USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 829 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 29:sc= 0.565 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -5.83! C(o=-5.8!,f=-6.5!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.06 K(o=-0.06,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= -0.705 K(o=-0.71,f=-3.2!) USER MOD Single : A 49 GLN : amide:sc= -3.04! K(o=-3!,f=0.67) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0841 K(o=-0.084,f=-0.88) USER MOD Single : A 59 THR OG1 : rot -25:sc= 0.0276 USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= -0.802 (180deg=-0.869) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-0.02) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 46:sc= 0.648 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 173:sc= -1.79! USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.0453 K(o=-0.045,f=-3.1!) USER MOD Single : A 103 MET CE :methyl -175:sc= -1.79 (180deg=-1.95) USER MOD Single : A 104 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.503) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N ILE A 18 26.740 -3.110 7.046 1.00 0.00 N ATOM 229 CA ILE A 18 25.531 -2.317 6.856 1.00 0.00 C ATOM 230 C ILE A 18 25.740 -0.878 7.315 1.00 0.00 C ATOM 231 O ILE A 18 26.368 -0.629 8.344 1.00 0.00 O ATOM 232 CB ILE A 18 24.337 -2.920 7.619 1.00 0.00 C ATOM 233 CG1 ILE A 18 24.103 -4.368 7.182 1.00 0.00 C ATOM 234 CG2 ILE A 18 23.087 -2.084 7.391 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.984 -5.052 7.935 1.00 0.00 C ATOM 0 HA ILE A 18 25.311 -2.327 5.788 1.00 0.00 H new ATOM 0 HB ILE A 18 24.565 -2.914 8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.877 -4.385 6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 18 25.024 -4.935 7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 18 22.251 -2.523 7.937 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.259 -1.068 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.853 -2.062 6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.874 -6.074 7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 18 23.217 -5.066 9.000 1.00 0.00 H new ATOM 0 HD13 ILE A 18 22.053 -4.509 7.775 1.00 0.00 H new ATOM 247 N ALA A 19 25.208 0.066 6.546 1.00 0.00 N ATOM 248 CA ALA A 19 25.332 1.480 6.876 1.00 0.00 C ATOM 249 C ALA A 19 24.302 1.892 7.922 1.00 0.00 C ATOM 250 O ALA A 19 24.625 2.592 8.881 1.00 0.00 O ATOM 251 CB ALA A 19 25.183 2.329 5.622 1.00 0.00 C ATOM 0 H ALA A 19 24.687 -0.123 5.690 1.00 0.00 H new ATOM 0 HA ALA A 19 26.324 1.644 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.278 3.383 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 19 25.960 2.061 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.204 2.152 5.177 1.00 0.00 H new ATOM 257 N GLU A 20 23.062 1.454 7.730 1.00 0.00 N ATOM 258 CA GLU A 20 21.985 1.780 8.657 1.00 0.00 C ATOM 259 C GLU A 20 20.782 0.866 8.437 1.00 0.00 C ATOM 260 O GLU A 20 20.390 0.576 7.307 1.00 0.00 O ATOM 261 CB GLU A 20 21.565 3.242 8.493 1.00 0.00 C ATOM 262 CG GLU A 20 20.696 3.757 9.627 1.00 0.00 C ATOM 263 CD GLU A 20 20.337 5.222 9.469 1.00 0.00 C ATOM 264 OE1 GLU A 20 19.462 5.530 8.633 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.930 6.059 10.180 1.00 0.00 O ATOM 0 H GLU A 20 22.778 0.873 6.941 1.00 0.00 H new ATOM 0 HA GLU A 20 22.355 1.628 9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.459 3.862 8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.024 3.352 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.781 3.166 9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 21.218 3.615 10.573 1.00 0.00 H new ATOM 272 N PRO A 21 20.183 0.401 9.543 1.00 0.00 N ATOM 273 CA PRO A 21 19.017 -0.487 9.498 1.00 0.00 C ATOM 274 C PRO A 21 17.765 0.227 9.002 1.00 0.00 C ATOM 275 O PRO A 21 17.575 1.424 9.221 1.00 0.00 O ATOM 276 CB PRO A 21 18.844 -0.919 10.956 1.00 0.00 C ATOM 277 CG PRO A 21 19.459 0.180 11.753 1.00 0.00 C ATOM 278 CD PRO A 21 20.598 0.705 10.923 1.00 0.00 C ATOM 0 HA PRO A 21 19.163 -1.318 8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.792 -1.049 11.208 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.338 -1.871 11.148 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.732 0.966 11.960 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.814 -0.188 12.716 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.744 1.775 11.072 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.539 0.216 11.177 1.00 0.00 H new ATOM 286 N PRO A 22 16.888 -0.522 8.317 1.00 0.00 N ATOM 287 CA PRO A 22 15.637 0.018 7.777 1.00 0.00 C ATOM 288 C PRO A 22 14.634 0.366 8.872 1.00 0.00 C ATOM 289 O PRO A 22 14.788 -0.045 10.022 1.00 0.00 O ATOM 290 CB PRO A 22 15.104 -1.123 6.907 1.00 0.00 C ATOM 291 CG PRO A 22 15.699 -2.356 7.494 1.00 0.00 C ATOM 292 CD PRO A 22 17.049 -1.955 8.019 1.00 0.00 C ATOM 0 HA PRO A 22 15.797 0.949 7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.015 -1.161 6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.399 -0.998 5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.071 -2.750 8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.790 -3.141 6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.319 -2.523 8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.834 -2.126 7.282 1.00 0.00 H new ATOM 300 N LYS A 23 13.606 1.125 8.507 1.00 0.00 N ATOM 301 CA LYS A 23 12.577 1.527 9.458 1.00 0.00 C ATOM 302 C LYS A 23 11.432 2.244 8.749 1.00 0.00 C ATOM 303 O LYS A 23 11.564 3.403 8.353 1.00 0.00 O ATOM 304 CB LYS A 23 13.174 2.437 10.534 1.00 0.00 C ATOM 305 CG LYS A 23 12.196 2.792 11.641 1.00 0.00 C ATOM 306 CD LYS A 23 11.925 1.604 12.548 1.00 0.00 C ATOM 307 CE LYS A 23 12.950 1.512 13.668 1.00 0.00 C ATOM 308 NZ LYS A 23 12.692 0.349 14.561 1.00 0.00 N ATOM 0 H LYS A 23 13.464 1.474 7.559 1.00 0.00 H new ATOM 0 HA LYS A 23 12.183 0.627 9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.043 1.946 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.529 3.355 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.596 3.617 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.260 3.138 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.926 1.691 12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.942 0.686 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.949 1.427 13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.931 2.431 14.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.412 0.321 15.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.749 0.443 14.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.735 -0.530 14.007 1.00 0.00 H new ATOM 322 N ILE A 24 10.310 1.549 8.593 1.00 0.00 N ATOM 323 CA ILE A 24 9.143 2.121 7.934 1.00 0.00 C ATOM 324 C ILE A 24 8.381 3.049 8.874 1.00 0.00 C ATOM 325 O ILE A 24 7.722 2.597 9.811 1.00 0.00 O ATOM 326 CB ILE A 24 8.187 1.024 7.429 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.888 0.147 6.389 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.928 1.646 6.844 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.157 -1.145 6.098 1.00 0.00 C ATOM 0 H ILE A 24 10.185 0.589 8.914 1.00 0.00 H new ATOM 0 HA ILE A 24 9.511 2.692 7.081 1.00 0.00 H new ATOM 0 HB ILE A 24 7.899 0.396 8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.995 0.711 5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.894 -0.085 6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.263 0.858 6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.422 2.232 7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.196 2.294 6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.710 -1.716 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.073 -1.730 7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.160 -0.921 5.717 1.00 0.00 H new ATOM 341 N ARG A 25 8.475 4.350 8.617 1.00 0.00 N ATOM 342 CA ARG A 25 7.794 5.342 9.440 1.00 0.00 C ATOM 343 C ARG A 25 6.451 5.728 8.827 1.00 0.00 C ATOM 344 O ARG A 25 6.329 6.765 8.175 1.00 0.00 O ATOM 345 CB ARG A 25 8.668 6.587 9.603 1.00 0.00 C ATOM 346 CG ARG A 25 10.071 6.285 10.105 1.00 0.00 C ATOM 347 CD ARG A 25 10.083 6.028 11.603 1.00 0.00 C ATOM 348 NE ARG A 25 9.654 7.199 12.363 1.00 0.00 N ATOM 349 CZ ARG A 25 10.481 8.157 12.766 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.774 8.084 12.482 1.00 0.00 N ATOM 351 NH2 ARG A 25 10.015 9.192 13.453 1.00 0.00 N ATOM 0 H ARG A 25 9.016 4.741 7.846 1.00 0.00 H new ATOM 0 HA ARG A 25 7.613 4.901 10.421 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.737 7.100 8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.183 7.273 10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.466 5.414 9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.730 7.122 9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.428 5.187 11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.088 5.743 11.914 1.00 0.00 H new ATOM 0 HE ARG A 25 8.665 7.286 12.597 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.136 7.291 11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.407 8.821 12.793 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.021 9.253 13.672 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.651 9.927 13.762 1.00 0.00 H new ATOM 365 N LEU A 26 5.446 4.886 9.040 1.00 0.00 N ATOM 366 CA LEU A 26 4.111 5.137 8.509 1.00 0.00 C ATOM 367 C LEU A 26 3.650 6.553 8.841 1.00 0.00 C ATOM 368 O LEU A 26 3.903 7.075 9.927 1.00 0.00 O ATOM 369 CB LEU A 26 3.117 4.120 9.071 1.00 0.00 C ATOM 370 CG LEU A 26 2.950 2.829 8.268 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.155 1.805 9.063 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.275 3.114 6.935 1.00 0.00 C ATOM 0 H LEU A 26 5.530 4.023 9.577 1.00 0.00 H new ATOM 0 HA LEU A 26 4.153 5.033 7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.429 3.858 10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.143 4.602 9.153 1.00 0.00 H new ATOM 0 HG LEU A 26 3.939 2.416 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.046 0.893 8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.679 1.578 9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.169 2.208 9.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.164 2.184 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.292 3.551 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.884 3.812 6.360 1.00 0.00 H new ATOM 384 N PRO A 27 2.956 7.189 7.886 1.00 0.00 N ATOM 385 CA PRO A 27 2.443 8.552 8.055 1.00 0.00 C ATOM 386 C PRO A 27 1.304 8.621 9.066 1.00 0.00 C ATOM 387 O PRO A 27 1.091 7.688 9.840 1.00 0.00 O ATOM 388 CB PRO A 27 1.940 8.917 6.656 1.00 0.00 C ATOM 389 CG PRO A 27 1.625 7.611 6.013 1.00 0.00 C ATOM 390 CD PRO A 27 2.618 6.627 6.567 1.00 0.00 C ATOM 0 HA PRO A 27 3.205 9.230 8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.058 9.556 6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.697 9.463 6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.604 7.302 6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.707 7.680 4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.189 5.629 6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.498 6.542 5.929 1.00 0.00 H new ATOM 398 N ARG A 28 0.574 9.731 9.053 1.00 0.00 N ATOM 399 CA ARG A 28 -0.544 9.922 9.970 1.00 0.00 C ATOM 400 C ARG A 28 -1.865 9.990 9.210 1.00 0.00 C ATOM 401 O ARG A 28 -2.931 10.133 9.809 1.00 0.00 O ATOM 402 CB ARG A 28 -0.348 11.199 10.788 1.00 0.00 C ATOM 403 CG ARG A 28 -0.992 12.427 10.166 1.00 0.00 C ATOM 404 CD ARG A 28 -0.402 13.711 10.726 1.00 0.00 C ATOM 405 NE ARG A 28 -0.480 14.812 9.770 1.00 0.00 N ATOM 406 CZ ARG A 28 0.239 15.925 9.871 1.00 0.00 C ATOM 407 NH1 ARG A 28 1.085 16.083 10.880 1.00 0.00 N ATOM 408 NH2 ARG A 28 0.113 16.882 8.961 1.00 0.00 N ATOM 0 H ARG A 28 0.736 10.512 8.418 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.577 9.067 10.646 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.762 11.048 11.785 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.720 11.382 10.910 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.854 12.403 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.066 12.408 10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.931 13.985 11.639 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.639 13.542 11.000 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.121 14.722 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.185 15.349 11.581 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.636 16.938 10.955 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.536 16.764 8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.665 17.736 9.039 1.00 0.00 H new ATOM 422 N HIS A 29 -1.787 9.887 7.887 1.00 0.00 N ATOM 423 CA HIS A 29 -2.976 9.937 7.044 1.00 0.00 C ATOM 424 C HIS A 29 -3.444 8.531 6.682 1.00 0.00 C ATOM 425 O HIS A 29 -4.637 8.293 6.488 1.00 0.00 O ATOM 426 CB HIS A 29 -2.693 10.737 5.772 1.00 0.00 C ATOM 427 CG HIS A 29 -1.376 10.408 5.139 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.215 9.390 4.223 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.155 10.971 5.293 1.00 0.00 C ATOM 430 CE1 HIS A 29 0.049 9.340 3.843 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.713 10.289 4.476 1.00 0.00 N ATOM 0 H HIS A 29 -0.912 9.768 7.376 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.769 10.432 7.605 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.490 10.552 5.051 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.718 11.801 6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.091 11.802 5.938 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.468 8.641 3.134 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.709 10.484 4.375 1.00 0.00 H new ATOM 440 N LEU A 30 -2.498 7.603 6.591 1.00 0.00 N ATOM 441 CA LEU A 30 -2.814 6.220 6.251 1.00 0.00 C ATOM 442 C LEU A 30 -3.341 5.466 7.468 1.00 0.00 C ATOM 443 O LEU A 30 -4.200 4.593 7.345 1.00 0.00 O ATOM 444 CB LEU A 30 -1.574 5.514 5.698 1.00 0.00 C ATOM 445 CG LEU A 30 -1.268 5.756 4.219 1.00 0.00 C ATOM 446 CD1 LEU A 30 -0.016 5.001 3.803 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.452 5.346 3.355 1.00 0.00 C ATOM 0 H LEU A 30 -1.506 7.783 6.748 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.592 6.229 5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.710 5.828 6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.691 4.442 5.854 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.090 6.822 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.186 5.185 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.830 5.343 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.165 3.933 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.216 5.525 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.662 4.287 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.327 5.932 3.635 1.00 0.00 H new ATOM 459 N ARG A 31 -2.821 5.811 8.642 1.00 0.00 N ATOM 460 CA ARG A 31 -3.240 5.168 9.881 1.00 0.00 C ATOM 461 C ARG A 31 -4.750 4.946 9.895 1.00 0.00 C ATOM 462 O ARG A 31 -5.232 3.925 10.386 1.00 0.00 O ATOM 463 CB ARG A 31 -2.828 6.016 11.085 1.00 0.00 C ATOM 464 CG ARG A 31 -1.329 6.251 11.179 1.00 0.00 C ATOM 465 CD ARG A 31 -0.957 6.965 12.469 1.00 0.00 C ATOM 466 NE ARG A 31 -1.143 6.113 13.640 1.00 0.00 N ATOM 467 CZ ARG A 31 -2.288 6.022 14.308 1.00 0.00 C ATOM 468 NH1 ARG A 31 -3.342 6.727 13.923 1.00 0.00 N ATOM 469 NH2 ARG A 31 -2.379 5.223 15.364 1.00 0.00 N ATOM 0 H ARG A 31 -2.109 6.532 8.760 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.747 4.198 9.942 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.336 6.979 11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.169 5.526 11.997 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.806 5.296 11.126 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.998 6.843 10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.083 7.288 12.417 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.565 7.863 12.574 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.351 5.557 13.963 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.276 7.342 13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.220 6.655 14.438 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.570 4.679 15.663 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.258 5.153 15.877 1.00 0.00 H new ATOM 483 N GLN A 32 -5.489 5.909 9.354 1.00 0.00 N ATOM 484 CA GLN A 32 -6.944 5.818 9.306 1.00 0.00 C ATOM 485 C GLN A 32 -7.418 5.410 7.915 1.00 0.00 C ATOM 486 O GLN A 32 -6.881 5.866 6.905 1.00 0.00 O ATOM 487 CB GLN A 32 -7.572 7.156 9.700 1.00 0.00 C ATOM 488 CG GLN A 32 -7.143 8.315 8.814 1.00 0.00 C ATOM 489 CD GLN A 32 -7.970 9.564 9.044 1.00 0.00 C ATOM 490 OE1 GLN A 32 -9.130 9.638 8.637 1.00 0.00 O ATOM 491 NE2 GLN A 32 -7.378 10.554 9.701 1.00 0.00 N ATOM 0 H GLN A 32 -5.105 6.760 8.943 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.259 5.053 10.016 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.657 7.063 9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.307 7.382 10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.093 8.540 9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.225 8.017 7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.415 10.450 10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.886 11.419 9.887 1.00 0.00 H new ATOM 500 N THR A 33 -8.429 4.548 7.869 1.00 0.00 N ATOM 501 CA THR A 33 -8.975 4.077 6.603 1.00 0.00 C ATOM 502 C THR A 33 -8.948 5.178 5.549 1.00 0.00 C ATOM 503 O THR A 33 -9.768 6.096 5.576 1.00 0.00 O ATOM 504 CB THR A 33 -10.422 3.574 6.767 1.00 0.00 C ATOM 505 OG1 THR A 33 -10.546 2.825 7.981 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.831 2.707 5.586 1.00 0.00 C ATOM 0 H THR A 33 -8.886 4.162 8.695 1.00 0.00 H new ATOM 0 HA THR A 33 -8.346 3.249 6.276 1.00 0.00 H new ATOM 0 HB THR A 33 -11.082 4.441 6.807 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.469 2.510 8.078 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.856 2.364 5.724 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.764 3.289 4.667 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.166 1.846 5.519 1.00 0.00 H new ATOM 514 N TYR A 34 -8.002 5.080 4.622 1.00 0.00 N ATOM 515 CA TYR A 34 -7.868 6.070 3.560 1.00 0.00 C ATOM 516 C TYR A 34 -9.133 6.132 2.710 1.00 0.00 C ATOM 517 O TYR A 34 -9.333 5.312 1.814 1.00 0.00 O ATOM 518 CB TYR A 34 -6.663 5.740 2.677 1.00 0.00 C ATOM 519 CG TYR A 34 -6.275 6.861 1.739 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.362 7.833 2.127 1.00 0.00 C ATOM 521 CD2 TYR A 34 -6.823 6.948 0.465 1.00 0.00 C ATOM 522 CE1 TYR A 34 -5.005 8.859 1.274 1.00 0.00 C ATOM 523 CE2 TYR A 34 -6.470 7.969 -0.396 1.00 0.00 C ATOM 524 CZ TYR A 34 -5.561 8.923 0.013 1.00 0.00 C ATOM 525 OH TYR A 34 -5.209 9.943 -0.840 1.00 0.00 O ATOM 0 H TYR A 34 -7.317 4.325 4.584 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.716 7.045 4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.812 5.499 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.886 4.848 2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.924 7.786 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.537 6.205 0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.294 9.607 1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.903 8.020 -1.384 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.690 9.841 -1.688 1.00 0.00 H new ATOM 535 N ILE A 35 -9.984 7.111 2.999 1.00 0.00 N ATOM 536 CA ILE A 35 -11.229 7.283 2.262 1.00 0.00 C ATOM 537 C ILE A 35 -11.030 8.185 1.049 1.00 0.00 C ATOM 538 O ILE A 35 -10.625 9.340 1.182 1.00 0.00 O ATOM 539 CB ILE A 35 -12.335 7.877 3.154 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.555 6.997 4.386 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.627 8.029 2.366 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.475 5.515 4.091 1.00 0.00 C ATOM 0 H ILE A 35 -9.833 7.797 3.739 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.537 6.292 1.928 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.019 8.865 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.811 7.250 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.532 7.222 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.399 8.450 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.460 8.693 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.949 7.053 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.640 4.952 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.237 5.248 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.489 5.276 3.692 1.00 0.00 H new ATOM 554 N ARG A 36 -11.319 7.651 -0.133 1.00 0.00 N ATOM 555 CA ARG A 36 -11.172 8.409 -1.370 1.00 0.00 C ATOM 556 C ARG A 36 -12.193 7.955 -2.410 1.00 0.00 C ATOM 557 O ARG A 36 -12.585 6.788 -2.444 1.00 0.00 O ATOM 558 CB ARG A 36 -9.756 8.248 -1.927 1.00 0.00 C ATOM 559 CG ARG A 36 -9.305 9.414 -2.791 1.00 0.00 C ATOM 560 CD ARG A 36 -8.740 10.547 -1.947 1.00 0.00 C ATOM 561 NE ARG A 36 -9.784 11.454 -1.479 1.00 0.00 N ATOM 562 CZ ARG A 36 -10.414 12.318 -2.266 1.00 0.00 C ATOM 563 NH1 ARG A 36 -10.108 12.393 -3.554 1.00 0.00 N ATOM 564 NH2 ARG A 36 -11.354 13.111 -1.765 1.00 0.00 N ATOM 0 H ARG A 36 -11.656 6.697 -0.260 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.350 9.461 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.059 8.131 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.708 7.331 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.549 9.073 -3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.147 9.781 -3.378 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.210 10.131 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.010 11.106 -2.532 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.044 11.422 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.387 11.786 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.594 13.058 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.593 13.057 -0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.837 13.774 -2.370 1.00 0.00 H new ATOM 578 N LYS A 37 -12.620 8.886 -3.257 1.00 0.00 N ATOM 579 CA LYS A 37 -13.595 8.583 -4.298 1.00 0.00 C ATOM 580 C LYS A 37 -12.973 7.719 -5.391 1.00 0.00 C ATOM 581 O LYS A 37 -11.751 7.653 -5.523 1.00 0.00 O ATOM 582 CB LYS A 37 -14.141 9.877 -4.905 1.00 0.00 C ATOM 583 CG LYS A 37 -15.374 10.409 -4.195 1.00 0.00 C ATOM 584 CD LYS A 37 -15.703 11.826 -4.635 1.00 0.00 C ATOM 585 CE LYS A 37 -16.624 11.834 -5.846 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.617 13.152 -6.539 1.00 0.00 N ATOM 0 H LYS A 37 -12.306 9.856 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.415 8.028 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.361 10.638 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.383 9.703 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.223 9.757 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.211 10.390 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.176 12.363 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.782 12.357 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.314 11.055 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.640 11.594 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.257 13.117 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.937 13.892 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.653 13.369 -6.862 1.00 0.00 H new ATOM 600 N VAL A 38 -13.822 7.060 -6.172 1.00 0.00 N ATOM 601 CA VAL A 38 -13.356 6.202 -7.255 1.00 0.00 C ATOM 602 C VAL A 38 -12.838 7.029 -8.427 1.00 0.00 C ATOM 603 O VAL A 38 -13.376 8.091 -8.736 1.00 0.00 O ATOM 604 CB VAL A 38 -14.476 5.269 -7.754 1.00 0.00 C ATOM 605 CG1 VAL A 38 -15.669 6.079 -8.238 1.00 0.00 C ATOM 606 CG2 VAL A 38 -13.957 4.357 -8.856 1.00 0.00 C ATOM 0 H VAL A 38 -14.836 7.104 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.543 5.598 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.804 4.645 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.450 5.403 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -16.053 6.686 -7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.360 6.729 -9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.761 3.705 -9.197 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.601 4.961 -9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.137 3.751 -8.471 1.00 0.00 H new ATOM 616 N GLY A 39 -11.790 6.533 -9.077 1.00 0.00 N ATOM 617 CA GLY A 39 -11.217 7.238 -10.209 1.00 0.00 C ATOM 618 C GLY A 39 -10.367 8.419 -9.785 1.00 0.00 C ATOM 619 O GLY A 39 -9.654 9.003 -10.601 1.00 0.00 O ATOM 0 H GLY A 39 -11.327 5.655 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.609 6.548 -10.793 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.019 7.586 -10.860 1.00 0.00 H new ATOM 623 N GLU A 40 -10.442 8.772 -8.506 1.00 0.00 N ATOM 624 CA GLU A 40 -9.675 9.894 -7.977 1.00 0.00 C ATOM 625 C GLU A 40 -8.194 9.538 -7.871 1.00 0.00 C ATOM 626 O GLU A 40 -7.839 8.382 -7.641 1.00 0.00 O ATOM 627 CB GLU A 40 -10.211 10.306 -6.605 1.00 0.00 C ATOM 628 CG GLU A 40 -11.357 11.301 -6.673 1.00 0.00 C ATOM 629 CD GLU A 40 -10.930 12.644 -7.234 1.00 0.00 C ATOM 630 OE1 GLU A 40 -10.332 13.440 -6.480 1.00 0.00 O ATOM 631 OE2 GLU A 40 -11.195 12.899 -8.427 1.00 0.00 O ATOM 0 H GLU A 40 -11.026 8.298 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.782 10.731 -8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.545 9.416 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.398 10.740 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.154 10.890 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.770 11.443 -5.674 1.00 0.00 H new ATOM 638 N GLN A 41 -7.338 10.540 -8.041 1.00 0.00 N ATOM 639 CA GLN A 41 -5.896 10.332 -7.965 1.00 0.00 C ATOM 640 C GLN A 41 -5.472 9.972 -6.546 1.00 0.00 C ATOM 641 O GLN A 41 -5.878 10.621 -5.581 1.00 0.00 O ATOM 642 CB GLN A 41 -5.154 11.587 -8.429 1.00 0.00 C ATOM 643 CG GLN A 41 -5.221 11.812 -9.931 1.00 0.00 C ATOM 644 CD GLN A 41 -4.885 13.238 -10.323 1.00 0.00 C ATOM 645 OE1 GLN A 41 -5.220 14.185 -9.610 1.00 0.00 O ATOM 646 NE2 GLN A 41 -4.218 13.398 -11.460 1.00 0.00 N ATOM 0 H GLN A 41 -7.617 11.502 -8.232 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.639 9.502 -8.623 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.573 12.456 -7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.109 11.514 -8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.531 11.130 -10.428 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.222 11.568 -10.287 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.961 12.585 -12.019 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.963 14.334 -11.774 1.00 0.00 H new ATOM 655 N LEU A 42 -4.653 8.933 -6.424 1.00 0.00 N ATOM 656 CA LEU A 42 -4.172 8.485 -5.121 1.00 0.00 C ATOM 657 C LEU A 42 -2.763 9.004 -4.853 1.00 0.00 C ATOM 658 O LEU A 42 -1.948 9.115 -5.767 1.00 0.00 O ATOM 659 CB LEU A 42 -4.189 6.957 -5.047 1.00 0.00 C ATOM 660 CG LEU A 42 -5.536 6.287 -5.319 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.360 4.785 -5.487 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.518 6.588 -4.196 1.00 0.00 C ATOM 0 H LEU A 42 -4.308 8.385 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.838 8.886 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.463 6.570 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.851 6.657 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.941 6.691 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.329 4.324 -5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.692 4.589 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.933 4.365 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.471 6.103 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.120 6.212 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.667 7.665 -4.122 1.00 0.00 H new ATOM 674 N ASN A 43 -2.484 9.318 -3.592 1.00 0.00 N ATOM 675 CA ASN A 43 -1.173 9.823 -3.202 1.00 0.00 C ATOM 676 C ASN A 43 -0.807 9.358 -1.796 1.00 0.00 C ATOM 677 O ASN A 43 -1.357 9.845 -0.807 1.00 0.00 O ATOM 678 CB ASN A 43 -1.152 11.351 -3.268 1.00 0.00 C ATOM 679 CG ASN A 43 0.192 11.929 -2.868 1.00 0.00 C ATOM 680 OD1 ASN A 43 0.649 11.742 -1.740 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.832 12.635 -3.793 1.00 0.00 N ATOM 0 H ASN A 43 -3.148 9.232 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.436 9.426 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.395 11.671 -4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.926 11.751 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.740 13.048 -3.582 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.415 12.764 -4.715 1.00 0.00 H new ATOM 688 N LEU A 44 0.125 8.415 -1.714 1.00 0.00 N ATOM 689 CA LEU A 44 0.566 7.885 -0.429 1.00 0.00 C ATOM 690 C LEU A 44 2.086 7.945 -0.307 1.00 0.00 C ATOM 691 O LEU A 44 2.799 7.136 -0.901 1.00 0.00 O ATOM 692 CB LEU A 44 0.087 6.442 -0.259 1.00 0.00 C ATOM 693 CG LEU A 44 -1.418 6.214 -0.404 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.751 4.738 -0.250 1.00 0.00 C ATOM 695 CD2 LEU A 44 -2.184 7.044 0.616 1.00 0.00 C ATOM 0 H LEU A 44 0.590 8.002 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 44 0.132 8.501 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.601 5.821 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.394 6.092 0.726 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.720 6.532 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.826 4.595 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.231 4.166 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.435 4.394 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.253 6.869 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.878 6.757 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.970 8.101 0.459 1.00 0.00 H new ATOM 707 N VAL A 45 2.574 8.908 0.468 1.00 0.00 N ATOM 708 CA VAL A 45 4.009 9.072 0.670 1.00 0.00 C ATOM 709 C VAL A 45 4.466 8.378 1.948 1.00 0.00 C ATOM 710 O VAL A 45 4.352 8.929 3.043 1.00 0.00 O ATOM 711 CB VAL A 45 4.399 10.561 0.740 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.885 10.710 1.027 1.00 0.00 C ATOM 713 CG2 VAL A 45 4.023 11.271 -0.551 1.00 0.00 C ATOM 0 H VAL A 45 1.997 9.586 0.966 1.00 0.00 H new ATOM 0 HA VAL A 45 4.504 8.614 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 45 3.847 11.026 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.142 11.768 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.121 10.238 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.459 10.231 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.306 12.322 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.546 10.807 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.947 11.194 -0.709 1.00 0.00 H new ATOM 723 N VAL A 46 4.986 7.163 1.801 1.00 0.00 N ATOM 724 CA VAL A 46 5.463 6.393 2.944 1.00 0.00 C ATOM 725 C VAL A 46 6.981 6.466 3.061 1.00 0.00 C ATOM 726 O VAL A 46 7.718 5.797 2.336 1.00 0.00 O ATOM 727 CB VAL A 46 5.038 4.916 2.841 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.276 4.199 4.162 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.580 4.809 2.422 1.00 0.00 C ATOM 0 H VAL A 46 5.088 6.691 0.902 1.00 0.00 H new ATOM 0 HA VAL A 46 5.012 6.833 3.833 1.00 0.00 H new ATOM 0 HB VAL A 46 5.648 4.433 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.970 3.157 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.335 4.245 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.694 4.681 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.297 3.759 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.952 5.307 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.445 5.285 1.451 1.00 0.00 H new ATOM 739 N PRO A 47 7.463 7.299 3.996 1.00 0.00 N ATOM 740 CA PRO A 47 8.899 7.479 4.231 1.00 0.00 C ATOM 741 C PRO A 47 9.543 6.247 4.856 1.00 0.00 C ATOM 742 O PRO A 47 8.921 5.547 5.657 1.00 0.00 O ATOM 743 CB PRO A 47 8.953 8.662 5.202 1.00 0.00 C ATOM 744 CG PRO A 47 7.638 8.639 5.901 1.00 0.00 C ATOM 745 CD PRO A 47 6.643 8.127 4.895 1.00 0.00 C ATOM 0 HA PRO A 47 9.447 7.645 3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.778 8.558 5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.103 9.603 4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.674 7.993 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.364 9.635 6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.854 7.544 5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.157 8.943 4.359 1.00 0.00 H new ATOM 753 N PHE A 48 10.793 5.986 4.487 1.00 0.00 N ATOM 754 CA PHE A 48 11.521 4.837 5.012 1.00 0.00 C ATOM 755 C PHE A 48 12.975 5.201 5.301 1.00 0.00 C ATOM 756 O PHE A 48 13.598 5.950 4.550 1.00 0.00 O ATOM 757 CB PHE A 48 11.463 3.673 4.020 1.00 0.00 C ATOM 758 CG PHE A 48 12.123 3.972 2.705 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.503 3.947 2.586 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.364 4.278 1.587 1.00 0.00 C ATOM 761 CE1 PHE A 48 14.113 4.223 1.377 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.968 4.554 0.375 1.00 0.00 C ATOM 763 CZ PHE A 48 13.345 4.526 0.270 1.00 0.00 C ATOM 0 H PHE A 48 11.323 6.555 3.826 1.00 0.00 H new ATOM 0 HA PHE A 48 11.047 4.534 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.941 2.801 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.420 3.409 3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.109 3.709 3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.287 4.301 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 48 15.190 4.202 1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.364 4.791 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.820 4.741 -0.676 1.00 0.00 H new ATOM 773 N GLN A 49 13.506 4.664 6.395 1.00 0.00 N ATOM 774 CA GLN A 49 14.885 4.933 6.785 1.00 0.00 C ATOM 775 C GLN A 49 15.793 3.766 6.412 1.00 0.00 C ATOM 776 O GLN A 49 15.321 2.699 6.021 1.00 0.00 O ATOM 777 CB GLN A 49 14.969 5.201 8.288 1.00 0.00 C ATOM 778 CG GLN A 49 13.948 6.211 8.785 1.00 0.00 C ATOM 779 CD GLN A 49 14.403 6.934 10.037 1.00 0.00 C ATOM 780 OE1 GLN A 49 15.333 7.740 9.999 1.00 0.00 O ATOM 781 NE2 GLN A 49 13.748 6.649 11.156 1.00 0.00 N ATOM 0 H GLN A 49 13.003 4.041 7.026 1.00 0.00 H new ATOM 0 HA GLN A 49 15.223 5.819 6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.829 4.262 8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.970 5.560 8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.753 6.941 7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.006 5.700 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.983 5.974 11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.010 7.105 12.030 1.00 0.00 H new ATOM 790 N GLY A 50 17.100 3.977 6.536 1.00 0.00 N ATOM 791 CA GLY A 50 18.054 2.933 6.208 1.00 0.00 C ATOM 792 C GLY A 50 19.161 3.425 5.297 1.00 0.00 C ATOM 793 O GLY A 50 19.034 4.473 4.662 1.00 0.00 O ATOM 0 H GLY A 50 17.515 4.852 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.491 2.542 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.532 2.106 5.727 1.00 0.00 H new ATOM 797 N LYS A 51 20.252 2.670 5.233 1.00 0.00 N ATOM 798 CA LYS A 51 21.388 3.034 4.394 1.00 0.00 C ATOM 799 C LYS A 51 22.235 1.809 4.063 1.00 0.00 C ATOM 800 O LYS A 51 22.212 0.800 4.768 1.00 0.00 O ATOM 801 CB LYS A 51 22.248 4.088 5.094 1.00 0.00 C ATOM 802 CG LYS A 51 21.711 5.502 4.953 1.00 0.00 C ATOM 803 CD LYS A 51 22.717 6.531 5.442 1.00 0.00 C ATOM 804 CE LYS A 51 22.025 7.768 5.996 1.00 0.00 C ATOM 805 NZ LYS A 51 22.991 8.865 6.277 1.00 0.00 N ATOM 0 H LYS A 51 20.374 1.801 5.753 1.00 0.00 H new ATOM 0 HA LYS A 51 21.002 3.449 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.322 3.840 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.258 4.050 4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.467 5.697 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.785 5.599 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 51 23.346 6.088 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.374 6.817 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.278 8.116 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.495 7.508 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.480 9.689 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.689 8.542 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.479 9.131 5.398 1.00 0.00 H new ATOM 819 N PRO A 52 23.002 1.898 2.966 1.00 0.00 N ATOM 820 CA PRO A 52 23.037 3.094 2.119 1.00 0.00 C ATOM 821 C PRO A 52 21.738 3.295 1.346 1.00 0.00 C ATOM 822 O PRO A 52 21.151 4.377 1.371 1.00 0.00 O ATOM 823 CB PRO A 52 24.194 2.813 1.157 1.00 0.00 C ATOM 824 CG PRO A 52 24.290 1.328 1.103 1.00 0.00 C ATOM 825 CD PRO A 52 23.894 0.837 2.468 1.00 0.00 C ATOM 0 HA PRO A 52 23.163 4.005 2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 52 23.999 3.233 0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.123 3.257 1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.631 0.922 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.303 1.011 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.385 -0.125 2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.761 0.705 3.115 1.00 0.00 H new ATOM 833 N ARG A 53 21.294 2.246 0.661 1.00 0.00 N ATOM 834 CA ARG A 53 20.065 2.309 -0.120 1.00 0.00 C ATOM 835 C ARG A 53 19.208 1.068 0.114 1.00 0.00 C ATOM 836 O ARG A 53 19.383 0.032 -0.528 1.00 0.00 O ATOM 837 CB ARG A 53 20.388 2.444 -1.609 1.00 0.00 C ATOM 838 CG ARG A 53 19.235 2.992 -2.435 1.00 0.00 C ATOM 839 CD ARG A 53 18.326 1.878 -2.931 1.00 0.00 C ATOM 840 NE ARG A 53 18.839 1.255 -4.149 1.00 0.00 N ATOM 841 CZ ARG A 53 18.715 1.791 -5.357 1.00 0.00 C ATOM 842 NH1 ARG A 53 18.099 2.955 -5.509 1.00 0.00 N ATOM 843 NH2 ARG A 53 19.208 1.164 -6.417 1.00 0.00 N ATOM 0 H ARG A 53 21.767 1.343 0.631 1.00 0.00 H new ATOM 0 HA ARG A 53 19.503 3.185 0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.252 3.098 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.672 1.467 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.657 3.694 -1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.628 3.549 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.222 1.122 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.331 2.280 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 53 19.319 0.359 -4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.719 3.441 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.005 3.365 -6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.683 0.269 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.112 1.577 -7.345 1.00 0.00 H new ATOM 857 N PRO A 54 18.260 1.173 1.057 1.00 0.00 N ATOM 858 CA PRO A 54 17.357 0.069 1.398 1.00 0.00 C ATOM 859 C PRO A 54 16.357 -0.227 0.286 1.00 0.00 C ATOM 860 O PRO A 54 15.657 0.669 -0.185 1.00 0.00 O ATOM 861 CB PRO A 54 16.633 0.577 2.648 1.00 0.00 C ATOM 862 CG PRO A 54 16.692 2.062 2.543 1.00 0.00 C ATOM 863 CD PRO A 54 17.995 2.378 1.862 1.00 0.00 C ATOM 0 HA PRO A 54 17.896 -0.866 1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.603 0.223 2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.119 0.225 3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.849 2.446 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.645 2.525 3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.917 3.269 1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.791 2.563 2.583 1.00 0.00 H new ATOM 871 N GLN A 55 16.296 -1.488 -0.128 1.00 0.00 N ATOM 872 CA GLN A 55 15.380 -1.901 -1.185 1.00 0.00 C ATOM 873 C GLN A 55 13.934 -1.853 -0.703 1.00 0.00 C ATOM 874 O GLN A 55 13.626 -2.280 0.410 1.00 0.00 O ATOM 875 CB GLN A 55 15.724 -3.313 -1.664 1.00 0.00 C ATOM 876 CG GLN A 55 15.201 -3.627 -3.056 1.00 0.00 C ATOM 877 CD GLN A 55 15.945 -4.773 -3.714 1.00 0.00 C ATOM 878 OE1 GLN A 55 17.161 -4.903 -3.570 1.00 0.00 O ATOM 879 NE2 GLN A 55 15.216 -5.611 -4.441 1.00 0.00 N ATOM 0 H GLN A 55 16.869 -2.241 0.252 1.00 0.00 H new ATOM 0 HA GLN A 55 15.489 -1.206 -2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.807 -3.437 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.315 -4.037 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.141 -3.874 -2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.285 -2.738 -3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.211 -5.465 -4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.661 -6.401 -4.908 1.00 0.00 H new ATOM 888 N VAL A 56 13.051 -1.331 -1.548 1.00 0.00 N ATOM 889 CA VAL A 56 11.637 -1.227 -1.208 1.00 0.00 C ATOM 890 C VAL A 56 10.797 -2.174 -2.058 1.00 0.00 C ATOM 891 O VAL A 56 11.034 -2.325 -3.256 1.00 0.00 O ATOM 892 CB VAL A 56 11.118 0.211 -1.396 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.643 0.297 -1.036 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.937 1.185 -0.563 1.00 0.00 C ATOM 0 H VAL A 56 13.290 -0.974 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 56 11.543 -1.504 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 56 11.227 0.485 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.294 1.320 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.072 -0.372 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.505 0.005 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.557 2.196 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.861 0.916 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.981 1.142 -0.874 1.00 0.00 H new ATOM 904 N VAL A 57 9.814 -2.810 -1.429 1.00 0.00 N ATOM 905 CA VAL A 57 8.937 -3.742 -2.128 1.00 0.00 C ATOM 906 C VAL A 57 7.470 -3.410 -1.876 1.00 0.00 C ATOM 907 O VAL A 57 7.066 -3.161 -0.741 1.00 0.00 O ATOM 908 CB VAL A 57 9.204 -5.196 -1.695 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.353 -6.160 -2.508 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.682 -5.530 -1.833 1.00 0.00 C ATOM 0 H VAL A 57 9.605 -2.697 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 57 9.152 -3.642 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 57 8.928 -5.301 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.555 -7.182 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.298 -5.933 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.595 -6.056 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.853 -6.561 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.987 -5.409 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.267 -4.860 -1.203 1.00 0.00 H new ATOM 920 N TRP A 58 6.679 -3.409 -2.943 1.00 0.00 N ATOM 921 CA TRP A 58 5.255 -3.108 -2.837 1.00 0.00 C ATOM 922 C TRP A 58 4.412 -4.304 -3.265 1.00 0.00 C ATOM 923 O TRP A 58 4.656 -4.907 -4.312 1.00 0.00 O ATOM 924 CB TRP A 58 4.906 -1.890 -3.694 1.00 0.00 C ATOM 925 CG TRP A 58 5.138 -0.585 -2.994 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.210 0.247 -3.146 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.279 0.035 -2.031 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.069 1.348 -2.336 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.892 1.242 -1.642 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.050 -0.310 -1.462 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.318 2.101 -0.709 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.482 0.543 -0.536 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.115 1.738 -0.167 1.00 0.00 C ATOM 0 H TRP A 58 6.998 -3.613 -3.890 1.00 0.00 H new ATOM 0 HA TRP A 58 5.033 -2.886 -1.793 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.500 -1.915 -4.607 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.860 -1.953 -3.993 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.046 0.066 -3.806 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.733 2.119 -2.263 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.553 -1.227 -1.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.805 3.022 -0.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.534 0.285 -0.088 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.644 2.385 0.559 1.00 0.00 H new ATOM 944 N THR A 59 3.419 -4.645 -2.450 1.00 0.00 N ATOM 945 CA THR A 59 2.541 -5.771 -2.744 1.00 0.00 C ATOM 946 C THR A 59 1.094 -5.445 -2.393 1.00 0.00 C ATOM 947 O THR A 59 0.826 -4.662 -1.481 1.00 0.00 O ATOM 948 CB THR A 59 2.972 -7.035 -1.977 1.00 0.00 C ATOM 949 OG1 THR A 59 3.095 -6.742 -0.580 1.00 0.00 O ATOM 950 CG2 THR A 59 4.295 -7.566 -2.508 1.00 0.00 C ATOM 0 H THR A 59 3.203 -4.157 -1.581 1.00 0.00 H new ATOM 0 HA THR A 59 2.618 -5.962 -3.814 1.00 0.00 H new ATOM 0 HB THR A 59 2.208 -7.799 -2.122 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.284 -5.788 -0.461 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.579 -8.459 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.189 -7.816 -3.564 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.066 -6.805 -2.390 1.00 0.00 H new ATOM 958 N LYS A 60 0.162 -6.051 -3.121 1.00 0.00 N ATOM 959 CA LYS A 60 -1.259 -5.828 -2.886 1.00 0.00 C ATOM 960 C LYS A 60 -1.933 -7.098 -2.377 1.00 0.00 C ATOM 961 O LYS A 60 -2.421 -7.910 -3.162 1.00 0.00 O ATOM 962 CB LYS A 60 -1.942 -5.355 -4.172 1.00 0.00 C ATOM 963 CG LYS A 60 -3.447 -5.203 -4.040 1.00 0.00 C ATOM 964 CD LYS A 60 -3.814 -4.187 -2.972 1.00 0.00 C ATOM 965 CE LYS A 60 -5.322 -4.054 -2.823 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.961 -5.351 -2.467 1.00 0.00 N ATOM 0 H LYS A 60 0.366 -6.701 -3.880 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.358 -5.055 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.513 -4.398 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.725 -6.064 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.868 -4.894 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.891 -6.168 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.378 -4.486 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.386 -3.218 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.547 -3.315 -2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.748 -3.683 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.981 -5.208 -2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.811 -6.035 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.538 -5.718 -1.591 1.00 0.00 H new ATOM 980 N GLY A 61 -1.956 -7.263 -1.058 1.00 0.00 N ATOM 981 CA GLY A 61 -2.574 -8.436 -0.468 1.00 0.00 C ATOM 982 C GLY A 61 -1.783 -9.703 -0.733 1.00 0.00 C ATOM 983 O GLY A 61 -2.358 -10.761 -0.981 1.00 0.00 O ATOM 0 H GLY A 61 -1.558 -6.605 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.671 -8.290 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.582 -8.551 -0.866 1.00 0.00 H new ATOM 987 N GLY A 62 -0.459 -9.593 -0.682 1.00 0.00 N ATOM 988 CA GLY A 62 0.390 -10.746 -0.922 1.00 0.00 C ATOM 989 C GLY A 62 0.536 -11.060 -2.398 1.00 0.00 C ATOM 990 O GLY A 62 0.349 -12.202 -2.817 1.00 0.00 O ATOM 0 H GLY A 62 0.041 -8.727 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.375 -10.564 -0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.026 -11.613 -0.408 1.00 0.00 H new ATOM 994 N ALA A 63 0.870 -10.045 -3.188 1.00 0.00 N ATOM 995 CA ALA A 63 1.041 -10.220 -4.625 1.00 0.00 C ATOM 996 C ALA A 63 1.620 -8.963 -5.265 1.00 0.00 C ATOM 997 O ALA A 63 1.494 -7.856 -4.742 1.00 0.00 O ATOM 998 CB ALA A 63 -0.286 -10.581 -5.274 1.00 0.00 C ATOM 0 H ALA A 63 1.028 -9.093 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 63 1.745 -11.036 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.143 -10.709 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.660 -11.510 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.007 -9.783 -5.096 1.00 0.00 H new ATOM 1004 N PRO A 64 2.272 -9.135 -6.425 1.00 0.00 N ATOM 1005 CA PRO A 64 2.884 -8.025 -7.162 1.00 0.00 C ATOM 1006 C PRO A 64 1.844 -7.091 -7.771 1.00 0.00 C ATOM 1007 O PRO A 64 0.692 -7.475 -7.973 1.00 0.00 O ATOM 1008 CB PRO A 64 3.683 -8.728 -8.262 1.00 0.00 C ATOM 1009 CG PRO A 64 2.992 -10.033 -8.457 1.00 0.00 C ATOM 1010 CD PRO A 64 2.461 -10.426 -7.107 1.00 0.00 C ATOM 0 HA PRO A 64 3.491 -7.391 -6.516 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.690 -8.143 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.722 -8.871 -7.967 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.184 -9.942 -9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.681 -10.786 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.525 -10.978 -7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.162 -11.065 -6.570 1.00 0.00 H new ATOM 1018 N LEU A 65 2.258 -5.863 -8.063 1.00 0.00 N ATOM 1019 CA LEU A 65 1.362 -4.873 -8.651 1.00 0.00 C ATOM 1020 C LEU A 65 1.514 -4.834 -10.168 1.00 0.00 C ATOM 1021 O LEU A 65 2.351 -5.535 -10.736 1.00 0.00 O ATOM 1022 CB LEU A 65 1.643 -3.489 -8.063 1.00 0.00 C ATOM 1023 CG LEU A 65 1.692 -3.405 -6.537 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.324 -2.094 -6.094 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.295 -3.550 -5.951 1.00 0.00 C ATOM 0 H LEU A 65 3.208 -5.529 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 65 0.338 -5.160 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.596 -3.136 -8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.876 -2.802 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 65 2.308 -4.225 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.350 -2.052 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.340 -2.030 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.735 -1.259 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.348 -3.488 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.343 -2.751 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.122 -4.515 -6.239 1.00 0.00 H new ATOM 1037 N ASP A 66 0.700 -4.009 -10.818 1.00 0.00 N ATOM 1038 CA ASP A 66 0.746 -3.876 -12.269 1.00 0.00 C ATOM 1039 C ASP A 66 1.210 -2.480 -12.673 1.00 0.00 C ATOM 1040 O ASP A 66 0.404 -1.633 -13.058 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.630 -4.164 -12.873 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.066 -5.600 -12.662 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -0.624 -6.214 -11.669 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -1.850 -6.110 -13.490 1.00 0.00 O ATOM 0 H ASP A 66 0.001 -3.423 -10.363 1.00 0.00 H new ATOM 0 HA ASP A 66 1.462 -4.602 -12.653 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.366 -3.495 -12.428 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.607 -3.948 -13.941 1.00 0.00 H new ATOM 1049 N THR A 67 2.516 -2.247 -12.580 1.00 0.00 N ATOM 1050 CA THR A 67 3.088 -0.954 -12.933 1.00 0.00 C ATOM 1051 C THR A 67 2.377 -0.349 -14.138 1.00 0.00 C ATOM 1052 O THR A 67 2.167 0.863 -14.203 1.00 0.00 O ATOM 1053 CB THR A 67 4.592 -1.071 -13.244 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.793 -1.914 -14.384 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.349 -1.634 -12.051 1.00 0.00 C ATOM 0 H THR A 67 3.197 -2.937 -12.263 1.00 0.00 H new ATOM 0 HA THR A 67 2.953 -0.302 -12.070 1.00 0.00 H new ATOM 0 HB THR A 67 4.974 -0.073 -13.459 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.752 -1.982 -14.576 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.409 -1.707 -12.294 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.219 -0.974 -11.193 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.963 -2.624 -11.809 1.00 0.00 H new ATOM 1063 N SER A 68 2.009 -1.199 -15.091 1.00 0.00 N ATOM 1064 CA SER A 68 1.323 -0.747 -16.296 1.00 0.00 C ATOM 1065 C SER A 68 0.233 0.264 -15.954 1.00 0.00 C ATOM 1066 O SER A 68 0.127 1.316 -16.585 1.00 0.00 O ATOM 1067 CB SER A 68 0.715 -1.938 -17.039 1.00 0.00 C ATOM 1068 OG SER A 68 0.653 -1.690 -18.433 1.00 0.00 O ATOM 0 H SER A 68 2.174 -2.205 -15.052 1.00 0.00 H new ATOM 0 HA SER A 68 2.055 -0.261 -16.941 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.311 -2.831 -16.851 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.286 -2.137 -16.657 1.00 0.00 H new ATOM 0 HG SER A 68 0.262 -2.466 -18.886 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.574 -0.062 -14.950 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.657 0.816 -14.524 1.00 0.00 C ATOM 1076 C ARG A 69 -1.245 1.636 -13.306 1.00 0.00 C ATOM 1077 O ARG A 69 -1.567 2.820 -13.204 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.909 -0.003 -14.201 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.356 -0.907 -15.338 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.860 -1.130 -15.313 1.00 0.00 C ATOM 1081 NE ARG A 69 -5.600 0.095 -15.603 1.00 0.00 N ATOM 1082 CZ ARG A 69 -6.860 0.110 -16.025 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -7.516 -1.028 -16.204 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -7.466 1.265 -16.267 1.00 0.00 N ATOM 0 H ARG A 69 -0.498 -0.928 -14.416 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.880 1.500 -15.343 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.716 -0.612 -13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.722 0.677 -13.948 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.068 -0.464 -16.291 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.843 -1.866 -15.265 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.125 -1.895 -16.043 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.154 -1.508 -14.334 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.124 0.988 -15.475 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.054 -1.918 -16.018 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.483 -1.014 -16.528 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.965 2.143 -16.129 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.433 1.275 -16.591 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.531 0.999 -12.384 1.00 0.00 N ATOM 1099 CA VAL A 70 -0.073 1.670 -11.173 1.00 0.00 C ATOM 1100 C VAL A 70 1.267 2.359 -11.399 1.00 0.00 C ATOM 1101 O VAL A 70 2.196 1.769 -11.952 1.00 0.00 O ATOM 1102 CB VAL A 70 0.063 0.680 -10.000 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.577 1.391 -8.758 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.269 -0.001 -9.722 1.00 0.00 C ATOM 0 H VAL A 70 -0.257 0.019 -12.452 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.825 2.418 -10.923 1.00 0.00 H new ATOM 0 HB VAL A 70 0.787 -0.087 -10.276 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.667 0.676 -7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.554 1.828 -8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.120 2.180 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.155 -0.697 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.016 0.751 -9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.592 -0.545 -10.610 1.00 0.00 H new ATOM 1114 N HIS A 71 1.362 3.613 -10.968 1.00 0.00 N ATOM 1115 CA HIS A 71 2.591 4.384 -11.122 1.00 0.00 C ATOM 1116 C HIS A 71 3.183 4.741 -9.763 1.00 0.00 C ATOM 1117 O HIS A 71 2.906 5.809 -9.215 1.00 0.00 O ATOM 1118 CB HIS A 71 2.321 5.657 -11.925 1.00 0.00 C ATOM 1119 CG HIS A 71 1.618 5.409 -13.224 1.00 0.00 C ATOM 1120 ND1 HIS A 71 2.220 5.584 -14.452 1.00 0.00 N ATOM 1121 CD2 HIS A 71 0.355 4.995 -13.481 1.00 0.00 C ATOM 1122 CE1 HIS A 71 1.358 5.290 -15.408 1.00 0.00 C ATOM 1123 NE2 HIS A 71 0.218 4.930 -14.846 1.00 0.00 N ATOM 0 H HIS A 71 0.603 4.117 -10.509 1.00 0.00 H new ATOM 0 HA HIS A 71 3.312 3.769 -11.661 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.721 6.337 -11.321 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.268 6.159 -12.124 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.403 4.760 -12.749 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.552 5.336 -16.469 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.626 4.649 -15.345 1.00 0.00 H new ATOM 1132 N VAL A 72 3.998 3.841 -9.222 1.00 0.00 N ATOM 1133 CA VAL A 72 4.630 4.062 -7.927 1.00 0.00 C ATOM 1134 C VAL A 72 6.102 4.423 -8.087 1.00 0.00 C ATOM 1135 O VAL A 72 6.858 3.712 -8.749 1.00 0.00 O ATOM 1136 CB VAL A 72 4.513 2.817 -7.027 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.158 1.613 -7.694 1.00 0.00 C ATOM 1138 CG2 VAL A 72 5.141 3.083 -5.667 1.00 0.00 C ATOM 0 H VAL A 72 4.236 2.952 -9.661 1.00 0.00 H new ATOM 0 HA VAL A 72 4.105 4.893 -7.456 1.00 0.00 H new ATOM 0 HB VAL A 72 3.456 2.596 -6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.065 0.744 -7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.659 1.412 -8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.213 1.819 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.050 2.193 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.195 3.330 -5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.629 3.917 -5.187 1.00 0.00 H new ATOM 1148 N ARG A 73 6.503 5.533 -7.477 1.00 0.00 N ATOM 1149 CA ARG A 73 7.885 5.990 -7.552 1.00 0.00 C ATOM 1150 C ARG A 73 8.646 5.635 -6.278 1.00 0.00 C ATOM 1151 O ARG A 73 8.052 5.479 -5.210 1.00 0.00 O ATOM 1152 CB ARG A 73 7.934 7.502 -7.783 1.00 0.00 C ATOM 1153 CG ARG A 73 7.828 7.898 -9.247 1.00 0.00 C ATOM 1154 CD ARG A 73 8.906 7.228 -10.085 1.00 0.00 C ATOM 1155 NE ARG A 73 9.215 7.991 -11.291 1.00 0.00 N ATOM 1156 CZ ARG A 73 10.015 7.550 -12.255 1.00 0.00 C ATOM 1157 NH1 ARG A 73 10.583 6.357 -12.155 1.00 0.00 N ATOM 1158 NH2 ARG A 73 10.247 8.303 -13.323 1.00 0.00 N ATOM 0 H ARG A 73 5.890 6.133 -6.925 1.00 0.00 H new ATOM 0 HA ARG A 73 8.362 5.485 -8.392 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.122 7.972 -7.228 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.866 7.893 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.845 7.623 -9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.914 8.981 -9.339 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.810 7.113 -9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.578 6.226 -10.364 1.00 0.00 H new ATOM 0 HE ARG A 73 8.793 8.913 -11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.406 5.775 -11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.197 6.021 -12.897 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.811 9.221 -13.404 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.862 7.963 -14.063 1.00 0.00 H new ATOM 1172 N THR A 74 9.964 5.508 -6.397 1.00 0.00 N ATOM 1173 CA THR A 74 10.805 5.170 -5.256 1.00 0.00 C ATOM 1174 C THR A 74 12.026 6.081 -5.184 1.00 0.00 C ATOM 1175 O THR A 74 12.824 6.139 -6.119 1.00 0.00 O ATOM 1176 CB THR A 74 11.275 3.705 -5.319 1.00 0.00 C ATOM 1177 OG1 THR A 74 10.144 2.830 -5.386 1.00 0.00 O ATOM 1178 CG2 THR A 74 12.122 3.355 -4.105 1.00 0.00 C ATOM 0 H THR A 74 10.472 5.634 -7.273 1.00 0.00 H new ATOM 0 HA THR A 74 10.197 5.310 -4.362 1.00 0.00 H new ATOM 0 HB THR A 74 11.884 3.581 -6.215 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.452 1.900 -5.427 1.00 0.00 H new ATOM 0 HG21 THR A 74 12.442 2.315 -4.172 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.998 4.003 -4.073 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.534 3.496 -3.198 1.00 0.00 H new ATOM 1186 N SER A 75 12.164 6.789 -4.068 1.00 0.00 N ATOM 1187 CA SER A 75 13.287 7.700 -3.875 1.00 0.00 C ATOM 1188 C SER A 75 14.111 7.296 -2.657 1.00 0.00 C ATOM 1189 O SER A 75 13.564 6.986 -1.598 1.00 0.00 O ATOM 1190 CB SER A 75 12.784 9.136 -3.712 1.00 0.00 C ATOM 1191 OG SER A 75 13.750 10.069 -4.163 1.00 0.00 O ATOM 0 H SER A 75 11.513 6.750 -3.284 1.00 0.00 H new ATOM 0 HA SER A 75 13.924 7.644 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.858 9.266 -4.273 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.551 9.326 -2.664 1.00 0.00 H new ATOM 0 HG SER A 75 13.404 10.979 -4.050 1.00 0.00 H new ATOM 1197 N ASP A 76 15.430 7.302 -2.814 1.00 0.00 N ATOM 1198 CA ASP A 76 16.332 6.938 -1.728 1.00 0.00 C ATOM 1199 C ASP A 76 15.821 7.475 -0.394 1.00 0.00 C ATOM 1200 O ASP A 76 15.897 6.797 0.630 1.00 0.00 O ATOM 1201 CB ASP A 76 17.738 7.473 -2.002 1.00 0.00 C ATOM 1202 CG ASP A 76 18.561 6.527 -2.854 1.00 0.00 C ATOM 1203 OD1 ASP A 76 18.148 6.247 -3.998 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.619 6.065 -2.376 1.00 0.00 O ATOM 0 H ASP A 76 15.899 7.555 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 76 16.371 5.850 -1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.665 8.438 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.250 7.643 -1.055 1.00 0.00 H new ATOM 1209 N PHE A 77 15.300 8.697 -0.415 1.00 0.00 N ATOM 1210 CA PHE A 77 14.779 9.327 0.792 1.00 0.00 C ATOM 1211 C PHE A 77 13.481 8.658 1.237 1.00 0.00 C ATOM 1212 O PHE A 77 13.389 8.136 2.348 1.00 0.00 O ATOM 1213 CB PHE A 77 14.540 10.819 0.553 1.00 0.00 C ATOM 1214 CG PHE A 77 15.796 11.642 0.601 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.296 12.098 1.810 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.476 11.960 -0.563 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.451 12.855 1.858 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.632 12.716 -0.522 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.120 13.165 0.690 1.00 0.00 C ATOM 0 H PHE A 77 15.227 9.271 -1.255 1.00 0.00 H new ATOM 0 HA PHE A 77 15.520 9.207 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.065 10.952 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.842 11.192 1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.777 11.859 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.098 11.613 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.830 13.204 2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.154 12.956 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.023 13.757 0.724 1.00 0.00 H new ATOM 1229 N ASP A 78 12.482 8.679 0.362 1.00 0.00 N ATOM 1230 CA ASP A 78 11.189 8.074 0.663 1.00 0.00 C ATOM 1231 C ASP A 78 10.502 7.597 -0.612 1.00 0.00 C ATOM 1232 O ASP A 78 10.853 8.019 -1.715 1.00 0.00 O ATOM 1233 CB ASP A 78 10.294 9.074 1.396 1.00 0.00 C ATOM 1234 CG ASP A 78 10.226 10.415 0.693 1.00 0.00 C ATOM 1235 OD1 ASP A 78 11.243 11.140 0.700 1.00 0.00 O ATOM 1236 OD2 ASP A 78 9.156 10.741 0.137 1.00 0.00 O ATOM 0 H ASP A 78 12.542 9.108 -0.561 1.00 0.00 H new ATOM 0 HA ASP A 78 11.360 7.211 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.289 8.661 1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.669 9.217 2.410 1.00 0.00 H new ATOM 1241 N THR A 79 9.522 6.713 -0.455 1.00 0.00 N ATOM 1242 CA THR A 79 8.787 6.176 -1.594 1.00 0.00 C ATOM 1243 C THR A 79 7.448 6.883 -1.766 1.00 0.00 C ATOM 1244 O THR A 79 6.884 7.410 -0.807 1.00 0.00 O ATOM 1245 CB THR A 79 8.540 4.663 -1.440 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.915 4.147 -2.620 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.664 4.378 -0.230 1.00 0.00 C ATOM 0 H THR A 79 9.219 6.353 0.450 1.00 0.00 H new ATOM 0 HA THR A 79 9.402 6.348 -2.477 1.00 0.00 H new ATOM 0 HB THR A 79 9.503 4.173 -1.295 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.178 4.689 -3.393 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.504 3.303 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.156 4.746 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.704 4.880 -0.350 1.00 0.00 H new ATOM 1255 N VAL A 80 6.942 6.891 -2.996 1.00 0.00 N ATOM 1256 CA VAL A 80 5.667 7.532 -3.294 1.00 0.00 C ATOM 1257 C VAL A 80 4.780 6.625 -4.140 1.00 0.00 C ATOM 1258 O VAL A 80 5.237 6.025 -5.114 1.00 0.00 O ATOM 1259 CB VAL A 80 5.870 8.868 -4.033 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.528 9.498 -4.374 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.716 9.815 -3.197 1.00 0.00 C ATOM 0 H VAL A 80 7.396 6.461 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 80 5.178 7.724 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 80 6.400 8.672 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.691 10.441 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.961 8.822 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.969 9.683 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.850 10.754 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.216 10.008 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.690 9.363 -3.009 1.00 0.00 H new ATOM 1271 N PHE A 81 3.510 6.529 -3.763 1.00 0.00 N ATOM 1272 CA PHE A 81 2.558 5.695 -4.487 1.00 0.00 C ATOM 1273 C PHE A 81 1.442 6.542 -5.091 1.00 0.00 C ATOM 1274 O PHE A 81 0.821 7.353 -4.404 1.00 0.00 O ATOM 1275 CB PHE A 81 1.963 4.637 -3.555 1.00 0.00 C ATOM 1276 CG PHE A 81 0.613 4.144 -3.992 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.534 4.855 -3.678 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.491 2.970 -4.718 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.777 4.403 -4.078 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.749 2.514 -5.122 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.885 3.232 -4.802 1.00 0.00 C ATOM 0 H PHE A 81 3.116 7.019 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 81 3.091 5.198 -5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.648 3.791 -3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.881 5.053 -2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.456 5.773 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.376 2.405 -4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.664 4.965 -3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.830 1.597 -5.687 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.855 2.878 -5.117 1.00 0.00 H new ATOM 1291 N PHE A 82 1.193 6.348 -6.382 1.00 0.00 N ATOM 1292 CA PHE A 82 0.153 7.095 -7.081 1.00 0.00 C ATOM 1293 C PHE A 82 -0.553 6.213 -8.107 1.00 0.00 C ATOM 1294 O PHE A 82 0.018 5.244 -8.607 1.00 0.00 O ATOM 1295 CB PHE A 82 0.753 8.321 -7.771 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.114 8.877 -8.865 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.315 8.165 -10.036 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.727 10.111 -8.721 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.112 8.675 -11.045 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.525 10.626 -9.726 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.718 9.906 -10.889 1.00 0.00 C ATOM 0 H PHE A 82 1.697 5.680 -6.965 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.581 7.424 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.928 9.098 -7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.724 8.055 -8.188 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.156 7.201 -10.163 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.580 10.677 -7.813 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.260 8.111 -11.954 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.997 11.590 -9.602 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.342 10.305 -11.675 1.00 0.00 H new ATOM 1311 N VAL A 83 -1.799 6.557 -8.416 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.584 5.799 -9.383 1.00 0.00 C ATOM 1313 C VAL A 83 -3.433 6.724 -10.248 1.00 0.00 C ATOM 1314 O VAL A 83 -4.073 7.647 -9.744 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.503 4.780 -8.684 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.420 4.107 -9.694 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.678 3.748 -7.931 1.00 0.00 C ATOM 0 H VAL A 83 -2.287 7.356 -8.011 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.876 5.264 -10.016 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.124 5.312 -7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.062 3.390 -9.182 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.036 4.860 -10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.820 3.587 -10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.343 3.036 -7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.031 3.219 -8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.068 4.248 -7.179 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.433 6.469 -11.553 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.204 7.280 -12.489 1.00 0.00 C ATOM 1329 C ARG A 84 -5.681 7.293 -12.108 1.00 0.00 C ATOM 1330 O ARG A 84 -6.328 8.340 -12.133 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.038 6.748 -13.913 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.001 7.369 -14.911 1.00 0.00 C ATOM 1333 CD ARG A 84 -4.950 6.655 -16.253 1.00 0.00 C ATOM 1334 NE ARG A 84 -6.056 7.046 -17.123 1.00 0.00 N ATOM 1335 CZ ARG A 84 -6.318 6.462 -18.287 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -5.557 5.464 -18.717 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -7.342 6.874 -19.022 1.00 0.00 N ATOM 0 H ARG A 84 -2.909 5.709 -11.986 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.826 8.301 -12.444 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.016 6.933 -14.244 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.181 5.667 -13.907 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.015 7.327 -14.514 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.755 8.422 -15.048 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.004 6.878 -16.747 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.979 5.577 -16.092 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.661 7.810 -16.820 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.769 5.144 -18.154 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.760 5.017 -19.611 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.930 7.640 -18.694 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.542 6.425 -19.916 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.207 6.124 -11.757 1.00 0.00 N ATOM 1352 CA GLN A 85 -7.608 6.002 -11.372 1.00 0.00 C ATOM 1353 C GLN A 85 -7.791 4.914 -10.320 1.00 0.00 C ATOM 1354 O GLN A 85 -7.418 3.761 -10.534 1.00 0.00 O ATOM 1355 CB GLN A 85 -8.470 5.694 -12.598 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.072 4.414 -13.315 1.00 0.00 C ATOM 1357 CD GLN A 85 -8.413 4.443 -14.792 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -7.547 4.672 -15.637 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -9.680 4.209 -15.112 1.00 0.00 N ATOM 0 H GLN A 85 -5.684 5.248 -11.731 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.925 6.952 -10.943 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.513 5.619 -12.289 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.404 6.528 -13.297 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.000 4.254 -13.196 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.575 3.568 -12.846 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.365 4.024 -14.379 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.968 4.215 -16.090 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.368 5.288 -9.183 1.00 0.00 N ATOM 1369 CA ALA A 86 -8.602 4.343 -8.098 1.00 0.00 C ATOM 1370 C ALA A 86 -10.009 3.760 -8.171 1.00 0.00 C ATOM 1371 O ALA A 86 -10.948 4.305 -7.591 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.378 5.018 -6.752 1.00 0.00 C ATOM 0 H ALA A 86 -8.682 6.239 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.891 3.523 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.556 4.301 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.352 5.380 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.066 5.857 -6.647 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.148 2.650 -8.889 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.440 1.993 -9.037 1.00 0.00 C ATOM 1380 C ALA A 87 -11.766 1.142 -7.814 1.00 0.00 C ATOM 1381 O ALA A 87 -10.868 0.667 -7.119 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.457 1.140 -10.296 1.00 0.00 C ATOM 0 H ALA A 87 -9.381 2.187 -9.377 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.205 2.765 -9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.428 0.655 -10.394 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.278 1.772 -11.166 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.677 0.381 -10.232 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.057 0.953 -7.557 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.501 0.161 -6.417 1.00 0.00 C ATOM 1390 C ARG A 88 -12.576 -1.032 -6.191 1.00 0.00 C ATOM 1391 O ARG A 88 -12.375 -1.468 -5.057 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.934 -0.327 -6.635 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.908 0.785 -6.993 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.323 0.451 -6.546 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.949 -0.545 -7.410 1.00 0.00 N ATOM 1396 CZ ARG A 88 -18.456 -0.267 -8.606 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -18.409 0.972 -9.077 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -19.009 -1.228 -9.334 1.00 0.00 N ATOM 0 H ARG A 88 -13.813 1.338 -8.123 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.471 0.796 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.938 -1.072 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.281 -0.825 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.587 1.716 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.895 0.949 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.301 0.080 -5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.926 1.359 -6.543 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.000 -1.508 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.983 1.713 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.799 1.184 -9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.045 -2.182 -8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.398 -1.013 -10.252 1.00 0.00 H new ATOM 1412 N SER A 89 -12.016 -1.554 -7.277 1.00 0.00 N ATOM 1413 CA SER A 89 -11.116 -2.699 -7.197 1.00 0.00 C ATOM 1414 C SER A 89 -9.794 -2.307 -6.543 1.00 0.00 C ATOM 1415 O SER A 89 -9.344 -2.950 -5.595 1.00 0.00 O ATOM 1416 CB SER A 89 -10.857 -3.269 -8.593 1.00 0.00 C ATOM 1417 OG SER A 89 -9.973 -4.375 -8.537 1.00 0.00 O ATOM 0 H SER A 89 -12.169 -1.203 -8.222 1.00 0.00 H new ATOM 0 HA SER A 89 -11.593 -3.462 -6.583 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.800 -3.576 -9.044 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.435 -2.494 -9.233 1.00 0.00 H new ATOM 0 HG SER A 89 -9.825 -4.722 -9.442 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.179 -1.247 -7.056 1.00 0.00 N ATOM 1424 CA ASP A 90 -7.910 -0.767 -6.522 1.00 0.00 C ATOM 1425 C ASP A 90 -7.925 -0.774 -4.997 1.00 0.00 C ATOM 1426 O ASP A 90 -6.909 -1.047 -4.358 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.617 0.644 -7.036 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.049 0.642 -8.441 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -6.283 -0.288 -8.770 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -7.369 1.571 -9.212 1.00 0.00 O ATOM 0 H ASP A 90 -9.539 -0.704 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.123 -1.440 -6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.535 1.231 -7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.913 1.134 -6.363 1.00 0.00 H new ATOM 1435 N SER A 91 -9.083 -0.470 -4.420 1.00 0.00 N ATOM 1436 CA SER A 91 -9.229 -0.437 -2.970 1.00 0.00 C ATOM 1437 C SER A 91 -8.864 -1.785 -2.355 1.00 0.00 C ATOM 1438 O SER A 91 -9.185 -2.837 -2.905 1.00 0.00 O ATOM 1439 CB SER A 91 -10.662 -0.061 -2.589 1.00 0.00 C ATOM 1440 OG SER A 91 -10.993 -0.552 -1.301 1.00 0.00 O ATOM 0 H SER A 91 -9.934 -0.243 -4.935 1.00 0.00 H new ATOM 0 HA SER A 91 -8.546 0.317 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.774 1.023 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.356 -0.466 -3.326 1.00 0.00 H new ATOM 0 HG SER A 91 -10.262 -0.356 -0.678 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.189 -1.743 -1.210 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.790 -2.966 -0.539 1.00 0.00 C ATOM 1448 C GLY A 92 -6.773 -2.721 0.558 1.00 0.00 C ATOM 1449 O GLY A 92 -6.878 -1.748 1.303 1.00 0.00 O ATOM 0 H GLY A 92 -7.912 -0.884 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.671 -3.447 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.372 -3.658 -1.270 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.788 -3.607 0.658 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.749 -3.483 1.674 1.00 0.00 C ATOM 1455 C GLU A 93 -3.363 -3.641 1.057 1.00 0.00 C ATOM 1456 O GLU A 93 -3.042 -4.680 0.481 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.953 -4.528 2.773 1.00 0.00 C ATOM 1458 CG GLU A 93 -4.365 -4.122 4.114 1.00 0.00 C ATOM 1459 CD GLU A 93 -4.953 -4.907 5.271 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -4.468 -6.027 5.536 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -5.899 -4.401 5.910 1.00 0.00 O ATOM 0 H GLU A 93 -5.687 -4.418 0.048 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.821 -2.487 2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.020 -4.712 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.501 -5.468 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.285 -4.268 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.539 -3.058 4.276 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.544 -2.602 1.183 1.00 0.00 N ATOM 1469 CA TYR A 94 -1.193 -2.623 0.635 1.00 0.00 C ATOM 1470 C TYR A 94 -0.174 -2.980 1.713 1.00 0.00 C ATOM 1471 O TYR A 94 -0.374 -2.688 2.892 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.848 -1.265 0.022 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.523 -1.012 -1.307 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.893 -1.188 -1.457 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.792 -0.595 -2.412 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.514 -0.958 -2.669 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.405 -0.361 -3.628 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.766 -0.545 -3.752 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.381 -0.314 -4.961 1.00 0.00 O ATOM 0 H TYR A 94 -2.792 -1.735 1.660 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.155 -3.386 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.132 -0.478 0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.232 -1.199 -0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.482 -1.510 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.274 -0.451 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.580 -1.101 -2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.821 -0.036 -4.477 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.713 -0.028 -5.619 1.00 0.00 H new ATOM 1489 N GLU A 95 0.918 -3.614 1.299 1.00 0.00 N ATOM 1490 CA GLU A 95 1.969 -4.012 2.229 1.00 0.00 C ATOM 1491 C GLU A 95 3.345 -3.634 1.689 1.00 0.00 C ATOM 1492 O GLU A 95 3.776 -4.134 0.649 1.00 0.00 O ATOM 1493 CB GLU A 95 1.907 -5.519 2.488 1.00 0.00 C ATOM 1494 CG GLU A 95 2.571 -5.940 3.788 1.00 0.00 C ATOM 1495 CD GLU A 95 2.893 -7.422 3.826 1.00 0.00 C ATOM 1496 OE1 GLU A 95 1.998 -8.213 4.190 1.00 0.00 O ATOM 1497 OE2 GLU A 95 4.038 -7.790 3.492 1.00 0.00 O ATOM 0 H GLU A 95 1.098 -3.863 0.326 1.00 0.00 H new ATOM 0 HA GLU A 95 1.808 -3.482 3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.864 -5.834 2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.385 -6.042 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.489 -5.369 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.915 -5.693 4.623 1.00 0.00 H new ATOM 1504 N LEU A 96 4.030 -2.747 2.402 1.00 0.00 N ATOM 1505 CA LEU A 96 5.358 -2.300 1.996 1.00 0.00 C ATOM 1506 C LEU A 96 6.434 -2.905 2.891 1.00 0.00 C ATOM 1507 O LEU A 96 6.491 -2.623 4.088 1.00 0.00 O ATOM 1508 CB LEU A 96 5.440 -0.773 2.042 1.00 0.00 C ATOM 1509 CG LEU A 96 6.625 -0.142 1.311 1.00 0.00 C ATOM 1510 CD1 LEU A 96 6.465 1.369 1.239 1.00 0.00 C ATOM 1511 CD2 LEU A 96 7.932 -0.509 1.998 1.00 0.00 C ATOM 0 H LEU A 96 3.688 -2.323 3.264 1.00 0.00 H new ATOM 0 HA LEU A 96 5.530 -2.637 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.521 -0.367 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.476 -0.462 3.086 1.00 0.00 H new ATOM 0 HG LEU A 96 6.650 -0.533 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.318 1.801 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.548 1.613 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.414 1.778 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.765 -0.051 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.917 -0.147 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.052 -1.592 1.997 1.00 0.00 H new ATOM 1523 N SER A 97 7.287 -3.737 2.303 1.00 0.00 N ATOM 1524 CA SER A 97 8.361 -4.383 3.047 1.00 0.00 C ATOM 1525 C SER A 97 9.723 -4.021 2.462 1.00 0.00 C ATOM 1526 O SER A 97 9.965 -4.196 1.268 1.00 0.00 O ATOM 1527 CB SER A 97 8.177 -5.902 3.035 1.00 0.00 C ATOM 1528 OG SER A 97 6.883 -6.262 3.487 1.00 0.00 O ATOM 0 H SER A 97 7.255 -3.980 1.313 1.00 0.00 H new ATOM 0 HA SER A 97 8.321 -4.027 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.332 -6.282 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.930 -6.368 3.670 1.00 0.00 H new ATOM 0 HG SER A 97 6.750 -7.225 3.364 1.00 0.00 H new ATOM 1534 N VAL A 98 10.610 -3.514 3.313 1.00 0.00 N ATOM 1535 CA VAL A 98 11.948 -3.126 2.882 1.00 0.00 C ATOM 1536 C VAL A 98 12.938 -4.271 3.069 1.00 0.00 C ATOM 1537 O VAL A 98 13.250 -4.655 4.196 1.00 0.00 O ATOM 1538 CB VAL A 98 12.452 -1.894 3.656 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.829 -1.479 3.162 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.463 -0.745 3.530 1.00 0.00 C ATOM 0 H VAL A 98 10.426 -3.362 4.305 1.00 0.00 H new ATOM 0 HA VAL A 98 11.880 -2.877 1.823 1.00 0.00 H new ATOM 0 HB VAL A 98 12.535 -2.158 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.168 -0.607 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.531 -2.300 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.776 -1.232 2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.835 0.118 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.346 -0.479 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.499 -1.049 3.937 1.00 0.00 H new ATOM 1550 N GLN A 99 13.428 -4.810 1.958 1.00 0.00 N ATOM 1551 CA GLN A 99 14.383 -5.911 2.000 1.00 0.00 C ATOM 1552 C GLN A 99 15.814 -5.393 1.906 1.00 0.00 C ATOM 1553 O GLN A 99 16.141 -4.601 1.021 1.00 0.00 O ATOM 1554 CB GLN A 99 14.108 -6.896 0.863 1.00 0.00 C ATOM 1555 CG GLN A 99 14.512 -8.326 1.186 1.00 0.00 C ATOM 1556 CD GLN A 99 13.770 -9.346 0.344 1.00 0.00 C ATOM 1557 OE1 GLN A 99 14.126 -9.593 -0.808 1.00 0.00 O ATOM 1558 NE2 GLN A 99 12.732 -9.944 0.917 1.00 0.00 N ATOM 0 H GLN A 99 13.180 -4.502 1.018 1.00 0.00 H new ATOM 0 HA GLN A 99 14.264 -6.426 2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.045 -6.873 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.644 -6.568 -0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.584 -8.441 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.322 -8.524 2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.472 -9.708 1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.194 -10.639 0.399 1.00 0.00 H new ATOM 1567 N ILE A 100 16.663 -5.845 2.822 1.00 0.00 N ATOM 1568 CA ILE A 100 18.060 -5.428 2.841 1.00 0.00 C ATOM 1569 C ILE A 100 18.988 -6.624 3.027 1.00 0.00 C ATOM 1570 O ILE A 100 18.566 -7.683 3.489 1.00 0.00 O ATOM 1571 CB ILE A 100 18.327 -4.407 3.962 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.869 -3.012 3.531 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.804 -4.395 4.327 1.00 0.00 C ATOM 1574 CD1 ILE A 100 18.129 -1.942 4.568 1.00 0.00 C ATOM 0 H ILE A 100 16.408 -6.500 3.561 1.00 0.00 H new ATOM 0 HA ILE A 100 18.263 -4.960 1.878 1.00 0.00 H new ATOM 0 HB ILE A 100 17.757 -4.701 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 100 18.378 -2.741 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 100 16.802 -3.041 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.977 -3.668 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.102 -5.386 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 100 20.393 -4.123 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 100 17.779 -0.980 4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 100 17.598 -2.189 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 100 19.198 -1.885 4.771 1.00 0.00 H new ATOM 1586 N GLU A 101 20.255 -6.445 2.664 1.00 0.00 N ATOM 1587 CA GLU A 101 21.243 -7.510 2.791 1.00 0.00 C ATOM 1588 C GLU A 101 20.852 -8.485 3.898 1.00 0.00 C ATOM 1589 O GLU A 101 20.513 -9.637 3.632 1.00 0.00 O ATOM 1590 CB GLU A 101 22.625 -6.921 3.081 1.00 0.00 C ATOM 1591 CG GLU A 101 23.321 -6.367 1.848 1.00 0.00 C ATOM 1592 CD GLU A 101 24.832 -6.413 1.962 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.416 -7.481 1.685 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.431 -5.379 2.327 1.00 0.00 O ATOM 0 H GLU A 101 20.621 -5.574 2.280 1.00 0.00 H new ATOM 0 HA GLU A 101 21.278 -8.053 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.524 -6.126 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.253 -7.692 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.009 -6.936 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 101 23.003 -5.337 1.688 1.00 0.00 H new ATOM 1601 N ASN A 102 20.902 -8.013 5.139 1.00 0.00 N ATOM 1602 CA ASN A 102 20.555 -8.844 6.287 1.00 0.00 C ATOM 1603 C ASN A 102 19.371 -8.253 7.047 1.00 0.00 C ATOM 1604 O ASN A 102 18.719 -8.941 7.831 1.00 0.00 O ATOM 1605 CB ASN A 102 21.757 -8.985 7.223 1.00 0.00 C ATOM 1606 CG ASN A 102 22.853 -9.849 6.630 1.00 0.00 C ATOM 1607 OD1 ASN A 102 23.237 -9.676 5.473 1.00 0.00 O ATOM 1608 ND2 ASN A 102 23.363 -10.785 7.422 1.00 0.00 N ATOM 0 H ASN A 102 21.179 -7.060 5.376 1.00 0.00 H new ATOM 0 HA ASN A 102 20.273 -9.830 5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.158 -7.996 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.429 -9.417 8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.104 -11.396 7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.014 -10.893 8.374 1.00 0.00 H new ATOM 1615 N MET A 103 19.100 -6.974 6.808 1.00 0.00 N ATOM 1616 CA MET A 103 17.993 -6.292 7.468 1.00 0.00 C ATOM 1617 C MET A 103 16.722 -6.381 6.630 1.00 0.00 C ATOM 1618 O MET A 103 16.779 -6.571 5.415 1.00 0.00 O ATOM 1619 CB MET A 103 18.349 -4.826 7.722 1.00 0.00 C ATOM 1620 CG MET A 103 19.439 -4.637 8.765 1.00 0.00 C ATOM 1621 SD MET A 103 18.996 -5.333 10.368 1.00 0.00 S ATOM 1622 CE MET A 103 17.498 -4.420 10.731 1.00 0.00 C ATOM 0 H MET A 103 19.631 -6.389 6.163 1.00 0.00 H new ATOM 0 HA MET A 103 17.812 -6.786 8.423 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.671 -4.371 6.785 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.454 -4.294 8.043 1.00 0.00 H new ATOM 0 HG2 MET A 103 20.359 -5.104 8.412 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.646 -3.573 8.880 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.151 -4.674 11.733 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.702 -3.351 10.678 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.729 -4.679 10.004 1.00 0.00 H new ATOM 1632 N LYS A 104 15.575 -6.242 7.286 1.00 0.00 N ATOM 1633 CA LYS A 104 14.289 -6.305 6.602 1.00 0.00 C ATOM 1634 C LYS A 104 13.222 -5.538 7.377 1.00 0.00 C ATOM 1635 O LYS A 104 13.364 -5.299 8.576 1.00 0.00 O ATOM 1636 CB LYS A 104 13.855 -7.762 6.423 1.00 0.00 C ATOM 1637 CG LYS A 104 12.687 -7.935 5.467 1.00 0.00 C ATOM 1638 CD LYS A 104 11.356 -7.886 6.198 1.00 0.00 C ATOM 1639 CE LYS A 104 10.910 -9.272 6.638 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.095 -9.223 7.883 1.00 0.00 N ATOM 0 H LYS A 104 15.510 -6.085 8.292 1.00 0.00 H new ATOM 0 HA LYS A 104 14.404 -5.843 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.702 -8.342 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.582 -8.173 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.716 -7.151 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.781 -8.887 4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.442 -7.237 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.599 -7.448 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.329 -9.736 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.786 -9.900 6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.580 -9.750 8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.971 -8.233 8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.164 -9.651 7.705 1.00 0.00 H new ATOM 1654 N ASP A 105 12.155 -5.155 6.684 1.00 0.00 N ATOM 1655 CA ASP A 105 11.063 -4.417 7.308 1.00 0.00 C ATOM 1656 C ASP A 105 9.736 -4.729 6.624 1.00 0.00 C ATOM 1657 O ASP A 105 9.705 -5.173 5.475 1.00 0.00 O ATOM 1658 CB ASP A 105 11.339 -2.914 7.253 1.00 0.00 C ATOM 1659 CG ASP A 105 10.727 -2.170 8.424 1.00 0.00 C ATOM 1660 OD1 ASP A 105 9.658 -2.598 8.906 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.319 -1.160 8.858 1.00 0.00 O ATOM 0 H ASP A 105 12.023 -5.343 5.690 1.00 0.00 H new ATOM 0 HA ASP A 105 10.995 -4.728 8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.416 -2.745 7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.943 -2.509 6.322 1.00 0.00 H new ATOM 1666 N THR A 106 8.638 -4.495 7.337 1.00 0.00 N ATOM 1667 CA THR A 106 7.308 -4.753 6.800 1.00 0.00 C ATOM 1668 C THR A 106 6.309 -3.707 7.281 1.00 0.00 C ATOM 1669 O THR A 106 6.529 -3.045 8.294 1.00 0.00 O ATOM 1670 CB THR A 106 6.802 -6.151 7.200 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.987 -6.356 8.605 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.536 -7.235 6.424 1.00 0.00 C ATOM 0 H THR A 106 8.644 -4.127 8.288 1.00 0.00 H new ATOM 0 HA THR A 106 7.390 -4.702 5.714 1.00 0.00 H new ATOM 0 HB THR A 106 5.740 -6.210 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.661 -7.247 8.851 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.162 -8.214 6.724 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.369 -7.094 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.604 -7.175 6.636 1.00 0.00 H new ATOM 1680 N ALA A 107 5.210 -3.563 6.547 1.00 0.00 N ATOM 1681 CA ALA A 107 4.176 -2.599 6.900 1.00 0.00 C ATOM 1682 C ALA A 107 2.877 -2.890 6.156 1.00 0.00 C ATOM 1683 O ALA A 107 2.872 -3.592 5.144 1.00 0.00 O ATOM 1684 CB ALA A 107 4.650 -1.184 6.605 1.00 0.00 C ATOM 0 H ALA A 107 5.013 -4.102 5.704 1.00 0.00 H new ATOM 0 HA ALA A 107 3.980 -2.689 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.867 -0.475 6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.547 -0.972 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.876 -1.090 5.543 1.00 0.00 H new ATOM 1690 N THR A 108 1.775 -2.347 6.664 1.00 0.00 N ATOM 1691 CA THR A 108 0.469 -2.550 6.049 1.00 0.00 C ATOM 1692 C THR A 108 -0.260 -1.225 5.858 1.00 0.00 C ATOM 1693 O THR A 108 -0.046 -0.274 6.610 1.00 0.00 O ATOM 1694 CB THR A 108 -0.410 -3.490 6.895 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.273 -4.727 7.123 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.738 -3.758 6.202 1.00 0.00 C ATOM 0 H THR A 108 1.761 -1.763 7.500 1.00 0.00 H new ATOM 0 HA THR A 108 0.645 -3.008 5.076 1.00 0.00 H new ATOM 0 HB THR A 108 -0.608 -3.004 7.850 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.292 -5.318 7.663 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.342 -4.424 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.269 -2.817 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.556 -4.225 5.234 1.00 0.00 H new ATOM 1704 N ILE A 109 -1.122 -1.170 4.848 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.884 0.039 4.560 1.00 0.00 C ATOM 1706 C ILE A 109 -3.307 -0.299 4.128 1.00 0.00 C ATOM 1707 O ILE A 109 -3.525 -1.213 3.333 1.00 0.00 O ATOM 1708 CB ILE A 109 -1.211 0.880 3.459 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.193 1.303 3.896 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -2.059 2.099 3.131 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.049 1.820 2.761 1.00 0.00 C ATOM 0 H ILE A 109 -1.310 -1.948 4.216 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.915 0.620 5.482 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.123 0.270 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.109 2.077 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.693 0.452 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.570 2.683 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.040 1.777 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.176 2.712 4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.030 2.101 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.163 1.041 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.571 2.691 2.313 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.272 0.447 4.656 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.675 0.227 4.325 1.00 0.00 C ATOM 1725 C ARG A 110 -6.181 1.301 3.366 1.00 0.00 C ATOM 1726 O ARG A 110 -6.070 2.496 3.641 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.526 0.221 5.596 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.239 -0.955 6.515 1.00 0.00 C ATOM 1729 CD ARG A 110 -7.068 -0.882 7.788 1.00 0.00 C ATOM 1730 NE ARG A 110 -8.429 -1.372 7.584 1.00 0.00 N ATOM 1731 CZ ARG A 110 -9.269 -1.640 8.577 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -8.891 -1.467 9.836 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -10.492 -2.082 8.311 1.00 0.00 N ATOM 0 H ARG A 110 -4.108 1.209 5.314 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.760 -0.743 3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.355 1.149 6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.580 0.205 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.454 -1.887 5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.179 -0.969 6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.585 -1.469 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.103 0.149 8.139 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.752 -1.516 6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.952 -1.127 10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.539 -1.674 10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.787 -2.216 7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.137 -2.288 9.074 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.737 0.866 2.240 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.261 1.790 1.241 1.00 0.00 C ATOM 1749 C ILE A 111 -8.704 1.453 0.884 1.00 0.00 C ATOM 1750 O ILE A 111 -9.017 0.317 0.528 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.409 1.774 -0.042 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -5.042 2.410 0.219 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.132 2.500 -1.167 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.179 2.516 -1.019 1.00 0.00 C ATOM 0 H ILE A 111 -6.836 -0.120 1.997 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.222 2.786 1.681 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.254 0.738 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.188 3.406 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.515 1.823 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.517 2.480 -2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.083 2.006 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.314 3.534 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.225 2.976 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.003 1.520 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.686 3.128 -1.765 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.580 2.448 0.980 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.991 2.257 0.667 1.00 0.00 C ATOM 1768 C ARG A 112 -11.441 3.225 -0.424 1.00 0.00 C ATOM 1769 O ARG A 112 -11.206 4.430 -0.334 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.845 2.452 1.921 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.330 2.596 1.631 1.00 0.00 C ATOM 1772 CD ARG A 112 -14.152 2.578 2.910 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.519 2.120 2.676 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.455 2.089 3.618 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -16.173 2.488 4.850 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.676 1.659 3.327 1.00 0.00 N ATOM 0 H ARG A 112 -9.337 3.395 1.272 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.122 1.238 0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.695 1.603 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.499 3.339 2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.508 3.529 1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.654 1.786 0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.672 1.927 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.174 3.579 3.341 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.769 1.807 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.235 2.820 5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.894 2.463 5.572 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.896 1.352 2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.394 1.635 4.051 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.089 2.689 -1.453 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.573 3.505 -2.561 1.00 0.00 C ATOM 1792 C VAL A 113 -14.091 3.633 -2.526 1.00 0.00 C ATOM 1793 O VAL A 113 -14.811 2.636 -2.584 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.149 2.915 -3.919 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.886 3.607 -5.055 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.643 3.027 -4.102 1.00 0.00 C ATOM 0 H VAL A 113 -12.291 1.693 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.126 4.492 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.416 1.858 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.574 3.177 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.960 3.469 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.653 4.672 -5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.361 2.605 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.349 4.076 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.138 2.480 -3.306 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.573 4.868 -2.432 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.007 5.129 -2.391 1.00 0.00 C ATOM 1808 C VAL A 114 -16.530 5.541 -3.762 1.00 0.00 C ATOM 1809 O VAL A 114 -15.843 6.228 -4.518 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.349 6.231 -1.371 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.838 5.855 0.012 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.773 7.566 -1.816 1.00 0.00 C ATOM 0 H VAL A 114 -13.991 5.704 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.488 4.200 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.433 6.329 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.089 6.645 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.303 4.922 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.756 5.728 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.024 8.333 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.689 7.485 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.192 7.838 -2.785 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.750 5.117 -4.077 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.365 5.443 -5.358 1.00 0.00 C ATOM 1824 C GLU A 115 -18.660 6.937 -5.456 1.00 0.00 C ATOM 1825 O GLU A 115 -19.333 7.507 -4.597 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.656 4.644 -5.548 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.426 3.157 -5.756 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.581 2.312 -5.254 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.594 2.203 -5.976 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -20.472 1.760 -4.139 1.00 0.00 O ATOM 0 H GLU A 115 -18.332 4.547 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.662 5.176 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.293 4.786 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.197 5.043 -6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.272 2.962 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.512 2.859 -5.242 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.150 7.567 -6.509 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.357 8.995 -6.722 1.00 0.00 C ATOM 1839 C LYS A 116 -19.769 9.406 -6.316 1.00 0.00 C ATOM 1840 O LYS A 116 -20.734 9.132 -7.030 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.111 9.353 -8.189 1.00 0.00 C ATOM 1842 CG LYS A 116 -18.994 8.587 -9.159 1.00 0.00 C ATOM 1843 CD LYS A 116 -18.488 8.705 -10.586 1.00 0.00 C ATOM 1844 CE LYS A 116 -17.422 7.662 -10.888 1.00 0.00 C ATOM 1845 NZ LYS A 116 -17.239 7.463 -12.352 1.00 0.00 N ATOM 0 H LYS A 116 -17.590 7.111 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.647 9.538 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -18.277 10.422 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.066 9.159 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -19.028 7.537 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -20.014 8.967 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.321 8.587 -11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -18.079 9.702 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.476 7.970 -10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.699 6.715 -10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.505 6.745 -12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.135 7.144 -12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.950 8.360 -12.791 1.00 0.00 H new