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 85 TYR OH : rot -15:sc= 0 USER MOD Set 1.2: A 97 THR OG1 : rot 68:sc= 0.755 USER MOD Set 2.1: A 48 GLN : amide:sc= -2.36! K(o=-2.5!,f=-0.062) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.108 K(o=-2.5,f=-0.062) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 18 MET CE :methyl -110:sc= -0.318 (180deg=-1.04) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0.644 (180deg=0.644) USER MOD Single : A 26 THR OG1 : rot 76:sc= 0.68 USER MOD Single : A 29 TYR OH : rot -12:sc= 0.345 USER MOD Single : A 33 SER OG : rot 34:sc= 0.995 USER MOD Single : A 43 SER OG : rot -140:sc= 0.218 USER MOD Single : A 46 HIS : no HE2:sc= -0.592 K(o=-0.59,f=-1.7) USER MOD Single : A 47 HIS : no HD1:sc= -0.379 K(o=-0.38,f=-0.97) USER MOD Single : A 56 CYS SG : rot 112:sc= 0.123 USER MOD Single : A 58 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ -131:sc= 0.415 (180deg=-0.0256) USER MOD Single : A 60 SER OG : rot 160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 31:sc= 0.295 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0339 K(o=-0.034,f=-0.58) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.575 K(o=-0.58,f=-0.02) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc=-0.00908 X(o=-0.0091,f=-0.11) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ALA A 14 -2.709 17.679 4.037 1.00 3.35 N ATOM 218 CA ALA A 14 -2.768 16.221 4.286 1.00 55.14 C ATOM 219 C ALA A 14 -1.457 15.531 3.883 1.00 14.44 C ATOM 220 O ALA A 14 -0.993 14.638 4.580 1.00 44.45 O ATOM 221 CB ALA A 14 -3.940 15.578 3.519 1.00 24.21 C ATOM 0 HA ALA A 14 -2.922 16.085 5.356 1.00 55.14 H new ATOM 0 HB1 ALA A 14 -3.961 14.507 3.719 1.00 24.21 H new ATOM 0 HB2 ALA A 14 -4.878 16.027 3.845 1.00 24.21 H new ATOM 0 HB3 ALA A 14 -3.810 15.745 2.450 1.00 24.21 H new ATOM 227 N THR A 15 -0.882 16.002 2.767 1.00 44.24 N ATOM 228 CA THR A 15 0.275 15.395 2.083 1.00 32.43 C ATOM 229 C THR A 15 1.470 15.054 3.023 1.00 52.34 C ATOM 230 O THR A 15 1.901 13.900 3.068 1.00 33.02 O ATOM 231 CB THR A 15 0.739 16.351 0.936 1.00 60.32 C ATOM 232 OG1 THR A 15 0.894 17.680 1.465 1.00 0.13 O ATOM 233 CG2 THR A 15 -0.264 16.384 -0.240 1.00 13.04 C ATOM 0 H THR A 15 -1.219 16.843 2.298 1.00 44.24 H new ATOM 0 HA THR A 15 -0.058 14.436 1.685 1.00 32.43 H new ATOM 0 HB THR A 15 1.686 15.974 0.551 1.00 60.32 H new ATOM 0 HG1 THR A 15 1.187 18.284 0.751 1.00 0.13 H new ATOM 0 HG21 THR A 15 0.102 17.062 -1.011 1.00 13.04 H new ATOM 0 HG22 THR A 15 -0.369 15.382 -0.657 1.00 13.04 H new ATOM 0 HG23 THR A 15 -1.233 16.731 0.118 1.00 13.04 H new ATOM 241 N ALA A 16 1.972 16.058 3.770 1.00 61.32 N ATOM 242 CA ALA A 16 3.169 15.911 4.645 1.00 64.14 C ATOM 243 C ALA A 16 2.936 14.921 5.815 1.00 2.40 C ATOM 244 O ALA A 16 3.821 14.128 6.173 1.00 20.33 O ATOM 245 CB ALA A 16 3.581 17.296 5.172 1.00 31.35 C ATOM 0 H ALA A 16 1.566 16.993 3.789 1.00 61.32 H new ATOM 0 HA ALA A 16 3.975 15.487 4.046 1.00 64.14 H new ATOM 0 HB1 ALA A 16 4.457 17.196 5.813 1.00 31.35 H new ATOM 0 HB2 ALA A 16 3.819 17.949 4.332 1.00 31.35 H new ATOM 0 HB3 ALA A 16 2.759 17.727 5.745 1.00 31.35 H new ATOM 251 N GLN A 17 1.724 14.960 6.390 1.00 42.21 N ATOM 252 CA GLN A 17 1.352 14.116 7.550 1.00 55.11 C ATOM 253 C GLN A 17 1.051 12.671 7.113 1.00 62.43 C ATOM 254 O GLN A 17 1.333 11.716 7.848 1.00 3.01 O ATOM 255 CB GLN A 17 0.139 14.733 8.282 1.00 3.11 C ATOM 256 CG GLN A 17 0.415 16.142 8.838 1.00 74.34 C ATOM 257 CD GLN A 17 -0.713 16.709 9.692 1.00 34.01 C ATOM 258 OE1 GLN A 17 -1.465 15.974 10.332 1.00 52.40 O ATOM 259 NE2 GLN A 17 -0.808 18.020 9.735 1.00 43.13 N ATOM 0 H GLN A 17 0.973 15.572 6.070 1.00 42.21 H new ATOM 0 HA GLN A 17 2.197 14.081 8.237 1.00 55.11 H new ATOM 0 HB2 GLN A 17 -0.706 14.780 7.595 1.00 3.11 H new ATOM 0 HB3 GLN A 17 -0.154 14.077 9.102 1.00 3.11 H new ATOM 0 HG2 GLN A 17 1.327 16.113 9.434 1.00 74.34 H new ATOM 0 HG3 GLN A 17 0.600 16.819 8.004 1.00 74.34 H new ATOM 0 HE21 GLN A 17 -0.166 18.596 9.190 1.00 43.13 H new ATOM 0 HE22 GLN A 17 -1.523 18.461 10.313 1.00 43.13 H new ATOM 268 N MET A 18 0.472 12.544 5.909 1.00 70.42 N ATOM 269 CA MET A 18 0.232 11.255 5.235 1.00 10.40 C ATOM 270 C MET A 18 1.579 10.566 4.955 1.00 30.22 C ATOM 271 O MET A 18 1.747 9.386 5.221 1.00 71.23 O ATOM 272 CB MET A 18 -0.523 11.506 3.900 1.00 72.45 C ATOM 273 CG MET A 18 -0.796 10.258 3.046 1.00 0.15 C ATOM 274 SD MET A 18 -1.110 10.662 1.312 1.00 51.50 S ATOM 275 CE MET A 18 0.471 11.374 0.835 1.00 4.54 C ATOM 0 H MET A 18 0.152 13.346 5.366 1.00 70.42 H new ATOM 0 HA MET A 18 -0.373 10.611 5.874 1.00 10.40 H new ATOM 0 HB2 MET A 18 -1.476 11.984 4.127 1.00 72.45 H new ATOM 0 HB3 MET A 18 0.055 12.213 3.304 1.00 72.45 H new ATOM 0 HG2 MET A 18 0.058 9.584 3.110 1.00 0.15 H new ATOM 0 HG3 MET A 18 -1.655 9.724 3.453 1.00 0.15 H new ATOM 0 HE1 MET A 18 0.354 12.446 0.674 1.00 4.54 H new ATOM 0 HE2 MET A 18 1.200 11.204 1.627 1.00 4.54 H new ATOM 0 HE3 MET A 18 0.818 10.905 -0.085 1.00 4.54 H new ATOM 285 N GLU A 19 2.518 11.374 4.435 1.00 53.31 N ATOM 286 CA GLU A 19 3.907 10.990 4.116 1.00 75.22 C ATOM 287 C GLU A 19 4.642 10.492 5.384 1.00 14.42 C ATOM 288 O GLU A 19 5.288 9.431 5.356 1.00 42.33 O ATOM 289 CB GLU A 19 4.564 12.242 3.445 1.00 43.11 C ATOM 290 CG GLU A 19 6.065 12.163 3.072 1.00 54.21 C ATOM 291 CD GLU A 19 7.012 12.716 4.157 1.00 72.14 C ATOM 292 OE1 GLU A 19 7.285 13.940 4.156 1.00 72.22 O ATOM 293 OE2 GLU A 19 7.496 11.931 5.004 1.00 2.00 O ATOM 0 H GLU A 19 2.325 12.351 4.216 1.00 53.31 H new ATOM 0 HA GLU A 19 3.960 10.149 3.425 1.00 75.22 H new ATOM 0 HB2 GLU A 19 4.005 12.465 2.536 1.00 43.11 H new ATOM 0 HB3 GLU A 19 4.431 13.090 4.117 1.00 43.11 H new ATOM 0 HG2 GLU A 19 6.325 11.123 2.873 1.00 54.21 H new ATOM 0 HG3 GLU A 19 6.228 12.715 2.146 1.00 54.21 H new ATOM 300 N GLU A 20 4.498 11.234 6.510 1.00 73.25 N ATOM 301 CA GLU A 20 5.120 10.839 7.799 1.00 11.43 C ATOM 302 C GLU A 20 4.500 9.536 8.353 1.00 52.13 C ATOM 303 O GLU A 20 5.223 8.648 8.843 1.00 5.15 O ATOM 304 CB GLU A 20 5.041 11.971 8.868 1.00 55.51 C ATOM 305 CG GLU A 20 5.706 11.592 10.219 1.00 74.02 C ATOM 306 CD GLU A 20 5.797 12.751 11.224 1.00 52.34 C ATOM 307 OE1 GLU A 20 6.803 13.487 11.206 1.00 23.12 O ATOM 308 OE2 GLU A 20 4.867 12.926 12.043 1.00 13.41 O ATOM 0 H GLU A 20 3.962 12.101 6.552 1.00 73.25 H new ATOM 0 HA GLU A 20 6.174 10.659 7.586 1.00 11.43 H new ATOM 0 HB2 GLU A 20 5.521 12.867 8.474 1.00 55.51 H new ATOM 0 HB3 GLU A 20 3.995 12.222 9.044 1.00 55.51 H new ATOM 0 HG2 GLU A 20 5.142 10.776 10.672 1.00 74.02 H new ATOM 0 HG3 GLU A 20 6.710 11.216 10.024 1.00 74.02 H new ATOM 315 N LYS A 21 3.161 9.414 8.270 1.00 14.23 N ATOM 316 CA LYS A 21 2.453 8.206 8.748 1.00 5.10 C ATOM 317 C LYS A 21 2.705 7.002 7.810 1.00 73.23 C ATOM 318 O LYS A 21 2.665 5.843 8.245 1.00 10.32 O ATOM 319 CB LYS A 21 0.931 8.477 8.918 1.00 24.01 C ATOM 320 CG LYS A 21 0.143 7.291 9.534 1.00 75.22 C ATOM 321 CD LYS A 21 0.683 6.868 10.928 1.00 34.22 C ATOM 322 CE LYS A 21 0.019 5.593 11.472 1.00 25.12 C ATOM 323 NZ LYS A 21 0.611 5.187 12.777 1.00 24.32 N ATOM 0 H LYS A 21 2.549 10.131 7.879 1.00 14.23 H new ATOM 0 HA LYS A 21 2.856 7.952 9.728 1.00 5.10 H new ATOM 0 HB2 LYS A 21 0.797 9.355 9.549 1.00 24.01 H new ATOM 0 HB3 LYS A 21 0.504 8.716 7.944 1.00 24.01 H new ATOM 0 HG2 LYS A 21 -0.908 7.567 9.625 1.00 75.22 H new ATOM 0 HG3 LYS A 21 0.191 6.438 8.857 1.00 75.22 H new ATOM 0 HD2 LYS A 21 1.759 6.709 10.861 1.00 34.22 H new ATOM 0 HD3 LYS A 21 0.524 7.683 11.635 1.00 34.22 H new ATOM 0 HE2 LYS A 21 -1.051 5.761 11.593 1.00 25.12 H new ATOM 0 HE3 LYS A 21 0.135 4.784 10.751 1.00 25.12 H new ATOM 0 HZ1 LYS A 21 0.130 4.333 13.126 1.00 24.32 H new ATOM 0 HZ2 LYS A 21 1.624 4.987 12.652 1.00 24.32 H new ATOM 0 HZ3 LYS A 21 0.493 5.957 13.466 1.00 24.32 H new ATOM 337 N LEU A 22 2.998 7.294 6.535 1.00 52.31 N ATOM 338 CA LEU A 22 3.320 6.270 5.533 1.00 33.44 C ATOM 339 C LEU A 22 4.712 5.695 5.820 1.00 52.22 C ATOM 340 O LEU A 22 4.905 4.482 5.754 1.00 10.24 O ATOM 341 CB LEU A 22 3.218 6.868 4.089 1.00 43.52 C ATOM 342 CG LEU A 22 3.336 5.861 2.881 1.00 30.22 C ATOM 343 CD1 LEU A 22 2.664 6.421 1.604 1.00 24.30 C ATOM 344 CD2 LEU A 22 4.804 5.470 2.581 1.00 51.03 C ATOM 0 H LEU A 22 3.018 8.246 6.170 1.00 52.31 H new ATOM 0 HA LEU A 22 2.598 5.455 5.594 1.00 33.44 H new ATOM 0 HB2 LEU A 22 2.263 7.386 4.005 1.00 43.52 H new ATOM 0 HB3 LEU A 22 3.999 7.620 3.979 1.00 43.52 H new ATOM 0 HG LEU A 22 2.806 4.959 3.186 1.00 30.22 H new ATOM 0 HD11 LEU A 22 2.766 5.700 0.793 1.00 24.30 H new ATOM 0 HD12 LEU A 22 1.607 6.602 1.799 1.00 24.30 H new ATOM 0 HD13 LEU A 22 3.146 7.357 1.320 1.00 24.30 H new ATOM 0 HD21 LEU A 22 4.831 4.775 1.741 1.00 51.03 H new ATOM 0 HD22 LEU A 22 5.375 6.364 2.331 1.00 51.03 H new ATOM 0 HD23 LEU A 22 5.241 4.995 3.459 1.00 51.03 H new ATOM 356 N ARG A 23 5.694 6.567 6.116 1.00 44.10 N ATOM 357 CA ARG A 23 7.063 6.109 6.414 1.00 24.41 C ATOM 358 C ARG A 23 7.116 5.424 7.801 1.00 72.21 C ATOM 359 O ARG A 23 7.923 4.517 8.013 1.00 22.44 O ATOM 360 CB ARG A 23 8.067 7.285 6.278 1.00 33.41 C ATOM 361 CG ARG A 23 8.055 8.326 7.412 1.00 41.44 C ATOM 362 CD ARG A 23 8.835 9.608 7.056 1.00 14.22 C ATOM 363 NE ARG A 23 10.222 9.339 6.603 1.00 50.33 N ATOM 364 CZ ARG A 23 10.818 9.899 5.528 1.00 34.15 C ATOM 365 NH1 ARG A 23 10.155 10.751 4.743 1.00 61.11 N ATOM 366 NH2 ARG A 23 12.076 9.580 5.239 1.00 12.23 N ATOM 0 H ARG A 23 5.568 7.578 6.155 1.00 44.10 H new ATOM 0 HA ARG A 23 7.361 5.356 5.684 1.00 24.41 H new ATOM 0 HB2 ARG A 23 9.072 6.870 6.205 1.00 33.41 H new ATOM 0 HB3 ARG A 23 7.866 7.800 5.339 1.00 33.41 H new ATOM 0 HG2 ARG A 23 7.023 8.588 7.648 1.00 41.44 H new ATOM 0 HG3 ARG A 23 8.485 7.883 8.310 1.00 41.44 H new ATOM 0 HD2 ARG A 23 8.301 10.145 6.272 1.00 14.22 H new ATOM 0 HD3 ARG A 23 8.864 10.262 7.927 1.00 14.22 H new ATOM 0 HE ARG A 23 10.772 8.676 7.149 1.00 50.33 H new ATOM 0 HH11 ARG A 23 9.185 10.987 4.952 1.00 61.11 H new ATOM 0 HH12 ARG A 23 10.619 11.166 3.935 1.00 61.11 H new ATOM 0 HH21 ARG A 23 12.582 8.918 5.827 1.00 12.23 H new ATOM 0 HH22 ARG A 23 12.535 9.997 4.429 1.00 12.23 H new ATOM 380 N ASP A 24 6.208 5.849 8.717 1.00 4.30 N ATOM 381 CA ASP A 24 5.973 5.186 10.028 1.00 1.00 C ATOM 382 C ASP A 24 5.493 3.736 9.816 1.00 41.40 C ATOM 383 O ASP A 24 6.002 2.792 10.438 1.00 41.43 O ATOM 384 CB ASP A 24 4.916 5.991 10.832 1.00 15.23 C ATOM 385 CG ASP A 24 4.562 5.376 12.202 1.00 3.41 C ATOM 386 OD1 ASP A 24 5.308 5.617 13.180 1.00 60.34 O ATOM 387 OD2 ASP A 24 3.528 4.670 12.311 1.00 3.31 O ATOM 0 H ASP A 24 5.615 6.665 8.567 1.00 4.30 H new ATOM 0 HA ASP A 24 6.907 5.159 10.589 1.00 1.00 H new ATOM 0 HB2 ASP A 24 5.287 7.004 10.986 1.00 15.23 H new ATOM 0 HB3 ASP A 24 4.007 6.072 10.236 1.00 15.23 H new ATOM 392 N PHE A 25 4.498 3.614 8.922 1.00 51.22 N ATOM 393 CA PHE A 25 3.939 2.339 8.442 1.00 54.20 C ATOM 394 C PHE A 25 5.076 1.440 7.907 1.00 21.33 C ATOM 395 O PHE A 25 5.369 0.385 8.474 1.00 14.42 O ATOM 396 CB PHE A 25 2.860 2.682 7.352 1.00 23.44 C ATOM 397 CG PHE A 25 2.242 1.539 6.527 1.00 31.44 C ATOM 398 CD1 PHE A 25 2.838 1.110 5.332 1.00 33.33 C ATOM 399 CD2 PHE A 25 1.044 0.927 6.914 1.00 21.34 C ATOM 400 CE1 PHE A 25 2.259 0.119 4.557 1.00 23.22 C ATOM 401 CE2 PHE A 25 0.462 -0.057 6.130 1.00 32.43 C ATOM 402 CZ PHE A 25 1.076 -0.466 4.958 1.00 10.11 C ATOM 0 H PHE A 25 4.046 4.425 8.500 1.00 51.22 H new ATOM 0 HA PHE A 25 3.458 1.776 9.242 1.00 54.20 H new ATOM 0 HB2 PHE A 25 2.044 3.206 7.850 1.00 23.44 H new ATOM 0 HB3 PHE A 25 3.311 3.386 6.653 1.00 23.44 H new ATOM 0 HD1 PHE A 25 3.765 1.561 5.010 1.00 33.33 H new ATOM 0 HD2 PHE A 25 0.567 1.225 7.836 1.00 21.34 H new ATOM 0 HE1 PHE A 25 2.733 -0.196 3.639 1.00 23.22 H new ATOM 0 HE2 PHE A 25 -0.472 -0.506 6.434 1.00 32.43 H new ATOM 0 HZ PHE A 25 0.628 -1.244 4.357 1.00 10.11 H new ATOM 412 N THR A 26 5.792 1.957 6.902 1.00 11.34 N ATOM 413 CA THR A 26 6.727 1.176 6.082 1.00 44.24 C ATOM 414 C THR A 26 8.067 0.861 6.815 1.00 74.14 C ATOM 415 O THR A 26 8.747 -0.108 6.463 1.00 51.14 O ATOM 416 CB THR A 26 6.982 1.928 4.732 1.00 62.45 C ATOM 417 OG1 THR A 26 5.731 2.280 4.117 1.00 5.20 O ATOM 418 CG2 THR A 26 7.765 1.082 3.734 1.00 31.43 C ATOM 0 H THR A 26 5.739 2.939 6.632 1.00 11.34 H new ATOM 0 HA THR A 26 6.267 0.208 5.883 1.00 44.24 H new ATOM 0 HB THR A 26 7.565 2.815 4.979 1.00 62.45 H new ATOM 0 HG1 THR A 26 5.341 3.048 4.585 1.00 5.20 H new ATOM 0 HG21 THR A 26 7.915 1.649 2.815 1.00 31.43 H new ATOM 0 HG22 THR A 26 8.733 0.819 4.160 1.00 31.43 H new ATOM 0 HG23 THR A 26 7.207 0.172 3.512 1.00 31.43 H new ATOM 426 N ARG A 27 8.425 1.669 7.841 1.00 10.32 N ATOM 427 CA ARG A 27 9.655 1.450 8.664 1.00 4.15 C ATOM 428 C ARG A 27 9.653 0.072 9.372 1.00 64.22 C ATOM 429 O ARG A 27 10.715 -0.533 9.563 1.00 12.14 O ATOM 430 CB ARG A 27 9.834 2.584 9.738 1.00 53.13 C ATOM 431 CG ARG A 27 10.770 3.753 9.345 1.00 55.43 C ATOM 432 CD ARG A 27 12.206 3.286 9.013 1.00 15.43 C ATOM 433 NE ARG A 27 13.184 4.390 9.103 1.00 40.05 N ATOM 434 CZ ARG A 27 14.140 4.682 8.206 1.00 21.43 C ATOM 435 NH1 ARG A 27 14.286 3.973 7.090 1.00 32.14 N ATOM 436 NH2 ARG A 27 14.983 5.670 8.468 1.00 3.53 N ATOM 0 H ARG A 27 7.881 2.484 8.125 1.00 10.32 H new ATOM 0 HA ARG A 27 10.493 1.476 7.967 1.00 4.15 H new ATOM 0 HB2 ARG A 27 8.851 2.995 9.970 1.00 53.13 H new ATOM 0 HB3 ARG A 27 10.215 2.132 10.654 1.00 53.13 H new ATOM 0 HG2 ARG A 27 10.353 4.272 8.482 1.00 55.43 H new ATOM 0 HG3 ARG A 27 10.807 4.473 10.162 1.00 55.43 H new ATOM 0 HD2 ARG A 27 12.495 2.489 9.698 1.00 15.43 H new ATOM 0 HD3 ARG A 27 12.227 2.865 8.008 1.00 15.43 H new ATOM 0 HE ARG A 27 13.128 4.989 9.927 1.00 40.05 H new ATOM 0 HH11 ARG A 27 13.664 3.187 6.900 1.00 32.14 H new ATOM 0 HH12 ARG A 27 15.020 4.215 6.424 1.00 32.14 H new ATOM 0 HH21 ARG A 27 14.899 6.194 9.339 1.00 3.53 H new ATOM 0 HH22 ARG A 27 15.716 5.906 7.799 1.00 3.53 H new ATOM 450 N ALA A 28 8.452 -0.400 9.745 1.00 41.24 N ATOM 451 CA ALA A 28 8.265 -1.595 10.589 1.00 31.54 C ATOM 452 C ALA A 28 8.683 -2.911 9.880 1.00 42.33 C ATOM 453 O ALA A 28 9.006 -3.898 10.551 1.00 13.45 O ATOM 454 CB ALA A 28 6.793 -1.660 11.042 1.00 13.22 C ATOM 0 H ALA A 28 7.575 0.040 9.467 1.00 41.24 H new ATOM 0 HA ALA A 28 8.922 -1.501 11.454 1.00 31.54 H new ATOM 0 HB1 ALA A 28 6.643 -2.540 11.667 1.00 13.22 H new ATOM 0 HB2 ALA A 28 6.548 -0.764 11.612 1.00 13.22 H new ATOM 0 HB3 ALA A 28 6.146 -1.722 10.167 1.00 13.22 H new ATOM 460 N TYR A 29 8.685 -2.906 8.528 1.00 61.12 N ATOM 461 CA TYR A 29 8.872 -4.136 7.711 1.00 52.13 C ATOM 462 C TYR A 29 9.524 -3.842 6.342 1.00 4.53 C ATOM 463 O TYR A 29 9.752 -2.689 5.960 1.00 25.21 O ATOM 464 CB TYR A 29 7.506 -4.901 7.540 1.00 51.32 C ATOM 465 CG TYR A 29 6.261 -3.997 7.568 1.00 15.45 C ATOM 466 CD1 TYR A 29 6.066 -2.997 6.611 1.00 23.23 C ATOM 467 CD2 TYR A 29 5.303 -4.115 8.583 1.00 15.13 C ATOM 468 CE1 TYR A 29 4.974 -2.160 6.672 1.00 54.53 C ATOM 469 CE2 TYR A 29 4.206 -3.281 8.633 1.00 33.02 C ATOM 470 CZ TYR A 29 4.054 -2.311 7.680 1.00 53.51 C ATOM 471 OH TYR A 29 2.980 -1.463 7.749 1.00 14.30 O ATOM 0 H TYR A 29 8.559 -2.060 7.973 1.00 61.12 H new ATOM 0 HA TYR A 29 9.565 -4.780 8.252 1.00 52.13 H new ATOM 0 HB2 TYR A 29 7.524 -5.444 6.595 1.00 51.32 H new ATOM 0 HB3 TYR A 29 7.418 -5.644 8.333 1.00 51.32 H new ATOM 0 HD1 TYR A 29 6.783 -2.879 5.812 1.00 23.23 H new ATOM 0 HD2 TYR A 29 5.426 -4.874 9.341 1.00 15.13 H new ATOM 0 HE1 TYR A 29 4.842 -1.387 5.929 1.00 54.53 H new ATOM 0 HE2 TYR A 29 3.473 -3.393 9.418 1.00 33.02 H new ATOM 0 HH TYR A 29 3.119 -0.708 7.140 1.00 14.30 H new ATOM 481 N GLU A 30 9.816 -4.934 5.618 1.00 2.42 N ATOM 482 CA GLU A 30 10.477 -4.924 4.302 1.00 55.44 C ATOM 483 C GLU A 30 9.590 -5.673 3.254 1.00 34.34 C ATOM 484 O GLU A 30 8.757 -6.503 3.649 1.00 2.10 O ATOM 485 CB GLU A 30 11.912 -5.526 4.462 1.00 30.12 C ATOM 486 CG GLU A 30 11.991 -6.891 5.170 1.00 3.43 C ATOM 487 CD GLU A 30 13.425 -7.280 5.558 1.00 74.31 C ATOM 488 OE1 GLU A 30 13.990 -6.642 6.481 1.00 61.23 O ATOM 489 OE2 GLU A 30 13.999 -8.208 4.949 1.00 32.23 O ATOM 0 H GLU A 30 9.593 -5.875 5.941 1.00 2.42 H new ATOM 0 HA GLU A 30 10.592 -3.909 3.922 1.00 55.44 H new ATOM 0 HB2 GLU A 30 12.356 -5.625 3.472 1.00 30.12 H new ATOM 0 HB3 GLU A 30 12.524 -4.815 5.016 1.00 30.12 H new ATOM 0 HG2 GLU A 30 11.371 -6.866 6.066 1.00 3.43 H new ATOM 0 HG3 GLU A 30 11.576 -7.658 4.517 1.00 3.43 H new ATOM 496 N PRO A 31 9.754 -5.392 1.906 1.00 42.33 N ATOM 497 CA PRO A 31 8.729 -5.725 0.861 1.00 23.11 C ATOM 498 C PRO A 31 8.498 -7.216 0.599 1.00 1.53 C ATOM 499 O PRO A 31 7.381 -7.613 0.225 1.00 43.13 O ATOM 500 CB PRO A 31 9.282 -5.021 -0.407 1.00 31.35 C ATOM 501 CG PRO A 31 10.757 -4.982 -0.202 1.00 70.43 C ATOM 502 CD PRO A 31 10.944 -4.735 1.277 1.00 52.12 C ATOM 0 HA PRO A 31 7.742 -5.394 1.185 1.00 23.11 H new ATOM 0 HB2 PRO A 31 9.022 -5.571 -1.311 1.00 31.35 H new ATOM 0 HB3 PRO A 31 8.870 -4.018 -0.515 1.00 31.35 H new ATOM 0 HG2 PRO A 31 11.222 -5.920 -0.507 1.00 70.43 H new ATOM 0 HG3 PRO A 31 11.216 -4.191 -0.795 1.00 70.43 H new ATOM 0 HD2 PRO A 31 11.877 -5.167 1.639 1.00 52.12 H new ATOM 0 HD3 PRO A 31 10.978 -3.669 1.503 1.00 52.12 H new ATOM 510 N ASP A 32 9.538 -8.019 0.764 1.00 51.14 N ATOM 511 CA ASP A 32 9.504 -9.443 0.420 1.00 52.03 C ATOM 512 C ASP A 32 8.519 -10.214 1.321 1.00 54.42 C ATOM 513 O ASP A 32 7.425 -10.619 0.876 1.00 64.25 O ATOM 514 CB ASP A 32 10.942 -10.039 0.526 1.00 70.21 C ATOM 515 CG ASP A 32 12.022 -9.374 -0.362 1.00 2.25 C ATOM 516 OD1 ASP A 32 11.715 -8.439 -1.150 1.00 3.20 O ATOM 517 OD2 ASP A 32 13.200 -9.778 -0.261 1.00 24.12 O ATOM 0 H ASP A 32 10.433 -7.707 1.140 1.00 51.14 H new ATOM 0 HA ASP A 32 9.150 -9.547 -0.606 1.00 52.03 H new ATOM 0 HB2 ASP A 32 11.265 -9.974 1.565 1.00 70.21 H new ATOM 0 HB3 ASP A 32 10.894 -11.098 0.273 1.00 70.21 H new ATOM 522 N SER A 33 8.861 -10.318 2.601 1.00 62.34 N ATOM 523 CA SER A 33 8.233 -11.282 3.535 1.00 54.02 C ATOM 524 C SER A 33 8.050 -10.664 4.938 1.00 25.43 C ATOM 525 O SER A 33 8.880 -9.879 5.354 1.00 42.53 O ATOM 526 CB SER A 33 9.142 -12.532 3.617 1.00 21.21 C ATOM 527 OG SER A 33 8.635 -13.504 4.525 1.00 55.13 O ATOM 0 H SER A 33 9.582 -9.740 3.033 1.00 62.34 H new ATOM 0 HA SER A 33 7.243 -11.552 3.167 1.00 54.02 H new ATOM 0 HB2 SER A 33 9.237 -12.977 2.626 1.00 21.21 H new ATOM 0 HB3 SER A 33 10.143 -12.232 3.929 1.00 21.21 H new ATOM 0 HG SER A 33 7.655 -13.493 4.502 1.00 55.13 H new ATOM 533 N VAL A 34 6.902 -10.970 5.582 1.00 34.21 N ATOM 534 CA VAL A 34 6.643 -10.797 7.039 1.00 70.02 C ATOM 535 C VAL A 34 6.162 -12.173 7.513 1.00 22.44 C ATOM 536 O VAL A 34 6.830 -12.838 8.299 1.00 1.10 O ATOM 537 CB VAL A 34 5.560 -9.686 7.360 1.00 30.13 C ATOM 538 CG1 VAL A 34 5.183 -9.671 8.872 1.00 31.35 C ATOM 539 CG2 VAL A 34 6.047 -8.264 6.899 1.00 3.51 C ATOM 0 H VAL A 34 6.098 -11.358 5.089 1.00 34.21 H new ATOM 0 HA VAL A 34 7.544 -10.455 7.549 1.00 70.02 H new ATOM 0 HB VAL A 34 4.664 -9.940 6.794 1.00 30.13 H new ATOM 0 HG11 VAL A 34 4.438 -8.896 9.054 1.00 31.35 H new ATOM 0 HG12 VAL A 34 4.774 -10.641 9.155 1.00 31.35 H new ATOM 0 HG13 VAL A 34 6.073 -9.465 9.467 1.00 31.35 H new ATOM 0 HG21 VAL A 34 5.282 -7.524 7.133 1.00 3.51 H new ATOM 0 HG22 VAL A 34 6.970 -8.009 7.420 1.00 3.51 H new ATOM 0 HG23 VAL A 34 6.227 -8.272 5.824 1.00 3.51 H new ATOM 549 N LEU A 35 5.002 -12.596 6.961 1.00 23.52 N ATOM 550 CA LEU A 35 4.614 -14.007 6.878 1.00 30.43 C ATOM 551 C LEU A 35 5.454 -14.668 5.759 1.00 1.44 C ATOM 552 O LEU A 35 5.898 -13.956 4.852 1.00 14.33 O ATOM 553 CB LEU A 35 3.089 -14.164 6.580 1.00 33.25 C ATOM 554 CG LEU A 35 2.085 -13.932 7.764 1.00 71.14 C ATOM 555 CD1 LEU A 35 2.303 -14.955 8.914 1.00 63.00 C ATOM 556 CD2 LEU A 35 2.147 -12.495 8.281 1.00 64.21 C ATOM 0 H LEU A 35 4.312 -11.960 6.562 1.00 23.52 H new ATOM 0 HA LEU A 35 4.803 -14.493 7.835 1.00 30.43 H new ATOM 0 HB2 LEU A 35 2.831 -13.470 5.781 1.00 33.25 H new ATOM 0 HB3 LEU A 35 2.925 -15.170 6.194 1.00 33.25 H new ATOM 0 HG LEU A 35 1.083 -14.096 7.369 1.00 71.14 H new ATOM 0 HD11 LEU A 35 1.589 -14.761 9.714 1.00 63.00 H new ATOM 0 HD12 LEU A 35 2.156 -15.966 8.534 1.00 63.00 H new ATOM 0 HD13 LEU A 35 3.317 -14.857 9.301 1.00 63.00 H new ATOM 0 HD21 LEU A 35 1.438 -12.372 9.100 1.00 64.21 H new ATOM 0 HD22 LEU A 35 3.154 -12.280 8.637 1.00 64.21 H new ATOM 0 HD23 LEU A 35 1.893 -11.807 7.475 1.00 64.21 H new ATOM 568 N PRO A 36 5.710 -16.032 5.816 1.00 43.22 N ATOM 569 CA PRO A 36 6.280 -16.825 4.673 1.00 12.31 C ATOM 570 C PRO A 36 5.522 -16.617 3.341 1.00 1.41 C ATOM 571 O PRO A 36 6.110 -16.770 2.254 1.00 24.43 O ATOM 572 CB PRO A 36 6.151 -18.284 5.170 1.00 42.31 C ATOM 573 CG PRO A 36 6.260 -18.170 6.666 1.00 24.24 C ATOM 574 CD PRO A 36 5.531 -16.893 7.025 1.00 2.21 C ATOM 0 HA PRO A 36 7.301 -16.524 4.437 1.00 12.31 H new ATOM 0 HB2 PRO A 36 5.200 -18.725 4.872 1.00 42.31 H new ATOM 0 HB3 PRO A 36 6.938 -18.917 4.760 1.00 42.31 H new ATOM 0 HG2 PRO A 36 5.810 -19.031 7.160 1.00 24.24 H new ATOM 0 HG3 PRO A 36 7.302 -18.130 6.982 1.00 24.24 H new ATOM 0 HD2 PRO A 36 4.477 -17.078 7.232 1.00 2.21 H new ATOM 0 HD3 PRO A 36 5.954 -16.427 7.915 1.00 2.21 H new ATOM 582 N LEU A 37 4.212 -16.281 3.466 1.00 72.32 N ATOM 583 CA LEU A 37 3.285 -15.942 2.355 1.00 64.53 C ATOM 584 C LEU A 37 2.978 -17.170 1.462 1.00 25.41 C ATOM 585 O LEU A 37 3.626 -18.220 1.573 1.00 5.21 O ATOM 586 CB LEU A 37 3.802 -14.735 1.495 1.00 64.52 C ATOM 587 CG LEU A 37 4.078 -13.374 2.228 1.00 45.30 C ATOM 588 CD1 LEU A 37 4.710 -12.353 1.262 1.00 52.31 C ATOM 589 CD2 LEU A 37 2.809 -12.793 2.898 1.00 53.43 C ATOM 0 H LEU A 37 3.756 -16.237 4.377 1.00 72.32 H new ATOM 0 HA LEU A 37 2.350 -15.630 2.821 1.00 64.53 H new ATOM 0 HB2 LEU A 37 4.726 -15.045 1.006 1.00 64.52 H new ATOM 0 HB3 LEU A 37 3.072 -14.548 0.708 1.00 64.52 H new ATOM 0 HG LEU A 37 4.788 -13.581 3.029 1.00 45.30 H new ATOM 0 HD11 LEU A 37 4.893 -11.417 1.790 1.00 52.31 H new ATOM 0 HD12 LEU A 37 5.653 -12.746 0.883 1.00 52.31 H new ATOM 0 HD13 LEU A 37 4.031 -12.172 0.428 1.00 52.31 H new ATOM 0 HD21 LEU A 37 3.056 -11.852 3.390 1.00 53.43 H new ATOM 0 HD22 LEU A 37 2.046 -12.617 2.140 1.00 53.43 H new ATOM 0 HD23 LEU A 37 2.431 -13.500 3.636 1.00 53.43 H new ATOM 601 N ALA A 38 1.935 -17.052 0.629 1.00 13.44 N ATOM 602 CA ALA A 38 1.677 -17.999 -0.467 1.00 44.51 C ATOM 603 C ALA A 38 2.585 -17.628 -1.654 1.00 5.02 C ATOM 604 O ALA A 38 2.377 -16.582 -2.290 1.00 63.03 O ATOM 605 CB ALA A 38 0.193 -17.966 -0.863 1.00 3.42 C ATOM 0 H ALA A 38 1.248 -16.301 0.694 1.00 13.44 H new ATOM 0 HA ALA A 38 1.903 -19.017 -0.148 1.00 44.51 H new ATOM 0 HB1 ALA A 38 0.017 -18.672 -1.675 1.00 3.42 H new ATOM 0 HB2 ALA A 38 -0.419 -18.241 -0.004 1.00 3.42 H new ATOM 0 HB3 ALA A 38 -0.074 -16.961 -1.191 1.00 3.42 H new ATOM 611 N ASP A 39 3.608 -18.469 -1.907 1.00 73.43 N ATOM 612 CA ASP A 39 4.668 -18.199 -2.899 1.00 64.34 C ATOM 613 C ASP A 39 4.088 -17.920 -4.301 1.00 54.03 C ATOM 614 O ASP A 39 3.167 -18.614 -4.758 1.00 31.03 O ATOM 615 CB ASP A 39 5.677 -19.376 -2.956 1.00 51.52 C ATOM 616 CG ASP A 39 6.855 -19.111 -3.918 1.00 71.34 C ATOM 617 OD1 ASP A 39 7.759 -18.317 -3.560 1.00 0.42 O ATOM 618 OD2 ASP A 39 6.870 -19.662 -5.046 1.00 42.20 O ATOM 0 H ASP A 39 3.722 -19.361 -1.425 1.00 73.43 H new ATOM 0 HA ASP A 39 5.192 -17.300 -2.575 1.00 64.34 H new ATOM 0 HB2 ASP A 39 6.067 -19.563 -1.955 1.00 51.52 H new ATOM 0 HB3 ASP A 39 5.155 -20.280 -3.269 1.00 51.52 H new ATOM 623 N GLY A 40 4.650 -16.900 -4.969 1.00 62.13 N ATOM 624 CA GLY A 40 4.164 -16.443 -6.263 1.00 33.21 C ATOM 625 C GLY A 40 3.224 -15.256 -6.143 1.00 63.41 C ATOM 626 O GLY A 40 3.652 -14.101 -6.286 1.00 11.43 O ATOM 0 H GLY A 40 5.452 -16.375 -4.621 1.00 62.13 H new ATOM 0 HA2 GLY A 40 5.012 -16.169 -6.890 1.00 33.21 H new ATOM 0 HA3 GLY A 40 3.648 -17.262 -6.764 1.00 33.21 H new ATOM 630 N VAL A 41 1.938 -15.547 -5.860 1.00 64.12 N ATOM 631 CA VAL A 41 0.879 -14.529 -5.824 1.00 20.04 C ATOM 632 C VAL A 41 1.085 -13.544 -4.636 1.00 23.54 C ATOM 633 O VAL A 41 1.331 -12.355 -4.865 1.00 71.40 O ATOM 634 CB VAL A 41 -0.577 -15.179 -5.843 1.00 35.34 C ATOM 635 CG1 VAL A 41 -0.854 -15.869 -7.210 1.00 21.42 C ATOM 636 CG2 VAL A 41 -0.805 -16.183 -4.681 1.00 60.32 C ATOM 0 H VAL A 41 1.610 -16.490 -5.652 1.00 64.12 H new ATOM 0 HA VAL A 41 0.955 -13.940 -6.738 1.00 20.04 H new ATOM 0 HB VAL A 41 -1.283 -14.360 -5.701 1.00 35.34 H new ATOM 0 HG11 VAL A 41 -1.853 -16.306 -7.201 1.00 21.42 H new ATOM 0 HG12 VAL A 41 -0.787 -15.132 -8.010 1.00 21.42 H new ATOM 0 HG13 VAL A 41 -0.116 -16.654 -7.378 1.00 21.42 H new ATOM 0 HG21 VAL A 41 -1.813 -16.592 -4.746 1.00 60.32 H new ATOM 0 HG22 VAL A 41 -0.079 -16.993 -4.752 1.00 60.32 H new ATOM 0 HG23 VAL A 41 -0.683 -15.669 -3.727 1.00 60.32 H new ATOM 646 N LEU A 42 1.086 -14.059 -3.385 1.00 41.43 N ATOM 647 CA LEU A 42 1.181 -13.229 -2.147 1.00 70.14 C ATOM 648 C LEU A 42 2.545 -12.510 -2.050 1.00 20.44 C ATOM 649 O LEU A 42 2.655 -11.452 -1.412 1.00 45.21 O ATOM 650 CB LEU A 42 0.909 -14.111 -0.876 1.00 41.24 C ATOM 651 CG LEU A 42 -0.509 -14.000 -0.219 1.00 44.13 C ATOM 652 CD1 LEU A 42 -0.679 -12.651 0.506 1.00 75.42 C ATOM 653 CD2 LEU A 42 -1.650 -14.240 -1.243 1.00 12.43 C ATOM 0 H LEU A 42 1.021 -15.060 -3.198 1.00 41.43 H new ATOM 0 HA LEU A 42 0.415 -12.456 -2.198 1.00 70.14 H new ATOM 0 HB2 LEU A 42 1.076 -15.154 -1.146 1.00 41.24 H new ATOM 0 HB3 LEU A 42 1.652 -13.855 -0.121 1.00 41.24 H new ATOM 0 HG LEU A 42 -0.582 -14.794 0.524 1.00 44.13 H new ATOM 0 HD11 LEU A 42 -1.672 -12.601 0.953 1.00 75.42 H new ATOM 0 HD12 LEU A 42 0.076 -12.560 1.287 1.00 75.42 H new ATOM 0 HD13 LEU A 42 -0.561 -11.836 -0.209 1.00 75.42 H new ATOM 0 HD21 LEU A 42 -2.614 -14.153 -0.741 1.00 12.43 H new ATOM 0 HD22 LEU A 42 -1.587 -13.498 -2.039 1.00 12.43 H new ATOM 0 HD23 LEU A 42 -1.552 -15.238 -1.670 1.00 12.43 H new ATOM 665 N SER A 43 3.565 -13.126 -2.672 1.00 60.40 N ATOM 666 CA SER A 43 4.912 -12.557 -2.834 1.00 11.22 C ATOM 667 C SER A 43 4.847 -11.205 -3.578 1.00 62.10 C ATOM 668 O SER A 43 5.313 -10.173 -3.075 1.00 65.21 O ATOM 669 CB SER A 43 5.779 -13.566 -3.627 1.00 73.54 C ATOM 670 OG SER A 43 5.631 -14.876 -3.109 1.00 74.23 O ATOM 0 H SER A 43 3.473 -14.054 -3.085 1.00 60.40 H new ATOM 0 HA SER A 43 5.353 -12.376 -1.854 1.00 11.22 H new ATOM 0 HB2 SER A 43 5.491 -13.552 -4.678 1.00 73.54 H new ATOM 0 HB3 SER A 43 6.826 -13.268 -3.579 1.00 73.54 H new ATOM 0 HG SER A 43 6.501 -15.327 -3.105 1.00 74.23 H new ATOM 676 N PHE A 44 4.217 -11.251 -4.768 1.00 12.32 N ATOM 677 CA PHE A 44 4.035 -10.098 -5.668 1.00 51.45 C ATOM 678 C PHE A 44 3.108 -9.035 -5.042 1.00 51.03 C ATOM 679 O PHE A 44 3.352 -7.824 -5.177 1.00 55.25 O ATOM 680 CB PHE A 44 3.465 -10.623 -7.015 1.00 41.53 C ATOM 681 CG PHE A 44 3.153 -9.553 -8.067 1.00 51.41 C ATOM 682 CD1 PHE A 44 4.178 -8.829 -8.678 1.00 43.22 C ATOM 683 CD2 PHE A 44 1.836 -9.289 -8.460 1.00 35.43 C ATOM 684 CE1 PHE A 44 3.897 -7.877 -9.640 1.00 13.44 C ATOM 685 CE2 PHE A 44 1.559 -8.335 -9.421 1.00 4.14 C ATOM 686 CZ PHE A 44 2.588 -7.631 -10.011 1.00 62.12 C ATOM 0 H PHE A 44 3.812 -12.111 -5.138 1.00 12.32 H new ATOM 0 HA PHE A 44 4.994 -9.608 -5.838 1.00 51.45 H new ATOM 0 HB2 PHE A 44 4.180 -11.327 -7.441 1.00 41.53 H new ATOM 0 HB3 PHE A 44 2.552 -11.181 -6.809 1.00 41.53 H new ATOM 0 HD1 PHE A 44 5.204 -9.015 -8.396 1.00 43.22 H new ATOM 0 HD2 PHE A 44 1.025 -9.838 -8.006 1.00 35.43 H new ATOM 0 HE1 PHE A 44 4.701 -7.324 -10.103 1.00 13.44 H new ATOM 0 HE2 PHE A 44 0.537 -8.141 -9.710 1.00 4.14 H new ATOM 0 HZ PHE A 44 2.371 -6.887 -10.763 1.00 62.12 H new ATOM 696 N ILE A 45 2.056 -9.513 -4.352 1.00 54.30 N ATOM 697 CA ILE A 45 1.067 -8.661 -3.672 1.00 11.44 C ATOM 698 C ILE A 45 1.750 -7.798 -2.583 1.00 2.11 C ATOM 699 O ILE A 45 1.683 -6.560 -2.627 1.00 33.45 O ATOM 700 CB ILE A 45 -0.096 -9.543 -3.061 1.00 15.42 C ATOM 701 CG1 ILE A 45 -0.887 -10.284 -4.198 1.00 72.31 C ATOM 702 CG2 ILE A 45 -1.053 -8.700 -2.190 1.00 41.43 C ATOM 703 CD1 ILE A 45 -1.898 -11.324 -3.728 1.00 43.43 C ATOM 0 H ILE A 45 1.868 -10.510 -4.251 1.00 54.30 H new ATOM 0 HA ILE A 45 0.626 -7.985 -4.405 1.00 11.44 H new ATOM 0 HB ILE A 45 0.364 -10.291 -2.415 1.00 15.42 H new ATOM 0 HG12 ILE A 45 -1.411 -9.539 -4.796 1.00 72.31 H new ATOM 0 HG13 ILE A 45 -0.169 -10.773 -4.856 1.00 72.31 H new ATOM 0 HG21 ILE A 45 -1.838 -9.340 -1.788 1.00 41.43 H new ATOM 0 HG22 ILE A 45 -0.496 -8.250 -1.368 1.00 41.43 H new ATOM 0 HG23 ILE A 45 -1.501 -7.914 -2.798 1.00 41.43 H new ATOM 0 HD11 ILE A 45 -2.386 -11.774 -4.593 1.00 43.43 H new ATOM 0 HD12 ILE A 45 -1.385 -12.098 -3.158 1.00 43.43 H new ATOM 0 HD13 ILE A 45 -2.647 -10.845 -3.097 1.00 43.43 H new ATOM 715 N HIS A 46 2.456 -8.460 -1.640 1.00 51.33 N ATOM 716 CA HIS A 46 3.138 -7.768 -0.523 1.00 23.12 C ATOM 717 C HIS A 46 4.318 -6.906 -1.034 1.00 54.05 C ATOM 718 O HIS A 46 4.607 -5.818 -0.465 1.00 43.34 O ATOM 719 CB HIS A 46 3.615 -8.789 0.536 1.00 21.41 C ATOM 720 CG HIS A 46 4.304 -8.174 1.733 1.00 51.21 C ATOM 721 ND1 HIS A 46 5.482 -8.660 2.255 1.00 71.54 N ATOM 722 CD2 HIS A 46 3.967 -7.107 2.509 1.00 42.42 C ATOM 723 CE1 HIS A 46 5.839 -7.932 3.291 1.00 63.40 C ATOM 724 NE2 HIS A 46 4.940 -6.983 3.468 1.00 14.34 N ATOM 0 H HIS A 46 2.569 -9.474 -1.630 1.00 51.33 H new ATOM 0 HA HIS A 46 2.420 -7.096 -0.052 1.00 23.12 H new ATOM 0 HB2 HIS A 46 2.755 -9.363 0.882 1.00 21.41 H new ATOM 0 HB3 HIS A 46 4.298 -9.493 0.062 1.00 21.41 H new ATOM 0 HD1 HIS A 46 5.999 -9.462 1.894 1.00 71.54 H new ATOM 0 HD2 HIS A 46 3.098 -6.477 2.392 1.00 42.42 H new ATOM 0 HE1 HIS A 46 6.721 -8.086 3.896 1.00 63.40 H new ATOM 733 N HIS A 47 4.973 -7.396 -2.121 1.00 32.54 N ATOM 734 CA HIS A 47 6.016 -6.643 -2.842 1.00 12.11 C ATOM 735 C HIS A 47 5.472 -5.271 -3.242 1.00 23.31 C ATOM 736 O HIS A 47 6.059 -4.252 -2.901 1.00 41.34 O ATOM 737 CB HIS A 47 6.518 -7.409 -4.120 1.00 41.13 C ATOM 738 CG HIS A 47 7.841 -8.112 -3.979 1.00 14.11 C ATOM 739 ND1 HIS A 47 8.285 -9.056 -4.882 1.00 24.43 N ATOM 740 CD2 HIS A 47 8.848 -7.954 -3.085 1.00 52.03 C ATOM 741 CE1 HIS A 47 9.498 -9.442 -4.550 1.00 73.30 C ATOM 742 NE2 HIS A 47 9.860 -8.789 -3.466 1.00 22.14 N ATOM 0 H HIS A 47 4.789 -8.319 -2.514 1.00 32.54 H new ATOM 0 HA HIS A 47 6.868 -6.528 -2.172 1.00 12.11 H new ATOM 0 HB2 HIS A 47 5.764 -8.145 -4.400 1.00 41.13 H new ATOM 0 HB3 HIS A 47 6.591 -6.698 -4.943 1.00 41.13 H new ATOM 0 HD2 HIS A 47 8.850 -7.292 -2.232 1.00 52.03 H new ATOM 0 HE1 HIS A 47 10.095 -10.171 -5.077 1.00 73.30 H new ATOM 0 HE2 HIS A 47 10.754 -8.890 -2.986 1.00 22.14 H new ATOM 751 N GLN A 48 4.314 -5.266 -3.935 1.00 62.54 N ATOM 752 CA GLN A 48 3.690 -4.021 -4.394 1.00 53.34 C ATOM 753 C GLN A 48 3.120 -3.193 -3.227 1.00 14.11 C ATOM 754 O GLN A 48 3.139 -1.987 -3.308 1.00 2.21 O ATOM 755 CB GLN A 48 2.613 -4.267 -5.487 1.00 12.12 C ATOM 756 CG GLN A 48 3.177 -4.735 -6.858 1.00 22.40 C ATOM 757 CD GLN A 48 2.310 -4.289 -8.046 1.00 13.42 C ATOM 758 OE1 GLN A 48 2.524 -3.224 -8.622 1.00 1.40 O ATOM 759 NE2 GLN A 48 1.298 -5.065 -8.387 1.00 44.31 N ATOM 0 H GLN A 48 3.799 -6.110 -4.185 1.00 62.54 H new ATOM 0 HA GLN A 48 4.486 -3.434 -4.853 1.00 53.34 H new ATOM 0 HB2 GLN A 48 1.910 -5.016 -5.123 1.00 12.12 H new ATOM 0 HB3 GLN A 48 2.049 -3.346 -5.636 1.00 12.12 H new ATOM 0 HG2 GLN A 48 4.186 -4.342 -6.983 1.00 22.40 H new ATOM 0 HG3 GLN A 48 3.256 -5.822 -6.860 1.00 22.40 H new ATOM 0 HE21 GLN A 48 1.141 -5.944 -7.894 1.00 44.31 H new ATOM 0 HE22 GLN A 48 0.673 -4.785 -9.143 1.00 44.31 H new ATOM 768 N ILE A 49 2.655 -3.827 -2.130 1.00 60.14 N ATOM 769 CA ILE A 49 2.190 -3.078 -0.934 1.00 1.12 C ATOM 770 C ILE A 49 3.320 -2.151 -0.413 1.00 41.44 C ATOM 771 O ILE A 49 3.181 -0.911 -0.418 1.00 21.22 O ATOM 772 CB ILE A 49 1.688 -4.057 0.207 1.00 44.13 C ATOM 773 CG1 ILE A 49 0.378 -4.783 -0.238 1.00 14.13 C ATOM 774 CG2 ILE A 49 1.486 -3.340 1.574 1.00 53.10 C ATOM 775 CD1 ILE A 49 -0.154 -5.802 0.756 1.00 14.44 C ATOM 0 H ILE A 49 2.590 -4.841 -2.043 1.00 60.14 H new ATOM 0 HA ILE A 49 1.340 -2.463 -1.228 1.00 1.12 H new ATOM 0 HB ILE A 49 2.474 -4.797 0.360 1.00 44.13 H new ATOM 0 HG12 ILE A 49 -0.393 -4.034 -0.417 1.00 14.13 H new ATOM 0 HG13 ILE A 49 0.562 -5.285 -1.188 1.00 14.13 H new ATOM 0 HG21 ILE A 49 1.142 -4.061 2.316 1.00 53.10 H new ATOM 0 HG22 ILE A 49 2.431 -2.907 1.901 1.00 53.10 H new ATOM 0 HG23 ILE A 49 0.743 -2.550 1.464 1.00 53.10 H new ATOM 0 HD11 ILE A 49 -1.064 -6.254 0.362 1.00 14.44 H new ATOM 0 HD12 ILE A 49 0.595 -6.577 0.919 1.00 14.44 H new ATOM 0 HD13 ILE A 49 -0.375 -5.307 1.702 1.00 14.44 H new ATOM 787 N ILE A 50 4.472 -2.753 -0.071 1.00 21.03 N ATOM 788 CA ILE A 50 5.566 -2.010 0.594 1.00 33.41 C ATOM 789 C ILE A 50 6.381 -1.158 -0.406 1.00 51.22 C ATOM 790 O ILE A 50 6.808 -0.048 -0.066 1.00 61.50 O ATOM 791 CB ILE A 50 6.490 -2.987 1.399 1.00 42.12 C ATOM 792 CG1 ILE A 50 5.637 -3.863 2.372 1.00 54.12 C ATOM 793 CG2 ILE A 50 7.628 -2.253 2.162 1.00 52.45 C ATOM 794 CD1 ILE A 50 4.720 -3.095 3.318 1.00 45.40 C ATOM 0 H ILE A 50 4.672 -3.739 -0.240 1.00 21.03 H new ATOM 0 HA ILE A 50 5.109 -1.315 1.299 1.00 33.41 H new ATOM 0 HB ILE A 50 6.979 -3.635 0.672 1.00 42.12 H new ATOM 0 HG12 ILE A 50 5.028 -4.545 1.779 1.00 54.12 H new ATOM 0 HG13 ILE A 50 6.313 -4.476 2.968 1.00 54.12 H new ATOM 0 HG21 ILE A 50 8.234 -2.982 2.700 1.00 52.45 H new ATOM 0 HG22 ILE A 50 8.254 -1.715 1.451 1.00 52.45 H new ATOM 0 HG23 ILE A 50 7.195 -1.547 2.871 1.00 52.45 H new ATOM 0 HD11 ILE A 50 4.175 -3.799 3.948 1.00 45.40 H new ATOM 0 HD12 ILE A 50 5.317 -2.433 3.946 1.00 45.40 H new ATOM 0 HD13 ILE A 50 4.012 -2.504 2.738 1.00 45.40 H new ATOM 806 N GLU A 51 6.576 -1.657 -1.646 1.00 53.34 N ATOM 807 CA GLU A 51 7.337 -0.914 -2.680 1.00 21.34 C ATOM 808 C GLU A 51 6.527 0.261 -3.263 1.00 4.01 C ATOM 809 O GLU A 51 7.119 1.294 -3.569 1.00 20.31 O ATOM 810 CB GLU A 51 7.846 -1.847 -3.818 1.00 45.32 C ATOM 811 CG GLU A 51 8.949 -2.841 -3.389 1.00 61.41 C ATOM 812 CD GLU A 51 10.244 -2.153 -2.892 1.00 43.24 C ATOM 813 OE1 GLU A 51 11.133 -1.855 -3.726 1.00 2.14 O ATOM 814 OE2 GLU A 51 10.387 -1.917 -1.668 1.00 24.15 O ATOM 0 H GLU A 51 6.222 -2.562 -1.956 1.00 53.34 H new ATOM 0 HA GLU A 51 8.210 -0.500 -2.175 1.00 21.34 H new ATOM 0 HB2 GLU A 51 7.001 -2.411 -4.213 1.00 45.32 H new ATOM 0 HB3 GLU A 51 8.227 -1.231 -4.632 1.00 45.32 H new ATOM 0 HG2 GLU A 51 8.561 -3.482 -2.597 1.00 61.41 H new ATOM 0 HG3 GLU A 51 9.192 -3.488 -4.232 1.00 61.41 H new ATOM 821 N LEU A 52 5.185 0.103 -3.424 1.00 45.42 N ATOM 822 CA LEU A 52 4.308 1.224 -3.863 1.00 14.31 C ATOM 823 C LEU A 52 4.058 2.206 -2.702 1.00 21.44 C ATOM 824 O LEU A 52 3.764 3.376 -2.949 1.00 44.22 O ATOM 825 CB LEU A 52 2.957 0.735 -4.470 1.00 13.43 C ATOM 826 CG LEU A 52 3.035 -0.115 -5.793 1.00 53.33 C ATOM 827 CD1 LEU A 52 1.634 -0.650 -6.203 1.00 72.32 C ATOM 828 CD2 LEU A 52 3.679 0.695 -6.938 1.00 64.40 C ATOM 0 H LEU A 52 4.693 -0.775 -3.259 1.00 45.42 H new ATOM 0 HA LEU A 52 4.840 1.743 -4.660 1.00 14.31 H new ATOM 0 HB2 LEU A 52 2.442 0.141 -3.715 1.00 13.43 H new ATOM 0 HB3 LEU A 52 2.337 1.610 -4.665 1.00 13.43 H new ATOM 0 HG LEU A 52 3.673 -0.977 -5.595 1.00 53.33 H new ATOM 0 HD11 LEU A 52 1.721 -1.233 -7.120 1.00 72.32 H new ATOM 0 HD12 LEU A 52 1.239 -1.282 -5.408 1.00 72.32 H new ATOM 0 HD13 LEU A 52 0.958 0.189 -6.369 1.00 72.32 H new ATOM 0 HD21 LEU A 52 3.720 0.083 -7.839 1.00 64.40 H new ATOM 0 HD22 LEU A 52 3.084 1.587 -7.132 1.00 64.40 H new ATOM 0 HD23 LEU A 52 4.689 0.988 -6.653 1.00 64.40 H new ATOM 840 N ALA A 53 4.171 1.727 -1.435 1.00 31.53 N ATOM 841 CA ALA A 53 4.244 2.628 -0.262 1.00 51.20 C ATOM 842 C ALA A 53 5.500 3.528 -0.370 1.00 2.41 C ATOM 843 O ALA A 53 5.394 4.758 -0.384 1.00 60.34 O ATOM 844 CB ALA A 53 4.247 1.820 1.054 1.00 75.44 C ATOM 0 H ALA A 53 4.213 0.734 -1.205 1.00 31.53 H new ATOM 0 HA ALA A 53 3.360 3.266 -0.251 1.00 51.20 H new ATOM 0 HB1 ALA A 53 4.301 2.504 1.901 1.00 75.44 H new ATOM 0 HB2 ALA A 53 3.332 1.231 1.121 1.00 75.44 H new ATOM 0 HB3 ALA A 53 5.110 1.154 1.070 1.00 75.44 H new ATOM 850 N ARG A 54 6.677 2.886 -0.526 1.00 30.40 N ATOM 851 CA ARG A 54 7.980 3.588 -0.673 1.00 40.31 C ATOM 852 C ARG A 54 8.002 4.483 -1.940 1.00 71.23 C ATOM 853 O ARG A 54 8.607 5.563 -1.937 1.00 51.30 O ATOM 854 CB ARG A 54 9.146 2.551 -0.709 1.00 72.40 C ATOM 855 CG ARG A 54 9.363 1.809 0.630 1.00 72.34 C ATOM 856 CD ARG A 54 10.422 0.689 0.578 1.00 50.01 C ATOM 857 NE ARG A 54 10.460 -0.064 1.854 1.00 2.52 N ATOM 858 CZ ARG A 54 11.329 -1.032 2.176 1.00 20.24 C ATOM 859 NH1 ARG A 54 12.281 -1.402 1.326 1.00 44.44 N ATOM 860 NH2 ARG A 54 11.230 -1.642 3.361 1.00 2.13 N ATOM 0 H ARG A 54 6.756 1.869 -0.554 1.00 30.40 H new ATOM 0 HA ARG A 54 8.114 4.240 0.190 1.00 40.31 H new ATOM 0 HB2 ARG A 54 8.944 1.819 -1.491 1.00 72.40 H new ATOM 0 HB3 ARG A 54 10.068 3.064 -0.983 1.00 72.40 H new ATOM 0 HG2 ARG A 54 9.657 2.534 1.389 1.00 72.34 H new ATOM 0 HG3 ARG A 54 8.414 1.379 0.950 1.00 72.34 H new ATOM 0 HD2 ARG A 54 10.197 0.009 -0.244 1.00 50.01 H new ATOM 0 HD3 ARG A 54 11.403 1.120 0.376 1.00 50.01 H new ATOM 0 HE ARG A 54 9.758 0.177 2.554 1.00 2.52 H new ATOM 0 HH11 ARG A 54 12.357 -0.948 0.416 1.00 44.44 H new ATOM 0 HH12 ARG A 54 12.936 -2.140 1.584 1.00 44.44 H new ATOM 0 HH21 ARG A 54 10.496 -1.370 4.015 1.00 2.13 H new ATOM 0 HH22 ARG A 54 11.889 -2.379 3.612 1.00 2.13 H new ATOM 874 N ASP A 55 7.299 4.026 -2.994 1.00 51.12 N ATOM 875 CA ASP A 55 7.165 4.744 -4.280 1.00 43.42 C ATOM 876 C ASP A 55 6.323 6.018 -4.087 1.00 60.04 C ATOM 877 O ASP A 55 6.703 7.101 -4.547 1.00 21.32 O ATOM 878 CB ASP A 55 6.529 3.785 -5.329 1.00 74.43 C ATOM 879 CG ASP A 55 6.279 4.399 -6.713 1.00 41.33 C ATOM 880 OD1 ASP A 55 7.260 4.766 -7.402 1.00 3.33 O ATOM 881 OD2 ASP A 55 5.103 4.491 -7.131 1.00 24.02 O ATOM 0 H ASP A 55 6.801 3.136 -2.978 1.00 51.12 H new ATOM 0 HA ASP A 55 8.145 5.054 -4.644 1.00 43.42 H new ATOM 0 HB2 ASP A 55 7.180 2.919 -5.446 1.00 74.43 H new ATOM 0 HB3 ASP A 55 5.580 3.420 -4.935 1.00 74.43 H new ATOM 886 N CYS A 56 5.207 5.875 -3.338 1.00 45.33 N ATOM 887 CA CYS A 56 4.318 6.997 -2.977 1.00 14.25 C ATOM 888 C CYS A 56 5.063 8.021 -2.115 1.00 15.31 C ATOM 889 O CYS A 56 4.888 9.227 -2.294 1.00 61.23 O ATOM 890 CB CYS A 56 3.066 6.492 -2.220 1.00 51.33 C ATOM 891 SG CYS A 56 1.909 7.799 -1.743 1.00 61.33 S ATOM 0 H CYS A 56 4.899 4.976 -2.967 1.00 45.33 H new ATOM 0 HA CYS A 56 3.998 7.476 -3.902 1.00 14.25 H new ATOM 0 HB2 CYS A 56 2.543 5.770 -2.847 1.00 51.33 H new ATOM 0 HB3 CYS A 56 3.387 5.962 -1.323 1.00 51.33 H new ATOM 0 HG CYS A 56 0.810 7.676 -2.426 1.00 61.33 H new ATOM 897 N LEU A 57 5.920 7.512 -1.205 1.00 71.52 N ATOM 898 CA LEU A 57 6.726 8.338 -0.294 1.00 71.53 C ATOM 899 C LEU A 57 7.716 9.207 -1.098 1.00 34.10 C ATOM 900 O LEU A 57 7.827 10.421 -0.875 1.00 1.12 O ATOM 901 CB LEU A 57 7.507 7.428 0.692 1.00 61.21 C ATOM 902 CG LEU A 57 8.194 8.158 1.887 1.00 13.54 C ATOM 903 CD1 LEU A 57 7.142 8.712 2.859 1.00 73.44 C ATOM 904 CD2 LEU A 57 9.191 7.237 2.619 1.00 64.25 C ATOM 0 H LEU A 57 6.070 6.510 -1.084 1.00 71.52 H new ATOM 0 HA LEU A 57 6.060 8.991 0.270 1.00 71.53 H new ATOM 0 HB2 LEU A 57 6.819 6.683 1.092 1.00 61.21 H new ATOM 0 HB3 LEU A 57 8.271 6.888 0.132 1.00 61.21 H new ATOM 0 HG LEU A 57 8.763 8.995 1.481 1.00 13.54 H new ATOM 0 HD11 LEU A 57 7.641 9.218 3.686 1.00 73.44 H new ATOM 0 HD12 LEU A 57 6.500 9.420 2.335 1.00 73.44 H new ATOM 0 HD13 LEU A 57 6.538 7.892 3.247 1.00 73.44 H new ATOM 0 HD21 LEU A 57 9.649 7.781 3.445 1.00 64.25 H new ATOM 0 HD22 LEU A 57 8.664 6.365 3.007 1.00 64.25 H new ATOM 0 HD23 LEU A 57 9.965 6.913 1.924 1.00 64.25 H new ATOM 916 N THR A 58 8.413 8.544 -2.045 1.00 32.22 N ATOM 917 CA THR A 58 9.390 9.188 -2.945 1.00 52.31 C ATOM 918 C THR A 58 8.717 10.274 -3.819 1.00 14.10 C ATOM 919 O THR A 58 9.264 11.376 -3.978 1.00 64.15 O ATOM 920 CB THR A 58 10.108 8.121 -3.848 1.00 45.33 C ATOM 921 OG1 THR A 58 10.673 7.092 -3.015 1.00 74.10 O ATOM 922 CG2 THR A 58 11.235 8.723 -4.712 1.00 4.41 C ATOM 0 H THR A 58 8.312 7.542 -2.207 1.00 32.22 H new ATOM 0 HA THR A 58 10.142 9.674 -2.323 1.00 52.31 H new ATOM 0 HB THR A 58 9.351 7.719 -4.522 1.00 45.33 H new ATOM 0 HG1 THR A 58 9.953 6.540 -2.643 1.00 74.10 H new ATOM 0 HG21 THR A 58 11.692 7.937 -5.313 1.00 4.41 H new ATOM 0 HG22 THR A 58 10.821 9.488 -5.369 1.00 4.41 H new ATOM 0 HG23 THR A 58 11.990 9.171 -4.065 1.00 4.41 H new ATOM 930 N LYS A 59 7.512 9.968 -4.358 1.00 61.40 N ATOM 931 CA LYS A 59 6.762 10.928 -5.189 1.00 72.02 C ATOM 932 C LYS A 59 6.181 12.081 -4.348 1.00 5.04 C ATOM 933 O LYS A 59 6.040 13.197 -4.852 1.00 25.15 O ATOM 934 CB LYS A 59 5.607 10.257 -5.965 1.00 75.13 C ATOM 935 CG LYS A 59 5.996 9.109 -6.915 1.00 61.42 C ATOM 936 CD LYS A 59 4.874 8.810 -7.946 1.00 2.32 C ATOM 937 CE LYS A 59 4.989 7.421 -8.575 1.00 74.21 C ATOM 938 NZ LYS A 59 6.339 7.123 -9.108 1.00 35.04 N ATOM 0 H LYS A 59 7.045 9.070 -4.231 1.00 61.40 H new ATOM 0 HA LYS A 59 7.485 11.324 -5.902 1.00 72.02 H new ATOM 0 HB2 LYS A 59 4.887 9.873 -5.242 1.00 75.13 H new ATOM 0 HB3 LYS A 59 5.096 11.024 -6.547 1.00 75.13 H new ATOM 0 HG2 LYS A 59 6.914 9.368 -7.442 1.00 61.42 H new ATOM 0 HG3 LYS A 59 6.205 8.211 -6.334 1.00 61.42 H new ATOM 0 HD2 LYS A 59 3.905 8.901 -7.455 1.00 2.32 H new ATOM 0 HD3 LYS A 59 4.904 9.562 -8.734 1.00 2.32 H new ATOM 0 HE2 LYS A 59 4.728 6.670 -7.829 1.00 74.21 H new ATOM 0 HE3 LYS A 59 4.261 7.335 -9.382 1.00 74.21 H new ATOM 0 HZ1 LYS A 59 6.256 6.753 -10.076 1.00 35.04 H new ATOM 0 HZ2 LYS A 59 6.908 7.993 -9.117 1.00 35.04 H new ATOM 0 HZ3 LYS A 59 6.802 6.413 -8.505 1.00 35.04 H new ATOM 952 N SER A 60 5.820 11.793 -3.080 1.00 62.45 N ATOM 953 CA SER A 60 5.205 12.786 -2.173 1.00 74.03 C ATOM 954 C SER A 60 6.248 13.806 -1.675 1.00 34.10 C ATOM 955 O SER A 60 5.888 14.907 -1.249 1.00 0.22 O ATOM 956 CB SER A 60 4.528 12.077 -0.973 1.00 51.03 C ATOM 957 OG SER A 60 3.820 12.995 -0.147 1.00 25.41 O ATOM 0 H SER A 60 5.945 10.873 -2.658 1.00 62.45 H new ATOM 0 HA SER A 60 4.444 13.328 -2.735 1.00 74.03 H new ATOM 0 HB2 SER A 60 3.841 11.315 -1.341 1.00 51.03 H new ATOM 0 HB3 SER A 60 5.285 11.564 -0.380 1.00 51.03 H new ATOM 0 HG SER A 60 3.160 12.509 0.391 1.00 25.41 H new ATOM 963 N ARG A 61 7.540 13.423 -1.730 1.00 22.33 N ATOM 964 CA ARG A 61 8.657 14.310 -1.357 1.00 3.10 C ATOM 965 C ARG A 61 8.732 15.513 -2.323 1.00 30.33 C ATOM 966 O ARG A 61 8.827 16.665 -1.886 1.00 30.13 O ATOM 967 CB ARG A 61 9.992 13.529 -1.359 1.00 10.55 C ATOM 968 CG ARG A 61 11.214 14.360 -0.899 1.00 5.22 C ATOM 969 CD ARG A 61 12.537 13.597 -1.033 1.00 23.32 C ATOM 970 NE ARG A 61 13.707 14.450 -0.744 1.00 51.22 N ATOM 971 CZ ARG A 61 14.990 14.090 -0.921 1.00 71.03 C ATOM 972 NH1 ARG A 61 15.303 12.881 -1.395 1.00 23.32 N ATOM 973 NH2 ARG A 61 15.953 14.953 -0.624 1.00 31.42 N ATOM 0 H ARG A 61 7.836 12.495 -2.033 1.00 22.33 H new ATOM 0 HA ARG A 61 8.480 14.686 -0.349 1.00 3.10 H new ATOM 0 HB2 ARG A 61 9.892 12.660 -0.709 1.00 10.55 H new ATOM 0 HB3 ARG A 61 10.179 13.155 -2.365 1.00 10.55 H new ATOM 0 HG2 ARG A 61 11.267 15.276 -1.488 1.00 5.22 H new ATOM 0 HG3 ARG A 61 11.075 14.657 0.141 1.00 5.22 H new ATOM 0 HD2 ARG A 61 12.534 12.746 -0.352 1.00 23.32 H new ATOM 0 HD3 ARG A 61 12.622 13.197 -2.043 1.00 23.32 H new ATOM 0 HE ARG A 61 13.528 15.386 -0.381 1.00 51.22 H new ATOM 0 HH11 ARG A 61 14.564 12.217 -1.628 1.00 23.32 H new ATOM 0 HH12 ARG A 61 16.281 12.621 -1.524 1.00 23.32 H new ATOM 0 HH21 ARG A 61 15.716 15.878 -0.266 1.00 31.42 H new ATOM 0 HH22 ARG A 61 16.930 14.691 -0.754 1.00 31.42 H new ATOM 987 N ASP A 62 8.679 15.221 -3.634 1.00 21.11 N ATOM 988 CA ASP A 62 8.612 16.264 -4.676 1.00 53.22 C ATOM 989 C ASP A 62 7.175 16.782 -4.843 1.00 51.00 C ATOM 990 O ASP A 62 6.968 17.936 -5.232 1.00 33.14 O ATOM 991 CB ASP A 62 9.156 15.741 -6.030 1.00 50.22 C ATOM 992 CG ASP A 62 10.687 15.601 -6.036 1.00 51.15 C ATOM 993 OD1 ASP A 62 11.381 16.642 -6.088 1.00 24.30 O ATOM 994 OD2 ASP A 62 11.204 14.466 -5.977 1.00 42.23 O ATOM 0 H ASP A 62 8.681 14.269 -3.999 1.00 21.11 H new ATOM 0 HA ASP A 62 9.243 17.092 -4.353 1.00 53.22 H new ATOM 0 HB2 ASP A 62 8.705 14.773 -6.249 1.00 50.22 H new ATOM 0 HB3 ASP A 62 8.854 16.421 -6.826 1.00 50.22 H new ATOM 999 N GLY A 63 6.195 15.914 -4.535 1.00 50.42 N ATOM 1000 CA GLY A 63 4.772 16.217 -4.722 1.00 62.54 C ATOM 1001 C GLY A 63 4.366 16.276 -6.196 1.00 5.31 C ATOM 1002 O GLY A 63 3.375 16.935 -6.546 1.00 15.25 O ATOM 0 H GLY A 63 6.371 14.986 -4.151 1.00 50.42 H new ATOM 0 HA2 GLY A 63 4.174 15.459 -4.216 1.00 62.54 H new ATOM 0 HA3 GLY A 63 4.543 17.172 -4.249 1.00 62.54 H new ATOM 1006 N LEU A 64 5.128 15.557 -7.060 1.00 45.11 N ATOM 1007 CA LEU A 64 4.915 15.545 -8.541 1.00 13.34 C ATOM 1008 C LEU A 64 3.875 14.473 -8.966 1.00 63.12 C ATOM 1009 O LEU A 64 3.689 14.210 -10.168 1.00 73.31 O ATOM 1010 CB LEU A 64 6.271 15.357 -9.313 1.00 13.32 C ATOM 1011 CG LEU A 64 6.871 13.903 -9.433 1.00 0.33 C ATOM 1012 CD1 LEU A 64 8.134 13.895 -10.332 1.00 42.03 C ATOM 1013 CD2 LEU A 64 7.167 13.270 -8.054 1.00 41.21 C ATOM 0 H LEU A 64 5.905 14.970 -6.757 1.00 45.11 H new ATOM 0 HA LEU A 64 4.508 16.519 -8.814 1.00 13.34 H new ATOM 0 HB2 LEU A 64 6.134 15.744 -10.323 1.00 13.32 H new ATOM 0 HB3 LEU A 64 7.018 15.986 -8.829 1.00 13.32 H new ATOM 0 HG LEU A 64 6.108 13.285 -9.906 1.00 0.33 H new ATOM 0 HD11 LEU A 64 8.527 12.881 -10.398 1.00 42.03 H new ATOM 0 HD12 LEU A 64 7.873 14.248 -11.330 1.00 42.03 H new ATOM 0 HD13 LEU A 64 8.891 14.551 -9.902 1.00 42.03 H new ATOM 0 HD21 LEU A 64 7.578 12.270 -8.193 1.00 41.21 H new ATOM 0 HD22 LEU A 64 7.888 13.887 -7.517 1.00 41.21 H new ATOM 0 HD23 LEU A 64 6.244 13.206 -7.478 1.00 41.21 H new ATOM 1025 N ILE A 65 3.205 13.888 -7.948 1.00 73.21 N ATOM 1026 CA ILE A 65 2.132 12.898 -8.094 1.00 42.02 C ATOM 1027 C ILE A 65 1.054 13.399 -9.087 1.00 34.22 C ATOM 1028 O ILE A 65 0.408 14.426 -8.841 1.00 30.45 O ATOM 1029 CB ILE A 65 1.469 12.591 -6.676 1.00 12.12 C ATOM 1030 CG1 ILE A 65 2.489 11.869 -5.734 1.00 14.12 C ATOM 1031 CG2 ILE A 65 0.157 11.758 -6.806 1.00 22.43 C ATOM 1032 CD1 ILE A 65 2.018 11.645 -4.312 1.00 0.10 C ATOM 0 H ILE A 65 3.409 14.104 -6.972 1.00 73.21 H new ATOM 0 HA ILE A 65 2.565 11.980 -8.490 1.00 42.02 H new ATOM 0 HB ILE A 65 1.199 13.550 -6.234 1.00 12.12 H new ATOM 0 HG12 ILE A 65 2.740 10.903 -6.172 1.00 14.12 H new ATOM 0 HG13 ILE A 65 3.408 12.454 -5.706 1.00 14.12 H new ATOM 0 HG21 ILE A 65 -0.257 11.574 -5.815 1.00 22.43 H new ATOM 0 HG22 ILE A 65 -0.567 12.310 -7.405 1.00 22.43 H new ATOM 0 HG23 ILE A 65 0.377 10.806 -7.289 1.00 22.43 H new ATOM 0 HD11 ILE A 65 2.799 11.138 -3.745 1.00 0.10 H new ATOM 0 HD12 ILE A 65 1.797 12.605 -3.846 1.00 0.10 H new ATOM 0 HD13 ILE A 65 1.118 11.030 -4.319 1.00 0.10 H new ATOM 1044 N THR A 66 0.915 12.701 -10.227 1.00 44.21 N ATOM 1045 CA THR A 66 -0.205 12.892 -11.155 1.00 22.33 C ATOM 1046 C THR A 66 -1.497 12.419 -10.450 1.00 14.10 C ATOM 1047 O THR A 66 -1.450 11.431 -9.720 1.00 14.12 O ATOM 1048 CB THR A 66 0.046 12.071 -12.462 1.00 52.32 C ATOM 1049 OG1 THR A 66 1.339 12.395 -13.018 1.00 72.32 O ATOM 1050 CG2 THR A 66 -1.035 12.322 -13.527 1.00 10.12 C ATOM 0 H THR A 66 1.579 11.988 -10.528 1.00 44.21 H new ATOM 0 HA THR A 66 -0.301 13.942 -11.431 1.00 22.33 H new ATOM 0 HB THR A 66 0.009 11.018 -12.183 1.00 52.32 H new ATOM 0 HG1 THR A 66 1.484 11.873 -13.835 1.00 72.32 H new ATOM 0 HG21 THR A 66 -0.816 11.729 -14.415 1.00 10.12 H new ATOM 0 HG22 THR A 66 -2.009 12.035 -13.131 1.00 10.12 H new ATOM 0 HG23 THR A 66 -1.047 13.380 -13.791 1.00 10.12 H new ATOM 1058 N THR A 67 -2.620 13.123 -10.677 1.00 42.32 N ATOM 1059 CA THR A 67 -3.871 12.951 -9.910 1.00 23.10 C ATOM 1060 C THR A 67 -4.340 11.473 -9.842 1.00 74.45 C ATOM 1061 O THR A 67 -4.650 10.965 -8.757 1.00 32.11 O ATOM 1062 CB THR A 67 -5.000 13.849 -10.527 1.00 22.34 C ATOM 1063 OG1 THR A 67 -4.525 15.206 -10.688 1.00 20.14 O ATOM 1064 CG2 THR A 67 -6.277 13.842 -9.658 1.00 45.52 C ATOM 0 H THR A 67 -2.687 13.835 -11.405 1.00 42.32 H new ATOM 0 HA THR A 67 -3.665 13.262 -8.886 1.00 23.10 H new ATOM 0 HB THR A 67 -5.255 13.432 -11.501 1.00 22.34 H new ATOM 0 HG1 THR A 67 -5.236 15.758 -11.075 1.00 20.14 H new ATOM 0 HG21 THR A 67 -7.035 14.476 -10.119 1.00 45.52 H new ATOM 0 HG22 THR A 67 -6.656 12.823 -9.577 1.00 45.52 H new ATOM 0 HG23 THR A 67 -6.043 14.222 -8.664 1.00 45.52 H new ATOM 1072 N VAL A 68 -4.301 10.783 -11.001 1.00 12.43 N ATOM 1073 CA VAL A 68 -4.819 9.401 -11.147 1.00 22.14 C ATOM 1074 C VAL A 68 -4.017 8.377 -10.296 1.00 42.43 C ATOM 1075 O VAL A 68 -4.540 7.306 -9.990 1.00 5.12 O ATOM 1076 CB VAL A 68 -4.864 8.961 -12.666 1.00 61.22 C ATOM 1077 CG1 VAL A 68 -5.427 7.519 -12.860 1.00 45.51 C ATOM 1078 CG2 VAL A 68 -5.676 9.981 -13.499 1.00 0.05 C ATOM 0 H VAL A 68 -3.911 11.165 -11.862 1.00 12.43 H new ATOM 0 HA VAL A 68 -5.839 9.407 -10.764 1.00 22.14 H new ATOM 0 HB VAL A 68 -3.834 8.945 -13.023 1.00 61.22 H new ATOM 0 HG11 VAL A 68 -5.435 7.271 -13.921 1.00 45.51 H new ATOM 0 HG12 VAL A 68 -4.797 6.808 -12.326 1.00 45.51 H new ATOM 0 HG13 VAL A 68 -6.443 7.469 -12.469 1.00 45.51 H new ATOM 0 HG21 VAL A 68 -5.698 9.664 -14.542 1.00 0.05 H new ATOM 0 HG22 VAL A 68 -6.695 10.035 -13.115 1.00 0.05 H new ATOM 0 HG23 VAL A 68 -5.209 10.963 -13.428 1.00 0.05 H new ATOM 1088 N TYR A 69 -2.774 8.742 -9.882 1.00 42.21 N ATOM 1089 CA TYR A 69 -1.860 7.843 -9.133 1.00 62.01 C ATOM 1090 C TYR A 69 -2.544 7.120 -7.949 1.00 62.11 C ATOM 1091 O TYR A 69 -2.534 5.899 -7.916 1.00 44.42 O ATOM 1092 CB TYR A 69 -0.611 8.615 -8.627 1.00 23.01 C ATOM 1093 CG TYR A 69 0.330 7.787 -7.736 1.00 24.55 C ATOM 1094 CD1 TYR A 69 1.060 6.728 -8.268 1.00 42.53 C ATOM 1095 CD2 TYR A 69 0.459 8.041 -6.362 1.00 62.54 C ATOM 1096 CE1 TYR A 69 1.883 5.957 -7.475 1.00 53.44 C ATOM 1097 CE2 TYR A 69 1.289 7.274 -5.570 1.00 33.14 C ATOM 1098 CZ TYR A 69 1.992 6.230 -6.130 1.00 74.10 C ATOM 1099 OH TYR A 69 2.798 5.445 -5.339 1.00 4.31 O ATOM 0 H TYR A 69 -2.380 9.666 -10.059 1.00 42.21 H new ATOM 0 HA TYR A 69 -1.553 7.075 -9.843 1.00 62.01 H new ATOM 0 HB2 TYR A 69 -0.050 8.978 -9.488 1.00 23.01 H new ATOM 0 HB3 TYR A 69 -0.942 9.491 -8.069 1.00 23.01 H new ATOM 0 HD1 TYR A 69 0.980 6.506 -9.322 1.00 42.53 H new ATOM 0 HD2 TYR A 69 -0.101 8.850 -5.917 1.00 62.54 H new ATOM 0 HE1 TYR A 69 2.441 5.140 -7.908 1.00 53.44 H new ATOM 0 HE2 TYR A 69 1.387 7.491 -4.517 1.00 33.14 H new ATOM 0 HH TYR A 69 3.553 5.113 -5.869 1.00 4.31 H new ATOM 1109 N PHE A 70 -3.137 7.883 -6.999 1.00 70.43 N ATOM 1110 CA PHE A 70 -3.764 7.303 -5.775 1.00 1.31 C ATOM 1111 C PHE A 70 -4.939 6.371 -6.116 1.00 25.44 C ATOM 1112 O PHE A 70 -5.124 5.332 -5.461 1.00 44.25 O ATOM 1113 CB PHE A 70 -4.239 8.412 -4.800 1.00 61.52 C ATOM 1114 CG PHE A 70 -3.096 9.111 -4.057 1.00 32.23 C ATOM 1115 CD1 PHE A 70 -2.388 8.436 -3.051 1.00 53.33 C ATOM 1116 CD2 PHE A 70 -2.729 10.424 -4.346 1.00 35.25 C ATOM 1117 CE1 PHE A 70 -1.358 9.057 -2.364 1.00 23.42 C ATOM 1118 CE2 PHE A 70 -1.699 11.041 -3.653 1.00 73.55 C ATOM 1119 CZ PHE A 70 -1.017 10.358 -2.663 1.00 2.24 C ATOM 0 H PHE A 70 -3.197 8.900 -7.052 1.00 70.43 H new ATOM 0 HA PHE A 70 -2.991 6.712 -5.284 1.00 1.31 H new ATOM 0 HB2 PHE A 70 -4.806 9.156 -5.359 1.00 61.52 H new ATOM 0 HB3 PHE A 70 -4.921 7.974 -4.071 1.00 61.52 H new ATOM 0 HD1 PHE A 70 -2.650 7.417 -2.809 1.00 53.33 H new ATOM 0 HD2 PHE A 70 -3.253 10.967 -5.119 1.00 35.25 H new ATOM 0 HE1 PHE A 70 -0.822 8.522 -1.594 1.00 23.42 H new ATOM 0 HE2 PHE A 70 -1.428 12.060 -3.887 1.00 73.55 H new ATOM 0 HZ PHE A 70 -0.217 10.844 -2.124 1.00 2.24 H new ATOM 1129 N TYR A 71 -5.707 6.750 -7.155 1.00 31.03 N ATOM 1130 CA TYR A 71 -6.842 5.946 -7.661 1.00 34.44 C ATOM 1131 C TYR A 71 -6.320 4.594 -8.160 1.00 44.31 C ATOM 1132 O TYR A 71 -6.767 3.548 -7.721 1.00 61.22 O ATOM 1133 CB TYR A 71 -7.582 6.651 -8.838 1.00 62.34 C ATOM 1134 CG TYR A 71 -8.127 8.062 -8.549 1.00 42.21 C ATOM 1135 CD1 TYR A 71 -7.263 9.150 -8.423 1.00 3.22 C ATOM 1136 CD2 TYR A 71 -9.501 8.317 -8.435 1.00 51.13 C ATOM 1137 CE1 TYR A 71 -7.733 10.423 -8.191 1.00 71.13 C ATOM 1138 CE2 TYR A 71 -9.971 9.601 -8.209 1.00 61.33 C ATOM 1139 CZ TYR A 71 -9.081 10.647 -8.089 1.00 11.53 C ATOM 1140 OH TYR A 71 -9.544 11.925 -7.878 1.00 21.12 O ATOM 0 H TYR A 71 -5.561 7.619 -7.668 1.00 31.03 H new ATOM 0 HA TYR A 71 -7.546 5.820 -6.839 1.00 34.44 H new ATOM 0 HB2 TYR A 71 -6.898 6.714 -9.684 1.00 62.34 H new ATOM 0 HB3 TYR A 71 -8.414 6.019 -9.148 1.00 62.34 H new ATOM 0 HD1 TYR A 71 -6.199 8.990 -8.510 1.00 3.22 H new ATOM 0 HD2 TYR A 71 -10.203 7.501 -8.525 1.00 51.13 H new ATOM 0 HE1 TYR A 71 -7.040 11.245 -8.089 1.00 71.13 H new ATOM 0 HE2 TYR A 71 -11.033 9.782 -8.127 1.00 61.33 H new ATOM 0 HH TYR A 71 -10.523 11.915 -7.830 1.00 21.12 H new ATOM 1150 N GLU A 72 -5.303 4.680 -9.030 1.00 4.22 N ATOM 1151 CA GLU A 72 -4.698 3.543 -9.741 1.00 3.11 C ATOM 1152 C GLU A 72 -3.864 2.667 -8.784 1.00 51.31 C ATOM 1153 O GLU A 72 -3.711 1.454 -8.992 1.00 31.22 O ATOM 1154 CB GLU A 72 -3.834 4.120 -10.891 1.00 33.34 C ATOM 1155 CG GLU A 72 -3.102 3.094 -11.771 1.00 4.11 C ATOM 1156 CD GLU A 72 -2.293 3.762 -12.898 1.00 73.20 C ATOM 1157 OE1 GLU A 72 -1.296 4.453 -12.590 1.00 70.32 O ATOM 1158 OE2 GLU A 72 -2.643 3.614 -14.090 1.00 0.24 O ATOM 0 H GLU A 72 -4.865 5.570 -9.266 1.00 4.22 H new ATOM 0 HA GLU A 72 -5.472 2.893 -10.149 1.00 3.11 H new ATOM 0 HB2 GLU A 72 -4.476 4.725 -11.532 1.00 33.34 H new ATOM 0 HB3 GLU A 72 -3.092 4.791 -10.458 1.00 33.34 H new ATOM 0 HG2 GLU A 72 -2.433 2.498 -11.150 1.00 4.11 H new ATOM 0 HG3 GLU A 72 -3.829 2.408 -12.206 1.00 4.11 H new ATOM 1165 N LEU A 73 -3.366 3.303 -7.709 1.00 30.14 N ATOM 1166 CA LEU A 73 -2.555 2.647 -6.670 1.00 72.45 C ATOM 1167 C LEU A 73 -3.489 1.767 -5.846 1.00 71.41 C ATOM 1168 O LEU A 73 -3.223 0.587 -5.628 1.00 64.11 O ATOM 1169 CB LEU A 73 -1.839 3.722 -5.769 1.00 35.22 C ATOM 1170 CG LEU A 73 -0.461 3.327 -5.141 1.00 65.14 C ATOM 1171 CD1 LEU A 73 -0.584 2.279 -4.000 1.00 61.50 C ATOM 1172 CD2 LEU A 73 0.511 2.861 -6.250 1.00 15.10 C ATOM 0 H LEU A 73 -3.517 4.297 -7.536 1.00 30.14 H new ATOM 0 HA LEU A 73 -1.771 2.037 -7.120 1.00 72.45 H new ATOM 0 HB2 LEU A 73 -1.692 4.621 -6.368 1.00 35.22 H new ATOM 0 HB3 LEU A 73 -2.516 3.987 -4.957 1.00 35.22 H new ATOM 0 HG LEU A 73 -0.052 4.219 -4.667 1.00 65.14 H new ATOM 0 HD11 LEU A 73 0.407 2.049 -3.609 1.00 61.50 H new ATOM 0 HD12 LEU A 73 -1.205 2.683 -3.201 1.00 61.50 H new ATOM 0 HD13 LEU A 73 -1.040 1.369 -4.390 1.00 61.50 H new ATOM 0 HD21 LEU A 73 1.468 2.588 -5.804 1.00 15.10 H new ATOM 0 HD22 LEU A 73 0.090 1.996 -6.763 1.00 15.10 H new ATOM 0 HD23 LEU A 73 0.662 3.670 -6.965 1.00 15.10 H new ATOM 1184 N GLN A 74 -4.612 2.376 -5.443 1.00 31.54 N ATOM 1185 CA GLN A 74 -5.698 1.705 -4.726 1.00 34.44 C ATOM 1186 C GLN A 74 -6.345 0.603 -5.591 1.00 12.23 C ATOM 1187 O GLN A 74 -6.692 -0.469 -5.080 1.00 22.51 O ATOM 1188 CB GLN A 74 -6.732 2.774 -4.310 1.00 64.13 C ATOM 1189 CG GLN A 74 -8.047 2.236 -3.737 1.00 24.41 C ATOM 1190 CD GLN A 74 -9.052 3.332 -3.404 1.00 0.22 C ATOM 1191 OE1 GLN A 74 -9.061 4.406 -4.015 1.00 21.52 O ATOM 1192 NE2 GLN A 74 -9.922 3.065 -2.450 1.00 64.53 N ATOM 0 H GLN A 74 -4.792 3.366 -5.610 1.00 31.54 H new ATOM 0 HA GLN A 74 -5.304 1.209 -3.839 1.00 34.44 H new ATOM 0 HB2 GLN A 74 -6.274 3.428 -3.568 1.00 64.13 H new ATOM 0 HB3 GLN A 74 -6.961 3.390 -5.180 1.00 64.13 H new ATOM 0 HG2 GLN A 74 -8.494 1.549 -4.455 1.00 24.41 H new ATOM 0 HG3 GLN A 74 -7.834 1.661 -2.836 1.00 24.41 H new ATOM 0 HE21 GLN A 74 -9.888 2.168 -1.965 1.00 64.53 H new ATOM 0 HE22 GLN A 74 -10.629 3.755 -2.197 1.00 64.53 H new ATOM 1201 N GLU A 75 -6.468 0.873 -6.913 1.00 14.45 N ATOM 1202 CA GLU A 75 -6.997 -0.102 -7.884 1.00 32.54 C ATOM 1203 C GLU A 75 -6.084 -1.336 -7.923 1.00 53.44 C ATOM 1204 O GLU A 75 -6.571 -2.465 -7.891 1.00 32.32 O ATOM 1205 CB GLU A 75 -7.149 0.518 -9.309 1.00 22.33 C ATOM 1206 CG GLU A 75 -8.323 1.514 -9.469 1.00 45.20 C ATOM 1207 CD GLU A 75 -8.471 2.058 -10.907 1.00 35.45 C ATOM 1208 OE1 GLU A 75 -7.662 2.919 -11.318 1.00 10.41 O ATOM 1209 OE2 GLU A 75 -9.396 1.624 -11.635 1.00 31.14 O ATOM 0 H GLU A 75 -6.204 1.766 -7.329 1.00 14.45 H new ATOM 0 HA GLU A 75 -7.994 -0.399 -7.559 1.00 32.54 H new ATOM 0 HB2 GLU A 75 -6.221 1.029 -9.567 1.00 22.33 H new ATOM 0 HB3 GLU A 75 -7.278 -0.291 -10.028 1.00 22.33 H new ATOM 0 HG2 GLU A 75 -9.251 1.022 -9.177 1.00 45.20 H new ATOM 0 HG3 GLU A 75 -8.177 2.350 -8.785 1.00 45.20 H new ATOM 1216 N ASN A 76 -4.751 -1.090 -7.933 1.00 22.43 N ATOM 1217 CA ASN A 76 -3.736 -2.151 -7.924 1.00 42.24 C ATOM 1218 C ASN A 76 -3.784 -2.958 -6.606 1.00 25.34 C ATOM 1219 O ASN A 76 -3.789 -4.189 -6.642 1.00 73.43 O ATOM 1220 CB ASN A 76 -2.333 -1.529 -8.147 1.00 2.44 C ATOM 1221 CG ASN A 76 -1.210 -2.564 -8.133 1.00 23.23 C ATOM 1222 OD1 ASN A 76 -0.851 -3.126 -9.167 1.00 21.21 O ATOM 1223 ND2 ASN A 76 -0.664 -2.834 -6.959 1.00 20.13 N ATOM 0 H ASN A 76 -4.358 -0.149 -7.948 1.00 22.43 H new ATOM 0 HA ASN A 76 -3.947 -2.847 -8.736 1.00 42.24 H new ATOM 0 HB2 ASN A 76 -2.323 -1.003 -9.102 1.00 2.44 H new ATOM 0 HB3 ASN A 76 -2.144 -0.786 -7.372 1.00 2.44 H new ATOM 0 HD21 ASN A 76 0.080 -3.528 -6.890 1.00 20.13 H new ATOM 0 HD22 ASN A 76 -0.987 -2.348 -6.122 1.00 20.13 H new ATOM 1230 N LEU A 77 -3.866 -2.242 -5.457 1.00 3.10 N ATOM 1231 CA LEU A 77 -3.855 -2.862 -4.110 1.00 14.13 C ATOM 1232 C LEU A 77 -5.058 -3.804 -3.920 1.00 51.35 C ATOM 1233 O LEU A 77 -4.905 -4.941 -3.462 1.00 11.33 O ATOM 1234 CB LEU A 77 -3.882 -1.777 -2.984 1.00 43.42 C ATOM 1235 CG LEU A 77 -2.640 -0.840 -2.844 1.00 23.11 C ATOM 1236 CD1 LEU A 77 -2.846 0.179 -1.687 1.00 1.32 C ATOM 1237 CD2 LEU A 77 -1.335 -1.662 -2.669 1.00 72.02 C ATOM 0 H LEU A 77 -3.941 -1.225 -5.438 1.00 3.10 H new ATOM 0 HA LEU A 77 -2.931 -3.435 -4.036 1.00 14.13 H new ATOM 0 HB2 LEU A 77 -4.758 -1.149 -3.145 1.00 43.42 H new ATOM 0 HB3 LEU A 77 -4.026 -2.287 -2.031 1.00 43.42 H new ATOM 0 HG LEU A 77 -2.536 -0.269 -3.767 1.00 23.11 H new ATOM 0 HD11 LEU A 77 -1.969 0.821 -1.607 1.00 1.32 H new ATOM 0 HD12 LEU A 77 -3.725 0.789 -1.892 1.00 1.32 H new ATOM 0 HD13 LEU A 77 -2.988 -0.359 -0.750 1.00 1.32 H new ATOM 0 HD21 LEU A 77 -0.487 -0.983 -2.574 1.00 72.02 H new ATOM 0 HD22 LEU A 77 -1.410 -2.277 -1.772 1.00 72.02 H new ATOM 0 HD23 LEU A 77 -1.190 -2.304 -3.538 1.00 72.02 H new ATOM 1249 N GLU A 78 -6.254 -3.307 -4.295 1.00 51.24 N ATOM 1250 CA GLU A 78 -7.531 -4.016 -4.085 1.00 72.53 C ATOM 1251 C GLU A 78 -7.744 -5.107 -5.158 1.00 71.23 C ATOM 1252 O GLU A 78 -8.400 -6.115 -4.891 1.00 73.42 O ATOM 1253 CB GLU A 78 -8.703 -2.995 -3.999 1.00 51.54 C ATOM 1254 CG GLU A 78 -8.549 -2.003 -2.807 1.00 42.13 C ATOM 1255 CD GLU A 78 -9.680 -0.955 -2.656 1.00 30.04 C ATOM 1256 OE1 GLU A 78 -10.223 -0.474 -3.680 1.00 0.41 O ATOM 1257 OE2 GLU A 78 -10.003 -0.573 -1.498 1.00 64.54 O ATOM 0 H GLU A 78 -6.361 -2.402 -4.752 1.00 51.24 H new ATOM 0 HA GLU A 78 -7.500 -4.541 -3.130 1.00 72.53 H new ATOM 0 HB2 GLU A 78 -8.758 -2.432 -4.931 1.00 51.54 H new ATOM 0 HB3 GLU A 78 -9.644 -3.536 -3.897 1.00 51.54 H new ATOM 0 HG2 GLU A 78 -8.487 -2.579 -1.884 1.00 42.13 H new ATOM 0 HG3 GLU A 78 -7.602 -1.475 -2.917 1.00 42.13 H new ATOM 1264 N LYS A 79 -7.144 -4.916 -6.347 1.00 70.34 N ATOM 1265 CA LYS A 79 -7.015 -5.978 -7.376 1.00 52.43 C ATOM 1266 C LYS A 79 -6.220 -7.175 -6.805 1.00 10.21 C ATOM 1267 O LYS A 79 -6.689 -8.327 -6.831 1.00 43.11 O ATOM 1268 CB LYS A 79 -6.321 -5.384 -8.629 1.00 42.34 C ATOM 1269 CG LYS A 79 -5.945 -6.384 -9.740 1.00 40.44 C ATOM 1270 CD LYS A 79 -5.265 -5.682 -10.944 1.00 72.40 C ATOM 1271 CE LYS A 79 -4.815 -6.653 -12.049 1.00 52.11 C ATOM 1272 NZ LYS A 79 -4.250 -5.932 -13.231 1.00 20.45 N ATOM 0 H LYS A 79 -6.734 -4.025 -6.626 1.00 70.34 H new ATOM 0 HA LYS A 79 -8.001 -6.344 -7.663 1.00 52.43 H new ATOM 0 HB2 LYS A 79 -6.978 -4.627 -9.058 1.00 42.34 H new ATOM 0 HB3 LYS A 79 -5.414 -4.873 -8.307 1.00 42.34 H new ATOM 0 HG2 LYS A 79 -5.274 -7.141 -9.335 1.00 40.44 H new ATOM 0 HG3 LYS A 79 -6.841 -6.902 -10.081 1.00 40.44 H new ATOM 0 HD2 LYS A 79 -5.958 -4.956 -11.370 1.00 72.40 H new ATOM 0 HD3 LYS A 79 -4.399 -5.124 -10.587 1.00 72.40 H new ATOM 0 HE2 LYS A 79 -4.066 -7.336 -11.649 1.00 52.11 H new ATOM 0 HE3 LYS A 79 -5.663 -7.260 -12.366 1.00 52.11 H new ATOM 0 HZ1 LYS A 79 -3.959 -6.622 -13.952 1.00 20.45 H new ATOM 0 HZ2 LYS A 79 -4.973 -5.299 -13.629 1.00 20.45 H new ATOM 0 HZ3 LYS A 79 -3.425 -5.373 -12.935 1.00 20.45 H new ATOM 1286 N LEU A 80 -5.044 -6.848 -6.231 1.00 64.25 N ATOM 1287 CA LEU A 80 -4.155 -7.807 -5.550 1.00 44.51 C ATOM 1288 C LEU A 80 -4.813 -8.373 -4.276 1.00 41.41 C ATOM 1289 O LEU A 80 -4.491 -9.476 -3.842 1.00 31.20 O ATOM 1290 CB LEU A 80 -2.813 -7.119 -5.183 1.00 14.12 C ATOM 1291 CG LEU A 80 -1.894 -6.675 -6.362 1.00 5.03 C ATOM 1292 CD1 LEU A 80 -0.628 -5.974 -5.812 1.00 74.02 C ATOM 1293 CD2 LEU A 80 -1.551 -7.876 -7.280 1.00 61.32 C ATOM 0 H LEU A 80 -4.681 -5.895 -6.229 1.00 64.25 H new ATOM 0 HA LEU A 80 -3.967 -8.634 -6.234 1.00 44.51 H new ATOM 0 HB2 LEU A 80 -3.038 -6.239 -4.580 1.00 14.12 H new ATOM 0 HB3 LEU A 80 -2.245 -7.802 -4.551 1.00 14.12 H new ATOM 0 HG LEU A 80 -2.429 -5.953 -6.979 1.00 5.03 H new ATOM 0 HD11 LEU A 80 0.008 -5.667 -6.642 1.00 74.02 H new ATOM 0 HD12 LEU A 80 -0.920 -5.096 -5.235 1.00 74.02 H new ATOM 0 HD13 LEU A 80 -0.080 -6.664 -5.171 1.00 74.02 H new ATOM 0 HD21 LEU A 80 -0.909 -7.540 -8.094 1.00 61.32 H new ATOM 0 HD22 LEU A 80 -1.032 -8.640 -6.701 1.00 61.32 H new ATOM 0 HD23 LEU A 80 -2.470 -8.294 -7.691 1.00 61.32 H new ATOM 1305 N LEU A 81 -5.715 -7.586 -3.674 1.00 31.22 N ATOM 1306 CA LEU A 81 -6.514 -8.018 -2.521 1.00 60.51 C ATOM 1307 C LEU A 81 -7.474 -9.147 -2.935 1.00 42.22 C ATOM 1308 O LEU A 81 -7.633 -10.134 -2.204 1.00 55.45 O ATOM 1309 CB LEU A 81 -7.324 -6.835 -1.959 1.00 43.44 C ATOM 1310 CG LEU A 81 -7.967 -7.059 -0.565 1.00 72.33 C ATOM 1311 CD1 LEU A 81 -6.932 -6.937 0.563 1.00 4.45 C ATOM 1312 CD2 LEU A 81 -9.177 -6.133 -0.357 1.00 33.44 C ATOM 0 H LEU A 81 -5.911 -6.631 -3.974 1.00 31.22 H new ATOM 0 HA LEU A 81 -5.837 -8.386 -1.750 1.00 60.51 H new ATOM 0 HB2 LEU A 81 -6.669 -5.966 -1.901 1.00 43.44 H new ATOM 0 HB3 LEU A 81 -8.115 -6.591 -2.668 1.00 43.44 H new ATOM 0 HG LEU A 81 -8.341 -8.082 -0.529 1.00 72.33 H new ATOM 0 HD11 LEU A 81 -7.420 -7.100 1.524 1.00 4.45 H new ATOM 0 HD12 LEU A 81 -6.150 -7.683 0.422 1.00 4.45 H new ATOM 0 HD13 LEU A 81 -6.490 -5.941 0.545 1.00 4.45 H new ATOM 0 HD21 LEU A 81 -9.607 -6.312 0.628 1.00 33.44 H new ATOM 0 HD22 LEU A 81 -8.856 -5.094 -0.429 1.00 33.44 H new ATOM 0 HD23 LEU A 81 -9.926 -6.336 -1.122 1.00 33.44 H new ATOM 1324 N GLN A 82 -8.122 -8.981 -4.117 1.00 11.33 N ATOM 1325 CA GLN A 82 -9.008 -10.020 -4.682 1.00 60.12 C ATOM 1326 C GLN A 82 -8.180 -11.275 -5.043 1.00 23.04 C ATOM 1327 O GLN A 82 -8.633 -12.400 -4.810 1.00 75.22 O ATOM 1328 CB GLN A 82 -9.813 -9.510 -5.921 1.00 33.22 C ATOM 1329 CG GLN A 82 -10.580 -8.171 -5.734 1.00 12.33 C ATOM 1330 CD GLN A 82 -11.313 -8.025 -4.388 1.00 74.11 C ATOM 1331 OE1 GLN A 82 -12.473 -8.411 -4.247 1.00 50.22 O ATOM 1332 NE2 GLN A 82 -10.661 -7.410 -3.406 1.00 32.41 N ATOM 0 H GLN A 82 -8.045 -8.141 -4.691 1.00 11.33 H new ATOM 0 HA GLN A 82 -9.743 -10.278 -3.919 1.00 60.12 H new ATOM 0 HB2 GLN A 82 -9.122 -9.396 -6.756 1.00 33.22 H new ATOM 0 HB3 GLN A 82 -10.531 -10.280 -6.204 1.00 33.22 H new ATOM 0 HG2 GLN A 82 -9.874 -7.347 -5.837 1.00 12.33 H new ATOM 0 HG3 GLN A 82 -11.307 -8.070 -6.540 1.00 12.33 H new ATOM 0 HE21 GLN A 82 -9.700 -7.100 -3.548 1.00 32.41 H new ATOM 0 HE22 GLN A 82 -11.122 -7.249 -2.511 1.00 32.41 H new ATOM 1341 N ASP A 83 -6.948 -11.051 -5.582 1.00 44.30 N ATOM 1342 CA ASP A 83 -5.957 -12.135 -5.835 1.00 54.13 C ATOM 1343 C ASP A 83 -5.572 -12.878 -4.536 1.00 1.45 C ATOM 1344 O ASP A 83 -5.373 -14.102 -4.543 1.00 11.54 O ATOM 1345 CB ASP A 83 -4.658 -11.585 -6.500 1.00 4.53 C ATOM 1346 CG ASP A 83 -4.847 -11.112 -7.950 1.00 61.10 C ATOM 1347 OD1 ASP A 83 -5.164 -11.955 -8.816 1.00 10.44 O ATOM 1348 OD2 ASP A 83 -4.649 -9.909 -8.242 1.00 63.04 O ATOM 0 H ASP A 83 -6.618 -10.124 -5.850 1.00 44.30 H new ATOM 0 HA ASP A 83 -6.443 -12.834 -6.516 1.00 54.13 H new ATOM 0 HB2 ASP A 83 -4.282 -10.753 -5.904 1.00 4.53 H new ATOM 0 HB3 ASP A 83 -3.895 -12.363 -6.480 1.00 4.53 H new ATOM 1353 N ALA A 84 -5.443 -12.113 -3.436 1.00 20.14 N ATOM 1354 CA ALA A 84 -5.097 -12.655 -2.110 1.00 2.50 C ATOM 1355 C ALA A 84 -6.237 -13.539 -1.574 1.00 11.52 C ATOM 1356 O ALA A 84 -5.990 -14.622 -1.029 1.00 44.23 O ATOM 1357 CB ALA A 84 -4.757 -11.506 -1.135 1.00 71.42 C ATOM 0 H ALA A 84 -5.576 -11.102 -3.442 1.00 20.14 H new ATOM 0 HA ALA A 84 -4.212 -13.284 -2.203 1.00 2.50 H new ATOM 0 HB1 ALA A 84 -4.503 -11.920 -0.159 1.00 71.42 H new ATOM 0 HB2 ALA A 84 -3.909 -10.940 -1.521 1.00 71.42 H new ATOM 0 HB3 ALA A 84 -5.619 -10.846 -1.036 1.00 71.42 H new ATOM 1363 N TYR A 85 -7.488 -13.071 -1.762 1.00 41.54 N ATOM 1364 CA TYR A 85 -8.703 -13.814 -1.348 1.00 13.41 C ATOM 1365 C TYR A 85 -8.888 -15.126 -2.146 1.00 12.21 C ATOM 1366 O TYR A 85 -9.607 -16.031 -1.699 1.00 23.03 O ATOM 1367 CB TYR A 85 -9.958 -12.910 -1.483 1.00 11.32 C ATOM 1368 CG TYR A 85 -9.986 -11.705 -0.515 1.00 54.55 C ATOM 1369 CD1 TYR A 85 -9.509 -11.827 0.799 1.00 23.44 C ATOM 1370 CD2 TYR A 85 -10.508 -10.456 -0.893 1.00 4.53 C ATOM 1371 CE1 TYR A 85 -9.543 -10.761 1.678 1.00 53.34 C ATOM 1372 CE2 TYR A 85 -10.538 -9.399 -0.010 1.00 35.23 C ATOM 1373 CZ TYR A 85 -10.061 -9.558 1.269 1.00 63.44 C ATOM 1374 OH TYR A 85 -10.095 -8.495 2.145 1.00 11.55 O ATOM 0 H TYR A 85 -7.687 -12.173 -2.202 1.00 41.54 H new ATOM 0 HA TYR A 85 -8.574 -14.093 -0.302 1.00 13.41 H new ATOM 0 HB2 TYR A 85 -10.015 -12.539 -2.506 1.00 11.32 H new ATOM 0 HB3 TYR A 85 -10.847 -13.517 -1.314 1.00 11.32 H new ATOM 0 HD1 TYR A 85 -9.107 -12.773 1.130 1.00 23.44 H new ATOM 0 HD2 TYR A 85 -10.892 -10.323 -1.893 1.00 4.53 H new ATOM 0 HE1 TYR A 85 -9.163 -10.874 2.683 1.00 53.34 H new ATOM 0 HE2 TYR A 85 -10.936 -8.445 -0.323 1.00 35.23 H new ATOM 0 HH TYR A 85 -9.946 -8.819 3.058 1.00 11.55 H new ATOM 1384 N GLU A 86 -8.249 -15.208 -3.327 1.00 73.11 N ATOM 1385 CA GLU A 86 -8.235 -16.427 -4.165 1.00 43.23 C ATOM 1386 C GLU A 86 -7.196 -17.456 -3.664 1.00 30.52 C ATOM 1387 O GLU A 86 -6.299 -17.130 -2.874 1.00 43.53 O ATOM 1388 CB GLU A 86 -7.967 -16.045 -5.646 1.00 62.22 C ATOM 1389 CG GLU A 86 -9.129 -15.284 -6.318 1.00 22.35 C ATOM 1390 CD GLU A 86 -8.816 -14.834 -7.752 1.00 22.30 C ATOM 1391 OE1 GLU A 86 -8.889 -15.674 -8.677 1.00 30.42 O ATOM 1392 OE2 GLU A 86 -8.507 -13.640 -7.964 1.00 43.04 O ATOM 0 H GLU A 86 -7.726 -14.431 -3.730 1.00 73.11 H new ATOM 0 HA GLU A 86 -9.214 -16.901 -4.091 1.00 43.23 H new ATOM 0 HB2 GLU A 86 -7.068 -15.431 -5.695 1.00 62.22 H new ATOM 0 HB3 GLU A 86 -7.764 -16.953 -6.214 1.00 62.22 H new ATOM 0 HG2 GLU A 86 -10.012 -15.922 -6.330 1.00 22.35 H new ATOM 0 HG3 GLU A 86 -9.376 -14.409 -5.717 1.00 22.35 H new ATOM 1399 N ARG A 87 -7.355 -18.703 -4.167 1.00 70.53 N ATOM 1400 CA ARG A 87 -6.559 -19.889 -3.784 1.00 62.10 C ATOM 1401 C ARG A 87 -6.665 -20.196 -2.267 1.00 24.24 C ATOM 1402 O ARG A 87 -7.566 -20.932 -1.831 1.00 33.31 O ATOM 1403 CB ARG A 87 -5.052 -19.815 -4.255 1.00 75.41 C ATOM 1404 CG ARG A 87 -4.774 -20.110 -5.761 1.00 42.25 C ATOM 1405 CD ARG A 87 -4.897 -18.889 -6.702 1.00 41.41 C ATOM 1406 NE ARG A 87 -4.444 -19.238 -8.070 1.00 62.24 N ATOM 1407 CZ ARG A 87 -3.998 -18.386 -9.008 1.00 33.04 C ATOM 1408 NH1 ARG A 87 -3.933 -17.080 -8.773 1.00 44.45 N ATOM 1409 NH2 ARG A 87 -3.602 -18.863 -10.182 1.00 3.21 N ATOM 0 H ARG A 87 -8.062 -18.916 -4.871 1.00 70.53 H new ATOM 0 HA ARG A 87 -7.004 -20.725 -4.324 1.00 62.10 H new ATOM 0 HB2 ARG A 87 -4.673 -18.819 -4.028 1.00 75.41 H new ATOM 0 HB3 ARG A 87 -4.474 -20.520 -3.658 1.00 75.41 H new ATOM 0 HG2 ARG A 87 -3.769 -20.522 -5.855 1.00 42.25 H new ATOM 0 HG3 ARG A 87 -5.467 -20.880 -6.098 1.00 42.25 H new ATOM 0 HD2 ARG A 87 -5.932 -18.548 -6.731 1.00 41.41 H new ATOM 0 HD3 ARG A 87 -4.300 -18.063 -6.315 1.00 41.41 H new ATOM 0 HE ARG A 87 -4.474 -20.225 -8.325 1.00 62.24 H new ATOM 0 HH11 ARG A 87 -4.224 -16.709 -7.868 1.00 44.45 H new ATOM 0 HH12 ARG A 87 -3.592 -16.448 -9.497 1.00 44.45 H new ATOM 0 HH21 ARG A 87 -3.638 -19.866 -10.363 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -3.261 -18.226 -10.902 1.00 3.21 H new ATOM 1423 N SER A 88 -5.780 -19.578 -1.466 1.00 44.21 N ATOM 1424 CA SER A 88 -5.550 -19.962 -0.066 1.00 74.31 C ATOM 1425 C SER A 88 -5.669 -18.729 0.845 1.00 64.43 C ATOM 1426 O SER A 88 -4.664 -18.069 1.150 1.00 63.21 O ATOM 1427 CB SER A 88 -4.151 -20.631 0.072 1.00 34.42 C ATOM 1428 OG SER A 88 -4.020 -21.750 -0.797 1.00 3.45 O ATOM 0 H SER A 88 -5.203 -18.795 -1.774 1.00 44.21 H new ATOM 0 HA SER A 88 -6.307 -20.683 0.243 1.00 74.31 H new ATOM 0 HB2 SER A 88 -3.374 -19.901 -0.153 1.00 34.42 H new ATOM 0 HB3 SER A 88 -3.999 -20.950 1.103 1.00 34.42 H new ATOM 0 HG SER A 88 -3.131 -22.147 -0.688 1.00 3.45 H new ATOM 1434 N GLU A 89 -6.918 -18.393 1.230 1.00 3.23 N ATOM 1435 CA GLU A 89 -7.186 -17.325 2.208 1.00 23.42 C ATOM 1436 C GLU A 89 -6.797 -17.809 3.622 1.00 62.44 C ATOM 1437 O GLU A 89 -7.517 -18.607 4.238 1.00 14.41 O ATOM 1438 CB GLU A 89 -8.675 -16.872 2.180 1.00 61.12 C ATOM 1439 CG GLU A 89 -9.001 -15.753 3.209 1.00 21.45 C ATOM 1440 CD GLU A 89 -10.487 -15.374 3.277 1.00 4.51 C ATOM 1441 OE1 GLU A 89 -11.288 -16.186 3.800 1.00 5.11 O ATOM 1442 OE2 GLU A 89 -10.861 -14.266 2.830 1.00 21.51 O ATOM 0 H GLU A 89 -7.758 -18.850 0.875 1.00 3.23 H new ATOM 0 HA GLU A 89 -6.581 -16.460 1.938 1.00 23.42 H new ATOM 0 HB2 GLU A 89 -8.920 -16.517 1.179 1.00 61.12 H new ATOM 0 HB3 GLU A 89 -9.313 -17.734 2.378 1.00 61.12 H new ATOM 0 HG2 GLU A 89 -8.675 -16.077 4.197 1.00 21.45 H new ATOM 0 HG3 GLU A 89 -8.422 -14.864 2.958 1.00 21.45 H new ATOM 1449 N SER A 90 -5.623 -17.375 4.099 1.00 11.22 N ATOM 1450 CA SER A 90 -5.161 -17.613 5.479 1.00 42.24 C ATOM 1451 C SER A 90 -4.573 -16.288 6.053 1.00 24.52 C ATOM 1452 O SER A 90 -4.965 -15.203 5.607 1.00 15.33 O ATOM 1453 CB SER A 90 -4.153 -18.798 5.481 1.00 11.13 C ATOM 1454 OG SER A 90 -4.712 -20.001 4.946 1.00 72.41 O ATOM 0 H SER A 90 -4.959 -16.844 3.536 1.00 11.22 H new ATOM 0 HA SER A 90 -5.984 -17.901 6.134 1.00 42.24 H new ATOM 0 HB2 SER A 90 -3.273 -18.522 4.900 1.00 11.13 H new ATOM 0 HB3 SER A 90 -3.817 -18.981 6.501 1.00 11.13 H new ATOM 0 HG SER A 90 -4.039 -20.713 4.968 1.00 72.41 H new ATOM 1460 N LEU A 91 -3.649 -16.363 7.034 1.00 62.14 N ATOM 1461 CA LEU A 91 -3.227 -15.183 7.833 1.00 4.23 C ATOM 1462 C LEU A 91 -2.162 -14.312 7.117 1.00 23.15 C ATOM 1463 O LEU A 91 -1.855 -13.209 7.585 1.00 54.44 O ATOM 1464 CB LEU A 91 -2.764 -15.611 9.260 1.00 40.31 C ATOM 1465 CG LEU A 91 -3.867 -16.253 10.194 1.00 15.45 C ATOM 1466 CD1 LEU A 91 -4.163 -17.738 9.834 1.00 23.34 C ATOM 1467 CD2 LEU A 91 -3.490 -16.085 11.690 1.00 22.01 C ATOM 0 H LEU A 91 -3.177 -17.229 7.296 1.00 62.14 H new ATOM 0 HA LEU A 91 -4.106 -14.547 7.939 1.00 4.23 H new ATOM 0 HB2 LEU A 91 -1.948 -16.326 9.154 1.00 40.31 H new ATOM 0 HB3 LEU A 91 -2.357 -14.735 9.764 1.00 40.31 H new ATOM 0 HG LEU A 91 -4.795 -15.709 10.018 1.00 15.45 H new ATOM 0 HD11 LEU A 91 -4.927 -18.130 10.506 1.00 23.34 H new ATOM 0 HD12 LEU A 91 -4.518 -17.799 8.805 1.00 23.34 H new ATOM 0 HD13 LEU A 91 -3.251 -18.326 9.939 1.00 23.34 H new ATOM 0 HD21 LEU A 91 -4.264 -16.534 12.313 1.00 22.01 H new ATOM 0 HD22 LEU A 91 -2.537 -16.578 11.883 1.00 22.01 H new ATOM 0 HD23 LEU A 91 -3.404 -15.024 11.927 1.00 22.01 H new ATOM 1479 N GLU A 92 -1.616 -14.799 5.979 1.00 73.31 N ATOM 1480 CA GLU A 92 -0.806 -13.959 5.060 1.00 14.13 C ATOM 1481 C GLU A 92 -1.731 -13.026 4.260 1.00 32.01 C ATOM 1482 O GLU A 92 -1.379 -11.878 3.975 1.00 50.30 O ATOM 1483 CB GLU A 92 0.084 -14.803 4.095 1.00 61.23 C ATOM 1484 CG GLU A 92 -0.625 -15.903 3.262 1.00 51.51 C ATOM 1485 CD GLU A 92 -0.487 -17.296 3.901 1.00 14.53 C ATOM 1486 OE1 GLU A 92 -1.270 -17.615 4.812 1.00 22.13 O ATOM 1487 OE2 GLU A 92 0.448 -18.042 3.538 1.00 54.34 O ATOM 0 H GLU A 92 -1.720 -15.767 5.674 1.00 73.31 H new ATOM 0 HA GLU A 92 -0.125 -13.369 5.674 1.00 14.13 H new ATOM 0 HB2 GLU A 92 0.576 -14.119 3.403 1.00 61.23 H new ATOM 0 HB3 GLU A 92 0.868 -15.278 4.686 1.00 61.23 H new ATOM 0 HG2 GLU A 92 -1.682 -15.655 3.160 1.00 51.51 H new ATOM 0 HG3 GLU A 92 -0.204 -15.923 2.257 1.00 51.51 H new ATOM 1494 N VAL A 93 -2.919 -13.545 3.915 1.00 65.02 N ATOM 1495 CA VAL A 93 -3.982 -12.792 3.224 1.00 61.45 C ATOM 1496 C VAL A 93 -4.620 -11.762 4.180 1.00 53.42 C ATOM 1497 O VAL A 93 -4.884 -10.627 3.786 1.00 14.40 O ATOM 1498 CB VAL A 93 -5.063 -13.792 2.685 1.00 23.43 C ATOM 1499 CG1 VAL A 93 -6.261 -13.085 2.015 1.00 63.13 C ATOM 1500 CG2 VAL A 93 -4.414 -14.825 1.738 1.00 1.11 C ATOM 0 H VAL A 93 -3.174 -14.513 4.110 1.00 65.02 H new ATOM 0 HA VAL A 93 -3.551 -12.249 2.383 1.00 61.45 H new ATOM 0 HB VAL A 93 -5.473 -14.316 3.549 1.00 23.43 H new ATOM 0 HG11 VAL A 93 -6.973 -13.831 1.663 1.00 63.13 H new ATOM 0 HG12 VAL A 93 -6.748 -12.431 2.738 1.00 63.13 H new ATOM 0 HG13 VAL A 93 -5.908 -12.493 1.170 1.00 63.13 H new ATOM 0 HG21 VAL A 93 -5.177 -15.512 1.372 1.00 1.11 H new ATOM 0 HG22 VAL A 93 -3.956 -14.308 0.895 1.00 1.11 H new ATOM 0 HG23 VAL A 93 -3.650 -15.385 2.278 1.00 1.11 H new ATOM 1510 N ALA A 94 -4.856 -12.187 5.436 1.00 72.24 N ATOM 1511 CA ALA A 94 -5.400 -11.322 6.508 1.00 70.11 C ATOM 1512 C ALA A 94 -4.438 -10.153 6.826 1.00 62.50 C ATOM 1513 O ALA A 94 -4.873 -9.002 7.017 1.00 23.41 O ATOM 1514 CB ALA A 94 -5.681 -12.168 7.759 1.00 10.43 C ATOM 0 H ALA A 94 -4.675 -13.144 5.740 1.00 72.24 H new ATOM 0 HA ALA A 94 -6.336 -10.882 6.164 1.00 70.11 H new ATOM 0 HB1 ALA A 94 -6.081 -11.530 8.547 1.00 10.43 H new ATOM 0 HB2 ALA A 94 -6.406 -12.945 7.517 1.00 10.43 H new ATOM 0 HB3 ALA A 94 -4.755 -12.630 8.101 1.00 10.43 H new ATOM 1520 N PHE A 95 -3.128 -10.480 6.869 1.00 5.12 N ATOM 1521 CA PHE A 95 -2.034 -9.496 6.994 1.00 70.21 C ATOM 1522 C PHE A 95 -2.090 -8.468 5.839 1.00 52.22 C ATOM 1523 O PHE A 95 -2.060 -7.256 6.067 1.00 74.33 O ATOM 1524 CB PHE A 95 -0.663 -10.254 7.022 1.00 11.14 C ATOM 1525 CG PHE A 95 0.554 -9.410 6.629 1.00 72.21 C ATOM 1526 CD1 PHE A 95 1.110 -8.485 7.512 1.00 3.15 C ATOM 1527 CD2 PHE A 95 1.117 -9.526 5.354 1.00 15.33 C ATOM 1528 CE1 PHE A 95 2.170 -7.691 7.125 1.00 24.04 C ATOM 1529 CE2 PHE A 95 2.177 -8.740 4.975 1.00 31.05 C ATOM 1530 CZ PHE A 95 2.706 -7.824 5.858 1.00 61.21 C ATOM 0 H PHE A 95 -2.799 -11.444 6.817 1.00 5.12 H new ATOM 0 HA PHE A 95 -2.146 -8.940 7.925 1.00 70.21 H new ATOM 0 HB2 PHE A 95 -0.504 -10.648 8.026 1.00 11.14 H new ATOM 0 HB3 PHE A 95 -0.725 -11.110 6.350 1.00 11.14 H new ATOM 0 HD1 PHE A 95 0.707 -8.389 8.509 1.00 3.15 H new ATOM 0 HD2 PHE A 95 0.712 -10.245 4.657 1.00 15.33 H new ATOM 0 HE1 PHE A 95 2.581 -6.966 7.812 1.00 24.04 H new ATOM 0 HE2 PHE A 95 2.596 -8.840 3.985 1.00 31.05 H new ATOM 0 HZ PHE A 95 3.542 -7.208 5.559 1.00 61.21 H new ATOM 1540 N VAL A 96 -2.168 -8.986 4.602 1.00 20.43 N ATOM 1541 CA VAL A 96 -2.228 -8.167 3.376 1.00 3.52 C ATOM 1542 C VAL A 96 -3.494 -7.290 3.345 1.00 54.33 C ATOM 1543 O VAL A 96 -3.439 -6.153 2.878 1.00 53.43 O ATOM 1544 CB VAL A 96 -2.097 -9.082 2.081 1.00 71.21 C ATOM 1545 CG1 VAL A 96 -2.815 -8.503 0.829 1.00 53.30 C ATOM 1546 CG2 VAL A 96 -0.597 -9.351 1.776 1.00 52.33 C ATOM 0 H VAL A 96 -2.191 -9.990 4.422 1.00 20.43 H new ATOM 0 HA VAL A 96 -1.378 -7.485 3.380 1.00 3.52 H new ATOM 0 HB VAL A 96 -2.606 -10.019 2.308 1.00 71.21 H new ATOM 0 HG11 VAL A 96 -2.682 -9.182 -0.013 1.00 53.30 H new ATOM 0 HG12 VAL A 96 -3.879 -8.390 1.039 1.00 53.30 H new ATOM 0 HG13 VAL A 96 -2.389 -7.531 0.582 1.00 53.30 H new ATOM 0 HG21 VAL A 96 -0.513 -9.978 0.888 1.00 52.33 H new ATOM 0 HG22 VAL A 96 -0.086 -8.404 1.601 1.00 52.33 H new ATOM 0 HG23 VAL A 96 -0.139 -9.860 2.624 1.00 52.33 H new ATOM 1556 N THR A 97 -4.614 -7.808 3.885 1.00 43.10 N ATOM 1557 CA THR A 97 -5.871 -7.052 3.986 1.00 43.12 C ATOM 1558 C THR A 97 -5.678 -5.857 4.925 1.00 2.40 C ATOM 1559 O THR A 97 -6.019 -4.720 4.570 1.00 42.24 O ATOM 1560 CB THR A 97 -7.059 -7.959 4.466 1.00 44.25 C ATOM 1561 OG1 THR A 97 -7.274 -9.018 3.515 1.00 71.22 O ATOM 1562 CG2 THR A 97 -8.374 -7.174 4.651 1.00 71.33 C ATOM 0 H THR A 97 -4.670 -8.755 4.260 1.00 43.10 H new ATOM 0 HA THR A 97 -6.133 -6.688 2.993 1.00 43.12 H new ATOM 0 HB THR A 97 -6.777 -8.362 5.439 1.00 44.25 H new ATOM 0 HG1 THR A 97 -6.508 -9.629 3.527 1.00 71.22 H new ATOM 0 HG21 THR A 97 -9.159 -7.853 4.984 1.00 71.33 H new ATOM 0 HG22 THR A 97 -8.229 -6.393 5.397 1.00 71.33 H new ATOM 0 HG23 THR A 97 -8.664 -6.721 3.703 1.00 71.33 H new ATOM 1570 N GLN A 98 -5.053 -6.141 6.088 1.00 14.03 N ATOM 1571 CA GLN A 98 -4.720 -5.123 7.100 1.00 63.30 C ATOM 1572 C GLN A 98 -3.856 -4.001 6.475 1.00 14.24 C ATOM 1573 O GLN A 98 -4.172 -2.828 6.602 1.00 54.31 O ATOM 1574 CB GLN A 98 -3.970 -5.801 8.288 1.00 22.25 C ATOM 1575 CG GLN A 98 -3.584 -4.867 9.457 1.00 73.05 C ATOM 1576 CD GLN A 98 -4.785 -4.163 10.098 1.00 40.42 C ATOM 1577 OE1 GLN A 98 -5.139 -3.041 9.730 1.00 54.12 O ATOM 1578 NE2 GLN A 98 -5.441 -4.836 11.032 1.00 40.31 N ATOM 0 H GLN A 98 -4.766 -7.084 6.349 1.00 14.03 H new ATOM 0 HA GLN A 98 -5.639 -4.670 7.472 1.00 63.30 H new ATOM 0 HB2 GLN A 98 -4.597 -6.603 8.679 1.00 22.25 H new ATOM 0 HB3 GLN A 98 -3.062 -6.265 7.903 1.00 22.25 H new ATOM 0 HG2 GLN A 98 -3.064 -5.447 10.219 1.00 73.05 H new ATOM 0 HG3 GLN A 98 -2.883 -4.115 9.095 1.00 73.05 H new ATOM 0 HE21 GLN A 98 -5.121 -5.763 11.313 1.00 40.31 H new ATOM 0 HE22 GLN A 98 -6.267 -4.427 11.470 1.00 40.31 H new ATOM 1587 N LEU A 99 -2.818 -4.419 5.734 1.00 55.34 N ATOM 1588 CA LEU A 99 -1.798 -3.518 5.138 1.00 14.22 C ATOM 1589 C LEU A 99 -2.381 -2.620 4.022 1.00 14.40 C ATOM 1590 O LEU A 99 -2.164 -1.403 4.036 1.00 1.40 O ATOM 1591 CB LEU A 99 -0.604 -4.375 4.613 1.00 2.43 C ATOM 1592 CG LEU A 99 0.495 -4.816 5.668 1.00 5.42 C ATOM 1593 CD1 LEU A 99 1.788 -3.984 5.536 1.00 44.13 C ATOM 1594 CD2 LEU A 99 -0.012 -4.795 7.148 1.00 44.24 C ATOM 0 H LEU A 99 -2.654 -5.404 5.525 1.00 55.34 H new ATOM 0 HA LEU A 99 -1.445 -2.839 5.914 1.00 14.22 H new ATOM 0 HB2 LEU A 99 -1.012 -5.276 4.154 1.00 2.43 H new ATOM 0 HB3 LEU A 99 -0.107 -3.812 3.823 1.00 2.43 H new ATOM 0 HG LEU A 99 0.719 -5.854 5.424 1.00 5.42 H new ATOM 0 HD11 LEU A 99 2.514 -4.319 6.277 1.00 44.13 H new ATOM 0 HD12 LEU A 99 2.204 -4.114 4.537 1.00 44.13 H new ATOM 0 HD13 LEU A 99 1.561 -2.931 5.701 1.00 44.13 H new ATOM 0 HD21 LEU A 99 0.793 -5.108 7.813 1.00 44.24 H new ATOM 0 HD22 LEU A 99 -0.327 -3.785 7.410 1.00 44.24 H new ATOM 0 HD23 LEU A 99 -0.856 -5.477 7.253 1.00 44.24 H new ATOM 1606 N VAL A 100 -3.104 -3.241 3.066 1.00 11.44 N ATOM 1607 CA VAL A 100 -3.796 -2.534 1.956 1.00 34.40 C ATOM 1608 C VAL A 100 -4.774 -1.484 2.516 1.00 71.43 C ATOM 1609 O VAL A 100 -4.709 -0.292 2.169 1.00 55.24 O ATOM 1610 CB VAL A 100 -4.574 -3.570 1.028 1.00 13.01 C ATOM 1611 CG1 VAL A 100 -5.683 -2.907 0.165 1.00 21.41 C ATOM 1612 CG2 VAL A 100 -3.592 -4.364 0.133 1.00 72.41 C ATOM 0 H VAL A 100 -3.228 -4.253 3.038 1.00 11.44 H new ATOM 0 HA VAL A 100 -3.044 -2.026 1.352 1.00 34.40 H new ATOM 0 HB VAL A 100 -5.076 -4.262 1.705 1.00 13.01 H new ATOM 0 HG11 VAL A 100 -6.174 -3.667 -0.443 1.00 21.41 H new ATOM 0 HG12 VAL A 100 -6.417 -2.434 0.817 1.00 21.41 H new ATOM 0 HG13 VAL A 100 -5.237 -2.154 -0.485 1.00 21.41 H new ATOM 0 HG21 VAL A 100 -4.151 -5.063 -0.489 1.00 72.41 H new ATOM 0 HG22 VAL A 100 -3.040 -3.673 -0.504 1.00 72.41 H new ATOM 0 HG23 VAL A 100 -2.893 -4.916 0.761 1.00 72.41 H new ATOM 1622 N LYS A 101 -5.636 -1.954 3.428 1.00 14.43 N ATOM 1623 CA LYS A 101 -6.741 -1.171 3.999 1.00 21.11 C ATOM 1624 C LYS A 101 -6.215 -0.014 4.864 1.00 70.53 C ATOM 1625 O LYS A 101 -6.743 1.091 4.807 1.00 3.00 O ATOM 1626 CB LYS A 101 -7.632 -2.124 4.822 1.00 21.24 C ATOM 1627 CG LYS A 101 -8.981 -1.555 5.309 1.00 12.14 C ATOM 1628 CD LYS A 101 -9.827 -2.646 6.018 1.00 1.52 C ATOM 1629 CE LYS A 101 -10.155 -3.843 5.087 1.00 20.42 C ATOM 1630 NZ LYS A 101 -11.253 -3.533 4.141 1.00 55.54 N ATOM 0 H LYS A 101 -5.584 -2.904 3.796 1.00 14.43 H new ATOM 0 HA LYS A 101 -7.326 -0.720 3.197 1.00 21.11 H new ATOM 0 HB2 LYS A 101 -7.833 -3.010 4.219 1.00 21.24 H new ATOM 0 HB3 LYS A 101 -7.066 -2.453 5.693 1.00 21.24 H new ATOM 0 HG2 LYS A 101 -8.803 -0.726 5.995 1.00 12.14 H new ATOM 0 HG3 LYS A 101 -9.537 -1.154 4.461 1.00 12.14 H new ATOM 0 HD2 LYS A 101 -9.287 -3.008 6.893 1.00 1.52 H new ATOM 0 HD3 LYS A 101 -10.756 -2.204 6.377 1.00 1.52 H new ATOM 0 HE2 LYS A 101 -9.262 -4.120 4.526 1.00 20.42 H new ATOM 0 HE3 LYS A 101 -10.432 -4.706 5.692 1.00 20.42 H new ATOM 0 HZ1 LYS A 101 -11.437 -4.361 3.540 1.00 55.54 H new ATOM 0 HZ2 LYS A 101 -12.113 -3.294 4.674 1.00 55.54 H new ATOM 0 HZ3 LYS A 101 -10.980 -2.726 3.545 1.00 55.54 H new ATOM 1644 N LYS A 102 -5.145 -0.289 5.632 1.00 2.41 N ATOM 1645 CA LYS A 102 -4.513 0.686 6.550 1.00 22.31 C ATOM 1646 C LYS A 102 -3.779 1.778 5.761 1.00 33.44 C ATOM 1647 O LYS A 102 -3.889 2.964 6.086 1.00 3.43 O ATOM 1648 CB LYS A 102 -3.524 -0.044 7.489 1.00 3.31 C ATOM 1649 CG LYS A 102 -2.858 0.829 8.571 1.00 44.22 C ATOM 1650 CD LYS A 102 -1.962 -0.012 9.510 1.00 1.32 C ATOM 1651 CE LYS A 102 -1.316 0.812 10.629 1.00 44.24 C ATOM 1652 NZ LYS A 102 -0.520 -0.048 11.542 1.00 41.32 N ATOM 0 H LYS A 102 -4.688 -1.201 5.635 1.00 2.41 H new ATOM 0 HA LYS A 102 -5.294 1.159 7.146 1.00 22.31 H new ATOM 0 HB2 LYS A 102 -4.054 -0.859 7.982 1.00 3.31 H new ATOM 0 HB3 LYS A 102 -2.741 -0.496 6.880 1.00 3.31 H new ATOM 0 HG2 LYS A 102 -2.259 1.605 8.095 1.00 44.22 H new ATOM 0 HG3 LYS A 102 -3.627 1.333 9.156 1.00 44.22 H new ATOM 0 HD2 LYS A 102 -2.559 -0.809 9.953 1.00 1.32 H new ATOM 0 HD3 LYS A 102 -1.179 -0.490 8.922 1.00 1.32 H new ATOM 0 HE2 LYS A 102 -0.673 1.578 10.195 1.00 44.24 H new ATOM 0 HE3 LYS A 102 -2.090 1.329 11.196 1.00 44.24 H new ATOM 0 HZ1 LYS A 102 -0.095 0.538 12.289 1.00 41.32 H new ATOM 0 HZ2 LYS A 102 -1.140 -0.763 11.974 1.00 41.32 H new ATOM 0 HZ3 LYS A 102 0.233 -0.522 11.004 1.00 41.32 H new ATOM 1666 N LEU A 103 -3.037 1.353 4.710 1.00 21.22 N ATOM 1667 CA LEU A 103 -2.354 2.276 3.778 1.00 71.05 C ATOM 1668 C LEU A 103 -3.392 3.182 3.091 1.00 13.11 C ATOM 1669 O LEU A 103 -3.149 4.374 2.881 1.00 51.25 O ATOM 1670 CB LEU A 103 -1.531 1.484 2.718 1.00 2.20 C ATOM 1671 CG LEU A 103 -0.660 2.341 1.730 1.00 61.14 C ATOM 1672 CD1 LEU A 103 0.404 3.182 2.485 1.00 13.13 C ATOM 1673 CD2 LEU A 103 -0.016 1.456 0.627 1.00 10.34 C ATOM 0 H LEU A 103 -2.897 0.367 4.487 1.00 21.22 H new ATOM 0 HA LEU A 103 -1.660 2.897 4.345 1.00 71.05 H new ATOM 0 HB2 LEU A 103 -0.872 0.793 3.243 1.00 2.20 H new ATOM 0 HB3 LEU A 103 -2.222 0.881 2.129 1.00 2.20 H new ATOM 0 HG LEU A 103 -1.329 3.044 1.233 1.00 61.14 H new ATOM 0 HD11 LEU A 103 0.986 3.761 1.768 1.00 13.13 H new ATOM 0 HD12 LEU A 103 -0.093 3.859 3.179 1.00 13.13 H new ATOM 0 HD13 LEU A 103 1.067 2.517 3.039 1.00 13.13 H new ATOM 0 HD21 LEU A 103 0.579 2.081 -0.039 1.00 10.34 H new ATOM 0 HD22 LEU A 103 0.625 0.706 1.090 1.00 10.34 H new ATOM 0 HD23 LEU A 103 -0.800 0.960 0.055 1.00 10.34 H new ATOM 1685 N LEU A 104 -4.568 2.592 2.780 1.00 13.13 N ATOM 1686 CA LEU A 104 -5.719 3.323 2.220 1.00 30.02 C ATOM 1687 C LEU A 104 -6.293 4.334 3.246 1.00 34.41 C ATOM 1688 O LEU A 104 -6.637 5.455 2.876 1.00 65.35 O ATOM 1689 CB LEU A 104 -6.819 2.335 1.737 1.00 5.51 C ATOM 1690 CG LEU A 104 -8.100 2.988 1.115 1.00 50.25 C ATOM 1691 CD1 LEU A 104 -7.743 3.911 -0.081 1.00 3.11 C ATOM 1692 CD2 LEU A 104 -9.137 1.905 0.726 1.00 65.31 C ATOM 0 H LEU A 104 -4.742 1.596 2.911 1.00 13.13 H new ATOM 0 HA LEU A 104 -5.369 3.889 1.357 1.00 30.02 H new ATOM 0 HB2 LEU A 104 -6.380 1.666 0.997 1.00 5.51 H new ATOM 0 HB3 LEU A 104 -7.123 1.719 2.583 1.00 5.51 H new ATOM 0 HG LEU A 104 -8.560 3.621 1.874 1.00 50.25 H new ATOM 0 HD11 LEU A 104 -8.655 4.347 -0.489 1.00 3.11 H new ATOM 0 HD12 LEU A 104 -7.080 4.707 0.259 1.00 3.11 H new ATOM 0 HD13 LEU A 104 -7.243 3.328 -0.854 1.00 3.11 H new ATOM 0 HD21 LEU A 104 -10.018 2.382 0.296 1.00 65.31 H new ATOM 0 HD22 LEU A 104 -8.698 1.227 -0.006 1.00 65.31 H new ATOM 0 HD23 LEU A 104 -9.426 1.342 1.614 1.00 65.31 H new ATOM 1704 N ILE A 105 -6.366 3.926 4.534 1.00 24.02 N ATOM 1705 CA ILE A 105 -6.830 4.792 5.652 1.00 74.02 C ATOM 1706 C ILE A 105 -5.851 5.983 5.871 1.00 20.14 C ATOM 1707 O ILE A 105 -6.272 7.070 6.265 1.00 1.14 O ATOM 1708 CB ILE A 105 -7.019 3.944 6.994 1.00 32.12 C ATOM 1709 CG1 ILE A 105 -8.211 2.927 6.854 1.00 72.33 C ATOM 1710 CG2 ILE A 105 -7.213 4.837 8.257 1.00 34.04 C ATOM 1711 CD1 ILE A 105 -8.354 1.928 8.003 1.00 61.02 C ATOM 0 H ILE A 105 -6.105 2.986 4.832 1.00 24.02 H new ATOM 0 HA ILE A 105 -7.803 5.203 5.381 1.00 74.02 H new ATOM 0 HB ILE A 105 -6.092 3.389 7.138 1.00 32.12 H new ATOM 0 HG12 ILE A 105 -9.140 3.491 6.766 1.00 72.33 H new ATOM 0 HG13 ILE A 105 -8.086 2.372 5.924 1.00 72.33 H new ATOM 0 HG21 ILE A 105 -7.336 4.203 9.135 1.00 34.04 H new ATOM 0 HG22 ILE A 105 -6.339 5.475 8.389 1.00 34.04 H new ATOM 0 HG23 ILE A 105 -8.100 5.458 8.131 1.00 34.04 H new ATOM 0 HD11 ILE A 105 -9.203 1.272 7.811 1.00 61.02 H new ATOM 0 HD12 ILE A 105 -7.445 1.331 8.081 1.00 61.02 H new ATOM 0 HD13 ILE A 105 -8.515 2.468 8.936 1.00 61.02 H new ATOM 1723 N ILE A 106 -4.546 5.771 5.598 1.00 4.40 N ATOM 1724 CA ILE A 106 -3.520 6.844 5.684 1.00 52.20 C ATOM 1725 C ILE A 106 -3.696 7.877 4.542 1.00 15.42 C ATOM 1726 O ILE A 106 -3.792 9.090 4.791 1.00 54.15 O ATOM 1727 CB ILE A 106 -2.060 6.231 5.665 1.00 72.42 C ATOM 1728 CG1 ILE A 106 -1.869 5.273 6.886 1.00 71.13 C ATOM 1729 CG2 ILE A 106 -0.963 7.335 5.646 1.00 74.02 C ATOM 1730 CD1 ILE A 106 -0.601 4.444 6.864 1.00 54.33 C ATOM 0 H ILE A 106 -4.173 4.865 5.315 1.00 4.40 H new ATOM 0 HA ILE A 106 -3.659 7.364 6.632 1.00 52.20 H new ATOM 0 HB ILE A 106 -1.948 5.660 4.743 1.00 72.42 H new ATOM 0 HG12 ILE A 106 -1.879 5.868 7.799 1.00 71.13 H new ATOM 0 HG13 ILE A 106 -2.724 4.599 6.935 1.00 71.13 H new ATOM 0 HG21 ILE A 106 0.022 6.869 5.633 1.00 74.02 H new ATOM 0 HG22 ILE A 106 -1.084 7.953 4.756 1.00 74.02 H new ATOM 0 HG23 ILE A 106 -1.058 7.958 6.535 1.00 74.02 H new ATOM 0 HD11 ILE A 106 -0.563 3.814 7.753 1.00 54.33 H new ATOM 0 HD12 ILE A 106 -0.592 3.816 5.973 1.00 54.33 H new ATOM 0 HD13 ILE A 106 0.266 5.105 6.850 1.00 54.33 H new ATOM 1742 N ILE A 107 -3.772 7.375 3.292 1.00 31.41 N ATOM 1743 CA ILE A 107 -3.753 8.225 2.073 1.00 72.40 C ATOM 1744 C ILE A 107 -5.130 8.843 1.737 1.00 73.24 C ATOM 1745 O ILE A 107 -5.209 9.835 0.998 1.00 71.23 O ATOM 1746 CB ILE A 107 -3.189 7.434 0.826 1.00 34.03 C ATOM 1747 CG1 ILE A 107 -4.143 6.267 0.401 1.00 32.13 C ATOM 1748 CG2 ILE A 107 -1.760 6.904 1.132 1.00 45.33 C ATOM 1749 CD1 ILE A 107 -3.642 5.413 -0.759 1.00 11.30 C ATOM 0 H ILE A 107 -3.848 6.377 3.095 1.00 31.41 H new ATOM 0 HA ILE A 107 -3.081 9.052 2.302 1.00 72.40 H new ATOM 0 HB ILE A 107 -3.134 8.124 -0.016 1.00 34.03 H new ATOM 0 HG12 ILE A 107 -4.308 5.621 1.263 1.00 32.13 H new ATOM 0 HG13 ILE A 107 -5.110 6.690 0.130 1.00 32.13 H new ATOM 0 HG21 ILE A 107 -1.380 6.361 0.267 1.00 45.33 H new ATOM 0 HG22 ILE A 107 -1.100 7.743 1.352 1.00 45.33 H new ATOM 0 HG23 ILE A 107 -1.796 6.236 1.993 1.00 45.33 H new ATOM 0 HD11 ILE A 107 -4.371 4.633 -0.978 1.00 11.30 H new ATOM 0 HD12 ILE A 107 -3.506 6.040 -1.640 1.00 11.30 H new ATOM 0 HD13 ILE A 107 -2.691 4.955 -0.489 1.00 11.30 H new ATOM 1761 N SER A 108 -6.208 8.242 2.268 1.00 72.14 N ATOM 1762 CA SER A 108 -7.598 8.697 2.060 1.00 72.34 C ATOM 1763 C SER A 108 -8.374 8.431 3.361 1.00 20.13 C ATOM 1764 O SER A 108 -8.765 7.288 3.626 1.00 51.32 O ATOM 1765 CB SER A 108 -8.254 7.932 0.867 1.00 63.53 C ATOM 1766 OG SER A 108 -7.521 8.088 -0.344 1.00 53.41 O ATOM 0 H SER A 108 -6.140 7.416 2.862 1.00 72.14 H new ATOM 0 HA SER A 108 -7.616 9.759 1.816 1.00 72.34 H new ATOM 0 HB2 SER A 108 -8.324 6.872 1.113 1.00 63.53 H new ATOM 0 HB3 SER A 108 -9.272 8.294 0.722 1.00 63.53 H new ATOM 0 HG SER A 108 -7.966 7.592 -1.062 1.00 53.41 H new