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 97 THR OG1 : rot -22:sc= 0.548 USER MOD Set 1.2: A 98 GLN : amide:sc= 0.0982 X(o=0.65,f=0.17) USER MOD Set 2.1: A 18 MET CE :methyl -113:sc= -0.397 (180deg=-1.24) USER MOD Set 2.2: A 60 SER OG : rot -170:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 17 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.0053) USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= -0.0394 (180deg=-0.189) USER MOD Single : A 26 THR OG1 : rot -76:sc= 1.18 USER MOD Single : A 29 TYR OH : rot 15:sc= 0.328 USER MOD Single : A 33 SER OG : rot -93:sc= 0.0827 USER MOD Single : A 43 SER OG : rot 10:sc= 0.2 USER MOD Single : A 46 HIS : no HE2:sc= -0.166 K(o=-0.17,f=-1.8) USER MOD Single : A 47 HIS : no HD1:sc= 0.122 K(o=0.12,f=-0.5) USER MOD Single : A 48 GLN : amide:sc=-0.00262 X(o=-0.0026,f=-0.0026) USER MOD Single : A 56 CYS SG : rot 150:sc= -0.0157 USER MOD Single : A 58 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 92:sc= 0.0301 USER MOD Single : A 69 TYR OH : rot 29:sc= -0.102 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.0448 X(o=0.045,f=-0.21) USER MOD Single : A 76 ASN : amide:sc= -0.903 K(o=-0.9,f=-2.6!) USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= -0.0715 (180deg=-0.315) USER MOD Single : A 82 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.11) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.00184 USER MOD Single : A 90 SER OG : rot 66:sc= 0.249 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 82:sc= 0.966 USER MOD ----------------------------------------------------------------- ATOM 217 N ALA A 14 -2.748 17.497 4.670 1.00 14.25 N ATOM 218 CA ALA A 14 -2.501 16.053 4.778 1.00 33.11 C ATOM 219 C ALA A 14 -1.016 15.710 4.576 1.00 72.35 C ATOM 220 O ALA A 14 -0.460 14.976 5.372 1.00 70.41 O ATOM 221 CB ALA A 14 -3.350 15.298 3.752 1.00 72.03 C ATOM 0 HA ALA A 14 -2.781 15.746 5.786 1.00 33.11 H new ATOM 0 HB1 ALA A 14 -3.160 14.228 3.839 1.00 72.03 H new ATOM 0 HB2 ALA A 14 -4.406 15.496 3.937 1.00 72.03 H new ATOM 0 HB3 ALA A 14 -3.089 15.632 2.748 1.00 72.03 H new ATOM 227 N THR A 15 -0.393 16.370 3.574 1.00 63.21 N ATOM 228 CA THR A 15 0.887 15.964 2.929 1.00 73.31 C ATOM 229 C THR A 15 1.996 15.518 3.924 1.00 43.24 C ATOM 230 O THR A 15 2.518 14.392 3.817 1.00 42.22 O ATOM 231 CB THR A 15 1.410 17.149 2.045 1.00 71.11 C ATOM 232 OG1 THR A 15 0.309 17.699 1.302 1.00 23.11 O ATOM 233 CG2 THR A 15 2.525 16.715 1.064 1.00 42.14 C ATOM 0 H THR A 15 -0.775 17.228 3.176 1.00 63.21 H new ATOM 0 HA THR A 15 0.665 15.084 2.325 1.00 73.31 H new ATOM 0 HB THR A 15 1.841 17.894 2.714 1.00 71.11 H new ATOM 0 HG1 THR A 15 0.627 18.442 0.748 1.00 23.11 H new ATOM 0 HG21 THR A 15 2.849 17.575 0.478 1.00 42.14 H new ATOM 0 HG22 THR A 15 3.371 16.320 1.626 1.00 42.14 H new ATOM 0 HG23 THR A 15 2.142 15.944 0.396 1.00 42.14 H new ATOM 241 N ALA A 16 2.308 16.400 4.897 1.00 64.35 N ATOM 242 CA ALA A 16 3.347 16.149 5.923 1.00 5.22 C ATOM 243 C ALA A 16 2.991 14.922 6.784 1.00 10.12 C ATOM 244 O ALA A 16 3.758 13.950 6.865 1.00 22.43 O ATOM 245 CB ALA A 16 3.542 17.391 6.809 1.00 42.34 C ATOM 0 H ALA A 16 1.849 17.305 4.995 1.00 64.35 H new ATOM 0 HA ALA A 16 4.284 15.939 5.408 1.00 5.22 H new ATOM 0 HB1 ALA A 16 4.309 17.188 7.557 1.00 42.34 H new ATOM 0 HB2 ALA A 16 3.852 18.234 6.191 1.00 42.34 H new ATOM 0 HB3 ALA A 16 2.604 17.633 7.308 1.00 42.34 H new ATOM 251 N GLN A 17 1.777 14.975 7.360 1.00 33.50 N ATOM 252 CA GLN A 17 1.269 13.949 8.290 1.00 75.32 C ATOM 253 C GLN A 17 1.081 12.599 7.578 1.00 1.44 C ATOM 254 O GLN A 17 1.286 11.554 8.165 1.00 32.10 O ATOM 255 CB GLN A 17 -0.076 14.427 8.908 1.00 71.04 C ATOM 256 CG GLN A 17 -0.020 15.809 9.595 1.00 23.34 C ATOM 257 CD GLN A 17 1.000 15.880 10.734 1.00 24.54 C ATOM 258 OE1 GLN A 17 0.677 15.644 11.898 1.00 70.34 O ATOM 259 NE2 GLN A 17 2.247 16.165 10.395 1.00 2.24 N ATOM 0 H GLN A 17 1.117 15.734 7.193 1.00 33.50 H new ATOM 0 HA GLN A 17 2.002 13.806 9.084 1.00 75.32 H new ATOM 0 HB2 GLN A 17 -0.830 14.459 8.121 1.00 71.04 H new ATOM 0 HB3 GLN A 17 -0.407 13.688 9.637 1.00 71.04 H new ATOM 0 HG2 GLN A 17 0.224 16.567 8.851 1.00 23.34 H new ATOM 0 HG3 GLN A 17 -1.008 16.053 9.986 1.00 23.34 H new ATOM 0 HE21 GLN A 17 2.480 16.356 9.420 1.00 2.24 H new ATOM 0 HE22 GLN A 17 2.975 16.194 11.108 1.00 2.24 H new ATOM 268 N MET A 18 0.719 12.673 6.291 1.00 25.42 N ATOM 269 CA MET A 18 0.433 11.510 5.433 1.00 33.01 C ATOM 270 C MET A 18 1.742 10.764 5.133 1.00 34.24 C ATOM 271 O MET A 18 1.790 9.541 5.197 1.00 52.55 O ATOM 272 CB MET A 18 -0.214 11.997 4.107 1.00 73.11 C ATOM 273 CG MET A 18 -0.560 10.899 3.092 1.00 71.54 C ATOM 274 SD MET A 18 -0.828 11.563 1.432 1.00 34.41 S ATOM 275 CE MET A 18 0.816 12.196 1.071 1.00 34.02 C ATOM 0 H MET A 18 0.614 13.563 5.803 1.00 25.42 H new ATOM 0 HA MET A 18 -0.255 10.836 5.943 1.00 33.01 H new ATOM 0 HB2 MET A 18 -1.126 12.543 4.348 1.00 73.11 H new ATOM 0 HB3 MET A 18 0.465 12.705 3.631 1.00 73.11 H new ATOM 0 HG2 MET A 18 0.247 10.167 3.063 1.00 71.54 H new ATOM 0 HG3 MET A 18 -1.456 10.373 3.420 1.00 71.54 H new ATOM 0 HE1 MET A 18 0.782 13.284 1.011 1.00 34.02 H new ATOM 0 HE2 MET A 18 1.503 11.898 1.863 1.00 34.02 H new ATOM 0 HE3 MET A 18 1.161 11.791 0.120 1.00 34.02 H new ATOM 285 N GLU A 19 2.791 11.546 4.808 1.00 21.43 N ATOM 286 CA GLU A 19 4.156 11.035 4.549 1.00 72.53 C ATOM 287 C GLU A 19 4.737 10.372 5.822 1.00 71.30 C ATOM 288 O GLU A 19 5.325 9.281 5.745 1.00 35.02 O ATOM 289 CB GLU A 19 5.032 12.217 4.021 1.00 41.30 C ATOM 290 CG GLU A 19 6.503 11.898 3.605 1.00 64.14 C ATOM 291 CD GLU A 19 7.501 11.907 4.776 1.00 71.44 C ATOM 292 OE1 GLU A 19 7.575 12.933 5.487 1.00 23.12 O ATOM 293 OE2 GLU A 19 8.210 10.903 5.000 1.00 13.21 O ATOM 0 H GLU A 19 2.716 12.559 4.717 1.00 21.43 H new ATOM 0 HA GLU A 19 4.140 10.256 3.786 1.00 72.53 H new ATOM 0 HB2 GLU A 19 4.526 12.651 3.159 1.00 41.30 H new ATOM 0 HB3 GLU A 19 5.061 12.985 4.794 1.00 41.30 H new ATOM 0 HG2 GLU A 19 6.530 10.919 3.126 1.00 64.14 H new ATOM 0 HG3 GLU A 19 6.825 12.626 2.861 1.00 64.14 H new ATOM 300 N GLU A 20 4.538 11.031 6.987 1.00 31.23 N ATOM 301 CA GLU A 20 4.965 10.502 8.305 1.00 3.34 C ATOM 302 C GLU A 20 4.247 9.168 8.638 1.00 73.50 C ATOM 303 O GLU A 20 4.894 8.173 9.020 1.00 33.21 O ATOM 304 CB GLU A 20 4.702 11.556 9.420 1.00 75.01 C ATOM 305 CG GLU A 20 5.539 12.847 9.268 1.00 4.04 C ATOM 306 CD GLU A 20 5.259 13.903 10.347 1.00 61.52 C ATOM 307 OE1 GLU A 20 5.522 13.629 11.541 1.00 73.12 O ATOM 308 OE2 GLU A 20 4.805 15.019 10.007 1.00 13.24 O ATOM 0 H GLU A 20 4.079 11.940 7.041 1.00 31.23 H new ATOM 0 HA GLU A 20 6.035 10.300 8.256 1.00 3.34 H new ATOM 0 HB2 GLU A 20 3.644 11.818 9.417 1.00 75.01 H new ATOM 0 HB3 GLU A 20 4.917 11.107 10.390 1.00 75.01 H new ATOM 0 HG2 GLU A 20 6.597 12.587 9.294 1.00 4.04 H new ATOM 0 HG3 GLU A 20 5.342 13.282 8.288 1.00 4.04 H new ATOM 315 N LYS A 21 2.915 9.155 8.454 1.00 62.24 N ATOM 316 CA LYS A 21 2.077 7.966 8.708 1.00 0.22 C ATOM 317 C LYS A 21 2.468 6.827 7.766 1.00 33.51 C ATOM 318 O LYS A 21 2.572 5.688 8.197 1.00 70.00 O ATOM 319 CB LYS A 21 0.559 8.307 8.570 1.00 74.32 C ATOM 320 CG LYS A 21 0.018 9.218 9.696 1.00 12.25 C ATOM 321 CD LYS A 21 -1.473 9.593 9.521 1.00 11.11 C ATOM 322 CE LYS A 21 -1.972 10.503 10.660 1.00 53.34 C ATOM 323 NZ LYS A 21 -1.762 9.892 12.012 1.00 70.43 N ATOM 0 H LYS A 21 2.389 9.965 8.126 1.00 62.24 H new ATOM 0 HA LYS A 21 2.251 7.640 9.733 1.00 0.22 H new ATOM 0 HB2 LYS A 21 0.392 8.794 7.610 1.00 74.32 H new ATOM 0 HB3 LYS A 21 -0.013 7.379 8.560 1.00 74.32 H new ATOM 0 HG2 LYS A 21 0.148 8.715 10.654 1.00 12.25 H new ATOM 0 HG3 LYS A 21 0.613 10.131 9.732 1.00 12.25 H new ATOM 0 HD2 LYS A 21 -1.611 10.098 8.565 1.00 11.11 H new ATOM 0 HD3 LYS A 21 -2.075 8.685 9.491 1.00 11.11 H new ATOM 0 HE2 LYS A 21 -1.452 11.460 10.612 1.00 53.34 H new ATOM 0 HE3 LYS A 21 -3.033 10.710 10.518 1.00 53.34 H new ATOM 0 HZ1 LYS A 21 -2.275 10.447 12.727 1.00 70.43 H new ATOM 0 HZ2 LYS A 21 -2.118 8.915 12.011 1.00 70.43 H new ATOM 0 HZ3 LYS A 21 -0.747 9.890 12.238 1.00 70.43 H new ATOM 337 N LEU A 22 2.742 7.175 6.493 1.00 61.13 N ATOM 338 CA LEU A 22 3.101 6.201 5.444 1.00 41.14 C ATOM 339 C LEU A 22 4.418 5.493 5.828 1.00 31.24 C ATOM 340 O LEU A 22 4.461 4.248 5.928 1.00 63.24 O ATOM 341 CB LEU A 22 3.215 6.942 4.062 1.00 53.45 C ATOM 342 CG LEU A 22 3.020 6.090 2.762 1.00 61.10 C ATOM 343 CD1 LEU A 22 2.915 7.009 1.523 1.00 34.53 C ATOM 344 CD2 LEU A 22 4.136 5.041 2.578 1.00 61.30 C ATOM 0 H LEU A 22 2.720 8.140 6.163 1.00 61.13 H new ATOM 0 HA LEU A 22 2.327 5.438 5.353 1.00 41.14 H new ATOM 0 HB2 LEU A 22 2.479 7.745 4.050 1.00 53.45 H new ATOM 0 HB3 LEU A 22 4.198 7.410 4.012 1.00 53.45 H new ATOM 0 HG LEU A 22 2.085 5.541 2.871 1.00 61.10 H new ATOM 0 HD11 LEU A 22 2.780 6.400 0.629 1.00 34.53 H new ATOM 0 HD12 LEU A 22 2.063 7.679 1.638 1.00 34.53 H new ATOM 0 HD13 LEU A 22 3.828 7.596 1.427 1.00 34.53 H new ATOM 0 HD21 LEU A 22 3.957 4.476 1.663 1.00 61.30 H new ATOM 0 HD22 LEU A 22 5.101 5.544 2.511 1.00 61.30 H new ATOM 0 HD23 LEU A 22 4.140 4.361 3.430 1.00 61.30 H new ATOM 356 N ARG A 23 5.466 6.303 6.076 1.00 15.14 N ATOM 357 CA ARG A 23 6.800 5.781 6.378 1.00 24.34 C ATOM 358 C ARG A 23 6.789 4.931 7.663 1.00 11.21 C ATOM 359 O ARG A 23 7.241 3.787 7.628 1.00 44.11 O ATOM 360 CB ARG A 23 7.871 6.904 6.441 1.00 30.02 C ATOM 361 CG ARG A 23 7.767 7.868 7.641 1.00 51.55 C ATOM 362 CD ARG A 23 8.899 8.910 7.708 1.00 72.45 C ATOM 363 NE ARG A 23 8.824 9.704 8.947 1.00 23.32 N ATOM 364 CZ ARG A 23 8.673 11.037 9.030 1.00 74.13 C ATOM 365 NH1 ARG A 23 8.549 11.782 7.931 1.00 1.54 N ATOM 366 NH2 ARG A 23 8.637 11.614 10.228 1.00 71.24 N ATOM 0 H ARG A 23 5.407 7.321 6.071 1.00 15.14 H new ATOM 0 HA ARG A 23 7.083 5.128 5.552 1.00 24.34 H new ATOM 0 HB2 ARG A 23 8.857 6.439 6.458 1.00 30.02 H new ATOM 0 HB3 ARG A 23 7.810 7.489 5.523 1.00 30.02 H new ATOM 0 HG2 ARG A 23 6.810 8.388 7.594 1.00 51.55 H new ATOM 0 HG3 ARG A 23 7.768 7.286 8.563 1.00 51.55 H new ATOM 0 HD2 ARG A 23 9.864 8.406 7.655 1.00 72.45 H new ATOM 0 HD3 ARG A 23 8.838 9.573 6.845 1.00 72.45 H new ATOM 0 HE ARG A 23 8.893 9.193 9.827 1.00 23.32 H new ATOM 0 HH11 ARG A 23 8.568 11.341 7.011 1.00 1.54 H new ATOM 0 HH12 ARG A 23 8.435 12.793 8.010 1.00 1.54 H new ATOM 0 HH21 ARG A 23 8.724 11.046 11.071 1.00 71.24 H new ATOM 0 HH22 ARG A 23 8.523 12.625 10.304 1.00 71.24 H new ATOM 380 N ASP A 24 6.195 5.452 8.762 1.00 44.24 N ATOM 381 CA ASP A 24 6.257 4.783 10.084 1.00 63.12 C ATOM 382 C ASP A 24 5.260 3.613 10.204 1.00 13.34 C ATOM 383 O ASP A 24 5.422 2.756 11.089 1.00 3.31 O ATOM 384 CB ASP A 24 6.114 5.797 11.251 1.00 64.12 C ATOM 385 CG ASP A 24 7.438 6.548 11.552 1.00 10.13 C ATOM 386 OD1 ASP A 24 8.297 5.990 12.282 1.00 51.53 O ATOM 387 OD2 ASP A 24 7.643 7.677 11.044 1.00 2.33 O ATOM 0 H ASP A 24 5.671 6.327 8.761 1.00 44.24 H new ATOM 0 HA ASP A 24 7.251 4.343 10.163 1.00 63.12 H new ATOM 0 HB2 ASP A 24 5.337 6.521 11.006 1.00 64.12 H new ATOM 0 HB3 ASP A 24 5.787 5.270 12.148 1.00 64.12 H new ATOM 392 N PHE A 25 4.245 3.586 9.328 1.00 31.20 N ATOM 393 CA PHE A 25 3.412 2.387 9.104 1.00 1.32 C ATOM 394 C PHE A 25 4.268 1.279 8.482 1.00 73.43 C ATOM 395 O PHE A 25 4.341 0.157 9.006 1.00 31.54 O ATOM 396 CB PHE A 25 2.215 2.743 8.182 1.00 42.41 C ATOM 397 CG PHE A 25 1.434 1.563 7.619 1.00 1.03 C ATOM 398 CD1 PHE A 25 0.607 0.797 8.441 1.00 60.54 C ATOM 399 CD2 PHE A 25 1.512 1.239 6.263 1.00 20.40 C ATOM 400 CE1 PHE A 25 -0.118 -0.248 7.926 1.00 21.31 C ATOM 401 CE2 PHE A 25 0.791 0.195 5.747 1.00 35.41 C ATOM 402 CZ PHE A 25 -0.031 -0.549 6.579 1.00 74.30 C ATOM 0 H PHE A 25 3.977 4.387 8.756 1.00 31.20 H new ATOM 0 HA PHE A 25 3.018 2.030 10.056 1.00 1.32 H new ATOM 0 HB2 PHE A 25 1.526 3.376 8.742 1.00 42.41 H new ATOM 0 HB3 PHE A 25 2.588 3.338 7.348 1.00 42.41 H new ATOM 0 HD1 PHE A 25 0.537 1.029 9.493 1.00 60.54 H new ATOM 0 HD2 PHE A 25 2.149 1.819 5.612 1.00 20.40 H new ATOM 0 HE1 PHE A 25 -0.755 -0.834 8.571 1.00 21.31 H new ATOM 0 HE2 PHE A 25 0.863 -0.047 4.697 1.00 35.41 H new ATOM 0 HZ PHE A 25 -0.606 -1.368 6.173 1.00 74.30 H new ATOM 412 N THR A 26 4.936 1.625 7.367 1.00 31.03 N ATOM 413 CA THR A 26 5.711 0.658 6.592 1.00 32.42 C ATOM 414 C THR A 26 7.056 0.295 7.280 1.00 71.25 C ATOM 415 O THR A 26 7.610 -0.752 6.977 1.00 11.43 O ATOM 416 CB THR A 26 5.909 1.141 5.120 1.00 62.35 C ATOM 417 OG1 THR A 26 6.574 2.414 5.095 1.00 70.33 O ATOM 418 CG2 THR A 26 4.573 1.244 4.354 1.00 35.22 C ATOM 0 H THR A 26 4.950 2.572 6.987 1.00 31.03 H new ATOM 0 HA THR A 26 5.132 -0.265 6.554 1.00 32.42 H new ATOM 0 HB THR A 26 6.525 0.392 4.621 1.00 62.35 H new ATOM 0 HG1 THR A 26 5.941 3.119 5.346 1.00 70.33 H new ATOM 0 HG21 THR A 26 4.763 1.584 3.336 1.00 35.22 H new ATOM 0 HG22 THR A 26 4.093 0.266 4.327 1.00 35.22 H new ATOM 0 HG23 THR A 26 3.919 1.955 4.858 1.00 35.22 H new ATOM 426 N ARG A 27 7.525 1.124 8.256 1.00 43.41 N ATOM 427 CA ARG A 27 8.768 0.842 9.062 1.00 34.34 C ATOM 428 C ARG A 27 8.688 -0.515 9.786 1.00 44.55 C ATOM 429 O ARG A 27 9.713 -1.155 10.041 1.00 55.35 O ATOM 430 CB ARG A 27 9.006 1.960 10.127 1.00 2.43 C ATOM 431 CG ARG A 27 9.527 3.322 9.591 1.00 23.10 C ATOM 432 CD ARG A 27 11.058 3.441 9.495 1.00 1.33 C ATOM 433 NE ARG A 27 11.461 4.738 8.897 1.00 42.14 N ATOM 434 CZ ARG A 27 11.381 5.946 9.500 1.00 10.24 C ATOM 435 NH1 ARG A 27 10.911 6.072 10.739 1.00 1.15 N ATOM 436 NH2 ARG A 27 11.717 7.038 8.832 1.00 74.41 N ATOM 0 H ARG A 27 7.065 1.998 8.510 1.00 43.41 H new ATOM 0 HA ARG A 27 9.597 0.817 8.355 1.00 34.34 H new ATOM 0 HB2 ARG A 27 8.068 2.136 10.654 1.00 2.43 H new ATOM 0 HB3 ARG A 27 9.719 1.586 10.862 1.00 2.43 H new ATOM 0 HG2 ARG A 27 9.102 3.493 8.602 1.00 23.10 H new ATOM 0 HG3 ARG A 27 9.156 4.116 10.239 1.00 23.10 H new ATOM 0 HD2 ARG A 27 11.496 3.345 10.489 1.00 1.33 H new ATOM 0 HD3 ARG A 27 11.452 2.622 8.893 1.00 1.33 H new ATOM 0 HE ARG A 27 11.831 4.717 7.947 1.00 42.14 H new ATOM 0 HH11 ARG A 27 10.602 5.247 11.254 1.00 1.15 H new ATOM 0 HH12 ARG A 27 10.860 6.993 11.174 1.00 1.15 H new ATOM 0 HH21 ARG A 27 12.035 6.967 7.865 1.00 74.41 H new ATOM 0 HH22 ARG A 27 11.658 7.951 9.284 1.00 74.41 H new ATOM 450 N ALA A 28 7.444 -0.913 10.124 1.00 23.23 N ATOM 451 CA ALA A 28 7.138 -2.194 10.797 1.00 50.22 C ATOM 452 C ALA A 28 7.655 -3.414 9.991 1.00 0.02 C ATOM 453 O ALA A 28 7.942 -4.469 10.566 1.00 54.02 O ATOM 454 CB ALA A 28 5.616 -2.292 11.023 1.00 13.44 C ATOM 0 H ALA A 28 6.615 -0.349 9.936 1.00 23.23 H new ATOM 0 HA ALA A 28 7.656 -2.212 11.756 1.00 50.22 H new ATOM 0 HB1 ALA A 28 5.382 -3.234 11.519 1.00 13.44 H new ATOM 0 HB2 ALA A 28 5.287 -1.461 11.647 1.00 13.44 H new ATOM 0 HB3 ALA A 28 5.102 -2.250 10.063 1.00 13.44 H new ATOM 460 N TYR A 29 7.757 -3.237 8.654 1.00 53.43 N ATOM 461 CA TYR A 29 8.237 -4.255 7.700 1.00 74.11 C ATOM 462 C TYR A 29 9.228 -3.588 6.707 1.00 2.53 C ATOM 463 O TYR A 29 10.427 -3.580 6.978 1.00 4.04 O ATOM 464 CB TYR A 29 7.022 -4.966 6.966 1.00 63.21 C ATOM 465 CG TYR A 29 5.636 -4.368 7.282 1.00 51.55 C ATOM 466 CD1 TYR A 29 5.223 -3.173 6.694 1.00 34.12 C ATOM 467 CD2 TYR A 29 4.776 -4.971 8.206 1.00 60.34 C ATOM 468 CE1 TYR A 29 4.012 -2.607 7.011 1.00 5.50 C ATOM 469 CE2 TYR A 29 3.561 -4.408 8.516 1.00 65.43 C ATOM 470 CZ TYR A 29 3.184 -3.225 7.921 1.00 34.13 C ATOM 471 OH TYR A 29 1.979 -2.658 8.241 1.00 24.14 O ATOM 0 H TYR A 29 7.501 -2.360 8.201 1.00 53.43 H new ATOM 0 HA TYR A 29 8.768 -5.043 8.234 1.00 74.11 H new ATOM 0 HB2 TYR A 29 7.187 -4.916 5.890 1.00 63.21 H new ATOM 0 HB3 TYR A 29 7.018 -6.021 7.239 1.00 63.21 H new ATOM 0 HD1 TYR A 29 5.866 -2.684 5.977 1.00 34.12 H new ATOM 0 HD2 TYR A 29 5.071 -5.894 8.683 1.00 60.34 H new ATOM 0 HE1 TYR A 29 3.710 -1.679 6.547 1.00 5.50 H new ATOM 0 HE2 TYR A 29 2.904 -4.892 9.224 1.00 65.43 H new ATOM 0 HH TYR A 29 1.756 -1.970 7.580 1.00 24.14 H new ATOM 481 N GLU A 30 8.683 -2.987 5.603 1.00 52.15 N ATOM 482 CA GLU A 30 9.422 -2.313 4.473 1.00 14.22 C ATOM 483 C GLU A 30 10.517 -3.210 3.799 1.00 63.05 C ATOM 484 O GLU A 30 11.126 -4.052 4.456 1.00 71.32 O ATOM 485 CB GLU A 30 9.969 -0.884 4.853 1.00 54.12 C ATOM 486 CG GLU A 30 11.227 -0.813 5.736 1.00 31.31 C ATOM 487 CD GLU A 30 11.756 0.626 5.868 1.00 4.23 C ATOM 488 OE1 GLU A 30 11.300 1.364 6.771 1.00 32.12 O ATOM 489 OE2 GLU A 30 12.590 1.038 5.034 1.00 50.23 O ATOM 0 H GLU A 30 7.673 -2.955 5.466 1.00 52.15 H new ATOM 0 HA GLU A 30 8.662 -2.159 3.707 1.00 14.22 H new ATOM 0 HB2 GLU A 30 10.178 -0.347 3.927 1.00 54.12 H new ATOM 0 HB3 GLU A 30 9.171 -0.343 5.362 1.00 54.12 H new ATOM 0 HG2 GLU A 30 10.998 -1.208 6.726 1.00 31.31 H new ATOM 0 HG3 GLU A 30 12.005 -1.448 5.312 1.00 31.31 H new ATOM 496 N PRO A 31 10.815 -3.034 2.459 1.00 3.21 N ATOM 497 CA PRO A 31 11.531 -4.060 1.661 1.00 42.04 C ATOM 498 C PRO A 31 13.074 -3.974 1.759 1.00 44.21 C ATOM 499 O PRO A 31 13.781 -4.054 0.748 1.00 43.15 O ATOM 500 CB PRO A 31 10.996 -3.761 0.243 1.00 25.14 C ATOM 501 CG PRO A 31 10.832 -2.267 0.197 1.00 61.21 C ATOM 502 CD PRO A 31 10.548 -1.819 1.627 1.00 70.14 C ATOM 0 HA PRO A 31 11.349 -5.079 2.004 1.00 42.04 H new ATOM 0 HB2 PRO A 31 11.692 -4.106 -0.522 1.00 25.14 H new ATOM 0 HB3 PRO A 31 10.048 -4.268 0.064 1.00 25.14 H new ATOM 0 HG2 PRO A 31 11.733 -1.789 -0.188 1.00 61.21 H new ATOM 0 HG3 PRO A 31 10.014 -1.987 -0.467 1.00 61.21 H new ATOM 0 HD2 PRO A 31 11.192 -0.989 1.918 1.00 70.14 H new ATOM 0 HD3 PRO A 31 9.519 -1.479 1.740 1.00 70.14 H new ATOM 510 N ASP A 32 13.580 -3.820 2.989 1.00 43.22 N ATOM 511 CA ASP A 32 15.015 -3.948 3.299 1.00 61.23 C ATOM 512 C ASP A 32 15.332 -5.415 3.607 1.00 53.51 C ATOM 513 O ASP A 32 16.252 -5.997 3.019 1.00 12.42 O ATOM 514 CB ASP A 32 15.402 -3.028 4.499 1.00 21.11 C ATOM 515 CG ASP A 32 16.867 -3.194 4.957 1.00 43.23 C ATOM 516 OD1 ASP A 32 17.761 -2.550 4.361 1.00 42.21 O ATOM 517 OD2 ASP A 32 17.138 -3.990 5.892 1.00 65.34 O ATOM 0 H ASP A 32 13.005 -3.602 3.803 1.00 43.22 H new ATOM 0 HA ASP A 32 15.603 -3.629 2.438 1.00 61.23 H new ATOM 0 HB2 ASP A 32 15.233 -1.988 4.218 1.00 21.11 H new ATOM 0 HB3 ASP A 32 14.741 -3.243 5.339 1.00 21.11 H new ATOM 522 N SER A 33 14.539 -6.015 4.515 1.00 61.40 N ATOM 523 CA SER A 33 14.793 -7.381 5.002 1.00 51.20 C ATOM 524 C SER A 33 13.511 -8.119 5.446 1.00 2.55 C ATOM 525 O SER A 33 13.615 -9.177 6.087 1.00 73.32 O ATOM 526 CB SER A 33 15.823 -7.330 6.162 1.00 4.31 C ATOM 527 OG SER A 33 15.446 -6.378 7.143 1.00 13.14 O ATOM 0 H SER A 33 13.716 -5.573 4.926 1.00 61.40 H new ATOM 0 HA SER A 33 15.195 -7.954 4.167 1.00 51.20 H new ATOM 0 HB2 SER A 33 15.906 -8.315 6.621 1.00 4.31 H new ATOM 0 HB3 SER A 33 16.807 -7.078 5.767 1.00 4.31 H new ATOM 0 HG SER A 33 15.876 -5.519 6.948 1.00 13.14 H new ATOM 533 N VAL A 34 12.309 -7.597 5.106 1.00 44.25 N ATOM 534 CA VAL A 34 11.036 -8.324 5.354 1.00 72.03 C ATOM 535 C VAL A 34 10.870 -9.455 4.324 1.00 61.10 C ATOM 536 O VAL A 34 11.288 -9.323 3.169 1.00 1.11 O ATOM 537 CB VAL A 34 9.769 -7.373 5.363 1.00 52.01 C ATOM 538 CG1 VAL A 34 9.509 -6.689 4.003 1.00 31.35 C ATOM 539 CG2 VAL A 34 8.493 -8.111 5.861 1.00 30.41 C ATOM 0 H VAL A 34 12.191 -6.685 4.664 1.00 44.25 H new ATOM 0 HA VAL A 34 11.098 -8.751 6.355 1.00 72.03 H new ATOM 0 HB VAL A 34 10.006 -6.581 6.073 1.00 52.01 H new ATOM 0 HG11 VAL A 34 8.628 -6.052 4.079 1.00 31.35 H new ATOM 0 HG12 VAL A 34 10.372 -6.082 3.730 1.00 31.35 H new ATOM 0 HG13 VAL A 34 9.343 -7.449 3.239 1.00 31.35 H new ATOM 0 HG21 VAL A 34 7.648 -7.423 5.852 1.00 30.41 H new ATOM 0 HG22 VAL A 34 8.281 -8.955 5.205 1.00 30.41 H new ATOM 0 HG23 VAL A 34 8.655 -8.473 6.876 1.00 30.41 H new ATOM 549 N LEU A 35 10.270 -10.566 4.776 1.00 33.15 N ATOM 550 CA LEU A 35 10.053 -11.769 3.947 1.00 63.11 C ATOM 551 C LEU A 35 8.944 -11.504 2.890 1.00 40.22 C ATOM 552 O LEU A 35 8.009 -10.736 3.166 1.00 50.10 O ATOM 553 CB LEU A 35 9.706 -13.005 4.848 1.00 11.23 C ATOM 554 CG LEU A 35 10.869 -13.583 5.744 1.00 24.25 C ATOM 555 CD1 LEU A 35 11.211 -12.652 6.928 1.00 73.12 C ATOM 556 CD2 LEU A 35 10.533 -15.018 6.239 1.00 61.43 C ATOM 0 H LEU A 35 9.919 -10.659 5.729 1.00 33.15 H new ATOM 0 HA LEU A 35 10.975 -11.999 3.413 1.00 63.11 H new ATOM 0 HB2 LEU A 35 8.880 -12.727 5.502 1.00 11.23 H new ATOM 0 HB3 LEU A 35 9.345 -13.805 4.202 1.00 11.23 H new ATOM 0 HG LEU A 35 11.758 -13.639 5.116 1.00 24.25 H new ATOM 0 HD11 LEU A 35 12.017 -13.092 7.516 1.00 73.12 H new ATOM 0 HD12 LEU A 35 11.528 -11.681 6.548 1.00 73.12 H new ATOM 0 HD13 LEU A 35 10.330 -12.525 7.557 1.00 73.12 H new ATOM 0 HD21 LEU A 35 11.352 -15.392 6.854 1.00 61.43 H new ATOM 0 HD22 LEU A 35 9.617 -14.994 6.829 1.00 61.43 H new ATOM 0 HD23 LEU A 35 10.394 -15.676 5.381 1.00 61.43 H new ATOM 568 N PRO A 36 9.027 -12.144 1.665 1.00 11.25 N ATOM 569 CA PRO A 36 8.155 -11.804 0.508 1.00 20.13 C ATOM 570 C PRO A 36 6.721 -12.377 0.597 1.00 13.51 C ATOM 571 O PRO A 36 5.855 -11.905 -0.132 1.00 73.22 O ATOM 572 CB PRO A 36 8.927 -12.443 -0.680 1.00 23.31 C ATOM 573 CG PRO A 36 9.550 -13.668 -0.091 1.00 42.03 C ATOM 574 CD PRO A 36 9.980 -13.251 1.306 1.00 55.25 C ATOM 0 HA PRO A 36 7.989 -10.729 0.433 1.00 20.13 H new ATOM 0 HB2 PRO A 36 8.257 -12.692 -1.503 1.00 23.31 H new ATOM 0 HB3 PRO A 36 9.681 -11.764 -1.077 1.00 23.31 H new ATOM 0 HG2 PRO A 36 8.841 -14.495 -0.056 1.00 42.03 H new ATOM 0 HG3 PRO A 36 10.401 -14.003 -0.684 1.00 42.03 H new ATOM 0 HD2 PRO A 36 9.911 -14.081 2.009 1.00 55.25 H new ATOM 0 HD3 PRO A 36 11.014 -12.907 1.319 1.00 55.25 H new ATOM 582 N LEU A 37 6.499 -13.342 1.534 1.00 23.11 N ATOM 583 CA LEU A 37 5.307 -14.236 1.587 1.00 44.12 C ATOM 584 C LEU A 37 5.435 -15.325 0.500 1.00 64.11 C ATOM 585 O LEU A 37 5.068 -15.110 -0.662 1.00 41.01 O ATOM 586 CB LEU A 37 3.932 -13.489 1.491 1.00 51.22 C ATOM 587 CG LEU A 37 3.585 -12.511 2.663 1.00 54.44 C ATOM 588 CD1 LEU A 37 2.376 -11.628 2.281 1.00 64.13 C ATOM 589 CD2 LEU A 37 3.337 -13.281 3.985 1.00 63.14 C ATOM 0 H LEU A 37 7.159 -13.523 2.290 1.00 23.11 H new ATOM 0 HA LEU A 37 5.300 -14.694 2.576 1.00 44.12 H new ATOM 0 HB2 LEU A 37 3.915 -12.924 0.559 1.00 51.22 H new ATOM 0 HB3 LEU A 37 3.141 -14.237 1.425 1.00 51.22 H new ATOM 0 HG LEU A 37 4.441 -11.858 2.833 1.00 54.44 H new ATOM 0 HD11 LEU A 37 2.144 -10.952 3.104 1.00 64.13 H new ATOM 0 HD12 LEU A 37 2.617 -11.047 1.391 1.00 64.13 H new ATOM 0 HD13 LEU A 37 1.513 -12.261 2.078 1.00 64.13 H new ATOM 0 HD21 LEU A 37 3.098 -12.573 4.779 1.00 63.14 H new ATOM 0 HD22 LEU A 37 2.505 -13.972 3.853 1.00 63.14 H new ATOM 0 HD23 LEU A 37 4.233 -13.840 4.254 1.00 63.14 H new ATOM 601 N ALA A 38 6.045 -16.457 0.906 1.00 50.42 N ATOM 602 CA ALA A 38 6.183 -17.686 0.098 1.00 44.05 C ATOM 603 C ALA A 38 7.008 -17.468 -1.195 1.00 1.23 C ATOM 604 O ALA A 38 8.231 -17.330 -1.123 1.00 50.30 O ATOM 605 CB ALA A 38 4.800 -18.331 -0.185 1.00 52.23 C ATOM 0 H ALA A 38 6.467 -16.544 1.831 1.00 50.42 H new ATOM 0 HA ALA A 38 6.757 -18.394 0.695 1.00 44.05 H new ATOM 0 HB1 ALA A 38 4.935 -19.233 -0.781 1.00 52.23 H new ATOM 0 HB2 ALA A 38 4.319 -18.588 0.758 1.00 52.23 H new ATOM 0 HB3 ALA A 38 4.174 -17.625 -0.731 1.00 52.23 H new ATOM 611 N ASP A 39 6.315 -17.386 -2.348 1.00 53.23 N ATOM 612 CA ASP A 39 6.919 -17.383 -3.694 1.00 21.21 C ATOM 613 C ASP A 39 5.840 -16.949 -4.704 1.00 53.05 C ATOM 614 O ASP A 39 4.637 -17.141 -4.451 1.00 42.31 O ATOM 615 CB ASP A 39 7.511 -18.795 -4.094 1.00 13.33 C ATOM 616 CG ASP A 39 9.051 -18.883 -3.993 1.00 2.43 C ATOM 617 OD1 ASP A 39 9.732 -18.508 -4.973 1.00 41.24 O ATOM 618 OD2 ASP A 39 9.585 -19.333 -2.952 1.00 63.12 O ATOM 0 H ASP A 39 5.297 -17.319 -2.369 1.00 53.23 H new ATOM 0 HA ASP A 39 7.757 -16.686 -3.698 1.00 21.21 H new ATOM 0 HB2 ASP A 39 7.071 -19.557 -3.451 1.00 13.33 H new ATOM 0 HB3 ASP A 39 7.210 -19.027 -5.116 1.00 13.33 H new ATOM 623 N GLY A 40 6.285 -16.366 -5.834 1.00 74.04 N ATOM 624 CA GLY A 40 5.410 -16.056 -6.974 1.00 71.12 C ATOM 625 C GLY A 40 4.268 -15.085 -6.666 1.00 21.41 C ATOM 626 O GLY A 40 4.490 -13.883 -6.629 1.00 63.24 O ATOM 0 H GLY A 40 7.259 -16.099 -5.979 1.00 74.04 H new ATOM 0 HA2 GLY A 40 6.018 -15.636 -7.776 1.00 71.12 H new ATOM 0 HA3 GLY A 40 4.985 -16.986 -7.350 1.00 71.12 H new ATOM 630 N VAL A 41 3.062 -15.635 -6.401 1.00 11.53 N ATOM 631 CA VAL A 41 1.800 -14.860 -6.293 1.00 31.41 C ATOM 632 C VAL A 41 1.806 -13.895 -5.082 1.00 31.52 C ATOM 633 O VAL A 41 1.629 -12.684 -5.233 1.00 33.24 O ATOM 634 CB VAL A 41 0.563 -15.828 -6.186 1.00 4.30 C ATOM 635 CG1 VAL A 41 -0.777 -15.050 -6.155 1.00 42.12 C ATOM 636 CG2 VAL A 41 0.575 -16.882 -7.320 1.00 14.22 C ATOM 0 H VAL A 41 2.933 -16.636 -6.255 1.00 11.53 H new ATOM 0 HA VAL A 41 1.721 -14.261 -7.200 1.00 31.41 H new ATOM 0 HB VAL A 41 0.650 -16.358 -5.237 1.00 4.30 H new ATOM 0 HG11 VAL A 41 -1.605 -15.755 -6.081 1.00 42.12 H new ATOM 0 HG12 VAL A 41 -0.790 -14.382 -5.293 1.00 42.12 H new ATOM 0 HG13 VAL A 41 -0.879 -14.465 -7.069 1.00 42.12 H new ATOM 0 HG21 VAL A 41 -0.292 -17.535 -7.219 1.00 14.22 H new ATOM 0 HG22 VAL A 41 0.538 -16.378 -8.286 1.00 14.22 H new ATOM 0 HG23 VAL A 41 1.487 -17.476 -7.255 1.00 14.22 H new ATOM 646 N LEU A 42 2.002 -14.454 -3.882 1.00 52.43 N ATOM 647 CA LEU A 42 1.973 -13.679 -2.622 1.00 40.21 C ATOM 648 C LEU A 42 3.194 -12.753 -2.509 1.00 13.31 C ATOM 649 O LEU A 42 3.101 -11.664 -1.919 1.00 22.44 O ATOM 650 CB LEU A 42 1.882 -14.640 -1.418 1.00 44.01 C ATOM 651 CG LEU A 42 0.572 -15.485 -1.329 1.00 15.25 C ATOM 652 CD1 LEU A 42 0.700 -16.567 -0.238 1.00 11.43 C ATOM 653 CD2 LEU A 42 -0.664 -14.574 -1.093 1.00 64.23 C ATOM 0 H LEU A 42 2.184 -15.449 -3.750 1.00 52.43 H new ATOM 0 HA LEU A 42 1.089 -13.042 -2.624 1.00 40.21 H new ATOM 0 HB2 LEU A 42 2.732 -15.322 -1.455 1.00 44.01 H new ATOM 0 HB3 LEU A 42 1.981 -14.057 -0.502 1.00 44.01 H new ATOM 0 HG LEU A 42 0.422 -15.991 -2.283 1.00 15.25 H new ATOM 0 HD11 LEU A 42 -0.222 -17.146 -0.190 1.00 11.43 H new ATOM 0 HD12 LEU A 42 1.532 -17.229 -0.478 1.00 11.43 H new ATOM 0 HD13 LEU A 42 0.881 -16.092 0.726 1.00 11.43 H new ATOM 0 HD21 LEU A 42 -1.563 -15.188 -1.035 1.00 64.23 H new ATOM 0 HD22 LEU A 42 -0.539 -14.025 -0.160 1.00 64.23 H new ATOM 0 HD23 LEU A 42 -0.759 -13.869 -1.919 1.00 64.23 H new ATOM 665 N SER A 43 4.320 -13.194 -3.105 1.00 71.21 N ATOM 666 CA SER A 43 5.535 -12.375 -3.213 1.00 2.52 C ATOM 667 C SER A 43 5.277 -11.143 -4.092 1.00 43.40 C ATOM 668 O SER A 43 5.684 -10.032 -3.745 1.00 63.41 O ATOM 669 CB SER A 43 6.693 -13.223 -3.771 1.00 61.31 C ATOM 670 OG SER A 43 6.986 -14.307 -2.906 1.00 71.51 O ATOM 0 H SER A 43 4.409 -14.121 -3.521 1.00 71.21 H new ATOM 0 HA SER A 43 5.815 -12.023 -2.220 1.00 2.52 H new ATOM 0 HB2 SER A 43 6.430 -13.601 -4.759 1.00 61.31 H new ATOM 0 HB3 SER A 43 7.579 -12.600 -3.894 1.00 61.31 H new ATOM 0 HG SER A 43 6.285 -14.381 -2.225 1.00 71.51 H new ATOM 676 N PHE A 44 4.542 -11.378 -5.196 1.00 53.25 N ATOM 677 CA PHE A 44 4.102 -10.342 -6.146 1.00 25.20 C ATOM 678 C PHE A 44 3.243 -9.303 -5.427 1.00 64.33 C ATOM 679 O PHE A 44 3.569 -8.128 -5.441 1.00 64.01 O ATOM 680 CB PHE A 44 3.337 -11.036 -7.313 1.00 25.34 C ATOM 681 CG PHE A 44 2.591 -10.138 -8.305 1.00 13.24 C ATOM 682 CD1 PHE A 44 3.240 -9.601 -9.413 1.00 13.22 C ATOM 683 CD2 PHE A 44 1.225 -9.874 -8.147 1.00 1.12 C ATOM 684 CE1 PHE A 44 2.554 -8.833 -10.326 1.00 62.30 C ATOM 685 CE2 PHE A 44 0.542 -9.098 -9.057 1.00 11.53 C ATOM 686 CZ PHE A 44 1.204 -8.578 -10.149 1.00 43.13 C ATOM 0 H PHE A 44 4.232 -12.314 -5.456 1.00 53.25 H new ATOM 0 HA PHE A 44 4.958 -9.810 -6.562 1.00 25.20 H new ATOM 0 HB2 PHE A 44 4.053 -11.635 -7.875 1.00 25.34 H new ATOM 0 HB3 PHE A 44 2.616 -11.727 -6.878 1.00 25.34 H new ATOM 0 HD1 PHE A 44 4.294 -9.789 -9.558 1.00 13.22 H new ATOM 0 HD2 PHE A 44 0.699 -10.285 -7.298 1.00 1.12 H new ATOM 0 HE1 PHE A 44 3.070 -8.428 -11.184 1.00 62.30 H new ATOM 0 HE2 PHE A 44 -0.510 -8.897 -8.916 1.00 11.53 H new ATOM 0 HZ PHE A 44 0.670 -7.972 -10.866 1.00 43.13 H new ATOM 696 N ILE A 45 2.191 -9.779 -4.745 1.00 52.33 N ATOM 697 CA ILE A 45 1.200 -8.920 -4.056 1.00 72.10 C ATOM 698 C ILE A 45 1.880 -8.045 -2.972 1.00 65.11 C ATOM 699 O ILE A 45 1.707 -6.815 -2.979 1.00 3.34 O ATOM 700 CB ILE A 45 0.059 -9.819 -3.439 1.00 22.01 C ATOM 701 CG1 ILE A 45 -0.700 -10.572 -4.586 1.00 52.13 C ATOM 702 CG2 ILE A 45 -0.918 -9.000 -2.556 1.00 13.43 C ATOM 703 CD1 ILE A 45 -1.717 -11.602 -4.121 1.00 53.13 C ATOM 0 H ILE A 45 1.997 -10.776 -4.652 1.00 52.33 H new ATOM 0 HA ILE A 45 0.753 -8.241 -4.782 1.00 72.10 H new ATOM 0 HB ILE A 45 0.524 -10.553 -2.781 1.00 22.01 H new ATOM 0 HG12 ILE A 45 -1.210 -9.836 -5.207 1.00 52.13 H new ATOM 0 HG13 ILE A 45 0.034 -11.070 -5.220 1.00 52.13 H new ATOM 0 HG21 ILE A 45 -1.686 -9.661 -2.153 1.00 13.43 H new ATOM 0 HG22 ILE A 45 -0.368 -8.540 -1.735 1.00 13.43 H new ATOM 0 HG23 ILE A 45 -1.388 -8.222 -3.158 1.00 13.43 H new ATOM 0 HD11 ILE A 45 -2.187 -12.066 -4.988 1.00 53.13 H new ATOM 0 HD12 ILE A 45 -1.215 -12.366 -3.527 1.00 53.13 H new ATOM 0 HD13 ILE A 45 -2.479 -11.113 -3.514 1.00 53.13 H new ATOM 715 N HIS A 46 2.663 -8.690 -2.076 1.00 4.53 N ATOM 716 CA HIS A 46 3.482 -7.991 -1.044 1.00 23.24 C ATOM 717 C HIS A 46 4.392 -6.924 -1.705 1.00 20.41 C ATOM 718 O HIS A 46 4.468 -5.779 -1.236 1.00 52.33 O ATOM 719 CB HIS A 46 4.328 -9.044 -0.261 1.00 55.32 C ATOM 720 CG HIS A 46 5.372 -8.510 0.710 1.00 20.03 C ATOM 721 ND1 HIS A 46 5.246 -8.600 2.077 1.00 2.23 N ATOM 722 CD2 HIS A 46 6.582 -7.940 0.491 1.00 55.32 C ATOM 723 CE1 HIS A 46 6.322 -8.098 2.654 1.00 41.31 C ATOM 724 NE2 HIS A 46 7.147 -7.697 1.714 1.00 44.01 N ATOM 0 H HIS A 46 2.748 -9.706 -2.044 1.00 4.53 H new ATOM 0 HA HIS A 46 2.824 -7.475 -0.344 1.00 23.24 H new ATOM 0 HB2 HIS A 46 3.642 -9.682 0.296 1.00 55.32 H new ATOM 0 HB3 HIS A 46 4.835 -9.679 -0.988 1.00 55.32 H new ATOM 0 HD1 HIS A 46 4.444 -8.994 2.569 1.00 2.23 H new ATOM 0 HD2 HIS A 46 7.020 -7.718 -0.471 1.00 55.32 H new ATOM 0 HE1 HIS A 46 6.495 -8.029 3.718 1.00 41.31 H new ATOM 733 N HIS A 47 5.051 -7.334 -2.807 1.00 51.52 N ATOM 734 CA HIS A 47 5.971 -6.483 -3.595 1.00 10.30 C ATOM 735 C HIS A 47 5.244 -5.231 -4.111 1.00 42.32 C ATOM 736 O HIS A 47 5.756 -4.128 -3.986 1.00 75.11 O ATOM 737 CB HIS A 47 6.557 -7.323 -4.772 1.00 33.22 C ATOM 738 CG HIS A 47 7.525 -6.622 -5.695 1.00 1.31 C ATOM 739 ND1 HIS A 47 7.579 -6.889 -7.044 1.00 1.22 N ATOM 740 CD2 HIS A 47 8.486 -5.707 -5.458 1.00 35.01 C ATOM 741 CE1 HIS A 47 8.532 -6.171 -7.596 1.00 75.15 C ATOM 742 NE2 HIS A 47 9.097 -5.447 -6.657 1.00 75.15 N ATOM 0 H HIS A 47 4.959 -8.278 -3.182 1.00 51.52 H new ATOM 0 HA HIS A 47 6.789 -6.143 -2.960 1.00 10.30 H new ATOM 0 HB2 HIS A 47 7.060 -8.193 -4.350 1.00 33.22 H new ATOM 0 HB3 HIS A 47 5.725 -7.694 -5.371 1.00 33.22 H new ATOM 0 HD2 HIS A 47 8.729 -5.263 -4.504 1.00 35.01 H new ATOM 0 HE1 HIS A 47 8.803 -6.176 -8.641 1.00 75.15 H new ATOM 0 HE2 HIS A 47 9.868 -4.795 -6.798 1.00 75.15 H new ATOM 751 N GLN A 48 4.018 -5.414 -4.643 1.00 61.25 N ATOM 752 CA GLN A 48 3.246 -4.311 -5.242 1.00 61.32 C ATOM 753 C GLN A 48 2.781 -3.317 -4.163 1.00 22.21 C ATOM 754 O GLN A 48 2.971 -2.112 -4.319 1.00 1.44 O ATOM 755 CB GLN A 48 2.018 -4.831 -6.030 1.00 52.53 C ATOM 756 CG GLN A 48 2.306 -5.894 -7.108 1.00 43.21 C ATOM 757 CD GLN A 48 3.361 -5.507 -8.140 1.00 21.44 C ATOM 758 OE1 GLN A 48 4.544 -5.816 -8.000 1.00 74.23 O ATOM 759 NE2 GLN A 48 2.918 -4.839 -9.185 1.00 62.43 N ATOM 0 H GLN A 48 3.543 -6.316 -4.669 1.00 61.25 H new ATOM 0 HA GLN A 48 3.911 -3.801 -5.939 1.00 61.32 H new ATOM 0 HB2 GLN A 48 1.305 -5.248 -5.319 1.00 52.53 H new ATOM 0 HB3 GLN A 48 1.531 -3.981 -6.508 1.00 52.53 H new ATOM 0 HG2 GLN A 48 2.624 -6.812 -6.614 1.00 43.21 H new ATOM 0 HG3 GLN A 48 1.376 -6.119 -7.630 1.00 43.21 H new ATOM 0 HE21 GLN A 48 1.928 -4.605 -9.258 1.00 62.43 H new ATOM 0 HE22 GLN A 48 3.565 -4.556 -9.921 1.00 62.43 H new ATOM 768 N ILE A 49 2.198 -3.845 -3.059 1.00 25.04 N ATOM 769 CA ILE A 49 1.701 -3.024 -1.923 1.00 53.31 C ATOM 770 C ILE A 49 2.833 -2.154 -1.358 1.00 64.42 C ATOM 771 O ILE A 49 2.748 -0.914 -1.352 1.00 3.32 O ATOM 772 CB ILE A 49 1.124 -3.925 -0.753 1.00 73.23 C ATOM 773 CG1 ILE A 49 -0.054 -4.825 -1.239 1.00 22.05 C ATOM 774 CG2 ILE A 49 0.694 -3.070 0.477 1.00 54.53 C ATOM 775 CD1 ILE A 49 -0.465 -5.902 -0.238 1.00 3.21 C ATOM 0 H ILE A 49 2.059 -4.847 -2.929 1.00 25.04 H new ATOM 0 HA ILE A 49 0.899 -2.396 -2.311 1.00 53.31 H new ATOM 0 HB ILE A 49 1.935 -4.581 -0.437 1.00 73.23 H new ATOM 0 HG12 ILE A 49 -0.916 -4.193 -1.452 1.00 22.05 H new ATOM 0 HG13 ILE A 49 0.230 -5.304 -2.176 1.00 22.05 H new ATOM 0 HG21 ILE A 49 0.304 -3.724 1.257 1.00 54.53 H new ATOM 0 HG22 ILE A 49 1.556 -2.523 0.859 1.00 54.53 H new ATOM 0 HG23 ILE A 49 -0.079 -2.363 0.176 1.00 54.53 H new ATOM 0 HD11 ILE A 49 -1.289 -6.485 -0.649 1.00 3.21 H new ATOM 0 HD12 ILE A 49 0.382 -6.559 -0.042 1.00 3.21 H new ATOM 0 HD13 ILE A 49 -0.782 -5.432 0.693 1.00 3.21 H new ATOM 787 N ILE A 50 3.911 -2.831 -0.919 1.00 60.11 N ATOM 788 CA ILE A 50 5.002 -2.185 -0.184 1.00 61.43 C ATOM 789 C ILE A 50 5.835 -1.256 -1.108 1.00 3.02 C ATOM 790 O ILE A 50 6.170 -0.148 -0.709 1.00 20.42 O ATOM 791 CB ILE A 50 5.920 -3.258 0.511 1.00 30.20 C ATOM 792 CG1 ILE A 50 5.117 -4.115 1.545 1.00 21.23 C ATOM 793 CG2 ILE A 50 7.146 -2.625 1.202 1.00 11.55 C ATOM 794 CD1 ILE A 50 4.659 -3.367 2.797 1.00 51.11 C ATOM 0 H ILE A 50 4.045 -3.832 -1.065 1.00 60.11 H new ATOM 0 HA ILE A 50 4.557 -1.563 0.593 1.00 61.43 H new ATOM 0 HB ILE A 50 6.281 -3.908 -0.286 1.00 30.20 H new ATOM 0 HG12 ILE A 50 4.240 -4.528 1.047 1.00 21.23 H new ATOM 0 HG13 ILE A 50 5.736 -4.958 1.852 1.00 21.23 H new ATOM 0 HG21 ILE A 50 7.746 -3.407 1.666 1.00 11.55 H new ATOM 0 HG22 ILE A 50 7.748 -2.096 0.463 1.00 11.55 H new ATOM 0 HG23 ILE A 50 6.811 -1.924 1.966 1.00 11.55 H new ATOM 0 HD11 ILE A 50 4.112 -4.049 3.448 1.00 51.11 H new ATOM 0 HD12 ILE A 50 5.528 -2.978 3.327 1.00 51.11 H new ATOM 0 HD13 ILE A 50 4.009 -2.540 2.510 1.00 51.11 H new ATOM 806 N GLU A 51 6.151 -1.698 -2.349 1.00 33.40 N ATOM 807 CA GLU A 51 6.992 -0.896 -3.268 1.00 70.55 C ATOM 808 C GLU A 51 6.208 0.306 -3.830 1.00 55.32 C ATOM 809 O GLU A 51 6.800 1.358 -4.036 1.00 21.11 O ATOM 810 CB GLU A 51 7.587 -1.769 -4.402 1.00 44.05 C ATOM 811 CG GLU A 51 8.583 -1.038 -5.338 1.00 71.53 C ATOM 812 CD GLU A 51 9.236 -1.960 -6.383 1.00 33.14 C ATOM 813 OE1 GLU A 51 10.138 -2.742 -6.017 1.00 73.52 O ATOM 814 OE2 GLU A 51 8.848 -1.923 -7.575 1.00 41.14 O ATOM 0 H GLU A 51 5.842 -2.591 -2.732 1.00 33.40 H new ATOM 0 HA GLU A 51 7.830 -0.503 -2.692 1.00 70.55 H new ATOM 0 HB2 GLU A 51 8.093 -2.624 -3.954 1.00 44.05 H new ATOM 0 HB3 GLU A 51 6.768 -2.163 -5.004 1.00 44.05 H new ATOM 0 HG2 GLU A 51 8.060 -0.232 -5.853 1.00 71.53 H new ATOM 0 HG3 GLU A 51 9.364 -0.576 -4.734 1.00 71.53 H new ATOM 821 N LEU A 52 4.879 0.155 -4.059 1.00 11.33 N ATOM 822 CA LEU A 52 4.017 1.308 -4.450 1.00 11.22 C ATOM 823 C LEU A 52 3.769 2.243 -3.254 1.00 73.12 C ATOM 824 O LEU A 52 3.528 3.436 -3.461 1.00 52.45 O ATOM 825 CB LEU A 52 2.657 0.862 -5.080 1.00 74.14 C ATOM 826 CG LEU A 52 2.688 0.414 -6.578 1.00 43.33 C ATOM 827 CD1 LEU A 52 1.283 -0.016 -7.065 1.00 14.31 C ATOM 828 CD2 LEU A 52 3.265 1.531 -7.476 1.00 73.43 C ATOM 0 H LEU A 52 4.385 -0.734 -3.983 1.00 11.33 H new ATOM 0 HA LEU A 52 4.565 1.852 -5.220 1.00 11.22 H new ATOM 0 HB2 LEU A 52 2.262 0.037 -4.487 1.00 74.14 H new ATOM 0 HB3 LEU A 52 1.952 1.688 -4.987 1.00 74.14 H new ATOM 0 HG LEU A 52 3.345 -0.453 -6.652 1.00 43.33 H new ATOM 0 HD11 LEU A 52 1.338 -0.322 -8.110 1.00 14.31 H new ATOM 0 HD12 LEU A 52 0.928 -0.851 -6.461 1.00 14.31 H new ATOM 0 HD13 LEU A 52 0.592 0.822 -6.968 1.00 14.31 H new ATOM 0 HD21 LEU A 52 3.276 1.195 -8.513 1.00 73.43 H new ATOM 0 HD22 LEU A 52 2.645 2.423 -7.390 1.00 73.43 H new ATOM 0 HD23 LEU A 52 4.282 1.764 -7.159 1.00 73.43 H new ATOM 840 N ALA A 53 3.815 1.699 -2.021 1.00 32.54 N ATOM 841 CA ALA A 53 3.752 2.517 -0.788 1.00 24.52 C ATOM 842 C ALA A 53 4.993 3.417 -0.695 1.00 14.52 C ATOM 843 O ALA A 53 4.889 4.636 -0.532 1.00 1.31 O ATOM 844 CB ALA A 53 3.646 1.624 0.459 1.00 23.33 C ATOM 0 H ALA A 53 3.896 0.697 -1.850 1.00 32.54 H new ATOM 0 HA ALA A 53 2.860 3.142 -0.833 1.00 24.52 H new ATOM 0 HB1 ALA A 53 3.601 2.249 1.351 1.00 23.33 H new ATOM 0 HB2 ALA A 53 2.743 1.016 0.396 1.00 23.33 H new ATOM 0 HB3 ALA A 53 4.518 0.973 0.515 1.00 23.33 H new ATOM 850 N ARG A 54 6.167 2.793 -0.850 1.00 24.24 N ATOM 851 CA ARG A 54 7.462 3.479 -0.730 1.00 10.32 C ATOM 852 C ARG A 54 7.748 4.346 -1.975 1.00 11.41 C ATOM 853 O ARG A 54 8.491 5.327 -1.889 1.00 24.42 O ATOM 854 CB ARG A 54 8.582 2.443 -0.470 1.00 31.51 C ATOM 855 CG ARG A 54 8.359 1.538 0.769 1.00 24.22 C ATOM 856 CD ARG A 54 8.221 2.317 2.094 1.00 21.42 C ATOM 857 NE ARG A 54 9.477 2.991 2.467 1.00 50.40 N ATOM 858 CZ ARG A 54 9.996 3.069 3.708 1.00 24.41 C ATOM 859 NH1 ARG A 54 9.369 2.541 4.758 1.00 35.43 N ATOM 860 NH2 ARG A 54 11.165 3.669 3.890 1.00 51.51 N ATOM 0 H ARG A 54 6.247 1.799 -1.062 1.00 24.24 H new ATOM 0 HA ARG A 54 7.429 4.158 0.122 1.00 10.32 H new ATOM 0 HB2 ARG A 54 8.683 1.809 -1.351 1.00 31.51 H new ATOM 0 HB3 ARG A 54 9.527 2.973 -0.349 1.00 31.51 H new ATOM 0 HG2 ARG A 54 7.460 0.941 0.614 1.00 24.22 H new ATOM 0 HG3 ARG A 54 9.193 0.842 0.853 1.00 24.22 H new ATOM 0 HD2 ARG A 54 7.426 3.057 1.999 1.00 21.42 H new ATOM 0 HD3 ARG A 54 7.926 1.632 2.889 1.00 21.42 H new ATOM 0 HE ARG A 54 10.002 3.440 1.717 1.00 50.40 H new ATOM 0 HH11 ARG A 54 8.476 2.065 4.632 1.00 35.43 H new ATOM 0 HH12 ARG A 54 9.782 2.613 5.688 1.00 35.43 H new ATOM 0 HH21 ARG A 54 11.664 4.067 3.094 1.00 51.51 H new ATOM 0 HH22 ARG A 54 11.565 3.733 4.826 1.00 51.51 H new ATOM 874 N ASP A 55 7.129 3.984 -3.124 1.00 32.22 N ATOM 875 CA ASP A 55 7.173 4.806 -4.363 1.00 74.51 C ATOM 876 C ASP A 55 6.324 6.064 -4.154 1.00 23.41 C ATOM 877 O ASP A 55 6.765 7.162 -4.476 1.00 71.01 O ATOM 878 CB ASP A 55 6.669 4.010 -5.606 1.00 45.00 C ATOM 879 CG ASP A 55 6.800 4.755 -6.964 1.00 44.44 C ATOM 880 OD1 ASP A 55 7.730 5.572 -7.133 1.00 12.23 O ATOM 881 OD2 ASP A 55 6.017 4.473 -7.892 1.00 60.34 O ATOM 0 H ASP A 55 6.590 3.124 -3.221 1.00 32.22 H new ATOM 0 HA ASP A 55 8.209 5.082 -4.560 1.00 74.51 H new ATOM 0 HB2 ASP A 55 7.224 3.074 -5.668 1.00 45.00 H new ATOM 0 HB3 ASP A 55 5.622 3.750 -5.451 1.00 45.00 H new ATOM 886 N CYS A 56 5.125 5.879 -3.559 1.00 51.34 N ATOM 887 CA CYS A 56 4.220 6.993 -3.194 1.00 25.44 C ATOM 888 C CYS A 56 4.899 7.939 -2.193 1.00 44.42 C ATOM 889 O CYS A 56 4.746 9.161 -2.281 1.00 31.14 O ATOM 890 CB CYS A 56 2.902 6.447 -2.600 1.00 72.13 C ATOM 891 SG CYS A 56 1.668 7.724 -2.248 1.00 20.44 S ATOM 0 H CYS A 56 4.758 4.958 -3.319 1.00 51.34 H new ATOM 0 HA CYS A 56 3.990 7.554 -4.100 1.00 25.44 H new ATOM 0 HB2 CYS A 56 2.474 5.725 -3.295 1.00 72.13 H new ATOM 0 HB3 CYS A 56 3.126 5.909 -1.679 1.00 72.13 H new ATOM 0 HG CYS A 56 0.476 7.222 -2.376 1.00 20.44 H new ATOM 897 N LEU A 57 5.668 7.333 -1.271 1.00 4.33 N ATOM 898 CA LEU A 57 6.441 8.046 -0.247 1.00 74.13 C ATOM 899 C LEU A 57 7.543 8.916 -0.901 1.00 44.34 C ATOM 900 O LEU A 57 7.696 10.107 -0.574 1.00 65.10 O ATOM 901 CB LEU A 57 7.060 7.002 0.719 1.00 53.22 C ATOM 902 CG LEU A 57 7.749 7.557 1.999 1.00 23.14 C ATOM 903 CD1 LEU A 57 6.730 8.290 2.893 1.00 55.12 C ATOM 904 CD2 LEU A 57 8.466 6.428 2.770 1.00 43.54 C ATOM 0 H LEU A 57 5.769 6.319 -1.218 1.00 4.33 H new ATOM 0 HA LEU A 57 5.786 8.716 0.311 1.00 74.13 H new ATOM 0 HB2 LEU A 57 6.272 6.315 1.027 1.00 53.22 H new ATOM 0 HB3 LEU A 57 7.794 6.418 0.164 1.00 53.22 H new ATOM 0 HG LEU A 57 8.505 8.281 1.695 1.00 23.14 H new ATOM 0 HD11 LEU A 57 7.233 8.670 3.782 1.00 55.12 H new ATOM 0 HD12 LEU A 57 6.293 9.122 2.340 1.00 55.12 H new ATOM 0 HD13 LEU A 57 5.942 7.598 3.190 1.00 55.12 H new ATOM 0 HD21 LEU A 57 8.940 6.840 3.661 1.00 43.54 H new ATOM 0 HD22 LEU A 57 7.740 5.670 3.063 1.00 43.54 H new ATOM 0 HD23 LEU A 57 9.225 5.976 2.131 1.00 43.54 H new ATOM 916 N THR A 58 8.289 8.299 -1.842 1.00 64.51 N ATOM 917 CA THR A 58 9.365 8.974 -2.604 1.00 22.41 C ATOM 918 C THR A 58 8.795 10.106 -3.500 1.00 65.43 C ATOM 919 O THR A 58 9.421 11.163 -3.660 1.00 21.31 O ATOM 920 CB THR A 58 10.163 7.931 -3.469 1.00 21.10 C ATOM 921 OG1 THR A 58 10.647 6.879 -2.616 1.00 43.41 O ATOM 922 CG2 THR A 58 11.368 8.550 -4.211 1.00 74.24 C ATOM 0 H THR A 58 8.163 7.319 -2.096 1.00 64.51 H new ATOM 0 HA THR A 58 10.050 9.429 -1.888 1.00 22.41 H new ATOM 0 HB THR A 58 9.471 7.553 -4.222 1.00 21.10 H new ATOM 0 HG1 THR A 58 9.888 6.379 -2.251 1.00 43.41 H new ATOM 0 HG21 THR A 58 11.875 7.778 -4.789 1.00 74.24 H new ATOM 0 HG22 THR A 58 11.018 9.334 -4.882 1.00 74.24 H new ATOM 0 HG23 THR A 58 12.062 8.975 -3.486 1.00 74.24 H new ATOM 930 N LYS A 59 7.594 9.879 -4.056 1.00 53.42 N ATOM 931 CA LYS A 59 6.897 10.872 -4.903 1.00 40.53 C ATOM 932 C LYS A 59 6.298 12.009 -4.043 1.00 12.10 C ATOM 933 O LYS A 59 6.198 13.147 -4.508 1.00 14.51 O ATOM 934 CB LYS A 59 5.777 10.192 -5.741 1.00 35.35 C ATOM 935 CG LYS A 59 6.269 9.157 -6.786 1.00 43.43 C ATOM 936 CD LYS A 59 5.110 8.303 -7.369 1.00 41.04 C ATOM 937 CE LYS A 59 4.194 9.063 -8.351 1.00 40.01 C ATOM 938 NZ LYS A 59 4.828 9.274 -9.684 1.00 13.55 N ATOM 0 H LYS A 59 7.077 9.008 -3.935 1.00 53.42 H new ATOM 0 HA LYS A 59 7.631 11.303 -5.584 1.00 40.53 H new ATOM 0 HB2 LYS A 59 5.086 9.696 -5.059 1.00 35.35 H new ATOM 0 HB3 LYS A 59 5.212 10.967 -6.259 1.00 35.35 H new ATOM 0 HG2 LYS A 59 6.776 9.678 -7.598 1.00 43.43 H new ATOM 0 HG3 LYS A 59 7.004 8.499 -6.322 1.00 43.43 H new ATOM 0 HD2 LYS A 59 5.533 7.438 -7.880 1.00 41.04 H new ATOM 0 HD3 LYS A 59 4.505 7.923 -6.546 1.00 41.04 H new ATOM 0 HE2 LYS A 59 3.265 8.507 -8.479 1.00 40.01 H new ATOM 0 HE3 LYS A 59 3.931 10.030 -7.922 1.00 40.01 H new ATOM 0 HZ1 LYS A 59 4.170 9.789 -10.304 1.00 13.55 H new ATOM 0 HZ2 LYS A 59 5.701 9.828 -9.570 1.00 13.55 H new ATOM 0 HZ3 LYS A 59 5.056 8.353 -10.110 1.00 13.55 H new ATOM 952 N SER A 60 5.901 11.678 -2.795 1.00 15.43 N ATOM 953 CA SER A 60 5.325 12.653 -1.837 1.00 45.33 C ATOM 954 C SER A 60 6.415 13.599 -1.288 1.00 55.21 C ATOM 955 O SER A 60 6.095 14.695 -0.813 1.00 63.21 O ATOM 956 CB SER A 60 4.610 11.917 -0.669 1.00 64.23 C ATOM 957 OG SER A 60 3.937 12.826 0.197 1.00 34.13 O ATOM 0 H SER A 60 5.970 10.731 -2.422 1.00 15.43 H new ATOM 0 HA SER A 60 4.589 13.254 -2.372 1.00 45.33 H new ATOM 0 HB2 SER A 60 3.893 11.203 -1.074 1.00 64.23 H new ATOM 0 HB3 SER A 60 5.341 11.345 -0.098 1.00 64.23 H new ATOM 0 HG SER A 60 3.635 12.351 0.999 1.00 34.13 H new ATOM 963 N ARG A 61 7.700 13.157 -1.362 1.00 53.41 N ATOM 964 CA ARG A 61 8.872 13.960 -0.921 1.00 43.44 C ATOM 965 C ARG A 61 8.943 15.280 -1.707 1.00 24.31 C ATOM 966 O ARG A 61 9.170 16.358 -1.142 1.00 11.23 O ATOM 967 CB ARG A 61 10.196 13.159 -1.123 1.00 41.22 C ATOM 968 CG ARG A 61 11.454 13.818 -0.499 1.00 72.51 C ATOM 969 CD ARG A 61 12.770 13.086 -0.865 1.00 22.41 C ATOM 970 NE ARG A 61 13.260 13.421 -2.229 1.00 31.10 N ATOM 971 CZ ARG A 61 14.331 12.858 -2.842 1.00 44.31 C ATOM 972 NH1 ARG A 61 15.033 11.895 -2.229 1.00 22.24 N ATOM 973 NH2 ARG A 61 14.716 13.297 -4.048 1.00 61.24 N ATOM 0 H ARG A 61 7.951 12.238 -1.727 1.00 53.41 H new ATOM 0 HA ARG A 61 8.751 14.180 0.140 1.00 43.44 H new ATOM 0 HB2 ARG A 61 10.072 12.165 -0.693 1.00 41.22 H new ATOM 0 HB3 ARG A 61 10.365 13.026 -2.192 1.00 41.22 H new ATOM 0 HG2 ARG A 61 11.517 14.854 -0.832 1.00 72.51 H new ATOM 0 HG3 ARG A 61 11.346 13.838 0.585 1.00 72.51 H new ATOM 0 HD2 ARG A 61 13.538 13.344 -0.135 1.00 22.41 H new ATOM 0 HD3 ARG A 61 12.612 12.010 -0.795 1.00 22.41 H new ATOM 0 HE ARG A 61 12.747 14.134 -2.747 1.00 31.10 H new ATOM 0 HH11 ARG A 61 14.763 11.582 -1.297 1.00 22.24 H new ATOM 0 HH12 ARG A 61 15.837 11.475 -2.695 1.00 22.24 H new ATOM 0 HH21 ARG A 61 14.204 14.053 -4.503 1.00 61.24 H new ATOM 0 HH22 ARG A 61 15.521 12.875 -4.511 1.00 61.24 H new ATOM 987 N ASP A 62 8.748 15.153 -3.020 1.00 55.32 N ATOM 988 CA ASP A 62 8.739 16.286 -3.961 1.00 70.31 C ATOM 989 C ASP A 62 7.294 16.774 -4.185 1.00 15.13 C ATOM 990 O ASP A 62 7.073 17.901 -4.638 1.00 50.12 O ATOM 991 CB ASP A 62 9.369 15.841 -5.307 1.00 74.41 C ATOM 992 CG ASP A 62 10.822 15.337 -5.173 1.00 52.11 C ATOM 993 OD1 ASP A 62 11.044 14.269 -4.554 1.00 45.20 O ATOM 994 OD2 ASP A 62 11.754 16.005 -5.673 1.00 60.33 O ATOM 0 H ASP A 62 8.589 14.252 -3.471 1.00 55.32 H new ATOM 0 HA ASP A 62 9.322 17.108 -3.545 1.00 70.31 H new ATOM 0 HB2 ASP A 62 8.757 15.050 -5.741 1.00 74.41 H new ATOM 0 HB3 ASP A 62 9.347 16.679 -6.004 1.00 74.41 H new ATOM 999 N GLY A 63 6.325 15.884 -3.884 1.00 50.31 N ATOM 1000 CA GLY A 63 4.891 16.164 -4.029 1.00 4.10 C ATOM 1001 C GLY A 63 4.360 15.918 -5.439 1.00 33.24 C ATOM 1002 O GLY A 63 3.191 16.204 -5.709 1.00 73.12 O ATOM 0 H GLY A 63 6.522 14.947 -3.532 1.00 50.31 H new ATOM 0 HA2 GLY A 63 4.335 15.543 -3.327 1.00 4.10 H new ATOM 0 HA3 GLY A 63 4.702 17.202 -3.755 1.00 4.10 H new ATOM 1006 N LEU A 64 5.194 15.329 -6.327 1.00 3.32 N ATOM 1007 CA LEU A 64 4.893 15.238 -7.788 1.00 11.01 C ATOM 1008 C LEU A 64 4.068 13.964 -8.152 1.00 10.04 C ATOM 1009 O LEU A 64 4.214 13.370 -9.233 1.00 23.20 O ATOM 1010 CB LEU A 64 6.216 15.396 -8.631 1.00 61.53 C ATOM 1011 CG LEU A 64 7.177 14.165 -8.816 1.00 24.10 C ATOM 1012 CD1 LEU A 64 8.456 14.593 -9.575 1.00 73.22 C ATOM 1013 CD2 LEU A 64 7.535 13.471 -7.487 1.00 71.33 C ATOM 0 H LEU A 64 6.084 14.907 -6.063 1.00 3.32 H new ATOM 0 HA LEU A 64 4.242 16.071 -8.055 1.00 11.01 H new ATOM 0 HB2 LEU A 64 5.929 15.737 -9.626 1.00 61.53 H new ATOM 0 HB3 LEU A 64 6.798 16.197 -8.175 1.00 61.53 H new ATOM 0 HG LEU A 64 6.635 13.428 -9.408 1.00 24.10 H new ATOM 0 HD11 LEU A 64 9.113 13.731 -9.696 1.00 73.22 H new ATOM 0 HD12 LEU A 64 8.184 14.983 -10.556 1.00 73.22 H new ATOM 0 HD13 LEU A 64 8.974 15.367 -9.008 1.00 73.22 H new ATOM 0 HD21 LEU A 64 8.200 12.630 -7.683 1.00 71.33 H new ATOM 0 HD22 LEU A 64 8.033 14.182 -6.828 1.00 71.33 H new ATOM 0 HD23 LEU A 64 6.625 13.109 -7.009 1.00 71.33 H new ATOM 1025 N ILE A 65 3.145 13.595 -7.249 1.00 64.53 N ATOM 1026 CA ILE A 65 2.174 12.514 -7.473 1.00 63.03 C ATOM 1027 C ILE A 65 1.059 13.030 -8.413 1.00 21.41 C ATOM 1028 O ILE A 65 0.197 13.804 -7.968 1.00 4.32 O ATOM 1029 CB ILE A 65 1.509 12.019 -6.119 1.00 14.22 C ATOM 1030 CG1 ILE A 65 2.581 11.685 -5.043 1.00 30.22 C ATOM 1031 CG2 ILE A 65 0.599 10.794 -6.373 1.00 62.45 C ATOM 1032 CD1 ILE A 65 2.032 11.264 -3.690 1.00 41.21 C ATOM 0 H ILE A 65 3.052 14.042 -6.337 1.00 64.53 H new ATOM 0 HA ILE A 65 2.707 11.672 -7.915 1.00 63.03 H new ATOM 0 HB ILE A 65 0.897 12.836 -5.737 1.00 14.22 H new ATOM 0 HG12 ILE A 65 3.217 10.886 -5.423 1.00 30.22 H new ATOM 0 HG13 ILE A 65 3.217 12.559 -4.903 1.00 30.22 H new ATOM 0 HG21 ILE A 65 0.153 10.471 -5.432 1.00 62.45 H new ATOM 0 HG22 ILE A 65 -0.190 11.066 -7.074 1.00 62.45 H new ATOM 0 HG23 ILE A 65 1.192 9.981 -6.792 1.00 62.45 H new ATOM 0 HD11 ILE A 65 2.859 11.053 -3.011 1.00 41.21 H new ATOM 0 HD12 ILE A 65 1.421 12.068 -3.279 1.00 41.21 H new ATOM 0 HD13 ILE A 65 1.422 10.368 -3.808 1.00 41.21 H new ATOM 1044 N THR A 66 1.097 12.635 -9.707 1.00 15.42 N ATOM 1045 CA THR A 66 0.024 12.972 -10.664 1.00 5.11 C ATOM 1046 C THR A 66 -1.247 12.189 -10.279 1.00 24.15 C ATOM 1047 O THR A 66 -1.144 11.034 -9.847 1.00 24.45 O ATOM 1048 CB THR A 66 0.446 12.708 -12.154 1.00 21.35 C ATOM 1049 OG1 THR A 66 0.870 11.357 -12.342 1.00 43.44 O ATOM 1050 CG2 THR A 66 1.586 13.642 -12.585 1.00 63.50 C ATOM 0 H THR A 66 1.857 12.085 -10.108 1.00 15.42 H new ATOM 0 HA THR A 66 -0.178 14.041 -10.604 1.00 5.11 H new ATOM 0 HB THR A 66 -0.435 12.902 -12.767 1.00 21.35 H new ATOM 0 HG1 THR A 66 1.125 11.221 -13.279 1.00 43.44 H new ATOM 0 HG21 THR A 66 1.855 13.434 -13.621 1.00 63.50 H new ATOM 0 HG22 THR A 66 1.261 14.678 -12.496 1.00 63.50 H new ATOM 0 HG23 THR A 66 2.453 13.477 -11.945 1.00 63.50 H new ATOM 1058 N THR A 67 -2.421 12.837 -10.443 1.00 34.41 N ATOM 1059 CA THR A 67 -3.719 12.431 -9.842 1.00 71.03 C ATOM 1060 C THR A 67 -4.070 10.930 -10.025 1.00 45.52 C ATOM 1061 O THR A 67 -4.610 10.295 -9.098 1.00 54.25 O ATOM 1062 CB THR A 67 -4.869 13.320 -10.428 1.00 74.14 C ATOM 1063 OG1 THR A 67 -4.448 14.692 -10.472 1.00 5.01 O ATOM 1064 CG2 THR A 67 -6.161 13.221 -9.593 1.00 30.22 C ATOM 0 H THR A 67 -2.498 13.680 -11.012 1.00 34.41 H new ATOM 0 HA THR A 67 -3.615 12.583 -8.768 1.00 71.03 H new ATOM 0 HB THR A 67 -5.083 12.952 -11.432 1.00 74.14 H new ATOM 0 HG1 THR A 67 -4.046 14.883 -11.345 1.00 5.01 H new ATOM 0 HG21 THR A 67 -6.930 13.853 -10.036 1.00 30.22 H new ATOM 0 HG22 THR A 67 -6.506 12.187 -9.577 1.00 30.22 H new ATOM 0 HG23 THR A 67 -5.962 13.552 -8.574 1.00 30.22 H new ATOM 1072 N VAL A 68 -3.722 10.386 -11.209 1.00 22.40 N ATOM 1073 CA VAL A 68 -4.005 8.981 -11.614 1.00 43.23 C ATOM 1074 C VAL A 68 -3.522 7.971 -10.554 1.00 14.32 C ATOM 1075 O VAL A 68 -4.241 7.029 -10.200 1.00 33.03 O ATOM 1076 CB VAL A 68 -3.316 8.633 -12.998 1.00 12.00 C ATOM 1077 CG1 VAL A 68 -3.729 7.225 -13.497 1.00 20.00 C ATOM 1078 CG2 VAL A 68 -3.609 9.725 -14.055 1.00 33.34 C ATOM 0 H VAL A 68 -3.228 10.914 -11.928 1.00 22.40 H new ATOM 0 HA VAL A 68 -5.088 8.902 -11.713 1.00 43.23 H new ATOM 0 HB VAL A 68 -2.238 8.613 -12.839 1.00 12.00 H new ATOM 0 HG11 VAL A 68 -3.239 7.018 -14.448 1.00 20.00 H new ATOM 0 HG12 VAL A 68 -3.429 6.477 -12.764 1.00 20.00 H new ATOM 0 HG13 VAL A 68 -4.810 7.189 -13.630 1.00 20.00 H new ATOM 0 HG21 VAL A 68 -3.124 9.461 -14.995 1.00 33.34 H new ATOM 0 HG22 VAL A 68 -4.685 9.801 -14.211 1.00 33.34 H new ATOM 0 HG23 VAL A 68 -3.224 10.683 -13.705 1.00 33.34 H new ATOM 1088 N TYR A 69 -2.333 8.256 -10.014 1.00 40.31 N ATOM 1089 CA TYR A 69 -1.555 7.333 -9.181 1.00 63.03 C ATOM 1090 C TYR A 69 -2.271 6.926 -7.872 1.00 12.05 C ATOM 1091 O TYR A 69 -2.017 5.839 -7.362 1.00 43.13 O ATOM 1092 CB TYR A 69 -0.184 7.986 -8.897 1.00 40.32 C ATOM 1093 CG TYR A 69 0.826 7.091 -8.169 1.00 21.31 C ATOM 1094 CD1 TYR A 69 1.459 6.030 -8.826 1.00 63.25 C ATOM 1095 CD2 TYR A 69 1.152 7.316 -6.836 1.00 61.52 C ATOM 1096 CE1 TYR A 69 2.372 5.236 -8.172 1.00 3.51 C ATOM 1097 CE2 TYR A 69 2.060 6.531 -6.188 1.00 54.40 C ATOM 1098 CZ TYR A 69 2.673 5.494 -6.857 1.00 1.33 C ATOM 1099 OH TYR A 69 3.574 4.705 -6.197 1.00 62.31 O ATOM 0 H TYR A 69 -1.873 9.157 -10.147 1.00 40.31 H new ATOM 0 HA TYR A 69 -1.429 6.399 -9.728 1.00 63.03 H new ATOM 0 HB2 TYR A 69 0.252 8.304 -9.844 1.00 40.32 H new ATOM 0 HB3 TYR A 69 -0.344 8.885 -8.302 1.00 40.32 H new ATOM 0 HD1 TYR A 69 1.227 5.832 -9.862 1.00 63.25 H new ATOM 0 HD2 TYR A 69 0.677 8.127 -6.304 1.00 61.52 H new ATOM 0 HE1 TYR A 69 2.849 4.416 -8.689 1.00 3.51 H new ATOM 0 HE2 TYR A 69 2.298 6.722 -5.152 1.00 54.40 H new ATOM 0 HH TYR A 69 4.223 4.344 -6.837 1.00 62.31 H new ATOM 1109 N PHE A 70 -3.157 7.798 -7.340 1.00 41.43 N ATOM 1110 CA PHE A 70 -3.968 7.478 -6.131 1.00 11.55 C ATOM 1111 C PHE A 70 -4.986 6.360 -6.447 1.00 60.13 C ATOM 1112 O PHE A 70 -5.103 5.359 -5.705 1.00 32.03 O ATOM 1113 CB PHE A 70 -4.715 8.733 -5.608 1.00 21.11 C ATOM 1114 CG PHE A 70 -3.807 9.806 -4.987 1.00 25.35 C ATOM 1115 CD1 PHE A 70 -3.301 9.647 -3.690 1.00 73.53 C ATOM 1116 CD2 PHE A 70 -3.456 10.963 -5.688 1.00 74.11 C ATOM 1117 CE1 PHE A 70 -2.488 10.610 -3.116 1.00 44.01 C ATOM 1118 CE2 PHE A 70 -2.642 11.926 -5.110 1.00 34.15 C ATOM 1119 CZ PHE A 70 -2.155 11.746 -3.826 1.00 30.54 C ATOM 0 H PHE A 70 -3.332 8.727 -7.723 1.00 41.43 H new ATOM 0 HA PHE A 70 -3.285 7.135 -5.354 1.00 11.55 H new ATOM 0 HB2 PHE A 70 -5.270 9.179 -6.433 1.00 21.11 H new ATOM 0 HB3 PHE A 70 -5.447 8.420 -4.863 1.00 21.11 H new ATOM 0 HD1 PHE A 70 -3.549 8.758 -3.129 1.00 73.53 H new ATOM 0 HD2 PHE A 70 -3.823 11.109 -6.693 1.00 74.11 H new ATOM 0 HE1 PHE A 70 -2.114 10.472 -2.112 1.00 44.01 H new ATOM 0 HE2 PHE A 70 -2.387 12.818 -5.663 1.00 34.15 H new ATOM 0 HZ PHE A 70 -1.515 12.494 -3.381 1.00 30.54 H new ATOM 1129 N TYR A 71 -5.696 6.539 -7.575 1.00 44.30 N ATOM 1130 CA TYR A 71 -6.721 5.585 -8.037 1.00 53.33 C ATOM 1131 C TYR A 71 -6.062 4.250 -8.405 1.00 73.44 C ATOM 1132 O TYR A 71 -6.519 3.192 -7.990 1.00 14.21 O ATOM 1133 CB TYR A 71 -7.506 6.154 -9.250 1.00 2.00 C ATOM 1134 CG TYR A 71 -8.051 7.574 -9.020 1.00 64.55 C ATOM 1135 CD1 TYR A 71 -9.166 7.808 -8.208 1.00 13.32 C ATOM 1136 CD2 TYR A 71 -7.438 8.683 -9.609 1.00 2.51 C ATOM 1137 CE1 TYR A 71 -9.642 9.089 -7.997 1.00 33.24 C ATOM 1138 CE2 TYR A 71 -7.912 9.958 -9.400 1.00 3.41 C ATOM 1139 CZ TYR A 71 -9.013 10.160 -8.596 1.00 4.11 C ATOM 1140 OH TYR A 71 -9.485 11.437 -8.394 1.00 60.13 O ATOM 0 H TYR A 71 -5.577 7.344 -8.189 1.00 44.30 H new ATOM 0 HA TYR A 71 -7.431 5.421 -7.226 1.00 53.33 H new ATOM 0 HB2 TYR A 71 -6.854 6.161 -10.123 1.00 2.00 H new ATOM 0 HB3 TYR A 71 -8.337 5.487 -9.479 1.00 2.00 H new ATOM 0 HD1 TYR A 71 -9.664 6.973 -7.737 1.00 13.32 H new ATOM 0 HD2 TYR A 71 -6.575 8.537 -10.241 1.00 2.51 H new ATOM 0 HE1 TYR A 71 -10.503 9.250 -7.365 1.00 33.24 H new ATOM 0 HE2 TYR A 71 -7.421 10.800 -9.866 1.00 3.41 H new ATOM 0 HH TYR A 71 -8.927 12.074 -8.887 1.00 60.13 H new ATOM 1150 N GLU A 72 -4.950 4.365 -9.142 1.00 13.15 N ATOM 1151 CA GLU A 72 -4.110 3.246 -9.602 1.00 75.41 C ATOM 1152 C GLU A 72 -3.542 2.446 -8.406 1.00 34.11 C ATOM 1153 O GLU A 72 -3.500 1.198 -8.435 1.00 41.43 O ATOM 1154 CB GLU A 72 -2.975 3.847 -10.484 1.00 61.53 C ATOM 1155 CG GLU A 72 -1.932 2.846 -11.008 1.00 1.23 C ATOM 1156 CD GLU A 72 -0.864 3.509 -11.901 1.00 61.20 C ATOM 1157 OE1 GLU A 72 0.054 4.163 -11.361 1.00 2.52 O ATOM 1158 OE2 GLU A 72 -0.958 3.411 -13.149 1.00 52.23 O ATOM 0 H GLU A 72 -4.596 5.272 -9.447 1.00 13.15 H new ATOM 0 HA GLU A 72 -4.700 2.540 -10.186 1.00 75.41 H new ATOM 0 HB2 GLU A 72 -3.431 4.348 -11.338 1.00 61.53 H new ATOM 0 HB3 GLU A 72 -2.458 4.612 -9.905 1.00 61.53 H new ATOM 0 HG2 GLU A 72 -1.443 2.362 -10.163 1.00 1.23 H new ATOM 0 HG3 GLU A 72 -2.438 2.064 -11.574 1.00 1.23 H new ATOM 1165 N LEU A 73 -3.148 3.193 -7.348 1.00 21.32 N ATOM 1166 CA LEU A 73 -2.676 2.612 -6.075 1.00 71.41 C ATOM 1167 C LEU A 73 -3.784 1.723 -5.500 1.00 50.15 C ATOM 1168 O LEU A 73 -3.576 0.533 -5.279 1.00 63.52 O ATOM 1169 CB LEU A 73 -2.296 3.727 -5.031 1.00 74.34 C ATOM 1170 CG LEU A 73 -0.958 3.538 -4.232 1.00 45.31 C ATOM 1171 CD1 LEU A 73 -0.898 2.197 -3.463 1.00 52.30 C ATOM 1172 CD2 LEU A 73 0.254 3.695 -5.166 1.00 22.24 C ATOM 0 H LEU A 73 -3.149 4.213 -7.356 1.00 21.32 H new ATOM 0 HA LEU A 73 -1.778 2.027 -6.273 1.00 71.41 H new ATOM 0 HB2 LEU A 73 -2.242 4.679 -5.559 1.00 74.34 H new ATOM 0 HB3 LEU A 73 -3.111 3.807 -4.311 1.00 74.34 H new ATOM 0 HG LEU A 73 -0.927 4.324 -3.477 1.00 45.31 H new ATOM 0 HD11 LEU A 73 0.050 2.125 -2.931 1.00 52.30 H new ATOM 0 HD12 LEU A 73 -1.720 2.150 -2.748 1.00 52.30 H new ATOM 0 HD13 LEU A 73 -0.982 1.370 -4.167 1.00 52.30 H new ATOM 0 HD21 LEU A 73 1.173 3.561 -4.595 1.00 22.24 H new ATOM 0 HD22 LEU A 73 0.204 2.945 -5.956 1.00 22.24 H new ATOM 0 HD23 LEU A 73 0.245 4.690 -5.610 1.00 22.24 H new ATOM 1184 N GLN A 74 -4.971 2.338 -5.314 1.00 32.31 N ATOM 1185 CA GLN A 74 -6.141 1.687 -4.691 1.00 4.31 C ATOM 1186 C GLN A 74 -6.612 0.445 -5.497 1.00 15.43 C ATOM 1187 O GLN A 74 -6.988 -0.593 -4.909 1.00 43.45 O ATOM 1188 CB GLN A 74 -7.293 2.715 -4.566 1.00 12.01 C ATOM 1189 CG GLN A 74 -8.506 2.196 -3.775 1.00 11.33 C ATOM 1190 CD GLN A 74 -9.692 3.156 -3.739 1.00 70.43 C ATOM 1191 OE1 GLN A 74 -9.541 4.375 -3.817 1.00 43.54 O ATOM 1192 NE2 GLN A 74 -10.881 2.611 -3.583 1.00 15.53 N ATOM 0 H GLN A 74 -5.145 3.304 -5.593 1.00 32.31 H new ATOM 0 HA GLN A 74 -5.848 1.336 -3.702 1.00 4.31 H new ATOM 0 HB2 GLN A 74 -6.913 3.615 -4.082 1.00 12.01 H new ATOM 0 HB3 GLN A 74 -7.619 3.004 -5.565 1.00 12.01 H new ATOM 0 HG2 GLN A 74 -8.832 1.251 -4.211 1.00 11.33 H new ATOM 0 HG3 GLN A 74 -8.194 1.984 -2.752 1.00 11.33 H new ATOM 0 HE21 GLN A 74 -10.973 1.597 -3.522 1.00 15.53 H new ATOM 0 HE22 GLN A 74 -11.710 3.203 -3.523 1.00 15.53 H new ATOM 1201 N GLU A 75 -6.573 0.570 -6.843 1.00 54.11 N ATOM 1202 CA GLU A 75 -6.918 -0.519 -7.786 1.00 3.33 C ATOM 1203 C GLU A 75 -6.007 -1.723 -7.548 1.00 65.45 C ATOM 1204 O GLU A 75 -6.492 -2.829 -7.305 1.00 53.44 O ATOM 1205 CB GLU A 75 -6.787 -0.039 -9.259 1.00 3.43 C ATOM 1206 CG GLU A 75 -7.878 0.957 -9.717 1.00 21.35 C ATOM 1207 CD GLU A 75 -7.550 1.662 -11.050 1.00 51.11 C ATOM 1208 OE1 GLU A 75 -7.192 0.969 -12.032 1.00 1.23 O ATOM 1209 OE2 GLU A 75 -7.668 2.908 -11.129 1.00 24.51 O ATOM 0 H GLU A 75 -6.299 1.435 -7.309 1.00 54.11 H new ATOM 0 HA GLU A 75 -7.954 -0.810 -7.610 1.00 3.33 H new ATOM 0 HB2 GLU A 75 -5.811 0.429 -9.388 1.00 3.43 H new ATOM 0 HB3 GLU A 75 -6.812 -0.910 -9.914 1.00 3.43 H new ATOM 0 HG2 GLU A 75 -8.824 0.425 -9.820 1.00 21.35 H new ATOM 0 HG3 GLU A 75 -8.019 1.710 -8.942 1.00 21.35 H new ATOM 1216 N ASN A 76 -4.684 -1.463 -7.570 1.00 71.52 N ATOM 1217 CA ASN A 76 -3.646 -2.474 -7.322 1.00 15.04 C ATOM 1218 C ASN A 76 -3.858 -3.156 -5.954 1.00 64.22 C ATOM 1219 O ASN A 76 -3.911 -4.389 -5.864 1.00 11.32 O ATOM 1220 CB ASN A 76 -2.252 -1.786 -7.418 1.00 40.44 C ATOM 1221 CG ASN A 76 -1.097 -2.674 -6.970 1.00 2.30 C ATOM 1222 OD1 ASN A 76 -0.563 -3.461 -7.745 1.00 32.53 O ATOM 1223 ND2 ASN A 76 -0.691 -2.538 -5.716 1.00 13.44 N ATOM 0 H ASN A 76 -4.307 -0.535 -7.763 1.00 71.52 H new ATOM 0 HA ASN A 76 -3.705 -3.261 -8.073 1.00 15.04 H new ATOM 0 HB2 ASN A 76 -2.081 -1.475 -8.449 1.00 40.44 H new ATOM 0 HB3 ASN A 76 -2.260 -0.882 -6.809 1.00 40.44 H new ATOM 0 HD21 ASN A 76 0.088 -3.097 -5.369 1.00 13.44 H new ATOM 0 HD22 ASN A 76 -1.158 -1.874 -5.098 1.00 13.44 H new ATOM 1230 N LEU A 77 -4.055 -2.317 -4.921 1.00 71.34 N ATOM 1231 CA LEU A 77 -4.188 -2.755 -3.525 1.00 52.30 C ATOM 1232 C LEU A 77 -5.342 -3.760 -3.344 1.00 62.34 C ATOM 1233 O LEU A 77 -5.116 -4.897 -2.911 1.00 14.42 O ATOM 1234 CB LEU A 77 -4.394 -1.527 -2.585 1.00 61.32 C ATOM 1235 CG LEU A 77 -3.176 -0.568 -2.382 1.00 31.22 C ATOM 1236 CD1 LEU A 77 -3.498 0.510 -1.314 1.00 2.33 C ATOM 1237 CD2 LEU A 77 -1.882 -1.347 -2.036 1.00 24.02 C ATOM 0 H LEU A 77 -4.127 -1.306 -5.036 1.00 71.34 H new ATOM 0 HA LEU A 77 -3.262 -3.262 -3.255 1.00 52.30 H new ATOM 0 HB2 LEU A 77 -5.225 -0.939 -2.975 1.00 61.32 H new ATOM 0 HB3 LEU A 77 -4.698 -1.898 -1.606 1.00 61.32 H new ATOM 0 HG LEU A 77 -2.993 -0.058 -3.328 1.00 31.22 H new ATOM 0 HD11 LEU A 77 -2.637 1.166 -1.189 1.00 2.33 H new ATOM 0 HD12 LEU A 77 -4.358 1.097 -1.637 1.00 2.33 H new ATOM 0 HD13 LEU A 77 -3.726 0.025 -0.365 1.00 2.33 H new ATOM 0 HD21 LEU A 77 -1.059 -0.645 -1.903 1.00 24.02 H new ATOM 0 HD22 LEU A 77 -2.031 -1.910 -1.115 1.00 24.02 H new ATOM 0 HD23 LEU A 77 -1.644 -2.035 -2.847 1.00 24.02 H new ATOM 1249 N GLU A 78 -6.570 -3.339 -3.699 1.00 34.11 N ATOM 1250 CA GLU A 78 -7.785 -4.143 -3.448 1.00 2.11 C ATOM 1251 C GLU A 78 -7.982 -5.271 -4.486 1.00 45.24 C ATOM 1252 O GLU A 78 -8.609 -6.303 -4.166 1.00 12.13 O ATOM 1253 CB GLU A 78 -9.024 -3.228 -3.337 1.00 52.24 C ATOM 1254 CG GLU A 78 -9.016 -2.324 -2.076 1.00 34.33 C ATOM 1255 CD GLU A 78 -10.254 -1.415 -1.978 1.00 24.42 C ATOM 1256 OE1 GLU A 78 -11.302 -1.867 -1.463 1.00 41.03 O ATOM 1257 OE2 GLU A 78 -10.192 -0.261 -2.440 1.00 22.01 O ATOM 0 H GLU A 78 -6.749 -2.447 -4.161 1.00 34.11 H new ATOM 0 HA GLU A 78 -7.651 -4.648 -2.492 1.00 2.11 H new ATOM 0 HB2 GLU A 78 -9.081 -2.599 -4.225 1.00 52.24 H new ATOM 0 HB3 GLU A 78 -9.922 -3.846 -3.326 1.00 52.24 H new ATOM 0 HG2 GLU A 78 -8.962 -2.952 -1.186 1.00 34.33 H new ATOM 0 HG3 GLU A 78 -8.118 -1.706 -2.085 1.00 34.33 H new ATOM 1264 N LYS A 79 -7.430 -5.109 -5.708 1.00 74.55 N ATOM 1265 CA LYS A 79 -7.438 -6.200 -6.701 1.00 60.03 C ATOM 1266 C LYS A 79 -6.585 -7.360 -6.185 1.00 63.43 C ATOM 1267 O LYS A 79 -7.038 -8.497 -6.141 1.00 74.43 O ATOM 1268 CB LYS A 79 -6.917 -5.757 -8.092 1.00 2.23 C ATOM 1269 CG LYS A 79 -6.947 -6.882 -9.158 1.00 54.24 C ATOM 1270 CD LYS A 79 -6.100 -6.563 -10.405 1.00 2.02 C ATOM 1271 CE LYS A 79 -6.083 -7.738 -11.392 1.00 22.33 C ATOM 1272 NZ LYS A 79 -5.593 -9.005 -10.760 1.00 63.42 N ATOM 0 H LYS A 79 -6.982 -4.249 -6.025 1.00 74.55 H new ATOM 0 HA LYS A 79 -8.475 -6.508 -6.831 1.00 60.03 H new ATOM 0 HB2 LYS A 79 -7.518 -4.919 -8.445 1.00 2.23 H new ATOM 0 HB3 LYS A 79 -5.894 -5.395 -7.988 1.00 2.23 H new ATOM 0 HG2 LYS A 79 -6.586 -7.808 -8.709 1.00 54.24 H new ATOM 0 HG3 LYS A 79 -7.979 -7.056 -9.463 1.00 54.24 H new ATOM 0 HD2 LYS A 79 -6.499 -5.677 -10.900 1.00 2.02 H new ATOM 0 HD3 LYS A 79 -5.080 -6.327 -10.102 1.00 2.02 H new ATOM 0 HE2 LYS A 79 -7.088 -7.895 -11.784 1.00 22.33 H new ATOM 0 HE3 LYS A 79 -5.446 -7.488 -12.240 1.00 22.33 H new ATOM 0 HZ1 LYS A 79 -5.357 -9.695 -11.502 1.00 63.42 H new ATOM 0 HZ2 LYS A 79 -4.745 -8.804 -10.192 1.00 63.42 H new ATOM 0 HZ3 LYS A 79 -6.336 -9.397 -10.147 1.00 63.42 H new ATOM 1286 N LEU A 80 -5.359 -7.041 -5.745 1.00 14.40 N ATOM 1287 CA LEU A 80 -4.403 -8.054 -5.268 1.00 63.24 C ATOM 1288 C LEU A 80 -4.732 -8.509 -3.841 1.00 21.34 C ATOM 1289 O LEU A 80 -4.249 -9.547 -3.398 1.00 51.04 O ATOM 1290 CB LEU A 80 -2.966 -7.520 -5.411 1.00 45.25 C ATOM 1291 CG LEU A 80 -2.571 -7.062 -6.850 1.00 74.34 C ATOM 1292 CD1 LEU A 80 -1.098 -6.642 -6.912 1.00 4.21 C ATOM 1293 CD2 LEU A 80 -2.905 -8.139 -7.903 1.00 14.52 C ATOM 0 H LEU A 80 -5.004 -6.085 -5.709 1.00 14.40 H new ATOM 0 HA LEU A 80 -4.487 -8.946 -5.889 1.00 63.24 H new ATOM 0 HB2 LEU A 80 -2.838 -6.678 -4.730 1.00 45.25 H new ATOM 0 HB3 LEU A 80 -2.272 -8.297 -5.090 1.00 45.25 H new ATOM 0 HG LEU A 80 -3.171 -6.185 -7.093 1.00 74.34 H new ATOM 0 HD11 LEU A 80 -0.852 -6.328 -7.926 1.00 4.21 H new ATOM 0 HD12 LEU A 80 -0.926 -5.814 -6.224 1.00 4.21 H new ATOM 0 HD13 LEU A 80 -0.467 -7.485 -6.630 1.00 4.21 H new ATOM 0 HD21 LEU A 80 -2.615 -7.783 -8.892 1.00 14.52 H new ATOM 0 HD22 LEU A 80 -2.360 -9.054 -7.673 1.00 14.52 H new ATOM 0 HD23 LEU A 80 -3.976 -8.341 -7.889 1.00 14.52 H new ATOM 1305 N LEU A 81 -5.551 -7.718 -3.136 1.00 4.21 N ATOM 1306 CA LEU A 81 -6.281 -8.174 -1.940 1.00 11.12 C ATOM 1307 C LEU A 81 -7.180 -9.360 -2.308 1.00 72.42 C ATOM 1308 O LEU A 81 -7.183 -10.394 -1.630 1.00 41.25 O ATOM 1309 CB LEU A 81 -7.156 -7.025 -1.389 1.00 12.44 C ATOM 1310 CG LEU A 81 -8.173 -7.386 -0.249 1.00 0.31 C ATOM 1311 CD1 LEU A 81 -7.526 -7.294 1.143 1.00 31.13 C ATOM 1312 CD2 LEU A 81 -9.461 -6.535 -0.352 1.00 64.23 C ATOM 0 H LEU A 81 -5.728 -6.743 -3.377 1.00 4.21 H new ATOM 0 HA LEU A 81 -5.562 -8.479 -1.180 1.00 11.12 H new ATOM 0 HB2 LEU A 81 -6.494 -6.244 -1.017 1.00 12.44 H new ATOM 0 HB3 LEU A 81 -7.717 -6.598 -2.220 1.00 12.44 H new ATOM 0 HG LEU A 81 -8.466 -8.427 -0.388 1.00 0.31 H new ATOM 0 HD11 LEU A 81 -8.262 -7.551 1.904 1.00 31.13 H new ATOM 0 HD12 LEU A 81 -6.687 -7.987 1.201 1.00 31.13 H new ATOM 0 HD13 LEU A 81 -7.169 -6.278 1.312 1.00 31.13 H new ATOM 0 HD21 LEU A 81 -10.144 -6.810 0.452 1.00 64.23 H new ATOM 0 HD22 LEU A 81 -9.207 -5.478 -0.267 1.00 64.23 H new ATOM 0 HD23 LEU A 81 -9.941 -6.716 -1.314 1.00 64.23 H new ATOM 1324 N GLN A 82 -7.952 -9.164 -3.390 1.00 4.11 N ATOM 1325 CA GLN A 82 -8.866 -10.187 -3.918 1.00 24.30 C ATOM 1326 C GLN A 82 -8.091 -11.403 -4.505 1.00 25.13 C ATOM 1327 O GLN A 82 -8.577 -12.543 -4.427 1.00 1.14 O ATOM 1328 CB GLN A 82 -9.813 -9.535 -4.964 1.00 72.02 C ATOM 1329 CG GLN A 82 -11.008 -10.405 -5.408 1.00 32.21 C ATOM 1330 CD GLN A 82 -11.913 -10.839 -4.255 1.00 52.21 C ATOM 1331 OE1 GLN A 82 -12.864 -10.144 -3.899 1.00 51.31 O ATOM 1332 NE2 GLN A 82 -11.610 -11.980 -3.656 1.00 71.44 N ATOM 0 H GLN A 82 -7.959 -8.293 -3.921 1.00 4.11 H new ATOM 0 HA GLN A 82 -9.470 -10.582 -3.101 1.00 24.30 H new ATOM 0 HB2 GLN A 82 -10.198 -8.603 -4.550 1.00 72.02 H new ATOM 0 HB3 GLN A 82 -9.228 -9.274 -5.846 1.00 72.02 H new ATOM 0 HG2 GLN A 82 -11.601 -9.849 -6.134 1.00 32.21 H new ATOM 0 HG3 GLN A 82 -10.631 -11.292 -5.916 1.00 32.21 H new ATOM 0 HE21 GLN A 82 -10.814 -12.530 -3.979 1.00 71.44 H new ATOM 0 HE22 GLN A 82 -12.173 -12.309 -2.872 1.00 71.44 H new ATOM 1341 N ASP A 83 -6.884 -11.152 -5.070 1.00 3.43 N ATOM 1342 CA ASP A 83 -5.966 -12.223 -5.542 1.00 1.33 C ATOM 1343 C ASP A 83 -5.425 -13.034 -4.334 1.00 0.11 C ATOM 1344 O ASP A 83 -5.318 -14.262 -4.404 1.00 32.12 O ATOM 1345 CB ASP A 83 -4.769 -11.630 -6.358 1.00 2.13 C ATOM 1346 CG ASP A 83 -5.101 -11.130 -7.792 1.00 2.44 C ATOM 1347 OD1 ASP A 83 -6.109 -10.419 -7.983 1.00 35.03 O ATOM 1348 OD2 ASP A 83 -4.308 -11.399 -8.736 1.00 13.44 O ATOM 0 H ASP A 83 -6.520 -10.210 -5.211 1.00 3.43 H new ATOM 0 HA ASP A 83 -6.533 -12.882 -6.199 1.00 1.33 H new ATOM 0 HB2 ASP A 83 -4.347 -10.798 -5.794 1.00 2.13 H new ATOM 0 HB3 ASP A 83 -3.993 -12.392 -6.431 1.00 2.13 H new ATOM 1353 N ALA A 84 -5.087 -12.324 -3.233 1.00 43.51 N ATOM 1354 CA ALA A 84 -4.565 -12.952 -1.987 1.00 42.20 C ATOM 1355 C ALA A 84 -5.664 -13.724 -1.238 1.00 3.33 C ATOM 1356 O ALA A 84 -5.385 -14.720 -0.558 1.00 42.42 O ATOM 1357 CB ALA A 84 -3.935 -11.886 -1.079 1.00 21.42 C ATOM 0 H ALA A 84 -5.166 -11.309 -3.178 1.00 43.51 H new ATOM 0 HA ALA A 84 -3.797 -13.672 -2.271 1.00 42.20 H new ATOM 0 HB1 ALA A 84 -3.557 -12.358 -0.172 1.00 21.42 H new ATOM 0 HB2 ALA A 84 -3.113 -11.400 -1.605 1.00 21.42 H new ATOM 0 HB3 ALA A 84 -4.687 -11.142 -0.815 1.00 21.42 H new ATOM 1363 N TYR A 85 -6.913 -13.239 -1.369 1.00 24.30 N ATOM 1364 CA TYR A 85 -8.107 -13.913 -0.825 1.00 3.25 C ATOM 1365 C TYR A 85 -8.334 -15.265 -1.523 1.00 10.03 C ATOM 1366 O TYR A 85 -8.844 -16.206 -0.914 1.00 4.45 O ATOM 1367 CB TYR A 85 -9.372 -12.991 -0.955 1.00 52.12 C ATOM 1368 CG TYR A 85 -9.640 -12.049 0.239 1.00 64.21 C ATOM 1369 CD1 TYR A 85 -9.105 -12.312 1.502 1.00 30.24 C ATOM 1370 CD2 TYR A 85 -10.492 -10.940 0.121 1.00 64.22 C ATOM 1371 CE1 TYR A 85 -9.398 -11.524 2.589 1.00 52.13 C ATOM 1372 CE2 TYR A 85 -10.777 -10.141 1.216 1.00 34.24 C ATOM 1373 CZ TYR A 85 -10.228 -10.445 2.447 1.00 33.41 C ATOM 1374 OH TYR A 85 -10.523 -9.683 3.548 1.00 12.55 O ATOM 0 H TYR A 85 -7.123 -12.368 -1.856 1.00 24.30 H new ATOM 0 HA TYR A 85 -7.939 -14.106 0.235 1.00 3.25 H new ATOM 0 HB2 TYR A 85 -9.266 -12.385 -1.855 1.00 52.12 H new ATOM 0 HB3 TYR A 85 -10.247 -13.625 -1.098 1.00 52.12 H new ATOM 0 HD1 TYR A 85 -8.444 -13.157 1.628 1.00 30.24 H new ATOM 0 HD2 TYR A 85 -10.932 -10.706 -0.837 1.00 64.22 H new ATOM 0 HE1 TYR A 85 -8.974 -11.756 3.555 1.00 52.13 H new ATOM 0 HE2 TYR A 85 -11.425 -9.284 1.108 1.00 34.24 H new ATOM 0 HH TYR A 85 -11.123 -8.953 3.289 1.00 12.55 H new ATOM 1384 N GLU A 86 -7.933 -15.338 -2.797 1.00 75.13 N ATOM 1385 CA GLU A 86 -8.075 -16.542 -3.622 1.00 3.20 C ATOM 1386 C GLU A 86 -6.975 -17.590 -3.277 1.00 40.32 C ATOM 1387 O GLU A 86 -5.885 -17.232 -2.788 1.00 1.54 O ATOM 1388 CB GLU A 86 -8.023 -16.121 -5.125 1.00 12.41 C ATOM 1389 CG GLU A 86 -8.173 -17.275 -6.144 1.00 73.33 C ATOM 1390 CD GLU A 86 -8.210 -16.830 -7.619 1.00 34.41 C ATOM 1391 OE1 GLU A 86 -7.579 -15.813 -7.968 1.00 23.11 O ATOM 1392 OE2 GLU A 86 -8.846 -17.531 -8.444 1.00 51.40 O ATOM 0 H GLU A 86 -7.498 -14.557 -3.288 1.00 75.13 H new ATOM 0 HA GLU A 86 -9.033 -17.021 -3.418 1.00 3.20 H new ATOM 0 HB2 GLU A 86 -8.813 -15.393 -5.308 1.00 12.41 H new ATOM 0 HB3 GLU A 86 -7.075 -15.616 -5.311 1.00 12.41 H new ATOM 0 HG2 GLU A 86 -7.345 -17.971 -6.009 1.00 73.33 H new ATOM 0 HG3 GLU A 86 -9.089 -17.822 -5.921 1.00 73.33 H new ATOM 1399 N ARG A 87 -7.312 -18.883 -3.524 1.00 2.54 N ATOM 1400 CA ARG A 87 -6.401 -20.051 -3.421 1.00 33.13 C ATOM 1401 C ARG A 87 -6.076 -20.448 -1.958 1.00 21.35 C ATOM 1402 O ARG A 87 -6.908 -21.066 -1.274 1.00 44.11 O ATOM 1403 CB ARG A 87 -5.090 -19.873 -4.272 1.00 75.31 C ATOM 1404 CG ARG A 87 -5.294 -19.805 -5.798 1.00 1.11 C ATOM 1405 CD ARG A 87 -3.963 -19.611 -6.558 1.00 12.22 C ATOM 1406 NE ARG A 87 -2.989 -20.686 -6.253 1.00 24.20 N ATOM 1407 CZ ARG A 87 -1.736 -20.770 -6.736 1.00 72.34 C ATOM 1408 NH1 ARG A 87 -1.257 -19.836 -7.564 1.00 60.02 N ATOM 1409 NH2 ARG A 87 -0.975 -21.810 -6.400 1.00 4.50 N ATOM 0 H ARG A 87 -8.255 -19.148 -3.809 1.00 2.54 H new ATOM 0 HA ARG A 87 -6.957 -20.884 -3.852 1.00 33.13 H new ATOM 0 HB2 ARG A 87 -4.589 -18.960 -3.949 1.00 75.31 H new ATOM 0 HB3 ARG A 87 -4.418 -20.702 -4.049 1.00 75.31 H new ATOM 0 HG2 ARG A 87 -5.775 -20.722 -6.140 1.00 1.11 H new ATOM 0 HG3 ARG A 87 -5.969 -18.983 -6.036 1.00 1.11 H new ATOM 0 HD2 ARG A 87 -4.157 -19.591 -7.630 1.00 12.22 H new ATOM 0 HD3 ARG A 87 -3.532 -18.645 -6.294 1.00 12.22 H new ATOM 0 HE ARG A 87 -3.295 -21.427 -5.622 1.00 24.20 H new ATOM 0 HH11 ARG A 87 -1.843 -19.047 -7.837 1.00 60.02 H new ATOM 0 HH12 ARG A 87 -0.305 -19.912 -7.923 1.00 60.02 H new ATOM 0 HH21 ARG A 87 -1.343 -22.533 -5.782 1.00 4.50 H new ATOM 0 HH22 ARG A 87 -0.024 -21.883 -6.761 1.00 4.50 H new ATOM 1423 N SER A 88 -4.892 -20.035 -1.479 1.00 65.34 N ATOM 1424 CA SER A 88 -4.217 -20.621 -0.300 1.00 43.24 C ATOM 1425 C SER A 88 -4.266 -19.681 0.927 1.00 23.53 C ATOM 1426 O SER A 88 -3.360 -19.699 1.766 1.00 42.34 O ATOM 1427 CB SER A 88 -2.765 -20.981 -0.719 1.00 42.25 C ATOM 1428 OG SER A 88 -2.127 -19.905 -1.392 1.00 15.14 O ATOM 0 H SER A 88 -4.365 -19.272 -1.904 1.00 65.34 H new ATOM 0 HA SER A 88 -4.739 -21.523 0.019 1.00 43.24 H new ATOM 0 HB2 SER A 88 -2.188 -21.250 0.166 1.00 42.25 H new ATOM 0 HB3 SER A 88 -2.781 -21.857 -1.368 1.00 42.25 H new ATOM 0 HG SER A 88 -1.216 -20.168 -1.638 1.00 15.14 H new ATOM 1434 N GLU A 89 -5.367 -18.912 1.017 1.00 30.11 N ATOM 1435 CA GLU A 89 -5.726 -18.046 2.168 1.00 41.13 C ATOM 1436 C GLU A 89 -5.639 -18.812 3.536 1.00 41.34 C ATOM 1437 O GLU A 89 -6.537 -19.596 3.891 1.00 72.31 O ATOM 1438 CB GLU A 89 -7.169 -17.488 1.934 1.00 15.43 C ATOM 1439 CG GLU A 89 -8.208 -18.568 1.529 1.00 15.12 C ATOM 1440 CD GLU A 89 -9.669 -18.101 1.620 1.00 3.20 C ATOM 1441 OE1 GLU A 89 -10.086 -17.671 2.714 1.00 43.22 O ATOM 1442 OE2 GLU A 89 -10.415 -18.207 0.626 1.00 10.12 O ATOM 0 H GLU A 89 -6.058 -18.871 0.268 1.00 30.11 H new ATOM 0 HA GLU A 89 -5.010 -17.227 2.230 1.00 41.13 H new ATOM 0 HB2 GLU A 89 -7.509 -16.996 2.845 1.00 15.43 H new ATOM 0 HB3 GLU A 89 -7.131 -16.726 1.155 1.00 15.43 H new ATOM 0 HG2 GLU A 89 -8.003 -18.888 0.507 1.00 15.12 H new ATOM 0 HG3 GLU A 89 -8.077 -19.441 2.169 1.00 15.12 H new ATOM 1449 N SER A 90 -4.527 -18.627 4.274 1.00 44.23 N ATOM 1450 CA SER A 90 -4.320 -19.233 5.613 1.00 51.14 C ATOM 1451 C SER A 90 -4.134 -18.124 6.670 1.00 52.34 C ATOM 1452 O SER A 90 -4.962 -17.972 7.583 1.00 61.31 O ATOM 1453 CB SER A 90 -3.094 -20.173 5.575 1.00 15.52 C ATOM 1454 OG SER A 90 -3.193 -21.112 4.513 1.00 12.01 O ATOM 0 H SER A 90 -3.743 -18.053 3.962 1.00 44.23 H new ATOM 0 HA SER A 90 -5.197 -19.820 5.887 1.00 51.14 H new ATOM 0 HB2 SER A 90 -2.185 -19.583 5.458 1.00 15.52 H new ATOM 0 HB3 SER A 90 -3.010 -20.702 6.524 1.00 15.52 H new ATOM 0 HG SER A 90 -3.149 -20.641 3.655 1.00 12.01 H new ATOM 1460 N LEU A 91 -3.039 -17.347 6.535 1.00 53.55 N ATOM 1461 CA LEU A 91 -2.685 -16.244 7.462 1.00 2.31 C ATOM 1462 C LEU A 91 -2.316 -14.985 6.639 1.00 1.31 C ATOM 1463 O LEU A 91 -2.443 -13.863 7.113 1.00 65.04 O ATOM 1464 CB LEU A 91 -1.496 -16.711 8.376 1.00 42.23 C ATOM 1465 CG LEU A 91 -1.231 -15.953 9.737 1.00 4.15 C ATOM 1466 CD1 LEU A 91 -0.305 -16.799 10.649 1.00 24.34 C ATOM 1467 CD2 LEU A 91 -0.628 -14.539 9.540 1.00 21.52 C ATOM 0 H LEU A 91 -2.369 -17.466 5.775 1.00 53.55 H new ATOM 0 HA LEU A 91 -3.529 -15.990 8.103 1.00 2.31 H new ATOM 0 HB2 LEU A 91 -1.656 -17.763 8.611 1.00 42.23 H new ATOM 0 HB3 LEU A 91 -0.583 -16.652 7.784 1.00 42.23 H new ATOM 0 HG LEU A 91 -2.203 -15.819 10.212 1.00 4.15 H new ATOM 0 HD11 LEU A 91 -0.130 -16.266 11.584 1.00 24.34 H new ATOM 0 HD12 LEU A 91 -0.780 -17.757 10.861 1.00 24.34 H new ATOM 0 HD13 LEU A 91 0.646 -16.969 10.144 1.00 24.34 H new ATOM 0 HD21 LEU A 91 -0.470 -14.072 10.512 1.00 21.52 H new ATOM 0 HD22 LEU A 91 0.325 -14.619 9.017 1.00 21.52 H new ATOM 0 HD23 LEU A 91 -1.314 -13.930 8.952 1.00 21.52 H new ATOM 1479 N GLU A 92 -1.952 -15.199 5.370 1.00 72.41 N ATOM 1480 CA GLU A 92 -1.247 -14.205 4.530 1.00 51.31 C ATOM 1481 C GLU A 92 -2.163 -13.017 4.191 1.00 54.23 C ATOM 1482 O GLU A 92 -1.688 -11.893 3.968 1.00 33.43 O ATOM 1483 CB GLU A 92 -0.726 -14.864 3.217 1.00 34.05 C ATOM 1484 CG GLU A 92 0.145 -16.136 3.404 1.00 44.23 C ATOM 1485 CD GLU A 92 -0.629 -17.364 3.951 1.00 52.31 C ATOM 1486 OE1 GLU A 92 -1.708 -17.692 3.401 1.00 71.41 O ATOM 1487 OE2 GLU A 92 -0.225 -17.936 4.983 1.00 42.15 O ATOM 0 H GLU A 92 -2.138 -16.077 4.884 1.00 72.41 H new ATOM 0 HA GLU A 92 -0.396 -13.834 5.101 1.00 51.31 H new ATOM 0 HB2 GLU A 92 -1.584 -15.121 2.596 1.00 34.05 H new ATOM 0 HB3 GLU A 92 -0.144 -14.125 2.667 1.00 34.05 H new ATOM 0 HG2 GLU A 92 0.592 -16.400 2.446 1.00 44.23 H new ATOM 0 HG3 GLU A 92 0.964 -15.905 4.085 1.00 44.23 H new ATOM 1494 N VAL A 93 -3.481 -13.299 4.168 1.00 11.22 N ATOM 1495 CA VAL A 93 -4.532 -12.300 3.911 1.00 13.41 C ATOM 1496 C VAL A 93 -4.570 -11.210 5.001 1.00 64.14 C ATOM 1497 O VAL A 93 -4.964 -10.096 4.711 1.00 43.55 O ATOM 1498 CB VAL A 93 -5.939 -12.994 3.779 1.00 1.34 C ATOM 1499 CG1 VAL A 93 -5.938 -13.987 2.591 1.00 74.52 C ATOM 1500 CG2 VAL A 93 -6.351 -13.699 5.098 1.00 4.20 C ATOM 0 H VAL A 93 -3.847 -14.237 4.329 1.00 11.22 H new ATOM 0 HA VAL A 93 -4.290 -11.812 2.967 1.00 13.41 H new ATOM 0 HB VAL A 93 -6.681 -12.221 3.582 1.00 1.34 H new ATOM 0 HG11 VAL A 93 -6.917 -14.460 2.511 1.00 74.52 H new ATOM 0 HG12 VAL A 93 -5.718 -13.450 1.668 1.00 74.52 H new ATOM 0 HG13 VAL A 93 -5.178 -14.751 2.756 1.00 74.52 H new ATOM 0 HG21 VAL A 93 -7.327 -14.167 4.971 1.00 4.20 H new ATOM 0 HG22 VAL A 93 -5.613 -14.461 5.349 1.00 4.20 H new ATOM 0 HG23 VAL A 93 -6.403 -12.965 5.902 1.00 4.20 H new ATOM 1510 N ALA A 94 -4.135 -11.545 6.237 1.00 54.51 N ATOM 1511 CA ALA A 94 -4.063 -10.584 7.371 1.00 41.53 C ATOM 1512 C ALA A 94 -3.139 -9.403 7.027 1.00 72.32 C ATOM 1513 O ALA A 94 -3.544 -8.216 7.149 1.00 35.54 O ATOM 1514 CB ALA A 94 -3.587 -11.301 8.647 1.00 60.10 C ATOM 0 H ALA A 94 -3.824 -12.485 6.480 1.00 54.51 H new ATOM 0 HA ALA A 94 -5.061 -10.185 7.552 1.00 41.53 H new ATOM 0 HB1 ALA A 94 -3.539 -10.587 9.469 1.00 60.10 H new ATOM 0 HB2 ALA A 94 -4.287 -12.098 8.899 1.00 60.10 H new ATOM 0 HB3 ALA A 94 -2.598 -11.727 8.478 1.00 60.10 H new ATOM 1520 N PHE A 95 -1.914 -9.749 6.567 1.00 41.51 N ATOM 1521 CA PHE A 95 -0.919 -8.768 6.100 1.00 12.13 C ATOM 1522 C PHE A 95 -1.564 -7.872 5.036 1.00 55.43 C ATOM 1523 O PHE A 95 -1.685 -6.671 5.226 1.00 51.20 O ATOM 1524 CB PHE A 95 0.345 -9.488 5.529 1.00 52.21 C ATOM 1525 CG PHE A 95 1.433 -8.537 4.989 1.00 4.13 C ATOM 1526 CD1 PHE A 95 2.416 -8.013 5.833 1.00 51.22 C ATOM 1527 CD2 PHE A 95 1.461 -8.168 3.639 1.00 12.43 C ATOM 1528 CE1 PHE A 95 3.381 -7.152 5.349 1.00 42.43 C ATOM 1529 CE2 PHE A 95 2.424 -7.308 3.156 1.00 65.32 C ATOM 1530 CZ PHE A 95 3.388 -6.802 4.010 1.00 41.23 C ATOM 0 H PHE A 95 -1.593 -10.715 6.511 1.00 41.51 H new ATOM 0 HA PHE A 95 -0.594 -8.154 6.940 1.00 12.13 H new ATOM 0 HB2 PHE A 95 0.779 -10.109 6.313 1.00 52.21 H new ATOM 0 HB3 PHE A 95 0.035 -10.158 4.727 1.00 52.21 H new ATOM 0 HD1 PHE A 95 2.421 -8.285 6.878 1.00 51.22 H new ATOM 0 HD2 PHE A 95 0.716 -8.564 2.965 1.00 12.43 H new ATOM 0 HE1 PHE A 95 4.131 -6.752 6.016 1.00 42.43 H new ATOM 0 HE2 PHE A 95 2.426 -7.030 2.113 1.00 65.32 H new ATOM 0 HZ PHE A 95 4.147 -6.133 3.631 1.00 41.23 H new ATOM 1540 N VAL A 96 -2.074 -8.514 3.978 1.00 11.00 N ATOM 1541 CA VAL A 96 -2.629 -7.823 2.802 1.00 21.20 C ATOM 1542 C VAL A 96 -3.813 -6.890 3.176 1.00 21.23 C ATOM 1543 O VAL A 96 -3.839 -5.741 2.734 1.00 23.34 O ATOM 1544 CB VAL A 96 -3.049 -8.863 1.700 1.00 34.35 C ATOM 1545 CG1 VAL A 96 -3.571 -8.159 0.429 1.00 70.03 C ATOM 1546 CG2 VAL A 96 -1.868 -9.818 1.364 1.00 15.21 C ATOM 0 H VAL A 96 -2.115 -9.531 3.911 1.00 11.00 H new ATOM 0 HA VAL A 96 -1.844 -7.186 2.395 1.00 21.20 H new ATOM 0 HB VAL A 96 -3.867 -9.461 2.102 1.00 34.35 H new ATOM 0 HG11 VAL A 96 -3.852 -8.907 -0.312 1.00 70.03 H new ATOM 0 HG12 VAL A 96 -4.441 -7.552 0.680 1.00 70.03 H new ATOM 0 HG13 VAL A 96 -2.789 -7.520 0.020 1.00 70.03 H new ATOM 0 HG21 VAL A 96 -2.181 -10.529 0.599 1.00 15.21 H new ATOM 0 HG22 VAL A 96 -1.024 -9.236 0.994 1.00 15.21 H new ATOM 0 HG23 VAL A 96 -1.571 -10.359 2.262 1.00 15.21 H new ATOM 1556 N THR A 97 -4.743 -7.362 4.048 1.00 23.44 N ATOM 1557 CA THR A 97 -5.941 -6.587 4.444 1.00 73.24 C ATOM 1558 C THR A 97 -5.534 -5.316 5.181 1.00 74.14 C ATOM 1559 O THR A 97 -5.902 -4.194 4.754 1.00 54.35 O ATOM 1560 CB THR A 97 -6.942 -7.402 5.343 1.00 23.01 C ATOM 1561 OG1 THR A 97 -6.263 -7.948 6.490 1.00 63.13 O ATOM 1562 CG2 THR A 97 -7.637 -8.529 4.565 1.00 1.13 C ATOM 0 H THR A 97 -4.682 -8.279 4.489 1.00 23.44 H new ATOM 0 HA THR A 97 -6.459 -6.342 3.517 1.00 73.24 H new ATOM 0 HB THR A 97 -7.711 -6.704 5.674 1.00 23.01 H new ATOM 0 HG1 THR A 97 -5.302 -8.002 6.306 1.00 63.13 H new ATOM 0 HG21 THR A 97 -8.318 -9.063 5.228 1.00 1.13 H new ATOM 0 HG22 THR A 97 -8.199 -8.104 3.733 1.00 1.13 H new ATOM 0 HG23 THR A 97 -6.888 -9.221 4.181 1.00 1.13 H new ATOM 1570 N GLN A 98 -4.730 -5.493 6.260 1.00 44.34 N ATOM 1571 CA GLN A 98 -4.317 -4.360 7.105 1.00 22.12 C ATOM 1572 C GLN A 98 -3.514 -3.353 6.273 1.00 72.12 C ATOM 1573 O GLN A 98 -3.774 -2.151 6.324 1.00 54.55 O ATOM 1574 CB GLN A 98 -3.487 -4.821 8.334 1.00 51.42 C ATOM 1575 CG GLN A 98 -4.185 -5.847 9.254 1.00 62.33 C ATOM 1576 CD GLN A 98 -5.612 -5.457 9.673 1.00 14.11 C ATOM 1577 OE1 GLN A 98 -5.813 -4.765 10.674 1.00 75.11 O ATOM 1578 NE2 GLN A 98 -6.606 -5.929 8.926 1.00 64.04 N ATOM 0 H GLN A 98 -4.363 -6.397 6.557 1.00 44.34 H new ATOM 0 HA GLN A 98 -5.222 -3.884 7.483 1.00 22.12 H new ATOM 0 HB2 GLN A 98 -2.552 -5.253 7.979 1.00 51.42 H new ATOM 0 HB3 GLN A 98 -3.228 -3.944 8.927 1.00 51.42 H new ATOM 0 HG2 GLN A 98 -4.220 -6.810 8.744 1.00 62.33 H new ATOM 0 HG3 GLN A 98 -3.580 -5.983 10.151 1.00 62.33 H new ATOM 0 HE21 GLN A 98 -6.401 -6.498 8.105 1.00 64.04 H new ATOM 0 HE22 GLN A 98 -7.573 -5.722 9.174 1.00 64.04 H new ATOM 1587 N LEU A 99 -2.598 -3.893 5.454 1.00 52.33 N ATOM 1588 CA LEU A 99 -1.695 -3.109 4.598 1.00 40.31 C ATOM 1589 C LEU A 99 -2.475 -2.186 3.653 1.00 71.40 C ATOM 1590 O LEU A 99 -2.289 -0.968 3.696 1.00 74.24 O ATOM 1591 CB LEU A 99 -0.729 -4.052 3.804 1.00 35.11 C ATOM 1592 CG LEU A 99 0.697 -4.240 4.414 1.00 21.40 C ATOM 1593 CD1 LEU A 99 1.535 -2.954 4.268 1.00 22.22 C ATOM 1594 CD2 LEU A 99 0.648 -4.702 5.892 1.00 62.12 C ATOM 0 H LEU A 99 -2.462 -4.900 5.367 1.00 52.33 H new ATOM 0 HA LEU A 99 -1.091 -2.472 5.244 1.00 40.31 H new ATOM 0 HB2 LEU A 99 -1.198 -5.032 3.719 1.00 35.11 H new ATOM 0 HB3 LEU A 99 -0.621 -3.661 2.792 1.00 35.11 H new ATOM 0 HG LEU A 99 1.182 -5.034 3.847 1.00 21.40 H new ATOM 0 HD11 LEU A 99 2.523 -3.112 4.701 1.00 22.22 H new ATOM 0 HD12 LEU A 99 1.637 -2.704 3.212 1.00 22.22 H new ATOM 0 HD13 LEU A 99 1.038 -2.135 4.788 1.00 22.22 H new ATOM 0 HD21 LEU A 99 1.663 -4.818 6.271 1.00 62.12 H new ATOM 0 HD22 LEU A 99 0.121 -3.957 6.489 1.00 62.12 H new ATOM 0 HD23 LEU A 99 0.125 -5.656 5.958 1.00 62.12 H new ATOM 1606 N VAL A 100 -3.369 -2.771 2.845 1.00 23.12 N ATOM 1607 CA VAL A 100 -4.069 -2.033 1.783 1.00 23.12 C ATOM 1608 C VAL A 100 -5.116 -1.036 2.355 1.00 43.43 C ATOM 1609 O VAL A 100 -5.230 0.097 1.856 1.00 55.11 O ATOM 1610 CB VAL A 100 -4.697 -3.007 0.713 1.00 53.45 C ATOM 1611 CG1 VAL A 100 -3.620 -3.957 0.139 1.00 14.34 C ATOM 1612 CG2 VAL A 100 -5.903 -3.805 1.246 1.00 3.32 C ATOM 0 H VAL A 100 -3.626 -3.756 2.906 1.00 23.12 H new ATOM 0 HA VAL A 100 -3.321 -1.432 1.266 1.00 23.12 H new ATOM 0 HB VAL A 100 -5.080 -2.375 -0.089 1.00 53.45 H new ATOM 0 HG11 VAL A 100 -4.075 -4.620 -0.597 1.00 14.34 H new ATOM 0 HG12 VAL A 100 -2.834 -3.371 -0.337 1.00 14.34 H new ATOM 0 HG13 VAL A 100 -3.191 -4.551 0.946 1.00 14.34 H new ATOM 0 HG21 VAL A 100 -6.286 -4.455 0.459 1.00 3.32 H new ATOM 0 HG22 VAL A 100 -5.591 -4.411 2.097 1.00 3.32 H new ATOM 0 HG23 VAL A 100 -6.686 -3.115 1.560 1.00 3.32 H new ATOM 1622 N LYS A 101 -5.830 -1.438 3.443 1.00 72.52 N ATOM 1623 CA LYS A 101 -6.864 -0.574 4.095 1.00 44.24 C ATOM 1624 C LYS A 101 -6.214 0.640 4.756 1.00 62.33 C ATOM 1625 O LYS A 101 -6.625 1.784 4.507 1.00 54.12 O ATOM 1626 CB LYS A 101 -7.698 -1.374 5.152 1.00 2.42 C ATOM 1627 CG LYS A 101 -8.944 -2.098 4.598 1.00 21.21 C ATOM 1628 CD LYS A 101 -8.661 -2.868 3.285 1.00 53.01 C ATOM 1629 CE LYS A 101 -9.400 -4.200 3.211 1.00 33.43 C ATOM 1630 NZ LYS A 101 -10.884 -4.043 3.238 1.00 1.14 N ATOM 0 H LYS A 101 -5.712 -2.349 3.887 1.00 72.52 H new ATOM 0 HA LYS A 101 -7.543 -0.233 3.313 1.00 44.24 H new ATOM 0 HB2 LYS A 101 -7.047 -2.112 5.621 1.00 2.42 H new ATOM 0 HB3 LYS A 101 -8.016 -0.686 5.936 1.00 2.42 H new ATOM 0 HG2 LYS A 101 -9.316 -2.795 5.349 1.00 21.21 H new ATOM 0 HG3 LYS A 101 -9.734 -1.368 4.422 1.00 21.21 H new ATOM 0 HD2 LYS A 101 -8.951 -2.249 2.436 1.00 53.01 H new ATOM 0 HD3 LYS A 101 -7.589 -3.047 3.198 1.00 53.01 H new ATOM 0 HE2 LYS A 101 -9.111 -4.720 2.297 1.00 33.43 H new ATOM 0 HE3 LYS A 101 -9.091 -4.828 4.046 1.00 33.43 H new ATOM 0 HZ1 LYS A 101 -11.333 -4.980 3.185 1.00 1.14 H new ATOM 0 HZ2 LYS A 101 -11.167 -3.572 4.121 1.00 1.14 H new ATOM 0 HZ3 LYS A 101 -11.187 -3.467 2.427 1.00 1.14 H new ATOM 1644 N LYS A 102 -5.207 0.367 5.601 1.00 31.43 N ATOM 1645 CA LYS A 102 -4.470 1.427 6.322 1.00 61.10 C ATOM 1646 C LYS A 102 -3.781 2.387 5.336 1.00 61.30 C ATOM 1647 O LYS A 102 -3.952 3.603 5.447 1.00 74.30 O ATOM 1648 CB LYS A 102 -3.420 0.832 7.301 1.00 31.34 C ATOM 1649 CG LYS A 102 -4.001 0.139 8.554 1.00 5.24 C ATOM 1650 CD LYS A 102 -4.614 1.141 9.559 1.00 53.53 C ATOM 1651 CE LYS A 102 -5.076 0.457 10.859 1.00 70.14 C ATOM 1652 NZ LYS A 102 -5.552 1.441 11.876 1.00 30.41 N ATOM 0 H LYS A 102 -4.882 -0.578 5.804 1.00 31.43 H new ATOM 0 HA LYS A 102 -5.202 1.985 6.906 1.00 61.10 H new ATOM 0 HB2 LYS A 102 -2.809 0.111 6.758 1.00 31.34 H new ATOM 0 HB3 LYS A 102 -2.755 1.633 7.625 1.00 31.34 H new ATOM 0 HG2 LYS A 102 -4.765 -0.576 8.248 1.00 5.24 H new ATOM 0 HG3 LYS A 102 -3.213 -0.429 9.048 1.00 5.24 H new ATOM 0 HD2 LYS A 102 -3.878 1.909 9.797 1.00 53.53 H new ATOM 0 HD3 LYS A 102 -5.462 1.645 9.095 1.00 53.53 H new ATOM 0 HE2 LYS A 102 -5.878 -0.246 10.633 1.00 70.14 H new ATOM 0 HE3 LYS A 102 -4.252 -0.123 11.275 1.00 70.14 H new ATOM 0 HZ1 LYS A 102 -5.853 0.936 12.734 1.00 30.41 H new ATOM 0 HZ2 LYS A 102 -4.780 2.096 12.113 1.00 30.41 H new ATOM 0 HZ3 LYS A 102 -6.355 1.977 11.491 1.00 30.41 H new ATOM 1666 N LEU A 103 -3.036 1.816 4.357 1.00 63.11 N ATOM 1667 CA LEU A 103 -2.289 2.607 3.347 1.00 42.15 C ATOM 1668 C LEU A 103 -3.234 3.515 2.540 1.00 61.11 C ATOM 1669 O LEU A 103 -2.883 4.668 2.235 1.00 14.44 O ATOM 1670 CB LEU A 103 -1.496 1.684 2.377 1.00 71.32 C ATOM 1671 CG LEU A 103 -0.540 2.406 1.376 1.00 30.33 C ATOM 1672 CD1 LEU A 103 0.605 3.134 2.121 1.00 25.24 C ATOM 1673 CD2 LEU A 103 -0.005 1.419 0.307 1.00 63.04 C ATOM 0 H LEU A 103 -2.936 0.807 4.246 1.00 63.11 H new ATOM 0 HA LEU A 103 -1.581 3.232 3.892 1.00 42.15 H new ATOM 0 HB2 LEU A 103 -0.907 0.985 2.971 1.00 71.32 H new ATOM 0 HB3 LEU A 103 -2.210 1.092 1.804 1.00 71.32 H new ATOM 0 HG LEU A 103 -1.114 3.169 0.850 1.00 30.33 H new ATOM 0 HD11 LEU A 103 1.254 3.627 1.397 1.00 25.24 H new ATOM 0 HD12 LEU A 103 0.184 3.878 2.797 1.00 25.24 H new ATOM 0 HD13 LEU A 103 1.184 2.410 2.694 1.00 25.24 H new ATOM 0 HD21 LEU A 103 0.658 1.948 -0.377 1.00 63.04 H new ATOM 0 HD22 LEU A 103 0.545 0.615 0.797 1.00 63.04 H new ATOM 0 HD23 LEU A 103 -0.842 0.999 -0.251 1.00 63.04 H new ATOM 1685 N LEU A 104 -4.435 2.980 2.205 1.00 23.02 N ATOM 1686 CA LEU A 104 -5.497 3.756 1.546 1.00 1.21 C ATOM 1687 C LEU A 104 -5.913 4.954 2.431 1.00 35.03 C ATOM 1688 O LEU A 104 -5.765 6.099 2.017 1.00 15.30 O ATOM 1689 CB LEU A 104 -6.720 2.856 1.218 1.00 23.41 C ATOM 1690 CG LEU A 104 -7.921 3.546 0.502 1.00 70.24 C ATOM 1691 CD1 LEU A 104 -7.471 4.231 -0.812 1.00 62.53 C ATOM 1692 CD2 LEU A 104 -9.072 2.534 0.261 1.00 3.21 C ATOM 0 H LEU A 104 -4.686 2.008 2.385 1.00 23.02 H new ATOM 0 HA LEU A 104 -5.108 4.143 0.604 1.00 1.21 H new ATOM 0 HB2 LEU A 104 -6.378 2.031 0.593 1.00 23.41 H new ATOM 0 HB3 LEU A 104 -7.083 2.421 2.149 1.00 23.41 H new ATOM 0 HG LEU A 104 -8.304 4.329 1.156 1.00 70.24 H new ATOM 0 HD11 LEU A 104 -8.330 4.703 -1.289 1.00 62.53 H new ATOM 0 HD12 LEU A 104 -6.718 4.987 -0.589 1.00 62.53 H new ATOM 0 HD13 LEU A 104 -7.047 3.485 -1.485 1.00 62.53 H new ATOM 0 HD21 LEU A 104 -9.900 3.037 -0.240 1.00 3.21 H new ATOM 0 HD22 LEU A 104 -8.713 1.716 -0.364 1.00 3.21 H new ATOM 0 HD23 LEU A 104 -9.414 2.137 1.217 1.00 3.21 H new ATOM 1704 N ILE A 105 -6.357 4.660 3.668 1.00 71.31 N ATOM 1705 CA ILE A 105 -6.828 5.682 4.653 1.00 54.50 C ATOM 1706 C ILE A 105 -5.759 6.788 4.924 1.00 4.14 C ATOM 1707 O ILE A 105 -6.112 7.956 5.153 1.00 44.04 O ATOM 1708 CB ILE A 105 -7.299 4.974 5.993 1.00 33.43 C ATOM 1709 CG1 ILE A 105 -8.583 4.107 5.723 1.00 12.23 C ATOM 1710 CG2 ILE A 105 -7.543 5.982 7.155 1.00 44.04 C ATOM 1711 CD1 ILE A 105 -9.042 3.268 6.906 1.00 61.23 C ATOM 0 H ILE A 105 -6.404 3.705 4.024 1.00 71.31 H new ATOM 0 HA ILE A 105 -7.684 6.195 4.215 1.00 54.50 H new ATOM 0 HB ILE A 105 -6.487 4.323 6.317 1.00 33.43 H new ATOM 0 HG12 ILE A 105 -9.397 4.769 5.427 1.00 12.23 H new ATOM 0 HG13 ILE A 105 -8.387 3.445 4.879 1.00 12.23 H new ATOM 0 HG21 ILE A 105 -7.863 5.441 8.045 1.00 44.04 H new ATOM 0 HG22 ILE A 105 -6.620 6.520 7.370 1.00 44.04 H new ATOM 0 HG23 ILE A 105 -8.317 6.692 6.864 1.00 44.04 H new ATOM 0 HD11 ILE A 105 -9.933 2.704 6.628 1.00 61.23 H new ATOM 0 HD12 ILE A 105 -8.249 2.577 7.191 1.00 61.23 H new ATOM 0 HD13 ILE A 105 -9.274 3.921 7.747 1.00 61.23 H new ATOM 1723 N ILE A 106 -4.468 6.408 4.854 1.00 41.13 N ATOM 1724 CA ILE A 106 -3.324 7.343 4.960 1.00 51.20 C ATOM 1725 C ILE A 106 -3.351 8.384 3.809 1.00 31.52 C ATOM 1726 O ILE A 106 -3.447 9.594 4.058 1.00 4.22 O ATOM 1727 CB ILE A 106 -1.953 6.545 4.972 1.00 3.42 C ATOM 1728 CG1 ILE A 106 -1.793 5.730 6.299 1.00 2.12 C ATOM 1729 CG2 ILE A 106 -0.730 7.467 4.754 1.00 23.13 C ATOM 1730 CD1 ILE A 106 -0.579 4.811 6.331 1.00 2.25 C ATOM 0 H ILE A 106 -4.185 5.437 4.721 1.00 41.13 H new ATOM 0 HA ILE A 106 -3.411 7.885 5.902 1.00 51.20 H new ATOM 0 HB ILE A 106 -1.987 5.851 4.133 1.00 3.42 H new ATOM 0 HG12 ILE A 106 -1.727 6.428 7.134 1.00 2.12 H new ATOM 0 HG13 ILE A 106 -2.691 5.131 6.454 1.00 2.12 H new ATOM 0 HG21 ILE A 106 0.183 6.871 4.771 1.00 23.13 H new ATOM 0 HG22 ILE A 106 -0.819 7.967 3.790 1.00 23.13 H new ATOM 0 HG23 ILE A 106 -0.691 8.213 5.548 1.00 23.13 H new ATOM 0 HD11 ILE A 106 -0.546 4.286 7.285 1.00 2.25 H new ATOM 0 HD12 ILE A 106 -0.650 4.086 5.520 1.00 2.25 H new ATOM 0 HD13 ILE A 106 0.328 5.403 6.211 1.00 2.25 H new ATOM 1742 N ILE A 107 -3.302 7.896 2.549 1.00 54.14 N ATOM 1743 CA ILE A 107 -3.225 8.773 1.346 1.00 74.34 C ATOM 1744 C ILE A 107 -4.601 9.346 0.930 1.00 42.22 C ATOM 1745 O ILE A 107 -4.682 10.156 -0.005 1.00 12.25 O ATOM 1746 CB ILE A 107 -2.491 8.035 0.139 1.00 62.12 C ATOM 1747 CG1 ILE A 107 -3.181 6.678 -0.289 1.00 1.31 C ATOM 1748 CG2 ILE A 107 -0.997 7.797 0.503 1.00 42.34 C ATOM 1749 CD1 ILE A 107 -4.421 6.785 -1.183 1.00 12.53 C ATOM 0 H ILE A 107 -3.314 6.899 2.333 1.00 54.14 H new ATOM 0 HA ILE A 107 -2.617 9.634 1.623 1.00 74.34 H new ATOM 0 HB ILE A 107 -2.567 8.693 -0.726 1.00 62.12 H new ATOM 0 HG12 ILE A 107 -2.440 6.069 -0.807 1.00 1.31 H new ATOM 0 HG13 ILE A 107 -3.460 6.139 0.616 1.00 1.31 H new ATOM 0 HG21 ILE A 107 -0.497 7.292 -0.324 1.00 42.34 H new ATOM 0 HG22 ILE A 107 -0.511 8.755 0.691 1.00 42.34 H new ATOM 0 HG23 ILE A 107 -0.935 7.177 1.397 1.00 42.34 H new ATOM 0 HD11 ILE A 107 -4.798 5.786 -1.404 1.00 12.53 H new ATOM 0 HD12 ILE A 107 -5.192 7.358 -0.668 1.00 12.53 H new ATOM 0 HD13 ILE A 107 -4.156 7.287 -2.114 1.00 12.53 H new ATOM 1761 N SER A 108 -5.672 8.924 1.632 1.00 0.21 N ATOM 1762 CA SER A 108 -7.053 9.361 1.354 1.00 62.35 C ATOM 1763 C SER A 108 -7.428 10.636 2.132 1.00 72.04 C ATOM 1764 O SER A 108 -6.655 11.166 2.943 1.00 74.45 O ATOM 1765 CB SER A 108 -8.052 8.217 1.686 1.00 3.22 C ATOM 1766 OG SER A 108 -7.964 7.171 0.734 1.00 24.11 O ATOM 0 H SER A 108 -5.602 8.268 2.410 1.00 0.21 H new ATOM 0 HA SER A 108 -7.112 9.600 0.292 1.00 62.35 H new ATOM 0 HB2 SER A 108 -7.843 7.825 2.682 1.00 3.22 H new ATOM 0 HB3 SER A 108 -9.068 8.611 1.705 1.00 3.22 H new ATOM 0 HG SER A 108 -7.208 6.588 0.957 1.00 24.11 H new