USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 764 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 79 TYR OH : rot 180:sc=-0.00815 USER MOD Set 1.2: A 88 SER OG : rot 64:sc= 1.5 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.755 USER MOD Set 2.2: A 48 THR OG1 : rot 59:sc= 0.867 USER MOD Set 3.1: A 17 TYR OH : rot 147:sc= 0.0945 USER MOD Set 3.2: A 64 TYR OH : rot -9:sc= 0.442 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.739 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -13:sc= 1.15 USER MOD Single : A 51 MET CE :methyl 172:sc= -1.31 (180deg=-1.54) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 62 MET CE :methyl 157:sc= -0.237 (180deg=-0.937) USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= -0.164 (180deg=-0.834) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -2.11 K(o=-2.1,f=0) USER MOD Single : A 70 SER OG : rot 160:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 74 SER OG : rot 180:sc=-0.00331 USER MOD Single : A 78 GLN : amide:sc= -4.68! C(o=-4.7!,f=-4.1!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -143:sc= 1.21 (180deg=0.881) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 0.943 (180deg=0.854) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.701 K(o=-0.7,f=-2!) USER MOD Single : A 103 ASN : amide:sc=-0.00766 K(o=-0.0077,f=-0.77) USER MOD Single : A 105 GLN : amide:sc= -0.997 K(o=-1,f=-3.8!) USER MOD Single : A 107 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.09) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -146:sc= -4.36! (180deg=-6.16!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 6.830 12.020 -14.619 1.00 0.00 N ATOM 205 CA THR A 14 7.059 10.741 -13.977 1.00 0.00 C ATOM 206 C THR A 14 5.997 10.522 -12.890 1.00 0.00 C ATOM 207 O THR A 14 5.450 11.492 -12.357 1.00 0.00 O ATOM 208 CB THR A 14 8.489 10.689 -13.378 1.00 0.00 C ATOM 209 OG1 THR A 14 8.883 9.337 -13.123 1.00 0.00 O ATOM 210 CG2 THR A 14 8.584 11.493 -12.089 1.00 0.00 C ATOM 0 HA THR A 14 6.977 9.942 -14.714 1.00 0.00 H new ATOM 0 HB THR A 14 9.162 11.130 -14.114 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.788 9.325 -12.747 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.600 11.434 -11.697 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.332 12.534 -12.290 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.888 11.087 -11.355 1.00 0.00 H new ATOM 218 N PRO A 15 5.649 9.258 -12.581 1.00 0.00 N ATOM 219 CA PRO A 15 4.664 8.941 -11.541 1.00 0.00 C ATOM 220 C PRO A 15 5.044 9.537 -10.187 1.00 0.00 C ATOM 221 O PRO A 15 6.070 9.182 -9.610 1.00 0.00 O ATOM 222 CB PRO A 15 4.682 7.410 -11.478 1.00 0.00 C ATOM 223 CG PRO A 15 5.205 6.980 -12.804 1.00 0.00 C ATOM 224 CD PRO A 15 6.180 8.041 -13.225 1.00 0.00 C ATOM 0 HA PRO A 15 3.682 9.355 -11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.319 7.055 -10.668 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.684 7.010 -11.298 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.692 6.007 -12.735 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.397 6.882 -13.529 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.192 7.815 -12.888 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.221 8.144 -14.309 1.00 0.00 H new ATOM 232 N PHE A 16 4.211 10.438 -9.680 1.00 0.00 N ATOM 233 CA PHE A 16 4.487 11.118 -8.416 1.00 0.00 C ATOM 234 C PHE A 16 4.516 10.136 -7.246 1.00 0.00 C ATOM 235 O PHE A 16 5.219 10.352 -6.263 1.00 0.00 O ATOM 236 CB PHE A 16 3.450 12.223 -8.161 1.00 0.00 C ATOM 237 CG PHE A 16 2.021 11.747 -8.149 1.00 0.00 C ATOM 238 CD1 PHE A 16 1.283 11.701 -9.322 1.00 0.00 C ATOM 239 CD2 PHE A 16 1.413 11.355 -6.966 1.00 0.00 C ATOM 240 CE1 PHE A 16 -0.030 11.274 -9.316 1.00 0.00 C ATOM 241 CE2 PHE A 16 0.100 10.923 -6.953 1.00 0.00 C ATOM 242 CZ PHE A 16 -0.623 10.883 -8.128 1.00 0.00 C ATOM 0 H PHE A 16 3.336 10.717 -10.125 1.00 0.00 H new ATOM 0 HA PHE A 16 5.475 11.573 -8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.670 12.697 -7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.558 12.989 -8.928 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.741 12.003 -10.252 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.973 11.388 -6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.594 11.245 -10.237 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.359 10.617 -6.025 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.649 10.547 -8.120 1.00 0.00 H new ATOM 252 N TYR A 17 3.768 9.047 -7.368 1.00 0.00 N ATOM 253 CA TYR A 17 3.685 8.060 -6.304 1.00 0.00 C ATOM 254 C TYR A 17 4.830 7.052 -6.391 1.00 0.00 C ATOM 255 O TYR A 17 4.950 6.161 -5.553 1.00 0.00 O ATOM 256 CB TYR A 17 2.335 7.339 -6.354 1.00 0.00 C ATOM 257 CG TYR A 17 2.119 6.480 -7.586 1.00 0.00 C ATOM 258 CD1 TYR A 17 1.927 7.051 -8.838 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.100 5.093 -7.491 1.00 0.00 C ATOM 260 CE1 TYR A 17 1.725 6.265 -9.958 1.00 0.00 C ATOM 261 CE2 TYR A 17 1.896 4.301 -8.606 1.00 0.00 C ATOM 262 CZ TYR A 17 1.710 4.892 -9.837 1.00 0.00 C ATOM 263 OH TYR A 17 1.505 4.108 -10.950 1.00 0.00 O ATOM 0 H TYR A 17 3.211 8.827 -8.194 1.00 0.00 H new ATOM 0 HA TYR A 17 3.772 8.583 -5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.242 6.710 -5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.540 8.082 -6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.936 8.126 -8.938 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.247 4.626 -6.529 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.580 6.725 -10.924 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.883 3.225 -8.513 1.00 0.00 H new ATOM 0 HH TYR A 17 2.008 3.272 -10.858 1.00 0.00 H new ATOM 273 N TYR A 18 5.676 7.206 -7.397 1.00 0.00 N ATOM 274 CA TYR A 18 6.801 6.303 -7.595 1.00 0.00 C ATOM 275 C TYR A 18 7.897 6.608 -6.585 1.00 0.00 C ATOM 276 O TYR A 18 8.344 7.752 -6.460 1.00 0.00 O ATOM 277 CB TYR A 18 7.327 6.436 -9.025 1.00 0.00 C ATOM 278 CG TYR A 18 8.367 5.415 -9.431 1.00 0.00 C ATOM 279 CD1 TYR A 18 7.987 4.186 -9.958 1.00 0.00 C ATOM 280 CD2 TYR A 18 9.724 5.687 -9.316 1.00 0.00 C ATOM 281 CE1 TYR A 18 8.928 3.257 -10.352 1.00 0.00 C ATOM 282 CE2 TYR A 18 10.672 4.763 -9.712 1.00 0.00 C ATOM 283 CZ TYR A 18 10.268 3.548 -10.229 1.00 0.00 C ATOM 284 OH TYR A 18 11.208 2.624 -10.633 1.00 0.00 O ATOM 0 H TYR A 18 5.605 7.950 -8.091 1.00 0.00 H new ATOM 0 HA TYR A 18 6.471 5.276 -7.442 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.484 6.364 -9.712 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.753 7.432 -9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.937 3.954 -10.061 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.043 6.636 -8.911 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.615 2.305 -10.755 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.724 4.990 -9.618 1.00 0.00 H new ATOM 0 HH TYR A 18 12.107 2.984 -10.480 1.00 0.00 H new ATOM 294 N GLY A 19 8.303 5.587 -5.853 1.00 0.00 N ATOM 295 CA GLY A 19 9.320 5.758 -4.838 1.00 0.00 C ATOM 296 C GLY A 19 8.938 5.105 -3.525 1.00 0.00 C ATOM 297 O GLY A 19 8.102 4.198 -3.497 1.00 0.00 O ATOM 0 H GLY A 19 7.945 4.636 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.259 5.333 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.493 6.822 -4.675 1.00 0.00 H new ATOM 301 N THR A 20 9.549 5.565 -2.440 1.00 0.00 N ATOM 302 CA THR A 20 9.302 5.001 -1.120 1.00 0.00 C ATOM 303 C THR A 20 8.536 5.991 -0.241 1.00 0.00 C ATOM 304 O THR A 20 8.888 7.173 -0.170 1.00 0.00 O ATOM 305 CB THR A 20 10.632 4.634 -0.430 1.00 0.00 C ATOM 306 OG1 THR A 20 11.487 3.937 -1.349 1.00 0.00 O ATOM 307 CG2 THR A 20 10.390 3.763 0.795 1.00 0.00 C ATOM 0 H THR A 20 10.222 6.331 -2.450 1.00 0.00 H new ATOM 0 HA THR A 20 8.702 4.101 -1.251 1.00 0.00 H new ATOM 0 HB THR A 20 11.112 5.559 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.330 3.709 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.344 3.519 1.262 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.765 4.302 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.888 2.844 0.494 1.00 0.00 H new ATOM 315 N TRP A 21 7.486 5.511 0.419 1.00 0.00 N ATOM 316 CA TRP A 21 6.676 6.350 1.295 1.00 0.00 C ATOM 317 C TRP A 21 6.630 5.765 2.706 1.00 0.00 C ATOM 318 O TRP A 21 6.505 4.551 2.878 1.00 0.00 O ATOM 319 CB TRP A 21 5.255 6.477 0.741 1.00 0.00 C ATOM 320 CG TRP A 21 5.198 6.981 -0.670 1.00 0.00 C ATOM 321 CD1 TRP A 21 5.338 6.240 -1.808 1.00 0.00 C ATOM 322 CD2 TRP A 21 4.982 8.330 -1.092 1.00 0.00 C ATOM 323 NE1 TRP A 21 5.229 7.048 -2.912 1.00 0.00 N ATOM 324 CE2 TRP A 21 5.011 8.336 -2.499 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.769 9.535 -0.419 1.00 0.00 C ATOM 326 CZ2 TRP A 21 4.834 9.499 -3.242 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.592 10.688 -1.159 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.626 10.662 -2.557 1.00 0.00 C ATOM 0 H TRP A 21 7.176 4.541 0.363 1.00 0.00 H new ATOM 0 HA TRP A 21 7.132 7.339 1.339 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.768 5.503 0.789 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.685 7.150 1.381 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.509 5.174 -1.835 1.00 0.00 H new ATOM 0 HE1 TRP A 21 5.299 6.740 -3.882 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.743 9.565 0.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.860 9.483 -4.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.425 11.625 -0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.485 11.581 -3.106 1.00 0.00 H new ATOM 339 N ASP A 22 6.749 6.630 3.708 1.00 0.00 N ATOM 340 CA ASP A 22 6.711 6.200 5.108 1.00 0.00 C ATOM 341 C ASP A 22 5.372 6.523 5.762 1.00 0.00 C ATOM 342 O ASP A 22 4.904 7.663 5.711 1.00 0.00 O ATOM 343 CB ASP A 22 7.842 6.865 5.898 1.00 0.00 C ATOM 344 CG ASP A 22 7.757 6.610 7.393 1.00 0.00 C ATOM 345 OD1 ASP A 22 8.188 5.531 7.844 1.00 0.00 O ATOM 346 OD2 ASP A 22 7.270 7.497 8.123 1.00 0.00 O ATOM 0 H ASP A 22 6.873 7.634 3.580 1.00 0.00 H new ATOM 0 HA ASP A 22 6.842 5.118 5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.800 6.499 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.820 7.940 5.717 1.00 0.00 H new ATOM 351 N GLU A 23 4.767 5.511 6.379 1.00 0.00 N ATOM 352 CA GLU A 23 3.536 5.694 7.131 1.00 0.00 C ATOM 353 C GLU A 23 3.868 5.895 8.604 1.00 0.00 C ATOM 354 O GLU A 23 3.737 4.981 9.418 1.00 0.00 O ATOM 355 CB GLU A 23 2.605 4.488 6.983 1.00 0.00 C ATOM 356 CG GLU A 23 2.353 4.057 5.548 1.00 0.00 C ATOM 357 CD GLU A 23 1.388 2.890 5.463 1.00 0.00 C ATOM 358 OE1 GLU A 23 1.347 2.068 6.404 1.00 0.00 O ATOM 359 OE2 GLU A 23 0.654 2.789 4.459 1.00 0.00 O ATOM 0 H GLU A 23 5.114 4.552 6.370 1.00 0.00 H new ATOM 0 HA GLU A 23 3.024 6.571 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.030 3.648 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.649 4.724 7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.954 4.899 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.299 3.779 5.082 1.00 0.00 H new ATOM 366 N GLY A 24 4.341 7.080 8.932 1.00 0.00 N ATOM 367 CA GLY A 24 4.726 7.381 10.302 1.00 0.00 C ATOM 368 C GLY A 24 3.551 7.728 11.203 1.00 0.00 C ATOM 369 O GLY A 24 3.660 8.621 12.045 1.00 0.00 O ATOM 0 H GLY A 24 4.469 7.849 8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.252 6.522 10.720 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.429 8.214 10.298 1.00 0.00 H new ATOM 373 N ARG A 25 2.437 7.022 11.044 1.00 0.00 N ATOM 374 CA ARG A 25 1.267 7.236 11.880 1.00 0.00 C ATOM 375 C ARG A 25 0.312 6.058 11.733 1.00 0.00 C ATOM 376 O ARG A 25 0.406 5.306 10.762 1.00 0.00 O ATOM 377 CB ARG A 25 0.560 8.549 11.514 1.00 0.00 C ATOM 378 CG ARG A 25 -0.279 9.117 12.652 1.00 0.00 C ATOM 379 CD ARG A 25 -0.812 10.501 12.328 1.00 0.00 C ATOM 380 NE ARG A 25 -2.037 10.465 11.535 1.00 0.00 N ATOM 381 CZ ARG A 25 -2.425 11.456 10.734 1.00 0.00 C ATOM 382 NH1 ARG A 25 -1.621 12.494 10.515 1.00 0.00 N ATOM 383 NH2 ARG A 25 -3.613 11.406 10.146 1.00 0.00 N ATOM 0 H ARG A 25 2.322 6.294 10.339 1.00 0.00 H new ATOM 0 HA ARG A 25 1.589 7.311 12.919 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.307 9.286 11.219 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.081 8.380 10.648 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.113 8.446 12.858 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.324 9.164 13.559 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.002 11.039 13.257 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.050 11.061 11.786 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.628 9.636 11.598 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.705 12.532 10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.921 13.251 9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.229 10.609 10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.911 12.165 9.533 1.00 0.00 H new ATOM 397 N ALA A 26 -0.589 5.910 12.709 1.00 0.00 N ATOM 398 CA ALA A 26 -1.555 4.807 12.758 1.00 0.00 C ATOM 399 C ALA A 26 -0.870 3.492 13.135 1.00 0.00 C ATOM 400 O ALA A 26 0.281 3.251 12.768 1.00 0.00 O ATOM 401 CB ALA A 26 -2.319 4.672 11.442 1.00 0.00 C ATOM 0 H ALA A 26 -0.669 6.557 13.493 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.282 5.042 13.536 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.026 3.845 11.515 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.861 5.596 11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.616 4.479 10.632 1.00 0.00 H new ATOM 407 N PRO A 27 -1.564 2.632 13.898 1.00 0.00 N ATOM 408 CA PRO A 27 -1.007 1.358 14.370 1.00 0.00 C ATOM 409 C PRO A 27 -0.766 0.370 13.232 1.00 0.00 C ATOM 410 O PRO A 27 -1.574 0.265 12.303 1.00 0.00 O ATOM 411 CB PRO A 27 -2.081 0.815 15.325 1.00 0.00 C ATOM 412 CG PRO A 27 -2.998 1.964 15.589 1.00 0.00 C ATOM 413 CD PRO A 27 -2.944 2.825 14.364 1.00 0.00 C ATOM 0 HA PRO A 27 -0.034 1.499 14.841 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.618 -0.021 14.877 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.635 0.448 16.250 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.014 1.617 15.778 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.682 2.521 16.471 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.672 2.512 13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.152 3.870 14.593 1.00 0.00 H new ATOM 421 N GLY A 28 0.343 -0.354 13.312 1.00 0.00 N ATOM 422 CA GLY A 28 0.665 -1.336 12.302 1.00 0.00 C ATOM 423 C GLY A 28 -0.013 -2.667 12.553 1.00 0.00 C ATOM 424 O GLY A 28 -0.915 -2.765 13.387 1.00 0.00 O ATOM 0 H GLY A 28 1.027 -0.276 14.064 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.367 -0.958 11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.745 -1.481 12.272 1.00 0.00 H new ATOM 428 N PRO A 29 0.413 -3.708 11.825 1.00 0.00 N ATOM 429 CA PRO A 29 -0.101 -5.074 11.982 1.00 0.00 C ATOM 430 C PRO A 29 -0.031 -5.586 13.418 1.00 0.00 C ATOM 431 O PRO A 29 0.715 -5.061 14.251 1.00 0.00 O ATOM 432 CB PRO A 29 0.815 -5.923 11.110 1.00 0.00 C ATOM 433 CG PRO A 29 1.480 -4.982 10.162 1.00 0.00 C ATOM 434 CD PRO A 29 1.423 -3.606 10.767 1.00 0.00 C ATOM 0 HA PRO A 29 -1.155 -5.114 11.706 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.552 -6.449 11.717 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.246 -6.681 10.571 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.514 -5.281 9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.978 -4.995 9.195 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.391 -3.310 11.171 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.145 -2.858 10.025 1.00 0.00 H new ATOM 442 N THR A 30 -0.776 -6.648 13.672 1.00 0.00 N ATOM 443 CA THR A 30 -0.900 -7.224 14.999 1.00 0.00 C ATOM 444 C THR A 30 0.381 -7.936 15.449 1.00 0.00 C ATOM 445 O THR A 30 0.651 -8.051 16.645 1.00 0.00 O ATOM 446 CB THR A 30 -2.079 -8.217 15.025 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.297 -7.530 14.710 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.209 -8.883 16.381 1.00 0.00 C ATOM 0 H THR A 30 -1.315 -7.138 12.958 1.00 0.00 H new ATOM 0 HA THR A 30 -1.080 -6.404 15.694 1.00 0.00 H new ATOM 0 HB THR A 30 -1.886 -8.990 14.282 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.044 -8.164 14.726 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.049 -9.577 16.366 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.293 -9.427 16.608 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.379 -8.124 17.144 1.00 0.00 H new ATOM 456 N ASP A 31 1.184 -8.388 14.491 1.00 0.00 N ATOM 457 CA ASP A 31 2.374 -9.190 14.798 1.00 0.00 C ATOM 458 C ASP A 31 3.506 -8.376 15.430 1.00 0.00 C ATOM 459 O ASP A 31 4.639 -8.853 15.526 1.00 0.00 O ATOM 460 CB ASP A 31 2.890 -9.895 13.544 1.00 0.00 C ATOM 461 CG ASP A 31 2.096 -11.142 13.215 1.00 0.00 C ATOM 462 OD1 ASP A 31 2.307 -12.178 13.883 1.00 0.00 O ATOM 463 OD2 ASP A 31 1.255 -11.096 12.291 1.00 0.00 O ATOM 0 H ASP A 31 1.037 -8.216 13.496 1.00 0.00 H new ATOM 0 HA ASP A 31 2.056 -9.927 15.535 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.847 -9.207 12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.938 -10.161 13.685 1.00 0.00 H new ATOM 468 N GLY A 32 3.202 -7.162 15.872 1.00 0.00 N ATOM 469 CA GLY A 32 4.185 -6.365 16.583 1.00 0.00 C ATOM 470 C GLY A 32 4.970 -5.455 15.667 1.00 0.00 C ATOM 471 O GLY A 32 6.119 -5.111 15.951 1.00 0.00 O ATOM 0 H GLY A 32 2.293 -6.715 15.751 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.681 -5.765 17.340 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.873 -7.028 17.108 1.00 0.00 H new ATOM 475 N VAL A 33 4.351 -5.063 14.568 1.00 0.00 N ATOM 476 CA VAL A 33 4.980 -4.150 13.630 1.00 0.00 C ATOM 477 C VAL A 33 4.661 -2.718 14.029 1.00 0.00 C ATOM 478 O VAL A 33 3.513 -2.399 14.339 1.00 0.00 O ATOM 479 CB VAL A 33 4.488 -4.400 12.192 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.275 -3.576 11.185 1.00 0.00 C ATOM 481 CG2 VAL A 33 4.567 -5.882 11.856 1.00 0.00 C ATOM 0 H VAL A 33 3.413 -5.363 14.303 1.00 0.00 H new ATOM 0 HA VAL A 33 6.056 -4.319 13.658 1.00 0.00 H new ATOM 0 HB VAL A 33 3.447 -4.084 12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.902 -3.776 10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.158 -2.516 11.411 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.330 -3.844 11.241 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.216 -6.043 10.837 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.600 -6.220 11.942 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.942 -6.446 12.548 1.00 0.00 H new ATOM 491 N LYS A 34 5.674 -1.861 14.025 1.00 0.00 N ATOM 492 CA LYS A 34 5.501 -0.471 14.415 1.00 0.00 C ATOM 493 C LYS A 34 4.659 0.260 13.387 1.00 0.00 C ATOM 494 O LYS A 34 3.735 1.001 13.721 1.00 0.00 O ATOM 495 CB LYS A 34 6.865 0.209 14.545 1.00 0.00 C ATOM 496 CG LYS A 34 7.750 -0.389 15.627 1.00 0.00 C ATOM 497 CD LYS A 34 7.952 0.571 16.791 1.00 0.00 C ATOM 498 CE LYS A 34 6.637 0.941 17.456 1.00 0.00 C ATOM 499 NZ LYS A 34 6.844 1.830 18.626 1.00 0.00 N ATOM 0 H LYS A 34 6.626 -2.107 13.755 1.00 0.00 H new ATOM 0 HA LYS A 34 4.992 -0.438 15.378 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.384 0.146 13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.714 1.268 14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.302 -1.313 15.992 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.718 -0.651 15.200 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.615 0.115 17.526 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.445 1.475 16.434 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.990 1.437 16.732 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.123 0.034 17.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.924 2.061 19.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.441 1.347 19.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.312 2.706 18.318 1.00 0.00 H new ATOM 513 N SER A 35 4.982 0.007 12.139 1.00 0.00 N ATOM 514 CA SER A 35 4.332 0.647 11.013 1.00 0.00 C ATOM 515 C SER A 35 4.870 0.052 9.723 1.00 0.00 C ATOM 516 O SER A 35 5.788 -0.776 9.747 1.00 0.00 O ATOM 517 CB SER A 35 4.551 2.167 11.042 1.00 0.00 C ATOM 518 OG SER A 35 5.907 2.490 11.318 1.00 0.00 O ATOM 0 H SER A 35 5.710 -0.655 11.872 1.00 0.00 H new ATOM 0 HA SER A 35 3.258 0.469 11.074 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.261 2.596 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.907 2.615 11.799 1.00 0.00 H new ATOM 0 HG SER A 35 6.016 3.464 11.328 1.00 0.00 H new ATOM 524 N ALA A 36 4.306 0.459 8.608 1.00 0.00 N ATOM 525 CA ALA A 36 4.723 -0.065 7.325 1.00 0.00 C ATOM 526 C ALA A 36 5.184 1.048 6.396 1.00 0.00 C ATOM 527 O ALA A 36 4.796 2.206 6.544 1.00 0.00 O ATOM 528 CB ALA A 36 3.585 -0.849 6.692 1.00 0.00 C ATOM 0 H ALA A 36 3.558 1.151 8.563 1.00 0.00 H new ATOM 0 HA ALA A 36 5.570 -0.732 7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.906 -1.241 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.306 -1.676 7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.726 -0.193 6.550 1.00 0.00 H new ATOM 534 N THR A 37 6.044 0.691 5.467 1.00 0.00 N ATOM 535 CA THR A 37 6.450 1.595 4.416 1.00 0.00 C ATOM 536 C THR A 37 6.067 1.001 3.073 1.00 0.00 C ATOM 537 O THR A 37 6.150 -0.213 2.879 1.00 0.00 O ATOM 538 CB THR A 37 7.966 1.870 4.459 1.00 0.00 C ATOM 539 OG1 THR A 37 8.687 0.634 4.543 1.00 0.00 O ATOM 540 CG2 THR A 37 8.332 2.755 5.645 1.00 0.00 C ATOM 0 H THR A 37 6.479 -0.230 5.420 1.00 0.00 H new ATOM 0 HA THR A 37 5.939 2.547 4.563 1.00 0.00 H new ATOM 0 HB THR A 37 8.239 2.392 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.649 0.818 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.408 2.932 5.649 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.808 3.707 5.564 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.042 2.260 6.572 1.00 0.00 H new ATOM 548 N VAL A 38 5.635 1.836 2.151 1.00 0.00 N ATOM 549 CA VAL A 38 5.180 1.341 0.869 1.00 0.00 C ATOM 550 C VAL A 38 6.131 1.771 -0.240 1.00 0.00 C ATOM 551 O VAL A 38 6.554 2.926 -0.310 1.00 0.00 O ATOM 552 CB VAL A 38 3.734 1.795 0.557 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.627 3.309 0.508 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.243 1.172 -0.743 1.00 0.00 C ATOM 0 H VAL A 38 5.589 2.849 2.263 1.00 0.00 H new ATOM 0 HA VAL A 38 5.175 0.252 0.922 1.00 0.00 H new ATOM 0 HB VAL A 38 3.093 1.446 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.598 3.594 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.920 3.726 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.286 3.695 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.224 1.504 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.893 1.480 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.260 0.086 -0.655 1.00 0.00 H new ATOM 564 N THR A 39 6.511 0.817 -1.069 1.00 0.00 N ATOM 565 CA THR A 39 7.372 1.086 -2.200 1.00 0.00 C ATOM 566 C THR A 39 6.639 0.786 -3.499 1.00 0.00 C ATOM 567 O THR A 39 6.201 -0.345 -3.732 1.00 0.00 O ATOM 568 CB THR A 39 8.662 0.243 -2.131 1.00 0.00 C ATOM 569 OG1 THR A 39 9.286 0.426 -0.855 1.00 0.00 O ATOM 570 CG2 THR A 39 9.635 0.637 -3.236 1.00 0.00 C ATOM 0 H THR A 39 6.232 -0.160 -0.977 1.00 0.00 H new ATOM 0 HA THR A 39 7.645 2.141 -2.169 1.00 0.00 H new ATOM 0 HB THR A 39 8.395 -0.805 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.105 -0.111 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.535 0.027 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.166 0.478 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.900 1.689 -3.129 1.00 0.00 H new ATOM 578 N PHE A 40 6.495 1.796 -4.338 1.00 0.00 N ATOM 579 CA PHE A 40 5.841 1.611 -5.618 1.00 0.00 C ATOM 580 C PHE A 40 6.883 1.508 -6.717 1.00 0.00 C ATOM 581 O PHE A 40 7.636 2.452 -6.965 1.00 0.00 O ATOM 582 CB PHE A 40 4.887 2.768 -5.926 1.00 0.00 C ATOM 583 CG PHE A 40 3.689 2.840 -5.019 1.00 0.00 C ATOM 584 CD1 PHE A 40 2.585 2.032 -5.241 1.00 0.00 C ATOM 585 CD2 PHE A 40 3.661 3.721 -3.950 1.00 0.00 C ATOM 586 CE1 PHE A 40 1.480 2.099 -4.414 1.00 0.00 C ATOM 587 CE2 PHE A 40 2.558 3.793 -3.120 1.00 0.00 C ATOM 588 CZ PHE A 40 1.465 2.981 -3.352 1.00 0.00 C ATOM 0 H PHE A 40 6.820 2.746 -4.157 1.00 0.00 H new ATOM 0 HA PHE A 40 5.260 0.690 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.438 3.706 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.543 2.676 -6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.588 1.341 -6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.512 4.360 -3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.628 1.461 -4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.551 4.484 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.602 3.036 -2.705 1.00 0.00 H new ATOM 598 N THR A 41 6.926 0.361 -7.369 1.00 0.00 N ATOM 599 CA THR A 41 7.833 0.156 -8.479 1.00 0.00 C ATOM 600 C THR A 41 7.068 0.281 -9.789 1.00 0.00 C ATOM 601 O THR A 41 5.874 0.583 -9.785 1.00 0.00 O ATOM 602 CB THR A 41 8.573 -1.201 -8.404 1.00 0.00 C ATOM 603 OG1 THR A 41 7.644 -2.288 -8.457 1.00 0.00 O ATOM 604 CG2 THR A 41 9.401 -1.297 -7.131 1.00 0.00 C ATOM 0 H THR A 41 6.341 -0.444 -7.147 1.00 0.00 H new ATOM 0 HA THR A 41 8.601 0.927 -8.425 1.00 0.00 H new ATOM 0 HB THR A 41 9.240 -1.263 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.735 -1.948 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.912 -2.259 -7.101 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.138 -0.494 -7.115 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.747 -1.206 -6.264 1.00 0.00 H new ATOM 612 N GLU A 42 7.759 0.073 -10.896 1.00 0.00 N ATOM 613 CA GLU A 42 7.194 0.292 -12.219 1.00 0.00 C ATOM 614 C GLU A 42 5.885 -0.482 -12.430 1.00 0.00 C ATOM 615 O GLU A 42 4.907 0.078 -12.925 1.00 0.00 O ATOM 616 CB GLU A 42 8.228 -0.098 -13.268 1.00 0.00 C ATOM 617 CG GLU A 42 7.888 0.362 -14.672 1.00 0.00 C ATOM 618 CD GLU A 42 9.104 0.372 -15.570 1.00 0.00 C ATOM 619 OE1 GLU A 42 9.865 1.367 -15.520 1.00 0.00 O ATOM 620 OE2 GLU A 42 9.314 -0.609 -16.312 1.00 0.00 O ATOM 0 H GLU A 42 8.726 -0.252 -10.905 1.00 0.00 H new ATOM 0 HA GLU A 42 6.945 1.349 -12.316 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.194 0.320 -12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.338 -1.182 -13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.129 -0.295 -15.096 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.457 1.363 -14.632 1.00 0.00 H new ATOM 627 N ASP A 43 5.856 -1.750 -12.041 1.00 0.00 N ATOM 628 CA ASP A 43 4.680 -2.581 -12.285 1.00 0.00 C ATOM 629 C ASP A 43 4.164 -3.246 -11.010 1.00 0.00 C ATOM 630 O ASP A 43 3.043 -3.760 -10.976 1.00 0.00 O ATOM 631 CB ASP A 43 5.014 -3.653 -13.324 1.00 0.00 C ATOM 632 CG ASP A 43 3.788 -4.406 -13.806 1.00 0.00 C ATOM 633 OD1 ASP A 43 3.014 -3.829 -14.600 1.00 0.00 O ATOM 634 OD2 ASP A 43 3.598 -5.581 -13.415 1.00 0.00 O ATOM 0 H ASP A 43 6.622 -2.223 -11.561 1.00 0.00 H new ATOM 0 HA ASP A 43 3.890 -1.928 -12.656 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.506 -3.185 -14.177 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.724 -4.360 -12.895 1.00 0.00 H new ATOM 639 N GLU A 44 4.965 -3.225 -9.954 1.00 0.00 N ATOM 640 CA GLU A 44 4.636 -3.980 -8.750 1.00 0.00 C ATOM 641 C GLU A 44 4.643 -3.091 -7.504 1.00 0.00 C ATOM 642 O GLU A 44 5.293 -2.047 -7.471 1.00 0.00 O ATOM 643 CB GLU A 44 5.633 -5.128 -8.596 1.00 0.00 C ATOM 644 CG GLU A 44 5.702 -6.014 -9.832 1.00 0.00 C ATOM 645 CD GLU A 44 6.909 -6.927 -9.857 1.00 0.00 C ATOM 646 OE1 GLU A 44 8.017 -6.468 -9.517 1.00 0.00 O ATOM 647 OE2 GLU A 44 6.758 -8.103 -10.250 1.00 0.00 O ATOM 0 H GLU A 44 5.838 -2.700 -9.904 1.00 0.00 H new ATOM 0 HA GLU A 44 3.626 -4.377 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.623 -4.720 -8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.353 -5.734 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.797 -6.620 -9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.716 -5.383 -10.721 1.00 0.00 H new ATOM 654 N VAL A 45 3.892 -3.498 -6.492 1.00 0.00 N ATOM 655 CA VAL A 45 3.883 -2.807 -5.213 1.00 0.00 C ATOM 656 C VAL A 45 4.551 -3.676 -4.159 1.00 0.00 C ATOM 657 O VAL A 45 4.238 -4.861 -4.036 1.00 0.00 O ATOM 658 CB VAL A 45 2.449 -2.470 -4.744 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.465 -1.780 -3.392 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.742 -1.604 -5.767 1.00 0.00 C ATOM 0 H VAL A 45 3.276 -4.310 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 45 4.427 -1.872 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 45 1.902 -3.407 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.443 -1.554 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.928 -2.436 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.035 -0.854 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.734 -1.378 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.296 -0.675 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.686 -2.135 -6.717 1.00 0.00 H new ATOM 670 N VAL A 46 5.479 -3.097 -3.414 1.00 0.00 N ATOM 671 CA VAL A 46 6.163 -3.824 -2.360 1.00 0.00 C ATOM 672 C VAL A 46 5.879 -3.180 -1.007 1.00 0.00 C ATOM 673 O VAL A 46 6.120 -1.985 -0.814 1.00 0.00 O ATOM 674 CB VAL A 46 7.689 -3.865 -2.594 1.00 0.00 C ATOM 675 CG1 VAL A 46 8.383 -4.675 -1.504 1.00 0.00 C ATOM 676 CG2 VAL A 46 8.013 -4.432 -3.969 1.00 0.00 C ATOM 0 H VAL A 46 5.775 -2.127 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 46 5.786 -4.847 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 46 8.062 -2.842 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.457 -4.690 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.189 -4.219 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.000 -5.695 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.094 -4.450 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.620 -5.446 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.558 -3.807 -4.737 1.00 0.00 H new ATOM 686 N GLU A 47 5.352 -3.966 -0.080 1.00 0.00 N ATOM 687 CA GLU A 47 5.126 -3.496 1.275 1.00 0.00 C ATOM 688 C GLU A 47 6.279 -3.887 2.170 1.00 0.00 C ATOM 689 O GLU A 47 6.810 -4.998 2.087 1.00 0.00 O ATOM 690 CB GLU A 47 3.814 -4.034 1.840 1.00 0.00 C ATOM 691 CG GLU A 47 2.631 -3.131 1.557 1.00 0.00 C ATOM 692 CD GLU A 47 1.300 -3.771 1.912 1.00 0.00 C ATOM 693 OE1 GLU A 47 0.919 -3.742 3.101 1.00 0.00 O ATOM 694 OE2 GLU A 47 0.628 -4.296 1.003 1.00 0.00 O ATOM 0 H GLU A 47 5.073 -4.933 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 47 5.057 -2.409 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.620 -5.020 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.915 -4.163 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.745 -2.205 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.629 -2.863 0.500 1.00 0.00 H new ATOM 701 N THR A 48 6.675 -2.957 3.003 1.00 0.00 N ATOM 702 CA THR A 48 7.763 -3.182 3.933 1.00 0.00 C ATOM 703 C THR A 48 7.287 -2.963 5.360 1.00 0.00 C ATOM 704 O THR A 48 6.830 -1.880 5.710 1.00 0.00 O ATOM 705 CB THR A 48 8.954 -2.249 3.646 1.00 0.00 C ATOM 706 OG1 THR A 48 8.682 -1.437 2.492 1.00 0.00 O ATOM 707 CG2 THR A 48 10.226 -3.049 3.416 1.00 0.00 C ATOM 0 H THR A 48 6.258 -2.028 3.059 1.00 0.00 H new ATOM 0 HA THR A 48 8.094 -4.213 3.807 1.00 0.00 H new ATOM 0 HB THR A 48 9.097 -1.607 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.875 -0.904 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.053 -2.368 3.215 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.450 -3.640 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.088 -3.714 2.563 1.00 0.00 H new ATOM 715 N GLU A 49 7.383 -3.994 6.172 1.00 0.00 N ATOM 716 CA GLU A 49 6.956 -3.912 7.557 1.00 0.00 C ATOM 717 C GLU A 49 8.162 -3.721 8.456 1.00 0.00 C ATOM 718 O GLU A 49 9.131 -4.470 8.364 1.00 0.00 O ATOM 719 CB GLU A 49 6.206 -5.179 7.964 1.00 0.00 C ATOM 720 CG GLU A 49 5.117 -5.589 6.989 1.00 0.00 C ATOM 721 CD GLU A 49 4.355 -6.813 7.449 1.00 0.00 C ATOM 722 OE1 GLU A 49 4.892 -7.938 7.339 1.00 0.00 O ATOM 723 OE2 GLU A 49 3.213 -6.664 7.925 1.00 0.00 O ATOM 0 H GLU A 49 7.754 -4.904 5.898 1.00 0.00 H new ATOM 0 HA GLU A 49 6.285 -3.060 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.920 -5.997 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.761 -5.026 8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.421 -4.760 6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.563 -5.788 6.015 1.00 0.00 H new ATOM 730 N VAL A 50 8.111 -2.722 9.314 1.00 0.00 N ATOM 731 CA VAL A 50 9.198 -2.479 10.250 1.00 0.00 C ATOM 732 C VAL A 50 8.839 -3.043 11.618 1.00 0.00 C ATOM 733 O VAL A 50 7.930 -2.549 12.290 1.00 0.00 O ATOM 734 CB VAL A 50 9.519 -0.972 10.380 1.00 0.00 C ATOM 735 CG1 VAL A 50 10.717 -0.752 11.287 1.00 0.00 C ATOM 736 CG2 VAL A 50 9.759 -0.346 9.012 1.00 0.00 C ATOM 0 H VAL A 50 7.333 -2.066 9.385 1.00 0.00 H new ATOM 0 HA VAL A 50 10.085 -2.979 9.862 1.00 0.00 H new ATOM 0 HB VAL A 50 8.655 -0.482 10.830 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.924 0.315 11.364 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.501 -1.152 12.278 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.586 -1.262 10.871 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.983 0.714 9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.600 -0.842 8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.866 -0.462 8.397 1.00 0.00 H new ATOM 746 N MET A 51 9.555 -4.071 12.030 1.00 0.00 N ATOM 747 CA MET A 51 9.247 -4.748 13.280 1.00 0.00 C ATOM 748 C MET A 51 10.398 -4.609 14.266 1.00 0.00 C ATOM 749 O MET A 51 11.564 -4.735 13.885 1.00 0.00 O ATOM 750 CB MET A 51 8.949 -6.224 13.013 1.00 0.00 C ATOM 751 CG MET A 51 8.249 -6.933 14.167 1.00 0.00 C ATOM 752 SD MET A 51 7.469 -8.485 13.673 1.00 0.00 S ATOM 753 CE MET A 51 8.879 -9.421 13.094 1.00 0.00 C ATOM 0 H MET A 51 10.351 -4.456 11.522 1.00 0.00 H new ATOM 0 HA MET A 51 8.365 -4.282 13.720 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.328 -6.303 12.121 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.885 -6.740 12.797 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.973 -7.132 14.957 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.493 -6.271 14.588 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.575 -10.448 12.891 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.265 -8.969 12.180 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.657 -9.417 13.858 1.00 0.00 H new ATOM 763 N GLU A 52 10.054 -4.359 15.526 1.00 0.00 N ATOM 764 CA GLU A 52 11.029 -4.157 16.585 1.00 0.00 C ATOM 765 C GLU A 52 12.005 -5.324 16.679 1.00 0.00 C ATOM 766 O GLU A 52 11.599 -6.479 16.793 1.00 0.00 O ATOM 767 CB GLU A 52 10.295 -3.992 17.912 1.00 0.00 C ATOM 768 CG GLU A 52 9.639 -2.630 18.086 1.00 0.00 C ATOM 769 CD GLU A 52 10.657 -1.521 18.255 1.00 0.00 C ATOM 770 OE1 GLU A 52 11.326 -1.166 17.262 1.00 0.00 O ATOM 771 OE2 GLU A 52 10.809 -1.017 19.387 1.00 0.00 O ATOM 0 H GLU A 52 9.086 -4.291 15.839 1.00 0.00 H new ATOM 0 HA GLU A 52 11.605 -3.260 16.356 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.531 -4.766 17.993 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.999 -4.153 18.728 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.013 -2.417 17.220 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.982 -2.654 18.956 1.00 0.00 H new ATOM 778 N GLY A 53 13.292 -5.012 16.624 1.00 0.00 N ATOM 779 CA GLY A 53 14.314 -6.033 16.739 1.00 0.00 C ATOM 780 C GLY A 53 14.783 -6.541 15.391 1.00 0.00 C ATOM 781 O GLY A 53 15.921 -6.991 15.253 1.00 0.00 O ATOM 0 H GLY A 53 13.648 -4.064 16.501 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.165 -5.630 17.288 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.925 -6.867 17.323 1.00 0.00 H new ATOM 785 N ARG A 54 13.903 -6.481 14.400 1.00 0.00 N ATOM 786 CA ARG A 54 14.229 -6.937 13.056 1.00 0.00 C ATOM 787 C ARG A 54 14.745 -5.793 12.206 1.00 0.00 C ATOM 788 O ARG A 54 15.943 -5.655 11.970 1.00 0.00 O ATOM 789 CB ARG A 54 12.982 -7.497 12.378 1.00 0.00 C ATOM 790 CG ARG A 54 12.384 -8.699 13.061 1.00 0.00 C ATOM 791 CD ARG A 54 12.991 -9.992 12.534 1.00 0.00 C ATOM 792 NE ARG A 54 13.020 -10.022 11.067 1.00 0.00 N ATOM 793 CZ ARG A 54 12.410 -10.942 10.317 1.00 0.00 C ATOM 794 NH1 ARG A 54 11.677 -11.896 10.875 1.00 0.00 N ATOM 795 NH2 ARG A 54 12.528 -10.898 8.995 1.00 0.00 N ATOM 0 H ARG A 54 12.955 -6.120 14.503 1.00 0.00 H new ATOM 0 HA ARG A 54 14.997 -7.705 13.146 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.228 -6.712 12.327 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.232 -7.765 11.352 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.549 -8.629 14.136 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.305 -8.710 12.904 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.004 -10.102 12.920 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.416 -10.841 12.904 1.00 0.00 H new ATOM 0 HE ARG A 54 13.543 -9.289 10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.574 -11.933 11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.216 -12.593 10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.083 -10.163 8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.064 -11.599 8.418 1.00 0.00 H new ATOM 809 N GLY A 55 13.810 -4.960 11.788 1.00 0.00 N ATOM 810 CA GLY A 55 14.083 -3.926 10.818 1.00 0.00 C ATOM 811 C GLY A 55 13.041 -3.957 9.720 1.00 0.00 C ATOM 812 O GLY A 55 11.878 -4.266 9.989 1.00 0.00 O ATOM 0 H GLY A 55 12.843 -4.984 12.113 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.082 -2.950 11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.076 -4.069 10.392 1.00 0.00 H new ATOM 816 N GLU A 56 13.441 -3.651 8.494 1.00 0.00 N ATOM 817 CA GLU A 56 12.531 -3.714 7.370 1.00 0.00 C ATOM 818 C GLU A 56 12.361 -5.135 6.881 1.00 0.00 C ATOM 819 O GLU A 56 13.329 -5.866 6.662 1.00 0.00 O ATOM 820 CB GLU A 56 13.022 -2.850 6.217 1.00 0.00 C ATOM 821 CG GLU A 56 13.425 -1.446 6.612 1.00 0.00 C ATOM 822 CD GLU A 56 14.868 -1.364 7.072 1.00 0.00 C ATOM 823 OE1 GLU A 56 15.773 -1.427 6.213 1.00 0.00 O ATOM 824 OE2 GLU A 56 15.106 -1.256 8.290 1.00 0.00 O ATOM 0 H GLU A 56 14.389 -3.358 8.257 1.00 0.00 H new ATOM 0 HA GLU A 56 11.569 -3.337 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.875 -3.341 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.236 -2.791 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.279 -0.777 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.772 -1.095 7.411 1.00 0.00 H new ATOM 831 N VAL A 57 11.115 -5.507 6.710 1.00 0.00 N ATOM 832 CA VAL A 57 10.760 -6.793 6.151 1.00 0.00 C ATOM 833 C VAL A 57 9.985 -6.574 4.857 1.00 0.00 C ATOM 834 O VAL A 57 8.937 -5.930 4.860 1.00 0.00 O ATOM 835 CB VAL A 57 9.897 -7.598 7.145 1.00 0.00 C ATOM 836 CG1 VAL A 57 9.433 -8.911 6.527 1.00 0.00 C ATOM 837 CG2 VAL A 57 10.665 -7.856 8.435 1.00 0.00 C ATOM 0 H VAL A 57 10.314 -4.925 6.955 1.00 0.00 H new ATOM 0 HA VAL A 57 11.670 -7.358 5.950 1.00 0.00 H new ATOM 0 HB VAL A 57 9.014 -7.005 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.827 -9.459 7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.839 -8.704 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.301 -9.511 6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.040 -8.425 9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.569 -8.423 8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.937 -6.905 8.893 1.00 0.00 H new ATOM 847 N GLN A 58 10.500 -7.096 3.756 1.00 0.00 N ATOM 848 CA GLN A 58 9.879 -6.904 2.465 1.00 0.00 C ATOM 849 C GLN A 58 8.921 -8.042 2.150 1.00 0.00 C ATOM 850 O GLN A 58 9.290 -9.215 2.215 1.00 0.00 O ATOM 851 CB GLN A 58 10.955 -6.803 1.391 1.00 0.00 C ATOM 852 CG GLN A 58 11.958 -5.690 1.647 1.00 0.00 C ATOM 853 CD GLN A 58 12.907 -5.463 0.482 1.00 0.00 C ATOM 854 OE1 GLN A 58 13.243 -6.386 -0.261 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.341 -4.223 0.311 1.00 0.00 N ATOM 0 H GLN A 58 11.351 -7.658 3.736 1.00 0.00 H new ATOM 0 HA GLN A 58 9.304 -5.978 2.486 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.485 -7.753 1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.479 -6.638 0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.420 -4.765 1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.538 -5.929 2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.040 -3.485 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.976 -4.006 -0.457 1.00 0.00 H new ATOM 864 N LEU A 59 7.691 -7.686 1.821 1.00 0.00 N ATOM 865 CA LEU A 59 6.680 -8.668 1.466 1.00 0.00 C ATOM 866 C LEU A 59 6.721 -8.959 -0.027 1.00 0.00 C ATOM 867 O LEU A 59 7.249 -8.159 -0.801 1.00 0.00 O ATOM 868 CB LEU A 59 5.289 -8.167 1.863 1.00 0.00 C ATOM 869 CG LEU A 59 5.061 -8.017 3.365 1.00 0.00 C ATOM 870 CD1 LEU A 59 3.674 -7.463 3.645 1.00 0.00 C ATOM 871 CD2 LEU A 59 5.248 -9.354 4.064 1.00 0.00 C ATOM 0 H LEU A 59 7.367 -6.719 1.792 1.00 0.00 H new ATOM 0 HA LEU A 59 6.891 -9.590 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.118 -7.202 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.544 -8.856 1.465 1.00 0.00 H new ATOM 0 HG LEU A 59 5.796 -7.313 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.532 -7.364 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.571 -6.485 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.923 -8.142 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.082 -9.231 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.534 -10.075 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.262 -9.715 3.893 1.00 0.00 H new ATOM 883 N PRO A 60 6.188 -10.125 -0.442 1.00 0.00 N ATOM 884 CA PRO A 60 6.079 -10.492 -1.856 1.00 0.00 C ATOM 885 C PRO A 60 5.459 -9.376 -2.693 1.00 0.00 C ATOM 886 O PRO A 60 4.437 -8.798 -2.320 1.00 0.00 O ATOM 887 CB PRO A 60 5.161 -11.715 -1.835 1.00 0.00 C ATOM 888 CG PRO A 60 5.358 -12.320 -0.489 1.00 0.00 C ATOM 889 CD PRO A 60 5.671 -11.183 0.447 1.00 0.00 C ATOM 0 HA PRO A 60 7.053 -10.682 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.121 -11.430 -1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.422 -12.418 -2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.463 -12.852 -0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.172 -13.045 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.783 -10.853 0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.409 -11.473 1.195 1.00 0.00 H new ATOM 897 N PHE A 61 6.095 -9.076 -3.816 1.00 0.00 N ATOM 898 CA PHE A 61 5.637 -8.015 -4.699 1.00 0.00 C ATOM 899 C PHE A 61 4.228 -8.285 -5.218 1.00 0.00 C ATOM 900 O PHE A 61 3.930 -9.361 -5.732 1.00 0.00 O ATOM 901 CB PHE A 61 6.614 -7.829 -5.869 1.00 0.00 C ATOM 902 CG PHE A 61 7.023 -9.111 -6.552 1.00 0.00 C ATOM 903 CD1 PHE A 61 6.286 -9.620 -7.612 1.00 0.00 C ATOM 904 CD2 PHE A 61 8.149 -9.804 -6.133 1.00 0.00 C ATOM 905 CE1 PHE A 61 6.663 -10.792 -8.239 1.00 0.00 C ATOM 906 CE2 PHE A 61 8.529 -10.978 -6.756 1.00 0.00 C ATOM 907 CZ PHE A 61 7.786 -11.472 -7.809 1.00 0.00 C ATOM 0 H PHE A 61 6.935 -9.556 -4.138 1.00 0.00 H new ATOM 0 HA PHE A 61 5.605 -7.093 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.157 -7.169 -6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.509 -7.326 -5.502 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.406 -9.093 -7.951 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.736 -9.422 -5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.081 -11.176 -9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.407 -11.509 -6.419 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.082 -12.389 -8.296 1.00 0.00 H new ATOM 917 N MET A 62 3.366 -7.296 -5.062 1.00 0.00 N ATOM 918 CA MET A 62 2.001 -7.387 -5.549 1.00 0.00 C ATOM 919 C MET A 62 1.846 -6.579 -6.825 1.00 0.00 C ATOM 920 O MET A 62 2.077 -5.373 -6.837 1.00 0.00 O ATOM 921 CB MET A 62 1.009 -6.886 -4.494 1.00 0.00 C ATOM 922 CG MET A 62 0.866 -7.801 -3.286 1.00 0.00 C ATOM 923 SD MET A 62 -0.397 -7.237 -2.125 1.00 0.00 S ATOM 924 CE MET A 62 -1.856 -7.253 -3.163 1.00 0.00 C ATOM 0 H MET A 62 3.589 -6.415 -4.599 1.00 0.00 H new ATOM 0 HA MET A 62 1.784 -8.435 -5.757 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.326 -5.900 -4.153 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.031 -6.763 -4.960 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.618 -8.807 -3.625 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.824 -7.866 -2.770 1.00 0.00 H new ATOM 0 HE1 MET A 62 -2.746 -7.334 -2.539 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.901 -6.330 -3.741 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.810 -8.105 -3.842 1.00 0.00 H new ATOM 934 N ALA A 63 1.460 -7.244 -7.899 1.00 0.00 N ATOM 935 CA ALA A 63 1.283 -6.579 -9.179 1.00 0.00 C ATOM 936 C ALA A 63 0.013 -5.740 -9.169 1.00 0.00 C ATOM 937 O ALA A 63 -1.062 -6.227 -8.810 1.00 0.00 O ATOM 938 CB ALA A 63 1.242 -7.597 -10.308 1.00 0.00 C ATOM 0 H ALA A 63 1.263 -8.245 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 63 2.133 -5.917 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.109 -7.081 -11.259 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.177 -8.157 -10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.411 -8.284 -10.149 1.00 0.00 H new ATOM 944 N TYR A 64 0.149 -4.477 -9.540 1.00 0.00 N ATOM 945 CA TYR A 64 -0.986 -3.570 -9.563 1.00 0.00 C ATOM 946 C TYR A 64 -1.282 -3.140 -10.989 1.00 0.00 C ATOM 947 O TYR A 64 -0.402 -3.166 -11.857 1.00 0.00 O ATOM 948 CB TYR A 64 -0.725 -2.334 -8.686 1.00 0.00 C ATOM 949 CG TYR A 64 0.291 -1.360 -9.252 1.00 0.00 C ATOM 950 CD1 TYR A 64 1.652 -1.567 -9.079 1.00 0.00 C ATOM 951 CD2 TYR A 64 -0.114 -0.230 -9.955 1.00 0.00 C ATOM 952 CE1 TYR A 64 2.579 -0.680 -9.588 1.00 0.00 C ATOM 953 CE2 TYR A 64 0.810 0.660 -10.469 1.00 0.00 C ATOM 954 CZ TYR A 64 2.155 0.430 -10.281 1.00 0.00 C ATOM 955 OH TYR A 64 3.080 1.313 -10.788 1.00 0.00 O ATOM 0 H TYR A 64 1.033 -4.058 -9.829 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.850 -4.099 -9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.667 -1.808 -8.534 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.383 -2.666 -7.706 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.992 -2.437 -8.537 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.168 -0.045 -10.102 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.634 -0.857 -9.443 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.479 1.531 -11.015 1.00 0.00 H new ATOM 0 HH TYR A 64 3.971 1.084 -10.449 1.00 0.00 H new ATOM 965 N LYS A 65 -2.524 -2.763 -11.233 1.00 0.00 N ATOM 966 CA LYS A 65 -2.918 -2.251 -12.531 1.00 0.00 C ATOM 967 C LYS A 65 -3.600 -0.915 -12.382 1.00 0.00 C ATOM 968 O LYS A 65 -4.275 -0.648 -11.390 1.00 0.00 O ATOM 969 CB LYS A 65 -3.829 -3.235 -13.259 1.00 0.00 C ATOM 970 CG LYS A 65 -3.135 -4.541 -13.568 1.00 0.00 C ATOM 971 CD LYS A 65 -4.035 -5.515 -14.313 1.00 0.00 C ATOM 972 CE LYS A 65 -4.256 -5.080 -15.755 1.00 0.00 C ATOM 973 NZ LYS A 65 -2.967 -4.881 -16.471 1.00 0.00 N ATOM 0 H LYS A 65 -3.278 -2.802 -10.547 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.017 -2.122 -13.130 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.710 -3.431 -12.648 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.179 -2.784 -14.188 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.245 -4.344 -14.165 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.799 -5.000 -12.638 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.589 -6.509 -14.296 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.995 -5.588 -13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.850 -5.832 -16.275 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.829 -4.153 -15.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.124 -4.955 -17.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.587 -3.939 -16.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.288 -5.609 -16.172 1.00 0.00 H new ATOM 987 N VAL A 66 -3.406 -0.086 -13.379 1.00 0.00 N ATOM 988 CA VAL A 66 -3.918 1.269 -13.363 1.00 0.00 C ATOM 989 C VAL A 66 -5.227 1.358 -14.134 1.00 0.00 C ATOM 990 O VAL A 66 -5.266 1.145 -15.348 1.00 0.00 O ATOM 991 CB VAL A 66 -2.890 2.255 -13.958 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.441 3.668 -13.980 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.597 2.215 -13.171 1.00 0.00 C ATOM 0 H VAL A 66 -2.890 -0.328 -14.225 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.101 1.543 -12.324 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.688 1.948 -14.984 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.697 4.342 -14.404 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.345 3.697 -14.589 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.678 3.982 -12.963 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.885 2.917 -13.605 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.793 2.492 -12.135 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.181 1.208 -13.205 1.00 0.00 H new ATOM 1003 N ILE A 67 -6.297 1.660 -13.415 1.00 0.00 N ATOM 1004 CA ILE A 67 -7.613 1.796 -14.009 1.00 0.00 C ATOM 1005 C ILE A 67 -7.746 3.177 -14.625 1.00 0.00 C ATOM 1006 O ILE A 67 -8.044 3.323 -15.810 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.730 1.599 -12.964 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.441 0.367 -12.104 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -10.077 1.461 -13.661 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.499 0.091 -11.062 1.00 0.00 C ATOM 0 H ILE A 67 -6.276 1.817 -12.407 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.720 1.025 -14.772 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.763 2.472 -12.312 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.347 -0.504 -12.753 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.480 0.499 -11.607 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.860 1.322 -12.915 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.282 2.362 -14.239 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.055 0.599 -14.328 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.225 -0.797 -10.492 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.578 0.945 -10.389 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.458 -0.074 -11.552 1.00 0.00 H new ATOM 1022 N SER A 68 -7.483 4.185 -13.810 1.00 0.00 N ATOM 1023 CA SER A 68 -7.524 5.566 -14.259 1.00 0.00 C ATOM 1024 C SER A 68 -6.280 6.289 -13.773 1.00 0.00 C ATOM 1025 O SER A 68 -5.703 5.921 -12.748 1.00 0.00 O ATOM 1026 CB SER A 68 -8.773 6.270 -13.736 1.00 0.00 C ATOM 1027 OG SER A 68 -9.930 5.470 -13.932 1.00 0.00 O ATOM 0 H SER A 68 -7.237 4.071 -12.827 1.00 0.00 H new ATOM 0 HA SER A 68 -7.556 5.581 -15.348 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.654 6.489 -12.675 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.897 7.225 -14.246 1.00 0.00 H new ATOM 0 HG SER A 68 -10.716 5.942 -13.587 1.00 0.00 H new ATOM 1033 N GLN A 69 -5.881 7.316 -14.495 1.00 0.00 N ATOM 1034 CA GLN A 69 -4.616 7.984 -14.233 1.00 0.00 C ATOM 1035 C GLN A 69 -4.701 9.462 -14.582 1.00 0.00 C ATOM 1036 O GLN A 69 -5.392 9.845 -15.523 1.00 0.00 O ATOM 1037 CB GLN A 69 -3.497 7.315 -15.036 1.00 0.00 C ATOM 1038 CG GLN A 69 -2.107 7.863 -14.739 1.00 0.00 C ATOM 1039 CD GLN A 69 -1.029 7.209 -15.580 1.00 0.00 C ATOM 1040 OE1 GLN A 69 -0.011 7.827 -15.898 1.00 0.00 O ATOM 1041 NE2 GLN A 69 -1.245 5.956 -15.950 1.00 0.00 N ATOM 0 H GLN A 69 -6.414 7.710 -15.271 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.394 7.898 -13.169 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.506 6.245 -14.830 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.704 7.436 -16.099 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.099 8.938 -14.917 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.880 7.713 -13.684 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.101 5.481 -15.665 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.555 5.466 -16.520 1.00 0.00 H new ATOM 1050 N SER A 70 -4.008 10.280 -13.812 1.00 0.00 N ATOM 1051 CA SER A 70 -3.936 11.703 -14.069 1.00 0.00 C ATOM 1052 C SER A 70 -2.490 12.162 -13.973 1.00 0.00 C ATOM 1053 O SER A 70 -1.719 11.627 -13.173 1.00 0.00 O ATOM 1054 CB SER A 70 -4.789 12.452 -13.044 1.00 0.00 C ATOM 1055 OG SER A 70 -4.892 13.833 -13.343 1.00 0.00 O ATOM 0 H SER A 70 -3.481 9.976 -12.993 1.00 0.00 H new ATOM 0 HA SER A 70 -4.314 11.913 -15.070 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.786 12.013 -13.013 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.355 12.328 -12.052 1.00 0.00 H new ATOM 0 HG SER A 70 -5.672 14.210 -12.884 1.00 0.00 H new ATOM 1061 N THR A 71 -2.114 13.136 -14.791 1.00 0.00 N ATOM 1062 CA THR A 71 -0.789 13.720 -14.707 1.00 0.00 C ATOM 1063 C THR A 71 -0.674 14.580 -13.453 1.00 0.00 C ATOM 1064 O THR A 71 0.421 14.813 -12.940 1.00 0.00 O ATOM 1065 CB THR A 71 -0.465 14.553 -15.960 1.00 0.00 C ATOM 1066 OG1 THR A 71 -1.624 15.285 -16.378 1.00 0.00 O ATOM 1067 CG2 THR A 71 0.013 13.664 -17.096 1.00 0.00 C ATOM 0 H THR A 71 -2.709 13.535 -15.517 1.00 0.00 H new ATOM 0 HA THR A 71 -0.064 12.908 -14.650 1.00 0.00 H new ATOM 0 HB THR A 71 0.333 15.250 -15.705 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.408 15.813 -17.175 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.235 14.277 -17.969 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.913 13.132 -16.788 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.766 12.944 -17.347 1.00 0.00 H new ATOM 1075 N ASP A 72 -1.824 15.041 -12.965 1.00 0.00 N ATOM 1076 CA ASP A 72 -1.902 15.743 -11.692 1.00 0.00 C ATOM 1077 C ASP A 72 -3.351 15.829 -11.237 1.00 0.00 C ATOM 1078 O ASP A 72 -4.077 16.756 -11.604 1.00 0.00 O ATOM 1079 CB ASP A 72 -1.298 17.148 -11.778 1.00 0.00 C ATOM 1080 CG ASP A 72 -1.181 17.796 -10.412 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -0.326 17.353 -9.616 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -1.932 18.751 -10.124 1.00 0.00 O ATOM 0 H ASP A 72 -2.721 14.938 -13.440 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.321 15.177 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.312 17.092 -12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.917 17.771 -12.424 1.00 0.00 H new ATOM 1087 N GLY A 73 -3.784 14.826 -10.488 1.00 0.00 N ATOM 1088 CA GLY A 73 -5.132 14.820 -9.961 1.00 0.00 C ATOM 1089 C GLY A 73 -5.395 13.614 -9.085 1.00 0.00 C ATOM 1090 O GLY A 73 -5.247 13.680 -7.865 1.00 0.00 O ATOM 0 H GLY A 73 -3.223 14.013 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.300 15.730 -9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.844 14.830 -10.787 1.00 0.00 H new ATOM 1094 N SER A 74 -5.766 12.505 -9.708 1.00 0.00 N ATOM 1095 CA SER A 74 -6.058 11.284 -8.980 1.00 0.00 C ATOM 1096 C SER A 74 -5.664 10.069 -9.803 1.00 0.00 C ATOM 1097 O SER A 74 -5.566 10.134 -11.031 1.00 0.00 O ATOM 1098 CB SER A 74 -7.543 11.222 -8.622 1.00 0.00 C ATOM 1099 OG SER A 74 -7.869 10.043 -7.902 1.00 0.00 O ATOM 0 H SER A 74 -5.872 12.428 -10.720 1.00 0.00 H new ATOM 0 HA SER A 74 -5.476 11.283 -8.058 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.809 12.095 -8.026 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.138 11.265 -9.534 1.00 0.00 H new ATOM 0 HG SER A 74 -8.826 10.043 -7.691 1.00 0.00 H new ATOM 1105 N ILE A 75 -5.416 8.978 -9.111 1.00 0.00 N ATOM 1106 CA ILE A 75 -5.079 7.717 -9.746 1.00 0.00 C ATOM 1107 C ILE A 75 -5.898 6.596 -9.120 1.00 0.00 C ATOM 1108 O ILE A 75 -6.054 6.544 -7.900 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.576 7.373 -9.604 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.696 8.551 -10.042 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -3.239 6.131 -10.417 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -1.231 8.201 -10.191 1.00 0.00 C ATOM 0 H ILE A 75 -5.442 8.938 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.306 7.818 -10.807 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.373 7.172 -8.552 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.066 8.934 -10.993 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.795 9.356 -9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.179 5.901 -10.308 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.832 5.289 -10.058 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.465 6.312 -11.468 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.676 9.085 -10.503 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.843 7.847 -9.236 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.118 7.419 -10.941 1.00 0.00 H new ATOM 1124 N GLU A 76 -6.433 5.720 -9.949 1.00 0.00 N ATOM 1125 CA GLU A 76 -7.184 4.583 -9.454 1.00 0.00 C ATOM 1126 C GLU A 76 -6.491 3.301 -9.878 1.00 0.00 C ATOM 1127 O GLU A 76 -6.320 3.041 -11.069 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.614 4.606 -9.983 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.569 3.736 -9.183 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.994 3.808 -9.692 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -11.651 4.847 -9.490 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.465 2.825 -10.295 1.00 0.00 O ATOM 0 H GLU A 76 -6.362 5.774 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.225 4.634 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.979 5.633 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.615 4.273 -11.021 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.227 2.702 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.545 4.044 -8.138 1.00 0.00 H new ATOM 1139 N ILE A 77 -6.087 2.510 -8.906 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.343 1.290 -9.175 1.00 0.00 C ATOM 1141 C ILE A 77 -6.052 0.086 -8.579 1.00 0.00 C ATOM 1142 O ILE A 77 -6.846 0.218 -7.651 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.903 1.347 -8.618 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -3.925 1.595 -7.104 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -3.098 2.425 -9.331 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.561 1.526 -6.454 1.00 0.00 C ATOM 0 H ILE A 77 -6.261 2.688 -7.917 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.289 1.194 -10.259 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.421 0.386 -8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.359 2.576 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.579 0.860 -6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.086 2.451 -8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.056 2.203 -10.397 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.574 3.394 -9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.658 1.712 -5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.132 0.537 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.909 2.280 -6.895 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.761 -1.077 -9.121 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.357 -2.313 -8.656 1.00 0.00 C ATOM 1160 C GLN A 78 -5.272 -3.354 -8.426 1.00 0.00 C ATOM 1161 O GLN A 78 -4.281 -3.392 -9.158 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.374 -2.812 -9.682 1.00 0.00 C ATOM 1163 CG GLN A 78 -8.090 -4.079 -9.272 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.251 -4.396 -10.187 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -9.097 -5.095 -11.186 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -10.421 -3.877 -9.852 1.00 0.00 N ATOM 0 H GLN A 78 -5.106 -1.193 -9.895 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.872 -2.136 -7.712 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.113 -2.030 -9.856 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.864 -2.986 -10.629 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.386 -4.911 -9.278 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.452 -3.976 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.503 -3.302 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.241 -4.052 -10.432 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.453 -4.181 -7.408 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.482 -5.211 -7.081 1.00 0.00 C ATOM 1177 C TYR A 79 -4.866 -6.534 -7.730 1.00 0.00 C ATOM 1178 O TYR A 79 -6.035 -6.769 -8.045 1.00 0.00 O ATOM 1179 CB TYR A 79 -4.370 -5.379 -5.563 1.00 0.00 C ATOM 1180 CG TYR A 79 -3.960 -4.111 -4.846 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -2.638 -3.683 -4.850 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -4.897 -3.341 -4.167 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -2.262 -2.523 -4.200 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -4.529 -2.182 -3.513 1.00 0.00 C ATOM 1185 CZ TYR A 79 -3.211 -1.777 -3.533 1.00 0.00 C ATOM 1186 OH TYR A 79 -2.844 -0.617 -2.893 1.00 0.00 O ATOM 0 H TYR A 79 -6.266 -4.158 -6.793 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.512 -4.902 -7.470 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.330 -5.715 -5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.644 -6.162 -5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.892 -4.266 -5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.930 -3.655 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.231 -2.202 -4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.269 -1.596 -2.989 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.631 -0.212 -2.473 1.00 0.00 H new ATOM 1196 N LEU A 80 -3.873 -7.375 -7.953 1.00 0.00 N ATOM 1197 CA LEU A 80 -4.102 -8.680 -8.545 1.00 0.00 C ATOM 1198 C LEU A 80 -3.919 -9.780 -7.506 1.00 0.00 C ATOM 1199 O LEU A 80 -3.663 -9.502 -6.332 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.161 -8.893 -9.732 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.382 -7.936 -10.905 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.303 -8.127 -11.959 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -4.761 -8.149 -11.509 1.00 0.00 C ATOM 0 H LEU A 80 -2.897 -7.177 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.130 -8.724 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.133 -8.790 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.276 -9.916 -10.090 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.321 -6.913 -10.533 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.476 -7.438 -12.786 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.326 -7.928 -11.519 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.333 -9.152 -12.328 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.903 -7.461 -12.342 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.847 -9.175 -11.867 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.523 -7.964 -10.751 1.00 0.00 H new ATOM 1215 N GLY A 81 -4.049 -11.026 -7.938 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.967 -12.136 -7.015 1.00 0.00 C ATOM 1217 C GLY A 81 -5.300 -12.395 -6.349 1.00 0.00 C ATOM 1218 O GLY A 81 -6.342 -12.070 -6.917 1.00 0.00 O ATOM 0 H GLY A 81 -4.210 -11.287 -8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.643 -13.031 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.213 -11.926 -6.256 1.00 0.00 H new ATOM 1222 N PRO A 82 -5.303 -12.972 -5.139 1.00 0.00 N ATOM 1223 CA PRO A 82 -6.535 -13.215 -4.386 1.00 0.00 C ATOM 1224 C PRO A 82 -7.247 -11.915 -4.012 1.00 0.00 C ATOM 1225 O PRO A 82 -8.428 -11.912 -3.659 1.00 0.00 O ATOM 1226 CB PRO A 82 -6.060 -13.940 -3.121 1.00 0.00 C ATOM 1227 CG PRO A 82 -4.686 -14.424 -3.437 1.00 0.00 C ATOM 1228 CD PRO A 82 -4.113 -13.436 -4.410 1.00 0.00 C ATOM 0 HA PRO A 82 -7.256 -13.787 -4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.053 -13.269 -2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.721 -14.770 -2.871 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.076 -14.482 -2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.714 -15.425 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.604 -12.617 -3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.385 -13.899 -5.076 1.00 0.00 H new ATOM 1236 N TYR A 83 -6.524 -10.805 -4.110 1.00 0.00 N ATOM 1237 CA TYR A 83 -7.068 -9.503 -3.764 1.00 0.00 C ATOM 1238 C TYR A 83 -7.490 -8.758 -5.022 1.00 0.00 C ATOM 1239 O TYR A 83 -7.446 -7.529 -5.081 1.00 0.00 O ATOM 1240 CB TYR A 83 -6.031 -8.703 -2.971 1.00 0.00 C ATOM 1241 CG TYR A 83 -5.585 -9.416 -1.713 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -6.453 -9.570 -0.639 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -4.309 -9.961 -1.612 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -6.063 -10.242 0.501 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -3.914 -10.641 -0.477 1.00 0.00 C ATOM 1246 CZ TYR A 83 -4.795 -10.776 0.577 1.00 0.00 C ATOM 1247 OH TYR A 83 -4.416 -11.470 1.703 1.00 0.00 O ATOM 0 H TYR A 83 -5.555 -10.784 -4.428 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.952 -9.635 -3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.164 -8.512 -3.603 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.451 -7.733 -2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.449 -9.157 -0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.617 -9.851 -2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.748 -10.349 1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.922 -11.064 -0.414 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.493 -11.783 1.599 1.00 0.00 H new ATOM 1257 N TYR A 84 -7.911 -9.529 -6.022 1.00 0.00 N ATOM 1258 CA TYR A 84 -8.443 -8.989 -7.262 1.00 0.00 C ATOM 1259 C TYR A 84 -9.679 -8.125 -6.978 1.00 0.00 C ATOM 1260 O TYR A 84 -10.226 -8.198 -5.875 1.00 0.00 O ATOM 1261 CB TYR A 84 -8.738 -10.146 -8.233 1.00 0.00 C ATOM 1262 CG TYR A 84 -9.826 -11.105 -7.790 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -9.530 -12.223 -7.021 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -11.147 -10.904 -8.169 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -10.522 -13.108 -6.640 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -12.140 -11.782 -7.797 1.00 0.00 C ATOM 1267 CZ TYR A 84 -11.825 -12.881 -7.034 1.00 0.00 C ATOM 1268 OH TYR A 84 -12.817 -13.766 -6.678 1.00 0.00 O ATOM 0 H TYR A 84 -7.891 -10.548 -5.991 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.709 -8.337 -7.736 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.019 -9.725 -9.198 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.819 -10.712 -8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.510 -12.404 -6.716 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.400 -10.042 -8.768 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.279 -13.971 -6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -13.161 -11.608 -8.103 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.675 -13.456 -7.035 1.00 0.00 H new ATOM 1278 N PRO A 85 -10.222 -7.433 -8.013 1.00 0.00 N ATOM 1279 CA PRO A 85 -10.976 -6.187 -7.968 1.00 0.00 C ATOM 1280 C PRO A 85 -11.036 -5.327 -6.684 1.00 0.00 C ATOM 1281 O PRO A 85 -11.678 -4.272 -6.698 1.00 0.00 O ATOM 1282 CB PRO A 85 -12.311 -6.692 -8.466 1.00 0.00 C ATOM 1283 CG PRO A 85 -11.900 -7.642 -9.574 1.00 0.00 C ATOM 1284 CD PRO A 85 -10.406 -7.911 -9.380 1.00 0.00 C ATOM 0 HA PRO A 85 -10.479 -5.408 -8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -12.873 -7.200 -7.682 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.940 -5.883 -8.836 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.471 -8.569 -9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.092 -7.203 -10.553 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.158 -8.967 -9.486 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.791 -7.366 -10.096 1.00 0.00 H new ATOM 1292 N LEU A 86 -10.407 -5.733 -5.599 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.213 -4.839 -4.471 1.00 0.00 C ATOM 1294 C LEU A 86 -9.231 -3.749 -4.889 1.00 0.00 C ATOM 1295 O LEU A 86 -8.029 -3.991 -5.006 1.00 0.00 O ATOM 1296 CB LEU A 86 -9.679 -5.606 -3.255 1.00 0.00 C ATOM 1297 CG LEU A 86 -9.463 -4.765 -1.996 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -10.780 -4.188 -1.505 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -8.807 -5.601 -0.908 1.00 0.00 C ATOM 0 H LEU A 86 -10.023 -6.670 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.166 -4.394 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.375 -6.411 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.732 -6.073 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.799 -3.937 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.605 -3.593 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.212 -3.556 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.469 -5.000 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.660 -4.989 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.448 -6.448 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.843 -5.966 -1.261 1.00 0.00 H new ATOM 1311 N LYS A 87 -9.748 -2.558 -5.149 1.00 0.00 N ATOM 1312 CA LYS A 87 -8.930 -1.500 -5.716 1.00 0.00 C ATOM 1313 C LYS A 87 -8.583 -0.434 -4.684 1.00 0.00 C ATOM 1314 O LYS A 87 -9.079 -0.455 -3.557 1.00 0.00 O ATOM 1315 CB LYS A 87 -9.620 -0.877 -6.934 1.00 0.00 C ATOM 1316 CG LYS A 87 -10.973 -0.244 -6.649 1.00 0.00 C ATOM 1317 CD LYS A 87 -11.581 0.313 -7.929 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.879 1.065 -7.674 1.00 0.00 C ATOM 1319 NZ LYS A 87 -13.454 1.615 -8.934 1.00 0.00 N ATOM 0 H LYS A 87 -10.721 -2.302 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.992 -1.951 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.962 -0.118 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.749 -1.648 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.643 -0.985 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.860 0.554 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.865 0.981 -8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.768 -0.505 -8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.601 0.396 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.696 1.878 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.882 2.544 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.700 1.720 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.182 0.966 -9.296 1.00 0.00 H new ATOM 1333 N SER A 88 -7.727 0.489 -5.089 1.00 0.00 N ATOM 1334 CA SER A 88 -7.203 1.514 -4.204 1.00 0.00 C ATOM 1335 C SER A 88 -7.135 2.859 -4.934 1.00 0.00 C ATOM 1336 O SER A 88 -7.130 2.908 -6.165 1.00 0.00 O ATOM 1337 CB SER A 88 -5.822 1.075 -3.700 1.00 0.00 C ATOM 1338 OG SER A 88 -5.112 2.133 -3.086 1.00 0.00 O ATOM 0 H SER A 88 -7.375 0.548 -6.045 1.00 0.00 H new ATOM 0 HA SER A 88 -7.864 1.643 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.941 0.259 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.240 0.687 -4.536 1.00 0.00 H new ATOM 0 HG SER A 88 -5.590 2.424 -2.281 1.00 0.00 H new ATOM 1344 N THR A 89 -7.108 3.943 -4.169 1.00 0.00 N ATOM 1345 CA THR A 89 -7.091 5.283 -4.726 1.00 0.00 C ATOM 1346 C THR A 89 -5.833 6.033 -4.297 1.00 0.00 C ATOM 1347 O THR A 89 -5.364 5.887 -3.167 1.00 0.00 O ATOM 1348 CB THR A 89 -8.320 6.085 -4.276 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.496 5.261 -4.338 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.516 7.314 -5.151 1.00 0.00 C ATOM 0 H THR A 89 -7.097 3.915 -3.149 1.00 0.00 H new ATOM 0 HA THR A 89 -7.105 5.180 -5.811 1.00 0.00 H new ATOM 0 HB THR A 89 -8.155 6.410 -3.249 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.275 5.780 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.393 7.866 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.636 7.954 -5.082 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.660 7.004 -6.186 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.300 6.829 -5.205 1.00 0.00 N ATOM 1359 CA LEU A 90 -4.081 7.587 -4.960 1.00 0.00 C ATOM 1360 C LEU A 90 -4.264 9.047 -5.348 1.00 0.00 C ATOM 1361 O LEU A 90 -4.752 9.352 -6.437 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.915 6.993 -5.754 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.458 5.604 -5.311 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.408 5.062 -6.267 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -1.907 5.652 -3.895 1.00 0.00 C ATOM 0 H LEU A 90 -5.697 6.970 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.860 7.529 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.201 6.944 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.067 7.674 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.320 4.937 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.093 4.072 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.830 4.994 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.548 5.731 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.586 4.654 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.057 6.333 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.683 6.003 -3.214 1.00 0.00 H new ATOM 1377 N LYS A 91 -3.886 9.941 -4.446 1.00 0.00 N ATOM 1378 CA LYS A 91 -3.896 11.373 -4.716 1.00 0.00 C ATOM 1379 C LYS A 91 -2.731 12.039 -4.011 1.00 0.00 C ATOM 1380 O LYS A 91 -2.119 11.449 -3.127 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.198 12.023 -4.238 1.00 0.00 C ATOM 1382 CG LYS A 91 -6.383 11.801 -5.160 1.00 0.00 C ATOM 1383 CD LYS A 91 -7.632 12.485 -4.628 1.00 0.00 C ATOM 1384 CE LYS A 91 -8.097 11.857 -3.323 1.00 0.00 C ATOM 1385 NZ LYS A 91 -8.593 10.469 -3.527 1.00 0.00 N ATOM 0 H LYS A 91 -3.565 9.696 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.812 11.506 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.443 11.633 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.035 13.095 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.151 12.185 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.568 10.732 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.429 13.545 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.428 12.419 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.273 11.848 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.889 12.466 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.854 10.055 -2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.427 10.486 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.846 9.894 -3.966 1.00 0.00 H new ATOM 1399 N ARG A 92 -2.419 13.263 -4.399 1.00 0.00 N ATOM 1400 CA ARG A 92 -1.409 14.031 -3.701 1.00 0.00 C ATOM 1401 C ARG A 92 -2.068 14.992 -2.724 1.00 0.00 C ATOM 1402 O ARG A 92 -3.224 15.382 -2.903 1.00 0.00 O ATOM 1403 CB ARG A 92 -0.525 14.804 -4.669 1.00 0.00 C ATOM 1404 CG ARG A 92 -1.269 15.830 -5.494 1.00 0.00 C ATOM 1405 CD ARG A 92 -0.309 16.781 -6.195 1.00 0.00 C ATOM 1406 NE ARG A 92 -1.002 17.731 -7.062 1.00 0.00 N ATOM 1407 CZ ARG A 92 -1.612 18.836 -6.637 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -1.629 19.140 -5.342 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -2.200 19.638 -7.516 1.00 0.00 N ATOM 0 H ARG A 92 -2.849 13.743 -5.190 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.777 13.331 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 92 0.261 15.306 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.035 14.099 -5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.888 15.324 -6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.941 16.398 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.267 17.328 -5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.402 16.205 -6.787 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.020 17.534 -8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.173 18.525 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.098 19.988 -5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.183 19.406 -8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.669 20.486 -7.198 1.00 0.00 H new ATOM 1423 N GLY A 93 -1.337 15.368 -1.692 1.00 0.00 N ATOM 1424 CA GLY A 93 -1.869 16.289 -0.717 1.00 0.00 C ATOM 1425 C GLY A 93 -1.438 17.717 -0.980 1.00 0.00 C ATOM 1426 O GLY A 93 -1.160 18.089 -2.124 1.00 0.00 O ATOM 0 H GLY A 93 -0.384 15.052 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.958 16.233 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.541 15.990 0.279 1.00 0.00 H new ATOM 1430 N GLU A 94 -1.396 18.518 0.076 1.00 0.00 N ATOM 1431 CA GLU A 94 -0.970 19.908 -0.027 1.00 0.00 C ATOM 1432 C GLU A 94 0.542 19.982 -0.171 1.00 0.00 C ATOM 1433 O GLU A 94 1.075 20.691 -1.028 1.00 0.00 O ATOM 1434 CB GLU A 94 -1.414 20.682 1.216 1.00 0.00 C ATOM 1435 CG GLU A 94 -1.124 22.173 1.150 1.00 0.00 C ATOM 1436 CD GLU A 94 -1.492 22.891 2.428 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -2.691 22.925 2.772 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -0.579 23.415 3.104 1.00 0.00 O ATOM 0 H GLU A 94 -1.653 18.227 1.019 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.430 20.354 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.485 20.536 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.915 20.263 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.065 22.325 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.677 22.611 0.319 1.00 0.00 H new ATOM 1445 N ASN A 95 1.208 19.230 0.678 1.00 0.00 N ATOM 1446 CA ASN A 95 2.661 19.175 0.705 1.00 0.00 C ATOM 1447 C ASN A 95 3.146 17.967 -0.086 1.00 0.00 C ATOM 1448 O ASN A 95 2.407 17.418 -0.907 1.00 0.00 O ATOM 1449 CB ASN A 95 3.158 19.077 2.154 1.00 0.00 C ATOM 1450 CG ASN A 95 2.705 20.242 3.011 1.00 0.00 C ATOM 1451 OD1 ASN A 95 3.381 21.268 3.092 1.00 0.00 O ATOM 1452 ND2 ASN A 95 1.555 20.096 3.656 1.00 0.00 N ATOM 0 H ASN A 95 0.759 18.635 1.374 1.00 0.00 H new ATOM 0 HA ASN A 95 3.057 20.085 0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.799 18.147 2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.247 19.031 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.201 20.850 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.024 19.230 3.563 1.00 0.00 H new ATOM 1459 N GLY A 96 4.380 17.549 0.166 1.00 0.00 N ATOM 1460 CA GLY A 96 4.907 16.345 -0.451 1.00 0.00 C ATOM 1461 C GLY A 96 4.362 15.095 0.212 1.00 0.00 C ATOM 1462 O GLY A 96 5.116 14.203 0.613 1.00 0.00 O ATOM 0 H GLY A 96 5.030 18.026 0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.652 16.337 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.995 16.348 -0.385 1.00 0.00 H new ATOM 1466 N THR A 97 3.048 15.042 0.333 1.00 0.00 N ATOM 1467 CA THR A 97 2.373 13.941 0.978 1.00 0.00 C ATOM 1468 C THR A 97 1.472 13.209 -0.006 1.00 0.00 C ATOM 1469 O THR A 97 0.823 13.833 -0.852 1.00 0.00 O ATOM 1470 CB THR A 97 1.528 14.442 2.167 1.00 0.00 C ATOM 1471 OG1 THR A 97 0.696 15.533 1.747 1.00 0.00 O ATOM 1472 CG2 THR A 97 2.415 14.893 3.319 1.00 0.00 C ATOM 0 H THR A 97 2.421 15.766 -0.016 1.00 0.00 H new ATOM 0 HA THR A 97 3.135 13.253 1.344 1.00 0.00 H new ATOM 0 HB THR A 97 0.907 13.616 2.513 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.160 15.846 2.505 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.792 15.241 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.028 14.057 3.655 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.061 15.705 2.985 1.00 0.00 H new ATOM 1480 N LEU A 98 1.435 11.895 0.109 1.00 0.00 N ATOM 1481 CA LEU A 98 0.583 11.078 -0.736 1.00 0.00 C ATOM 1482 C LEU A 98 -0.643 10.645 0.049 1.00 0.00 C ATOM 1483 O LEU A 98 -0.543 10.261 1.217 1.00 0.00 O ATOM 1484 CB LEU A 98 1.338 9.842 -1.236 1.00 0.00 C ATOM 1485 CG LEU A 98 0.579 8.979 -2.252 1.00 0.00 C ATOM 1486 CD1 LEU A 98 0.473 9.695 -3.593 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.256 7.627 -2.416 1.00 0.00 C ATOM 0 H LEU A 98 1.989 11.367 0.784 1.00 0.00 H new ATOM 0 HA LEU A 98 0.278 11.669 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.275 10.167 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.596 9.222 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.430 8.813 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.069 9.066 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.061 10.636 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.473 9.896 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.703 7.029 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.277 7.772 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.273 7.110 -1.457 1.00 0.00 H new ATOM 1499 N ILE A 99 -1.797 10.739 -0.583 1.00 0.00 N ATOM 1500 CA ILE A 99 -3.022 10.255 0.011 1.00 0.00 C ATOM 1501 C ILE A 99 -3.319 8.869 -0.535 1.00 0.00 C ATOM 1502 O ILE A 99 -3.663 8.717 -1.711 1.00 0.00 O ATOM 1503 CB ILE A 99 -4.204 11.193 -0.313 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -3.862 12.631 0.080 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.472 10.728 0.389 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -3.704 12.843 1.571 1.00 0.00 C ATOM 0 H ILE A 99 -1.909 11.148 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.897 10.222 1.093 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.385 11.162 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.937 12.922 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.645 13.293 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.291 11.404 0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.723 9.720 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.311 10.726 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.462 13.888 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.635 12.585 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.901 12.209 1.946 1.00 0.00 H new ATOM 1518 N TRP A 100 -3.166 7.865 0.307 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.391 6.494 -0.110 1.00 0.00 C ATOM 1520 C TRP A 100 -4.678 5.970 0.499 1.00 0.00 C ATOM 1521 O TRP A 100 -4.781 5.793 1.713 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.206 5.603 0.289 1.00 0.00 C ATOM 1523 CG TRP A 100 -2.333 4.180 -0.187 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -3.069 3.732 -1.245 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -1.691 3.024 0.371 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -2.941 2.374 -1.369 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -2.099 1.913 -0.393 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -0.820 2.816 1.443 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -1.659 0.620 -0.124 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 -0.384 1.531 1.711 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -0.805 0.448 0.929 1.00 0.00 C ATOM 0 H TRP A 100 -2.887 7.972 1.282 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.481 6.472 -1.196 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.288 6.031 -0.114 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -2.109 5.607 1.375 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -3.666 4.358 -1.891 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.400 1.798 -2.075 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.492 3.645 2.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.981 -0.217 -0.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 0.292 1.360 2.536 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.447 -0.544 1.163 1.00 0.00 H new ATOM 1542 N GLU A 101 -5.659 5.741 -0.348 1.00 0.00 N ATOM 1543 CA GLU A 101 -6.916 5.170 0.087 1.00 0.00 C ATOM 1544 C GLU A 101 -7.007 3.741 -0.386 1.00 0.00 C ATOM 1545 O GLU A 101 -6.768 3.441 -1.553 1.00 0.00 O ATOM 1546 CB GLU A 101 -8.073 5.994 -0.457 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.214 7.325 0.248 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.017 8.333 -0.544 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -10.251 8.376 -0.375 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -8.419 9.090 -1.334 1.00 0.00 O ATOM 0 H GLU A 101 -5.610 5.943 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.969 5.183 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.924 6.165 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.999 5.429 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.691 7.168 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.222 7.733 0.444 1.00 0.00 H new ATOM 1557 N GLN A 102 -7.364 2.869 0.518 1.00 0.00 N ATOM 1558 CA GLN A 102 -7.375 1.445 0.233 1.00 0.00 C ATOM 1559 C GLN A 102 -8.425 0.732 1.057 1.00 0.00 C ATOM 1560 O GLN A 102 -8.391 0.790 2.287 1.00 0.00 O ATOM 1561 CB GLN A 102 -5.980 0.846 0.497 1.00 0.00 C ATOM 1562 CG GLN A 102 -5.910 -0.678 0.432 1.00 0.00 C ATOM 1563 CD GLN A 102 -5.906 -1.330 1.803 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -5.495 -0.728 2.792 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -6.323 -2.584 1.860 1.00 0.00 N ATOM 0 H GLN A 102 -7.654 3.114 1.465 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.627 1.306 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.280 1.258 -0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.643 1.169 1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.760 -1.051 -0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.009 -0.972 -0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.657 -3.049 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -6.310 -3.086 2.748 1.00 0.00 H new ATOM 1574 N ASN A 103 -9.395 0.119 0.372 1.00 0.00 N ATOM 1575 CA ASN A 103 -10.281 -0.864 1.001 1.00 0.00 C ATOM 1576 C ASN A 103 -11.243 -0.218 2.009 1.00 0.00 C ATOM 1577 O ASN A 103 -12.133 -0.871 2.548 1.00 0.00 O ATOM 1578 CB ASN A 103 -9.382 -1.911 1.664 1.00 0.00 C ATOM 1579 CG ASN A 103 -10.091 -3.105 2.254 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -11.202 -3.461 1.870 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -9.394 -3.766 3.158 1.00 0.00 N ATOM 0 H ASN A 103 -9.586 0.286 -0.616 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.923 -1.327 0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.664 -2.267 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.811 -1.424 2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.774 -4.617 3.573 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.475 -3.426 3.442 1.00 0.00 H new ATOM 1588 N GLY A 104 -11.073 1.074 2.242 1.00 0.00 N ATOM 1589 CA GLY A 104 -11.922 1.775 3.175 1.00 0.00 C ATOM 1590 C GLY A 104 -11.141 2.699 4.085 1.00 0.00 C ATOM 1591 O GLY A 104 -11.724 3.560 4.744 1.00 0.00 O ATOM 0 H GLY A 104 -10.358 1.650 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.663 2.354 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.468 1.051 3.779 1.00 0.00 H new ATOM 1595 N GLN A 105 -9.823 2.536 4.131 1.00 0.00 N ATOM 1596 CA GLN A 105 -9.005 3.385 4.988 1.00 0.00 C ATOM 1597 C GLN A 105 -8.182 4.369 4.169 1.00 0.00 C ATOM 1598 O GLN A 105 -7.611 4.015 3.137 1.00 0.00 O ATOM 1599 CB GLN A 105 -8.086 2.548 5.884 1.00 0.00 C ATOM 1600 CG GLN A 105 -7.184 1.586 5.129 1.00 0.00 C ATOM 1601 CD GLN A 105 -6.154 0.925 6.027 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -5.046 1.432 6.193 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -6.517 -0.198 6.629 1.00 0.00 N ATOM 0 H GLN A 105 -9.307 1.838 3.596 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.685 3.951 5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.466 3.220 6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.699 1.980 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.795 0.817 4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.673 2.124 4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.446 -0.587 6.465 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.868 -0.673 7.256 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.163 5.615 4.622 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.349 6.654 4.008 1.00 0.00 C ATOM 1614 C ARG A 106 -6.089 6.896 4.835 1.00 0.00 C ATOM 1615 O ARG A 106 -6.171 7.130 6.042 1.00 0.00 O ATOM 1616 CB ARG A 106 -8.149 7.953 3.887 1.00 0.00 C ATOM 1617 CG ARG A 106 -7.373 9.089 3.241 1.00 0.00 C ATOM 1618 CD ARG A 106 -8.192 10.369 3.192 1.00 0.00 C ATOM 1619 NE ARG A 106 -8.558 10.842 4.526 1.00 0.00 N ATOM 1620 CZ ARG A 106 -8.494 12.115 4.913 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -8.091 13.051 4.060 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -8.844 12.446 6.149 1.00 0.00 N ATOM 0 H ARG A 106 -8.709 5.933 5.423 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.060 6.323 3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.050 7.762 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.473 8.264 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.453 9.266 3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.082 8.803 2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.623 11.143 2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.096 10.197 2.608 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.883 10.153 5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.830 12.795 3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.042 14.025 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.161 11.727 6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.796 13.420 6.449 1.00 0.00 H new ATOM 1636 N LYS A 107 -4.932 6.836 4.197 1.00 0.00 N ATOM 1637 CA LYS A 107 -3.680 7.101 4.882 1.00 0.00 C ATOM 1638 C LYS A 107 -2.961 8.306 4.292 1.00 0.00 C ATOM 1639 O LYS A 107 -2.704 8.357 3.088 1.00 0.00 O ATOM 1640 CB LYS A 107 -2.773 5.895 4.823 1.00 0.00 C ATOM 1641 CG LYS A 107 -2.569 5.264 6.186 1.00 0.00 C ATOM 1642 CD LYS A 107 -1.788 3.980 6.080 1.00 0.00 C ATOM 1643 CE LYS A 107 -2.471 3.042 5.120 1.00 0.00 C ATOM 1644 NZ LYS A 107 -1.740 1.754 4.986 1.00 0.00 N ATOM 0 H LYS A 107 -4.835 6.607 3.208 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.923 7.320 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.197 5.157 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.807 6.189 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.041 5.961 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.537 5.067 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.774 4.188 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.705 3.513 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.487 2.848 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.550 3.518 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.324 1.077 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.846 1.913 4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.538 1.370 5.931 1.00 0.00 H new ATOM 1658 N THR A 108 -2.646 9.277 5.135 1.00 0.00 N ATOM 1659 CA THR A 108 -1.844 10.410 4.716 1.00 0.00 C ATOM 1660 C THR A 108 -0.383 10.147 5.059 1.00 0.00 C ATOM 1661 O THR A 108 -0.021 10.057 6.232 1.00 0.00 O ATOM 1662 CB THR A 108 -2.309 11.708 5.404 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.731 11.850 5.266 1.00 0.00 O ATOM 1664 CG2 THR A 108 -1.610 12.923 4.808 1.00 0.00 C ATOM 0 H THR A 108 -2.935 9.301 6.113 1.00 0.00 H new ATOM 0 HA THR A 108 -1.961 10.535 3.639 1.00 0.00 H new ATOM 0 HB THR A 108 -2.049 11.647 6.461 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.022 12.676 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.956 13.825 5.312 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.533 12.824 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.840 12.990 3.745 1.00 0.00 H new ATOM 1672 N MET A 109 0.447 10.011 4.038 1.00 0.00 N ATOM 1673 CA MET A 109 1.848 9.671 4.241 1.00 0.00 C ATOM 1674 C MET A 109 2.757 10.690 3.574 1.00 0.00 C ATOM 1675 O MET A 109 2.385 11.315 2.582 1.00 0.00 O ATOM 1676 CB MET A 109 2.135 8.271 3.696 1.00 0.00 C ATOM 1677 CG MET A 109 1.847 8.123 2.208 1.00 0.00 C ATOM 1678 SD MET A 109 1.983 6.420 1.636 1.00 0.00 S ATOM 1679 CE MET A 109 0.737 5.628 2.647 1.00 0.00 C ATOM 0 H MET A 109 0.177 10.130 3.062 1.00 0.00 H new ATOM 0 HA MET A 109 2.050 9.684 5.312 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.181 8.026 3.881 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.536 7.546 4.247 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.843 8.493 1.998 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.541 8.747 1.645 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.056 4.615 2.891 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.600 6.196 3.567 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.205 5.590 2.100 1.00 0.00 H new ATOM 1689 N THR A 110 3.944 10.862 4.123 1.00 0.00 N ATOM 1690 CA THR A 110 4.893 11.816 3.582 1.00 0.00 C ATOM 1691 C THR A 110 5.933 11.097 2.732 1.00 0.00 C ATOM 1692 O THR A 110 6.176 9.901 2.916 1.00 0.00 O ATOM 1693 CB THR A 110 5.593 12.589 4.710 1.00 0.00 C ATOM 1694 OG1 THR A 110 4.650 12.877 5.755 1.00 0.00 O ATOM 1695 CG2 THR A 110 6.192 13.894 4.200 1.00 0.00 C ATOM 0 H THR A 110 4.274 10.354 4.943 1.00 0.00 H new ATOM 0 HA THR A 110 4.346 12.525 2.961 1.00 0.00 H new ATOM 0 HB THR A 110 6.401 11.967 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.099 13.369 6.474 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.680 14.417 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.924 13.679 3.422 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.401 14.522 3.790 1.00 0.00 H new ATOM 1703 N ARG A 111 6.541 11.818 1.808 1.00 0.00 N ATOM 1704 CA ARG A 111 7.534 11.234 0.923 1.00 0.00 C ATOM 1705 C ARG A 111 8.911 11.295 1.560 1.00 0.00 C ATOM 1706 O ARG A 111 9.260 12.275 2.223 1.00 0.00 O ATOM 1707 CB ARG A 111 7.558 11.949 -0.433 1.00 0.00 C ATOM 1708 CG ARG A 111 8.536 11.333 -1.424 1.00 0.00 C ATOM 1709 CD ARG A 111 8.409 11.954 -2.807 1.00 0.00 C ATOM 1710 NE ARG A 111 9.412 11.421 -3.730 1.00 0.00 N ATOM 1711 CZ ARG A 111 9.142 10.556 -4.710 1.00 0.00 C ATOM 1712 NH1 ARG A 111 7.899 10.130 -4.909 1.00 0.00 N ATOM 1713 NH2 ARG A 111 10.117 10.114 -5.497 1.00 0.00 N ATOM 0 H ARG A 111 6.365 12.810 1.650 1.00 0.00 H new ATOM 0 HA ARG A 111 7.260 10.192 0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.557 11.930 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.819 12.996 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.554 11.465 -1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.358 10.260 -1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.411 11.763 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.520 13.036 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 111 10.378 11.730 -3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.143 10.464 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.701 9.469 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.074 10.436 -5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.908 9.453 -6.245 1.00 0.00 H new ATOM 1727 N ILE A 112 9.683 10.241 1.362 1.00 0.00 N ATOM 1728 CA ILE A 112 11.053 10.207 1.830 1.00 0.00 C ATOM 1729 C ILE A 112 11.902 11.122 0.957 1.00 0.00 C ATOM 1730 O ILE A 112 11.634 11.279 -0.237 1.00 0.00 O ATOM 1731 CB ILE A 112 11.616 8.774 1.798 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.652 7.825 2.517 1.00 0.00 C ATOM 1733 CG2 ILE A 112 13.003 8.716 2.434 1.00 0.00 C ATOM 1734 CD1 ILE A 112 10.490 8.113 3.995 1.00 0.00 C ATOM 0 H ILE A 112 9.381 9.395 0.878 1.00 0.00 H new ATOM 0 HA ILE A 112 11.079 10.552 2.864 1.00 0.00 H new ATOM 0 HB ILE A 112 11.715 8.461 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.675 7.884 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.007 6.802 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.377 7.693 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.682 9.370 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.941 9.044 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.792 7.398 4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.457 8.025 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.105 9.124 4.129 1.00 0.00 H new ATOM 1746 N GLU A 113 12.909 11.722 1.556 1.00 0.00 N ATOM 1747 CA GLU A 113 13.741 12.694 0.867 1.00 0.00 C ATOM 1748 C GLU A 113 14.680 12.002 -0.114 1.00 0.00 C ATOM 1749 O GLU A 113 15.638 11.339 0.275 1.00 0.00 O ATOM 1750 CB GLU A 113 14.521 13.578 1.861 1.00 0.00 C ATOM 1751 CG GLU A 113 15.088 12.846 3.074 1.00 0.00 C ATOM 1752 CD GLU A 113 14.046 12.567 4.136 1.00 0.00 C ATOM 1753 OE1 GLU A 113 13.708 13.492 4.904 1.00 0.00 O ATOM 1754 OE2 GLU A 113 13.556 11.422 4.205 1.00 0.00 O ATOM 0 H GLU A 113 13.175 11.554 2.526 1.00 0.00 H new ATOM 0 HA GLU A 113 13.084 13.352 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 113 15.343 14.057 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.862 14.372 2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.529 11.904 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.891 13.441 3.508 1.00 0.00 H new