USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=22 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 59 LYS NZ :NH3+ 143:sc= 1.76 (180deg=-0.106) USER MOD Set 1.2: A 69 TYR OH : rot -17:sc= 1.34 USER MOD Set 2.1: A 18 MET CE :methyl -162:sc= -1.02 (180deg=-1.51) USER MOD Set 2.2: A 60 SER OG : rot 76:sc= -0.145 USER MOD Single : A 15 THR OG1 : rot 91:sc= 0.027 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 74:sc= 0.37 USER MOD Single : A 29 TYR OH : rot 27:sc= 0.109 USER MOD Single : A 33 SER OG : rot 180:sc= 0.029 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.22 K(o=-0.18,f=-2.8!) USER MOD Single : A 47 HIS : no HE2:sc= 0.937 K(o=0.94,f=-2.9!) USER MOD Single : A 48 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.5!) USER MOD Single : A 56 CYS SG : rot 160:sc=-0.00153 USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.59 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 76 ASN : amide:sc= -0.081 X(o=-0.081,f=-0.21) USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= -0.0238 (180deg=-0.148) USER MOD Single : A 82 GLN : amide:sc= -0.533 K(o=-0.53,f=-3.1!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -38:sc= 0.118 USER MOD Single : A 97 THR OG1 : rot -73:sc= 1.09 USER MOD Single : A 98 GLN : amide:sc= -0.0751 K(o=-0.075,f=-2.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 166:sc= -0.0636 (180deg=-0.284) USER MOD Single : A 108 SER OG : rot 180:sc=-0.00345 USER MOD ----------------------------------------------------------------- ATOM 217 N ALA A 14 -3.312 17.045 3.907 1.00 64.11 N ATOM 218 CA ALA A 14 -3.147 15.672 4.384 1.00 34.22 C ATOM 219 C ALA A 14 -1.689 15.199 4.200 1.00 23.34 C ATOM 220 O ALA A 14 -1.165 14.508 5.061 1.00 55.24 O ATOM 221 CB ALA A 14 -4.105 14.738 3.618 1.00 61.10 C ATOM 0 HA ALA A 14 -3.384 15.642 5.447 1.00 34.22 H new ATOM 0 HB1 ALA A 14 -3.980 13.716 3.975 1.00 61.10 H new ATOM 0 HB2 ALA A 14 -5.134 15.057 3.784 1.00 61.10 H new ATOM 0 HB3 ALA A 14 -3.879 14.780 2.552 1.00 61.10 H new ATOM 227 N THR A 15 -1.044 15.682 3.106 1.00 14.01 N ATOM 228 CA THR A 15 0.211 15.131 2.536 1.00 60.03 C ATOM 229 C THR A 15 1.368 14.956 3.567 1.00 72.34 C ATOM 230 O THR A 15 2.075 13.949 3.526 1.00 22.04 O ATOM 231 CB THR A 15 0.686 16.022 1.334 1.00 3.13 C ATOM 232 OG1 THR A 15 -0.447 16.341 0.497 1.00 51.43 O ATOM 233 CG2 THR A 15 1.780 15.334 0.476 1.00 70.42 C ATOM 0 H THR A 15 -1.392 16.486 2.584 1.00 14.01 H new ATOM 0 HA THR A 15 -0.031 14.124 2.196 1.00 60.03 H new ATOM 0 HB THR A 15 1.123 16.927 1.754 1.00 3.13 H new ATOM 0 HG1 THR A 15 -0.851 17.181 0.800 1.00 51.43 H new ATOM 0 HG21 THR A 15 2.071 15.995 -0.341 1.00 70.42 H new ATOM 0 HG22 THR A 15 2.650 15.121 1.098 1.00 70.42 H new ATOM 0 HG23 THR A 15 1.389 14.402 0.067 1.00 70.42 H new ATOM 241 N ALA A 16 1.531 15.925 4.490 1.00 44.41 N ATOM 242 CA ALA A 16 2.598 15.879 5.523 1.00 41.52 C ATOM 243 C ALA A 16 2.343 14.736 6.540 1.00 41.42 C ATOM 244 O ALA A 16 3.178 13.819 6.699 1.00 0.43 O ATOM 245 CB ALA A 16 2.691 17.237 6.239 1.00 13.04 C ATOM 0 H ALA A 16 0.938 16.753 4.545 1.00 44.41 H new ATOM 0 HA ALA A 16 3.549 15.674 5.030 1.00 41.52 H new ATOM 0 HB1 ALA A 16 3.475 17.197 6.995 1.00 13.04 H new ATOM 0 HB2 ALA A 16 2.926 18.016 5.513 1.00 13.04 H new ATOM 0 HB3 ALA A 16 1.738 17.463 6.717 1.00 13.04 H new ATOM 251 N GLN A 17 1.155 14.795 7.181 1.00 24.52 N ATOM 252 CA GLN A 17 0.692 13.790 8.172 1.00 41.33 C ATOM 253 C GLN A 17 0.702 12.380 7.546 1.00 51.34 C ATOM 254 O GLN A 17 1.131 11.399 8.163 1.00 23.31 O ATOM 255 CB GLN A 17 -0.752 14.137 8.642 1.00 14.21 C ATOM 256 CG GLN A 17 -0.948 15.570 9.195 1.00 45.33 C ATOM 257 CD GLN A 17 -2.406 15.894 9.561 1.00 51.33 C ATOM 258 OE1 GLN A 17 -3.180 15.014 9.954 1.00 2.13 O ATOM 259 NE2 GLN A 17 -2.799 17.155 9.423 1.00 63.13 N ATOM 0 H GLN A 17 0.483 15.546 7.026 1.00 24.52 H new ATOM 0 HA GLN A 17 1.367 13.806 9.027 1.00 41.33 H new ATOM 0 HB2 GLN A 17 -1.432 13.994 7.803 1.00 14.21 H new ATOM 0 HB3 GLN A 17 -1.045 13.425 9.414 1.00 14.21 H new ATOM 0 HG2 GLN A 17 -0.323 15.698 10.079 1.00 45.33 H new ATOM 0 HG3 GLN A 17 -0.600 16.288 8.452 1.00 45.33 H new ATOM 0 HE21 GLN A 17 -2.140 17.862 9.097 1.00 63.13 H new ATOM 0 HE22 GLN A 17 -3.760 17.417 9.643 1.00 63.13 H new ATOM 268 N MET A 18 0.248 12.346 6.284 1.00 74.51 N ATOM 269 CA MET A 18 0.153 11.148 5.444 1.00 3.05 C ATOM 270 C MET A 18 1.541 10.536 5.212 1.00 63.23 C ATOM 271 O MET A 18 1.719 9.332 5.356 1.00 42.22 O ATOM 272 CB MET A 18 -0.464 11.543 4.078 1.00 51.35 C ATOM 273 CG MET A 18 -0.620 10.400 3.077 1.00 33.11 C ATOM 274 SD MET A 18 -0.966 10.990 1.412 1.00 40.44 S ATOM 275 CE MET A 18 0.630 11.662 0.967 1.00 2.51 C ATOM 0 H MET A 18 -0.075 13.186 5.804 1.00 74.51 H new ATOM 0 HA MET A 18 -0.473 10.411 5.947 1.00 3.05 H new ATOM 0 HB2 MET A 18 -1.444 11.985 4.255 1.00 51.35 H new ATOM 0 HB3 MET A 18 0.158 12.316 3.627 1.00 51.35 H new ATOM 0 HG2 MET A 18 0.292 9.803 3.066 1.00 33.11 H new ATOM 0 HG3 MET A 18 -1.427 9.743 3.402 1.00 33.11 H new ATOM 0 HE1 MET A 18 0.517 12.339 0.120 1.00 2.51 H new ATOM 0 HE2 MET A 18 1.044 12.208 1.815 1.00 2.51 H new ATOM 0 HE3 MET A 18 1.304 10.850 0.695 1.00 2.51 H new ATOM 285 N GLU A 19 2.503 11.405 4.853 1.00 63.32 N ATOM 286 CA GLU A 19 3.899 11.027 4.573 1.00 14.12 C ATOM 287 C GLU A 19 4.533 10.362 5.797 1.00 61.01 C ATOM 288 O GLU A 19 5.203 9.334 5.675 1.00 52.13 O ATOM 289 CB GLU A 19 4.709 12.291 4.181 1.00 3.41 C ATOM 290 CG GLU A 19 6.206 12.055 3.893 1.00 55.13 C ATOM 291 CD GLU A 19 7.009 13.358 3.716 1.00 74.12 C ATOM 292 OE1 GLU A 19 6.621 14.199 2.876 1.00 64.43 O ATOM 293 OE2 GLU A 19 8.052 13.532 4.401 1.00 33.21 O ATOM 0 H GLU A 19 2.329 12.405 4.748 1.00 63.32 H new ATOM 0 HA GLU A 19 3.912 10.315 3.748 1.00 14.12 H new ATOM 0 HB2 GLU A 19 4.252 12.735 3.297 1.00 3.41 H new ATOM 0 HB3 GLU A 19 4.622 13.021 4.985 1.00 3.41 H new ATOM 0 HG2 GLU A 19 6.639 11.479 4.711 1.00 55.13 H new ATOM 0 HG3 GLU A 19 6.304 11.451 2.991 1.00 55.13 H new ATOM 300 N GLU A 20 4.286 10.967 6.974 1.00 1.10 N ATOM 301 CA GLU A 20 4.792 10.460 8.263 1.00 23.42 C ATOM 302 C GLU A 20 4.186 9.071 8.587 1.00 72.34 C ATOM 303 O GLU A 20 4.918 8.114 8.906 1.00 74.15 O ATOM 304 CB GLU A 20 4.493 11.489 9.385 1.00 31.32 C ATOM 305 CG GLU A 20 5.075 12.904 9.119 1.00 73.41 C ATOM 306 CD GLU A 20 4.689 13.956 10.180 1.00 55.14 C ATOM 307 OE1 GLU A 20 3.505 14.011 10.578 1.00 10.40 O ATOM 308 OE2 GLU A 20 5.565 14.750 10.601 1.00 44.41 O ATOM 0 H GLU A 20 3.731 11.819 7.058 1.00 1.10 H new ATOM 0 HA GLU A 20 5.872 10.331 8.195 1.00 23.42 H new ATOM 0 HB2 GLU A 20 3.413 11.570 9.511 1.00 31.32 H new ATOM 0 HB3 GLU A 20 4.896 11.113 10.325 1.00 31.32 H new ATOM 0 HG2 GLU A 20 6.162 12.835 9.071 1.00 73.41 H new ATOM 0 HG3 GLU A 20 4.734 13.247 8.142 1.00 73.41 H new ATOM 315 N LYS A 21 2.851 8.949 8.429 1.00 15.05 N ATOM 316 CA LYS A 21 2.145 7.668 8.637 1.00 73.24 C ATOM 317 C LYS A 21 2.646 6.594 7.647 1.00 12.14 C ATOM 318 O LYS A 21 2.791 5.434 8.017 1.00 21.23 O ATOM 319 CB LYS A 21 0.608 7.850 8.488 1.00 14.31 C ATOM 320 CG LYS A 21 -0.053 8.763 9.545 1.00 53.14 C ATOM 321 CD LYS A 21 0.132 8.250 10.994 1.00 40.44 C ATOM 322 CE LYS A 21 -0.509 9.182 12.037 1.00 1.32 C ATOM 323 NZ LYS A 21 -0.281 8.697 13.428 1.00 61.31 N ATOM 0 H LYS A 21 2.242 9.721 8.159 1.00 15.05 H new ATOM 0 HA LYS A 21 2.360 7.334 9.652 1.00 73.24 H new ATOM 0 HB2 LYS A 21 0.401 8.258 7.499 1.00 14.31 H new ATOM 0 HB3 LYS A 21 0.136 6.868 8.533 1.00 14.31 H new ATOM 0 HG2 LYS A 21 0.368 9.765 9.465 1.00 53.14 H new ATOM 0 HG3 LYS A 21 -1.118 8.846 9.329 1.00 53.14 H new ATOM 0 HD2 LYS A 21 -0.306 7.256 11.082 1.00 40.44 H new ATOM 0 HD3 LYS A 21 1.196 8.150 11.207 1.00 40.44 H new ATOM 0 HE2 LYS A 21 -0.097 10.185 11.930 1.00 1.32 H new ATOM 0 HE3 LYS A 21 -1.580 9.256 11.849 1.00 1.32 H new ATOM 0 HZ1 LYS A 21 -0.728 9.351 14.101 1.00 61.31 H new ATOM 0 HZ2 LYS A 21 -0.696 7.750 13.538 1.00 61.31 H new ATOM 0 HZ3 LYS A 21 0.741 8.651 13.616 1.00 61.31 H new ATOM 337 N LEU A 22 2.942 7.016 6.405 1.00 73.43 N ATOM 338 CA LEU A 22 3.336 6.107 5.318 1.00 61.04 C ATOM 339 C LEU A 22 4.752 5.554 5.588 1.00 4.35 C ATOM 340 O LEU A 22 4.955 4.336 5.527 1.00 42.33 O ATOM 341 CB LEU A 22 3.234 6.844 3.943 1.00 51.00 C ATOM 342 CG LEU A 22 3.004 5.973 2.659 1.00 65.51 C ATOM 343 CD1 LEU A 22 2.746 6.869 1.430 1.00 51.12 C ATOM 344 CD2 LEU A 22 4.173 5.010 2.384 1.00 11.43 C ATOM 0 H LEU A 22 2.914 7.997 6.128 1.00 73.43 H new ATOM 0 HA LEU A 22 2.656 5.256 5.278 1.00 61.04 H new ATOM 0 HB2 LEU A 22 2.418 7.564 4.009 1.00 51.00 H new ATOM 0 HB3 LEU A 22 4.152 7.414 3.800 1.00 51.00 H new ATOM 0 HG LEU A 22 2.121 5.363 2.846 1.00 65.51 H new ATOM 0 HD11 LEU A 22 2.589 6.244 0.551 1.00 51.12 H new ATOM 0 HD12 LEU A 22 1.860 7.479 1.604 1.00 51.12 H new ATOM 0 HD13 LEU A 22 3.607 7.517 1.265 1.00 51.12 H new ATOM 0 HD21 LEU A 22 3.963 4.431 1.485 1.00 11.43 H new ATOM 0 HD22 LEU A 22 5.090 5.582 2.242 1.00 11.43 H new ATOM 0 HD23 LEU A 22 4.295 4.334 3.231 1.00 11.43 H new ATOM 356 N ARG A 23 5.720 6.446 5.915 1.00 41.23 N ATOM 357 CA ARG A 23 7.101 6.020 6.211 1.00 34.15 C ATOM 358 C ARG A 23 7.133 5.103 7.446 1.00 23.25 C ATOM 359 O ARG A 23 7.811 4.084 7.423 1.00 71.14 O ATOM 360 CB ARG A 23 8.090 7.227 6.388 1.00 3.54 C ATOM 361 CG ARG A 23 7.695 8.249 7.477 1.00 71.35 C ATOM 362 CD ARG A 23 8.802 9.258 7.853 1.00 61.40 C ATOM 363 NE ARG A 23 9.813 8.673 8.756 1.00 14.22 N ATOM 364 CZ ARG A 23 10.851 9.342 9.297 1.00 1.32 C ATOM 365 NH1 ARG A 23 11.062 10.635 9.034 1.00 55.03 N ATOM 366 NH2 ARG A 23 11.652 8.715 10.152 1.00 24.24 N ATOM 0 H ARG A 23 5.568 7.453 5.979 1.00 41.23 H new ATOM 0 HA ARG A 23 7.448 5.460 5.343 1.00 34.15 H new ATOM 0 HB2 ARG A 23 9.079 6.834 6.624 1.00 3.54 H new ATOM 0 HB3 ARG A 23 8.173 7.750 5.435 1.00 3.54 H new ATOM 0 HG2 ARG A 23 6.820 8.802 7.136 1.00 71.35 H new ATOM 0 HG3 ARG A 23 7.399 7.706 8.374 1.00 71.35 H new ATOM 0 HD2 ARG A 23 9.291 9.612 6.945 1.00 61.40 H new ATOM 0 HD3 ARG A 23 8.351 10.127 8.332 1.00 61.40 H new ATOM 0 HE ARG A 23 9.719 7.684 8.989 1.00 14.22 H new ATOM 0 HH11 ARG A 23 10.430 11.138 8.411 1.00 55.03 H new ATOM 0 HH12 ARG A 23 11.855 11.119 9.456 1.00 55.03 H new ATOM 0 HH21 ARG A 23 11.478 7.739 10.392 1.00 24.24 H new ATOM 0 HH22 ARG A 23 12.441 9.210 10.568 1.00 24.24 H new ATOM 380 N ASP A 24 6.347 5.441 8.493 1.00 51.24 N ATOM 381 CA ASP A 24 6.300 4.638 9.741 1.00 52.05 C ATOM 382 C ASP A 24 5.463 3.334 9.597 1.00 73.44 C ATOM 383 O ASP A 24 5.622 2.402 10.398 1.00 3.30 O ATOM 384 CB ASP A 24 5.810 5.517 10.921 1.00 64.43 C ATOM 385 CG ASP A 24 6.913 6.477 11.434 1.00 3.34 C ATOM 386 OD1 ASP A 24 7.058 7.594 10.894 1.00 1.11 O ATOM 387 OD2 ASP A 24 7.667 6.092 12.367 1.00 30.45 O ATOM 0 H ASP A 24 5.739 6.260 8.501 1.00 51.24 H new ATOM 0 HA ASP A 24 7.316 4.305 9.954 1.00 52.05 H new ATOM 0 HB2 ASP A 24 4.944 6.098 10.604 1.00 64.43 H new ATOM 0 HB3 ASP A 24 5.481 4.875 11.738 1.00 64.43 H new ATOM 392 N PHE A 25 4.569 3.286 8.589 1.00 51.02 N ATOM 393 CA PHE A 25 3.877 2.044 8.146 1.00 14.52 C ATOM 394 C PHE A 25 4.911 1.087 7.523 1.00 33.14 C ATOM 395 O PHE A 25 5.124 -0.033 7.998 1.00 55.25 O ATOM 396 CB PHE A 25 2.759 2.438 7.117 1.00 64.51 C ATOM 397 CG PHE A 25 2.162 1.319 6.255 1.00 64.42 C ATOM 398 CD1 PHE A 25 1.167 0.479 6.750 1.00 21.01 C ATOM 399 CD2 PHE A 25 2.583 1.134 4.931 1.00 31.44 C ATOM 400 CE1 PHE A 25 0.620 -0.509 5.953 1.00 63.05 C ATOM 401 CE2 PHE A 25 2.037 0.145 4.142 1.00 41.35 C ATOM 402 CZ PHE A 25 1.056 -0.675 4.651 1.00 21.31 C ATOM 0 H PHE A 25 4.300 4.110 8.051 1.00 51.02 H new ATOM 0 HA PHE A 25 3.410 1.532 8.987 1.00 14.52 H new ATOM 0 HB2 PHE A 25 1.945 2.908 7.669 1.00 64.51 H new ATOM 0 HB3 PHE A 25 3.169 3.195 6.448 1.00 64.51 H new ATOM 0 HD1 PHE A 25 0.820 0.601 7.765 1.00 21.01 H new ATOM 0 HD2 PHE A 25 3.348 1.777 4.522 1.00 31.44 H new ATOM 0 HE1 PHE A 25 -0.151 -1.154 6.348 1.00 63.05 H new ATOM 0 HE2 PHE A 25 2.378 0.014 3.126 1.00 41.35 H new ATOM 0 HZ PHE A 25 0.626 -1.449 4.033 1.00 21.31 H new ATOM 412 N THR A 26 5.594 1.610 6.507 1.00 73.40 N ATOM 413 CA THR A 26 6.542 0.877 5.655 1.00 42.33 C ATOM 414 C THR A 26 7.850 0.509 6.416 1.00 2.32 C ATOM 415 O THR A 26 8.531 -0.466 6.069 1.00 75.30 O ATOM 416 CB THR A 26 6.834 1.777 4.408 1.00 3.10 C ATOM 417 OG1 THR A 26 5.594 2.093 3.749 1.00 32.04 O ATOM 418 CG2 THR A 26 7.773 1.135 3.394 1.00 54.32 C ATOM 0 H THR A 26 5.503 2.590 6.241 1.00 73.40 H new ATOM 0 HA THR A 26 6.108 -0.074 5.347 1.00 42.33 H new ATOM 0 HB THR A 26 7.331 2.671 4.784 1.00 3.10 H new ATOM 0 HG1 THR A 26 5.104 2.758 4.276 1.00 32.04 H new ATOM 0 HG21 THR A 26 7.928 1.818 2.558 1.00 54.32 H new ATOM 0 HG22 THR A 26 8.730 0.920 3.869 1.00 54.32 H new ATOM 0 HG23 THR A 26 7.334 0.207 3.028 1.00 54.32 H new ATOM 426 N ARG A 27 8.161 1.301 7.464 1.00 3.41 N ATOM 427 CA ARG A 27 9.364 1.136 8.327 1.00 45.41 C ATOM 428 C ARG A 27 9.405 -0.268 8.984 1.00 20.23 C ATOM 429 O ARG A 27 10.478 -0.855 9.143 1.00 34.40 O ATOM 430 CB ARG A 27 9.366 2.272 9.423 1.00 74.25 C ATOM 431 CG ARG A 27 10.760 2.793 9.918 1.00 52.53 C ATOM 432 CD ARG A 27 11.179 2.269 11.307 1.00 64.34 C ATOM 433 NE ARG A 27 11.478 0.834 11.317 1.00 53.54 N ATOM 434 CZ ARG A 27 11.767 0.109 12.412 1.00 35.20 C ATOM 435 NH1 ARG A 27 11.804 0.671 13.626 1.00 24.11 N ATOM 436 NH2 ARG A 27 12.039 -1.180 12.275 1.00 43.12 N ATOM 0 H ARG A 27 7.577 2.089 7.744 1.00 3.41 H new ATOM 0 HA ARG A 27 10.258 1.222 7.709 1.00 45.41 H new ATOM 0 HB2 ARG A 27 8.809 3.122 9.029 1.00 74.25 H new ATOM 0 HB3 ARG A 27 8.816 1.905 10.290 1.00 74.25 H new ATOM 0 HG2 ARG A 27 11.520 2.507 9.191 1.00 52.53 H new ATOM 0 HG3 ARG A 27 10.738 3.882 9.945 1.00 52.53 H new ATOM 0 HD2 ARG A 27 12.057 2.819 11.646 1.00 64.34 H new ATOM 0 HD3 ARG A 27 10.381 2.472 12.021 1.00 64.34 H new ATOM 0 HE ARG A 27 11.466 0.346 10.421 1.00 53.54 H new ATOM 0 HH11 ARG A 27 11.611 1.667 13.733 1.00 24.11 H new ATOM 0 HH12 ARG A 27 12.025 0.104 14.444 1.00 24.11 H new ATOM 0 HH21 ARG A 27 12.027 -1.608 11.349 1.00 43.12 H new ATOM 0 HH22 ARG A 27 12.260 -1.745 13.095 1.00 43.12 H new ATOM 450 N ALA A 28 8.215 -0.790 9.333 1.00 53.01 N ATOM 451 CA ALA A 28 8.049 -2.030 10.121 1.00 52.11 C ATOM 452 C ALA A 28 8.467 -3.298 9.340 1.00 34.05 C ATOM 453 O ALA A 28 9.291 -4.100 9.807 1.00 54.31 O ATOM 454 CB ALA A 28 6.578 -2.120 10.560 1.00 44.24 C ATOM 0 H ALA A 28 7.328 -0.358 9.073 1.00 53.01 H new ATOM 0 HA ALA A 28 8.710 -1.984 10.987 1.00 52.11 H new ATOM 0 HB1 ALA A 28 6.428 -3.028 11.144 1.00 44.24 H new ATOM 0 HB2 ALA A 28 6.326 -1.251 11.168 1.00 44.24 H new ATOM 0 HB3 ALA A 28 5.936 -2.145 9.679 1.00 44.24 H new ATOM 460 N TYR A 29 7.896 -3.442 8.139 1.00 44.42 N ATOM 461 CA TYR A 29 8.020 -4.649 7.292 1.00 72.32 C ATOM 462 C TYR A 29 8.421 -4.226 5.873 1.00 3.42 C ATOM 463 O TYR A 29 7.616 -3.656 5.127 1.00 35.32 O ATOM 464 CB TYR A 29 6.695 -5.497 7.295 1.00 15.04 C ATOM 465 CG TYR A 29 5.403 -4.710 7.610 1.00 31.21 C ATOM 466 CD1 TYR A 29 5.090 -3.523 6.935 1.00 24.40 C ATOM 467 CD2 TYR A 29 4.512 -5.150 8.589 1.00 72.25 C ATOM 468 CE1 TYR A 29 3.946 -2.808 7.237 1.00 32.53 C ATOM 469 CE2 TYR A 29 3.364 -4.443 8.887 1.00 75.41 C ATOM 470 CZ TYR A 29 3.085 -3.273 8.215 1.00 2.13 C ATOM 471 OH TYR A 29 1.940 -2.560 8.530 1.00 10.32 O ATOM 0 H TYR A 29 7.323 -2.713 7.714 1.00 44.42 H new ATOM 0 HA TYR A 29 8.797 -5.295 7.702 1.00 72.32 H new ATOM 0 HB2 TYR A 29 6.584 -5.968 6.319 1.00 15.04 H new ATOM 0 HB3 TYR A 29 6.799 -6.299 8.026 1.00 15.04 H new ATOM 0 HD1 TYR A 29 5.754 -3.160 6.165 1.00 24.40 H new ATOM 0 HD2 TYR A 29 4.725 -6.063 9.125 1.00 72.25 H new ATOM 0 HE1 TYR A 29 3.725 -1.890 6.712 1.00 32.53 H new ATOM 0 HE2 TYR A 29 2.686 -4.806 9.645 1.00 75.41 H new ATOM 0 HH TYR A 29 1.654 -2.040 7.750 1.00 10.32 H new ATOM 481 N GLU A 30 9.676 -4.504 5.519 1.00 1.43 N ATOM 482 CA GLU A 30 10.283 -4.063 4.253 1.00 21.22 C ATOM 483 C GLU A 30 9.960 -5.082 3.119 1.00 14.13 C ATOM 484 O GLU A 30 9.716 -6.260 3.421 1.00 5.31 O ATOM 485 CB GLU A 30 11.809 -3.857 4.492 1.00 61.32 C ATOM 486 CG GLU A 30 12.129 -2.854 5.634 1.00 62.54 C ATOM 487 CD GLU A 30 13.609 -2.433 5.703 1.00 33.10 C ATOM 488 OE1 GLU A 30 14.093 -1.813 4.720 1.00 24.31 O ATOM 489 OE2 GLU A 30 14.280 -2.667 6.739 1.00 40.21 O ATOM 0 H GLU A 30 10.310 -5.047 6.106 1.00 1.43 H new ATOM 0 HA GLU A 30 9.867 -3.112 3.922 1.00 21.22 H new ATOM 0 HB2 GLU A 30 12.265 -4.819 4.726 1.00 61.32 H new ATOM 0 HB3 GLU A 30 12.268 -3.503 3.569 1.00 61.32 H new ATOM 0 HG2 GLU A 30 11.514 -1.963 5.504 1.00 62.54 H new ATOM 0 HG3 GLU A 30 11.845 -3.301 6.586 1.00 62.54 H new ATOM 496 N PRO A 31 9.975 -4.669 1.791 1.00 23.10 N ATOM 497 CA PRO A 31 9.341 -5.466 0.690 1.00 63.30 C ATOM 498 C PRO A 31 10.099 -6.768 0.360 1.00 61.23 C ATOM 499 O PRO A 31 9.502 -7.705 -0.165 1.00 34.41 O ATOM 500 CB PRO A 31 9.344 -4.483 -0.505 1.00 31.02 C ATOM 501 CG PRO A 31 10.545 -3.612 -0.272 1.00 43.04 C ATOM 502 CD PRO A 31 10.651 -3.444 1.236 1.00 12.24 C ATOM 0 HA PRO A 31 8.346 -5.816 0.964 1.00 63.30 H new ATOM 0 HB2 PRO A 31 9.416 -5.013 -1.455 1.00 31.02 H new ATOM 0 HB3 PRO A 31 8.427 -3.895 -0.537 1.00 31.02 H new ATOM 0 HG2 PRO A 31 11.446 -4.072 -0.678 1.00 43.04 H new ATOM 0 HG3 PRO A 31 10.429 -2.647 -0.765 1.00 43.04 H new ATOM 0 HD2 PRO A 31 11.691 -3.382 1.558 1.00 12.24 H new ATOM 0 HD3 PRO A 31 10.159 -2.531 1.571 1.00 12.24 H new ATOM 510 N ASP A 32 11.403 -6.787 0.712 1.00 31.14 N ATOM 511 CA ASP A 32 12.341 -7.909 0.472 1.00 42.53 C ATOM 512 C ASP A 32 11.768 -9.275 0.925 1.00 1.40 C ATOM 513 O ASP A 32 11.659 -10.216 0.122 1.00 14.11 O ATOM 514 CB ASP A 32 13.665 -7.608 1.234 1.00 34.32 C ATOM 515 CG ASP A 32 14.817 -8.596 0.942 1.00 51.50 C ATOM 516 OD1 ASP A 32 14.849 -9.695 1.541 1.00 21.13 O ATOM 517 OD2 ASP A 32 15.716 -8.261 0.125 1.00 73.23 O ATOM 0 H ASP A 32 11.847 -6.000 1.185 1.00 31.14 H new ATOM 0 HA ASP A 32 12.514 -7.987 -0.601 1.00 42.53 H new ATOM 0 HB2 ASP A 32 13.995 -6.601 0.978 1.00 34.32 H new ATOM 0 HB3 ASP A 32 13.462 -7.615 2.305 1.00 34.32 H new ATOM 522 N SER A 33 11.379 -9.336 2.211 1.00 51.31 N ATOM 523 CA SER A 33 10.983 -10.584 2.890 1.00 22.11 C ATOM 524 C SER A 33 9.577 -10.432 3.545 1.00 64.12 C ATOM 525 O SER A 33 8.722 -9.776 2.951 1.00 21.20 O ATOM 526 CB SER A 33 12.105 -10.966 3.894 1.00 42.42 C ATOM 527 OG SER A 33 11.926 -12.276 4.417 1.00 3.14 O ATOM 0 H SER A 33 11.330 -8.514 2.813 1.00 51.31 H new ATOM 0 HA SER A 33 10.879 -11.403 2.178 1.00 22.11 H new ATOM 0 HB2 SER A 33 13.073 -10.903 3.397 1.00 42.42 H new ATOM 0 HB3 SER A 33 12.119 -10.247 4.713 1.00 42.42 H new ATOM 0 HG SER A 33 12.652 -12.480 5.043 1.00 3.14 H new ATOM 533 N VAL A 34 9.388 -10.995 4.781 1.00 51.53 N ATOM 534 CA VAL A 34 8.086 -11.344 5.419 1.00 62.14 C ATOM 535 C VAL A 34 7.712 -12.786 5.029 1.00 5.23 C ATOM 536 O VAL A 34 7.711 -13.132 3.845 1.00 60.12 O ATOM 537 CB VAL A 34 6.879 -10.329 5.198 1.00 62.00 C ATOM 538 CG1 VAL A 34 5.547 -10.873 5.787 1.00 30.33 C ATOM 539 CG2 VAL A 34 7.208 -8.955 5.826 1.00 24.33 C ATOM 0 H VAL A 34 10.179 -11.226 5.382 1.00 51.53 H new ATOM 0 HA VAL A 34 8.253 -11.259 6.493 1.00 62.14 H new ATOM 0 HB VAL A 34 6.746 -10.214 4.122 1.00 62.00 H new ATOM 0 HG11 VAL A 34 4.750 -10.149 5.614 1.00 30.33 H new ATOM 0 HG12 VAL A 34 5.293 -11.815 5.302 1.00 30.33 H new ATOM 0 HG13 VAL A 34 5.663 -11.036 6.858 1.00 30.33 H new ATOM 0 HG21 VAL A 34 6.373 -8.273 5.666 1.00 24.33 H new ATOM 0 HG22 VAL A 34 7.379 -9.075 6.896 1.00 24.33 H new ATOM 0 HG23 VAL A 34 8.104 -8.547 5.359 1.00 24.33 H new ATOM 549 N LEU A 35 7.397 -13.598 6.065 1.00 54.40 N ATOM 550 CA LEU A 35 7.269 -15.076 5.995 1.00 40.51 C ATOM 551 C LEU A 35 6.332 -15.542 4.836 1.00 40.22 C ATOM 552 O LEU A 35 5.225 -15.016 4.723 1.00 43.21 O ATOM 553 CB LEU A 35 6.752 -15.594 7.372 1.00 12.15 C ATOM 554 CG LEU A 35 7.103 -17.069 7.733 1.00 14.52 C ATOM 555 CD1 LEU A 35 8.631 -17.276 7.845 1.00 73.13 C ATOM 556 CD2 LEU A 35 6.398 -17.505 9.025 1.00 5.42 C ATOM 0 H LEU A 35 7.219 -13.234 7.001 1.00 54.40 H new ATOM 0 HA LEU A 35 8.250 -15.499 5.777 1.00 40.51 H new ATOM 0 HB2 LEU A 35 7.152 -14.947 8.153 1.00 12.15 H new ATOM 0 HB3 LEU A 35 5.668 -15.486 7.393 1.00 12.15 H new ATOM 0 HG LEU A 35 6.741 -17.698 6.920 1.00 14.52 H new ATOM 0 HD11 LEU A 35 8.840 -18.316 8.098 1.00 73.13 H new ATOM 0 HD12 LEU A 35 9.102 -17.033 6.893 1.00 73.13 H new ATOM 0 HD13 LEU A 35 9.030 -16.626 8.624 1.00 73.13 H new ATOM 0 HD21 LEU A 35 6.661 -18.538 9.252 1.00 5.42 H new ATOM 0 HD22 LEU A 35 6.713 -16.861 9.846 1.00 5.42 H new ATOM 0 HD23 LEU A 35 5.319 -17.426 8.895 1.00 5.42 H new ATOM 568 N PRO A 36 6.769 -16.532 3.964 1.00 31.02 N ATOM 569 CA PRO A 36 6.041 -16.916 2.712 1.00 72.54 C ATOM 570 C PRO A 36 4.563 -17.300 2.962 1.00 12.15 C ATOM 571 O PRO A 36 4.263 -18.360 3.521 1.00 63.11 O ATOM 572 CB PRO A 36 6.877 -18.107 2.156 1.00 61.13 C ATOM 573 CG PRO A 36 8.243 -17.907 2.746 1.00 40.25 C ATOM 574 CD PRO A 36 7.986 -17.377 4.139 1.00 15.22 C ATOM 0 HA PRO A 36 5.967 -16.086 2.009 1.00 72.54 H new ATOM 0 HB2 PRO A 36 6.451 -19.065 2.454 1.00 61.13 H new ATOM 0 HB3 PRO A 36 6.909 -18.097 1.067 1.00 61.13 H new ATOM 0 HG2 PRO A 36 8.802 -18.842 2.775 1.00 40.25 H new ATOM 0 HG3 PRO A 36 8.830 -17.203 2.156 1.00 40.25 H new ATOM 0 HD2 PRO A 36 7.817 -18.184 4.852 1.00 15.22 H new ATOM 0 HD3 PRO A 36 8.830 -16.796 4.510 1.00 15.22 H new ATOM 582 N LEU A 37 3.657 -16.380 2.571 1.00 20.12 N ATOM 583 CA LEU A 37 2.204 -16.519 2.774 1.00 35.31 C ATOM 584 C LEU A 37 1.622 -17.497 1.728 1.00 44.13 C ATOM 585 O LEU A 37 0.737 -18.297 2.034 1.00 52.12 O ATOM 586 CB LEU A 37 1.503 -15.129 2.706 1.00 22.31 C ATOM 587 CG LEU A 37 2.120 -13.971 3.587 1.00 32.54 C ATOM 588 CD1 LEU A 37 3.228 -13.188 2.832 1.00 41.15 C ATOM 589 CD2 LEU A 37 1.029 -13.015 4.096 1.00 14.22 C ATOM 0 H LEU A 37 3.918 -15.513 2.102 1.00 20.12 H new ATOM 0 HA LEU A 37 2.019 -16.928 3.767 1.00 35.31 H new ATOM 0 HB2 LEU A 37 1.502 -14.800 1.667 1.00 22.31 H new ATOM 0 HB3 LEU A 37 0.462 -15.260 3.000 1.00 22.31 H new ATOM 0 HG LEU A 37 2.587 -14.447 4.449 1.00 32.54 H new ATOM 0 HD11 LEU A 37 3.622 -12.403 3.477 1.00 41.15 H new ATOM 0 HD12 LEU A 37 4.033 -13.870 2.557 1.00 41.15 H new ATOM 0 HD13 LEU A 37 2.808 -12.741 1.931 1.00 41.15 H new ATOM 0 HD21 LEU A 37 1.486 -12.230 4.699 1.00 14.22 H new ATOM 0 HD22 LEU A 37 0.513 -12.567 3.247 1.00 14.22 H new ATOM 0 HD23 LEU A 37 0.314 -13.569 4.704 1.00 14.22 H new ATOM 601 N ALA A 38 2.125 -17.397 0.485 1.00 73.44 N ATOM 602 CA ALA A 38 1.905 -18.414 -0.575 1.00 1.01 C ATOM 603 C ALA A 38 3.096 -18.425 -1.563 1.00 74.52 C ATOM 604 O ALA A 38 3.020 -19.070 -2.614 1.00 73.15 O ATOM 605 CB ALA A 38 0.575 -18.172 -1.315 1.00 1.41 C ATOM 0 H ALA A 38 2.697 -16.610 0.180 1.00 73.44 H new ATOM 0 HA ALA A 38 1.841 -19.393 -0.100 1.00 1.01 H new ATOM 0 HB1 ALA A 38 0.443 -18.933 -2.084 1.00 1.41 H new ATOM 0 HB2 ALA A 38 -0.251 -18.226 -0.606 1.00 1.41 H new ATOM 0 HB3 ALA A 38 0.591 -17.186 -1.779 1.00 1.41 H new ATOM 611 N ASP A 39 4.182 -17.708 -1.185 1.00 14.31 N ATOM 612 CA ASP A 39 5.440 -17.548 -1.965 1.00 43.21 C ATOM 613 C ASP A 39 5.226 -16.861 -3.339 1.00 21.21 C ATOM 614 O ASP A 39 5.707 -15.746 -3.561 1.00 73.31 O ATOM 615 CB ASP A 39 6.209 -18.895 -2.119 1.00 24.33 C ATOM 616 CG ASP A 39 7.644 -18.692 -2.657 1.00 14.22 C ATOM 617 OD1 ASP A 39 8.537 -18.329 -1.856 1.00 42.30 O ATOM 618 OD2 ASP A 39 7.876 -18.863 -3.878 1.00 24.22 O ATOM 0 H ASP A 39 4.210 -17.206 -0.297 1.00 14.31 H new ATOM 0 HA ASP A 39 6.064 -16.874 -1.378 1.00 43.21 H new ATOM 0 HB2 ASP A 39 6.253 -19.398 -1.153 1.00 24.33 H new ATOM 0 HB3 ASP A 39 5.659 -19.550 -2.795 1.00 24.33 H new ATOM 623 N GLY A 40 4.539 -17.562 -4.257 1.00 21.42 N ATOM 624 CA GLY A 40 4.193 -17.028 -5.579 1.00 52.13 C ATOM 625 C GLY A 40 3.379 -15.728 -5.534 1.00 14.32 C ATOM 626 O GLY A 40 3.932 -14.645 -5.755 1.00 5.32 O ATOM 0 H GLY A 40 4.209 -18.514 -4.100 1.00 21.42 H new ATOM 0 HA2 GLY A 40 5.111 -16.850 -6.139 1.00 52.13 H new ATOM 0 HA3 GLY A 40 3.626 -17.781 -6.126 1.00 52.13 H new ATOM 630 N VAL A 41 2.067 -15.823 -5.218 1.00 74.45 N ATOM 631 CA VAL A 41 1.157 -14.665 -5.322 1.00 43.44 C ATOM 632 C VAL A 41 1.228 -13.707 -4.099 1.00 5.42 C ATOM 633 O VAL A 41 1.646 -12.553 -4.249 1.00 22.11 O ATOM 634 CB VAL A 41 -0.330 -15.101 -5.637 1.00 1.03 C ATOM 635 CG1 VAL A 41 -0.928 -16.046 -4.573 1.00 33.14 C ATOM 636 CG2 VAL A 41 -1.233 -13.868 -5.888 1.00 41.21 C ATOM 0 H VAL A 41 1.621 -16.681 -4.893 1.00 74.45 H new ATOM 0 HA VAL A 41 1.518 -14.089 -6.174 1.00 43.44 H new ATOM 0 HB VAL A 41 -0.292 -15.683 -6.558 1.00 1.03 H new ATOM 0 HG11 VAL A 41 -1.950 -16.306 -4.850 1.00 33.14 H new ATOM 0 HG12 VAL A 41 -0.326 -16.953 -4.512 1.00 33.14 H new ATOM 0 HG13 VAL A 41 -0.931 -15.547 -3.604 1.00 33.14 H new ATOM 0 HG21 VAL A 41 -2.249 -14.199 -6.102 1.00 41.21 H new ATOM 0 HG22 VAL A 41 -1.237 -13.233 -5.002 1.00 41.21 H new ATOM 0 HG23 VAL A 41 -0.849 -13.303 -6.737 1.00 41.21 H new ATOM 646 N LEU A 42 0.894 -14.199 -2.886 1.00 14.30 N ATOM 647 CA LEU A 42 0.660 -13.337 -1.697 1.00 54.42 C ATOM 648 C LEU A 42 1.934 -12.555 -1.286 1.00 52.14 C ATOM 649 O LEU A 42 1.858 -11.392 -0.843 1.00 50.31 O ATOM 650 CB LEU A 42 0.114 -14.184 -0.509 1.00 43.24 C ATOM 651 CG LEU A 42 -1.187 -15.021 -0.775 1.00 54.31 C ATOM 652 CD1 LEU A 42 -1.687 -15.722 0.512 1.00 33.14 C ATOM 653 CD2 LEU A 42 -2.295 -14.160 -1.405 1.00 22.32 C ATOM 0 H LEU A 42 0.779 -15.195 -2.700 1.00 14.30 H new ATOM 0 HA LEU A 42 -0.092 -12.597 -1.970 1.00 54.42 H new ATOM 0 HB2 LEU A 42 0.900 -14.869 -0.191 1.00 43.24 H new ATOM 0 HB3 LEU A 42 -0.080 -13.512 0.327 1.00 43.24 H new ATOM 0 HG LEU A 42 -0.927 -15.799 -1.493 1.00 54.31 H new ATOM 0 HD11 LEU A 42 -2.589 -16.292 0.289 1.00 33.14 H new ATOM 0 HD12 LEU A 42 -0.915 -16.396 0.883 1.00 33.14 H new ATOM 0 HD13 LEU A 42 -1.910 -14.973 1.271 1.00 33.14 H new ATOM 0 HD21 LEU A 42 -3.180 -14.773 -1.575 1.00 22.32 H new ATOM 0 HD22 LEU A 42 -2.545 -13.340 -0.732 1.00 22.32 H new ATOM 0 HD23 LEU A 42 -1.946 -13.756 -2.355 1.00 22.32 H new ATOM 665 N SER A 43 3.105 -13.196 -1.474 1.00 64.14 N ATOM 666 CA SER A 43 4.405 -12.575 -1.186 1.00 60.41 C ATOM 667 C SER A 43 4.724 -11.479 -2.226 1.00 3.00 C ATOM 668 O SER A 43 5.189 -10.398 -1.845 1.00 14.33 O ATOM 669 CB SER A 43 5.527 -13.638 -1.128 1.00 13.42 C ATOM 670 OG SER A 43 6.790 -13.049 -0.836 1.00 44.12 O ATOM 0 H SER A 43 3.172 -14.151 -1.827 1.00 64.14 H new ATOM 0 HA SER A 43 4.349 -12.103 -0.205 1.00 60.41 H new ATOM 0 HB2 SER A 43 5.287 -14.381 -0.368 1.00 13.42 H new ATOM 0 HB3 SER A 43 5.581 -14.164 -2.081 1.00 13.42 H new ATOM 0 HG SER A 43 7.477 -13.747 -0.805 1.00 44.12 H new ATOM 676 N PHE A 44 4.444 -11.735 -3.545 1.00 33.43 N ATOM 677 CA PHE A 44 4.679 -10.711 -4.604 1.00 34.13 C ATOM 678 C PHE A 44 3.742 -9.513 -4.384 1.00 23.05 C ATOM 679 O PHE A 44 4.095 -8.383 -4.733 1.00 74.03 O ATOM 680 CB PHE A 44 4.600 -11.289 -6.086 1.00 35.13 C ATOM 681 CG PHE A 44 3.337 -10.973 -6.954 1.00 65.43 C ATOM 682 CD1 PHE A 44 3.117 -9.698 -7.510 1.00 71.22 C ATOM 683 CD2 PHE A 44 2.395 -11.958 -7.231 1.00 1.11 C ATOM 684 CE1 PHE A 44 2.003 -9.438 -8.291 1.00 34.52 C ATOM 685 CE2 PHE A 44 1.280 -11.695 -8.013 1.00 12.44 C ATOM 686 CZ PHE A 44 1.082 -10.436 -8.538 1.00 12.02 C ATOM 0 H PHE A 44 4.066 -12.618 -3.887 1.00 33.43 H new ATOM 0 HA PHE A 44 5.710 -10.371 -4.506 1.00 34.13 H new ATOM 0 HB2 PHE A 44 5.472 -10.925 -6.629 1.00 35.13 H new ATOM 0 HB3 PHE A 44 4.694 -12.373 -6.022 1.00 35.13 H new ATOM 0 HD1 PHE A 44 3.830 -8.908 -7.324 1.00 71.22 H new ATOM 0 HD2 PHE A 44 2.535 -12.950 -6.828 1.00 1.11 H new ATOM 0 HE1 PHE A 44 1.855 -8.453 -8.707 1.00 34.52 H new ATOM 0 HE2 PHE A 44 0.565 -12.479 -8.211 1.00 12.44 H new ATOM 0 HZ PHE A 44 0.209 -10.231 -9.140 1.00 12.02 H new ATOM 696 N ILE A 45 2.549 -9.771 -3.807 1.00 34.30 N ATOM 697 CA ILE A 45 1.606 -8.707 -3.434 1.00 41.42 C ATOM 698 C ILE A 45 2.160 -7.895 -2.243 1.00 13.15 C ATOM 699 O ILE A 45 2.002 -6.690 -2.228 1.00 73.20 O ATOM 700 CB ILE A 45 0.167 -9.255 -3.105 1.00 13.40 C ATOM 701 CG1 ILE A 45 -0.399 -10.082 -4.303 1.00 71.24 C ATOM 702 CG2 ILE A 45 -0.799 -8.097 -2.746 1.00 74.05 C ATOM 703 CD1 ILE A 45 -1.738 -10.756 -4.028 1.00 61.20 C ATOM 0 H ILE A 45 2.220 -10.712 -3.591 1.00 34.30 H new ATOM 0 HA ILE A 45 1.503 -8.055 -4.301 1.00 41.42 H new ATOM 0 HB ILE A 45 0.250 -9.912 -2.240 1.00 13.40 H new ATOM 0 HG12 ILE A 45 -0.508 -9.423 -5.164 1.00 71.24 H new ATOM 0 HG13 ILE A 45 0.329 -10.846 -4.577 1.00 71.24 H new ATOM 0 HG21 ILE A 45 -1.786 -8.502 -2.523 1.00 74.05 H new ATOM 0 HG22 ILE A 45 -0.420 -7.564 -1.874 1.00 74.05 H new ATOM 0 HG23 ILE A 45 -0.871 -7.409 -3.588 1.00 74.05 H new ATOM 0 HD11 ILE A 45 -2.056 -11.308 -4.913 1.00 61.20 H new ATOM 0 HD12 ILE A 45 -1.633 -11.444 -3.189 1.00 61.20 H new ATOM 0 HD13 ILE A 45 -2.483 -9.999 -3.785 1.00 61.20 H new ATOM 715 N HIS A 46 2.815 -8.551 -1.252 1.00 3.42 N ATOM 716 CA HIS A 46 3.561 -7.807 -0.188 1.00 13.33 C ATOM 717 C HIS A 46 4.658 -6.903 -0.805 1.00 24.04 C ATOM 718 O HIS A 46 4.845 -5.748 -0.364 1.00 3.34 O ATOM 719 CB HIS A 46 4.188 -8.764 0.867 1.00 71.34 C ATOM 720 CG HIS A 46 5.170 -8.085 1.803 1.00 51.54 C ATOM 721 ND1 HIS A 46 4.792 -7.263 2.845 1.00 15.44 N ATOM 722 CD2 HIS A 46 6.525 -8.068 1.799 1.00 31.21 C ATOM 723 CE1 HIS A 46 5.870 -6.780 3.432 1.00 34.13 C ATOM 724 NE2 HIS A 46 6.931 -7.252 2.818 1.00 14.24 N ATOM 0 H HIS A 46 2.847 -9.566 -1.161 1.00 3.42 H new ATOM 0 HA HIS A 46 2.833 -7.179 0.324 1.00 13.33 H new ATOM 0 HB2 HIS A 46 3.389 -9.213 1.457 1.00 71.34 H new ATOM 0 HB3 HIS A 46 4.697 -9.577 0.349 1.00 71.34 H new ATOM 0 HD2 HIS A 46 7.168 -8.602 1.115 1.00 31.21 H new ATOM 0 HE1 HIS A 46 5.879 -6.108 4.277 1.00 34.13 H new ATOM 0 HE2 HIS A 46 7.899 -7.044 3.062 1.00 14.24 H new ATOM 733 N HIS A 47 5.378 -7.441 -1.819 1.00 62.04 N ATOM 734 CA HIS A 47 6.380 -6.667 -2.581 1.00 12.50 C ATOM 735 C HIS A 47 5.702 -5.438 -3.225 1.00 14.23 C ATOM 736 O HIS A 47 6.203 -4.333 -3.091 1.00 2.01 O ATOM 737 CB HIS A 47 7.096 -7.547 -3.653 1.00 1.01 C ATOM 738 CG HIS A 47 8.176 -8.473 -3.116 1.00 23.55 C ATOM 739 ND1 HIS A 47 7.906 -9.587 -2.344 1.00 42.34 N ATOM 740 CD2 HIS A 47 9.530 -8.445 -3.245 1.00 61.42 C ATOM 741 CE1 HIS A 47 9.032 -10.193 -2.022 1.00 71.22 C ATOM 742 NE2 HIS A 47 10.034 -9.522 -2.557 1.00 51.35 N ATOM 0 H HIS A 47 5.281 -8.409 -2.126 1.00 62.04 H new ATOM 0 HA HIS A 47 7.152 -6.325 -1.891 1.00 12.50 H new ATOM 0 HB2 HIS A 47 6.346 -8.149 -4.165 1.00 1.01 H new ATOM 0 HB3 HIS A 47 7.542 -6.890 -4.400 1.00 1.01 H new ATOM 0 HD1 HIS A 47 6.974 -9.895 -2.065 1.00 42.34 H new ATOM 0 HD2 HIS A 47 10.104 -7.710 -3.789 1.00 61.42 H new ATOM 0 HE1 HIS A 47 9.119 -11.087 -1.422 1.00 71.22 H new ATOM 751 N GLN A 48 4.527 -5.652 -3.854 1.00 11.14 N ATOM 752 CA GLN A 48 3.699 -4.568 -4.418 1.00 14.22 C ATOM 753 C GLN A 48 3.345 -3.528 -3.328 1.00 65.51 C ATOM 754 O GLN A 48 3.577 -2.351 -3.511 1.00 25.31 O ATOM 755 CB GLN A 48 2.394 -5.149 -5.033 1.00 71.31 C ATOM 756 CG GLN A 48 2.550 -5.969 -6.339 1.00 32.11 C ATOM 757 CD GLN A 48 2.702 -5.111 -7.607 1.00 24.23 C ATOM 758 OE1 GLN A 48 3.255 -4.017 -7.581 1.00 54.01 O ATOM 759 NE2 GLN A 48 2.173 -5.590 -8.727 1.00 33.35 N ATOM 0 H GLN A 48 4.127 -6.581 -3.984 1.00 11.14 H new ATOM 0 HA GLN A 48 4.274 -4.074 -5.201 1.00 14.22 H new ATOM 0 HB2 GLN A 48 1.918 -5.785 -4.286 1.00 71.31 H new ATOM 0 HB3 GLN A 48 1.712 -4.322 -5.229 1.00 71.31 H new ATOM 0 HG2 GLN A 48 3.421 -6.617 -6.246 1.00 32.11 H new ATOM 0 HG3 GLN A 48 1.681 -6.617 -6.454 1.00 32.11 H new ATOM 0 HE21 GLN A 48 1.718 -6.503 -8.726 1.00 33.35 H new ATOM 0 HE22 GLN A 48 2.222 -5.045 -9.588 1.00 33.35 H new ATOM 768 N ILE A 49 2.846 -4.008 -2.174 1.00 44.22 N ATOM 769 CA ILE A 49 2.358 -3.168 -1.062 1.00 44.24 C ATOM 770 C ILE A 49 3.443 -2.173 -0.618 1.00 2.31 C ATOM 771 O ILE A 49 3.264 -0.960 -0.738 1.00 41.10 O ATOM 772 CB ILE A 49 1.899 -4.074 0.161 1.00 43.53 C ATOM 773 CG1 ILE A 49 0.576 -4.838 -0.172 1.00 41.51 C ATOM 774 CG2 ILE A 49 1.755 -3.281 1.486 1.00 24.33 C ATOM 775 CD1 ILE A 49 0.184 -5.885 0.859 1.00 4.01 C ATOM 0 H ILE A 49 2.769 -5.007 -1.984 1.00 44.22 H new ATOM 0 HA ILE A 49 1.496 -2.601 -1.414 1.00 44.24 H new ATOM 0 HB ILE A 49 2.696 -4.801 0.318 1.00 43.53 H new ATOM 0 HG12 ILE A 49 -0.234 -4.115 -0.265 1.00 41.51 H new ATOM 0 HG13 ILE A 49 0.684 -5.323 -1.142 1.00 41.51 H new ATOM 0 HG21 ILE A 49 1.439 -3.956 2.282 1.00 24.33 H new ATOM 0 HG22 ILE A 49 2.714 -2.834 1.749 1.00 24.33 H new ATOM 0 HG23 ILE A 49 1.010 -2.495 1.360 1.00 24.33 H new ATOM 0 HD11 ILE A 49 -0.744 -6.368 0.553 1.00 4.01 H new ATOM 0 HD12 ILE A 49 0.974 -6.632 0.937 1.00 4.01 H new ATOM 0 HD13 ILE A 49 0.041 -5.406 1.828 1.00 4.01 H new ATOM 787 N ILE A 50 4.595 -2.710 -0.192 1.00 32.44 N ATOM 788 CA ILE A 50 5.633 -1.921 0.485 1.00 52.15 C ATOM 789 C ILE A 50 6.553 -1.172 -0.526 1.00 75.52 C ATOM 790 O ILE A 50 6.994 -0.042 -0.241 1.00 42.44 O ATOM 791 CB ILE A 50 6.425 -2.849 1.479 1.00 70.23 C ATOM 792 CG1 ILE A 50 5.463 -3.442 2.562 1.00 31.25 C ATOM 793 CG2 ILE A 50 7.591 -2.122 2.163 1.00 5.25 C ATOM 794 CD1 ILE A 50 4.786 -2.411 3.466 1.00 22.21 C ATOM 0 H ILE A 50 4.832 -3.696 -0.306 1.00 32.44 H new ATOM 0 HA ILE A 50 5.160 -1.131 1.069 1.00 52.15 H new ATOM 0 HB ILE A 50 6.848 -3.657 0.882 1.00 70.23 H new ATOM 0 HG12 ILE A 50 4.690 -4.024 2.059 1.00 31.25 H new ATOM 0 HG13 ILE A 50 6.028 -4.134 3.187 1.00 31.25 H new ATOM 0 HG21 ILE A 50 8.102 -2.809 2.837 1.00 5.25 H new ATOM 0 HG22 ILE A 50 8.292 -1.766 1.407 1.00 5.25 H new ATOM 0 HG23 ILE A 50 7.208 -1.274 2.731 1.00 5.25 H new ATOM 0 HD11 ILE A 50 4.141 -2.922 4.181 1.00 22.21 H new ATOM 0 HD12 ILE A 50 5.546 -1.844 4.004 1.00 22.21 H new ATOM 0 HD13 ILE A 50 4.188 -1.732 2.859 1.00 22.21 H new ATOM 806 N GLU A 51 6.803 -1.763 -1.720 1.00 35.11 N ATOM 807 CA GLU A 51 7.600 -1.091 -2.781 1.00 5.35 C ATOM 808 C GLU A 51 6.792 0.097 -3.349 1.00 62.33 C ATOM 809 O GLU A 51 7.309 1.215 -3.438 1.00 61.21 O ATOM 810 CB GLU A 51 8.010 -2.106 -3.898 1.00 3.43 C ATOM 811 CG GLU A 51 9.116 -1.659 -4.898 1.00 2.24 C ATOM 812 CD GLU A 51 8.677 -0.584 -5.917 1.00 2.44 C ATOM 813 OE1 GLU A 51 7.775 -0.879 -6.736 1.00 64.45 O ATOM 814 OE2 GLU A 51 9.242 0.538 -5.920 1.00 62.33 O ATOM 0 H GLU A 51 6.469 -2.693 -1.973 1.00 35.11 H new ATOM 0 HA GLU A 51 8.525 -0.706 -2.353 1.00 5.35 H new ATOM 0 HB2 GLU A 51 8.344 -3.024 -3.414 1.00 3.43 H new ATOM 0 HB3 GLU A 51 7.117 -2.355 -4.472 1.00 3.43 H new ATOM 0 HG2 GLU A 51 9.965 -1.276 -4.331 1.00 2.24 H new ATOM 0 HG3 GLU A 51 9.467 -2.535 -5.444 1.00 2.24 H new ATOM 821 N LEU A 52 5.505 -0.154 -3.709 1.00 44.23 N ATOM 822 CA LEU A 52 4.594 0.904 -4.207 1.00 3.53 C ATOM 823 C LEU A 52 4.212 1.886 -3.080 1.00 32.15 C ATOM 824 O LEU A 52 3.788 3.005 -3.369 1.00 35.44 O ATOM 825 CB LEU A 52 3.304 0.324 -4.841 1.00 35.22 C ATOM 826 CG LEU A 52 3.453 -0.610 -6.085 1.00 60.45 C ATOM 827 CD1 LEU A 52 2.066 -1.160 -6.503 1.00 12.01 C ATOM 828 CD2 LEU A 52 4.157 0.114 -7.249 1.00 44.15 C ATOM 0 H LEU A 52 5.079 -1.079 -3.663 1.00 44.23 H new ATOM 0 HA LEU A 52 5.143 1.437 -4.983 1.00 3.53 H new ATOM 0 HB2 LEU A 52 2.773 -0.232 -4.068 1.00 35.22 H new ATOM 0 HB3 LEU A 52 2.667 1.161 -5.126 1.00 35.22 H new ATOM 0 HG LEU A 52 4.086 -1.455 -5.813 1.00 60.45 H new ATOM 0 HD11 LEU A 52 2.179 -1.810 -7.371 1.00 12.01 H new ATOM 0 HD12 LEU A 52 1.636 -1.728 -5.678 1.00 12.01 H new ATOM 0 HD13 LEU A 52 1.406 -0.330 -6.755 1.00 12.01 H new ATOM 0 HD21 LEU A 52 4.245 -0.563 -8.099 1.00 44.15 H new ATOM 0 HD22 LEU A 52 3.574 0.988 -7.540 1.00 44.15 H new ATOM 0 HD23 LEU A 52 5.151 0.430 -6.933 1.00 44.15 H new ATOM 840 N ALA A 53 4.321 1.447 -1.804 1.00 24.34 N ATOM 841 CA ALA A 53 4.218 2.359 -0.653 1.00 22.51 C ATOM 842 C ALA A 53 5.346 3.395 -0.723 1.00 11.30 C ATOM 843 O ALA A 53 5.078 4.588 -0.692 1.00 65.02 O ATOM 844 CB ALA A 53 4.251 1.602 0.690 1.00 40.22 C ATOM 0 H ALA A 53 4.479 0.471 -1.552 1.00 24.34 H new ATOM 0 HA ALA A 53 3.254 2.866 -0.704 1.00 22.51 H new ATOM 0 HB1 ALA A 53 4.172 2.314 1.511 1.00 40.22 H new ATOM 0 HB2 ALA A 53 3.416 0.903 0.734 1.00 40.22 H new ATOM 0 HB3 ALA A 53 5.188 1.052 0.775 1.00 40.22 H new ATOM 850 N ARG A 54 6.602 2.914 -0.873 1.00 22.04 N ATOM 851 CA ARG A 54 7.792 3.800 -1.001 1.00 34.10 C ATOM 852 C ARG A 54 7.749 4.652 -2.297 1.00 45.03 C ATOM 853 O ARG A 54 8.245 5.786 -2.320 1.00 75.23 O ATOM 854 CB ARG A 54 9.102 2.965 -0.958 1.00 55.34 C ATOM 855 CG ARG A 54 9.320 2.216 0.375 1.00 4.32 C ATOM 856 CD ARG A 54 10.578 1.324 0.402 1.00 61.52 C ATOM 857 NE ARG A 54 10.630 0.521 1.640 1.00 0.42 N ATOM 858 CZ ARG A 54 11.738 0.055 2.231 1.00 22.34 C ATOM 859 NH1 ARG A 54 12.943 0.284 1.716 1.00 1.41 N ATOM 860 NH2 ARG A 54 11.628 -0.642 3.354 1.00 72.35 N ATOM 0 H ARG A 54 6.822 1.919 -0.909 1.00 22.04 H new ATOM 0 HA ARG A 54 7.773 4.485 -0.153 1.00 34.10 H new ATOM 0 HB2 ARG A 54 9.087 2.241 -1.773 1.00 55.34 H new ATOM 0 HB3 ARG A 54 9.950 3.627 -1.135 1.00 55.34 H new ATOM 0 HG2 ARG A 54 9.389 2.946 1.182 1.00 4.32 H new ATOM 0 HG3 ARG A 54 8.446 1.598 0.578 1.00 4.32 H new ATOM 0 HD2 ARG A 54 10.578 0.663 -0.465 1.00 61.52 H new ATOM 0 HD3 ARG A 54 11.471 1.945 0.329 1.00 61.52 H new ATOM 0 HE ARG A 54 9.740 0.301 2.086 1.00 0.42 H new ATOM 0 HH11 ARG A 54 13.036 0.823 0.855 1.00 1.41 H new ATOM 0 HH12 ARG A 54 13.774 -0.080 2.182 1.00 1.41 H new ATOM 0 HH21 ARG A 54 10.708 -0.817 3.757 1.00 72.35 H new ATOM 0 HH22 ARG A 54 12.464 -1.003 3.814 1.00 72.35 H new ATOM 874 N ASP A 55 7.141 4.091 -3.354 1.00 63.33 N ATOM 875 CA ASP A 55 6.979 4.755 -4.663 1.00 50.11 C ATOM 876 C ASP A 55 6.026 5.969 -4.523 1.00 61.44 C ATOM 877 O ASP A 55 6.425 7.132 -4.748 1.00 40.44 O ATOM 878 CB ASP A 55 6.439 3.710 -5.682 1.00 3.32 C ATOM 879 CG ASP A 55 6.387 4.209 -7.133 1.00 3.45 C ATOM 880 OD1 ASP A 55 7.395 4.058 -7.862 1.00 62.11 O ATOM 881 OD2 ASP A 55 5.344 4.741 -7.562 1.00 35.32 O ATOM 0 H ASP A 55 6.742 3.153 -3.326 1.00 63.33 H new ATOM 0 HA ASP A 55 7.935 5.134 -5.024 1.00 50.11 H new ATOM 0 HB2 ASP A 55 7.067 2.820 -5.639 1.00 3.32 H new ATOM 0 HB3 ASP A 55 5.437 3.408 -5.378 1.00 3.32 H new ATOM 886 N CYS A 56 4.791 5.672 -4.057 1.00 30.45 N ATOM 887 CA CYS A 56 3.746 6.674 -3.769 1.00 55.33 C ATOM 888 C CYS A 56 4.237 7.704 -2.741 1.00 24.04 C ATOM 889 O CYS A 56 3.919 8.892 -2.848 1.00 61.30 O ATOM 890 CB CYS A 56 2.473 5.981 -3.238 1.00 62.03 C ATOM 891 SG CYS A 56 1.082 7.099 -2.942 1.00 34.20 S ATOM 0 H CYS A 56 4.491 4.715 -3.869 1.00 30.45 H new ATOM 0 HA CYS A 56 3.515 7.194 -4.699 1.00 55.33 H new ATOM 0 HB2 CYS A 56 2.164 5.218 -3.953 1.00 62.03 H new ATOM 0 HB3 CYS A 56 2.715 5.467 -2.308 1.00 62.03 H new ATOM 0 HG CYS A 56 -0.025 6.417 -2.917 1.00 34.20 H new ATOM 897 N LEU A 57 5.044 7.223 -1.764 1.00 41.41 N ATOM 898 CA LEU A 57 5.630 8.057 -0.706 1.00 40.12 C ATOM 899 C LEU A 57 6.507 9.140 -1.326 1.00 53.05 C ATOM 900 O LEU A 57 6.169 10.317 -1.241 1.00 4.35 O ATOM 901 CB LEU A 57 6.473 7.186 0.270 1.00 11.13 C ATOM 902 CG LEU A 57 7.201 7.928 1.440 1.00 61.04 C ATOM 903 CD1 LEU A 57 6.203 8.615 2.391 1.00 41.40 C ATOM 904 CD2 LEU A 57 8.133 6.961 2.210 1.00 34.02 C ATOM 0 H LEU A 57 5.303 6.239 -1.695 1.00 41.41 H new ATOM 0 HA LEU A 57 4.823 8.526 -0.144 1.00 40.12 H new ATOM 0 HB2 LEU A 57 5.816 6.432 0.704 1.00 11.13 H new ATOM 0 HB3 LEU A 57 7.225 6.655 -0.314 1.00 11.13 H new ATOM 0 HG LEU A 57 7.815 8.713 0.999 1.00 61.04 H new ATOM 0 HD11 LEU A 57 6.749 9.119 3.189 1.00 41.40 H new ATOM 0 HD12 LEU A 57 5.616 9.346 1.836 1.00 41.40 H new ATOM 0 HD13 LEU A 57 5.538 7.867 2.822 1.00 41.40 H new ATOM 0 HD21 LEU A 57 8.628 7.499 3.018 1.00 34.02 H new ATOM 0 HD22 LEU A 57 7.545 6.143 2.626 1.00 34.02 H new ATOM 0 HD23 LEU A 57 8.883 6.559 1.529 1.00 34.02 H new ATOM 916 N THR A 58 7.563 8.702 -2.046 1.00 52.02 N ATOM 917 CA THR A 58 8.587 9.596 -2.616 1.00 53.50 C ATOM 918 C THR A 58 7.975 10.570 -3.644 1.00 20.41 C ATOM 919 O THR A 58 8.390 11.725 -3.737 1.00 45.31 O ATOM 920 CB THR A 58 9.749 8.761 -3.257 1.00 72.34 C ATOM 921 OG1 THR A 58 10.300 7.882 -2.261 1.00 63.11 O ATOM 922 CG2 THR A 58 10.882 9.640 -3.838 1.00 51.40 C ATOM 0 H THR A 58 7.727 7.716 -2.247 1.00 52.02 H new ATOM 0 HA THR A 58 9.000 10.195 -1.804 1.00 53.50 H new ATOM 0 HB THR A 58 9.321 8.201 -4.088 1.00 72.34 H new ATOM 0 HG1 THR A 58 9.715 7.104 -2.152 1.00 63.11 H new ATOM 0 HG21 THR A 58 11.655 9.001 -4.266 1.00 51.40 H new ATOM 0 HG22 THR A 58 10.477 10.290 -4.614 1.00 51.40 H new ATOM 0 HG23 THR A 58 11.314 10.249 -3.044 1.00 51.40 H new ATOM 930 N LYS A 59 6.954 10.102 -4.383 1.00 10.51 N ATOM 931 CA LYS A 59 6.261 10.913 -5.404 1.00 32.00 C ATOM 932 C LYS A 59 5.217 11.882 -4.793 1.00 33.13 C ATOM 933 O LYS A 59 4.862 12.883 -5.427 1.00 35.41 O ATOM 934 CB LYS A 59 5.679 9.972 -6.485 1.00 23.15 C ATOM 935 CG LYS A 59 6.807 9.236 -7.253 1.00 73.44 C ATOM 936 CD LYS A 59 6.310 8.151 -8.222 1.00 73.41 C ATOM 937 CE LYS A 59 7.477 7.429 -8.922 1.00 42.44 C ATOM 938 NZ LYS A 59 7.005 6.310 -9.777 1.00 35.21 N ATOM 0 H LYS A 59 6.586 9.155 -4.291 1.00 10.51 H new ATOM 0 HA LYS A 59 6.982 11.574 -5.884 1.00 32.00 H new ATOM 0 HB2 LYS A 59 5.017 9.242 -6.018 1.00 23.15 H new ATOM 0 HB3 LYS A 59 5.074 10.548 -7.185 1.00 23.15 H new ATOM 0 HG2 LYS A 59 7.387 9.969 -7.814 1.00 73.44 H new ATOM 0 HG3 LYS A 59 7.484 8.779 -6.531 1.00 73.44 H new ATOM 0 HD2 LYS A 59 5.708 7.424 -7.676 1.00 73.41 H new ATOM 0 HD3 LYS A 59 5.661 8.603 -8.972 1.00 73.41 H new ATOM 0 HE2 LYS A 59 8.031 8.142 -9.532 1.00 42.44 H new ATOM 0 HE3 LYS A 59 8.169 7.046 -8.172 1.00 42.44 H new ATOM 0 HZ1 LYS A 59 7.588 6.260 -10.637 1.00 35.21 H new ATOM 0 HZ2 LYS A 59 7.084 5.415 -9.253 1.00 35.21 H new ATOM 0 HZ3 LYS A 59 6.012 6.470 -10.041 1.00 35.21 H new ATOM 952 N SER A 60 4.711 11.583 -3.575 1.00 43.12 N ATOM 953 CA SER A 60 3.947 12.574 -2.767 1.00 62.02 C ATOM 954 C SER A 60 4.894 13.662 -2.204 1.00 73.15 C ATOM 955 O SER A 60 4.541 14.847 -2.173 1.00 22.01 O ATOM 956 CB SER A 60 3.194 11.887 -1.604 1.00 22.02 C ATOM 957 OG SER A 60 2.163 11.036 -2.075 1.00 74.21 O ATOM 0 H SER A 60 4.814 10.672 -3.128 1.00 43.12 H new ATOM 0 HA SER A 60 3.215 13.041 -3.425 1.00 62.02 H new ATOM 0 HB2 SER A 60 3.898 11.308 -1.006 1.00 22.02 H new ATOM 0 HB3 SER A 60 2.768 12.646 -0.948 1.00 22.02 H new ATOM 0 HG SER A 60 2.555 10.207 -2.420 1.00 74.21 H new ATOM 963 N ARG A 61 6.104 13.238 -1.778 1.00 32.43 N ATOM 964 CA ARG A 61 7.142 14.144 -1.225 1.00 34.04 C ATOM 965 C ARG A 61 7.663 15.082 -2.328 1.00 0.34 C ATOM 966 O ARG A 61 8.008 16.239 -2.076 1.00 71.54 O ATOM 967 CB ARG A 61 8.332 13.332 -0.628 1.00 10.44 C ATOM 968 CG ARG A 61 7.942 12.217 0.368 1.00 73.12 C ATOM 969 CD ARG A 61 9.155 11.558 1.053 1.00 62.13 C ATOM 970 NE ARG A 61 9.700 12.427 2.102 1.00 0.21 N ATOM 971 CZ ARG A 61 10.818 13.154 2.031 1.00 35.53 C ATOM 972 NH1 ARG A 61 11.593 13.135 0.943 1.00 45.45 N ATOM 973 NH2 ARG A 61 11.144 13.911 3.067 1.00 2.24 N ATOM 0 H ARG A 61 6.391 12.260 -1.807 1.00 32.43 H new ATOM 0 HA ARG A 61 6.688 14.732 -0.428 1.00 34.04 H new ATOM 0 HB2 ARG A 61 8.891 12.883 -1.449 1.00 10.44 H new ATOM 0 HB3 ARG A 61 9.006 14.025 -0.125 1.00 10.44 H new ATOM 0 HG2 ARG A 61 7.286 12.635 1.131 1.00 73.12 H new ATOM 0 HG3 ARG A 61 7.372 11.452 -0.159 1.00 73.12 H new ATOM 0 HD2 ARG A 61 8.859 10.602 1.485 1.00 62.13 H new ATOM 0 HD3 ARG A 61 9.926 11.348 0.312 1.00 62.13 H new ATOM 0 HE ARG A 61 9.172 12.481 2.973 1.00 0.21 H new ATOM 0 HH11 ARG A 61 11.335 12.557 0.143 1.00 45.45 H new ATOM 0 HH12 ARG A 61 12.442 13.699 0.912 1.00 45.45 H new ATOM 0 HH21 ARG A 61 10.546 13.929 3.893 1.00 2.24 H new ATOM 0 HH22 ARG A 61 11.993 14.476 3.039 1.00 2.24 H new ATOM 987 N ASP A 62 7.709 14.539 -3.552 1.00 53.13 N ATOM 988 CA ASP A 62 8.144 15.248 -4.763 1.00 22.13 C ATOM 989 C ASP A 62 7.083 16.279 -5.205 1.00 30.25 C ATOM 990 O ASP A 62 7.415 17.372 -5.679 1.00 60.14 O ATOM 991 CB ASP A 62 8.387 14.210 -5.893 1.00 1.23 C ATOM 992 CG ASP A 62 9.030 14.818 -7.153 1.00 32.44 C ATOM 993 OD1 ASP A 62 8.302 15.354 -8.017 1.00 40.04 O ATOM 994 OD2 ASP A 62 10.271 14.762 -7.282 1.00 32.40 O ATOM 0 H ASP A 62 7.438 13.572 -3.732 1.00 53.13 H new ATOM 0 HA ASP A 62 9.067 15.787 -4.552 1.00 22.13 H new ATOM 0 HB2 ASP A 62 9.029 13.415 -5.514 1.00 1.23 H new ATOM 0 HB3 ASP A 62 7.437 13.750 -6.165 1.00 1.23 H new ATOM 999 N GLY A 63 5.804 15.908 -5.007 1.00 53.14 N ATOM 1000 CA GLY A 63 4.673 16.625 -5.601 1.00 40.44 C ATOM 1001 C GLY A 63 4.429 16.195 -7.050 1.00 42.33 C ATOM 1002 O GLY A 63 3.839 16.941 -7.839 1.00 62.43 O ATOM 0 H GLY A 63 5.533 15.109 -4.435 1.00 53.14 H new ATOM 0 HA2 GLY A 63 3.775 16.442 -5.011 1.00 40.44 H new ATOM 0 HA3 GLY A 63 4.863 17.698 -5.567 1.00 40.44 H new ATOM 1006 N LEU A 64 4.913 14.982 -7.380 1.00 64.14 N ATOM 1007 CA LEU A 64 4.787 14.364 -8.715 1.00 42.31 C ATOM 1008 C LEU A 64 3.345 13.874 -8.924 1.00 32.42 C ATOM 1009 O LEU A 64 2.811 13.983 -10.036 1.00 61.00 O ATOM 1010 CB LEU A 64 5.824 13.191 -8.834 1.00 21.03 C ATOM 1011 CG LEU A 64 6.242 12.695 -10.271 1.00 62.55 C ATOM 1012 CD1 LEU A 64 7.526 11.836 -10.195 1.00 45.05 C ATOM 1013 CD2 LEU A 64 5.114 11.905 -10.988 1.00 11.41 C ATOM 0 H LEU A 64 5.412 14.393 -6.714 1.00 64.14 H new ATOM 0 HA LEU A 64 5.004 15.093 -9.495 1.00 42.31 H new ATOM 0 HB2 LEU A 64 6.731 13.497 -8.313 1.00 21.03 H new ATOM 0 HB3 LEU A 64 5.419 12.335 -8.293 1.00 21.03 H new ATOM 0 HG LEU A 64 6.434 13.588 -10.865 1.00 62.55 H new ATOM 0 HD11 LEU A 64 7.800 11.502 -11.196 1.00 45.05 H new ATOM 0 HD12 LEU A 64 8.338 12.431 -9.776 1.00 45.05 H new ATOM 0 HD13 LEU A 64 7.346 10.969 -9.560 1.00 45.05 H new ATOM 0 HD21 LEU A 64 5.460 11.589 -11.972 1.00 11.41 H new ATOM 0 HD22 LEU A 64 4.852 11.027 -10.397 1.00 11.41 H new ATOM 0 HD23 LEU A 64 4.237 12.543 -11.099 1.00 11.41 H new ATOM 1025 N ILE A 65 2.736 13.342 -7.836 1.00 30.45 N ATOM 1026 CA ILE A 65 1.366 12.808 -7.853 1.00 72.33 C ATOM 1027 C ILE A 65 0.373 13.880 -8.360 1.00 75.33 C ATOM 1028 O ILE A 65 0.055 14.839 -7.650 1.00 44.34 O ATOM 1029 CB ILE A 65 0.946 12.229 -6.438 1.00 25.13 C ATOM 1030 CG1 ILE A 65 1.834 10.969 -6.114 1.00 62.01 C ATOM 1031 CG2 ILE A 65 -0.570 11.899 -6.374 1.00 20.21 C ATOM 1032 CD1 ILE A 65 1.322 10.038 -5.020 1.00 41.42 C ATOM 0 H ILE A 65 3.188 13.274 -6.924 1.00 30.45 H new ATOM 0 HA ILE A 65 1.336 11.971 -8.551 1.00 72.33 H new ATOM 0 HB ILE A 65 1.120 12.991 -5.678 1.00 25.13 H new ATOM 0 HG12 ILE A 65 1.949 10.389 -7.029 1.00 62.01 H new ATOM 0 HG13 ILE A 65 2.827 11.316 -5.829 1.00 62.01 H new ATOM 0 HG21 ILE A 65 -0.815 11.505 -5.388 1.00 20.21 H new ATOM 0 HG22 ILE A 65 -1.148 12.805 -6.557 1.00 20.21 H new ATOM 0 HG23 ILE A 65 -0.813 11.155 -7.133 1.00 20.21 H new ATOM 0 HD11 ILE A 65 2.019 9.210 -4.891 1.00 41.42 H new ATOM 0 HD12 ILE A 65 1.236 10.590 -4.084 1.00 41.42 H new ATOM 0 HD13 ILE A 65 0.344 9.648 -5.303 1.00 41.42 H new ATOM 1044 N THR A 66 -0.042 13.703 -9.629 1.00 23.22 N ATOM 1045 CA THR A 66 -0.922 14.623 -10.353 1.00 14.24 C ATOM 1046 C THR A 66 -2.307 14.686 -9.672 1.00 12.04 C ATOM 1047 O THR A 66 -2.723 15.721 -9.139 1.00 21.12 O ATOM 1048 CB THR A 66 -1.041 14.146 -11.853 1.00 52.01 C ATOM 1049 OG1 THR A 66 -1.567 12.799 -11.906 1.00 54.22 O ATOM 1050 CG2 THR A 66 0.322 14.162 -12.571 1.00 52.41 C ATOM 0 H THR A 66 0.235 12.895 -10.187 1.00 23.22 H new ATOM 0 HA THR A 66 -0.502 15.629 -10.336 1.00 14.24 H new ATOM 0 HB THR A 66 -1.712 14.842 -12.357 1.00 52.01 H new ATOM 0 HG1 THR A 66 -1.639 12.512 -12.840 1.00 54.22 H new ATOM 0 HG21 THR A 66 0.195 13.827 -13.600 1.00 52.41 H new ATOM 0 HG22 THR A 66 0.724 15.175 -12.566 1.00 52.41 H new ATOM 0 HG23 THR A 66 1.013 13.495 -12.055 1.00 52.41 H new ATOM 1058 N THR A 67 -2.955 13.520 -9.662 1.00 53.50 N ATOM 1059 CA THR A 67 -4.289 13.275 -9.103 1.00 50.10 C ATOM 1060 C THR A 67 -4.471 11.746 -9.074 1.00 71.53 C ATOM 1061 O THR A 67 -4.702 11.140 -8.017 1.00 73.13 O ATOM 1062 CB THR A 67 -5.453 13.929 -9.966 1.00 52.43 C ATOM 1063 OG1 THR A 67 -5.266 15.351 -10.101 1.00 10.33 O ATOM 1064 CG2 THR A 67 -6.850 13.670 -9.365 1.00 2.31 C ATOM 0 H THR A 67 -2.544 12.677 -10.064 1.00 53.50 H new ATOM 0 HA THR A 67 -4.353 13.728 -8.114 1.00 50.10 H new ATOM 0 HB THR A 67 -5.402 13.453 -10.945 1.00 52.43 H new ATOM 0 HG1 THR A 67 -5.995 15.727 -10.637 1.00 10.33 H new ATOM 0 HG21 THR A 67 -7.609 14.138 -9.993 1.00 2.31 H new ATOM 0 HG22 THR A 67 -7.032 12.596 -9.316 1.00 2.31 H new ATOM 0 HG23 THR A 67 -6.898 14.093 -8.361 1.00 2.31 H new ATOM 1072 N VAL A 68 -4.232 11.136 -10.255 1.00 4.50 N ATOM 1073 CA VAL A 68 -4.583 9.736 -10.562 1.00 35.44 C ATOM 1074 C VAL A 68 -3.819 8.714 -9.672 1.00 13.33 C ATOM 1075 O VAL A 68 -4.354 7.659 -9.344 1.00 45.25 O ATOM 1076 CB VAL A 68 -4.307 9.419 -12.084 1.00 62.42 C ATOM 1077 CG1 VAL A 68 -4.854 8.031 -12.499 1.00 43.44 C ATOM 1078 CG2 VAL A 68 -4.868 10.530 -13.010 1.00 13.12 C ATOM 0 H VAL A 68 -3.781 11.614 -11.035 1.00 4.50 H new ATOM 0 HA VAL A 68 -5.646 9.629 -10.346 1.00 35.44 H new ATOM 0 HB VAL A 68 -3.224 9.394 -12.205 1.00 62.42 H new ATOM 0 HG11 VAL A 68 -4.641 7.857 -13.554 1.00 43.44 H new ATOM 0 HG12 VAL A 68 -4.375 7.257 -11.899 1.00 43.44 H new ATOM 0 HG13 VAL A 68 -5.931 8.001 -12.337 1.00 43.44 H new ATOM 0 HG21 VAL A 68 -4.659 10.277 -14.049 1.00 13.12 H new ATOM 0 HG22 VAL A 68 -5.945 10.614 -12.866 1.00 13.12 H new ATOM 0 HG23 VAL A 68 -4.394 11.481 -12.766 1.00 13.12 H new ATOM 1088 N TYR A 69 -2.586 9.076 -9.256 1.00 42.54 N ATOM 1089 CA TYR A 69 -1.626 8.156 -8.594 1.00 24.51 C ATOM 1090 C TYR A 69 -2.198 7.529 -7.288 1.00 4.35 C ATOM 1091 O TYR A 69 -1.962 6.345 -7.010 1.00 21.22 O ATOM 1092 CB TYR A 69 -0.283 8.908 -8.328 1.00 12.34 C ATOM 1093 CG TYR A 69 0.979 8.159 -8.791 1.00 53.30 C ATOM 1094 CD1 TYR A 69 1.423 7.018 -8.122 1.00 33.33 C ATOM 1095 CD2 TYR A 69 1.703 8.581 -9.912 1.00 72.03 C ATOM 1096 CE1 TYR A 69 2.538 6.332 -8.550 1.00 4.55 C ATOM 1097 CE2 TYR A 69 2.816 7.893 -10.344 1.00 1.44 C ATOM 1098 CZ TYR A 69 3.229 6.768 -9.661 1.00 34.13 C ATOM 1099 OH TYR A 69 4.337 6.074 -10.100 1.00 32.33 O ATOM 0 H TYR A 69 -2.223 10.022 -9.370 1.00 42.54 H new ATOM 0 HA TYR A 69 -1.442 7.320 -9.268 1.00 24.51 H new ATOM 0 HB2 TYR A 69 -0.319 9.875 -8.830 1.00 12.34 H new ATOM 0 HB3 TYR A 69 -0.199 9.106 -7.259 1.00 12.34 H new ATOM 0 HD1 TYR A 69 0.884 6.667 -7.255 1.00 33.33 H new ATOM 0 HD2 TYR A 69 1.383 9.462 -10.448 1.00 72.03 H new ATOM 0 HE1 TYR A 69 2.871 5.454 -8.016 1.00 4.55 H new ATOM 0 HE2 TYR A 69 3.362 8.233 -11.212 1.00 1.44 H new ATOM 0 HH TYR A 69 4.657 5.483 -9.387 1.00 32.33 H new ATOM 1109 N PHE A 70 -2.968 8.324 -6.518 1.00 1.25 N ATOM 1110 CA PHE A 70 -3.654 7.841 -5.290 1.00 33.11 C ATOM 1111 C PHE A 70 -4.677 6.725 -5.636 1.00 74.11 C ATOM 1112 O PHE A 70 -4.777 5.701 -4.936 1.00 41.01 O ATOM 1113 CB PHE A 70 -4.362 9.019 -4.556 1.00 30.32 C ATOM 1114 CG PHE A 70 -3.418 10.066 -3.933 1.00 14.45 C ATOM 1115 CD1 PHE A 70 -2.298 9.674 -3.188 1.00 32.53 C ATOM 1116 CD2 PHE A 70 -3.664 11.439 -4.070 1.00 51.34 C ATOM 1117 CE1 PHE A 70 -1.459 10.617 -2.608 1.00 32.11 C ATOM 1118 CE2 PHE A 70 -2.821 12.377 -3.484 1.00 71.34 C ATOM 1119 CZ PHE A 70 -1.722 11.965 -2.754 1.00 71.32 C ATOM 0 H PHE A 70 -3.134 9.309 -6.722 1.00 1.25 H new ATOM 0 HA PHE A 70 -2.901 7.422 -4.623 1.00 33.11 H new ATOM 0 HB2 PHE A 70 -5.021 9.523 -5.263 1.00 30.32 H new ATOM 0 HB3 PHE A 70 -4.993 8.608 -3.768 1.00 30.32 H new ATOM 0 HD1 PHE A 70 -2.084 8.623 -3.063 1.00 32.53 H new ATOM 0 HD2 PHE A 70 -4.520 11.773 -4.638 1.00 51.34 H new ATOM 0 HE1 PHE A 70 -0.598 10.295 -2.041 1.00 32.11 H new ATOM 0 HE2 PHE A 70 -3.026 13.431 -3.600 1.00 71.34 H new ATOM 0 HZ PHE A 70 -1.070 12.696 -2.299 1.00 71.32 H new ATOM 1129 N TYR A 71 -5.403 6.934 -6.747 1.00 63.31 N ATOM 1130 CA TYR A 71 -6.404 5.977 -7.251 1.00 14.31 C ATOM 1131 C TYR A 71 -5.706 4.764 -7.883 1.00 51.31 C ATOM 1132 O TYR A 71 -6.261 3.675 -7.899 1.00 33.24 O ATOM 1133 CB TYR A 71 -7.337 6.646 -8.294 1.00 51.44 C ATOM 1134 CG TYR A 71 -7.924 7.994 -7.846 1.00 1.54 C ATOM 1135 CD1 TYR A 71 -9.091 8.082 -7.081 1.00 45.43 C ATOM 1136 CD2 TYR A 71 -7.294 9.187 -8.189 1.00 53.32 C ATOM 1137 CE1 TYR A 71 -9.587 9.315 -6.680 1.00 22.42 C ATOM 1138 CE2 TYR A 71 -7.788 10.407 -7.795 1.00 13.32 C ATOM 1139 CZ TYR A 71 -8.929 10.469 -7.044 1.00 73.34 C ATOM 1140 OH TYR A 71 -9.404 11.695 -6.639 1.00 11.21 O ATOM 0 H TYR A 71 -5.313 7.772 -7.322 1.00 63.31 H new ATOM 0 HA TYR A 71 -7.009 5.646 -6.407 1.00 14.31 H new ATOM 0 HB2 TYR A 71 -6.780 6.795 -9.219 1.00 51.44 H new ATOM 0 HB3 TYR A 71 -8.156 5.964 -8.521 1.00 51.44 H new ATOM 0 HD1 TYR A 71 -9.613 7.180 -6.799 1.00 45.43 H new ATOM 0 HD2 TYR A 71 -6.392 9.153 -8.781 1.00 53.32 H new ATOM 0 HE1 TYR A 71 -10.486 9.369 -6.084 1.00 22.42 H new ATOM 0 HE2 TYR A 71 -7.276 11.315 -8.078 1.00 13.32 H new ATOM 0 HH TYR A 71 -8.819 12.402 -6.983 1.00 11.21 H new ATOM 1150 N GLU A 72 -4.479 4.969 -8.400 1.00 32.14 N ATOM 1151 CA GLU A 72 -3.657 3.880 -8.949 1.00 31.33 C ATOM 1152 C GLU A 72 -3.261 2.901 -7.835 1.00 22.53 C ATOM 1153 O GLU A 72 -3.408 1.686 -7.996 1.00 14.34 O ATOM 1154 CB GLU A 72 -2.396 4.434 -9.662 1.00 74.45 C ATOM 1155 CG GLU A 72 -2.677 5.302 -10.913 1.00 54.30 C ATOM 1156 CD GLU A 72 -3.088 4.537 -12.201 1.00 1.22 C ATOM 1157 OE1 GLU A 72 -3.754 3.473 -12.127 1.00 62.01 O ATOM 1158 OE2 GLU A 72 -2.718 5.003 -13.311 1.00 13.34 O ATOM 0 H GLU A 72 -4.035 5.886 -8.448 1.00 32.14 H new ATOM 0 HA GLU A 72 -4.251 3.346 -9.691 1.00 31.33 H new ATOM 0 HB2 GLU A 72 -1.825 5.027 -8.948 1.00 74.45 H new ATOM 0 HB3 GLU A 72 -1.765 3.595 -9.955 1.00 74.45 H new ATOM 0 HG2 GLU A 72 -3.469 6.010 -10.668 1.00 54.30 H new ATOM 0 HG3 GLU A 72 -1.783 5.886 -11.132 1.00 54.30 H new ATOM 1165 N LEU A 73 -2.788 3.450 -6.697 1.00 60.24 N ATOM 1166 CA LEU A 73 -2.480 2.647 -5.496 1.00 44.12 C ATOM 1167 C LEU A 73 -3.742 1.911 -5.001 1.00 34.11 C ATOM 1168 O LEU A 73 -3.709 0.687 -4.783 1.00 54.44 O ATOM 1169 CB LEU A 73 -1.866 3.540 -4.373 1.00 50.23 C ATOM 1170 CG LEU A 73 -0.309 3.676 -4.388 1.00 4.03 C ATOM 1171 CD1 LEU A 73 0.367 2.308 -4.136 1.00 43.21 C ATOM 1172 CD2 LEU A 73 0.207 4.319 -5.700 1.00 2.33 C ATOM 0 H LEU A 73 -2.611 4.448 -6.585 1.00 60.24 H new ATOM 0 HA LEU A 73 -1.736 1.897 -5.763 1.00 44.12 H new ATOM 0 HB2 LEU A 73 -2.300 4.537 -4.450 1.00 50.23 H new ATOM 0 HB3 LEU A 73 -2.167 3.135 -3.407 1.00 50.23 H new ATOM 0 HG LEU A 73 -0.036 4.348 -3.574 1.00 4.03 H new ATOM 0 HD11 LEU A 73 1.450 2.429 -4.151 1.00 43.21 H new ATOM 0 HD12 LEU A 73 0.059 1.923 -3.164 1.00 43.21 H new ATOM 0 HD13 LEU A 73 0.069 1.606 -4.915 1.00 43.21 H new ATOM 0 HD21 LEU A 73 1.294 4.394 -5.666 1.00 2.33 H new ATOM 0 HD22 LEU A 73 -0.088 3.701 -6.548 1.00 2.33 H new ATOM 0 HD23 LEU A 73 -0.222 5.315 -5.810 1.00 2.33 H new ATOM 1184 N GLN A 74 -4.851 2.677 -4.890 1.00 64.24 N ATOM 1185 CA GLN A 74 -6.164 2.162 -4.453 1.00 42.31 C ATOM 1186 C GLN A 74 -6.607 0.937 -5.284 1.00 20.23 C ATOM 1187 O GLN A 74 -6.792 -0.146 -4.737 1.00 42.33 O ATOM 1188 CB GLN A 74 -7.232 3.292 -4.546 1.00 51.34 C ATOM 1189 CG GLN A 74 -8.670 2.882 -4.153 1.00 41.31 C ATOM 1190 CD GLN A 74 -9.668 4.046 -4.178 1.00 40.01 C ATOM 1191 OE1 GLN A 74 -9.308 5.201 -3.954 1.00 1.22 O ATOM 1192 NE2 GLN A 74 -10.933 3.752 -4.445 1.00 5.32 N ATOM 0 H GLN A 74 -4.858 3.675 -5.103 1.00 64.24 H new ATOM 0 HA GLN A 74 -6.068 1.836 -3.417 1.00 42.31 H new ATOM 0 HB2 GLN A 74 -6.920 4.117 -3.905 1.00 51.34 H new ATOM 0 HB3 GLN A 74 -7.247 3.671 -5.568 1.00 51.34 H new ATOM 0 HG2 GLN A 74 -9.016 2.103 -4.833 1.00 41.31 H new ATOM 0 HG3 GLN A 74 -8.655 2.448 -3.153 1.00 41.31 H new ATOM 0 HE21 GLN A 74 -11.205 2.786 -4.627 1.00 5.32 H new ATOM 0 HE22 GLN A 74 -11.635 4.492 -4.468 1.00 5.32 H new ATOM 1201 N GLU A 75 -6.695 1.123 -6.610 1.00 10.32 N ATOM 1202 CA GLU A 75 -7.320 0.162 -7.538 1.00 44.45 C ATOM 1203 C GLU A 75 -6.392 -1.028 -7.880 1.00 34.24 C ATOM 1204 O GLU A 75 -6.884 -2.153 -8.083 1.00 10.31 O ATOM 1205 CB GLU A 75 -7.787 0.917 -8.819 1.00 70.41 C ATOM 1206 CG GLU A 75 -8.890 1.980 -8.550 1.00 11.02 C ATOM 1207 CD GLU A 75 -9.303 2.806 -9.786 1.00 21.53 C ATOM 1208 OE1 GLU A 75 -8.596 3.783 -10.128 1.00 51.25 O ATOM 1209 OE2 GLU A 75 -10.353 2.502 -10.406 1.00 3.21 O ATOM 0 H GLU A 75 -6.330 1.954 -7.076 1.00 10.32 H new ATOM 0 HA GLU A 75 -8.186 -0.277 -7.043 1.00 44.45 H new ATOM 0 HB2 GLU A 75 -6.927 1.406 -9.276 1.00 70.41 H new ATOM 0 HB3 GLU A 75 -8.162 0.192 -9.541 1.00 70.41 H new ATOM 0 HG2 GLU A 75 -9.772 1.477 -8.155 1.00 11.02 H new ATOM 0 HG3 GLU A 75 -8.538 2.661 -7.775 1.00 11.02 H new ATOM 1216 N ASN A 76 -5.054 -0.800 -7.925 1.00 13.00 N ATOM 1217 CA ASN A 76 -4.088 -1.880 -8.156 1.00 50.44 C ATOM 1218 C ASN A 76 -4.043 -2.794 -6.931 1.00 42.23 C ATOM 1219 O ASN A 76 -4.226 -4.007 -7.054 1.00 21.22 O ATOM 1220 CB ASN A 76 -2.676 -1.320 -8.440 1.00 61.41 C ATOM 1221 CG ASN A 76 -1.654 -2.420 -8.728 1.00 53.24 C ATOM 1222 OD1 ASN A 76 -1.951 -3.422 -9.381 1.00 2.21 O ATOM 1223 ND2 ASN A 76 -0.459 -2.257 -8.220 1.00 52.45 N ATOM 0 H ASN A 76 -4.632 0.121 -7.804 1.00 13.00 H new ATOM 0 HA ASN A 76 -4.410 -2.445 -9.031 1.00 50.44 H new ATOM 0 HB2 ASN A 76 -2.723 -0.641 -9.291 1.00 61.41 H new ATOM 0 HB3 ASN A 76 -2.342 -0.734 -7.583 1.00 61.41 H new ATOM 0 HD21 ASN A 76 0.256 -2.970 -8.360 1.00 52.45 H new ATOM 0 HD22 ASN A 76 -0.243 -1.417 -7.684 1.00 52.45 H new ATOM 1230 N LEU A 77 -3.828 -2.194 -5.739 1.00 15.00 N ATOM 1231 CA LEU A 77 -3.754 -2.959 -4.491 1.00 71.21 C ATOM 1232 C LEU A 77 -5.142 -3.523 -4.104 1.00 24.35 C ATOM 1233 O LEU A 77 -5.204 -4.481 -3.345 1.00 63.42 O ATOM 1234 CB LEU A 77 -3.126 -2.117 -3.342 1.00 62.34 C ATOM 1235 CG LEU A 77 -1.630 -1.668 -3.535 1.00 72.33 C ATOM 1236 CD1 LEU A 77 -1.118 -0.871 -2.306 1.00 63.13 C ATOM 1237 CD2 LEU A 77 -0.706 -2.874 -3.842 1.00 52.21 C ATOM 0 H LEU A 77 -3.704 -1.188 -5.623 1.00 15.00 H new ATOM 0 HA LEU A 77 -3.092 -3.809 -4.657 1.00 71.21 H new ATOM 0 HB2 LEU A 77 -3.735 -1.224 -3.202 1.00 62.34 H new ATOM 0 HB3 LEU A 77 -3.192 -2.695 -2.420 1.00 62.34 H new ATOM 0 HG LEU A 77 -1.600 -1.005 -4.400 1.00 72.33 H new ATOM 0 HD11 LEU A 77 -0.082 -0.575 -2.470 1.00 63.13 H new ATOM 0 HD12 LEU A 77 -1.732 0.019 -2.168 1.00 63.13 H new ATOM 0 HD13 LEU A 77 -1.180 -1.496 -1.415 1.00 63.13 H new ATOM 0 HD21 LEU A 77 0.319 -2.524 -3.969 1.00 52.21 H new ATOM 0 HD22 LEU A 77 -0.748 -3.584 -3.016 1.00 52.21 H new ATOM 0 HD23 LEU A 77 -1.038 -3.363 -4.758 1.00 52.21 H new ATOM 1249 N GLU A 78 -6.250 -2.927 -4.627 1.00 34.33 N ATOM 1250 CA GLU A 78 -7.610 -3.508 -4.486 1.00 61.55 C ATOM 1251 C GLU A 78 -7.737 -4.776 -5.345 1.00 5.24 C ATOM 1252 O GLU A 78 -8.292 -5.776 -4.884 1.00 61.13 O ATOM 1253 CB GLU A 78 -8.728 -2.502 -4.869 1.00 34.33 C ATOM 1254 CG GLU A 78 -10.167 -3.044 -4.675 1.00 72.21 C ATOM 1255 CD GLU A 78 -11.259 -2.102 -5.195 1.00 72.24 C ATOM 1256 OE1 GLU A 78 -11.375 -1.947 -6.431 1.00 70.04 O ATOM 1257 OE2 GLU A 78 -11.996 -1.505 -4.376 1.00 62.51 O ATOM 0 H GLU A 78 -6.225 -2.050 -5.147 1.00 34.33 H new ATOM 0 HA GLU A 78 -7.741 -3.758 -3.433 1.00 61.55 H new ATOM 0 HB2 GLU A 78 -8.609 -1.599 -4.271 1.00 34.33 H new ATOM 0 HB3 GLU A 78 -8.599 -2.213 -5.912 1.00 34.33 H new ATOM 0 HG2 GLU A 78 -10.255 -4.004 -5.184 1.00 72.21 H new ATOM 0 HG3 GLU A 78 -10.335 -3.230 -3.614 1.00 72.21 H new ATOM 1264 N LYS A 79 -7.212 -4.728 -6.594 1.00 43.32 N ATOM 1265 CA LYS A 79 -7.143 -5.923 -7.466 1.00 14.33 C ATOM 1266 C LYS A 79 -6.358 -7.042 -6.764 1.00 24.41 C ATOM 1267 O LYS A 79 -6.791 -8.189 -6.711 1.00 33.14 O ATOM 1268 CB LYS A 79 -6.482 -5.608 -8.843 1.00 2.32 C ATOM 1269 CG LYS A 79 -6.399 -6.840 -9.778 1.00 5.25 C ATOM 1270 CD LYS A 79 -5.537 -6.627 -11.040 1.00 10.53 C ATOM 1271 CE LYS A 79 -5.489 -7.889 -11.925 1.00 11.13 C ATOM 1272 NZ LYS A 79 -4.952 -9.081 -11.195 1.00 2.31 N ATOM 0 H LYS A 79 -6.833 -3.880 -7.016 1.00 43.32 H new ATOM 0 HA LYS A 79 -8.167 -6.247 -7.654 1.00 14.33 H new ATOM 0 HB2 LYS A 79 -7.050 -4.821 -9.339 1.00 2.32 H new ATOM 0 HB3 LYS A 79 -5.478 -5.219 -8.676 1.00 2.32 H new ATOM 0 HG2 LYS A 79 -5.995 -7.681 -9.215 1.00 5.25 H new ATOM 0 HG3 LYS A 79 -7.408 -7.117 -10.085 1.00 5.25 H new ATOM 0 HD2 LYS A 79 -5.939 -5.794 -11.617 1.00 10.53 H new ATOM 0 HD3 LYS A 79 -4.524 -6.352 -10.745 1.00 10.53 H new ATOM 0 HE2 LYS A 79 -6.492 -8.112 -12.289 1.00 11.13 H new ATOM 0 HE3 LYS A 79 -4.868 -7.692 -12.799 1.00 11.13 H new ATOM 0 HZ1 LYS A 79 -4.765 -9.848 -11.872 1.00 2.31 H new ATOM 0 HZ2 LYS A 79 -4.068 -8.823 -10.711 1.00 2.31 H new ATOM 0 HZ3 LYS A 79 -5.650 -9.402 -10.493 1.00 2.31 H new ATOM 1286 N LEU A 80 -5.220 -6.651 -6.190 1.00 3.32 N ATOM 1287 CA LEU A 80 -4.309 -7.543 -5.481 1.00 71.30 C ATOM 1288 C LEU A 80 -4.855 -7.914 -4.077 1.00 43.54 C ATOM 1289 O LEU A 80 -4.398 -8.877 -3.472 1.00 10.32 O ATOM 1290 CB LEU A 80 -2.925 -6.856 -5.411 1.00 70.51 C ATOM 1291 CG LEU A 80 -2.234 -6.606 -6.800 1.00 4.34 C ATOM 1292 CD1 LEU A 80 -1.098 -5.561 -6.696 1.00 24.14 C ATOM 1293 CD2 LEU A 80 -1.722 -7.931 -7.416 1.00 72.21 C ATOM 0 H LEU A 80 -4.901 -5.682 -6.207 1.00 3.32 H new ATOM 0 HA LEU A 80 -4.215 -8.487 -6.018 1.00 71.30 H new ATOM 0 HB2 LEU A 80 -3.037 -5.899 -4.901 1.00 70.51 H new ATOM 0 HB3 LEU A 80 -2.263 -7.468 -4.798 1.00 70.51 H new ATOM 0 HG LEU A 80 -2.990 -6.196 -7.469 1.00 4.34 H new ATOM 0 HD11 LEU A 80 -0.646 -5.416 -7.677 1.00 24.14 H new ATOM 0 HD12 LEU A 80 -1.506 -4.614 -6.341 1.00 24.14 H new ATOM 0 HD13 LEU A 80 -0.341 -5.915 -5.996 1.00 24.14 H new ATOM 0 HD21 LEU A 80 -1.249 -7.727 -8.376 1.00 72.21 H new ATOM 0 HD22 LEU A 80 -0.996 -8.388 -6.744 1.00 72.21 H new ATOM 0 HD23 LEU A 80 -2.560 -8.612 -7.562 1.00 72.21 H new ATOM 1305 N LEU A 81 -5.823 -7.126 -3.565 1.00 74.41 N ATOM 1306 CA LEU A 81 -6.619 -7.485 -2.368 1.00 21.02 C ATOM 1307 C LEU A 81 -7.602 -8.618 -2.732 1.00 32.11 C ATOM 1308 O LEU A 81 -7.809 -9.547 -1.944 1.00 54.45 O ATOM 1309 CB LEU A 81 -7.327 -6.210 -1.805 1.00 33.03 C ATOM 1310 CG LEU A 81 -8.246 -6.365 -0.531 1.00 34.04 C ATOM 1311 CD1 LEU A 81 -8.056 -5.198 0.471 1.00 30.32 C ATOM 1312 CD2 LEU A 81 -9.736 -6.480 -0.919 1.00 20.20 C ATOM 0 H LEU A 81 -6.076 -6.224 -3.968 1.00 74.41 H new ATOM 0 HA LEU A 81 -5.976 -7.862 -1.573 1.00 21.02 H new ATOM 0 HB2 LEU A 81 -6.555 -5.477 -1.571 1.00 33.03 H new ATOM 0 HB3 LEU A 81 -7.936 -5.787 -2.604 1.00 33.03 H new ATOM 0 HG LEU A 81 -7.937 -7.288 -0.041 1.00 34.04 H new ATOM 0 HD11 LEU A 81 -8.708 -5.347 1.331 1.00 30.32 H new ATOM 0 HD12 LEU A 81 -7.018 -5.169 0.803 1.00 30.32 H new ATOM 0 HD13 LEU A 81 -8.308 -4.256 -0.016 1.00 30.32 H new ATOM 0 HD21 LEU A 81 -10.340 -6.585 -0.018 1.00 20.20 H new ATOM 0 HD22 LEU A 81 -10.042 -5.583 -1.458 1.00 20.20 H new ATOM 0 HD23 LEU A 81 -9.880 -7.353 -1.556 1.00 20.20 H new ATOM 1324 N GLN A 82 -8.172 -8.554 -3.957 1.00 12.51 N ATOM 1325 CA GLN A 82 -8.978 -9.659 -4.529 1.00 63.02 C ATOM 1326 C GLN A 82 -8.096 -10.906 -4.782 1.00 0.40 C ATOM 1327 O GLN A 82 -8.541 -12.036 -4.554 1.00 42.24 O ATOM 1328 CB GLN A 82 -9.709 -9.222 -5.846 1.00 75.23 C ATOM 1329 CG GLN A 82 -11.103 -8.576 -5.645 1.00 50.22 C ATOM 1330 CD GLN A 82 -11.067 -7.129 -5.146 1.00 31.02 C ATOM 1331 OE1 GLN A 82 -11.120 -6.180 -5.926 1.00 45.44 O ATOM 1332 NE2 GLN A 82 -10.942 -6.946 -3.855 1.00 42.42 N ATOM 0 H GLN A 82 -8.088 -7.744 -4.572 1.00 12.51 H new ATOM 0 HA GLN A 82 -9.744 -9.918 -3.798 1.00 63.02 H new ATOM 0 HB2 GLN A 82 -9.072 -8.515 -6.378 1.00 75.23 H new ATOM 0 HB3 GLN A 82 -9.821 -10.096 -6.487 1.00 75.23 H new ATOM 0 HG2 GLN A 82 -11.644 -8.607 -6.591 1.00 50.22 H new ATOM 0 HG3 GLN A 82 -11.669 -9.178 -4.934 1.00 50.22 H new ATOM 0 HE21 GLN A 82 -10.900 -7.749 -3.228 1.00 42.42 H new ATOM 0 HE22 GLN A 82 -10.886 -6.000 -3.477 1.00 42.42 H new ATOM 1341 N ASP A 83 -6.849 -10.682 -5.253 1.00 31.04 N ATOM 1342 CA ASP A 83 -5.848 -11.757 -5.433 1.00 14.31 C ATOM 1343 C ASP A 83 -5.379 -12.314 -4.072 1.00 41.42 C ATOM 1344 O ASP A 83 -4.984 -13.480 -3.981 1.00 32.14 O ATOM 1345 CB ASP A 83 -4.613 -11.250 -6.243 1.00 61.15 C ATOM 1346 CG ASP A 83 -4.867 -11.053 -7.752 1.00 1.22 C ATOM 1347 OD1 ASP A 83 -4.899 -12.063 -8.492 1.00 44.54 O ATOM 1348 OD2 ASP A 83 -4.997 -9.896 -8.219 1.00 0.34 O ATOM 0 H ASP A 83 -6.510 -9.757 -5.518 1.00 31.04 H new ATOM 0 HA ASP A 83 -6.332 -12.556 -5.994 1.00 14.31 H new ATOM 0 HB2 ASP A 83 -4.281 -10.303 -5.818 1.00 61.15 H new ATOM 0 HB3 ASP A 83 -3.796 -11.960 -6.116 1.00 61.15 H new ATOM 1353 N ALA A 84 -5.378 -11.451 -3.033 1.00 64.11 N ATOM 1354 CA ALA A 84 -5.022 -11.841 -1.655 1.00 65.30 C ATOM 1355 C ALA A 84 -6.070 -12.792 -1.065 1.00 0.13 C ATOM 1356 O ALA A 84 -5.715 -13.825 -0.486 1.00 70.43 O ATOM 1357 CB ALA A 84 -4.840 -10.598 -0.771 1.00 71.25 C ATOM 0 H ALA A 84 -5.624 -10.466 -3.128 1.00 64.11 H new ATOM 0 HA ALA A 84 -4.072 -12.375 -1.686 1.00 65.30 H new ATOM 0 HB1 ALA A 84 -4.578 -10.906 0.241 1.00 71.25 H new ATOM 0 HB2 ALA A 84 -4.043 -9.975 -1.178 1.00 71.25 H new ATOM 0 HB3 ALA A 84 -5.769 -10.029 -0.748 1.00 71.25 H new ATOM 1363 N TYR A 85 -7.357 -12.420 -1.202 1.00 25.51 N ATOM 1364 CA TYR A 85 -8.475 -13.280 -0.775 1.00 33.13 C ATOM 1365 C TYR A 85 -8.538 -14.573 -1.616 1.00 62.41 C ATOM 1366 O TYR A 85 -8.889 -15.640 -1.092 1.00 12.42 O ATOM 1367 CB TYR A 85 -9.832 -12.512 -0.837 1.00 1.14 C ATOM 1368 CG TYR A 85 -10.073 -11.543 0.344 1.00 24.30 C ATOM 1369 CD1 TYR A 85 -10.359 -12.035 1.623 1.00 33.54 C ATOM 1370 CD2 TYR A 85 -10.008 -10.156 0.191 1.00 51.24 C ATOM 1371 CE1 TYR A 85 -10.566 -11.184 2.691 1.00 32.22 C ATOM 1372 CE2 TYR A 85 -10.222 -9.303 1.264 1.00 53.14 C ATOM 1373 CZ TYR A 85 -10.491 -9.823 2.508 1.00 53.31 C ATOM 1374 OH TYR A 85 -10.690 -8.980 3.582 1.00 73.53 O ATOM 0 H TYR A 85 -7.647 -11.529 -1.605 1.00 25.51 H new ATOM 0 HA TYR A 85 -8.295 -13.563 0.262 1.00 33.13 H new ATOM 0 HB2 TYR A 85 -9.874 -11.947 -1.768 1.00 1.14 H new ATOM 0 HB3 TYR A 85 -10.645 -13.237 -0.867 1.00 1.14 H new ATOM 0 HD1 TYR A 85 -10.419 -13.102 1.778 1.00 33.54 H new ATOM 0 HD2 TYR A 85 -9.787 -9.740 -0.781 1.00 51.24 H new ATOM 0 HE1 TYR A 85 -10.786 -11.587 3.669 1.00 32.22 H new ATOM 0 HE2 TYR A 85 -10.177 -8.233 1.122 1.00 53.14 H new ATOM 0 HH TYR A 85 -10.603 -8.049 3.288 1.00 73.53 H new ATOM 1384 N GLU A 86 -8.195 -14.480 -2.921 1.00 44.41 N ATOM 1385 CA GLU A 86 -8.266 -15.637 -3.835 1.00 70.41 C ATOM 1386 C GLU A 86 -6.898 -16.350 -3.912 1.00 53.02 C ATOM 1387 O GLU A 86 -6.090 -16.073 -4.809 1.00 50.02 O ATOM 1388 CB GLU A 86 -8.770 -15.223 -5.259 1.00 32.25 C ATOM 1389 CG GLU A 86 -9.458 -16.354 -6.084 1.00 11.03 C ATOM 1390 CD GLU A 86 -8.572 -17.592 -6.378 1.00 31.41 C ATOM 1391 OE1 GLU A 86 -7.773 -17.557 -7.336 1.00 34.34 O ATOM 1392 OE2 GLU A 86 -8.656 -18.595 -5.626 1.00 62.14 O ATOM 0 H GLU A 86 -7.868 -13.619 -3.361 1.00 44.41 H new ATOM 0 HA GLU A 86 -8.996 -16.337 -3.429 1.00 70.41 H new ATOM 0 HB2 GLU A 86 -9.473 -14.398 -5.150 1.00 32.25 H new ATOM 0 HB3 GLU A 86 -7.922 -14.846 -5.830 1.00 32.25 H new ATOM 0 HG2 GLU A 86 -10.347 -16.683 -5.547 1.00 11.03 H new ATOM 0 HG3 GLU A 86 -9.795 -15.936 -7.032 1.00 11.03 H new ATOM 1399 N ARG A 87 -6.659 -17.242 -2.941 1.00 51.22 N ATOM 1400 CA ARG A 87 -5.668 -18.328 -3.055 1.00 63.25 C ATOM 1401 C ARG A 87 -5.786 -19.234 -1.835 1.00 63.02 C ATOM 1402 O ARG A 87 -5.839 -20.469 -1.946 1.00 22.32 O ATOM 1403 CB ARG A 87 -4.191 -17.834 -3.210 1.00 1.43 C ATOM 1404 CG ARG A 87 -3.216 -18.918 -3.756 1.00 40.14 C ATOM 1405 CD ARG A 87 -3.341 -19.144 -5.291 1.00 34.14 C ATOM 1406 NE ARG A 87 -4.732 -19.398 -5.745 1.00 54.14 N ATOM 1407 CZ ARG A 87 -5.283 -20.601 -5.992 1.00 11.12 C ATOM 1408 NH1 ARG A 87 -4.576 -21.727 -5.855 1.00 0.13 N ATOM 1409 NH2 ARG A 87 -6.555 -20.671 -6.388 1.00 23.14 N ATOM 0 H ARG A 87 -7.150 -17.233 -2.047 1.00 51.22 H new ATOM 0 HA ARG A 87 -5.897 -18.868 -3.974 1.00 63.25 H new ATOM 0 HB2 ARG A 87 -4.174 -16.974 -3.880 1.00 1.43 H new ATOM 0 HB3 ARG A 87 -3.830 -17.490 -2.241 1.00 1.43 H new ATOM 0 HG2 ARG A 87 -2.192 -18.627 -3.521 1.00 40.14 H new ATOM 0 HG3 ARG A 87 -3.406 -19.860 -3.241 1.00 40.14 H new ATOM 0 HD2 ARG A 87 -2.952 -18.268 -5.811 1.00 34.14 H new ATOM 0 HD3 ARG A 87 -2.715 -19.989 -5.577 1.00 34.14 H new ATOM 0 HE ARG A 87 -5.328 -18.582 -5.883 1.00 54.14 H new ATOM 0 HH11 ARG A 87 -3.601 -21.684 -5.558 1.00 0.13 H new ATOM 0 HH12 ARG A 87 -5.011 -22.629 -6.047 1.00 0.13 H new ATOM 0 HH21 ARG A 87 -7.102 -19.817 -6.501 1.00 23.14 H new ATOM 0 HH22 ARG A 87 -6.981 -21.578 -6.578 1.00 23.14 H new ATOM 1423 N SER A 88 -5.830 -18.586 -0.669 1.00 40.21 N ATOM 1424 CA SER A 88 -5.997 -19.232 0.640 1.00 30.32 C ATOM 1425 C SER A 88 -6.811 -18.296 1.557 1.00 1.41 C ATOM 1426 O SER A 88 -7.113 -17.167 1.170 1.00 0.12 O ATOM 1427 CB SER A 88 -4.603 -19.523 1.270 1.00 65.03 C ATOM 1428 OG SER A 88 -3.819 -20.351 0.425 1.00 3.24 O ATOM 0 H SER A 88 -5.749 -17.571 -0.605 1.00 40.21 H new ATOM 0 HA SER A 88 -6.526 -20.177 0.521 1.00 30.32 H new ATOM 0 HB2 SER A 88 -4.080 -18.584 1.450 1.00 65.03 H new ATOM 0 HB3 SER A 88 -4.733 -20.007 2.238 1.00 65.03 H new ATOM 0 HG SER A 88 -2.949 -20.516 0.845 1.00 3.24 H new ATOM 1434 N GLU A 89 -7.236 -18.820 2.719 1.00 64.53 N ATOM 1435 CA GLU A 89 -7.528 -18.020 3.917 1.00 52.11 C ATOM 1436 C GLU A 89 -7.548 -18.971 5.126 1.00 55.45 C ATOM 1437 O GLU A 89 -8.289 -19.965 5.150 1.00 11.22 O ATOM 1438 CB GLU A 89 -8.813 -17.102 3.809 1.00 50.40 C ATOM 1439 CG GLU A 89 -10.221 -17.770 3.836 1.00 71.34 C ATOM 1440 CD GLU A 89 -10.770 -18.068 5.254 1.00 30.32 C ATOM 1441 OE1 GLU A 89 -10.773 -17.153 6.105 1.00 33.44 O ATOM 1442 OE2 GLU A 89 -11.207 -19.212 5.516 1.00 71.04 O ATOM 0 H GLU A 89 -7.387 -19.820 2.853 1.00 64.53 H new ATOM 0 HA GLU A 89 -6.735 -17.282 4.040 1.00 52.11 H new ATOM 0 HB2 GLU A 89 -8.774 -16.383 4.627 1.00 50.40 H new ATOM 0 HB3 GLU A 89 -8.735 -16.534 2.882 1.00 50.40 H new ATOM 0 HG2 GLU A 89 -10.926 -17.120 3.317 1.00 71.34 H new ATOM 0 HG3 GLU A 89 -10.176 -18.704 3.275 1.00 71.34 H new ATOM 1449 N SER A 90 -6.627 -18.718 6.057 1.00 22.24 N ATOM 1450 CA SER A 90 -6.553 -19.391 7.360 1.00 75.21 C ATOM 1451 C SER A 90 -5.776 -18.486 8.347 1.00 52.24 C ATOM 1452 O SER A 90 -5.950 -18.591 9.568 1.00 63.42 O ATOM 1453 CB SER A 90 -5.924 -20.804 7.224 1.00 15.31 C ATOM 1454 OG SER A 90 -4.640 -20.761 6.617 1.00 34.41 O ATOM 0 H SER A 90 -5.893 -18.023 5.925 1.00 22.24 H new ATOM 0 HA SER A 90 -7.557 -19.547 7.755 1.00 75.21 H new ATOM 0 HB2 SER A 90 -5.843 -21.261 8.210 1.00 15.31 H new ATOM 0 HB3 SER A 90 -6.583 -21.439 6.632 1.00 15.31 H new ATOM 0 HG SER A 90 -4.637 -20.088 5.904 1.00 34.41 H new ATOM 1460 N LEU A 91 -4.921 -17.595 7.779 1.00 60.33 N ATOM 1461 CA LEU A 91 -4.299 -16.458 8.499 1.00 21.32 C ATOM 1462 C LEU A 91 -3.750 -15.455 7.449 1.00 44.34 C ATOM 1463 O LEU A 91 -4.042 -14.265 7.511 1.00 53.11 O ATOM 1464 CB LEU A 91 -3.147 -16.945 9.454 1.00 30.11 C ATOM 1465 CG LEU A 91 -2.851 -16.109 10.758 1.00 32.12 C ATOM 1466 CD1 LEU A 91 -1.577 -16.646 11.444 1.00 45.33 C ATOM 1467 CD2 LEU A 91 -2.750 -14.582 10.519 1.00 75.31 C ATOM 0 H LEU A 91 -4.643 -17.649 6.799 1.00 60.33 H new ATOM 0 HA LEU A 91 -5.049 -15.974 9.124 1.00 21.32 H new ATOM 0 HB2 LEU A 91 -3.378 -17.966 9.759 1.00 30.11 H new ATOM 0 HB3 LEU A 91 -2.227 -16.987 8.870 1.00 30.11 H new ATOM 0 HG LEU A 91 -3.711 -16.241 11.415 1.00 32.12 H new ATOM 0 HD11 LEU A 91 -1.376 -16.065 12.344 1.00 45.33 H new ATOM 0 HD12 LEU A 91 -1.722 -17.693 11.712 1.00 45.33 H new ATOM 0 HD13 LEU A 91 -0.732 -16.560 10.761 1.00 45.33 H new ATOM 0 HD21 LEU A 91 -2.545 -14.079 11.464 1.00 75.31 H new ATOM 0 HD22 LEU A 91 -1.943 -14.376 9.816 1.00 75.31 H new ATOM 0 HD23 LEU A 91 -3.691 -14.215 10.109 1.00 75.31 H new ATOM 1479 N GLU A 92 -2.998 -16.015 6.484 1.00 1.44 N ATOM 1480 CA GLU A 92 -2.180 -15.310 5.446 1.00 55.21 C ATOM 1481 C GLU A 92 -2.776 -13.960 4.957 1.00 45.55 C ATOM 1482 O GLU A 92 -2.095 -12.929 4.941 1.00 64.22 O ATOM 1483 CB GLU A 92 -1.987 -16.226 4.185 1.00 3.12 C ATOM 1484 CG GLU A 92 -1.467 -17.679 4.420 1.00 42.14 C ATOM 1485 CD GLU A 92 -2.485 -18.627 5.094 1.00 11.42 C ATOM 1486 OE1 GLU A 92 -3.573 -18.863 4.519 1.00 42.33 O ATOM 1487 OE2 GLU A 92 -2.250 -19.043 6.253 1.00 20.12 O ATOM 0 H GLU A 92 -2.932 -17.029 6.391 1.00 1.44 H new ATOM 0 HA GLU A 92 -1.235 -15.093 5.943 1.00 55.21 H new ATOM 0 HB2 GLU A 92 -2.944 -16.291 3.668 1.00 3.12 H new ATOM 0 HB3 GLU A 92 -1.293 -15.726 3.510 1.00 3.12 H new ATOM 0 HG2 GLU A 92 -1.174 -18.105 3.461 1.00 42.14 H new ATOM 0 HG3 GLU A 92 -0.569 -17.634 5.037 1.00 42.14 H new ATOM 1494 N VAL A 93 -4.059 -14.008 4.576 1.00 54.44 N ATOM 1495 CA VAL A 93 -4.759 -12.895 3.909 1.00 52.41 C ATOM 1496 C VAL A 93 -4.871 -11.650 4.817 1.00 53.35 C ATOM 1497 O VAL A 93 -4.774 -10.520 4.321 1.00 33.24 O ATOM 1498 CB VAL A 93 -6.187 -13.355 3.448 1.00 3.14 C ATOM 1499 CG1 VAL A 93 -6.899 -12.285 2.596 1.00 32.24 C ATOM 1500 CG2 VAL A 93 -6.100 -14.696 2.696 1.00 12.54 C ATOM 0 H VAL A 93 -4.649 -14.827 4.722 1.00 54.44 H new ATOM 0 HA VAL A 93 -4.167 -12.613 3.038 1.00 52.41 H new ATOM 0 HB VAL A 93 -6.792 -13.494 4.344 1.00 3.14 H new ATOM 0 HG11 VAL A 93 -7.883 -12.650 2.301 1.00 32.24 H new ATOM 0 HG12 VAL A 93 -7.011 -11.371 3.179 1.00 32.24 H new ATOM 0 HG13 VAL A 93 -6.307 -12.077 1.705 1.00 32.24 H new ATOM 0 HG21 VAL A 93 -7.098 -15.003 2.382 1.00 12.54 H new ATOM 0 HG22 VAL A 93 -5.463 -14.581 1.819 1.00 12.54 H new ATOM 0 HG23 VAL A 93 -5.677 -15.455 3.354 1.00 12.54 H new ATOM 1510 N ALA A 94 -5.040 -11.886 6.141 1.00 74.21 N ATOM 1511 CA ALA A 94 -5.173 -10.830 7.167 1.00 62.43 C ATOM 1512 C ALA A 94 -4.074 -9.771 7.015 1.00 24.34 C ATOM 1513 O ALA A 94 -4.382 -8.589 6.843 1.00 44.11 O ATOM 1514 CB ALA A 94 -5.144 -11.439 8.577 1.00 71.42 C ATOM 0 H ALA A 94 -5.088 -12.828 6.528 1.00 74.21 H new ATOM 0 HA ALA A 94 -6.136 -10.340 7.022 1.00 62.43 H new ATOM 0 HB1 ALA A 94 -5.243 -10.646 9.318 1.00 71.42 H new ATOM 0 HB2 ALA A 94 -5.969 -12.143 8.686 1.00 71.42 H new ATOM 0 HB3 ALA A 94 -4.199 -11.961 8.729 1.00 71.42 H new ATOM 1520 N PHE A 95 -2.807 -10.251 6.961 1.00 61.52 N ATOM 1521 CA PHE A 95 -1.613 -9.406 6.779 1.00 23.34 C ATOM 1522 C PHE A 95 -1.746 -8.523 5.513 1.00 1.24 C ATOM 1523 O PHE A 95 -1.805 -7.291 5.613 1.00 13.44 O ATOM 1524 CB PHE A 95 -0.331 -10.303 6.698 1.00 55.14 C ATOM 1525 CG PHE A 95 0.952 -9.537 6.327 1.00 45.23 C ATOM 1526 CD1 PHE A 95 1.686 -8.854 7.298 1.00 75.13 C ATOM 1527 CD2 PHE A 95 1.393 -9.463 4.998 1.00 21.21 C ATOM 1528 CE1 PHE A 95 2.807 -8.119 6.950 1.00 0.12 C ATOM 1529 CE2 PHE A 95 2.517 -8.742 4.659 1.00 60.20 C ATOM 1530 CZ PHE A 95 3.217 -8.063 5.634 1.00 53.32 C ATOM 0 H PHE A 95 -2.589 -11.244 7.044 1.00 61.52 H new ATOM 0 HA PHE A 95 -1.523 -8.742 7.639 1.00 23.34 H new ATOM 0 HB2 PHE A 95 -0.183 -10.793 7.660 1.00 55.14 H new ATOM 0 HB3 PHE A 95 -0.497 -11.089 5.962 1.00 55.14 H new ATOM 0 HD1 PHE A 95 1.376 -8.899 8.332 1.00 75.13 H new ATOM 0 HD2 PHE A 95 0.842 -9.980 4.227 1.00 21.21 H new ATOM 0 HE1 PHE A 95 3.361 -7.589 7.710 1.00 0.12 H new ATOM 0 HE2 PHE A 95 2.849 -8.709 3.632 1.00 60.20 H new ATOM 0 HZ PHE A 95 4.089 -7.485 5.366 1.00 53.32 H new ATOM 1540 N VAL A 96 -1.858 -9.194 4.345 1.00 35.02 N ATOM 1541 CA VAL A 96 -1.809 -8.547 3.019 1.00 55.24 C ATOM 1542 C VAL A 96 -2.901 -7.466 2.877 1.00 63.05 C ATOM 1543 O VAL A 96 -2.609 -6.302 2.589 1.00 70.30 O ATOM 1544 CB VAL A 96 -1.940 -9.614 1.854 1.00 62.31 C ATOM 1545 CG1 VAL A 96 -1.922 -8.937 0.466 1.00 14.31 C ATOM 1546 CG2 VAL A 96 -0.842 -10.708 1.951 1.00 62.01 C ATOM 0 H VAL A 96 -1.986 -10.205 4.298 1.00 35.02 H new ATOM 0 HA VAL A 96 -0.837 -8.062 2.935 1.00 55.24 H new ATOM 0 HB VAL A 96 -2.906 -10.105 1.976 1.00 62.31 H new ATOM 0 HG11 VAL A 96 -2.014 -9.696 -0.310 1.00 14.31 H new ATOM 0 HG12 VAL A 96 -2.756 -8.239 0.391 1.00 14.31 H new ATOM 0 HG13 VAL A 96 -0.984 -8.397 0.337 1.00 14.31 H new ATOM 0 HG21 VAL A 96 -0.965 -11.421 1.135 1.00 62.01 H new ATOM 0 HG22 VAL A 96 0.142 -10.243 1.881 1.00 62.01 H new ATOM 0 HG23 VAL A 96 -0.931 -11.229 2.904 1.00 62.01 H new ATOM 1556 N THR A 97 -4.141 -7.853 3.156 1.00 32.14 N ATOM 1557 CA THR A 97 -5.305 -6.978 2.982 1.00 74.14 C ATOM 1558 C THR A 97 -5.360 -5.857 4.036 1.00 33.23 C ATOM 1559 O THR A 97 -5.854 -4.769 3.728 1.00 42.45 O ATOM 1560 CB THR A 97 -6.618 -7.809 2.976 1.00 71.11 C ATOM 1561 OG1 THR A 97 -6.747 -8.548 4.200 1.00 34.14 O ATOM 1562 CG2 THR A 97 -6.650 -8.789 1.798 1.00 32.42 C ATOM 0 H THR A 97 -4.372 -8.781 3.509 1.00 32.14 H new ATOM 0 HA THR A 97 -5.200 -6.489 2.013 1.00 74.14 H new ATOM 0 HB THR A 97 -7.448 -7.109 2.877 1.00 71.11 H new ATOM 0 HG1 THR A 97 -6.107 -9.290 4.203 1.00 34.14 H new ATOM 0 HG21 THR A 97 -7.581 -9.356 1.821 1.00 32.42 H new ATOM 0 HG22 THR A 97 -6.586 -8.235 0.862 1.00 32.42 H new ATOM 0 HG23 THR A 97 -5.806 -9.475 1.872 1.00 32.42 H new ATOM 1570 N GLN A 98 -4.834 -6.109 5.257 1.00 71.14 N ATOM 1571 CA GLN A 98 -4.726 -5.059 6.292 1.00 10.35 C ATOM 1572 C GLN A 98 -3.711 -3.988 5.856 1.00 72.12 C ATOM 1573 O GLN A 98 -3.928 -2.797 6.069 1.00 31.42 O ATOM 1574 CB GLN A 98 -4.312 -5.664 7.658 1.00 43.23 C ATOM 1575 CG GLN A 98 -4.293 -4.667 8.833 1.00 3.41 C ATOM 1576 CD GLN A 98 -5.653 -3.998 9.092 1.00 53.24 C ATOM 1577 OE1 GLN A 98 -5.949 -2.930 8.559 1.00 74.31 O ATOM 1578 NE2 GLN A 98 -6.492 -4.630 9.896 1.00 74.44 N ATOM 0 H GLN A 98 -4.481 -7.021 5.546 1.00 71.14 H new ATOM 0 HA GLN A 98 -5.705 -4.595 6.409 1.00 10.35 H new ATOM 0 HB2 GLN A 98 -4.997 -6.476 7.901 1.00 43.23 H new ATOM 0 HB3 GLN A 98 -3.320 -6.103 7.558 1.00 43.23 H new ATOM 0 HG2 GLN A 98 -3.976 -5.188 9.736 1.00 3.41 H new ATOM 0 HG3 GLN A 98 -3.550 -3.895 8.632 1.00 3.41 H new ATOM 0 HE21 GLN A 98 -6.219 -5.515 10.324 1.00 74.44 H new ATOM 0 HE22 GLN A 98 -7.412 -4.233 10.088 1.00 74.44 H new ATOM 1587 N LEU A 99 -2.601 -4.435 5.239 1.00 61.44 N ATOM 1588 CA LEU A 99 -1.561 -3.533 4.713 1.00 24.43 C ATOM 1589 C LEU A 99 -2.085 -2.693 3.525 1.00 52.31 C ATOM 1590 O LEU A 99 -1.839 -1.487 3.473 1.00 13.35 O ATOM 1591 CB LEU A 99 -0.269 -4.320 4.335 1.00 2.11 C ATOM 1592 CG LEU A 99 0.824 -4.436 5.447 1.00 73.22 C ATOM 1593 CD1 LEU A 99 0.359 -5.294 6.642 1.00 62.10 C ATOM 1594 CD2 LEU A 99 2.153 -4.944 4.848 1.00 12.52 C ATOM 0 H LEU A 99 -2.401 -5.424 5.092 1.00 61.44 H new ATOM 0 HA LEU A 99 -1.298 -2.835 5.508 1.00 24.43 H new ATOM 0 HB2 LEU A 99 -0.558 -5.327 4.034 1.00 2.11 H new ATOM 0 HB3 LEU A 99 0.179 -3.843 3.464 1.00 2.11 H new ATOM 0 HG LEU A 99 0.996 -3.437 5.847 1.00 73.22 H new ATOM 0 HD11 LEU A 99 1.154 -5.343 7.386 1.00 62.10 H new ATOM 0 HD12 LEU A 99 -0.528 -4.845 7.088 1.00 62.10 H new ATOM 0 HD13 LEU A 99 0.122 -6.301 6.297 1.00 62.10 H new ATOM 0 HD21 LEU A 99 2.902 -5.019 5.636 1.00 12.52 H new ATOM 0 HD22 LEU A 99 1.999 -5.926 4.400 1.00 12.52 H new ATOM 0 HD23 LEU A 99 2.498 -4.247 4.084 1.00 12.52 H new ATOM 1606 N VAL A 100 -2.820 -3.342 2.597 1.00 54.14 N ATOM 1607 CA VAL A 100 -3.502 -2.660 1.477 1.00 52.11 C ATOM 1608 C VAL A 100 -4.460 -1.571 2.015 1.00 12.41 C ATOM 1609 O VAL A 100 -4.430 -0.410 1.576 1.00 53.43 O ATOM 1610 CB VAL A 100 -4.314 -3.699 0.600 1.00 43.04 C ATOM 1611 CG1 VAL A 100 -5.305 -3.005 -0.367 1.00 45.01 C ATOM 1612 CG2 VAL A 100 -3.369 -4.652 -0.172 1.00 32.13 C ATOM 0 H VAL A 100 -2.957 -4.353 2.603 1.00 54.14 H new ATOM 0 HA VAL A 100 -2.742 -2.191 0.852 1.00 52.11 H new ATOM 0 HB VAL A 100 -4.904 -4.296 1.295 1.00 43.04 H new ATOM 0 HG11 VAL A 100 -5.837 -3.760 -0.946 1.00 45.01 H new ATOM 0 HG12 VAL A 100 -6.021 -2.416 0.206 1.00 45.01 H new ATOM 0 HG13 VAL A 100 -4.755 -2.350 -1.043 1.00 45.01 H new ATOM 0 HG21 VAL A 100 -3.961 -5.351 -0.763 1.00 32.13 H new ATOM 0 HG22 VAL A 100 -2.727 -4.070 -0.834 1.00 32.13 H new ATOM 0 HG23 VAL A 100 -2.753 -5.206 0.536 1.00 32.13 H new ATOM 1622 N LYS A 101 -5.272 -1.979 3.006 1.00 51.24 N ATOM 1623 CA LYS A 101 -6.325 -1.150 3.596 1.00 11.01 C ATOM 1624 C LYS A 101 -5.747 0.086 4.296 1.00 0.12 C ATOM 1625 O LYS A 101 -6.181 1.207 4.026 1.00 22.12 O ATOM 1626 CB LYS A 101 -7.146 -2.016 4.570 1.00 1.53 C ATOM 1627 CG LYS A 101 -8.408 -1.348 5.148 1.00 21.15 C ATOM 1628 CD LYS A 101 -9.367 -2.380 5.783 1.00 61.33 C ATOM 1629 CE LYS A 101 -9.860 -3.433 4.761 1.00 73.24 C ATOM 1630 NZ LYS A 101 -10.806 -4.414 5.370 1.00 20.44 N ATOM 0 H LYS A 101 -5.210 -2.908 3.422 1.00 51.24 H new ATOM 0 HA LYS A 101 -6.975 -0.778 2.804 1.00 11.01 H new ATOM 0 HB2 LYS A 101 -7.443 -2.929 4.055 1.00 1.53 H new ATOM 0 HB3 LYS A 101 -6.501 -2.312 5.398 1.00 1.53 H new ATOM 0 HG2 LYS A 101 -8.118 -0.612 5.898 1.00 21.15 H new ATOM 0 HG3 LYS A 101 -8.928 -0.808 4.356 1.00 21.15 H new ATOM 0 HD2 LYS A 101 -8.860 -2.885 6.605 1.00 61.33 H new ATOM 0 HD3 LYS A 101 -10.226 -1.861 6.208 1.00 61.33 H new ATOM 0 HE2 LYS A 101 -10.350 -2.927 3.929 1.00 73.24 H new ATOM 0 HE3 LYS A 101 -9.003 -3.966 4.349 1.00 73.24 H new ATOM 0 HZ1 LYS A 101 -11.109 -5.099 4.648 1.00 20.44 H new ATOM 0 HZ2 LYS A 101 -10.332 -4.917 6.147 1.00 20.44 H new ATOM 0 HZ3 LYS A 101 -11.638 -3.911 5.740 1.00 20.44 H new ATOM 1644 N LYS A 102 -4.740 -0.130 5.157 1.00 24.24 N ATOM 1645 CA LYS A 102 -4.077 0.954 5.889 1.00 31.54 C ATOM 1646 C LYS A 102 -3.351 1.905 4.923 1.00 5.23 C ATOM 1647 O LYS A 102 -3.453 3.115 5.084 1.00 42.31 O ATOM 1648 CB LYS A 102 -3.084 0.400 6.943 1.00 24.33 C ATOM 1649 CG LYS A 102 -3.735 -0.295 8.159 1.00 20.24 C ATOM 1650 CD LYS A 102 -4.591 0.667 9.012 1.00 5.11 C ATOM 1651 CE LYS A 102 -5.154 -0.011 10.271 1.00 11.10 C ATOM 1652 NZ LYS A 102 -4.075 -0.585 11.126 1.00 32.23 N ATOM 0 H LYS A 102 -4.366 -1.056 5.363 1.00 24.24 H new ATOM 0 HA LYS A 102 -4.851 1.514 6.414 1.00 31.54 H new ATOM 0 HB2 LYS A 102 -2.418 -0.310 6.453 1.00 24.33 H new ATOM 0 HB3 LYS A 102 -2.465 1.222 7.303 1.00 24.33 H new ATOM 0 HG2 LYS A 102 -4.360 -1.117 7.810 1.00 20.24 H new ATOM 0 HG3 LYS A 102 -2.955 -0.730 8.783 1.00 20.24 H new ATOM 0 HD2 LYS A 102 -3.986 1.525 9.304 1.00 5.11 H new ATOM 0 HD3 LYS A 102 -5.415 1.048 8.409 1.00 5.11 H new ATOM 0 HE2 LYS A 102 -5.727 0.715 10.848 1.00 11.10 H new ATOM 0 HE3 LYS A 102 -5.845 -0.802 9.979 1.00 11.10 H new ATOM 0 HZ1 LYS A 102 -4.462 -0.818 12.063 1.00 32.23 H new ATOM 0 HZ2 LYS A 102 -3.702 -1.448 10.681 1.00 32.23 H new ATOM 0 HZ3 LYS A 102 -3.309 0.110 11.231 1.00 32.23 H new ATOM 1666 N LEU A 103 -2.646 1.346 3.905 1.00 23.25 N ATOM 1667 CA LEU A 103 -1.930 2.155 2.890 1.00 24.41 C ATOM 1668 C LEU A 103 -2.920 3.089 2.171 1.00 74.53 C ATOM 1669 O LEU A 103 -2.613 4.260 1.964 1.00 71.22 O ATOM 1670 CB LEU A 103 -1.169 1.230 1.882 1.00 54.24 C ATOM 1671 CG LEU A 103 -0.088 1.887 0.928 1.00 74.32 C ATOM 1672 CD1 LEU A 103 -0.701 2.565 -0.324 1.00 20.42 C ATOM 1673 CD2 LEU A 103 0.817 2.878 1.705 1.00 30.44 C ATOM 0 H LEU A 103 -2.560 0.339 3.768 1.00 23.25 H new ATOM 0 HA LEU A 103 -1.183 2.773 3.388 1.00 24.41 H new ATOM 0 HB2 LEU A 103 -0.673 0.448 2.457 1.00 54.24 H new ATOM 0 HB3 LEU A 103 -1.913 0.740 1.254 1.00 54.24 H new ATOM 0 HG LEU A 103 0.526 1.065 0.561 1.00 74.32 H new ATOM 0 HD11 LEU A 103 0.095 2.994 -0.932 1.00 20.42 H new ATOM 0 HD12 LEU A 103 -1.246 1.824 -0.909 1.00 20.42 H new ATOM 0 HD13 LEU A 103 -1.384 3.355 -0.012 1.00 20.42 H new ATOM 0 HD21 LEU A 103 1.549 3.313 1.024 1.00 30.44 H new ATOM 0 HD22 LEU A 103 0.204 3.671 2.134 1.00 30.44 H new ATOM 0 HD23 LEU A 103 1.335 2.348 2.504 1.00 30.44 H new ATOM 1685 N LEU A 104 -4.117 2.556 1.837 1.00 61.43 N ATOM 1686 CA LEU A 104 -5.202 3.338 1.203 1.00 24.10 C ATOM 1687 C LEU A 104 -5.703 4.466 2.140 1.00 25.44 C ATOM 1688 O LEU A 104 -5.798 5.626 1.718 1.00 41.12 O ATOM 1689 CB LEU A 104 -6.374 2.401 0.778 1.00 21.55 C ATOM 1690 CG LEU A 104 -7.682 3.093 0.245 1.00 12.12 C ATOM 1691 CD1 LEU A 104 -7.382 4.107 -0.885 1.00 42.34 C ATOM 1692 CD2 LEU A 104 -8.719 2.036 -0.211 1.00 2.43 C ATOM 0 H LEU A 104 -4.357 1.578 1.998 1.00 61.43 H new ATOM 0 HA LEU A 104 -4.799 3.811 0.307 1.00 24.10 H new ATOM 0 HB2 LEU A 104 -6.006 1.728 0.003 1.00 21.55 H new ATOM 0 HB3 LEU A 104 -6.642 1.783 1.635 1.00 21.55 H new ATOM 0 HG LEU A 104 -8.112 3.657 1.073 1.00 12.12 H new ATOM 0 HD11 LEU A 104 -8.313 4.561 -1.223 1.00 42.34 H new ATOM 0 HD12 LEU A 104 -6.715 4.883 -0.510 1.00 42.34 H new ATOM 0 HD13 LEU A 104 -6.906 3.592 -1.719 1.00 42.34 H new ATOM 0 HD21 LEU A 104 -9.615 2.539 -0.575 1.00 2.43 H new ATOM 0 HD22 LEU A 104 -8.293 1.429 -1.010 1.00 2.43 H new ATOM 0 HD23 LEU A 104 -8.980 1.395 0.631 1.00 2.43 H new ATOM 1704 N ILE A 105 -5.996 4.114 3.410 1.00 75.33 N ATOM 1705 CA ILE A 105 -6.528 5.063 4.423 1.00 54.43 C ATOM 1706 C ILE A 105 -5.478 6.165 4.763 1.00 45.24 C ATOM 1707 O ILE A 105 -5.839 7.275 5.174 1.00 1.14 O ATOM 1708 CB ILE A 105 -7.026 4.279 5.715 1.00 13.20 C ATOM 1709 CG1 ILE A 105 -8.195 3.300 5.336 1.00 5.32 C ATOM 1710 CG2 ILE A 105 -7.469 5.229 6.858 1.00 70.51 C ATOM 1711 CD1 ILE A 105 -8.680 2.385 6.460 1.00 4.20 C ATOM 0 H ILE A 105 -5.872 3.166 3.766 1.00 75.33 H new ATOM 0 HA ILE A 105 -7.394 5.575 4.003 1.00 54.43 H new ATOM 0 HB ILE A 105 -6.177 3.708 6.090 1.00 13.20 H new ATOM 0 HG12 ILE A 105 -9.040 3.891 4.983 1.00 5.32 H new ATOM 0 HG13 ILE A 105 -7.869 2.679 4.501 1.00 5.32 H new ATOM 0 HG21 ILE A 105 -7.799 4.640 7.714 1.00 70.51 H new ATOM 0 HG22 ILE A 105 -6.630 5.859 7.153 1.00 70.51 H new ATOM 0 HG23 ILE A 105 -8.290 5.857 6.512 1.00 70.51 H new ATOM 0 HD11 ILE A 105 -9.487 1.752 6.091 1.00 4.20 H new ATOM 0 HD12 ILE A 105 -7.855 1.760 6.801 1.00 4.20 H new ATOM 0 HD13 ILE A 105 -9.044 2.990 7.290 1.00 4.20 H new ATOM 1723 N ILE A 106 -4.181 5.850 4.557 1.00 54.31 N ATOM 1724 CA ILE A 106 -3.085 6.829 4.676 1.00 61.21 C ATOM 1725 C ILE A 106 -3.074 7.766 3.440 1.00 21.44 C ATOM 1726 O ILE A 106 -3.367 8.964 3.577 1.00 75.12 O ATOM 1727 CB ILE A 106 -1.687 6.093 4.849 1.00 23.13 C ATOM 1728 CG1 ILE A 106 -1.627 5.312 6.205 1.00 5.24 C ATOM 1729 CG2 ILE A 106 -0.493 7.067 4.738 1.00 61.31 C ATOM 1730 CD1 ILE A 106 -0.427 4.384 6.354 1.00 52.33 C ATOM 0 H ILE A 106 -3.868 4.913 4.305 1.00 54.31 H new ATOM 0 HA ILE A 106 -3.251 7.435 5.567 1.00 61.21 H new ATOM 0 HB ILE A 106 -1.605 5.380 4.028 1.00 23.13 H new ATOM 0 HG12 ILE A 106 -1.616 6.032 7.023 1.00 5.24 H new ATOM 0 HG13 ILE A 106 -2.539 4.724 6.311 1.00 5.24 H new ATOM 0 HG21 ILE A 106 0.439 6.516 4.863 1.00 61.31 H new ATOM 0 HG22 ILE A 106 -0.503 7.545 3.758 1.00 61.31 H new ATOM 0 HG23 ILE A 106 -0.571 7.828 5.514 1.00 61.31 H new ATOM 0 HD11 ILE A 106 -0.470 3.887 7.323 1.00 52.33 H new ATOM 0 HD12 ILE A 106 -0.445 3.636 5.561 1.00 52.33 H new ATOM 0 HD13 ILE A 106 0.493 4.965 6.285 1.00 52.33 H new ATOM 1742 N ILE A 107 -2.840 7.187 2.223 1.00 40.43 N ATOM 1743 CA ILE A 107 -2.563 7.973 0.981 1.00 3.13 C ATOM 1744 C ILE A 107 -3.747 8.871 0.585 1.00 31.50 C ATOM 1745 O ILE A 107 -3.578 9.908 -0.069 1.00 10.13 O ATOM 1746 CB ILE A 107 -2.064 7.060 -0.233 1.00 71.14 C ATOM 1747 CG1 ILE A 107 -3.077 5.926 -0.672 1.00 60.54 C ATOM 1748 CG2 ILE A 107 -0.693 6.426 0.126 1.00 42.15 C ATOM 1749 CD1 ILE A 107 -4.272 6.352 -1.520 1.00 73.31 C ATOM 0 H ILE A 107 -2.838 6.177 2.077 1.00 40.43 H new ATOM 0 HA ILE A 107 -1.732 8.636 1.222 1.00 3.13 H new ATOM 0 HB ILE A 107 -1.981 7.727 -1.091 1.00 71.14 H new ATOM 0 HG12 ILE A 107 -2.520 5.171 -1.227 1.00 60.54 H new ATOM 0 HG13 ILE A 107 -3.456 5.444 0.229 1.00 60.54 H new ATOM 0 HG21 ILE A 107 -0.352 5.803 -0.701 1.00 42.15 H new ATOM 0 HG22 ILE A 107 0.036 7.215 0.310 1.00 42.15 H new ATOM 0 HG23 ILE A 107 -0.799 5.814 1.021 1.00 42.15 H new ATOM 0 HD11 ILE A 107 -4.884 5.480 -1.750 1.00 73.31 H new ATOM 0 HD12 ILE A 107 -4.869 7.079 -0.969 1.00 73.31 H new ATOM 0 HD13 ILE A 107 -3.918 6.802 -2.448 1.00 73.31 H new ATOM 1761 N SER A 108 -4.941 8.444 0.985 1.00 4.21 N ATOM 1762 CA SER A 108 -6.168 9.224 0.881 1.00 43.55 C ATOM 1763 C SER A 108 -6.976 9.020 2.171 1.00 5.51 C ATOM 1764 O SER A 108 -7.751 8.062 2.285 1.00 41.52 O ATOM 1765 CB SER A 108 -6.985 8.812 -0.381 1.00 72.51 C ATOM 1766 OG SER A 108 -6.288 9.116 -1.588 1.00 62.52 O ATOM 0 H SER A 108 -5.085 7.524 1.400 1.00 4.21 H new ATOM 0 HA SER A 108 -5.931 10.282 0.766 1.00 43.55 H new ATOM 0 HB2 SER A 108 -7.197 7.743 -0.343 1.00 72.51 H new ATOM 0 HB3 SER A 108 -7.945 9.328 -0.376 1.00 72.51 H new ATOM 0 HG SER A 108 -6.830 8.842 -2.357 1.00 62.52 H new