USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 751 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 Single : A 11 MET CE :methyl -120:sc= 0 (180deg=-0.611) USER MOD Single : A 13 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.7!) USER MOD Single : A 20 GLN : amide:sc= -0.927 K(o=-0.93,f=-5.4!) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -0.458 (180deg=-0.938) USER MOD Single : A 23 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.0059) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.028 K(o=-0.028,f=-0.9) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.569 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -66:sc= 0.338 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.383 USER MOD Single : A 52 GLN : amide:sc= -7.85! C(o=-7.8!,f=-4.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc=-0.00782 X(o=-0.0078,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 60:sc= -0.287 USER MOD Single : A 60 ASN : amide:sc= -4.75! C(o=-4.8!,f=-5.5!) USER MOD Single : A 64 ASN : amide:sc= -6.94! C(o=-6.9!,f=-7.1!) USER MOD Single : A 69 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.22) USER MOD Single : A 71 SER OG : rot -120:sc= -0.587 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.195) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= -0.0606 (180deg=-0.0606) USER MOD Single : A 103 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.21) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.9!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 HIS : no HD1:sc= -2.31! X(o=-2.3!,f=-1.9) USER MOD Single : A 122 GLN : amide:sc= -1.38 K(o=-1.4,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.819 3.045 9.556 1.00 0.00 N ATOM 173 CA MET A 11 -3.395 2.785 9.441 1.00 0.00 C ATOM 174 C MET A 11 -3.063 1.353 9.866 1.00 0.00 C ATOM 175 O MET A 11 -2.705 0.522 9.033 1.00 0.00 O ATOM 176 CB MET A 11 -2.623 3.771 10.321 1.00 0.00 C ATOM 177 CG MET A 11 -2.945 5.217 9.937 1.00 0.00 C ATOM 178 SD MET A 11 -1.667 6.307 10.540 1.00 0.00 S ATOM 179 CE MET A 11 -2.137 6.415 12.259 1.00 0.00 C ATOM 0 HA MET A 11 -3.105 2.911 8.398 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.876 3.604 11.368 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.552 3.594 10.219 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.028 5.305 8.854 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.909 5.507 10.355 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.348 7.454 12.514 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.028 5.811 12.431 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.322 6.047 12.883 1.00 0.00 H new ATOM 189 N ARG A 12 -3.193 1.109 11.162 1.00 0.00 N ATOM 190 CA ARG A 12 -2.911 -0.207 11.708 1.00 0.00 C ATOM 191 C ARG A 12 -3.695 -1.277 10.944 1.00 0.00 C ATOM 192 O ARG A 12 -3.221 -2.400 10.780 1.00 0.00 O ATOM 193 CB ARG A 12 -3.276 -0.278 13.192 1.00 0.00 C ATOM 194 CG ARG A 12 -4.682 0.275 13.437 1.00 0.00 C ATOM 195 CD ARG A 12 -4.717 1.140 14.699 1.00 0.00 C ATOM 196 NE ARG A 12 -3.874 2.342 14.512 1.00 0.00 N ATOM 197 CZ ARG A 12 -2.622 2.460 14.973 1.00 0.00 C ATOM 198 NH1 ARG A 12 -2.059 1.451 15.651 1.00 0.00 N ATOM 199 NH2 ARG A 12 -1.931 3.588 14.756 1.00 0.00 N ATOM 0 H ARG A 12 -3.490 1.801 11.850 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.842 -0.389 11.601 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.223 -1.311 13.534 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.551 0.289 13.776 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.000 0.866 12.578 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.389 -0.549 13.536 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.743 1.436 14.919 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.361 0.565 15.554 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.271 3.130 14.000 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.584 0.592 15.816 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.105 1.542 16.002 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.359 4.357 14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.978 3.678 15.107 1.00 0.00 H new ATOM 213 N GLN A 13 -4.882 -0.890 10.499 1.00 0.00 N ATOM 214 CA GLN A 13 -5.736 -1.802 9.758 1.00 0.00 C ATOM 215 C GLN A 13 -5.154 -2.062 8.367 1.00 0.00 C ATOM 216 O GLN A 13 -5.206 -3.185 7.868 1.00 0.00 O ATOM 217 CB GLN A 13 -7.164 -1.260 9.662 1.00 0.00 C ATOM 218 CG GLN A 13 -7.845 -1.265 11.032 1.00 0.00 C ATOM 219 CD GLN A 13 -8.757 -2.484 11.187 1.00 0.00 C ATOM 220 OE1 GLN A 13 -8.937 -3.276 10.277 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.320 -2.590 12.387 1.00 0.00 N ATOM 0 H GLN A 13 -5.272 0.042 10.638 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.777 -2.749 10.296 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.146 -0.245 9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.741 -1.866 8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.089 -1.270 11.818 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.428 -0.352 11.156 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.127 -1.891 13.105 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.945 -3.370 12.590 1.00 0.00 H new ATOM 230 N LEU A 14 -4.614 -1.004 7.779 1.00 0.00 N ATOM 231 CA LEU A 14 -4.023 -1.104 6.455 1.00 0.00 C ATOM 232 C LEU A 14 -2.856 -2.093 6.496 1.00 0.00 C ATOM 233 O LEU A 14 -2.741 -2.958 5.629 1.00 0.00 O ATOM 234 CB LEU A 14 -3.637 0.282 5.936 1.00 0.00 C ATOM 235 CG LEU A 14 -4.615 0.926 4.951 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.053 2.238 4.398 1.00 0.00 C ATOM 237 CD2 LEU A 14 -4.992 -0.051 3.835 1.00 0.00 C ATOM 0 H LEU A 14 -4.573 -0.074 8.195 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.748 -1.496 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.521 0.949 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.662 0.209 5.454 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.531 1.170 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.768 2.675 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.876 2.933 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.114 2.042 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.688 0.432 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.094 -0.348 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.463 -0.934 4.268 1.00 0.00 H new ATOM 249 N ILE A 15 -2.020 -1.932 7.511 1.00 0.00 N ATOM 250 CA ILE A 15 -0.867 -2.800 7.675 1.00 0.00 C ATOM 251 C ILE A 15 -1.343 -4.224 7.969 1.00 0.00 C ATOM 252 O ILE A 15 -0.771 -5.189 7.467 1.00 0.00 O ATOM 253 CB ILE A 15 0.080 -2.237 8.737 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.796 -0.985 8.225 1.00 0.00 C ATOM 255 CG2 ILE A 15 1.065 -3.305 9.215 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.099 0.249 8.350 1.00 0.00 C ATOM 0 H ILE A 15 -2.118 -1.213 8.228 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.287 -2.841 6.753 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.514 -1.938 9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.715 -0.831 8.790 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.083 -1.126 7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.726 -2.879 9.969 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.514 -4.141 9.646 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.657 -3.658 8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.434 1.124 7.979 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.006 0.101 7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.364 0.402 9.396 1.00 0.00 H new ATOM 268 N ASP A 16 -2.386 -4.309 8.782 1.00 0.00 N ATOM 269 CA ASP A 16 -2.946 -5.598 9.148 1.00 0.00 C ATOM 270 C ASP A 16 -3.584 -6.242 7.915 1.00 0.00 C ATOM 271 O ASP A 16 -3.376 -7.425 7.650 1.00 0.00 O ATOM 272 CB ASP A 16 -4.031 -5.445 10.216 1.00 0.00 C ATOM 273 CG ASP A 16 -3.818 -6.280 11.479 1.00 0.00 C ATOM 274 OD1 ASP A 16 -2.994 -7.218 11.408 1.00 0.00 O ATOM 275 OD2 ASP A 16 -4.483 -5.963 12.489 1.00 0.00 O ATOM 0 H ASP A 16 -2.858 -3.506 9.197 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.138 -6.216 9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.095 -4.395 10.500 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.992 -5.715 9.778 1.00 0.00 H new ATOM 280 N ILE A 17 -4.348 -5.434 7.194 1.00 0.00 N ATOM 281 CA ILE A 17 -5.017 -5.910 5.996 1.00 0.00 C ATOM 282 C ILE A 17 -3.997 -6.594 5.084 1.00 0.00 C ATOM 283 O ILE A 17 -4.196 -7.736 4.670 1.00 0.00 O ATOM 284 CB ILE A 17 -5.779 -4.769 5.319 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.266 -4.815 5.674 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.550 -4.779 3.806 1.00 0.00 C ATOM 287 CD1 ILE A 17 -7.784 -3.425 6.049 1.00 0.00 C ATOM 0 H ILE A 17 -4.518 -4.453 7.417 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.768 -6.658 6.251 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.387 -3.825 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.834 -5.202 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.424 -5.502 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.103 -3.958 3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.487 -4.661 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.897 -5.725 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.844 -3.486 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.231 -3.051 6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.647 -2.746 5.207 1.00 0.00 H new ATOM 299 N VAL A 18 -2.926 -5.868 4.798 1.00 0.00 N ATOM 300 CA VAL A 18 -1.874 -6.391 3.943 1.00 0.00 C ATOM 301 C VAL A 18 -1.365 -7.714 4.519 1.00 0.00 C ATOM 302 O VAL A 18 -1.410 -8.745 3.849 1.00 0.00 O ATOM 303 CB VAL A 18 -0.768 -5.347 3.777 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.301 -5.833 2.796 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.346 -4.001 3.336 1.00 0.00 C ATOM 0 H VAL A 18 -2.764 -4.922 5.143 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.260 -6.598 2.945 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.293 -5.205 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.076 -5.073 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.745 -6.756 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.155 -6.017 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.539 -3.277 3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.859 -4.121 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.052 -3.645 4.086 1.00 0.00 H new ATOM 315 N ASP A 19 -0.893 -7.643 5.755 1.00 0.00 N ATOM 316 CA ASP A 19 -0.377 -8.822 6.428 1.00 0.00 C ATOM 317 C ASP A 19 -1.425 -9.936 6.372 1.00 0.00 C ATOM 318 O ASP A 19 -1.081 -11.110 6.240 1.00 0.00 O ATOM 319 CB ASP A 19 -0.076 -8.529 7.899 1.00 0.00 C ATOM 320 CG ASP A 19 0.679 -9.636 8.638 1.00 0.00 C ATOM 321 OD1 ASP A 19 1.655 -10.148 8.048 1.00 0.00 O ATOM 322 OD2 ASP A 19 0.264 -9.945 9.776 1.00 0.00 O ATOM 0 H ASP A 19 -0.857 -6.787 6.308 1.00 0.00 H new ATOM 0 HA ASP A 19 0.542 -9.122 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.507 -7.610 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.017 -8.344 8.417 1.00 0.00 H new ATOM 327 N GLN A 20 -2.681 -9.528 6.476 1.00 0.00 N ATOM 328 CA GLN A 20 -3.781 -10.477 6.438 1.00 0.00 C ATOM 329 C GLN A 20 -3.735 -11.292 5.144 1.00 0.00 C ATOM 330 O GLN A 20 -3.756 -12.522 5.180 1.00 0.00 O ATOM 331 CB GLN A 20 -5.126 -9.764 6.590 1.00 0.00 C ATOM 332 CG GLN A 20 -5.961 -10.398 7.704 1.00 0.00 C ATOM 333 CD GLN A 20 -5.334 -10.138 9.075 1.00 0.00 C ATOM 334 OE1 GLN A 20 -4.131 -9.995 9.219 1.00 0.00 O ATOM 335 NE2 GLN A 20 -6.214 -10.086 10.071 1.00 0.00 N ATOM 0 H GLN A 20 -2.962 -8.554 6.587 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.673 -11.162 7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.960 -8.710 6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.674 -9.810 5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.973 -9.993 7.680 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.043 -11.472 7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.208 -10.214 9.881 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.895 -9.918 11.025 1.00 0.00 H new ATOM 344 N LEU A 21 -3.674 -10.575 4.032 1.00 0.00 N ATOM 345 CA LEU A 21 -3.626 -11.216 2.730 1.00 0.00 C ATOM 346 C LEU A 21 -2.359 -12.070 2.633 1.00 0.00 C ATOM 347 O LEU A 21 -2.413 -13.220 2.200 1.00 0.00 O ATOM 348 CB LEU A 21 -3.752 -10.176 1.615 1.00 0.00 C ATOM 349 CG LEU A 21 -3.185 -10.580 0.253 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.656 -10.550 0.265 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.728 -11.941 -0.186 1.00 0.00 C ATOM 0 H LEU A 21 -3.657 -9.555 4.006 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.475 -11.888 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.807 -9.933 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.251 -9.263 1.938 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.516 -9.849 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.279 -10.841 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.314 -9.542 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.284 -11.245 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.309 -12.204 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.448 -12.698 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.814 -11.892 -0.261 1.00 0.00 H new ATOM 363 N LYS A 22 -1.250 -11.473 3.043 1.00 0.00 N ATOM 364 CA LYS A 22 0.028 -12.164 3.009 1.00 0.00 C ATOM 365 C LYS A 22 -0.098 -13.497 3.749 1.00 0.00 C ATOM 366 O LYS A 22 0.393 -14.522 3.278 1.00 0.00 O ATOM 367 CB LYS A 22 1.140 -11.263 3.549 1.00 0.00 C ATOM 368 CG LYS A 22 1.830 -10.503 2.415 1.00 0.00 C ATOM 369 CD LYS A 22 3.306 -10.259 2.737 1.00 0.00 C ATOM 370 CE LYS A 22 3.459 -9.468 4.038 1.00 0.00 C ATOM 371 NZ LYS A 22 2.579 -8.279 4.028 1.00 0.00 N ATOM 0 H LYS A 22 -1.210 -10.519 3.401 1.00 0.00 H new ATOM 0 HA LYS A 22 0.309 -12.395 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.723 -10.555 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.873 -11.866 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.745 -11.070 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.327 -9.550 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.826 -11.213 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.775 -9.714 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.212 -10.104 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.497 -9.159 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.849 -7.641 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.678 -7.781 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.591 -8.578 4.153 1.00 0.00 H new ATOM 385 N ASN A 23 -0.758 -13.440 4.896 1.00 0.00 N ATOM 386 CA ASN A 23 -0.955 -14.630 5.707 1.00 0.00 C ATOM 387 C ASN A 23 -1.742 -15.666 4.901 1.00 0.00 C ATOM 388 O ASN A 23 -1.770 -16.843 5.257 1.00 0.00 O ATOM 389 CB ASN A 23 -1.752 -14.309 6.972 1.00 0.00 C ATOM 390 CG ASN A 23 -1.651 -15.449 7.988 1.00 0.00 C ATOM 391 OD1 ASN A 23 -0.643 -15.639 8.649 1.00 0.00 O ATOM 392 ND2 ASN A 23 -2.749 -16.195 8.074 1.00 0.00 N ATOM 0 H ASN A 23 -1.164 -12.588 5.284 1.00 0.00 H new ATOM 0 HA ASN A 23 0.026 -15.013 5.988 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.379 -13.387 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.797 -14.138 6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.782 -16.981 8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.558 -15.981 7.491 1.00 0.00 H new ATOM 399 N TYR A 24 -2.363 -15.190 3.832 1.00 0.00 N ATOM 400 CA TYR A 24 -3.148 -16.060 2.974 1.00 0.00 C ATOM 401 C TYR A 24 -2.492 -16.214 1.600 1.00 0.00 C ATOM 402 O TYR A 24 -3.178 -16.411 0.599 1.00 0.00 O ATOM 403 CB TYR A 24 -4.504 -15.372 2.803 1.00 0.00 C ATOM 404 CG TYR A 24 -5.506 -15.687 3.916 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.626 -16.977 4.392 1.00 0.00 C ATOM 406 CD2 TYR A 24 -6.290 -14.681 4.444 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.569 -17.273 5.439 1.00 0.00 C ATOM 408 CE2 TYR A 24 -7.232 -14.977 5.492 1.00 0.00 C ATOM 409 CZ TYR A 24 -7.326 -16.259 5.937 1.00 0.00 C ATOM 410 OH TYR A 24 -8.216 -16.539 6.926 1.00 0.00 O ATOM 0 H TYR A 24 -2.338 -14.213 3.541 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.235 -17.054 3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.350 -14.294 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.933 -15.670 1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.013 -17.764 3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.197 -13.672 4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.673 -18.278 5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.850 -14.199 5.915 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.686 -15.719 7.185 1.00 0.00 H new ATOM 420 N VAL A 25 -1.171 -16.117 1.597 1.00 0.00 N ATOM 421 CA VAL A 25 -0.414 -16.243 0.363 1.00 0.00 C ATOM 422 C VAL A 25 -0.839 -17.521 -0.362 1.00 0.00 C ATOM 423 O VAL A 25 -0.770 -17.595 -1.588 1.00 0.00 O ATOM 424 CB VAL A 25 1.086 -16.195 0.662 1.00 0.00 C ATOM 425 CG1 VAL A 25 1.891 -16.834 -0.471 1.00 0.00 C ATOM 426 CG2 VAL A 25 1.548 -14.760 0.922 1.00 0.00 C ATOM 0 H VAL A 25 -0.605 -15.953 2.430 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.626 -15.406 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 25 1.266 -16.773 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.954 -16.787 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.591 -17.875 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.702 -16.296 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.618 -14.754 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.348 -14.148 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.008 -14.353 1.777 1.00 0.00 H new ATOM 436 N ASN A 26 -1.268 -18.496 0.425 1.00 0.00 N ATOM 437 CA ASN A 26 -1.704 -19.767 -0.127 1.00 0.00 C ATOM 438 C ASN A 26 -2.761 -19.515 -1.204 1.00 0.00 C ATOM 439 O ASN A 26 -2.988 -20.362 -2.067 1.00 0.00 O ATOM 440 CB ASN A 26 -2.331 -20.651 0.953 1.00 0.00 C ATOM 441 CG ASN A 26 -2.455 -22.098 0.474 1.00 0.00 C ATOM 442 OD1 ASN A 26 -1.618 -22.614 -0.249 1.00 0.00 O ATOM 443 ND2 ASN A 26 -3.543 -22.723 0.914 1.00 0.00 N ATOM 0 H ASN A 26 -1.323 -18.431 1.441 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.831 -20.270 -0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.722 -20.614 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.316 -20.266 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.717 -23.692 0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.204 -22.233 1.517 1.00 0.00 H new ATOM 450 N ASP A 27 -3.380 -18.347 -1.118 1.00 0.00 N ATOM 451 CA ASP A 27 -4.408 -17.972 -2.074 1.00 0.00 C ATOM 452 C ASP A 27 -3.965 -16.716 -2.827 1.00 0.00 C ATOM 453 O ASP A 27 -4.751 -15.787 -3.008 1.00 0.00 O ATOM 454 CB ASP A 27 -5.729 -17.659 -1.369 1.00 0.00 C ATOM 455 CG ASP A 27 -6.457 -18.875 -0.790 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.750 -19.765 -0.270 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.704 -18.886 -0.882 1.00 0.00 O ATOM 0 H ASP A 27 -3.189 -17.647 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.554 -18.809 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.534 -16.953 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.392 -17.160 -2.076 1.00 0.00 H new ATOM 462 N LEU A 28 -2.708 -16.728 -3.245 1.00 0.00 N ATOM 463 CA LEU A 28 -2.151 -15.601 -3.974 1.00 0.00 C ATOM 464 C LEU A 28 -1.656 -16.078 -5.341 1.00 0.00 C ATOM 465 O LEU A 28 -1.106 -17.172 -5.459 1.00 0.00 O ATOM 466 CB LEU A 28 -1.076 -14.902 -3.140 1.00 0.00 C ATOM 467 CG LEU A 28 -1.576 -13.850 -2.147 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.405 -13.143 -1.462 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.523 -12.860 -2.828 1.00 0.00 C ATOM 0 H LEU A 28 -2.059 -17.500 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.918 -14.849 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.523 -15.661 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.370 -14.425 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.146 -14.358 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.788 -12.401 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.197 -13.875 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.212 -12.649 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.864 -12.123 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.999 -12.354 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.382 -13.397 -3.231 1.00 0.00 H new ATOM 481 N VAL A 29 -1.869 -15.234 -6.340 1.00 0.00 N ATOM 482 CA VAL A 29 -1.452 -15.555 -7.694 1.00 0.00 C ATOM 483 C VAL A 29 -0.259 -14.677 -8.077 1.00 0.00 C ATOM 484 O VAL A 29 -0.338 -13.451 -8.007 1.00 0.00 O ATOM 485 CB VAL A 29 -2.633 -15.411 -8.654 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.706 -13.993 -9.225 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.559 -16.449 -9.775 1.00 0.00 C ATOM 0 H VAL A 29 -2.325 -14.327 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.125 -16.593 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.547 -15.593 -8.089 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.555 -13.918 -9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.829 -13.279 -8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.787 -13.771 -9.767 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.411 -16.324 -10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.635 -16.313 -10.336 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.579 -17.451 -9.345 1.00 0.00 H new ATOM 497 N PRO A 30 0.848 -15.355 -8.483 1.00 0.00 N ATOM 498 CA PRO A 30 2.055 -14.650 -8.878 1.00 0.00 C ATOM 499 C PRO A 30 1.893 -14.016 -10.261 1.00 0.00 C ATOM 500 O PRO A 30 1.952 -14.709 -11.276 1.00 0.00 O ATOM 501 CB PRO A 30 3.156 -15.698 -8.829 1.00 0.00 C ATOM 502 CG PRO A 30 2.452 -17.044 -8.863 1.00 0.00 C ATOM 503 CD PRO A 30 0.977 -16.807 -8.578 1.00 0.00 C ATOM 0 HA PRO A 30 2.289 -13.814 -8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.835 -15.591 -9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.755 -15.593 -7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.581 -17.518 -9.836 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.881 -17.718 -8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.350 -17.209 -9.374 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.669 -17.294 -7.653 1.00 0.00 H new ATOM 511 N GLU A 31 1.692 -12.707 -10.256 1.00 0.00 N ATOM 512 CA GLU A 31 1.521 -11.972 -11.498 1.00 0.00 C ATOM 513 C GLU A 31 2.432 -10.742 -11.517 1.00 0.00 C ATOM 514 O GLU A 31 2.916 -10.308 -10.472 1.00 0.00 O ATOM 515 CB GLU A 31 0.058 -11.574 -11.703 1.00 0.00 C ATOM 516 CG GLU A 31 -0.322 -11.624 -13.184 1.00 0.00 C ATOM 517 CD GLU A 31 -0.149 -13.037 -13.746 1.00 0.00 C ATOM 518 OE1 GLU A 31 -1.084 -13.844 -13.550 1.00 0.00 O ATOM 519 OE2 GLU A 31 0.913 -13.278 -14.359 1.00 0.00 O ATOM 0 H GLU A 31 1.644 -12.136 -9.412 1.00 0.00 H new ATOM 0 HA GLU A 31 1.805 -12.623 -12.325 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.588 -12.244 -11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.107 -10.569 -11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.356 -11.303 -13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.299 -10.926 -13.746 1.00 0.00 H new ATOM 526 N PHE A 32 2.637 -10.216 -12.715 1.00 0.00 N ATOM 527 CA PHE A 32 3.481 -9.045 -12.883 1.00 0.00 C ATOM 528 C PHE A 32 2.861 -7.821 -12.206 1.00 0.00 C ATOM 529 O PHE A 32 2.050 -7.119 -12.808 1.00 0.00 O ATOM 530 CB PHE A 32 3.587 -8.782 -14.387 1.00 0.00 C ATOM 531 CG PHE A 32 4.294 -9.895 -15.164 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.638 -10.059 -15.045 1.00 0.00 C ATOM 533 CD2 PHE A 32 3.577 -10.719 -15.974 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.294 -11.092 -15.767 1.00 0.00 C ATOM 535 CE2 PHE A 32 4.232 -11.752 -16.696 1.00 0.00 C ATOM 536 CZ PHE A 32 5.577 -11.916 -16.577 1.00 0.00 C ATOM 0 H PHE A 32 2.234 -10.579 -13.579 1.00 0.00 H new ATOM 0 HA PHE A 32 4.457 -9.222 -12.431 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.585 -8.649 -14.794 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.122 -7.846 -14.545 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.207 -9.404 -14.402 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.509 -10.588 -16.068 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.362 -11.223 -15.673 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.663 -12.407 -17.339 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.076 -12.701 -17.126 1.00 0.00 H new ATOM 546 N LEU A 33 3.268 -7.602 -10.964 1.00 0.00 N ATOM 547 CA LEU A 33 2.762 -6.475 -10.199 1.00 0.00 C ATOM 548 C LEU A 33 3.846 -5.398 -10.109 1.00 0.00 C ATOM 549 O LEU A 33 4.979 -5.684 -9.725 1.00 0.00 O ATOM 550 CB LEU A 33 2.244 -6.941 -8.837 1.00 0.00 C ATOM 551 CG LEU A 33 0.725 -6.915 -8.653 1.00 0.00 C ATOM 552 CD1 LEU A 33 0.015 -7.512 -9.870 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.319 -7.612 -7.353 1.00 0.00 C ATOM 0 H LEU A 33 3.942 -8.186 -10.469 1.00 0.00 H new ATOM 0 HA LEU A 33 1.906 -6.026 -10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.593 -7.959 -8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.694 -6.316 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 33 0.408 -5.875 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.063 -7.481 -9.713 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.269 -6.935 -10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.333 -8.546 -10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.765 -7.580 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.650 -8.650 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.782 -7.103 -6.507 1.00 0.00 H new ATOM 565 N PRO A 34 3.450 -4.151 -10.480 1.00 0.00 N ATOM 566 CA PRO A 34 4.374 -3.031 -10.444 1.00 0.00 C ATOM 567 C PRO A 34 4.616 -2.564 -9.007 1.00 0.00 C ATOM 568 O PRO A 34 3.673 -2.416 -8.232 1.00 0.00 O ATOM 569 CB PRO A 34 3.732 -1.963 -11.315 1.00 0.00 C ATOM 570 CG PRO A 34 2.264 -2.344 -11.427 1.00 0.00 C ATOM 571 CD PRO A 34 2.116 -3.776 -10.940 1.00 0.00 C ATOM 0 HA PRO A 34 5.364 -3.291 -10.819 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.846 -0.975 -10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.202 -1.926 -12.298 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.648 -1.672 -10.829 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.924 -2.255 -12.459 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.385 -3.847 -10.135 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.774 -4.433 -11.740 1.00 0.00 H new ATOM 579 N ALA A 35 5.885 -2.347 -8.696 1.00 0.00 N ATOM 580 CA ALA A 35 6.263 -1.901 -7.365 1.00 0.00 C ATOM 581 C ALA A 35 7.326 -0.807 -7.482 1.00 0.00 C ATOM 582 O ALA A 35 8.395 -1.033 -8.048 1.00 0.00 O ATOM 583 CB ALA A 35 6.745 -3.097 -6.543 1.00 0.00 C ATOM 0 H ALA A 35 6.665 -2.471 -9.342 1.00 0.00 H new ATOM 0 HA ALA A 35 5.405 -1.474 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.028 -2.762 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.944 -3.832 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.607 -3.551 -7.032 1.00 0.00 H new ATOM 589 N PRO A 36 6.988 0.386 -6.923 1.00 0.00 N ATOM 590 CA PRO A 36 7.901 1.516 -6.959 1.00 0.00 C ATOM 591 C PRO A 36 9.042 1.330 -5.956 1.00 0.00 C ATOM 592 O PRO A 36 8.810 1.282 -4.749 1.00 0.00 O ATOM 593 CB PRO A 36 7.037 2.730 -6.659 1.00 0.00 C ATOM 594 CG PRO A 36 5.772 2.191 -6.010 1.00 0.00 C ATOM 595 CD PRO A 36 5.731 0.690 -6.245 1.00 0.00 C ATOM 0 HA PRO A 36 8.397 1.626 -7.923 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.553 3.422 -5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.804 3.279 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.767 2.411 -4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.890 2.669 -6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.646 0.144 -5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.873 0.408 -6.856 1.00 0.00 H new ATOM 603 N GLU A 37 10.249 1.232 -6.493 1.00 0.00 N ATOM 604 CA GLU A 37 11.426 1.053 -5.661 1.00 0.00 C ATOM 605 C GLU A 37 12.137 2.392 -5.452 1.00 0.00 C ATOM 606 O GLU A 37 12.482 3.072 -6.417 1.00 0.00 O ATOM 607 CB GLU A 37 12.375 0.017 -6.267 1.00 0.00 C ATOM 608 CG GLU A 37 12.657 0.328 -7.739 1.00 0.00 C ATOM 609 CD GLU A 37 13.914 -0.399 -8.221 1.00 0.00 C ATOM 610 OE1 GLU A 37 14.993 -0.094 -7.669 1.00 0.00 O ATOM 611 OE2 GLU A 37 13.767 -1.244 -9.131 1.00 0.00 O ATOM 0 H GLU A 37 10.437 1.273 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 37 11.105 0.678 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.311 0.005 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.938 -0.978 -6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.804 0.029 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.781 1.403 -7.870 1.00 0.00 H new ATOM 618 N ASP A 38 12.335 2.730 -4.186 1.00 0.00 N ATOM 619 CA ASP A 38 12.998 3.975 -3.839 1.00 0.00 C ATOM 620 C ASP A 38 12.216 5.148 -4.433 1.00 0.00 C ATOM 621 O ASP A 38 12.453 5.542 -5.574 1.00 0.00 O ATOM 622 CB ASP A 38 14.419 4.018 -4.405 1.00 0.00 C ATOM 623 CG ASP A 38 15.442 4.743 -3.528 1.00 0.00 C ATOM 624 OD1 ASP A 38 15.037 5.737 -2.887 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.606 4.288 -3.520 1.00 0.00 O ATOM 0 H ASP A 38 12.048 2.163 -3.388 1.00 0.00 H new ATOM 0 HA ASP A 38 13.040 4.043 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.761 2.996 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.391 4.503 -5.381 1.00 0.00 H new ATOM 630 N VAL A 39 11.299 5.672 -3.633 1.00 0.00 N ATOM 631 CA VAL A 39 10.481 6.792 -4.066 1.00 0.00 C ATOM 632 C VAL A 39 10.849 8.033 -3.251 1.00 0.00 C ATOM 633 O VAL A 39 11.152 7.932 -2.063 1.00 0.00 O ATOM 634 CB VAL A 39 8.998 6.427 -3.963 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.482 5.852 -5.283 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.752 5.456 -2.807 1.00 0.00 C ATOM 0 H VAL A 39 11.104 5.342 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 39 10.674 7.023 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 39 8.441 7.341 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.426 5.601 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.606 6.591 -6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.046 4.954 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.691 5.213 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.326 4.544 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.064 5.919 -1.871 1.00 0.00 H new ATOM 646 N GLU A 40 10.812 9.175 -3.921 1.00 0.00 N ATOM 647 CA GLU A 40 11.139 10.434 -3.274 1.00 0.00 C ATOM 648 C GLU A 40 10.252 10.645 -2.045 1.00 0.00 C ATOM 649 O GLU A 40 9.226 9.982 -1.894 1.00 0.00 O ATOM 650 CB GLU A 40 11.008 11.604 -4.252 1.00 0.00 C ATOM 651 CG GLU A 40 11.499 12.906 -3.617 1.00 0.00 C ATOM 652 CD GLU A 40 11.934 13.908 -4.688 1.00 0.00 C ATOM 653 OE1 GLU A 40 11.157 14.083 -5.651 1.00 0.00 O ATOM 654 OE2 GLU A 40 13.034 14.477 -4.519 1.00 0.00 O ATOM 0 H GLU A 40 10.560 9.255 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 40 12.178 10.392 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.584 11.395 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.967 11.713 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.705 13.340 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.334 12.697 -2.949 1.00 0.00 H new ATOM 661 N THR A 41 10.679 11.570 -1.198 1.00 0.00 N ATOM 662 CA THR A 41 9.936 11.876 0.012 1.00 0.00 C ATOM 663 C THR A 41 8.541 12.399 -0.336 1.00 0.00 C ATOM 664 O THR A 41 7.676 12.499 0.533 1.00 0.00 O ATOM 665 CB THR A 41 10.765 12.861 0.839 1.00 0.00 C ATOM 666 OG1 THR A 41 11.364 12.050 1.846 1.00 0.00 O ATOM 667 CG2 THR A 41 9.894 13.846 1.622 1.00 0.00 C ATOM 0 H THR A 41 11.530 12.117 -1.326 1.00 0.00 H new ATOM 0 HA THR A 41 9.773 10.981 0.613 1.00 0.00 H new ATOM 0 HB THR A 41 11.435 13.414 0.181 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.921 12.609 2.427 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.531 14.522 2.192 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.282 14.422 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.247 13.296 2.305 1.00 0.00 H new ATOM 675 N ASN A 42 8.365 12.720 -1.610 1.00 0.00 N ATOM 676 CA ASN A 42 7.089 13.230 -2.083 1.00 0.00 C ATOM 677 C ASN A 42 6.616 12.386 -3.269 1.00 0.00 C ATOM 678 O ASN A 42 5.833 12.853 -4.095 1.00 0.00 O ATOM 679 CB ASN A 42 7.217 14.679 -2.556 1.00 0.00 C ATOM 680 CG ASN A 42 6.136 15.559 -1.927 1.00 0.00 C ATOM 681 OD1 ASN A 42 4.947 15.350 -2.105 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.612 16.552 -1.182 1.00 0.00 N ATOM 0 H ASN A 42 9.084 12.637 -2.328 1.00 0.00 H new ATOM 0 HA ASN A 42 6.379 13.181 -1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.202 15.065 -2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.137 14.719 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.970 17.195 -0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.619 16.671 -1.074 1.00 0.00 H new ATOM 689 N CYS A 43 7.111 11.158 -3.314 1.00 0.00 N ATOM 690 CA CYS A 43 6.748 10.244 -4.385 1.00 0.00 C ATOM 691 C CYS A 43 6.018 9.049 -3.769 1.00 0.00 C ATOM 692 O CYS A 43 5.066 8.531 -4.352 1.00 0.00 O ATOM 693 CB CYS A 43 7.970 9.811 -5.197 1.00 0.00 C ATOM 694 SG CYS A 43 7.584 9.018 -6.801 1.00 0.00 S ATOM 0 H CYS A 43 7.760 10.774 -2.627 1.00 0.00 H new ATOM 0 HA CYS A 43 6.087 10.748 -5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.595 10.685 -5.381 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.560 9.118 -4.598 1.00 0.00 H new ATOM 0 HG CYS A 43 8.690 8.695 -7.403 1.00 0.00 H new ATOM 699 N GLU A 44 6.493 8.644 -2.600 1.00 0.00 N ATOM 700 CA GLU A 44 5.897 7.519 -1.900 1.00 0.00 C ATOM 701 C GLU A 44 4.378 7.525 -2.081 1.00 0.00 C ATOM 702 O GLU A 44 3.750 6.468 -2.122 1.00 0.00 O ATOM 703 CB GLU A 44 6.273 7.536 -0.417 1.00 0.00 C ATOM 704 CG GLU A 44 7.792 7.566 -0.236 1.00 0.00 C ATOM 705 CD GLU A 44 8.209 8.693 0.710 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.910 9.859 0.371 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.818 8.364 1.751 1.00 0.00 O ATOM 0 H GLU A 44 7.283 9.075 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 44 6.290 6.598 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.829 8.407 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.862 6.655 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.134 6.609 0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.275 7.702 -1.204 1.00 0.00 H new ATOM 714 N TRP A 45 3.831 8.727 -2.184 1.00 0.00 N ATOM 715 CA TRP A 45 2.397 8.885 -2.360 1.00 0.00 C ATOM 716 C TRP A 45 2.057 8.531 -3.809 1.00 0.00 C ATOM 717 O TRP A 45 1.288 7.605 -4.062 1.00 0.00 O ATOM 718 CB TRP A 45 1.948 10.293 -1.967 1.00 0.00 C ATOM 719 CG TRP A 45 1.924 10.540 -0.457 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.819 11.207 0.284 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.913 10.093 0.471 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.460 11.223 1.617 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.265 10.524 1.734 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.260 9.350 0.250 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.497 10.260 2.875 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.016 9.094 1.401 1.00 0.00 C ATOM 727 CH2 TRP A 45 -0.675 9.521 2.679 1.00 0.00 C ATOM 0 H TRP A 45 4.355 9.601 -2.149 1.00 0.00 H new ATOM 0 HA TRP A 45 1.851 8.211 -1.700 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.614 11.019 -2.433 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.951 10.471 -2.370 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.709 11.673 -0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.977 11.666 2.376 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.555 9.004 -0.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.793 10.608 3.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.927 8.525 1.288 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.312 9.283 3.518 1.00 0.00 H new ATOM 738 N SER A 46 2.647 9.288 -4.723 1.00 0.00 N ATOM 739 CA SER A 46 2.416 9.066 -6.141 1.00 0.00 C ATOM 740 C SER A 46 2.640 7.592 -6.483 1.00 0.00 C ATOM 741 O SER A 46 2.132 7.100 -7.490 1.00 0.00 O ATOM 742 CB SER A 46 3.325 9.953 -6.992 1.00 0.00 C ATOM 743 OG SER A 46 2.582 10.877 -7.783 1.00 0.00 O ATOM 0 H SER A 46 3.284 10.055 -4.509 1.00 0.00 H new ATOM 0 HA SER A 46 1.383 9.331 -6.365 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.009 10.500 -6.343 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.935 9.327 -7.643 1.00 0.00 H new ATOM 0 HG SER A 46 3.199 11.426 -8.311 1.00 0.00 H new ATOM 749 N ALA A 47 3.401 6.927 -5.626 1.00 0.00 N ATOM 750 CA ALA A 47 3.699 5.519 -5.825 1.00 0.00 C ATOM 751 C ALA A 47 2.542 4.676 -5.285 1.00 0.00 C ATOM 752 O ALA A 47 2.250 3.605 -5.814 1.00 0.00 O ATOM 753 CB ALA A 47 5.031 5.179 -5.154 1.00 0.00 C ATOM 0 H ALA A 47 3.820 7.338 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 47 3.803 5.295 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.254 4.123 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.825 5.783 -5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.964 5.388 -4.086 1.00 0.00 H new ATOM 759 N PHE A 48 1.914 5.192 -4.239 1.00 0.00 N ATOM 760 CA PHE A 48 0.795 4.501 -3.622 1.00 0.00 C ATOM 761 C PHE A 48 -0.145 3.923 -4.682 1.00 0.00 C ATOM 762 O PHE A 48 -0.550 2.765 -4.594 1.00 0.00 O ATOM 763 CB PHE A 48 0.033 5.535 -2.790 1.00 0.00 C ATOM 764 CG PHE A 48 -0.906 4.925 -1.748 1.00 0.00 C ATOM 765 CD1 PHE A 48 -0.478 3.900 -0.964 1.00 0.00 C ATOM 766 CD2 PHE A 48 -2.169 5.409 -1.606 1.00 0.00 C ATOM 767 CE1 PHE A 48 -1.350 3.334 0.004 1.00 0.00 C ATOM 768 CE2 PHE A 48 -3.041 4.843 -0.638 1.00 0.00 C ATOM 769 CZ PHE A 48 -2.613 3.818 0.146 1.00 0.00 C ATOM 0 H PHE A 48 2.159 6.081 -3.803 1.00 0.00 H new ATOM 0 HA PHE A 48 1.160 3.676 -3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.751 6.180 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.547 6.169 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.525 3.516 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.509 6.223 -2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.010 2.520 0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.044 5.227 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.276 3.388 0.882 1.00 0.00 H new ATOM 779 N SER A 49 -0.465 4.757 -5.660 1.00 0.00 N ATOM 780 CA SER A 49 -1.350 4.344 -6.736 1.00 0.00 C ATOM 781 C SER A 49 -0.775 3.116 -7.444 1.00 0.00 C ATOM 782 O SER A 49 -1.502 2.170 -7.743 1.00 0.00 O ATOM 783 CB SER A 49 -1.568 5.481 -7.737 1.00 0.00 C ATOM 784 OG SER A 49 -0.359 5.852 -8.394 1.00 0.00 O ATOM 0 H SER A 49 -0.127 5.717 -5.730 1.00 0.00 H new ATOM 0 HA SER A 49 -2.317 4.087 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.305 5.174 -8.479 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.979 6.347 -7.218 1.00 0.00 H new ATOM 0 HG SER A 49 0.262 6.238 -7.742 1.00 0.00 H new ATOM 790 N CYS A 50 0.525 3.171 -7.693 1.00 0.00 N ATOM 791 CA CYS A 50 1.206 2.074 -8.360 1.00 0.00 C ATOM 792 C CYS A 50 0.827 0.772 -7.653 1.00 0.00 C ATOM 793 O CYS A 50 0.478 -0.213 -8.303 1.00 0.00 O ATOM 794 CB CYS A 50 2.721 2.285 -8.393 1.00 0.00 C ATOM 795 SG CYS A 50 3.262 3.841 -9.190 1.00 0.00 S ATOM 0 H CYS A 50 1.125 3.958 -7.445 1.00 0.00 H new ATOM 0 HA CYS A 50 0.889 2.026 -9.402 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.099 2.267 -7.371 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.179 1.446 -8.917 1.00 0.00 H new ATOM 0 HG CYS A 50 4.559 3.916 -9.160 1.00 0.00 H new ATOM 800 N PHE A 51 0.908 0.808 -6.331 1.00 0.00 N ATOM 801 CA PHE A 51 0.578 -0.357 -5.529 1.00 0.00 C ATOM 802 C PHE A 51 -0.908 -0.702 -5.648 1.00 0.00 C ATOM 803 O PHE A 51 -1.281 -1.874 -5.624 1.00 0.00 O ATOM 804 CB PHE A 51 0.891 -0.002 -4.074 1.00 0.00 C ATOM 805 CG PHE A 51 2.375 -0.101 -3.715 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.950 -1.319 -3.526 1.00 0.00 C ATOM 807 CD2 PHE A 51 3.120 1.030 -3.585 1.00 0.00 C ATOM 808 CE1 PHE A 51 4.327 -1.410 -3.193 1.00 0.00 C ATOM 809 CE2 PHE A 51 4.497 0.939 -3.252 1.00 0.00 C ATOM 810 CZ PHE A 51 5.072 -0.279 -3.063 1.00 0.00 C ATOM 0 H PHE A 51 1.198 1.626 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 51 1.152 -1.218 -5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.547 1.013 -3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.324 -0.664 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.359 -2.217 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.664 1.997 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.783 -2.377 -3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.088 1.837 -3.149 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.120 -0.348 -2.810 1.00 0.00 H new ATOM 820 N GLN A 52 -1.716 0.340 -5.776 1.00 0.00 N ATOM 821 CA GLN A 52 -3.153 0.162 -5.899 1.00 0.00 C ATOM 822 C GLN A 52 -3.501 -0.400 -7.279 1.00 0.00 C ATOM 823 O GLN A 52 -4.319 -1.312 -7.393 1.00 0.00 O ATOM 824 CB GLN A 52 -3.893 1.476 -5.640 1.00 0.00 C ATOM 825 CG GLN A 52 -4.137 1.681 -4.143 1.00 0.00 C ATOM 826 CD GLN A 52 -3.027 2.528 -3.518 1.00 0.00 C ATOM 827 OE1 GLN A 52 -2.305 2.096 -2.634 1.00 0.00 O ATOM 828 NE2 GLN A 52 -2.931 3.754 -4.024 1.00 0.00 N ATOM 0 H GLN A 52 -1.403 1.311 -5.797 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.477 -0.554 -5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.312 2.309 -6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.845 1.472 -6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.100 2.168 -3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.187 0.714 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.568 4.052 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.221 4.396 -3.673 1.00 0.00 H new ATOM 837 N LYS A 53 -2.863 0.167 -8.292 1.00 0.00 N ATOM 838 CA LYS A 53 -3.096 -0.266 -9.660 1.00 0.00 C ATOM 839 C LYS A 53 -2.651 -1.722 -9.811 1.00 0.00 C ATOM 840 O LYS A 53 -3.203 -2.462 -10.625 1.00 0.00 O ATOM 841 CB LYS A 53 -2.420 0.689 -10.646 1.00 0.00 C ATOM 842 CG LYS A 53 -2.576 0.192 -12.085 1.00 0.00 C ATOM 843 CD LYS A 53 -1.329 0.508 -12.912 1.00 0.00 C ATOM 844 CE LYS A 53 -1.688 0.721 -14.385 1.00 0.00 C ATOM 845 NZ LYS A 53 -0.587 0.257 -15.258 1.00 0.00 N ATOM 0 H LYS A 53 -2.185 0.922 -8.193 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.160 -0.231 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.856 1.684 -10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.362 0.781 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.754 -0.883 -12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.448 0.659 -12.542 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.844 1.402 -12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.612 -0.308 -12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.603 0.179 -14.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.885 1.777 -14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.846 0.408 -16.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.278 0.792 -15.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.418 -0.756 -15.095 1.00 0.00 H new ATOM 859 N ALA A 54 -1.658 -2.090 -9.015 1.00 0.00 N ATOM 860 CA ALA A 54 -1.134 -3.445 -9.051 1.00 0.00 C ATOM 861 C ALA A 54 -2.298 -4.438 -9.050 1.00 0.00 C ATOM 862 O ALA A 54 -2.323 -5.370 -9.853 1.00 0.00 O ATOM 863 CB ALA A 54 -0.186 -3.657 -7.868 1.00 0.00 C ATOM 0 H ALA A 54 -1.203 -1.474 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.560 -3.611 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.207 -4.673 -7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.639 -2.947 -7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.728 -3.502 -6.935 1.00 0.00 H new ATOM 869 N GLN A 55 -3.232 -4.205 -8.141 1.00 0.00 N ATOM 870 CA GLN A 55 -4.396 -5.068 -8.025 1.00 0.00 C ATOM 871 C GLN A 55 -3.974 -6.472 -7.586 1.00 0.00 C ATOM 872 O GLN A 55 -3.432 -7.238 -8.381 1.00 0.00 O ATOM 873 CB GLN A 55 -5.175 -5.116 -9.341 1.00 0.00 C ATOM 874 CG GLN A 55 -6.252 -6.202 -9.301 1.00 0.00 C ATOM 875 CD GLN A 55 -6.941 -6.342 -10.660 1.00 0.00 C ATOM 876 OE1 GLN A 55 -6.383 -6.850 -11.618 1.00 0.00 O ATOM 877 NE2 GLN A 55 -8.181 -5.863 -10.690 1.00 0.00 N ATOM 0 H GLN A 55 -3.207 -3.431 -7.477 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.057 -4.654 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.637 -4.147 -9.530 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.490 -5.308 -10.167 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.803 -7.154 -9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.991 -5.958 -8.538 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.589 -5.450 -9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.725 -5.909 -11.552 1.00 0.00 H new ATOM 886 N LEU A 56 -4.240 -6.766 -6.322 1.00 0.00 N ATOM 887 CA LEU A 56 -3.895 -8.064 -5.768 1.00 0.00 C ATOM 888 C LEU A 56 -4.877 -9.115 -6.291 1.00 0.00 C ATOM 889 O LEU A 56 -6.090 -8.922 -6.226 1.00 0.00 O ATOM 890 CB LEU A 56 -3.826 -7.994 -4.241 1.00 0.00 C ATOM 891 CG LEU A 56 -3.320 -9.253 -3.533 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.447 -10.272 -3.355 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.118 -9.849 -4.269 1.00 0.00 C ATOM 0 H LEU A 56 -4.690 -6.128 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.900 -8.365 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.180 -7.161 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.822 -7.764 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.980 -8.972 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.061 -11.157 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.245 -9.832 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.840 -10.554 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.777 -10.743 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.408 -10.112 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.311 -9.117 -4.300 1.00 0.00 H new ATOM 905 N LYS A 57 -4.315 -10.203 -6.797 1.00 0.00 N ATOM 906 CA LYS A 57 -5.126 -11.284 -7.331 1.00 0.00 C ATOM 907 C LYS A 57 -4.777 -12.584 -6.605 1.00 0.00 C ATOM 908 O LYS A 57 -3.603 -12.891 -6.403 1.00 0.00 O ATOM 909 CB LYS A 57 -4.973 -11.368 -8.851 1.00 0.00 C ATOM 910 CG LYS A 57 -6.208 -12.005 -9.492 1.00 0.00 C ATOM 911 CD LYS A 57 -7.123 -10.938 -10.097 1.00 0.00 C ATOM 912 CE LYS A 57 -7.960 -11.518 -11.239 1.00 0.00 C ATOM 913 NZ LYS A 57 -9.283 -11.955 -10.741 1.00 0.00 N ATOM 0 H LYS A 57 -3.308 -10.359 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.184 -11.092 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.820 -10.369 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.087 -11.953 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.899 -12.706 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.756 -12.578 -8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.781 -10.538 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.523 -10.106 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.088 -10.769 -12.021 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.437 -12.362 -11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.838 -12.346 -11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.155 -12.685 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.786 -11.142 -10.333 1.00 0.00 H new ATOM 927 N SER A 58 -5.818 -13.315 -6.232 1.00 0.00 N ATOM 928 CA SER A 58 -5.635 -14.575 -5.533 1.00 0.00 C ATOM 929 C SER A 58 -5.479 -15.715 -6.541 1.00 0.00 C ATOM 930 O SER A 58 -5.878 -15.585 -7.697 1.00 0.00 O ATOM 931 CB SER A 58 -6.808 -14.857 -4.591 1.00 0.00 C ATOM 932 OG SER A 58 -8.032 -14.322 -5.087 1.00 0.00 O ATOM 0 H SER A 58 -6.791 -13.058 -6.401 1.00 0.00 H new ATOM 0 HA SER A 58 -4.729 -14.504 -4.931 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.912 -15.933 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.597 -14.430 -3.611 1.00 0.00 H new ATOM 0 HG SER A 58 -8.235 -14.722 -5.958 1.00 0.00 H new ATOM 938 N ALA A 59 -4.897 -16.807 -6.066 1.00 0.00 N ATOM 939 CA ALA A 59 -4.683 -17.969 -6.912 1.00 0.00 C ATOM 940 C ALA A 59 -6.025 -18.436 -7.478 1.00 0.00 C ATOM 941 O ALA A 59 -6.064 -19.182 -8.456 1.00 0.00 O ATOM 942 CB ALA A 59 -3.976 -19.062 -6.108 1.00 0.00 C ATOM 0 H ALA A 59 -4.567 -16.911 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.040 -17.717 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.815 -19.934 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.015 -18.689 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.593 -19.343 -5.255 1.00 0.00 H new ATOM 948 N ASN A 60 -7.092 -17.980 -6.839 1.00 0.00 N ATOM 949 CA ASN A 60 -8.432 -18.342 -7.266 1.00 0.00 C ATOM 950 C ASN A 60 -8.802 -19.703 -6.673 1.00 0.00 C ATOM 951 O ASN A 60 -9.723 -19.802 -5.864 1.00 0.00 O ATOM 952 CB ASN A 60 -8.513 -18.453 -8.790 1.00 0.00 C ATOM 953 CG ASN A 60 -7.681 -17.361 -9.464 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.759 -16.190 -9.131 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.881 -17.808 -10.428 1.00 0.00 N ATOM 0 H ASN A 60 -7.055 -17.362 -6.028 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.116 -17.566 -6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.157 -19.434 -9.106 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.552 -18.373 -9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.284 -17.157 -10.938 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.864 -18.802 -10.657 1.00 0.00 H new ATOM 997 N ASN A 64 -9.585 -18.675 0.777 1.00 0.00 N ATOM 998 CA ASN A 64 -9.363 -17.294 1.170 1.00 0.00 C ATOM 999 C ASN A 64 -9.663 -16.376 -0.016 1.00 0.00 C ATOM 1000 O ASN A 64 -9.832 -15.170 0.156 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.909 -17.067 1.588 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.413 -18.203 2.486 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.371 -18.797 2.260 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -8.214 -18.469 3.513 1.00 0.00 N ATOM 0 HA ASN A 64 -10.019 -17.074 2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.279 -16.998 0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.823 -16.117 2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.971 -19.209 4.171 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.072 -17.933 3.643 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.719 -16.982 -1.193 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.995 -16.233 -2.407 1.00 0.00 C ATOM 1013 C GLU A 65 -11.028 -15.138 -2.133 1.00 0.00 C ATOM 1014 O GLU A 65 -10.969 -14.062 -2.725 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.467 -17.162 -3.528 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.749 -16.375 -4.810 1.00 0.00 C ATOM 1017 CD GLU A 65 -12.196 -15.879 -4.841 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -13.093 -16.748 -4.889 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -12.373 -14.642 -4.815 1.00 0.00 O ATOM 0 H GLU A 65 -9.578 -17.983 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.070 -15.759 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.707 -17.919 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.369 -17.688 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.068 -15.526 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.558 -17.006 -5.678 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.949 -15.450 -1.233 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.993 -14.505 -0.873 1.00 0.00 C ATOM 1028 C ARG A 66 -12.495 -13.555 0.218 1.00 0.00 C ATOM 1029 O ARG A 66 -12.673 -12.342 0.118 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.244 -15.231 -0.374 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.297 -14.235 0.115 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.911 -13.465 -1.056 1.00 0.00 C ATOM 1033 NE ARG A 66 -17.346 -13.212 -0.799 1.00 0.00 N ATOM 1034 CZ ARG A 66 -18.221 -12.830 -1.739 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -17.813 -12.655 -3.003 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -19.505 -12.623 -1.414 1.00 0.00 N ATOM 0 H ARG A 66 -11.994 -16.343 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.248 -13.936 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.660 -15.840 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.976 -15.910 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.080 -14.765 0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.843 -13.535 0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.386 -12.520 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.793 -14.034 -1.978 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.691 -13.336 0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.836 -12.813 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.479 -12.364 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.815 -12.756 -0.452 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.172 -12.332 -2.129 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.881 -14.142 1.235 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.356 -13.362 2.343 1.00 0.00 C ATOM 1052 C ILE A 67 -10.255 -12.431 1.830 1.00 0.00 C ATOM 1053 O ILE A 67 -9.854 -11.498 2.523 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.903 -14.282 3.479 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -11.384 -13.759 4.833 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.387 -14.486 3.448 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -10.990 -12.293 5.026 1.00 0.00 C ATOM 0 H ILE A 67 -11.735 -15.148 1.315 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.136 -12.730 2.767 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.362 -15.259 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.467 -13.860 4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.956 -14.363 5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.092 -15.144 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.100 -14.937 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.888 -13.523 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.344 -11.946 5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.905 -12.199 4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.440 -11.689 4.238 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.798 -12.718 0.620 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.752 -11.919 0.006 1.00 0.00 C ATOM 1071 C ILE A 68 -9.356 -10.618 -0.526 1.00 0.00 C ATOM 1072 O ILE A 68 -8.715 -9.569 -0.485 1.00 0.00 O ATOM 1073 CB ILE A 68 -8.010 -12.732 -1.057 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.619 -13.137 -0.564 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.950 -11.974 -2.384 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.706 -14.298 0.429 1.00 0.00 C ATOM 0 H ILE A 68 -10.133 -13.493 0.048 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.000 -11.643 0.745 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.568 -13.651 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.998 -13.425 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.135 -12.284 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.417 -12.574 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.962 -11.779 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.427 -11.028 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.704 -14.566 0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.307 -13.998 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.169 -15.158 -0.056 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.583 -10.729 -1.014 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.281 -9.574 -1.554 1.00 0.00 C ATOM 1090 C ASN A 69 -11.362 -8.486 -0.482 1.00 0.00 C ATOM 1091 O ASN A 69 -11.549 -7.312 -0.797 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.708 -9.937 -1.968 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.492 -8.691 -2.385 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -14.192 -8.075 -1.598 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -13.337 -8.357 -3.663 1.00 0.00 N ATOM 0 H ASN A 69 -11.112 -11.601 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.730 -9.225 -2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.681 -10.647 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.216 -10.431 -1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.820 -7.541 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.736 -8.917 -4.267 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.218 -8.914 0.763 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.273 -7.991 1.884 1.00 0.00 C ATOM 1104 C VAL A 70 -10.021 -7.111 1.875 1.00 0.00 C ATOM 1105 O VAL A 70 -10.078 -5.942 2.254 1.00 0.00 O ATOM 1106 CB VAL A 70 -11.450 -8.765 3.192 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.444 -9.915 3.017 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.106 -9.275 3.714 1.00 0.00 C ATOM 0 H VAL A 70 -11.063 -9.889 1.021 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.136 -7.331 1.794 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.858 -8.080 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.552 -10.449 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.412 -9.516 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.077 -10.600 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.261 -9.821 4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.656 -9.938 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.442 -8.430 3.896 1.00 0.00 H new ATOM 1118 N SER A 71 -8.921 -7.706 1.439 1.00 0.00 N ATOM 1119 CA SER A 71 -7.658 -6.991 1.377 1.00 0.00 C ATOM 1120 C SER A 71 -7.577 -6.184 0.079 1.00 0.00 C ATOM 1121 O SER A 71 -6.810 -5.227 -0.015 1.00 0.00 O ATOM 1122 CB SER A 71 -6.474 -7.954 1.477 1.00 0.00 C ATOM 1123 OG SER A 71 -6.753 -9.055 2.338 1.00 0.00 O ATOM 0 H SER A 71 -8.878 -8.676 1.125 1.00 0.00 H new ATOM 0 HA SER A 71 -7.609 -6.309 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.224 -8.325 0.483 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.600 -7.417 1.846 1.00 0.00 H new ATOM 0 HG SER A 71 -6.109 -9.064 3.077 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.379 -6.601 -0.890 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.408 -5.929 -2.178 1.00 0.00 C ATOM 1131 C ILE A 72 -9.114 -4.580 -2.029 1.00 0.00 C ATOM 1132 O ILE A 72 -8.502 -3.530 -2.218 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.031 -6.835 -3.241 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -8.236 -8.134 -3.389 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.178 -6.098 -4.574 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.797 -8.994 -4.523 1.00 0.00 C ATOM 0 H ILE A 72 -9.013 -7.396 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.395 -5.722 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.034 -7.107 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.189 -7.903 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.268 -8.693 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.623 -6.766 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.819 -5.227 -4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.196 -5.776 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.214 -9.911 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.837 -9.243 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.741 -8.441 -5.461 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.394 -4.652 -1.693 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.190 -3.449 -1.516 1.00 0.00 C ATOM 1150 C LYS A 73 -10.426 -2.462 -0.631 1.00 0.00 C ATOM 1151 O LYS A 73 -10.560 -1.250 -0.789 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.582 -3.801 -0.986 1.00 0.00 C ATOM 1153 CG LYS A 73 -12.494 -4.452 0.396 1.00 0.00 C ATOM 1154 CD LYS A 73 -13.884 -4.628 1.008 1.00 0.00 C ATOM 1155 CE LYS A 73 -13.828 -4.529 2.534 1.00 0.00 C ATOM 1156 NZ LYS A 73 -15.181 -4.683 3.114 1.00 0.00 N ATOM 0 H LYS A 73 -10.899 -5.524 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.354 -2.956 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.192 -2.900 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.079 -4.479 -1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.003 -5.422 0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.879 -3.837 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.557 -3.866 0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.293 -5.596 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.166 -5.299 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.408 -3.567 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.125 -4.613 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.802 -3.933 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.568 -5.611 2.850 1.00 0.00 H new ATOM 1170 N LYS A 74 -9.642 -3.019 0.280 1.00 0.00 N ATOM 1171 CA LYS A 74 -8.857 -2.202 1.190 1.00 0.00 C ATOM 1172 C LYS A 74 -7.575 -1.752 0.487 1.00 0.00 C ATOM 1173 O LYS A 74 -7.335 -0.555 0.332 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.609 -2.950 2.502 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.849 -2.913 3.397 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.134 -1.490 3.882 1.00 0.00 C ATOM 1177 CE LYS A 74 -11.388 -0.924 3.212 1.00 0.00 C ATOM 1178 NZ LYS A 74 -12.586 -1.205 4.034 1.00 0.00 N ATOM 0 H LYS A 74 -9.533 -4.025 0.408 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.405 -1.300 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.340 -3.985 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.764 -2.502 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.710 -3.293 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.703 -3.571 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.264 -1.490 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.280 -0.849 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.279 0.152 3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.508 -1.363 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.442 -0.984 3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.595 -2.210 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.563 -0.618 4.892 1.00 0.00 H new ATOM 1192 N LEU A 75 -6.784 -2.734 0.081 1.00 0.00 N ATOM 1193 CA LEU A 75 -5.532 -2.453 -0.602 1.00 0.00 C ATOM 1194 C LEU A 75 -5.763 -1.367 -1.654 1.00 0.00 C ATOM 1195 O LEU A 75 -4.864 -0.578 -1.944 1.00 0.00 O ATOM 1196 CB LEU A 75 -4.931 -3.741 -1.169 1.00 0.00 C ATOM 1197 CG LEU A 75 -3.762 -3.564 -2.141 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -2.441 -3.974 -1.488 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.016 -4.320 -3.446 1.00 0.00 C ATOM 0 H LEU A 75 -6.985 -3.725 0.212 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.793 -2.066 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.595 -4.359 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.721 -4.294 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.682 -2.506 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.626 -3.839 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.262 -3.355 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.492 -5.021 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.171 -4.178 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.136 -5.382 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.922 -3.939 -3.917 1.00 0.00 H new ATOM 1211 N LYS A 76 -6.972 -1.359 -2.196 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.332 -0.382 -3.210 1.00 0.00 C ATOM 1213 C LYS A 76 -7.631 0.958 -2.536 1.00 0.00 C ATOM 1214 O LYS A 76 -8.709 1.522 -2.718 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.480 -0.906 -4.075 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.087 -0.927 -5.553 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.252 -1.402 -6.423 1.00 0.00 C ATOM 1218 CE LYS A 76 -8.763 -1.833 -7.808 1.00 0.00 C ATOM 1219 NZ LYS A 76 -9.618 -1.248 -8.865 1.00 0.00 N ATOM 0 H LYS A 76 -7.715 -2.014 -1.952 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.499 -0.217 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.753 -1.911 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.360 -0.277 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.778 0.071 -5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.230 -1.585 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.757 -2.236 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.984 -0.601 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.730 -1.516 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.775 -2.920 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.272 -1.550 -9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.598 -1.572 -8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.585 -0.210 -8.803 1.00 0.00 H new ATOM 1233 N ARG A 77 -6.657 1.430 -1.771 1.00 0.00 N ATOM 1234 CA ARG A 77 -6.803 2.694 -1.069 1.00 0.00 C ATOM 1235 C ARG A 77 -6.202 3.833 -1.896 1.00 0.00 C ATOM 1236 O ARG A 77 -5.096 3.707 -2.421 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.117 2.648 0.297 1.00 0.00 C ATOM 1238 CG ARG A 77 -6.999 3.280 1.376 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.056 2.289 1.869 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.392 2.687 1.374 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.119 3.686 1.894 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -9.644 4.394 2.927 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -11.322 3.976 1.380 1.00 0.00 N ATOM 0 H ARG A 77 -5.764 0.960 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.869 2.870 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.896 1.614 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.164 3.175 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.380 3.604 2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.487 4.169 0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.815 1.284 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.057 2.258 2.959 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.785 2.169 0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.728 4.173 3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.198 5.154 3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.684 3.437 0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.876 4.736 1.775 1.00 0.00 H new ATOM 1257 N LYS A 78 -6.956 4.918 -1.986 1.00 0.00 N ATOM 1258 CA LYS A 78 -6.511 6.078 -2.740 1.00 0.00 C ATOM 1259 C LYS A 78 -5.870 7.087 -1.784 1.00 0.00 C ATOM 1260 O LYS A 78 -6.214 7.135 -0.604 1.00 0.00 O ATOM 1261 CB LYS A 78 -7.664 6.657 -3.562 1.00 0.00 C ATOM 1262 CG LYS A 78 -7.337 6.636 -5.056 1.00 0.00 C ATOM 1263 CD LYS A 78 -7.758 7.944 -5.729 1.00 0.00 C ATOM 1264 CE LYS A 78 -8.231 7.696 -7.162 1.00 0.00 C ATOM 1265 NZ LYS A 78 -8.145 8.941 -7.959 1.00 0.00 N ATOM 0 H LYS A 78 -7.872 5.019 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.747 5.792 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.572 6.083 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.864 7.680 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.267 6.479 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.847 5.798 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.557 8.412 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.920 8.641 -5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.621 6.919 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.258 7.332 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.470 8.755 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.745 9.672 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.159 9.272 -7.981 1.00 0.00 H new ATOM 1279 N PRO A 79 -4.924 7.888 -2.344 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.231 8.892 -1.555 1.00 0.00 C ATOM 1281 C PRO A 79 -5.137 10.095 -1.281 1.00 0.00 C ATOM 1282 O PRO A 79 -6.124 10.306 -1.984 1.00 0.00 O ATOM 1283 CB PRO A 79 -2.999 9.250 -2.369 1.00 0.00 C ATOM 1284 CG PRO A 79 -3.284 8.782 -3.786 1.00 0.00 C ATOM 1285 CD PRO A 79 -4.490 7.859 -3.738 1.00 0.00 C ATOM 0 HA PRO A 79 -3.948 8.529 -0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.812 10.324 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.111 8.762 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.481 9.634 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.420 8.260 -4.197 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.279 8.204 -4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.228 6.848 -4.050 1.00 0.00 H new ATOM 1628 N LYS A 102 8.630 -5.415 -12.451 1.00 0.00 N ATOM 1629 CA LYS A 102 7.529 -6.116 -11.813 1.00 0.00 C ATOM 1630 C LYS A 102 8.062 -6.919 -10.625 1.00 0.00 C ATOM 1631 O LYS A 102 9.228 -7.308 -10.606 1.00 0.00 O ATOM 1632 CB LYS A 102 6.770 -6.963 -12.837 1.00 0.00 C ATOM 1633 CG LYS A 102 6.465 -6.156 -14.100 1.00 0.00 C ATOM 1634 CD LYS A 102 5.298 -5.195 -13.868 1.00 0.00 C ATOM 1635 CE LYS A 102 5.788 -3.749 -13.772 1.00 0.00 C ATOM 1636 NZ LYS A 102 4.975 -2.867 -14.639 1.00 0.00 N ATOM 0 HA LYS A 102 6.802 -5.406 -11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.361 -7.841 -13.097 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.840 -7.323 -12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.350 -5.594 -14.399 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.226 -6.833 -14.920 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.580 -5.286 -14.683 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.775 -5.467 -12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.730 -3.407 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.836 -3.694 -14.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.321 -1.889 -14.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.052 -3.184 -15.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.980 -2.907 -14.339 1.00 0.00 H new ATOM 1650 N LYS A 103 7.180 -7.143 -9.661 1.00 0.00 N ATOM 1651 CA LYS A 103 7.547 -7.892 -8.471 1.00 0.00 C ATOM 1652 C LYS A 103 6.401 -8.832 -8.091 1.00 0.00 C ATOM 1653 O LYS A 103 5.287 -8.692 -8.594 1.00 0.00 O ATOM 1654 CB LYS A 103 7.962 -6.942 -7.346 1.00 0.00 C ATOM 1655 CG LYS A 103 9.476 -6.727 -7.340 1.00 0.00 C ATOM 1656 CD LYS A 103 10.089 -7.178 -6.012 1.00 0.00 C ATOM 1657 CE LYS A 103 11.417 -6.466 -5.751 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.331 -6.633 -6.904 1.00 0.00 N ATOM 0 H LYS A 103 6.213 -6.819 -9.680 1.00 0.00 H new ATOM 0 HA LYS A 103 8.419 -8.516 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.456 -5.985 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.645 -7.349 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.929 -7.283 -8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.698 -5.673 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.395 -6.970 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.248 -8.256 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.239 -5.406 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.881 -6.868 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.300 -6.389 -6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.304 -7.621 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.032 -6.006 -7.678 1.00 0.00 H new ATOM 1672 N PRO A 104 6.722 -9.792 -7.184 1.00 0.00 N ATOM 1673 CA PRO A 104 5.731 -10.755 -6.731 1.00 0.00 C ATOM 1674 C PRO A 104 4.748 -10.110 -5.753 1.00 0.00 C ATOM 1675 O PRO A 104 4.922 -8.957 -5.361 1.00 0.00 O ATOM 1676 CB PRO A 104 6.536 -11.883 -6.107 1.00 0.00 C ATOM 1677 CG PRO A 104 7.911 -11.303 -5.816 1.00 0.00 C ATOM 1678 CD PRO A 104 8.030 -9.987 -6.567 1.00 0.00 C ATOM 0 HA PRO A 104 5.107 -11.130 -7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.062 -12.242 -5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.606 -12.734 -6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.040 -11.144 -4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.692 -11.995 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.276 -9.167 -5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.819 -10.029 -7.317 1.00 0.00 H new ATOM 1686 N PRO A 105 3.708 -10.902 -5.377 1.00 0.00 N ATOM 1687 CA PRO A 105 2.697 -10.421 -4.451 1.00 0.00 C ATOM 1688 C PRO A 105 3.235 -10.388 -3.019 1.00 0.00 C ATOM 1689 O PRO A 105 2.948 -9.458 -2.266 1.00 0.00 O ATOM 1690 CB PRO A 105 1.523 -11.371 -4.623 1.00 0.00 C ATOM 1691 CG PRO A 105 2.087 -12.615 -5.290 1.00 0.00 C ATOM 1692 CD PRO A 105 3.470 -12.272 -5.820 1.00 0.00 C ATOM 0 HA PRO A 105 2.395 -9.394 -4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.073 -11.614 -3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.742 -10.920 -5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.144 -13.438 -4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.437 -12.941 -6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.225 -12.952 -5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.508 -12.349 -6.907 1.00 0.00 H new ATOM 1700 N LYS A 106 4.005 -11.413 -2.687 1.00 0.00 N ATOM 1701 CA LYS A 106 4.586 -11.513 -1.359 1.00 0.00 C ATOM 1702 C LYS A 106 5.301 -10.203 -1.019 1.00 0.00 C ATOM 1703 O LYS A 106 5.114 -9.653 0.065 1.00 0.00 O ATOM 1704 CB LYS A 106 5.483 -12.748 -1.258 1.00 0.00 C ATOM 1705 CG LYS A 106 6.362 -12.890 -2.502 1.00 0.00 C ATOM 1706 CD LYS A 106 7.846 -12.876 -2.131 1.00 0.00 C ATOM 1707 CE LYS A 106 8.669 -13.688 -3.132 1.00 0.00 C ATOM 1708 NZ LYS A 106 9.568 -14.627 -2.424 1.00 0.00 N ATOM 0 H LYS A 106 4.240 -12.182 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 106 3.805 -11.653 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.112 -12.674 -0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.868 -13.640 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.121 -13.820 -3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.150 -12.077 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.208 -11.848 -2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.978 -13.285 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.004 -14.242 -3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.256 -13.016 -3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.119 -15.170 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.215 -14.092 -1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.002 -15.279 -1.845 1.00 0.00 H new ATOM 1722 N GLU A 107 6.105 -9.743 -1.967 1.00 0.00 N ATOM 1723 CA GLU A 107 6.848 -8.508 -1.782 1.00 0.00 C ATOM 1724 C GLU A 107 5.928 -7.301 -1.970 1.00 0.00 C ATOM 1725 O GLU A 107 5.765 -6.492 -1.057 1.00 0.00 O ATOM 1726 CB GLU A 107 8.043 -8.440 -2.735 1.00 0.00 C ATOM 1727 CG GLU A 107 9.232 -7.738 -2.075 1.00 0.00 C ATOM 1728 CD GLU A 107 9.076 -6.218 -2.142 1.00 0.00 C ATOM 1729 OE1 GLU A 107 8.352 -5.761 -3.052 1.00 0.00 O ATOM 1730 OE2 GLU A 107 9.685 -5.547 -1.281 1.00 0.00 O ATOM 0 H GLU A 107 6.258 -10.203 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 107 7.235 -8.489 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.332 -9.448 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.759 -7.907 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.314 -8.053 -1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.156 -8.035 -2.572 1.00 0.00 H new ATOM 1737 N PHE A 108 5.350 -7.216 -3.159 1.00 0.00 N ATOM 1738 CA PHE A 108 4.450 -6.121 -3.478 1.00 0.00 C ATOM 1739 C PHE A 108 3.600 -5.739 -2.265 1.00 0.00 C ATOM 1740 O PHE A 108 3.261 -4.571 -2.083 1.00 0.00 O ATOM 1741 CB PHE A 108 3.530 -6.610 -4.597 1.00 0.00 C ATOM 1742 CG PHE A 108 2.175 -5.900 -4.644 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.120 -4.542 -4.691 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.026 -6.627 -4.637 1.00 0.00 C ATOM 1745 CE1 PHE A 108 0.863 -3.883 -4.734 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.232 -5.969 -4.680 1.00 0.00 C ATOM 1747 CZ PHE A 108 -0.287 -4.611 -4.728 1.00 0.00 C ATOM 0 H PHE A 108 5.488 -7.888 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 108 5.023 -5.243 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.034 -6.473 -5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.364 -7.680 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.033 -3.965 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.070 -7.705 -4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.819 -2.805 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.144 -6.547 -4.675 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.243 -4.110 -4.761 1.00 0.00 H new ATOM 1757 N LEU A 109 3.280 -6.746 -1.466 1.00 0.00 N ATOM 1758 CA LEU A 109 2.476 -6.531 -0.275 1.00 0.00 C ATOM 1759 C LEU A 109 3.387 -6.116 0.882 1.00 0.00 C ATOM 1760 O LEU A 109 3.158 -5.090 1.521 1.00 0.00 O ATOM 1761 CB LEU A 109 1.622 -7.764 0.026 1.00 0.00 C ATOM 1762 CG LEU A 109 0.254 -7.816 -0.658 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.454 -6.462 -0.572 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.381 -8.306 -2.102 1.00 0.00 C ATOM 0 H LEU A 109 3.563 -7.714 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 109 1.771 -5.715 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.185 -8.651 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.470 -7.822 1.104 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.366 -8.538 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.424 -6.526 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.597 -6.192 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.153 -5.702 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.605 -8.334 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.025 -7.628 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.814 -9.306 -2.110 1.00 0.00 H new ATOM 1776 N GLU A 110 4.401 -6.936 1.118 1.00 0.00 N ATOM 1777 CA GLU A 110 5.347 -6.668 2.187 1.00 0.00 C ATOM 1778 C GLU A 110 5.966 -5.279 2.012 1.00 0.00 C ATOM 1779 O GLU A 110 6.441 -4.682 2.977 1.00 0.00 O ATOM 1780 CB GLU A 110 6.430 -7.747 2.245 1.00 0.00 C ATOM 1781 CG GLU A 110 7.682 -7.310 1.482 1.00 0.00 C ATOM 1782 CD GLU A 110 8.700 -8.449 1.399 1.00 0.00 C ATOM 1783 OE1 GLU A 110 8.315 -9.517 0.876 1.00 0.00 O ATOM 1784 OE2 GLU A 110 9.840 -8.225 1.861 1.00 0.00 O ATOM 0 H GLU A 110 4.588 -7.786 0.587 1.00 0.00 H new ATOM 0 HA GLU A 110 4.809 -6.689 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.687 -7.954 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.047 -8.675 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.406 -6.990 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.133 -6.450 1.978 1.00 0.00 H new ATOM 1791 N ARG A 111 5.940 -4.807 0.775 1.00 0.00 N ATOM 1792 CA ARG A 111 6.493 -3.500 0.461 1.00 0.00 C ATOM 1793 C ARG A 111 5.422 -2.419 0.623 1.00 0.00 C ATOM 1794 O ARG A 111 5.646 -1.414 1.297 1.00 0.00 O ATOM 1795 CB ARG A 111 7.037 -3.460 -0.968 1.00 0.00 C ATOM 1796 CG ARG A 111 7.902 -2.218 -1.191 1.00 0.00 C ATOM 1797 CD ARG A 111 9.279 -2.386 -0.546 1.00 0.00 C ATOM 1798 NE ARG A 111 10.335 -2.305 -1.579 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.638 -2.508 -1.338 1.00 0.00 C ATOM 1800 NH1 ARG A 111 12.052 -2.804 -0.099 1.00 0.00 N ATOM 1801 NH2 ARG A 111 12.526 -2.414 -2.337 1.00 0.00 N ATOM 0 H ARG A 111 5.545 -5.306 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 111 7.313 -3.311 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.625 -4.357 -1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.209 -3.463 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.017 -2.037 -2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.404 -1.344 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.434 -1.612 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.334 -3.346 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 111 10.054 -2.081 -2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.376 -2.875 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 111 13.043 -2.958 0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.210 -2.188 -3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.518 -2.568 -2.154 1.00 0.00 H new ATOM 1815 N PHE A 112 4.282 -2.661 -0.008 1.00 0.00 N ATOM 1816 CA PHE A 112 3.177 -1.720 0.057 1.00 0.00 C ATOM 1817 C PHE A 112 2.822 -1.390 1.508 1.00 0.00 C ATOM 1818 O PHE A 112 2.640 -0.225 1.857 1.00 0.00 O ATOM 1819 CB PHE A 112 1.976 -2.395 -0.609 1.00 0.00 C ATOM 1820 CG PHE A 112 0.670 -1.607 -0.482 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.603 -0.325 -0.931 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.423 -2.189 0.081 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.609 0.406 -0.813 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.634 -1.458 0.200 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.702 -0.176 -0.250 1.00 0.00 C ATOM 0 H PHE A 112 4.100 -3.495 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 112 3.450 -0.790 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.197 -2.545 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.837 -3.382 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.471 0.137 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.369 -3.207 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.663 1.424 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.502 -1.920 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.624 0.380 -0.160 1.00 0.00 H new ATOM 1835 N LYS A 113 2.735 -2.438 2.315 1.00 0.00 N ATOM 1836 CA LYS A 113 2.405 -2.274 3.721 1.00 0.00 C ATOM 1837 C LYS A 113 3.502 -1.455 4.405 1.00 0.00 C ATOM 1838 O LYS A 113 3.211 -0.571 5.209 1.00 0.00 O ATOM 1839 CB LYS A 113 2.155 -3.635 4.374 1.00 0.00 C ATOM 1840 CG LYS A 113 2.225 -3.532 5.899 1.00 0.00 C ATOM 1841 CD LYS A 113 3.384 -4.364 6.452 1.00 0.00 C ATOM 1842 CE LYS A 113 4.442 -3.468 7.100 1.00 0.00 C ATOM 1843 NZ LYS A 113 5.403 -4.281 7.877 1.00 0.00 N ATOM 0 H LYS A 113 2.887 -3.403 2.022 1.00 0.00 H new ATOM 0 HA LYS A 113 1.475 -1.717 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.176 -4.011 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.894 -4.354 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.349 -2.489 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.286 -3.875 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.007 -5.077 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.837 -4.944 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.971 -2.905 6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.960 -2.740 7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.114 -3.658 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.896 -4.799 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.875 -4.958 7.245 1.00 0.00 H new ATOM 1857 N SER A 114 4.740 -1.780 4.062 1.00 0.00 N ATOM 1858 CA SER A 114 5.881 -1.086 4.634 1.00 0.00 C ATOM 1859 C SER A 114 5.837 0.395 4.253 1.00 0.00 C ATOM 1860 O SER A 114 5.912 1.265 5.120 1.00 0.00 O ATOM 1861 CB SER A 114 7.197 -1.714 4.170 1.00 0.00 C ATOM 1862 OG SER A 114 8.246 -1.514 5.113 1.00 0.00 O ATOM 0 H SER A 114 4.978 -2.515 3.395 1.00 0.00 H new ATOM 0 HA SER A 114 5.828 -1.178 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.052 -2.782 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.485 -1.284 3.211 1.00 0.00 H new ATOM 0 HG SER A 114 9.068 -1.931 4.781 1.00 0.00 H new ATOM 1868 N LEU A 115 5.715 0.637 2.956 1.00 0.00 N ATOM 1869 CA LEU A 115 5.660 1.998 2.451 1.00 0.00 C ATOM 1870 C LEU A 115 4.423 2.698 3.016 1.00 0.00 C ATOM 1871 O LEU A 115 4.467 3.887 3.329 1.00 0.00 O ATOM 1872 CB LEU A 115 5.726 2.005 0.922 1.00 0.00 C ATOM 1873 CG LEU A 115 5.950 3.369 0.266 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.880 4.370 0.704 1.00 0.00 C ATOM 1875 CD2 LEU A 115 7.364 3.884 0.542 1.00 0.00 C ATOM 0 H LEU A 115 5.653 -0.087 2.240 1.00 0.00 H new ATOM 0 HA LEU A 115 6.528 2.564 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.529 1.338 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.796 1.587 0.536 1.00 0.00 H new ATOM 0 HG LEU A 115 5.856 3.249 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.062 5.331 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.896 4.001 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.918 4.493 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.497 4.855 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.511 3.985 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.093 3.179 0.141 1.00 0.00 H new ATOM 1887 N LEU A 116 3.349 1.931 3.130 1.00 0.00 N ATOM 1888 CA LEU A 116 2.102 2.463 3.652 1.00 0.00 C ATOM 1889 C LEU A 116 2.264 2.761 5.144 1.00 0.00 C ATOM 1890 O LEU A 116 1.649 3.690 5.666 1.00 0.00 O ATOM 1891 CB LEU A 116 0.942 1.516 3.337 1.00 0.00 C ATOM 1892 CG LEU A 116 -0.309 1.677 4.204 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.138 0.972 5.551 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.674 3.153 4.371 1.00 0.00 C ATOM 0 H LEU A 116 3.317 0.945 2.870 1.00 0.00 H new ATOM 0 HA LEU A 116 1.856 3.406 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.658 1.656 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.299 0.491 3.435 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.143 1.195 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.041 1.102 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.038 -0.091 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.712 1.402 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.566 3.239 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.152 3.680 4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.868 3.593 3.393 1.00 0.00 H new ATOM 1906 N GLN A 117 3.096 1.956 5.788 1.00 0.00 N ATOM 1907 CA GLN A 117 3.348 2.122 7.210 1.00 0.00 C ATOM 1908 C GLN A 117 4.629 2.928 7.432 1.00 0.00 C ATOM 1909 O GLN A 117 4.994 3.220 8.569 1.00 0.00 O ATOM 1910 CB GLN A 117 3.424 0.766 7.915 1.00 0.00 C ATOM 1911 CG GLN A 117 4.866 0.256 7.968 1.00 0.00 C ATOM 1912 CD GLN A 117 5.504 0.555 9.326 1.00 0.00 C ATOM 1913 OE1 GLN A 117 5.031 1.374 10.096 1.00 0.00 O ATOM 1914 NE2 GLN A 117 6.601 -0.154 9.576 1.00 0.00 N ATOM 0 H GLN A 117 3.604 1.187 5.352 1.00 0.00 H new ATOM 0 HA GLN A 117 2.515 2.675 7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 117 3.029 0.855 8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 117 2.798 0.044 7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.883 -0.818 7.783 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.451 0.725 7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.943 -0.824 8.887 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.100 -0.028 10.457 1.00 0.00 H new ATOM 1923 N LYS A 118 5.277 3.266 6.326 1.00 0.00 N ATOM 1924 CA LYS A 118 6.509 4.033 6.385 1.00 0.00 C ATOM 1925 C LYS A 118 6.187 5.520 6.229 1.00 0.00 C ATOM 1926 O LYS A 118 6.276 6.282 7.191 1.00 0.00 O ATOM 1927 CB LYS A 118 7.516 3.510 5.358 1.00 0.00 C ATOM 1928 CG LYS A 118 8.853 4.244 5.478 1.00 0.00 C ATOM 1929 CD LYS A 118 9.593 4.256 4.139 1.00 0.00 C ATOM 1930 CE LYS A 118 11.088 4.512 4.341 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.703 5.010 3.091 1.00 0.00 N ATOM 0 H LYS A 118 4.971 3.022 5.384 1.00 0.00 H new ATOM 0 HA LYS A 118 6.988 3.911 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.669 2.441 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.115 3.639 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.682 5.267 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.471 3.761 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.449 3.302 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.172 5.027 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.234 5.239 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.581 3.592 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.717 5.178 3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.581 4.303 2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.244 5.899 2.809 1.00 0.00 H new ATOM 1945 N MET A 119 5.821 5.889 5.011 1.00 0.00 N ATOM 1946 CA MET A 119 5.485 7.271 4.716 1.00 0.00 C ATOM 1947 C MET A 119 4.056 7.595 5.157 1.00 0.00 C ATOM 1948 O MET A 119 3.851 8.342 6.112 1.00 0.00 O ATOM 1949 CB MET A 119 5.625 7.522 3.213 1.00 0.00 C ATOM 1950 CG MET A 119 6.215 8.907 2.941 1.00 0.00 C ATOM 1951 SD MET A 119 5.334 10.142 3.882 1.00 0.00 S ATOM 1952 CE MET A 119 6.628 11.353 4.091 1.00 0.00 C ATOM 0 H MET A 119 5.750 5.254 4.216 1.00 0.00 H new ATOM 0 HA MET A 119 6.170 7.916 5.266 1.00 0.00 H new ATOM 0 HB2 MET A 119 6.264 6.757 2.771 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.649 7.438 2.734 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.272 8.920 3.208 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.152 9.135 1.877 1.00 0.00 H new ATOM 0 HE1 MET A 119 6.246 12.199 4.662 1.00 0.00 H new ATOM 0 HE2 MET A 119 7.465 10.903 4.625 1.00 0.00 H new ATOM 0 HE3 MET A 119 6.965 11.698 3.113 1.00 0.00 H new ATOM 1962 N ILE A 120 3.104 7.016 4.440 1.00 0.00 N ATOM 1963 CA ILE A 120 1.700 7.233 4.745 1.00 0.00 C ATOM 1964 C ILE A 120 1.522 7.334 6.261 1.00 0.00 C ATOM 1965 O ILE A 120 1.005 8.331 6.764 1.00 0.00 O ATOM 1966 CB ILE A 120 0.837 6.149 4.095 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.581 6.464 2.620 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.465 5.947 4.873 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.848 6.993 1.944 1.00 0.00 C ATOM 0 H ILE A 120 3.278 6.397 3.648 1.00 0.00 H new ATOM 0 HA ILE A 120 1.359 8.177 4.320 1.00 0.00 H new ATOM 0 HB ILE A 120 1.384 5.207 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 120 0.239 5.565 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.216 7.203 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.060 5.172 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.235 5.645 5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.028 6.880 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.638 7.209 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.174 7.905 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.636 6.242 2.009 1.00 0.00 H new ATOM 1981 N HIS A 121 1.960 6.289 6.947 1.00 0.00 N ATOM 1982 CA HIS A 121 1.856 6.248 8.396 1.00 0.00 C ATOM 1983 C HIS A 121 2.192 7.624 8.974 1.00 0.00 C ATOM 1984 O HIS A 121 1.445 8.156 9.793 1.00 0.00 O ATOM 1985 CB HIS A 121 2.730 5.132 8.972 1.00 0.00 C ATOM 1986 CG HIS A 121 2.038 4.285 10.013 1.00 0.00 C ATOM 1987 ND1 HIS A 121 0.993 3.429 9.710 1.00 0.00 N ATOM 1988 CD2 HIS A 121 2.253 4.170 11.355 1.00 0.00 C ATOM 1989 CE1 HIS A 121 0.604 2.833 10.827 1.00 0.00 C ATOM 1990 NE2 HIS A 121 1.385 3.293 11.845 1.00 0.00 N ATOM 0 H HIS A 121 2.388 5.464 6.527 1.00 0.00 H new ATOM 0 HA HIS A 121 0.832 6.012 8.684 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.063 4.488 8.158 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.623 5.575 9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 121 3.002 4.702 11.923 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -0.193 2.109 10.916 1.00 0.00 H new ATOM 0 HE2 HIS A 121 1.314 3.010 12.822 1.00 0.00 H new ATOM 1998 N GLN A 122 3.318 8.160 8.525 1.00 0.00 N ATOM 1999 CA GLN A 122 3.762 9.463 8.988 1.00 0.00 C ATOM 2000 C GLN A 122 2.565 10.398 9.170 1.00 0.00 C ATOM 2001 O GLN A 122 2.582 11.273 10.035 1.00 0.00 O ATOM 2002 CB GLN A 122 4.787 10.066 8.025 1.00 0.00 C ATOM 2003 CG GLN A 122 5.964 9.112 7.809 1.00 0.00 C ATOM 2004 CD GLN A 122 6.418 8.493 9.132 1.00 0.00 C ATOM 2005 OE1 GLN A 122 5.780 7.613 9.687 1.00 0.00 O ATOM 2006 NE2 GLN A 122 7.553 8.999 9.605 1.00 0.00 N ATOM 0 H GLN A 122 3.935 7.715 7.846 1.00 0.00 H new ATOM 0 HA GLN A 122 4.250 9.337 9.955 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.310 10.283 7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 122 5.151 11.014 8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.675 8.323 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.794 9.651 7.352 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.037 9.735 9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 122 7.940 8.652 10.483 1.00 0.00 H new