 -17.465 1.787 1.00 35.01 H new ATOM 0 HB1 ALA A 38 5.295 -19.893 2.291 1.00 43.21 H new ATOM 0 HB2 ALA A 38 5.948 -19.053 3.717 1.00 43.21 H new ATOM 0 HB3 ALA A 38 4.202 -19.373 3.595 1.00 43.21 H new ATOM 611 N ASP A 39 4.188 -18.469 0.169 1.00 64.41 N ATOM 612 CA ASP A 39 3.412 -18.574 -1.050 1.00 4.14 C ATOM 613 C ASP A 39 3.705 -17.374 -1.979 1.00 75.51 C ATOM 614 O ASP A 39 4.118 -16.305 -1.517 1.00 4.23 O ATOM 615 CB ASP A 39 1.916 -18.705 -0.720 1.00 72.03 C ATOM 616 CG ASP A 39 1.066 -18.978 -1.941 1.00 43.04 C ATOM 617 OD1 ASP A 39 0.706 -18.017 -2.649 1.00 70.42 O ATOM 618 OD2 ASP A 39 0.787 -20.166 -2.217 1.00 55.14 O ATOM 0 H ASP A 39 5.099 -18.922 0.101 1.00 64.41 H new ATOM 0 HA ASP A 39 3.705 -19.476 -1.587 1.00 4.14 H new ATOM 0 HB2 ASP A 39 1.777 -19.511 0.001 1.00 72.03 H new ATOM 0 HB3 ASP A 39 1.573 -17.787 -0.242 1.00 72.03 H new ATOM 623 N GLY A 40 3.519 -17.584 -3.286 1.00 40.24 N ATOM 624 CA GLY A 40 3.912 -16.610 -4.299 1.00 63.33 C ATOM 625 C GLY A 40 2.947 -15.436 -4.473 1.00 71.25 C ATOM 626 O GLY A 40 3.369 -14.366 -4.912 1.00 24.24 O ATOM 0 H GLY A 40 3.094 -18.430 -3.666 1.00 40.24 H new ATOM 0 HA2 GLY A 40 4.896 -16.218 -4.042 1.00 63.33 H new ATOM 0 HA3 GLY A 40 4.013 -17.123 -5.255 1.00 63.33 H new ATOM 630 N VAL A 41 1.662 -15.595 -4.177 1.00 75.02 N ATOM 631 CA VAL A 41 0.723 -14.483 -4.360 1.00 0.01 C ATOM 632 C VAL A 41 0.852 -13.478 -3.210 1.00 75.14 C ATOM 633 O VAL A 41 0.931 -12.274 -3.429 1.00 12.40 O ATOM 634 CB VAL A 41 -0.752 -14.978 -4.443 1.00 62.15 C ATOM 635 CG1 VAL A 41 -0.948 -16.147 -5.505 1.00 12.42 C ATOM 636 CG2 VAL A 41 -1.289 -15.405 -3.088 1.00 1.35 C ATOM 0 H VAL A 41 1.250 -16.456 -3.819 1.00 75.02 H new ATOM 0 HA VAL A 41 0.978 -14.001 -5.304 1.00 0.01 H new ATOM 0 HB VAL A 41 -1.330 -14.120 -4.785 1.00 62.15 H new ATOM 0 HG11 VAL A 41 -1.994 -16.453 -5.521 1.00 12.42 H new ATOM 0 HG12 VAL A 41 -0.659 -15.792 -6.494 1.00 12.42 H new ATOM 0 HG13 VAL A 41 -0.325 -16.998 -5.228 1.00 12.42 H new ATOM 0 HG21 VAL A 41 -2.320 -15.742 -3.195 1.00 1.35 H new ATOM 0 HG22 VAL A 41 -0.680 -16.219 -2.695 1.00 1.35 H new ATOM 0 HG23 VAL A 41 -1.253 -14.560 -2.400 1.00 1.35 H new ATOM 646 N LEU A 42 0.924 -13.995 -1.966 1.00 14.34 N ATOM 647 CA LEU A 42 0.993 -13.153 -0.756 1.00 32.33 C ATOM 648 C LEU A 42 2.256 -12.313 -0.770 1.00 31.03 C ATOM 649 O LEU A 42 2.234 -11.101 -0.542 1.00 11.44 O ATOM 650 CB LEU A 42 0.984 -14.044 0.493 1.00 73.11 C ATOM 651 CG LEU A 42 -0.291 -14.870 0.688 1.00 24.22 C ATOM 652 CD1 LEU A 42 -0.115 -15.876 1.828 1.00 55.14 C ATOM 653 CD2 LEU A 42 -1.471 -13.938 0.936 1.00 23.11 C ATOM 0 H LEU A 42 0.936 -14.997 -1.774 1.00 14.34 H new ATOM 0 HA LEU A 42 0.128 -12.490 -0.739 1.00 32.33 H new ATOM 0 HB2 LEU A 42 1.835 -14.723 0.443 1.00 73.11 H new ATOM 0 HB3 LEU A 42 1.130 -13.415 1.371 1.00 73.11 H new ATOM 0 HG LEU A 42 -0.492 -15.443 -0.217 1.00 24.22 H new ATOM 0 HD11 LEU A 42 -1.032 -16.452 1.950 1.00 55.14 H new ATOM 0 HD12 LEU A 42 0.709 -16.550 1.594 1.00 55.14 H new ATOM 0 HD13 LEU A 42 0.104 -15.343 2.753 1.00 55.14 H new ATOM 0 HD21 LEU A 42 -2.377 -14.527 1.075 1.00 23.11 H new ATOM 0 HD22 LEU A 42 -1.284 -13.344 1.831 1.00 23.11 H new ATOM 0 HD23 LEU A 42 -1.597 -13.275 0.080 1.00 23.11 H new ATOM 665 N SER A 43 3.365 -12.978 -1.051 1.00 53.32 N ATOM 666 CA SER A 43 4.662 -12.330 -1.036 1.00 52.22 C ATOM 667 C SER A 43 4.756 -11.284 -2.146 1.00 42.30 C ATOM 668 O SER A 43 5.420 -10.257 -1.984 1.00 75.22 O ATOM 669 CB SER A 43 5.779 -13.374 -1.157 1.00 43.11 C ATOM 670 OG SER A 43 7.055 -12.786 -0.963 1.00 2.04 O ATOM 0 H SER A 43 3.390 -13.969 -1.293 1.00 53.32 H new ATOM 0 HA SER A 43 4.784 -11.813 -0.084 1.00 52.22 H new ATOM 0 HB2 SER A 43 5.624 -14.163 -0.421 1.00 43.11 H new ATOM 0 HB3 SER A 43 5.737 -13.842 -2.140 1.00 43.11 H new ATOM 0 HG SER A 43 7.748 -13.474 -1.044 1.00 2.04 H new ATOM 676 N PHE A 44 4.072 -11.523 -3.258 1.00 62.12 N ATOM 677 CA PHE A 44 4.089 -10.582 -4.368 1.00 20.14 C ATOM 678 C PHE A 44 3.255 -9.344 -4.040 1.00 45.33 C ATOM 679 O PHE A 44 3.710 -8.227 -4.277 1.00 64.33 O ATOM 680 CB PHE A 44 3.637 -11.289 -5.655 1.00 71.22 C ATOM 681 CG PHE A 44 3.108 -10.386 -6.742 1.00 51.14 C ATOM 682 CD1 PHE A 44 3.970 -9.676 -7.568 1.00 40.41 C ATOM 683 CD2 PHE A 44 1.743 -10.268 -6.951 1.00 12.20 C ATOM 684 CE1 PHE A 44 3.475 -8.867 -8.574 1.00 53.43 C ATOM 685 CE2 PHE A 44 1.243 -9.461 -7.953 1.00 33.02 C ATOM 686 CZ PHE A 44 2.111 -8.762 -8.767 1.00 33.42 C ATOM 0 H PHE A 44 3.503 -12.355 -3.414 1.00 62.12 H new ATOM 0 HA PHE A 44 5.106 -10.228 -4.535 1.00 20.14 H new ATOM 0 HB2 PHE A 44 4.480 -11.853 -6.054 1.00 71.22 H new ATOM 0 HB3 PHE A 44 2.863 -12.012 -5.399 1.00 71.22 H new ATOM 0 HD1 PHE A 44 5.037 -9.757 -7.423 1.00 40.41 H new ATOM 0 HD2 PHE A 44 1.060 -10.816 -6.320 1.00 12.20 H new ATOM 0 HE1 PHE A 44 4.154 -8.317 -9.209 1.00 53.43 H new ATOM 0 HE2 PHE A 44 0.176 -9.377 -8.099 1.00 33.02 H new ATOM 0 HZ PHE A 44 1.724 -8.133 -9.555 1.00 33.42 H new ATOM 696 N ILE A 45 2.054 -9.523 -3.475 1.00 74.12 N ATOM 697 CA ILE A 45 1.271 -8.359 -3.033 1.00 42.11 C ATOM 698 C ILE A 45 2.060 -7.585 -1.999 1.00 5.22 C ATOM 699 O ILE A 45 2.001 -6.366 -1.942 1.00 73.53 O ATOM 700 CB ILE A 45 -0.129 -8.692 -2.466 1.00 75.32 C ATOM 701 CG1 ILE A 45 -0.687 -9.878 -3.211 1.00 73.44 C ATOM 702 CG2 ILE A 45 -1.048 -7.437 -2.676 1.00 42.43 C ATOM 703 CD1 ILE A 45 -0.817 -9.690 -4.723 1.00 11.41 C ATOM 0 H ILE A 45 1.614 -10.429 -3.316 1.00 74.12 H new ATOM 0 HA ILE A 45 1.093 -7.766 -3.930 1.00 42.11 H new ATOM 0 HB ILE A 45 -0.075 -8.935 -1.405 1.00 75.32 H new ATOM 0 HG12 ILE A 45 -0.048 -10.740 -3.021 1.00 73.44 H new ATOM 0 HG13 ILE A 45 -1.670 -10.114 -2.804 1.00 73.44 H new ATOM 0 HG21 ILE A 45 -2.044 -7.645 -2.284 1.00 42.43 H new ATOM 0 HG22 ILE A 45 -0.622 -6.582 -2.150 1.00 42.43 H new ATOM 0 HG23 ILE A 45 -1.117 -7.211 -3.740 1.00 42.43 H new ATOM 0 HD11 ILE A 45 -1.227 -10.596 -5.168 1.00 11.41 H new ATOM 0 HD12 ILE A 45 -1.482 -8.851 -4.930 1.00 11.41 H new ATOM 0 HD13 ILE A 45 0.165 -9.488 -5.150 1.00 11.41 H new ATOM 715 N HIS A 46 2.808 -8.321 -1.199 1.00 1.05 N ATOM 716 CA HIS A 46 3.718 -7.759 -0.203 1.00 44.35 C ATOM 717 C HIS A 46 4.791 -6.889 -0.883 1.00 32.00 C ATOM 718 O HIS A 46 5.065 -5.775 -0.435 1.00 42.02 O ATOM 719 CB HIS A 46 4.303 -8.953 0.579 1.00 35.34 C ATOM 720 CG HIS A 46 5.496 -8.714 1.449 1.00 1.05 C ATOM 721 ND1 HIS A 46 6.231 -9.761 1.968 1.00 13.43 N ATOM 722 CD2 HIS A 46 6.078 -7.587 1.914 1.00 51.21 C ATOM 723 CE1 HIS A 46 7.204 -9.291 2.711 1.00 51.30 C ATOM 724 NE2 HIS A 46 7.136 -7.978 2.693 1.00 52.33 N ATOM 0 H HIS A 46 2.805 -9.341 -1.218 1.00 1.05 H new ATOM 0 HA HIS A 46 3.208 -7.091 0.491 1.00 44.35 H new ATOM 0 HB2 HIS A 46 3.510 -9.360 1.206 1.00 35.34 H new ATOM 0 HB3 HIS A 46 4.567 -9.726 -0.143 1.00 35.34 H new ATOM 0 HD2 HIS A 46 5.769 -6.572 1.711 1.00 51.21 H new ATOM 0 HE1 HIS A 46 7.935 -9.880 3.245 1.00 51.30 H new ATOM 0 HE2 HIS A 46 7.772 -7.348 3.183 1.00 52.33 H new ATOM 733 N HIS A 47 5.377 -7.395 -1.966 1.00 10.22 N ATOM 734 CA HIS A 47 6.310 -6.620 -2.796 1.00 53.21 C ATOM 735 C HIS A 47 5.637 -5.357 -3.337 1.00 22.35 C ATOM 736 O HIS A 47 6.168 -4.256 -3.183 1.00 60.45 O ATOM 737 CB HIS A 47 6.846 -7.502 -3.949 1.00 71.54 C ATOM 738 CG HIS A 47 7.715 -6.776 -4.944 1.00 11.34 C ATOM 739 ND1 HIS A 47 8.948 -7.249 -5.337 1.00 3.24 N ATOM 740 CD2 HIS A 47 7.540 -5.606 -5.609 1.00 41.11 C ATOM 741 CE1 HIS A 47 9.494 -6.395 -6.186 1.00 64.44 C ATOM 742 NE2 HIS A 47 8.658 -5.394 -6.367 1.00 54.14 N ATOM 0 H HIS A 47 5.223 -8.348 -2.296 1.00 10.22 H new ATOM 0 HA HIS A 47 7.152 -6.306 -2.179 1.00 53.21 H new ATOM 0 HB2 HIS A 47 7.417 -8.327 -3.522 1.00 71.54 H new ATOM 0 HB3 HIS A 47 5.999 -7.940 -4.478 1.00 71.54 H new ATOM 0 HD1 HIS A 47 9.373 -8.121 -5.022 1.00 3.24 H new ATOM 0 HD2 HIS A 47 6.676 -4.961 -5.550 1.00 41.11 H new ATOM 0 HE1 HIS A 47 10.462 -6.501 -6.652 1.00 64.44 H new ATOM 751 N GLN A 48 4.487 -5.520 -3.980 1.00 51.20 N ATOM 752 CA GLN A 48 3.726 -4.386 -4.499 1.00 40.12 C ATOM 753 C GLN A 48 3.496 -3.352 -3.381 1.00 34.44 C ATOM 754 O GLN A 48 3.905 -2.210 -3.517 1.00 75.20 O ATOM 755 CB GLN A 48 2.387 -4.872 -5.087 1.00 74.04 C ATOM 756 CG GLN A 48 2.542 -6.038 -6.061 1.00 34.35 C ATOM 757 CD GLN A 48 3.466 -5.717 -7.224 1.00 11.02 C ATOM 758 OE1 GLN A 48 4.684 -5.887 -7.137 1.00 22.50 O ATOM 759 NE2 GLN A 48 2.887 -5.292 -8.333 1.00 63.03 N ATOM 0 H GLN A 48 4.058 -6.429 -4.156 1.00 51.20 H new ATOM 0 HA GLN A 48 4.293 -3.907 -5.297 1.00 40.12 H new ATOM 0 HB2 GLN A 48 1.729 -5.173 -4.272 1.00 74.04 H new ATOM 0 HB3 GLN A 48 1.901 -4.042 -5.599 1.00 74.04 H new ATOM 0 HG2 GLN A 48 2.929 -6.904 -5.524 1.00 34.35 H new ATOM 0 HG3 GLN A 48 1.561 -6.315 -6.448 1.00 34.35 H new ATOM 0 HE21 GLN A 48 1.875 -5.164 -8.364 1.00 63.03 H new ATOM 0 HE22 GLN A 48 3.452 -5.092 -9.159 1.00 63.03 H new ATOM 768 N ILE A 49 2.885 -3.787 -2.256 1.00 4.00 N ATOM 769 CA ILE A 49 2.573 -2.914 -1.091 1.00 23.53 C ATOM 770 C ILE A 49 3.838 -2.113 -0.708 1.00 70.21 C ATOM 771 O ILE A 49 3.803 -0.897 -0.682 1.00 23.45 O ATOM 772 CB ILE A 49 2.002 -3.807 0.157 1.00 53.44 C ATOM 773 CG1 ILE A 49 0.758 -4.468 -0.108 1.00 62.05 C ATOM 774 CG2 ILE A 49 1.878 -2.943 1.165 1.00 32.13 C ATOM 775 CD1 ILE A 49 0.411 -5.350 1.155 1.00 31.15 C ATOM 0 H ILE A 49 2.592 -4.755 -2.126 1.00 4.00 H new ATOM 0 HA ILE A 49 1.788 -2.205 -1.354 1.00 23.53 H new ATOM 0 HB ILE A 49 2.688 -4.627 0.371 1.00 53.44 H new ATOM 0 HG12 ILE A 49 -0.031 -3.740 -0.295 1.00 62.05 H new ATOM 0 HG13 ILE A 49 0.836 -5.090 -1.000 1.00 62.05 H new ATOM 0 HG21 ILE A 49 1.499 -3.463 2.045 1.00 32.13 H new ATOM 0 HG22 ILE A 49 2.851 -2.507 1.392 1.00 32.13 H new ATOM 0 HG23 ILE A 49 1.183 -2.152 0.883 1.00 32.13 H new ATOM 0 HD11 ILE A 49 -0.533 -5.869 0.988 1.00 31.15 H new ATOM 0 HD12 ILE A 49 1.203 -6.081 1.317 1.00 31.15 H new ATOM 0 HD13 ILE A 49 0.323 -4.710 2.033 1.00 31.15 H new ATOM 787 N ILE A 50 4.942 -2.797 -0.382 1.00 50.34 N ATOM 788 CA ILE A 50 6.128 -2.099 0.147 1.00 63.12 C ATOM 789 C ILE A 50 6.759 -1.189 -0.900 1.00 34.11 C ATOM 790 O ILE A 50 7.124 -0.055 -0.635 1.00 71.12 O ATOM 791 CB ILE A 50 7.166 -3.084 0.714 1.00 60.33 C ATOM 792 CG1 ILE A 50 6.553 -4.050 1.633 1.00 71.41 C ATOM 793 CG2 ILE A 50 8.209 -2.307 1.513 1.00 73.51 C ATOM 794 CD1 ILE A 50 5.829 -3.330 2.786 1.00 30.14 C ATOM 0 H ILE A 50 5.042 -3.808 -0.471 1.00 50.34 H new ATOM 0 HA ILE A 50 5.783 -1.472 0.969 1.00 63.12 H new ATOM 0 HB ILE A 50 7.608 -3.614 -0.130 1.00 60.33 H new ATOM 0 HG12 ILE A 50 5.846 -4.677 1.089 1.00 71.41 H new ATOM 0 HG13 ILE A 50 7.320 -4.711 2.037 1.00 71.41 H new ATOM 0 HG21 ILE A 50 8.947 -2.999 1.917 1.00 73.51 H new ATOM 0 HG22 ILE A 50 8.705 -1.588 0.861 1.00 73.51 H new ATOM 0 HG23 ILE A 50 7.721 -1.778 2.332 1.00 73.51 H new ATOM 0 HD11 ILE A 50 5.383 -4.068 3.453 1.00 30.14 H new ATOM 0 HD12 ILE A 50 6.544 -2.723 3.342 1.00 30.14 H new ATOM 0 HD13 ILE A 50 5.047 -2.688 2.380 1.00 30.14 H new ATOM 806 N GLU A 51 6.865 -1.689 -2.124 1.00 1.22 N ATOM 807 CA GLU A 51 7.522 -0.948 -3.191 1.00 40.32 C ATOM 808 C GLU A 51 6.689 0.271 -3.577 1.00 1.33 C ATOM 809 O GLU A 51 7.226 1.342 -3.870 1.00 71.54 O ATOM 810 CB GLU A 51 7.712 -1.860 -4.388 1.00 54.44 C ATOM 811 CG GLU A 51 8.485 -1.221 -5.522 1.00 40.51 C ATOM 812 CD GLU A 51 8.684 -2.180 -6.680 1.00 1.24 C ATOM 813 OE1 GLU A 51 7.692 -2.503 -7.362 1.00 63.12 O ATOM 814 OE2 GLU A 51 9.819 -2.654 -6.891 1.00 60.44 O ATOM 0 H GLU A 51 6.505 -2.602 -2.402 1.00 1.22 H new ATOM 0 HA GLU A 51 8.496 -0.600 -2.846 1.00 40.32 H new ATOM 0 HB2 GLU A 51 8.233 -2.762 -4.067 1.00 54.44 H new ATOM 0 HB3 GLU A 51 6.734 -2.171 -4.756 1.00 54.44 H new ATOM 0 HG2 GLU A 51 7.953 -0.336 -5.871 1.00 40.51 H new ATOM 0 HG3 GLU A 51 9.456 -0.886 -5.157 1.00 40.51 H new ATOM 821 N LEU A 52 5.365 0.089 -3.569 1.00 34.53 N ATOM 822 CA LEU A 52 4.429 1.166 -3.905 1.00 50.03 C ATOM 823 C LEU A 52 4.310 2.115 -2.725 1.00 20.32 C ATOM 824 O LEU A 52 4.285 3.307 -2.924 1.00 2.35 O ATOM 825 CB LEU A 52 3.041 0.632 -4.273 1.00 42.33 C ATOM 826 CG LEU A 52 2.954 -0.247 -5.537 1.00 33.24 C ATOM 827 CD1 LEU A 52 1.576 -0.909 -5.635 1.00 1.15 C ATOM 828 CD2 LEU A 52 3.268 0.555 -6.808 1.00 42.31 C ATOM 0 H LEU A 52 4.917 -0.796 -3.333 1.00 34.53 H new ATOM 0 HA LEU A 52 4.823 1.688 -4.777 1.00 50.03 H new ATOM 0 HB2 LEU A 52 2.663 0.054 -3.429 1.00 42.33 H new ATOM 0 HB3 LEU A 52 2.372 1.483 -4.402 1.00 42.33 H new ATOM 0 HG LEU A 52 3.709 -1.028 -5.452 1.00 33.24 H new ATOM 0 HD11 LEU A 52 1.532 -1.526 -6.533 1.00 1.15 H new ATOM 0 HD12 LEU A 52 1.409 -1.533 -4.757 1.00 1.15 H new ATOM 0 HD13 LEU A 52 0.805 -0.140 -5.685 1.00 1.15 H new ATOM 0 HD21 LEU A 52 3.197 -0.098 -7.677 1.00 42.31 H new ATOM 0 HD22 LEU A 52 2.554 1.372 -6.908 1.00 42.31 H new ATOM 0 HD23 LEU A 52 4.277 0.962 -6.742 1.00 42.31 H new ATOM 840 N ALA A 53 4.359 1.591 -1.511 1.00 42.32 N ATOM 841 CA ALA A 53 4.334 2.494 -0.372 1.00 44.24 C ATOM 842 C ALA A 53 5.520 3.415 -0.487 1.00 62.11 C ATOM 843 O ALA A 53 5.421 4.568 -0.132 1.00 54.14 O ATOM 844 CB ALA A 53 4.450 1.735 0.944 1.00 14.12 C ATOM 0 H ALA A 53 4.414 0.596 -1.293 1.00 42.32 H new ATOM 0 HA ALA A 53 3.390 3.038 -0.376 1.00 44.24 H new ATOM 0 HB1 ALA A 53 4.428 2.441 1.774 1.00 14.12 H new ATOM 0 HB2 ALA A 53 3.616 1.039 1.037 1.00 14.12 H new ATOM 0 HB3 ALA A 53 5.389 1.181 0.963 1.00 14.12 H new ATOM 850 N ARG A 54 6.668 2.833 -0.878 1.00 13.32 N ATOM 851 CA ARG A 54 7.926 3.569 -0.982 1.00 71.10 C ATOM 852 C ARG A 54 7.831 4.605 -2.079 1.00 40.32 C ATOM 853 O ARG A 54 8.223 5.759 -1.887 1.00 45.14 O ATOM 854 CB ARG A 54 9.063 2.605 -1.275 1.00 55.23 C ATOM 855 CG ARG A 54 9.400 1.714 -0.094 1.00 64.13 C ATOM 856 CD ARG A 54 10.215 2.477 0.938 1.00 11.04 C ATOM 857 NE ARG A 54 11.245 1.640 1.507 1.00 14.44 N ATOM 858 CZ ARG A 54 12.482 1.635 1.072 1.00 32.21 C ATOM 859 NH1 ARG A 54 12.819 2.433 0.062 1.00 3.44 N ATOM 860 NH2 ARG A 54 13.359 0.816 1.614 1.00 51.40 N ATOM 0 H ARG A 54 6.743 1.847 -1.127 1.00 13.32 H new ATOM 0 HA ARG A 54 8.122 4.075 -0.036 1.00 71.10 H new ATOM 0 HB2 ARG A 54 8.794 1.982 -2.128 1.00 55.23 H new ATOM 0 HB3 ARG A 54 9.949 3.172 -1.561 1.00 55.23 H new ATOM 0 HG2 ARG A 54 8.482 1.343 0.362 1.00 64.13 H new ATOM 0 HG3 ARG A 54 9.960 0.844 -0.436 1.00 64.13 H new ATOM 0 HD2 ARG A 54 10.669 3.352 0.473 1.00 11.04 H new ATOM 0 HD3 ARG A 54 9.559 2.840 1.729 1.00 11.04 H new ATOM 0 HE ARG A 54 10.999 1.025 2.283 1.00 14.44 H new ATOM 0 HH11 ARG A 54 12.118 3.039 -0.365 1.00 3.44 H new ATOM 0 HH12 ARG A 54 13.778 2.438 -0.286 1.00 3.44 H new ATOM 0 HH21 ARG A 54 13.075 0.190 2.368 1.00 51.40 H new ATOM 0 HH22 ARG A 54 14.323 0.807 1.280 1.00 51.40 H new ATOM 874 N ASP A 55 7.325 4.207 -3.243 1.00 72.43 N ATOM 875 CA ASP A 55 7.186 5.155 -4.345 1.00 3.31 C ATOM 876 C ASP A 55 6.248 6.278 -3.936 1.00 0.10 C ATOM 877 O ASP A 55 6.488 7.423 -4.267 1.00 22.33 O ATOM 878 CB ASP A 55 6.686 4.505 -5.640 1.00 1.34 C ATOM 879 CG ASP A 55 6.626 5.522 -6.782 1.00 62.23 C ATOM 880 OD1 ASP A 55 7.698 5.965 -7.254 1.00 63.01 O ATOM 881 OD2 ASP A 55 5.512 5.907 -7.199 1.00 61.41 O ATOM 0 H ASP A 55 7.011 3.258 -3.446 1.00 72.43 H new ATOM 0 HA ASP A 55 8.181 5.547 -4.555 1.00 3.31 H new ATOM 0 HB2 ASP A 55 7.346 3.683 -5.916 1.00 1.34 H new ATOM 0 HB3 ASP A 55 5.696 4.078 -5.477 1.00 1.34 H new ATOM 886 N CYS A 56 5.192 5.933 -3.196 1.00 54.53 N ATOM 887 CA CYS A 56 4.262 6.920 -2.635 1.00 3.33 C ATOM 888 C CYS A 56 4.983 7.813 -1.633 1.00 31.22 C ATOM 889 O CYS A 56 4.809 9.023 -1.629 1.00 73.24 O ATOM 890 CB CYS A 56 3.084 6.222 -1.939 1.00 3.22 C ATOM 891 SG CYS A 56 2.090 5.170 -3.023 1.00 40.43 S ATOM 0 H CYS A 56 4.957 4.967 -2.969 1.00 54.53 H new ATOM 0 HA CYS A 56 3.880 7.528 -3.455 1.00 3.33 H new ATOM 0 HB2 CYS A 56 3.470 5.616 -1.119 1.00 3.22 H new ATOM 0 HB3 CYS A 56 2.438 6.981 -1.498 1.00 3.22 H new ATOM 0 HG CYS A 56 2.745 4.079 -3.288 1.00 40.43 H new ATOM 897 N LEU A 57 5.794 7.199 -0.794 1.00 14.04 N ATOM 898 CA LEU A 57 6.584 7.907 0.204 1.00 3.30 C ATOM 899 C LEU A 57 7.526 8.916 -0.472 1.00 74.21 C ATOM 900 O LEU A 57 7.767 10.013 0.036 1.00 15.42 O ATOM 901 CB LEU A 57 7.375 6.872 1.011 1.00 63.42 C ATOM 902 CG LEU A 57 8.127 7.398 2.238 1.00 65.33 C ATOM 903 CD1 LEU A 57 7.171 8.101 3.195 1.00 74.11 C ATOM 904 CD2 LEU A 57 8.848 6.260 2.955 1.00 21.43 C ATOM 0 H LEU A 57 5.927 6.188 -0.783 1.00 14.04 H new ATOM 0 HA LEU A 57 5.930 8.470 0.871 1.00 3.30 H new ATOM 0 HB2 LEU A 57 6.685 6.095 1.340 1.00 63.42 H new ATOM 0 HB3 LEU A 57 8.096 6.398 0.345 1.00 63.42 H new ATOM 0 HG LEU A 57 8.869 8.120 1.897 1.00 65.33 H new ATOM 0 HD11 LEU A 57 7.725 8.467 4.059 1.00 74.11 H new ATOM 0 HD12 LEU A 57 6.698 8.940 2.685 1.00 74.11 H new ATOM 0 HD13 LEU A 57 6.405 7.399 3.525 1.00 74.11 H new ATOM 0 HD21 LEU A 57 9.376 6.654 3.823 1.00 21.43 H new ATOM 0 HD22 LEU A 57 8.121 5.516 3.279 1.00 21.43 H new ATOM 0 HD23 LEU A 57 9.563 5.797 2.275 1.00 21.43 H new ATOM 916 N THR A 58 8.035 8.527 -1.635 1.00 51.32 N ATOM 917 CA THR A 58 8.930 9.368 -2.431 1.00 22.13 C ATOM 918 C THR A 58 8.130 10.323 -3.337 1.00 11.34 C ATOM 919 O THR A 58 8.628 11.373 -3.750 1.00 70.23 O ATOM 920 CB THR A 58 9.849 8.475 -3.296 1.00 54.24 C ATOM 921 OG1 THR A 58 10.433 7.444 -2.478 1.00 1.13 O ATOM 922 CG2 THR A 58 10.956 9.290 -3.948 1.00 11.13 C ATOM 0 H THR A 58 7.840 7.619 -2.056 1.00 51.32 H new ATOM 0 HA THR A 58 9.535 9.968 -1.751 1.00 22.13 H new ATOM 0 HB THR A 58 9.242 8.028 -4.083 1.00 54.24 H new ATOM 0 HG1 THR A 58 9.750 6.777 -2.256 1.00 1.13 H new ATOM 0 HG21 THR A 58 11.585 8.634 -4.549 1.00 11.13 H new ATOM 0 HG22 THR A 58 10.516 10.056 -4.587 1.00 11.13 H new ATOM 0 HG23 THR A 58 11.561 9.765 -3.176 1.00 11.13 H new ATOM 930 N LYS A 59 6.894 9.924 -3.638 1.00 61.23 N ATOM 931 CA LYS A 59 5.978 10.662 -4.521 1.00 55.15 C ATOM 932 C LYS A 59 5.254 11.796 -3.768 1.00 22.43 C ATOM 933 O LYS A 59 4.944 12.841 -4.338 1.00 30.33 O ATOM 934 CB LYS A 59 4.949 9.672 -5.098 1.00 64.22 C ATOM 935 CG LYS A 59 4.062 10.238 -6.199 1.00 4.54 C ATOM 936 CD LYS A 59 4.877 10.699 -7.403 1.00 62.04 C ATOM 937 CE LYS A 59 5.419 9.526 -8.223 1.00 72.10 C ATOM 938 NZ LYS A 59 6.327 8.644 -7.436 1.00 33.44 N ATOM 0 H LYS A 59 6.490 9.063 -3.270 1.00 61.23 H new ATOM 0 HA LYS A 59 6.556 11.121 -5.323 1.00 55.15 H new ATOM 0 HB2 LYS A 59 5.481 8.805 -5.490 1.00 64.22 H new ATOM 0 HB3 LYS A 59 4.314 9.317 -4.287 1.00 64.22 H new ATOM 0 HG2 LYS A 59 3.345 9.480 -6.514 1.00 4.54 H new ATOM 0 HG3 LYS A 59 3.487 11.077 -5.807 1.00 4.54 H new ATOM 0 HD2 LYS A 59 4.255 11.328 -8.040 1.00 62.04 H new ATOM 0 HD3 LYS A 59 5.709 11.315 -7.061 1.00 62.04 H new ATOM 0 HE2 LYS A 59 4.584 8.936 -8.601 1.00 72.10 H new ATOM 0 HE3 LYS A 59 5.955 9.911 -9.090 1.00 72.10 H new ATOM 0 HZ1 LYS A 59 7.092 8.297 -8.050 1.00 33.44 H new ATOM 0 HZ2 LYS A 59 6.735 9.183 -6.646 1.00 33.44 H new ATOM 0 HZ3 LYS A 59 5.789 7.836 -7.063 1.00 33.44 H new ATOM 952 N SER A 60 4.987 11.553 -2.480 1.00 15.31 N ATOM 953 CA SER A 60 4.317 12.513 -1.569 1.00 21.31 C ATOM 954 C SER A 60 5.128 13.790 -1.413 1.00 40.43 C ATOM 955 O SER A 60 4.620 14.852 -1.047 1.00 0.22 O ATOM 956 CB SER A 60 4.166 11.885 -0.173 1.00 2.01 C ATOM 957 OG SER A 60 3.294 10.774 -0.195 1.00 62.14 O ATOM 0 H SER A 60 5.231 10.673 -2.026 1.00 15.31 H new ATOM 0 HA SER A 60 3.345 12.749 -2.003 1.00 21.31 H new ATOM 0 HB2 SER A 60 5.144 11.574 0.194 1.00 2.01 H new ATOM 0 HB3 SER A 60 3.787 12.632 0.524 1.00 2.01 H new ATOM 0 HG SER A 60 3.644 10.095 -0.809 1.00 62.14 H new ATOM 963 N ARG A 61 6.381 13.653 -1.739 1.00 53.44 N ATOM 964 CA ARG A 61 7.442 14.493 -1.244 1.00 41.11 C ATOM 965 C ARG A 61 7.430 15.935 -1.813 1.00 23.31 C ATOM 966 O ARG A 61 8.268 16.254 -2.653 1.00 1.20 O ATOM 967 CB ARG A 61 8.735 13.766 -1.600 1.00 41.11 C ATOM 968 CG ARG A 61 9.942 14.263 -0.845 1.00 24.34 C ATOM 969 CD ARG A 61 11.034 13.202 -0.759 1.00 35.31 C ATOM 970 NE ARG A 61 11.251 12.538 -2.048 1.00 25.12 N ATOM 971 CZ ARG A 61 12.217 12.887 -2.898 1.00 31.24 C ATOM 972 NH1 ARG A 61 13.068 13.842 -2.566 1.00 22.11 N ATOM 973 NH2 ARG A 61 12.255 12.358 -4.115 1.00 11.11 N ATOM 0 H ARG A 61 6.707 12.929 -2.379 1.00 53.44 H new ATOM 0 HA ARG A 61 7.324 14.640 -0.170 1.00 41.11 H new ATOM 0 HB2 ARG A 61 8.608 12.702 -1.403 1.00 41.11 H new ATOM 0 HB3 ARG A 61 8.918 13.873 -2.669 1.00 41.11 H new ATOM 0 HG2 ARG A 61 10.337 15.152 -1.336 1.00 24.34 H new ATOM 0 HG3 ARG A 61 9.644 14.560 0.161 1.00 24.34 H new ATOM 0 HD2 ARG A 61 11.964 13.664 -0.427 1.00 35.31 H new ATOM 0 HD3 ARG A 61 10.761 12.460 -0.009 1.00 35.31 H new ATOM 0 HE ARG A 61 10.632 11.770 -2.308 1.00 25.12 H new ATOM 0 HH11 ARG A 61 12.984 14.309 -1.663 1.00 22.11 H new ATOM 0 HH12 ARG A 61 13.809 14.113 -3.213 1.00 22.11 H new ATOM 0 HH21 ARG A 61 11.545 11.684 -4.400 1.00 11.11 H new ATOM 0 HH22 ARG A 61 12.994 12.626 -4.765 1.00 11.11 H new ATOM 987 N ASP A 62 6.488 16.786 -1.327 1.00 51.31 N ATOM 988 CA ASP A 62 6.329 18.216 -1.757 1.00 23.14 C ATOM 989 C ASP A 62 4.858 18.584 -1.807 1.00 61.33 C ATOM 990 O ASP A 62 4.455 19.707 -1.491 1.00 0.20 O ATOM 991 CB ASP A 62 6.881 18.507 -3.173 1.00 71.33 C ATOM 992 CG ASP A 62 6.618 19.946 -3.641 1.00 64.23 C ATOM 993 OD1 ASP A 62 7.442 20.843 -3.353 1.00 0.41 O ATOM 994 OD2 ASP A 62 5.593 20.186 -4.321 1.00 53.21 O ATOM 0 H ASP A 62 5.809 16.504 -0.620 1.00 51.31 H new ATOM 0 HA ASP A 62 6.891 18.794 -1.024 1.00 23.14 H new ATOM 0 HB2 ASP A 62 7.955 18.319 -3.183 1.00 71.33 H new ATOM 0 HB3 ASP A 62 6.429 17.813 -3.882 1.00 71.33 H new ATOM 999 N GLY A 63 4.073 17.612 -2.218 1.00 62.32 N ATOM 1000 CA GLY A 63 2.755 17.877 -2.769 1.00 44.11 C ATOM 1001 C GLY A 63 2.878 17.805 -4.273 1.00 14.10 C ATOM 1002 O GLY A 63 2.283 18.567 -5.038 1.00 61.24 O ATOM 0 H GLY A 63 4.324 16.624 -2.182 1.00 62.32 H new ATOM 0 HA2 GLY A 63 2.032 17.146 -2.406 1.00 44.11 H new ATOM 0 HA3 GLY A 63 2.398 18.859 -2.459 1.00 44.11 H new ATOM 1006 N LEU A 64 3.696 16.837 -4.637 1.00 11.41 N ATOM 1007 CA LEU A 64 4.241 16.608 -5.968 1.00 30.13 C ATOM 1008 C LEU A 64 3.225 15.866 -6.841 1.00 63.23 C ATOM 1009 O LEU A 64 3.310 15.879 -8.071 1.00 54.33 O ATOM 1010 CB LEU A 64 5.504 15.760 -5.681 1.00 74.22 C ATOM 1011 CG LEU A 64 6.507 15.420 -6.806 1.00 35.11 C ATOM 1012 CD1 LEU A 64 7.710 14.682 -6.194 1.00 24.43 C ATOM 1013 CD2 LEU A 64 5.883 14.570 -7.917 1.00 11.33 C ATOM 0 H LEU A 64 4.022 16.140 -3.967 1.00 11.41 H new ATOM 0 HA LEU A 64 4.472 17.520 -6.519 1.00 30.13 H new ATOM 0 HB2 LEU A 64 6.063 16.275 -4.900 1.00 74.22 H new ATOM 0 HB3 LEU A 64 5.164 14.814 -5.260 1.00 74.22 H new ATOM 0 HG LEU A 64 6.823 16.356 -7.266 1.00 35.11 H new ATOM 0 HD11 LEU A 64 8.425 14.437 -6.980 1.00 24.43 H new ATOM 0 HD12 LEU A 64 8.190 15.321 -5.453 1.00 24.43 H new ATOM 0 HD13 LEU A 64 7.369 13.764 -5.715 1.00 24.43 H new ATOM 0 HD21 LEU A 64 6.633 14.361 -8.680 1.00 11.33 H new ATOM 0 HD22 LEU A 64 5.522 13.631 -7.497 1.00 11.33 H new ATOM 0 HD23 LEU A 64 5.050 15.112 -8.365 1.00 11.33 H new ATOM 1025 N ILE A 65 2.228 15.276 -6.172 1.00 24.44 N ATOM 1026 CA ILE A 65 1.431 14.160 -6.780 1.00 34.02 C ATOM 1027 C ILE A 65 0.490 14.610 -7.873 1.00 1.34 C ATOM 1028 O ILE A 65 -0.358 15.481 -7.674 1.00 23.44 O ATOM 1029 CB ILE A 65 0.621 13.259 -5.717 1.00 71.10 C ATOM 1030 CG1 ILE A 65 1.639 13.072 -4.557 1.00 55.31 C ATOM 1031 CG2 ILE A 65 0.152 11.832 -6.286 1.00 2.42 C ATOM 1032 CD1 ILE A 65 1.257 12.340 -3.409 1.00 64.13 C ATOM 0 H ILE A 65 1.944 15.533 -5.227 1.00 24.44 H new ATOM 0 HA ILE A 65 2.204 13.532 -7.224 1.00 34.02 H new ATOM 0 HB ILE A 65 -0.312 13.744 -5.429 1.00 71.10 H new ATOM 0 HG12 ILE A 65 2.524 12.590 -4.973 1.00 55.31 H new ATOM 0 HG13 ILE A 65 1.943 14.065 -4.226 1.00 55.31 H new ATOM 0 HG21 ILE A 65 -0.386 11.289 -5.509 1.00 2.42 H new ATOM 0 HG22 ILE A 65 -0.503 11.980 -7.144 1.00 2.42 H new ATOM 0 HG23 ILE A 65 1.026 11.257 -6.592 1.00 2.42 H new ATOM 0 HD11 ILE A 65 2.088 12.310 -2.704 1.00 64.13 H new ATOM 0 HD12 ILE A 65 0.399 12.822 -2.939 1.00 64.13 H new ATOM 0 HD13 ILE A 65 0.989 11.324 -3.698 1.00 64.13 H new ATOM 1044 N THR A 66 0.622 13.936 -9.007 1.00 65.14 N ATOM 1045 CA THR A 66 -0.400 13.945 -10.034 1.00 62.34 C ATOM 1046 C THR A 66 -1.599 13.090 -9.585 1.00 62.40 C ATOM 1047 O THR A 66 -1.475 11.891 -9.325 1.00 30.41 O ATOM 1048 CB THR A 66 0.160 13.474 -11.402 1.00 22.04 C ATOM 1049 OG1 THR A 66 0.924 12.262 -11.259 1.00 52.44 O ATOM 1050 CG2 THR A 66 1.048 14.558 -12.008 1.00 71.15 C ATOM 0 H THR A 66 1.439 13.371 -9.237 1.00 65.14 H new ATOM 0 HA THR A 66 -0.741 14.971 -10.175 1.00 62.34 H new ATOM 0 HB THR A 66 -0.687 13.280 -12.060 1.00 22.04 H new ATOM 0 HG1 THR A 66 0.470 11.661 -10.632 1.00 52.44 H new ATOM 0 HG21 THR A 66 1.435 14.216 -12.968 1.00 71.15 H new ATOM 0 HG22 THR A 66 0.464 15.467 -12.155 1.00 71.15 H new ATOM 0 HG23 THR A 66 1.879 14.766 -11.334 1.00 71.15 H new ATOM 1058 N THR A 67 -2.755 13.747 -9.510 1.00 33.33 N ATOM 1059 CA THR A 67 -3.964 13.223 -8.869 1.00 3.34 C ATOM 1060 C THR A 67 -4.298 11.742 -9.177 1.00 32.03 C ATOM 1061 O THR A 67 -4.800 11.038 -8.303 1.00 21.05 O ATOM 1062 CB THR A 67 -5.177 14.081 -9.270 1.00 60.23 C ATOM 1063 OG1 THR A 67 -4.884 15.471 -9.054 1.00 13.10 O ATOM 1064 CG2 THR A 67 -6.410 13.673 -8.468 1.00 33.02 C ATOM 0 H THR A 67 -2.882 14.680 -9.902 1.00 33.33 H new ATOM 0 HA THR A 67 -3.751 13.272 -7.801 1.00 3.34 H new ATOM 0 HB THR A 67 -5.385 13.920 -10.328 1.00 60.23 H new ATOM 0 HG1 THR A 67 -5.659 16.013 -9.312 1.00 13.10 H new ATOM 0 HG21 THR A 67 -7.258 14.290 -8.765 1.00 33.02 H new ATOM 0 HG22 THR A 67 -6.639 12.625 -8.661 1.00 33.02 H new ATOM 0 HG23 THR A 67 -6.215 13.812 -7.405 1.00 33.02 H new ATOM 1072 N VAL A 68 -4.035 11.289 -10.407 1.00 63.14 N ATOM 1073 CA VAL A 68 -4.449 9.988 -10.838 1.00 13.54 C ATOM 1074 C VAL A 68 -3.775 8.835 -9.929 1.00 21.21 C ATOM 1075 O VAL A 68 -4.351 7.767 -9.682 1.00 75.43 O ATOM 1076 CB VAL A 68 -4.064 9.838 -12.359 1.00 74.23 C ATOM 1077 CG1 VAL A 68 -4.704 8.572 -12.682 1.00 62.54 C ATOM 1078 CG2 VAL A 68 -4.414 11.035 -13.523 1.00 1.42 C ATOM 0 H VAL A 68 -3.531 11.825 -11.114 1.00 63.14 H new ATOM 0 HA VAL A 68 -5.527 9.875 -10.723 1.00 13.54 H new ATOM 0 HB VAL A 68 -2.980 9.927 -12.433 1.00 74.23 H new ATOM 0 HG11 VAL A 68 -4.521 8.328 -13.729 1.00 62.54 H new ATOM 0 HG12 VAL A 68 -4.294 7.785 -12.049 1.00 62.54 H new ATOM 0 HG13 VAL A 68 -5.777 8.653 -12.510 1.00 62.54 H new ATOM 0 HG21 VAL A 68 -4.054 10.710 -14.499 1.00 1.42 H new ATOM 0 HG22 VAL A 68 -5.491 11.195 -13.568 1.00 1.42 H new ATOM 0 HG23 VAL A 68 -3.920 11.967 -13.247 1.00 1.42 H new ATOM 1088 N TYR A 69 -2.594 9.126 -9.362 1.00 62.40 N ATOM 1089 CA TYR A 69 -1.815 8.157 -8.571 1.00 5.21 C ATOM 1090 C TYR A 69 -2.621 7.527 -7.412 1.00 52.01 C ATOM 1091 O TYR A 69 -2.610 6.301 -7.247 1.00 73.32 O ATOM 1092 CB TYR A 69 -0.571 8.866 -8.055 1.00 31.34 C ATOM 1093 CG TYR A 69 0.426 7.975 -7.370 1.00 54.42 C ATOM 1094 CD1 TYR A 69 1.210 7.089 -8.098 1.00 73.53 C ATOM 1095 CD2 TYR A 69 0.611 8.048 -5.998 1.00 52.25 C ATOM 1096 CE1 TYR A 69 2.147 6.298 -7.473 1.00 21.23 C ATOM 1097 CE2 TYR A 69 1.541 7.255 -5.365 1.00 21.10 C ATOM 1098 CZ TYR A 69 2.309 6.383 -6.110 1.00 41.41 C ATOM 1099 OH TYR A 69 3.256 5.601 -5.494 1.00 55.21 O ATOM 0 H TYR A 69 -2.150 10.041 -9.438 1.00 62.40 H new ATOM 0 HA TYR A 69 -1.543 7.321 -9.216 1.00 5.21 H new ATOM 0 HB2 TYR A 69 -0.079 9.361 -8.892 1.00 31.34 H new ATOM 0 HB3 TYR A 69 -0.878 9.646 -7.359 1.00 31.34 H new ATOM 0 HD1 TYR A 69 1.083 7.020 -9.168 1.00 73.53 H new ATOM 0 HD2 TYR A 69 0.016 8.738 -5.417 1.00 52.25 H new ATOM 0 HE1 TYR A 69 2.752 5.614 -8.050 1.00 21.23 H new ATOM 0 HE2 TYR A 69 1.669 7.315 -4.294 1.00 21.10 H new ATOM 0 HH TYR A 69 2.934 5.335 -4.607 1.00 55.21 H new ATOM 1109 N PHE A 70 -3.315 8.347 -6.613 1.00 3.42 N ATOM 1110 CA PHE A 70 -4.109 7.823 -5.487 1.00 32.43 C ATOM 1111 C PHE A 70 -5.112 6.788 -5.964 1.00 22.24 C ATOM 1112 O PHE A 70 -5.310 5.759 -5.321 1.00 1.21 O ATOM 1113 CB PHE A 70 -4.855 8.944 -4.750 1.00 5.13 C ATOM 1114 CG PHE A 70 -3.942 9.882 -4.025 1.00 74.42 C ATOM 1115 CD1 PHE A 70 -3.338 9.494 -2.840 1.00 71.12 C ATOM 1116 CD2 PHE A 70 -3.675 11.137 -4.534 1.00 34.30 C ATOM 1117 CE1 PHE A 70 -2.486 10.350 -2.173 1.00 50.22 C ATOM 1118 CE2 PHE A 70 -2.823 11.997 -3.876 1.00 10.34 C ATOM 1119 CZ PHE A 70 -2.227 11.604 -2.691 1.00 70.11 C ATOM 0 H PHE A 70 -3.346 9.361 -6.719 1.00 3.42 H new ATOM 0 HA PHE A 70 -3.407 7.356 -4.796 1.00 32.43 H new ATOM 0 HB2 PHE A 70 -5.450 9.509 -5.468 1.00 5.13 H new ATOM 0 HB3 PHE A 70 -5.551 8.501 -4.037 1.00 5.13 H new ATOM 0 HD1 PHE A 70 -3.536 8.513 -2.435 1.00 71.12 H new ATOM 0 HD2 PHE A 70 -4.139 11.448 -5.458 1.00 34.30 H new ATOM 0 HE1 PHE A 70 -2.023 10.040 -1.248 1.00 50.22 H new ATOM 0 HE2 PHE A 70 -2.621 12.976 -4.285 1.00 10.34 H new ATOM 0 HZ PHE A 70 -1.560 12.277 -2.172 1.00 70.11 H new ATOM 1129 N TYR A 71 -5.731 7.057 -7.105 1.00 44.32 N ATOM 1130 CA TYR A 71 -6.776 6.180 -7.620 1.00 53.12 C ATOM 1131 C TYR A 71 -6.178 4.897 -8.148 1.00 54.25 C ATOM 1132 O TYR A 71 -6.754 3.823 -7.974 1.00 72.13 O ATOM 1133 CB TYR A 71 -7.594 6.861 -8.712 1.00 12.14 C ATOM 1134 CG TYR A 71 -8.382 8.047 -8.217 1.00 33.53 C ATOM 1135 CD1 TYR A 71 -7.750 9.223 -7.833 1.00 42.25 C ATOM 1136 CD2 TYR A 71 -9.763 7.980 -8.123 1.00 24.20 C ATOM 1137 CE1 TYR A 71 -8.479 10.298 -7.370 1.00 22.14 C ATOM 1138 CE2 TYR A 71 -10.496 9.047 -7.661 1.00 51.55 C ATOM 1139 CZ TYR A 71 -9.852 10.204 -7.287 1.00 4.12 C ATOM 1140 OH TYR A 71 -10.588 11.264 -6.817 1.00 54.11 O ATOM 0 H TYR A 71 -5.531 7.869 -7.689 1.00 44.32 H new ATOM 0 HA TYR A 71 -7.446 5.949 -6.792 1.00 53.12 H new ATOM 0 HB2 TYR A 71 -6.924 7.186 -9.508 1.00 12.14 H new ATOM 0 HB3 TYR A 71 -8.280 6.135 -9.148 1.00 12.14 H new ATOM 0 HD1 TYR A 71 -6.674 9.296 -7.898 1.00 42.25 H new ATOM 0 HD2 TYR A 71 -10.272 7.074 -8.418 1.00 24.20 H new ATOM 0 HE1 TYR A 71 -7.978 11.208 -7.074 1.00 22.14 H new ATOM 0 HE2 TYR A 71 -11.572 8.978 -7.592 1.00 51.55 H new ATOM 0 HH TYR A 71 -11.540 11.031 -6.825 1.00 54.11 H new ATOM 1150 N GLU A 72 -5.027 5.011 -8.794 1.00 32.32 N ATOM 1151 CA GLU A 72 -4.308 3.842 -9.278 1.00 32.51 C ATOM 1152 C GLU A 72 -3.973 2.924 -8.098 1.00 3.34 C ATOM 1153 O GLU A 72 -4.021 1.698 -8.216 1.00 45.11 O ATOM 1154 CB GLU A 72 -3.034 4.269 -10.019 1.00 2.11 C ATOM 1155 CG GLU A 72 -3.281 5.180 -11.223 1.00 61.02 C ATOM 1156 CD GLU A 72 -3.862 4.450 -12.427 1.00 35.11 C ATOM 1157 OE1 GLU A 72 -5.084 4.174 -12.446 1.00 73.52 O ATOM 1158 OE2 GLU A 72 -3.094 4.146 -13.367 1.00 52.22 O ATOM 0 H GLU A 72 -4.571 5.901 -8.995 1.00 32.32 H new ATOM 0 HA GLU A 72 -4.937 3.295 -9.981 1.00 32.51 H new ATOM 0 HB2 GLU A 72 -2.375 4.783 -9.319 1.00 2.11 H new ATOM 0 HB3 GLU A 72 -2.507 3.376 -10.356 1.00 2.11 H new ATOM 0 HG2 GLU A 72 -3.961 5.980 -10.930 1.00 61.02 H new ATOM 0 HG3 GLU A 72 -2.341 5.650 -11.512 1.00 61.02 H new ATOM 1165 N LEU A 73 -3.638 3.538 -6.959 1.00 75.41 N ATOM 1166 CA LEU A 73 -3.435 2.804 -5.708 1.00 63.24 C ATOM 1167 C LEU A 73 -4.736 2.156 -5.223 1.00 32.24 C ATOM 1168 O LEU A 73 -4.729 0.993 -4.815 1.00 74.20 O ATOM 1169 CB LEU A 73 -2.870 3.721 -4.608 1.00 52.40 C ATOM 1170 CG LEU A 73 -1.340 3.708 -4.449 1.00 42.34 C ATOM 1171 CD1 LEU A 73 -0.834 2.286 -4.208 1.00 10.52 C ATOM 1172 CD2 LEU A 73 -0.659 4.331 -5.664 1.00 33.11 C ATOM 0 H LEU A 73 -3.501 4.546 -6.879 1.00 75.41 H new ATOM 0 HA LEU A 73 -2.710 2.017 -5.915 1.00 63.24 H new ATOM 0 HB2 LEU A 73 -3.187 4.743 -4.815 1.00 52.40 H new ATOM 0 HB3 LEU A 73 -3.318 3.435 -3.656 1.00 52.40 H new ATOM 0 HG LEU A 73 -1.085 4.311 -3.578 1.00 42.34 H new ATOM 0 HD11 LEU A 73 0.250 2.299 -4.098 1.00 10.52 H new ATOM 0 HD12 LEU A 73 -1.286 1.888 -3.299 1.00 10.52 H new ATOM 0 HD13 LEU A 73 -1.105 1.655 -5.054 1.00 10.52 H new ATOM 0 HD21 LEU A 73 0.422 4.309 -5.526 1.00 33.11 H new ATOM 0 HD22 LEU A 73 -0.922 3.766 -6.558 1.00 33.11 H new ATOM 0 HD23 LEU A 73 -0.990 5.363 -5.777 1.00 33.11 H new ATOM 1184 N GLN A 74 -5.845 2.910 -5.240 1.00 44.02 N ATOM 1185 CA GLN A 74 -7.145 2.350 -4.848 1.00 54.15 C ATOM 1186 C GLN A 74 -7.408 1.064 -5.635 1.00 11.15 C ATOM 1187 O GLN A 74 -7.650 0.003 -5.062 1.00 63.32 O ATOM 1188 CB GLN A 74 -8.326 3.309 -5.123 1.00 4.40 C ATOM 1189 CG GLN A 74 -8.214 4.725 -4.570 1.00 20.44 C ATOM 1190 CD GLN A 74 -9.540 5.459 -4.692 1.00 11.01 C ATOM 1191 OE1 GLN A 74 -10.304 5.558 -3.734 1.00 62.34 O ATOM 1192 NE2 GLN A 74 -9.871 5.887 -5.900 1.00 14.13 N ATOM 0 H GLN A 74 -5.869 3.892 -5.516 1.00 44.02 H new ATOM 0 HA GLN A 74 -7.088 2.169 -3.775 1.00 54.15 H new ATOM 0 HB2 GLN A 74 -8.462 3.377 -6.202 1.00 4.40 H new ATOM 0 HB3 GLN A 74 -9.230 2.857 -4.716 1.00 4.40 H new ATOM 0 HG2 GLN A 74 -7.908 4.689 -3.524 1.00 20.44 H new ATOM 0 HG3 GLN A 74 -7.440 5.271 -5.110 1.00 20.44 H new ATOM 0 HE21 GLN A 74 -9.213 5.790 -6.674 1.00 14.13 H new ATOM 0 HE22 GLN A 74 -10.784 6.314 -6.057 1.00 14.13 H new ATOM 1201 N GLU A 75 -7.341 1.195 -6.960 1.00 52.44 N ATOM 1202 CA GLU A 75 -7.645 0.115 -7.898 1.00 2.15 C ATOM 1203 C GLU A 75 -6.701 -1.084 -7.721 1.00 11.13 C ATOM 1204 O GLU A 75 -7.153 -2.226 -7.598 1.00 72.11 O ATOM 1205 CB GLU A 75 -7.562 0.663 -9.337 1.00 51.10 C ATOM 1206 CG GLU A 75 -8.574 1.774 -9.633 1.00 21.41 C ATOM 1207 CD GLU A 75 -10.003 1.256 -9.767 1.00 51.54 C ATOM 1208 OE1 GLU A 75 -10.697 1.119 -8.738 1.00 1.42 O ATOM 1209 OE2 GLU A 75 -10.440 0.976 -10.905 1.00 51.02 O ATOM 0 H GLU A 75 -7.071 2.066 -7.418 1.00 52.44 H new ATOM 0 HA GLU A 75 -8.653 -0.246 -7.695 1.00 2.15 H new ATOM 0 HB2 GLU A 75 -6.556 1.044 -9.514 1.00 51.10 H new ATOM 0 HB3 GLU A 75 -7.720 -0.157 -10.038 1.00 51.10 H new ATOM 0 HG2 GLU A 75 -8.535 2.516 -8.835 1.00 21.41 H new ATOM 0 HG3 GLU A 75 -8.289 2.282 -10.554 1.00 21.41 H new ATOM 1216 N ASN A 76 -5.395 -0.823 -7.700 1.00 34.42 N ATOM 1217 CA ASN A 76 -4.401 -1.900 -7.644 1.00 21.24 C ATOM 1218 C ASN A 76 -4.391 -2.596 -6.261 1.00 43.42 C ATOM 1219 O ASN A 76 -4.259 -3.816 -6.184 1.00 0.12 O ATOM 1220 CB ASN A 76 -3.004 -1.376 -8.074 1.00 13.15 C ATOM 1221 CG ASN A 76 -2.117 -0.881 -6.937 1.00 64.23 C ATOM 1222 OD1 ASN A 76 -1.769 0.294 -6.869 1.00 64.32 O ATOM 1223 ND2 ASN A 76 -1.712 -1.784 -6.060 1.00 63.13 N ATOM 0 H ASN A 76 -5.000 0.117 -7.721 1.00 34.42 H new ATOM 0 HA ASN A 76 -4.684 -2.671 -8.360 1.00 21.24 H new ATOM 0 HB2 ASN A 76 -2.481 -2.174 -8.600 1.00 13.15 H new ATOM 0 HB3 ASN A 76 -3.142 -0.562 -8.786 1.00 13.15 H new ATOM 0 HD21 ASN A 76 -1.091 -1.512 -5.298 1.00 63.13 H new ATOM 0 HD22 ASN A 76 -2.020 -2.752 -6.146 1.00 63.13 H new ATOM 1230 N LEU A 77 -4.528 -1.833 -5.177 1.00 23.05 N ATOM 1231 CA LEU A 77 -4.699 -2.406 -3.831 1.00 3.11 C ATOM 1232 C LEU A 77 -5.968 -3.255 -3.757 1.00 43.05 C ATOM 1233 O LEU A 77 -5.933 -4.401 -3.308 1.00 41.13 O ATOM 1234 CB LEU A 77 -4.745 -1.277 -2.786 1.00 30.24 C ATOM 1235 CG LEU A 77 -3.377 -0.840 -2.230 1.00 33.42 C ATOM 1236 CD1 LEU A 77 -2.352 -0.691 -3.349 1.00 2.35 C ATOM 1237 CD2 LEU A 77 -3.513 0.464 -1.453 1.00 55.02 C ATOM 0 H LEU A 77 -4.525 -0.813 -5.199 1.00 23.05 H new ATOM 0 HA LEU A 77 -3.849 -3.054 -3.618 1.00 3.11 H new ATOM 0 HB2 LEU A 77 -5.231 -0.410 -3.233 1.00 30.24 H new ATOM 0 HB3 LEU A 77 -5.371 -1.599 -1.954 1.00 30.24 H new ATOM 0 HG LEU A 77 -3.023 -1.616 -1.552 1.00 33.42 H new ATOM 0 HD11 LEU A 77 -1.396 -0.382 -2.928 1.00 2.35 H new ATOM 0 HD12 LEU A 77 -2.231 -1.646 -3.861 1.00 2.35 H new ATOM 0 HD13 LEU A 77 -2.696 0.061 -4.059 1.00 2.35 H new ATOM 0 HD21 LEU A 77 -2.538 0.760 -1.066 1.00 55.02 H new ATOM 0 HD22 LEU A 77 -3.893 1.243 -2.114 1.00 55.02 H new ATOM 0 HD23 LEU A 77 -4.205 0.322 -0.623 1.00 55.02 H new ATOM 1249 N GLU A 78 -7.077 -2.689 -4.214 1.00 51.11 N ATOM 1250 CA GLU A 78 -8.359 -3.384 -4.199 1.00 14.23 C ATOM 1251 C GLU A 78 -8.285 -4.698 -4.981 1.00 64.10 C ATOM 1252 O GLU A 78 -8.682 -5.759 -4.472 1.00 51.01 O ATOM 1253 CB GLU A 78 -9.473 -2.497 -4.773 1.00 54.23 C ATOM 1254 CG GLU A 78 -10.868 -3.031 -4.469 1.00 33.01 C ATOM 1255 CD GLU A 78 -11.983 -2.167 -5.040 1.00 53.24 C ATOM 1256 OE1 GLU A 78 -12.095 -2.070 -6.276 1.00 53.51 O ATOM 1257 OE2 GLU A 78 -12.773 -1.603 -4.252 1.00 40.43 O ATOM 0 H GLU A 78 -7.115 -1.746 -4.601 1.00 51.11 H new ATOM 0 HA GLU A 78 -8.594 -3.612 -3.159 1.00 14.23 H new ATOM 0 HB2 GLU A 78 -9.377 -1.491 -4.365 1.00 54.23 H new ATOM 0 HB3 GLU A 78 -9.347 -2.416 -5.853 1.00 54.23 H new ATOM 0 HG2 GLU A 78 -10.958 -4.040 -4.871 1.00 33.01 H new ATOM 0 HG3 GLU A 78 -10.993 -3.106 -3.389 1.00 33.01 H new ATOM 1264 N LYS A 79 -7.768 -4.654 -6.215 1.00 12.41 N ATOM 1265 CA LYS A 79 -7.723 -5.872 -7.017 1.00 64.43 C ATOM 1266 C LYS A 79 -6.738 -6.866 -6.432 1.00 54.32 C ATOM 1267 O LYS A 79 -7.056 -8.045 -6.303 1.00 23.11 O ATOM 1268 CB LYS A 79 -7.386 -5.659 -8.504 1.00 64.10 C ATOM 1269 CG LYS A 79 -7.723 -6.921 -9.315 1.00 5.43 C ATOM 1270 CD LYS A 79 -6.869 -7.128 -10.565 1.00 25.42 C ATOM 1271 CE LYS A 79 -7.147 -8.504 -11.179 1.00 21.43 C ATOM 1272 NZ LYS A 79 -6.286 -8.795 -12.358 1.00 43.23 N ATOM 0 H LYS A 79 -7.389 -3.820 -6.663 1.00 12.41 H new ATOM 0 HA LYS A 79 -8.742 -6.258 -6.980 1.00 64.43 H new ATOM 0 HB2 LYS A 79 -7.947 -4.809 -8.892 1.00 64.10 H new ATOM 0 HB3 LYS A 79 -6.328 -5.420 -8.613 1.00 64.10 H new ATOM 0 HG2 LYS A 79 -7.612 -7.791 -8.668 1.00 5.43 H new ATOM 0 HG3 LYS A 79 -8.771 -6.876 -9.612 1.00 5.43 H new ATOM 0 HD2 LYS A 79 -7.085 -6.347 -11.294 1.00 25.42 H new ATOM 0 HD3 LYS A 79 -5.813 -7.043 -10.310 1.00 25.42 H new ATOM 0 HE2 LYS A 79 -6.991 -9.273 -10.422 1.00 21.43 H new ATOM 0 HE3 LYS A 79 -8.194 -8.559 -11.477 1.00 21.43 H new ATOM 0 HZ1 LYS A 79 -6.517 -9.737 -12.732 1.00 43.23 H new ATOM 0 HZ2 LYS A 79 -6.452 -8.080 -13.094 1.00 43.23 H new ATOM 0 HZ3 LYS A 79 -5.286 -8.771 -12.072 1.00 43.23 H new ATOM 1286 N LEU A 80 -5.543 -6.416 -6.070 1.00 21.23 N ATOM 1287 CA LEU A 80 -4.538 -7.348 -5.573 1.00 70.00 C ATOM 1288 C LEU A 80 -4.983 -7.950 -4.239 1.00 33.32 C ATOM 1289 O LEU A 80 -4.574 -9.051 -3.875 1.00 73.00 O ATOM 1290 CB LEU A 80 -3.141 -6.705 -5.511 1.00 41.10 C ATOM 1291 CG LEU A 80 -2.609 -6.253 -6.889 1.00 22.53 C ATOM 1292 CD1 LEU A 80 -1.199 -5.671 -6.795 1.00 75.23 C ATOM 1293 CD2 LEU A 80 -2.653 -7.409 -7.889 1.00 13.12 C ATOM 0 H LEU A 80 -5.251 -5.440 -6.109 1.00 21.23 H new ATOM 0 HA LEU A 80 -4.448 -8.171 -6.282 1.00 70.00 H new ATOM 0 HB2 LEU A 80 -3.175 -5.844 -4.843 1.00 41.10 H new ATOM 0 HB3 LEU A 80 -2.441 -7.418 -5.076 1.00 41.10 H new ATOM 0 HG LEU A 80 -3.263 -5.458 -7.246 1.00 22.53 H new ATOM 0 HD11 LEU A 80 -0.864 -5.366 -7.787 1.00 75.23 H new ATOM 0 HD12 LEU A 80 -1.206 -4.806 -6.132 1.00 75.23 H new ATOM 0 HD13 LEU A 80 -0.520 -6.426 -6.399 1.00 75.23 H new ATOM 0 HD21 LEU A 80 -2.274 -7.070 -8.853 1.00 13.12 H new ATOM 0 HD22 LEU A 80 -2.035 -8.229 -7.524 1.00 13.12 H new ATOM 0 HD23 LEU A 80 -3.681 -7.752 -8.003 1.00 13.12 H new ATOM 1305 N LEU A 81 -5.869 -7.240 -3.544 1.00 42.14 N ATOM 1306 CA LEU A 81 -6.555 -7.797 -2.387 1.00 54.53 C ATOM 1307 C LEU A 81 -7.517 -8.900 -2.841 1.00 0.32 C ATOM 1308 O LEU A 81 -7.621 -9.950 -2.199 1.00 45.23 O ATOM 1309 CB LEU A 81 -7.282 -6.676 -1.624 1.00 12.14 C ATOM 1310 CG LEU A 81 -8.325 -7.119 -0.573 1.00 24.25 C ATOM 1311 CD1 LEU A 81 -8.391 -6.124 0.585 1.00 23.32 C ATOM 1312 CD2 LEU A 81 -9.701 -7.274 -1.218 1.00 72.51 C ATOM 0 H LEU A 81 -6.127 -6.278 -3.764 1.00 42.14 H new ATOM 0 HA LEU A 81 -5.833 -8.246 -1.704 1.00 54.53 H new ATOM 0 HB2 LEU A 81 -6.533 -6.063 -1.123 1.00 12.14 H new ATOM 0 HB3 LEU A 81 -7.782 -6.037 -2.352 1.00 12.14 H new ATOM 0 HG LEU A 81 -8.014 -8.085 -0.175 1.00 24.25 H new ATOM 0 HD11 LEU A 81 -9.132 -6.459 1.311 1.00 23.32 H new ATOM 0 HD12 LEU A 81 -7.415 -6.061 1.066 1.00 23.32 H new ATOM 0 HD13 LEU A 81 -8.673 -5.142 0.205 1.00 23.32 H new ATOM 0 HD21 LEU A 81 -10.423 -7.586 -0.464 1.00 72.51 H new ATOM 0 HD22 LEU A 81 -10.012 -6.321 -1.645 1.00 72.51 H new ATOM 0 HD23 LEU A 81 -9.651 -8.026 -2.006 1.00 72.51 H new ATOM 1324 N GLN A 82 -8.222 -8.658 -3.955 1.00 22.25 N ATOM 1325 CA GLN A 82 -9.095 -9.678 -4.551 1.00 4.31 C ATOM 1326 C GLN A 82 -8.295 -10.942 -4.932 1.00 10.21 C ATOM 1327 O GLN A 82 -8.750 -12.054 -4.687 1.00 62.10 O ATOM 1328 CB GLN A 82 -9.823 -9.127 -5.792 1.00 65.52 C ATOM 1329 CG GLN A 82 -10.882 -8.053 -5.521 1.00 11.24 C ATOM 1330 CD GLN A 82 -12.030 -8.522 -4.642 1.00 10.31 C ATOM 1331 OE1 GLN A 82 -12.963 -9.173 -5.112 1.00 42.33 O ATOM 1332 NE2 GLN A 82 -12.020 -8.108 -3.388 1.00 52.42 N ATOM 0 H GLN A 82 -8.205 -7.771 -4.458 1.00 22.25 H new ATOM 0 HA GLN A 82 -9.838 -9.949 -3.801 1.00 4.31 H new ATOM 0 HB2 GLN A 82 -9.079 -8.713 -6.473 1.00 65.52 H new ATOM 0 HB3 GLN A 82 -10.301 -9.959 -6.309 1.00 65.52 H new ATOM 0 HG2 GLN A 82 -10.402 -7.196 -5.048 1.00 11.24 H new ATOM 0 HG3 GLN A 82 -11.285 -7.707 -6.473 1.00 11.24 H new ATOM 0 HE21 GLN A 82 -11.228 -7.570 -3.035 1.00 52.42 H new ATOM 0 HE22 GLN A 82 -12.804 -8.326 -2.773 1.00 52.42 H new ATOM 1341 N ASP A 83 -7.112 -10.756 -5.538 1.00 64.20 N ATOM 1342 CA ASP A 83 -6.234 -11.879 -5.897 1.00 22.20 C ATOM 1343 C ASP A 83 -5.777 -12.628 -4.648 1.00 2.24 C ATOM 1344 O ASP A 83 -5.750 -13.858 -4.616 1.00 71.14 O ATOM 1345 CB ASP A 83 -5.019 -11.406 -6.727 1.00 61.30 C ATOM 1346 CG ASP A 83 -5.297 -11.408 -8.226 1.00 52.44 C ATOM 1347 OD1 ASP A 83 -6.397 -10.971 -8.630 1.00 22.22 O ATOM 1348 OD2 ASP A 83 -4.438 -11.874 -9.007 1.00 35.32 O ATOM 0 H ASP A 83 -6.742 -9.839 -5.789 1.00 64.20 H new ATOM 0 HA ASP A 83 -6.811 -12.564 -6.518 1.00 22.20 H new ATOM 0 HB2 ASP A 83 -4.739 -10.400 -6.414 1.00 61.30 H new ATOM 0 HB3 ASP A 83 -4.167 -12.053 -6.518 1.00 61.30 H new ATOM 1353 N ALA A 84 -5.445 -11.872 -3.616 1.00 44.44 N ATOM 1354 CA ALA A 84 -5.148 -12.419 -2.280 1.00 42.43 C ATOM 1355 C ALA A 84 -6.298 -13.345 -1.802 1.00 61.32 C ATOM 1356 O ALA A 84 -6.066 -14.458 -1.308 1.00 75.43 O ATOM 1357 CB ALA A 84 -4.996 -11.272 -1.322 1.00 24.43 C ATOM 0 H ALA A 84 -5.370 -10.856 -3.669 1.00 44.44 H new ATOM 0 HA ALA A 84 -4.230 -13.006 -2.323 1.00 42.43 H new ATOM 0 HB1 ALA A 84 -4.776 -11.656 -0.326 1.00 24.43 H new ATOM 0 HB2 ALA A 84 -4.180 -10.629 -1.651 1.00 24.43 H new ATOM 0 HB3 ALA A 84 -5.922 -10.698 -1.292 1.00 24.43 H new ATOM 1363 N TYR A 85 -7.528 -12.871 -1.956 1.00 43.11 N ATOM 1364 CA TYR A 85 -8.730 -13.620 -1.595 1.00 74.43 C ATOM 1365 C TYR A 85 -9.010 -14.781 -2.583 1.00 14.23 C ATOM 1366 O TYR A 85 -9.585 -15.800 -2.198 1.00 4.14 O ATOM 1367 CB TYR A 85 -9.935 -12.638 -1.553 1.00 52.24 C ATOM 1368 CG TYR A 85 -10.110 -11.831 -0.260 1.00 40.34 C ATOM 1369 CD1 TYR A 85 -9.510 -12.219 0.938 1.00 65.22 C ATOM 1370 CD2 TYR A 85 -10.857 -10.644 -0.258 1.00 1.42 C ATOM 1371 CE1 TYR A 85 -9.629 -11.447 2.084 1.00 63.20 C ATOM 1372 CE2 TYR A 85 -10.989 -9.877 0.894 1.00 34.25 C ATOM 1373 CZ TYR A 85 -10.367 -10.285 2.064 1.00 31.12 C ATOM 1374 OH TYR A 85 -10.442 -9.512 3.211 1.00 11.13 O ATOM 0 H TYR A 85 -7.724 -11.946 -2.339 1.00 43.11 H new ATOM 0 HA TYR A 85 -8.578 -14.072 -0.615 1.00 74.43 H new ATOM 0 HB2 TYR A 85 -9.835 -11.938 -2.382 1.00 52.24 H new ATOM 0 HB3 TYR A 85 -10.847 -13.209 -1.726 1.00 52.24 H new ATOM 0 HD1 TYR A 85 -8.943 -13.137 0.974 1.00 65.22 H new ATOM 0 HD2 TYR A 85 -11.339 -10.320 -1.169 1.00 1.42 H new ATOM 0 HE1 TYR A 85 -9.141 -11.759 2.996 1.00 63.20 H new ATOM 0 HE2 TYR A 85 -11.573 -8.969 0.878 1.00 34.25 H new ATOM 0 HH TYR A 85 -10.998 -8.724 3.038 1.00 11.13 H new ATOM 1384 N GLU A 86 -8.623 -14.626 -3.861 1.00 2.15 N ATOM 1385 CA GLU A 86 -8.823 -15.682 -4.864 1.00 41.20 C ATOM 1386 C GLU A 86 -7.899 -16.848 -4.548 1.00 45.52 C ATOM 1387 O GLU A 86 -8.191 -18.013 -4.839 1.00 63.31 O ATOM 1388 CB GLU A 86 -8.563 -15.142 -6.292 1.00 3.30 C ATOM 1389 CG GLU A 86 -8.603 -16.198 -7.409 1.00 2.53 C ATOM 1390 CD GLU A 86 -9.729 -17.217 -7.259 1.00 34.42 C ATOM 1391 OE1 GLU A 86 -10.871 -16.822 -6.941 1.00 12.05 O ATOM 1392 OE2 GLU A 86 -9.477 -18.421 -7.472 1.00 63.41 O ATOM 0 H GLU A 86 -8.173 -13.784 -4.221 1.00 2.15 H new ATOM 0 HA GLU A 86 -9.858 -16.023 -4.828 1.00 41.20 H new ATOM 0 HB2 GLU A 86 -9.304 -14.374 -6.513 1.00 3.30 H new ATOM 0 HB3 GLU A 86 -7.587 -14.657 -6.308 1.00 3.30 H new ATOM 0 HG2 GLU A 86 -8.709 -15.693 -8.369 1.00 2.53 H new ATOM 0 HG3 GLU A 86 -7.650 -16.726 -7.430 1.00 2.53 H new ATOM 1399 N ARG A 87 -6.779 -16.507 -3.944 1.00 5.22 N ATOM 1400 CA ARG A 87 -5.746 -17.460 -3.579 1.00 73.13 C ATOM 1401 C ARG A 87 -5.449 -17.369 -2.078 1.00 71.00 C ATOM 1402 O ARG A 87 -4.299 -17.205 -1.663 1.00 72.13 O ATOM 1403 CB ARG A 87 -4.520 -17.121 -4.418 1.00 1.00 C ATOM 1404 CG ARG A 87 -4.825 -17.176 -5.909 1.00 43.24 C ATOM 1405 CD ARG A 87 -5.159 -18.602 -6.349 1.00 45.14 C ATOM 1406 NE ARG A 87 -6.257 -18.671 -7.306 1.00 71.34 N ATOM 1407 CZ ARG A 87 -6.437 -19.738 -8.087 1.00 21.21 C ATOM 1408 NH1 ARG A 87 -5.653 -20.808 -7.945 1.00 11.12 N ATOM 1409 NH2 ARG A 87 -7.219 -19.635 -9.146 1.00 31.44 N ATOM 0 H ARG A 87 -6.556 -15.545 -3.688 1.00 5.22 H new ATOM 0 HA ARG A 87 -6.060 -18.486 -3.773 1.00 73.13 H new ATOM 0 HB2 ARG A 87 -4.164 -16.125 -4.156 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -3.715 -17.819 -4.185 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -5.662 -16.516 -6.137 1.00 43.24 H new ATOM 0 HG3 ARG A 87 -3.967 -16.809 -6.473 1.00 43.24 H new ATOM 0 HD2 ARG A 87 -4.272 -19.055 -6.792 1.00 45.14 H new ATOM 0 HD3 ARG A 87 -5.415 -19.195 -5.471 1.00 45.14 H new ATOM 0 HE ARG A 87 -6.903 -17.885 -7.380 1.00 71.34 H new ATOM 0 HH11 ARG A 87 -4.916 -20.810 -7.240 1.00 11.12 H new ATOM 0 HH12 ARG A 87 -5.790 -21.624 -8.542 1.00 11.12 H new ATOM 0 HH21 ARG A 87 -7.676 -18.748 -9.358 1.00 31.44 H new ATOM 0 HH22 ARG A 87 -7.366 -20.442 -9.752 1.00 31.44 H new ATOM 1423 N SER A 88 -6.503 -17.504 -1.274 1.00 51.22 N ATOM 1424 CA SER A 88 -6.424 -17.251 0.163 1.00 52.32 C ATOM 1425 C SER A 88 -5.874 -18.446 0.944 1.00 3.12 C ATOM 1426 O SER A 88 -6.616 -19.321 1.393 1.00 3.35 O ATOM 1427 CB SER A 88 -7.796 -16.845 0.718 1.00 42.20 C ATOM 1428 OG SER A 88 -8.796 -17.820 0.452 1.00 11.40 O ATOM 0 H SER A 88 -7.427 -17.789 -1.597 1.00 51.22 H new ATOM 0 HA SER A 88 -5.722 -16.428 0.296 1.00 52.32 H new ATOM 0 HB2 SER A 88 -7.719 -16.691 1.794 1.00 42.20 H new ATOM 0 HB3 SER A 88 -8.095 -15.892 0.280 1.00 42.20 H new ATOM 0 HG SER A 88 -8.460 -18.708 0.695 1.00 11.40 H new ATOM 1434 N GLU A 89 -4.560 -18.495 1.066 1.00 74.42 N ATOM 1435 CA GLU A 89 -3.914 -19.382 2.016 1.00 64.04 C ATOM 1436 C GLU A 89 -4.273 -18.941 3.453 1.00 11.52 C ATOM 1437 O GLU A 89 -4.501 -17.752 3.697 1.00 44.14 O ATOM 1438 CB GLU A 89 -2.406 -19.337 1.770 1.00 1.41 C ATOM 1439 CG GLU A 89 -1.597 -20.189 2.732 1.00 31.33 C ATOM 1440 CD GLU A 89 -1.970 -21.664 2.656 1.00 70.51 C ATOM 1441 OE1 GLU A 89 -1.510 -22.350 1.725 1.00 31.24 O ATOM 1442 OE2 GLU A 89 -2.723 -22.145 3.531 1.00 72.24 O ATOM 0 H GLU A 89 -3.916 -17.927 0.515 1.00 74.42 H new ATOM 0 HA GLU A 89 -4.257 -20.409 1.889 1.00 64.04 H new ATOM 0 HB2 GLU A 89 -2.205 -19.667 0.751 1.00 1.41 H new ATOM 0 HB3 GLU A 89 -2.067 -18.304 1.843 1.00 1.41 H new ATOM 0 HG2 GLU A 89 -0.536 -20.074 2.511 1.00 31.33 H new ATOM 0 HG3 GLU A 89 -1.752 -19.830 3.749 1.00 31.33 H new ATOM 1449 N SER A 90 -4.316 -19.889 4.390 1.00 61.00 N ATOM 1450 CA SER A 90 -4.800 -19.637 5.753 1.00 74.33 C ATOM 1451 C SER A 90 -3.867 -18.674 6.513 1.00 41.21 C ATOM 1452 O SER A 90 -2.640 -18.823 6.477 1.00 14.25 O ATOM 1453 CB SER A 90 -4.932 -20.980 6.491 1.00 43.34 C ATOM 1454 OG SER A 90 -5.681 -21.910 5.713 1.00 42.15 O ATOM 0 H SER A 90 -4.018 -20.851 4.229 1.00 61.00 H new ATOM 0 HA SER A 90 -5.776 -19.154 5.702 1.00 74.33 H new ATOM 0 HB2 SER A 90 -3.942 -21.386 6.698 1.00 43.34 H new ATOM 0 HB3 SER A 90 -5.421 -20.826 7.453 1.00 43.34 H new ATOM 0 HG SER A 90 -5.753 -22.759 6.198 1.00 42.15 H new ATOM 1460 N LEU A 91 -4.474 -17.680 7.182 1.00 50.25 N ATOM 1461 CA LEU A 91 -3.760 -16.676 7.992 1.00 20.32 C ATOM 1462 C LEU A 91 -3.059 -15.575 7.193 1.00 64.13 C ATOM 1463 O LEU A 91 -3.426 -14.430 7.317 1.00 2.54 O ATOM 1464 CB LEU A 91 -2.725 -17.315 8.907 1.00 72.54 C ATOM 1465 CG LEU A 91 -3.172 -17.575 10.339 1.00 44.04 C ATOM 1466 CD1 LEU A 91 -4.051 -18.830 10.436 1.00 70.55 C ATOM 1467 CD2 LEU A 91 -1.918 -17.647 11.197 1.00 1.41 C ATOM 0 H LEU A 91 -5.485 -17.548 7.176 1.00 50.25 H new ATOM 0 HA LEU A 91 -4.560 -16.210 8.567 1.00 20.32 H new ATOM 0 HB2 LEU A 91 -2.415 -18.262 8.466 1.00 72.54 H new ATOM 0 HB3 LEU A 91 -1.845 -16.672 8.933 1.00 72.54 H new ATOM 0 HG LEU A 91 -3.807 -16.767 10.704 1.00 44.04 H new ATOM 0 HD11 LEU A 91 -4.351 -18.985 11.472 1.00 70.55 H new ATOM 0 HD12 LEU A 91 -4.938 -18.701 9.816 1.00 70.55 H new ATOM 0 HD13 LEU A 91 -3.488 -19.696 10.088 1.00 70.55 H new ATOM 0 HD21 LEU A 91 -2.197 -17.833 12.234 1.00 1.41 H new ATOM 0 HD22 LEU A 91 -1.280 -18.457 10.842 1.00 1.41 H new ATOM 0 HD23 LEU A 91 -1.377 -16.703 11.130 1.00 1.41 H new ATOM 1479 N GLU A 92 -2.016 -15.928 6.430 1.00 21.11 N ATOM 1480 CA GLU A 92 -1.034 -14.948 5.906 1.00 23.51 C ATOM 1481 C GLU A 92 -1.574 -13.979 4.841 1.00 72.54 C ATOM 1482 O GLU A 92 -0.847 -13.069 4.427 1.00 33.21 O ATOM 1483 CB GLU A 92 0.212 -15.666 5.379 1.00 40.14 C ATOM 1484 CG GLU A 92 0.904 -16.522 6.431 1.00 54.25 C ATOM 1485 CD GLU A 92 1.451 -15.699 7.590 1.00 43.32 C ATOM 1486 OE1 GLU A 92 0.668 -15.306 8.485 1.00 4.02 O ATOM 1487 OE2 GLU A 92 2.663 -15.434 7.613 1.00 43.04 O ATOM 0 H GLU A 92 -1.823 -16.891 6.156 1.00 21.11 H new ATOM 0 HA GLU A 92 -0.784 -14.322 6.762 1.00 23.51 H new ATOM 0 HB2 GLU A 92 -0.070 -16.296 4.536 1.00 40.14 H new ATOM 0 HB3 GLU A 92 0.917 -14.925 5.002 1.00 40.14 H new ATOM 0 HG2 GLU A 92 0.199 -17.259 6.815 1.00 54.25 H new ATOM 0 HG3 GLU A 92 1.720 -17.074 5.965 1.00 54.25 H new ATOM 1494 N VAL A 93 -2.820 -14.136 4.391 1.00 43.35 N ATOM 1495 CA VAL A 93 -3.499 -13.029 3.682 1.00 71.11 C ATOM 1496 C VAL A 93 -3.657 -11.910 4.686 1.00 32.52 C ATOM 1497 O VAL A 93 -3.874 -10.762 4.303 1.00 41.32 O ATOM 1498 CB VAL A 93 -4.985 -13.441 3.182 1.00 11.54 C ATOM 1499 CG1 VAL A 93 -4.721 -14.765 2.215 1.00 32.14 C ATOM 1500 CG2 VAL A 93 -6.017 -13.766 4.537 1.00 12.01 C ATOM 0 H VAL A 93 -3.373 -14.987 4.495 1.00 43.35 H new ATOM 0 HA VAL A 93 -2.910 -12.754 2.807 1.00 71.11 H new ATOM 0 HB VAL A 93 -5.503 -12.653 2.635 1.00 11.54 H new ATOM 0 HG11 VAL A 93 -5.672 -15.124 1.823 1.00 32.14 H new ATOM 0 HG12 VAL A 93 -4.069 -14.487 1.387 1.00 32.14 H new ATOM 0 HG13 VAL A 93 -4.248 -15.554 2.800 1.00 32.14 H new ATOM 0 HG21 VAL A 93 -7.010 -14.041 4.181 1.00 12.01 H new ATOM 0 HG22 VAL A 93 -5.602 -14.586 5.122 1.00 12.01 H new ATOM 0 HG23 VAL A 93 -6.089 -12.875 5.161 1.00 12.01 H new ATOM 1510 N ALA A 94 -3.683 -12.262 5.966 1.00 0.34 N ATOM 1511 CA ALA A 94 -3.898 -11.206 6.961 1.00 61.22 C ATOM 1512 C ALA A 94 -3.055 -9.988 6.709 1.00 74.25 C ATOM 1513 O ALA A 94 -3.582 -8.939 6.467 1.00 32.43 O ATOM 1514 CB ALA A 94 -3.438 -11.616 8.283 1.00 13.10 C ATOM 0 H ALA A 94 -3.566 -13.208 6.330 1.00 0.34 H new ATOM 0 HA ALA A 94 -4.968 -11.007 6.898 1.00 61.22 H new ATOM 0 HB1 ALA A 94 -3.613 -10.810 8.995 1.00 13.10 H new ATOM 0 HB2 ALA A 94 -3.985 -12.504 8.599 1.00 13.10 H new ATOM 0 HB3 ALA A 94 -2.372 -11.841 8.244 1.00 13.10 H new ATOM 1520 N PHE A 95 -1.664 -10.116 6.632 1.00 64.42 N ATOM 1521 CA PHE A 95 -0.789 -8.954 6.289 1.00 13.03 C ATOM 1522 C PHE A 95 -1.170 -8.319 4.963 1.00 72.20 C ATOM 1523 O PHE A 95 -1.309 -7.109 4.857 1.00 52.51 O ATOM 1524 CB PHE A 95 0.674 -9.395 6.203 1.00 74.44 C ATOM 1525 CG PHE A 95 1.656 -8.257 6.254 1.00 34.13 C ATOM 1526 CD1 PHE A 95 1.830 -7.527 7.423 1.00 14.03 C ATOM 1527 CD2 PHE A 95 2.404 -7.919 5.140 1.00 72.41 C ATOM 1528 CE1 PHE A 95 2.730 -6.477 7.470 1.00 23.44 C ATOM 1529 CE2 PHE A 95 3.305 -6.876 5.183 1.00 41.42 C ATOM 1530 CZ PHE A 95 3.469 -6.153 6.344 1.00 53.41 C ATOM 0 H PHE A 95 -1.162 -10.988 6.800 1.00 64.42 H new ATOM 0 HA PHE A 95 -0.925 -8.219 7.083 1.00 13.03 H new ATOM 0 HB2 PHE A 95 0.885 -10.082 7.023 1.00 74.44 H new ATOM 0 HB3 PHE A 95 0.823 -9.949 5.276 1.00 74.44 H new ATOM 0 HD1 PHE A 95 1.258 -7.781 8.303 1.00 14.03 H new ATOM 0 HD2 PHE A 95 2.281 -8.479 4.225 1.00 72.41 H new ATOM 0 HE1 PHE A 95 2.856 -5.912 8.382 1.00 23.44 H new ATOM 0 HE2 PHE A 95 3.883 -6.626 4.305 1.00 41.42 H new ATOM 0 HZ PHE A 95 4.173 -5.335 6.376 1.00 53.41 H new ATOM 1540 N VAL A 96 -1.355 -9.126 3.949 1.00 32.41 N ATOM 1541 CA VAL A 96 -1.652 -8.593 2.651 1.00 53.23 C ATOM 1542 C VAL A 96 -2.914 -7.721 2.674 1.00 4.21 C ATOM 1543 O VAL A 96 -2.879 -6.580 2.280 1.00 44.14 O ATOM 1544 CB VAL A 96 -1.771 -9.731 1.640 1.00 63.20 C ATOM 1545 CG1 VAL A 96 -2.295 -9.128 0.298 1.00 13.52 C ATOM 1546 CG2 VAL A 96 -0.381 -10.448 1.449 1.00 72.52 C ATOM 0 H VAL A 96 -1.305 -10.144 3.999 1.00 32.41 H new ATOM 0 HA VAL A 96 -0.831 -7.944 2.346 1.00 53.23 H new ATOM 0 HB VAL A 96 -2.470 -10.488 1.996 1.00 63.20 H new ATOM 0 HG11 VAL A 96 -2.390 -9.920 -0.444 1.00 13.52 H new ATOM 0 HG12 VAL A 96 -3.269 -8.666 0.462 1.00 13.52 H new ATOM 0 HG13 VAL A 96 -1.593 -8.376 -0.062 1.00 13.52 H new ATOM 0 HG21 VAL A 96 -0.485 -11.256 0.725 1.00 72.52 H new ATOM 0 HG22 VAL A 96 0.353 -9.728 1.086 1.00 72.52 H new ATOM 0 HG23 VAL A 96 -0.048 -10.856 2.403 1.00 72.52 H new ATOM 1556 N THR A 97 -4.023 -8.293 3.122 1.00 53.45 N ATOM 1557 CA THR A 97 -5.309 -7.609 3.112 1.00 71.12 C ATOM 1558 C THR A 97 -5.270 -6.372 4.026 1.00 50.42 C ATOM 1559 O THR A 97 -5.652 -5.255 3.626 1.00 41.42 O ATOM 1560 CB THR A 97 -6.391 -8.601 3.569 1.00 20.11 C ATOM 1561 OG1 THR A 97 -6.234 -9.834 2.851 1.00 75.15 O ATOM 1562 CG2 THR A 97 -7.783 -8.058 3.326 1.00 74.10 C ATOM 0 H THR A 97 -4.057 -9.239 3.501 1.00 53.45 H new ATOM 0 HA THR A 97 -5.538 -7.261 2.105 1.00 71.12 H new ATOM 0 HB THR A 97 -6.272 -8.763 4.640 1.00 20.11 H new ATOM 0 HG1 THR A 97 -5.563 -10.390 3.299 1.00 75.15 H new ATOM 0 HG21 THR A 97 -8.521 -8.786 3.661 1.00 74.10 H new ATOM 0 HG22 THR A 97 -7.913 -7.128 3.880 1.00 74.10 H new ATOM 0 HG23 THR A 97 -7.919 -7.868 2.261 1.00 74.10 H new ATOM 1570 N GLN A 98 -4.803 -6.580 5.254 1.00 30.21 N ATOM 1571 CA GLN A 98 -4.634 -5.492 6.212 1.00 50.31 C ATOM 1572 C GLN A 98 -3.779 -4.369 5.622 1.00 60.14 C ATOM 1573 O GLN A 98 -4.114 -3.197 5.745 1.00 30.05 O ATOM 1574 CB GLN A 98 -3.998 -6.008 7.510 1.00 63.31 C ATOM 1575 CG GLN A 98 -4.010 -4.976 8.633 1.00 25.13 C ATOM 1576 CD GLN A 98 -3.213 -5.408 9.851 1.00 42.50 C ATOM 1577 OE1 GLN A 98 -3.744 -6.045 10.765 1.00 14.10 O ATOM 1578 NE2 GLN A 98 -1.945 -5.036 9.889 1.00 34.14 N ATOM 0 H GLN A 98 -4.534 -7.497 5.610 1.00 30.21 H new ATOM 0 HA GLN A 98 -5.622 -5.091 6.438 1.00 50.31 H new ATOM 0 HB2 GLN A 98 -4.531 -6.900 7.839 1.00 63.31 H new ATOM 0 HB3 GLN A 98 -2.969 -6.307 7.310 1.00 63.31 H new ATOM 0 HG2 GLN A 98 -3.607 -4.036 8.258 1.00 25.13 H new ATOM 0 HG3 GLN A 98 -5.041 -4.784 8.931 1.00 25.13 H new ATOM 0 HE21 GLN A 98 -1.544 -4.510 9.112 1.00 34.14 H new ATOM 0 HE22 GLN A 98 -1.367 -5.275 10.695 1.00 34.14 H new ATOM 1587 N LEU A 99 -2.689 -4.738 4.975 1.00 25.31 N ATOM 1588 CA LEU A 99 -1.758 -3.767 4.406 1.00 42.05 C ATOM 1589 C LEU A 99 -2.383 -2.949 3.255 1.00 21.51 C ATOM 1590 O LEU A 99 -2.442 -1.712 3.358 1.00 13.54 O ATOM 1591 CB LEU A 99 -0.487 -4.488 3.964 1.00 21.54 C ATOM 1592 CG LEU A 99 0.603 -4.647 5.040 1.00 30.30 C ATOM 1593 CD1 LEU A 99 1.644 -3.543 4.898 1.00 21.34 C ATOM 1594 CD2 LEU A 99 -0.001 -4.635 6.450 1.00 51.45 C ATOM 0 H LEU A 99 -2.421 -5.711 4.827 1.00 25.31 H new ATOM 0 HA LEU A 99 -1.507 -3.040 5.178 1.00 42.05 H new ATOM 0 HB2 LEU A 99 -0.761 -5.479 3.603 1.00 21.54 H new ATOM 0 HB3 LEU A 99 -0.061 -3.947 3.119 1.00 21.54 H new ATOM 0 HG LEU A 99 1.087 -5.613 4.893 1.00 30.30 H new ATOM 0 HD11 LEU A 99 2.410 -3.665 5.664 1.00 21.34 H new ATOM 0 HD12 LEU A 99 2.104 -3.601 3.912 1.00 21.34 H new ATOM 0 HD13 LEU A 99 1.163 -2.572 5.017 1.00 21.34 H new ATOM 0 HD21 LEU A 99 0.794 -4.749 7.187 1.00 51.45 H new ATOM 0 HD22 LEU A 99 -0.517 -3.690 6.617 1.00 51.45 H new ATOM 0 HD23 LEU A 99 -0.709 -5.458 6.550 1.00 51.45 H new ATOM 1606 N VAL A 100 -2.839 -3.603 2.154 1.00 11.12 N ATOM 1607 CA VAL A 100 -3.515 -2.885 1.002 1.00 1.41 C ATOM 1608 C VAL A 100 -4.564 -1.966 1.521 1.00 13.31 C ATOM 1609 O VAL A 100 -4.650 -0.819 1.088 1.00 2.02 O ATOM 1610 CB VAL A 100 -4.010 -3.857 0.040 1.00 73.41 C ATOM 1611 CG1 VAL A 100 -2.871 -4.687 -0.521 1.00 52.25 C ATOM 1612 CG2 VAL A 100 -4.963 -4.832 0.723 1.00 4.51 C ATOM 0 H VAL A 100 -2.760 -4.612 2.025 1.00 11.12 H new ATOM 0 HA VAL A 100 -2.799 -2.259 0.468 1.00 1.41 H new ATOM 0 HB VAL A 100 -4.510 -3.301 -0.753 1.00 73.41 H new ATOM 0 HG11 VAL A 100 -3.265 -5.407 -1.238 1.00 52.25 H new ATOM 0 HG12 VAL A 100 -2.155 -4.033 -1.019 1.00 52.25 H new ATOM 0 HG13 VAL A 100 -2.374 -5.218 0.291 1.00 52.25 H new ATOM 0 HG21 VAL A 100 -5.328 -5.555 -0.006 1.00 4.51 H new ATOM 0 HG22 VAL A 100 -4.437 -5.355 1.522 1.00 4.51 H new ATOM 0 HG23 VAL A 100 -5.806 -4.283 1.142 1.00 4.51 H new ATOM 1622 N LYS A 101 -5.296 -2.465 2.507 1.00 11.34 N ATOM 1623 CA LYS A 101 -6.365 -1.701 3.099 1.00 24.43 C ATOM 1624 C LYS A 101 -5.821 -0.526 3.920 1.00 20.34 C ATOM 1625 O LYS A 101 -6.305 0.582 3.783 1.00 14.15 O ATOM 1626 CB LYS A 101 -7.241 -2.622 3.951 1.00 5.43 C ATOM 1627 CG LYS A 101 -8.604 -2.043 4.323 1.00 33.42 C ATOM 1628 CD LYS A 101 -9.484 -3.119 4.953 1.00 62.55 C ATOM 1629 CE LYS A 101 -9.739 -4.255 3.965 1.00 75.43 C ATOM 1630 NZ LYS A 101 -10.489 -3.790 2.764 1.00 22.05 N ATOM 0 H LYS A 101 -5.163 -3.394 2.907 1.00 11.34 H new ATOM 0 HA LYS A 101 -6.976 -1.274 2.304 1.00 24.43 H new ATOM 0 HB2 LYS A 101 -7.394 -3.557 3.411 1.00 5.43 H new ATOM 0 HB3 LYS A 101 -6.703 -2.867 4.867 1.00 5.43 H new ATOM 0 HG2 LYS A 101 -8.477 -1.214 5.020 1.00 33.42 H new ATOM 0 HG3 LYS A 101 -9.090 -1.641 3.434 1.00 33.42 H new ATOM 0 HD2 LYS A 101 -9.003 -3.511 5.849 1.00 62.55 H new ATOM 0 HD3 LYS A 101 -10.433 -2.683 5.266 1.00 62.55 H new ATOM 0 HE2 LYS A 101 -8.787 -4.686 3.654 1.00 75.43 H new ATOM 0 HE3 LYS A 101 -10.301 -5.047 4.460 1.00 75.43 H new ATOM 0 HZ1 LYS A 101 -10.833 -4.613 2.229 1.00 22.05 H new ATOM 0 HZ2 LYS A 101 -11.298 -3.209 3.063 1.00 22.05 H new ATOM 0 HZ3 LYS A 101 -9.860 -3.223 2.160 1.00 22.05 H new ATOM 1644 N LYS A 102 -4.792 -0.765 4.738 1.00 0.20 N ATOM 1645 CA LYS A 102 -4.247 0.284 5.612 1.00 75.12 C ATOM 1646 C LYS A 102 -3.636 1.412 4.785 1.00 12.35 C ATOM 1647 O LYS A 102 -3.929 2.588 5.007 1.00 64.02 O ATOM 1648 CB LYS A 102 -3.200 -0.286 6.588 1.00 73.52 C ATOM 1649 CG LYS A 102 -3.786 -1.116 7.725 1.00 53.11 C ATOM 1650 CD LYS A 102 -4.620 -0.286 8.697 1.00 73.23 C ATOM 1651 CE LYS A 102 -5.153 -1.157 9.829 1.00 2.42 C ATOM 1652 NZ LYS A 102 -5.916 -0.381 10.841 1.00 4.55 N ATOM 0 H LYS A 102 -4.321 -1.667 4.815 1.00 0.20 H new ATOM 0 HA LYS A 102 -5.074 0.686 6.198 1.00 75.12 H new ATOM 0 HB2 LYS A 102 -2.497 -0.903 6.028 1.00 73.52 H new ATOM 0 HB3 LYS A 102 -2.630 0.540 7.013 1.00 73.52 H new ATOM 0 HG2 LYS A 102 -4.406 -1.909 7.307 1.00 53.11 H new ATOM 0 HG3 LYS A 102 -2.976 -1.599 8.270 1.00 53.11 H new ATOM 0 HD2 LYS A 102 -4.013 0.521 9.107 1.00 73.23 H new ATOM 0 HD3 LYS A 102 -5.451 0.178 8.166 1.00 73.23 H new ATOM 0 HE2 LYS A 102 -5.795 -1.933 9.413 1.00 2.42 H new ATOM 0 HE3 LYS A 102 -4.319 -1.661 10.317 1.00 2.42 H new ATOM 0 HZ1 LYS A 102 -6.255 -1.022 11.587 1.00 4.55 H new ATOM 0 HZ2 LYS A 102 -5.299 0.343 11.261 1.00 4.55 H new ATOM 0 HZ3 LYS A 102 -6.729 0.080 10.385 1.00 4.55 H new ATOM 1666 N LEU A 103 -2.798 1.047 3.828 1.00 1.03 N ATOM 1667 CA LEU A 103 -2.159 2.023 2.952 1.00 33.34 C ATOM 1668 C LEU A 103 -3.193 2.712 2.067 1.00 60.41 C ATOM 1669 O LEU A 103 -3.055 3.887 1.741 1.00 41.10 O ATOM 1670 CB LEU A 103 -1.101 1.332 2.104 1.00 71.31 C ATOM 1671 CG LEU A 103 -0.182 2.248 1.287 1.00 42.41 C ATOM 1672 CD1 LEU A 103 0.461 3.331 2.165 1.00 54.34 C ATOM 1673 CD2 LEU A 103 0.873 1.387 0.610 1.00 24.22 C ATOM 0 H LEU A 103 -2.542 0.079 3.636 1.00 1.03 H new ATOM 0 HA LEU A 103 -1.680 2.788 3.563 1.00 33.34 H new ATOM 0 HB2 LEU A 103 -0.481 0.722 2.761 1.00 71.31 H new ATOM 0 HB3 LEU A 103 -1.604 0.651 1.417 1.00 71.31 H new ATOM 0 HG LEU A 103 -0.769 2.772 0.533 1.00 42.41 H new ATOM 0 HD11 LEU A 103 1.105 3.961 1.552 1.00 54.34 H new ATOM 0 HD12 LEU A 103 -0.319 3.942 2.618 1.00 54.34 H new ATOM 0 HD13 LEU A 103 1.054 2.859 2.949 1.00 54.34 H new ATOM 0 HD21 LEU A 103 1.538 2.021 0.023 1.00 24.22 H new ATOM 0 HD22 LEU A 103 1.451 0.858 1.367 1.00 24.22 H new ATOM 0 HD23 LEU A 103 0.387 0.665 -0.046 1.00 24.22 H new ATOM 1685 N LEU A 104 -4.221 1.966 1.679 1.00 3.22 N ATOM 1686 CA LEU A 104 -5.358 2.529 0.968 1.00 24.34 C ATOM 1687 C LEU A 104 -6.078 3.548 1.837 1.00 43.42 C ATOM 1688 O LEU A 104 -6.427 4.635 1.384 1.00 12.25 O ATOM 1689 CB LEU A 104 -6.333 1.420 0.616 1.00 51.13 C ATOM 1690 CG LEU A 104 -7.639 1.865 -0.044 1.00 3.14 C ATOM 1691 CD1 LEU A 104 -7.378 2.489 -1.412 1.00 51.00 C ATOM 1692 CD2 LEU A 104 -8.600 0.687 -0.126 1.00 52.12 C ATOM 0 H LEU A 104 -4.288 0.962 1.848 1.00 3.22 H new ATOM 0 HA LEU A 104 -4.994 3.017 0.064 1.00 24.34 H new ATOM 0 HB2 LEU A 104 -5.831 0.719 -0.051 1.00 51.13 H new ATOM 0 HB3 LEU A 104 -6.576 0.874 1.527 1.00 51.13 H new ATOM 0 HG LEU A 104 -8.103 2.638 0.568 1.00 3.14 H new ATOM 0 HD11 LEU A 104 -8.324 2.796 -1.858 1.00 51.00 H new ATOM 0 HD12 LEU A 104 -6.731 3.359 -1.298 1.00 51.00 H new ATOM 0 HD13 LEU A 104 -6.892 1.758 -2.059 1.00 51.00 H new ATOM 0 HD21 LEU A 104 -9.529 1.008 -0.597 1.00 52.12 H new ATOM 0 HD22 LEU A 104 -8.149 -0.110 -0.718 1.00 52.12 H new ATOM 0 HD23 LEU A 104 -8.810 0.318 0.878 1.00 52.12 H new ATOM 1704 N ILE A 105 -6.309 3.178 3.078 1.00 40.31 N ATOM 1705 CA ILE A 105 -7.083 4.013 3.975 1.00 24.41 C ATOM 1706 C ILE A 105 -6.246 5.237 4.441 1.00 23.24 C ATOM 1707 O ILE A 105 -6.797 6.255 4.868 1.00 70.15 O ATOM 1708 CB ILE A 105 -7.526 3.292 5.189 1.00 4.43 C ATOM 1709 CG1 ILE A 105 -8.544 2.134 4.920 1.00 73.22 C ATOM 1710 CG2 ILE A 105 -8.203 4.231 6.383 1.00 51.25 C ATOM 1711 CD1 ILE A 105 -8.658 1.098 6.076 1.00 71.41 C ATOM 0 H ILE A 105 -5.974 2.307 3.489 1.00 40.31 H new ATOM 0 HA ILE A 105 -7.959 4.326 3.407 1.00 24.41 H new ATOM 0 HB ILE A 105 -6.570 2.899 5.535 1.00 4.43 H new ATOM 0 HG12 ILE A 105 -9.528 2.566 4.737 1.00 73.22 H new ATOM 0 HG13 ILE A 105 -8.251 1.613 4.009 1.00 73.22 H new ATOM 0 HG21 ILE A 105 -8.490 3.599 7.224 1.00 51.25 H new ATOM 0 HG22 ILE A 105 -7.478 4.973 6.718 1.00 51.25 H new ATOM 0 HG23 ILE A 105 -9.085 4.737 5.991 1.00 51.25 H new ATOM 0 HD11 ILE A 105 -9.384 0.331 5.807 1.00 71.41 H new ATOM 0 HD12 ILE A 105 -7.686 0.634 6.246 1.00 71.41 H new ATOM 0 HD13 ILE A 105 -8.983 1.602 6.986 1.00 71.41 H new ATOM 1723 N ILE A 106 -4.889 5.154 4.331 1.00 65.15 N ATOM 1724 CA ILE A 106 -4.019 6.346 4.513 1.00 40.01 C ATOM 1725 C ILE A 106 -4.127 7.213 3.257 1.00 11.45 C ATOM 1726 O ILE A 106 -4.461 8.405 3.342 1.00 61.11 O ATOM 1727 CB ILE A 106 -2.504 5.983 4.733 1.00 63.12 C ATOM 1728 CG1 ILE A 106 -2.309 5.365 6.107 1.00 64.45 C ATOM 1729 CG2 ILE A 106 -1.586 7.200 4.550 1.00 64.33 C ATOM 1730 CD1 ILE A 106 -0.901 5.495 6.708 1.00 32.43 C ATOM 0 H ILE A 106 -4.386 4.292 4.122 1.00 65.15 H new ATOM 0 HA ILE A 106 -4.361 6.865 5.408 1.00 40.01 H new ATOM 0 HB ILE A 106 -2.225 5.255 3.971 1.00 63.12 H new ATOM 0 HG12 ILE A 106 -3.020 5.823 6.794 1.00 64.45 H new ATOM 0 HG13 ILE A 106 -2.561 4.306 6.047 1.00 64.45 H new ATOM 0 HG21 ILE A 106 -0.550 6.902 4.711 1.00 64.33 H new ATOM 0 HG22 ILE A 106 -1.698 7.591 3.539 1.00 64.33 H new ATOM 0 HG23 ILE A 106 -1.858 7.972 5.270 1.00 64.33 H new ATOM 0 HD11 ILE A 106 -0.878 5.019 7.688 1.00 32.43 H new ATOM 0 HD12 ILE A 106 -0.179 5.009 6.052 1.00 32.43 H new ATOM 0 HD13 ILE A 106 -0.645 6.550 6.811 1.00 32.43 H new ATOM 1742 N ILE A 107 -3.853 6.615 2.077 1.00 54.40 N ATOM 1743 CA ILE A 107 -3.791 7.395 0.821 1.00 12.31 C ATOM 1744 C ILE A 107 -5.170 7.886 0.322 1.00 71.43 C ATOM 1745 O ILE A 107 -5.224 8.790 -0.504 1.00 71.13 O ATOM 1746 CB ILE A 107 -2.997 6.663 -0.333 1.00 43.33 C ATOM 1747 CG1 ILE A 107 -3.703 5.371 -0.807 1.00 54.23 C ATOM 1748 CG2 ILE A 107 -1.540 6.387 0.072 1.00 0.30 C ATOM 1749 CD1 ILE A 107 -4.882 5.764 -1.778 1.00 44.32 C ATOM 0 H ILE A 107 -3.675 5.617 1.967 1.00 54.40 H new ATOM 0 HA ILE A 107 -3.221 8.284 1.091 1.00 12.31 H new ATOM 0 HB ILE A 107 -2.983 7.345 -1.183 1.00 43.33 H new ATOM 0 HG12 ILE A 107 -2.994 4.719 -1.318 1.00 54.23 H new ATOM 0 HG13 ILE A 107 -4.088 4.815 0.048 1.00 54.23 H new ATOM 0 HG21 ILE A 107 -1.024 5.883 -0.745 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -1.038 7.330 0.291 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -1.523 5.752 0.958 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -5.388 4.861 -2.120 1.00 44.32 H new ATOM 0 HD12 ILE A 107 -5.592 6.400 -1.249 1.00 44.32 H new ATOM 0 HD13 ILE A 107 -4.482 6.303 -2.637 1.00 44.32 H new ATOM 1761 N SER A 108 -6.282 7.294 0.781 1.00 65.24 N ATOM 1762 CA SER A 108 -7.613 7.841 0.452 1.00 51.13 C ATOM 1763 C SER A 108 -8.573 7.709 1.608 1.00 42.23 C ATOM 1764 O SER A 108 -9.616 7.061 1.516 1.00 25.45 O ATOM 1765 CB SER A 108 -8.210 7.230 -0.812 1.00 61.23 C ATOM 1766 OG SER A 108 -7.551 7.736 -1.961 1.00 3.21 O ATOM 0 H SER A 108 -6.293 6.458 1.366 1.00 65.24 H new ATOM 0 HA SER A 108 -7.457 8.901 0.254 1.00 51.13 H new ATOM 0 HB2 SER A 108 -8.116 6.145 -0.779 1.00 61.23 H new ATOM 0 HB3 SER A 108 -9.275 7.456 -0.866 1.00 61.23 H new ATOM 0 HG SER A 108 -6.755 8.238 -1.687 1.00 3.21 H new