USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 667 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00668 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.873 (180deg=0.862) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -121:sc= -0.882 (180deg=-1.84) USER MOD Single : A 48 GLN : amide:sc= -0.638 K(o=-0.64,f=0) USER MOD Single : A 51 MET CE :methyl 178:sc= -3.22 (180deg=-3.29) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -11.6! C(o=-12!,f=-8.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-3.4!) USER MOD Single : A 82 ASN : amide:sc= -5.85! K(o=-5.8!,f=-2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0263) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -4.93! C(o=-4.9!,f=-9.4!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.046 -0.888 -12.331 1.00 0.00 N ATOM 143 CA GLU A 10 -8.344 -2.160 -12.268 1.00 0.00 C ATOM 144 C GLU A 10 -9.299 -3.349 -12.227 1.00 0.00 C ATOM 145 O GLU A 10 -10.269 -3.361 -11.470 1.00 0.00 O ATOM 146 CB GLU A 10 -7.415 -2.175 -11.056 1.00 0.00 C ATOM 147 CG GLU A 10 -8.140 -1.996 -9.733 1.00 0.00 C ATOM 148 CD GLU A 10 -7.339 -1.182 -8.734 1.00 0.00 C ATOM 149 OE1 GLU A 10 -6.171 -1.540 -8.475 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.880 -0.183 -8.214 1.00 0.00 O ATOM 0 HA GLU A 10 -7.756 -2.260 -13.181 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.870 -3.119 -11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.675 -1.382 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.097 -1.506 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.358 -2.975 -9.307 1.00 0.00 H new ATOM 157 N LYS A 11 -8.999 -4.352 -13.051 1.00 0.00 N ATOM 158 CA LYS A 11 -9.808 -5.566 -13.130 1.00 0.00 C ATOM 159 C LYS A 11 -9.789 -6.317 -11.797 1.00 0.00 C ATOM 160 O LYS A 11 -9.605 -5.709 -10.744 1.00 0.00 O ATOM 161 CB LYS A 11 -9.290 -6.458 -14.263 1.00 0.00 C ATOM 162 CG LYS A 11 -9.224 -5.754 -15.608 1.00 0.00 C ATOM 163 CD LYS A 11 -8.377 -6.529 -16.604 1.00 0.00 C ATOM 164 CE LYS A 11 -7.885 -5.634 -17.730 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.988 -5.238 -18.649 1.00 0.00 N ATOM 0 H LYS A 11 -8.194 -4.346 -13.678 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.841 -5.290 -13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.296 -6.821 -14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.936 -7.332 -14.351 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.232 -5.631 -16.005 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.809 -4.755 -15.476 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.524 -6.972 -16.091 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.961 -7.350 -17.019 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.426 -4.740 -17.308 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.111 -6.154 -18.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.610 -4.628 -19.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.410 -6.089 -19.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.715 -4.719 -18.116 1.00 0.00 H new ATOM 179 N ASP A 12 -9.982 -7.637 -11.839 1.00 0.00 N ATOM 180 CA ASP A 12 -9.983 -8.442 -10.625 1.00 0.00 C ATOM 181 C ASP A 12 -9.127 -9.695 -10.788 1.00 0.00 C ATOM 182 O ASP A 12 -9.305 -10.676 -10.065 1.00 0.00 O ATOM 183 CB ASP A 12 -11.417 -8.832 -10.255 1.00 0.00 C ATOM 184 CG ASP A 12 -11.518 -9.432 -8.866 1.00 0.00 C ATOM 185 OD1 ASP A 12 -10.743 -9.011 -7.979 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.371 -10.320 -8.662 1.00 0.00 O ATOM 0 H ASP A 12 -10.138 -8.165 -12.698 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.553 -7.842 -9.823 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.056 -7.951 -10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.795 -9.548 -10.985 1.00 0.00 H new ATOM 191 N GLY A 13 -8.202 -9.660 -11.744 1.00 0.00 N ATOM 192 CA GLY A 13 -7.339 -10.803 -11.985 1.00 0.00 C ATOM 193 C GLY A 13 -5.965 -10.641 -11.360 1.00 0.00 C ATOM 194 O GLY A 13 -5.778 -9.828 -10.456 1.00 0.00 O ATOM 0 H GLY A 13 -8.035 -8.861 -12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.812 -11.701 -11.586 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.230 -10.951 -13.059 1.00 0.00 H new ATOM 198 N ALA A 14 -5.006 -11.427 -11.842 1.00 0.00 N ATOM 199 CA ALA A 14 -3.642 -11.384 -11.323 1.00 0.00 C ATOM 200 C ALA A 14 -2.945 -10.074 -11.689 1.00 0.00 C ATOM 201 O ALA A 14 -3.546 -9.188 -12.294 1.00 0.00 O ATOM 202 CB ALA A 14 -2.848 -12.576 -11.843 1.00 0.00 C ATOM 0 H ALA A 14 -5.149 -12.103 -12.593 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.692 -11.437 -10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.832 -12.535 -11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.326 -13.501 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.818 -12.546 -12.932 1.00 0.00 H new ATOM 208 N VAL A 15 -1.655 -9.984 -11.365 1.00 0.00 N ATOM 209 CA VAL A 15 -0.863 -8.810 -11.713 1.00 0.00 C ATOM 210 C VAL A 15 -0.679 -8.717 -13.221 1.00 0.00 C ATOM 211 O VAL A 15 -0.621 -9.739 -13.907 1.00 0.00 O ATOM 212 CB VAL A 15 0.516 -8.816 -11.036 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.345 -10.004 -11.498 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.250 -7.511 -11.302 1.00 0.00 C ATOM 0 H VAL A 15 -1.140 -10.708 -10.864 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.415 -7.942 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 15 0.364 -8.910 -9.961 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.316 -9.984 -11.004 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.828 -10.929 -11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.486 -9.951 -12.578 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.224 -7.536 -10.814 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.385 -7.382 -12.376 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.667 -6.679 -10.907 1.00 0.00 H new ATOM 224 N GLU A 16 -0.551 -7.505 -13.738 1.00 0.00 N ATOM 225 CA GLU A 16 -0.332 -7.304 -15.161 1.00 0.00 C ATOM 226 C GLU A 16 0.744 -6.245 -15.388 1.00 0.00 C ATOM 227 O GLU A 16 1.139 -5.542 -14.460 1.00 0.00 O ATOM 228 CB GLU A 16 -1.635 -6.914 -15.868 1.00 0.00 C ATOM 229 CG GLU A 16 -2.312 -8.078 -16.575 1.00 0.00 C ATOM 230 CD GLU A 16 -2.278 -7.945 -18.084 1.00 0.00 C ATOM 231 OE1 GLU A 16 -2.293 -6.799 -18.580 1.00 0.00 O ATOM 232 OE2 GLU A 16 -2.236 -8.987 -18.772 1.00 0.00 O ATOM 0 H GLU A 16 -0.595 -6.645 -13.192 1.00 0.00 H new ATOM 0 HA GLU A 16 0.012 -8.245 -15.590 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.324 -6.493 -15.136 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.424 -6.130 -16.595 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.823 -9.008 -16.285 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.348 -8.146 -16.244 1.00 0.00 H new ATOM 239 N ALA A 17 1.236 -6.180 -16.623 1.00 0.00 N ATOM 240 CA ALA A 17 2.309 -5.247 -16.997 1.00 0.00 C ATOM 241 C ALA A 17 2.419 -4.070 -16.018 1.00 0.00 C ATOM 242 O ALA A 17 3.355 -4.015 -15.221 1.00 0.00 O ATOM 243 CB ALA A 17 2.087 -4.737 -18.412 1.00 0.00 C ATOM 0 H ALA A 17 0.909 -6.766 -17.391 1.00 0.00 H new ATOM 0 HA ALA A 17 3.250 -5.795 -16.952 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.887 -4.047 -18.680 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.086 -5.578 -19.106 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.129 -4.220 -18.466 1.00 0.00 H new ATOM 249 N GLU A 18 1.485 -3.125 -16.085 1.00 0.00 N ATOM 250 CA GLU A 18 1.531 -1.954 -15.200 1.00 0.00 C ATOM 251 C GLU A 18 0.302 -1.879 -14.290 1.00 0.00 C ATOM 252 O GLU A 18 -0.582 -1.045 -14.487 1.00 0.00 O ATOM 253 CB GLU A 18 1.639 -0.674 -16.029 1.00 0.00 C ATOM 254 CG GLU A 18 2.914 -0.592 -16.858 1.00 0.00 C ATOM 255 CD GLU A 18 2.641 -0.590 -18.349 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.041 -1.566 -18.845 1.00 0.00 O ATOM 257 OE2 GLU A 18 3.027 0.389 -19.022 1.00 0.00 O ATOM 0 H GLU A 18 0.696 -3.141 -16.731 1.00 0.00 H new ATOM 0 HA GLU A 18 2.411 -2.056 -14.565 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.778 -0.608 -16.694 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.593 0.187 -15.362 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.459 0.313 -16.591 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.558 -1.436 -16.611 1.00 0.00 H new ATOM 264 N ASP A 19 0.245 -2.780 -13.308 1.00 0.00 N ATOM 265 CA ASP A 19 -0.883 -2.850 -12.373 1.00 0.00 C ATOM 266 C ASP A 19 -0.587 -2.188 -11.025 1.00 0.00 C ATOM 267 O ASP A 19 0.460 -1.570 -10.835 1.00 0.00 O ATOM 268 CB ASP A 19 -1.236 -4.311 -12.131 1.00 0.00 C ATOM 269 CG ASP A 19 -1.868 -4.958 -13.338 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.663 -4.450 -14.461 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.565 -5.978 -13.163 1.00 0.00 O ATOM 0 H ASP A 19 0.971 -3.476 -13.138 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.711 -2.307 -12.829 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.334 -4.859 -11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.920 -4.381 -11.285 1.00 0.00 H new ATOM 276 N ARG A 20 -1.529 -2.349 -10.085 1.00 0.00 N ATOM 277 CA ARG A 20 -1.396 -1.804 -8.734 1.00 0.00 C ATOM 278 C ARG A 20 -1.954 -2.790 -7.703 1.00 0.00 C ATOM 279 O ARG A 20 -3.159 -3.045 -7.667 1.00 0.00 O ATOM 280 CB ARG A 20 -2.136 -0.475 -8.614 1.00 0.00 C ATOM 281 CG ARG A 20 -1.284 0.743 -8.938 1.00 0.00 C ATOM 282 CD ARG A 20 -0.631 1.309 -7.688 1.00 0.00 C ATOM 283 NE ARG A 20 -0.583 2.770 -7.699 1.00 0.00 N ATOM 284 CZ ARG A 20 0.358 3.485 -7.081 1.00 0.00 C ATOM 285 NH1 ARG A 20 1.340 2.882 -6.421 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.316 4.810 -7.124 1.00 0.00 N ATOM 0 H ARG A 20 -2.399 -2.858 -10.242 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.336 -1.640 -8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.998 -0.490 -9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.521 -0.376 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.515 0.470 -9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.903 1.508 -9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.181 0.973 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.382 0.915 -7.600 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.311 3.271 -8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.379 1.863 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.055 3.437 -5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.435 5.280 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.035 5.359 -6.652 1.00 0.00 H new ATOM 300 N VAL A 21 -1.080 -3.327 -6.857 1.00 0.00 N ATOM 301 CA VAL A 21 -1.481 -4.265 -5.809 1.00 0.00 C ATOM 302 C VAL A 21 -1.744 -3.549 -4.481 1.00 0.00 C ATOM 303 O VAL A 21 -1.343 -2.400 -4.297 1.00 0.00 O ATOM 304 CB VAL A 21 -0.389 -5.325 -5.575 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.209 -6.206 -6.805 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.921 -4.652 -5.199 1.00 0.00 C ATOM 0 H VAL A 21 -0.080 -3.127 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.400 -4.741 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.703 -5.965 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.568 -6.946 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.147 -6.715 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.081 -5.589 -7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.686 -5.411 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.234 -3.989 -6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.784 -4.073 -4.286 1.00 0.00 H new ATOM 316 N THR A 22 -2.375 -4.254 -3.540 1.00 0.00 N ATOM 317 CA THR A 22 -2.635 -3.705 -2.212 1.00 0.00 C ATOM 318 C THR A 22 -1.954 -4.589 -1.178 1.00 0.00 C ATOM 319 O THR A 22 -2.292 -5.763 -1.048 1.00 0.00 O ATOM 320 CB THR A 22 -4.134 -3.633 -1.926 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.783 -2.777 -2.849 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.445 -3.136 -0.531 1.00 0.00 C ATOM 0 H THR A 22 -2.715 -5.206 -3.675 1.00 0.00 H new ATOM 0 HA THR A 22 -2.239 -2.691 -2.165 1.00 0.00 H new ATOM 0 HB THR A 22 -4.500 -4.655 -2.022 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.742 -2.747 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.525 -3.107 -0.388 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.000 -3.808 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.035 -2.135 -0.402 1.00 0.00 H new ATOM 330 N ILE A 23 -0.960 -4.053 -0.482 1.00 0.00 N ATOM 331 CA ILE A 23 -0.224 -4.856 0.483 1.00 0.00 C ATOM 332 C ILE A 23 -0.005 -4.158 1.827 1.00 0.00 C ATOM 333 O ILE A 23 0.061 -2.931 1.909 1.00 0.00 O ATOM 334 CB ILE A 23 1.144 -5.258 -0.096 1.00 0.00 C ATOM 335 CG1 ILE A 23 2.002 -4.025 -0.346 1.00 0.00 C ATOM 336 CG2 ILE A 23 0.968 -6.040 -1.384 1.00 0.00 C ATOM 337 CD1 ILE A 23 2.956 -3.745 0.782 1.00 0.00 C ATOM 0 H ILE A 23 -0.650 -3.085 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.842 -5.733 0.672 1.00 0.00 H new ATOM 0 HB ILE A 23 1.649 -5.893 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.566 -4.161 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.355 -3.160 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.946 -6.316 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.389 -6.942 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.442 -5.425 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.542 -2.856 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.394 -3.580 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.624 -4.596 0.913 1.00 0.00 H new ATOM 349 N ASP A 24 0.140 -4.977 2.869 1.00 0.00 N ATOM 350 CA ASP A 24 0.394 -4.501 4.230 1.00 0.00 C ATOM 351 C ASP A 24 1.721 -5.091 4.710 1.00 0.00 C ATOM 352 O ASP A 24 1.911 -6.305 4.645 1.00 0.00 O ATOM 353 CB ASP A 24 -0.731 -4.944 5.172 1.00 0.00 C ATOM 354 CG ASP A 24 -1.033 -6.426 5.064 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.510 -6.858 3.993 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.796 -7.154 6.050 1.00 0.00 O ATOM 0 H ASP A 24 0.084 -5.993 2.793 1.00 0.00 H new ATOM 0 HA ASP A 24 0.437 -3.412 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.454 -4.708 6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.633 -4.376 4.946 1.00 0.00 H new ATOM 361 N PHE A 25 2.650 -4.251 5.166 1.00 0.00 N ATOM 362 CA PHE A 25 3.949 -4.762 5.612 1.00 0.00 C ATOM 363 C PHE A 25 4.497 -4.026 6.823 1.00 0.00 C ATOM 364 O PHE A 25 3.992 -2.982 7.225 1.00 0.00 O ATOM 365 CB PHE A 25 4.963 -4.684 4.477 1.00 0.00 C ATOM 366 CG PHE A 25 5.345 -3.284 4.090 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.203 -2.531 4.872 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.824 -2.718 2.946 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.530 -1.234 4.511 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.138 -1.429 2.586 1.00 0.00 C ATOM 371 CZ PHE A 25 5.989 -0.684 3.364 1.00 0.00 C ATOM 0 H PHE A 25 2.535 -3.240 5.236 1.00 0.00 H new ATOM 0 HA PHE A 25 3.785 -5.798 5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.862 -5.227 4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.554 -5.192 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.621 -2.958 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.158 -3.297 2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.205 -0.655 5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.714 -1.002 1.689 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.235 0.329 3.081 1.00 0.00 H new ATOM 381 N THR A 26 5.549 -4.602 7.395 1.00 0.00 N ATOM 382 CA THR A 26 6.209 -4.031 8.567 1.00 0.00 C ATOM 383 C THR A 26 7.699 -4.367 8.568 1.00 0.00 C ATOM 384 O THR A 26 8.078 -5.535 8.652 1.00 0.00 O ATOM 385 CB THR A 26 5.565 -4.560 9.849 1.00 0.00 C ATOM 386 OG1 THR A 26 4.150 -4.475 9.779 1.00 0.00 O ATOM 387 CG2 THR A 26 6.017 -3.822 11.093 1.00 0.00 C ATOM 0 H THR A 26 5.967 -5.471 7.064 1.00 0.00 H new ATOM 0 HA THR A 26 6.093 -2.948 8.525 1.00 0.00 H new ATOM 0 HB THR A 26 5.888 -5.598 9.927 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.760 -4.820 10.609 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.523 -4.246 11.967 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.097 -3.921 11.203 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.756 -2.767 11.005 1.00 0.00 H new ATOM 395 N GLY A 27 8.546 -3.342 8.472 1.00 0.00 N ATOM 396 CA GLY A 27 9.982 -3.572 8.463 1.00 0.00 C ATOM 397 C GLY A 27 10.791 -2.353 8.869 1.00 0.00 C ATOM 398 O GLY A 27 10.264 -1.247 8.961 1.00 0.00 O ATOM 0 H GLY A 27 8.266 -2.364 8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.215 -4.395 9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.286 -3.884 7.464 1.00 0.00 H new ATOM 402 N SER A 28 12.078 -2.568 9.115 1.00 0.00 N ATOM 403 CA SER A 28 12.981 -1.490 9.519 1.00 0.00 C ATOM 404 C SER A 28 13.986 -1.160 8.419 1.00 0.00 C ATOM 405 O SER A 28 14.092 -1.876 7.425 1.00 0.00 O ATOM 406 CB SER A 28 13.729 -1.880 10.796 1.00 0.00 C ATOM 407 OG SER A 28 13.798 -3.287 10.935 1.00 0.00 O ATOM 0 H SER A 28 12.524 -3.482 9.042 1.00 0.00 H new ATOM 0 HA SER A 28 12.375 -0.603 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.736 -1.464 10.773 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.226 -1.450 11.662 1.00 0.00 H new ATOM 0 HG SER A 28 14.282 -3.511 11.757 1.00 0.00 H new ATOM 413 N VAL A 29 14.736 -0.080 8.625 1.00 0.00 N ATOM 414 CA VAL A 29 15.756 0.346 7.672 1.00 0.00 C ATOM 415 C VAL A 29 17.159 0.119 8.240 1.00 0.00 C ATOM 416 O VAL A 29 17.842 -0.825 7.843 1.00 0.00 O ATOM 417 CB VAL A 29 15.562 1.826 7.229 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.274 2.743 8.413 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.765 2.331 6.439 1.00 0.00 C ATOM 0 H VAL A 29 14.655 0.518 9.447 1.00 0.00 H new ATOM 0 HA VAL A 29 15.644 -0.270 6.780 1.00 0.00 H new ATOM 0 HB VAL A 29 14.690 1.848 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.146 3.766 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.363 2.415 8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.107 2.704 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.598 3.367 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.659 2.270 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.899 1.718 5.548 1.00 0.00 H new ATOM 429 N ASP A 30 17.584 0.962 9.171 1.00 0.00 N ATOM 430 CA ASP A 30 18.900 0.815 9.781 1.00 0.00 C ATOM 431 C ASP A 30 18.792 0.043 11.092 1.00 0.00 C ATOM 432 O ASP A 30 19.444 0.382 12.080 1.00 0.00 O ATOM 433 CB ASP A 30 19.536 2.186 10.022 1.00 0.00 C ATOM 434 CG ASP A 30 20.420 2.620 8.868 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.160 1.765 8.336 1.00 0.00 O ATOM 436 OD2 ASP A 30 20.370 3.811 8.496 1.00 0.00 O ATOM 0 H ASP A 30 17.040 1.751 9.520 1.00 0.00 H new ATOM 0 HA ASP A 30 19.537 0.255 9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.751 2.927 10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.127 2.154 10.938 1.00 0.00 H new ATOM 441 N GLY A 31 17.949 -0.987 11.094 1.00 0.00 N ATOM 442 CA GLY A 31 17.754 -1.780 12.291 1.00 0.00 C ATOM 443 C GLY A 31 16.538 -1.326 13.077 1.00 0.00 C ATOM 444 O GLY A 31 16.094 -2.009 13.999 1.00 0.00 O ATOM 0 H GLY A 31 17.399 -1.284 10.288 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.639 -2.829 12.017 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.641 -1.711 12.921 1.00 0.00 H new ATOM 448 N GLU A 32 15.999 -0.166 12.706 1.00 0.00 N ATOM 449 CA GLU A 32 14.829 0.388 13.371 1.00 0.00 C ATOM 450 C GLU A 32 13.809 0.873 12.347 1.00 0.00 C ATOM 451 O GLU A 32 14.137 1.640 11.442 1.00 0.00 O ATOM 452 CB GLU A 32 15.236 1.541 14.289 1.00 0.00 C ATOM 453 CG GLU A 32 16.290 1.161 15.315 1.00 0.00 C ATOM 454 CD GLU A 32 15.884 -0.036 16.153 1.00 0.00 C ATOM 455 OE1 GLU A 32 14.752 -0.033 16.681 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.698 -0.974 16.281 1.00 0.00 O ATOM 0 H GLU A 32 16.359 0.408 11.944 1.00 0.00 H new ATOM 0 HA GLU A 32 14.373 -0.399 13.972 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.614 2.363 13.680 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.352 1.910 14.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.227 0.941 14.803 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.477 2.012 15.970 1.00 0.00 H new ATOM 463 N GLU A 33 12.571 0.413 12.491 1.00 0.00 N ATOM 464 CA GLU A 33 11.501 0.785 11.587 1.00 0.00 C ATOM 465 C GLU A 33 11.219 2.271 11.677 1.00 0.00 C ATOM 466 O GLU A 33 10.916 2.799 12.747 1.00 0.00 O ATOM 467 CB GLU A 33 10.241 -0.025 11.892 1.00 0.00 C ATOM 468 CG GLU A 33 9.701 0.183 13.295 1.00 0.00 C ATOM 469 CD GLU A 33 8.883 -0.998 13.780 1.00 0.00 C ATOM 470 OE1 GLU A 33 9.467 -2.087 13.964 1.00 0.00 O ATOM 471 OE2 GLU A 33 7.660 -0.835 13.974 1.00 0.00 O ATOM 0 H GLU A 33 12.287 -0.224 13.235 1.00 0.00 H new ATOM 0 HA GLU A 33 11.815 0.561 10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.467 0.241 11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.458 -1.084 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.532 0.352 13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.084 1.081 13.315 1.00 0.00 H new ATOM 478 N PHE A 34 11.357 2.940 10.546 1.00 0.00 N ATOM 479 CA PHE A 34 11.159 4.386 10.451 1.00 0.00 C ATOM 480 C PHE A 34 9.682 4.754 10.289 1.00 0.00 C ATOM 481 O PHE A 34 8.818 4.208 10.975 1.00 0.00 O ATOM 482 CB PHE A 34 12.014 4.935 9.283 1.00 0.00 C ATOM 483 CG PHE A 34 11.697 4.342 7.924 1.00 0.00 C ATOM 484 CD1 PHE A 34 12.065 3.040 7.608 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.034 5.092 6.960 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.775 2.503 6.369 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.745 4.555 5.720 1.00 0.00 C ATOM 488 CZ PHE A 34 11.113 3.259 5.424 1.00 0.00 C ATOM 0 H PHE A 34 11.610 2.500 9.662 1.00 0.00 H new ATOM 0 HA PHE A 34 11.484 4.847 11.383 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.881 6.016 9.231 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.066 4.754 9.506 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.584 2.440 8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.741 6.107 7.183 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.067 1.489 6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.230 5.151 4.981 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.884 2.838 4.456 1.00 0.00 H new ATOM 498 N GLU A 35 9.406 5.659 9.370 1.00 0.00 N ATOM 499 CA GLU A 35 8.042 6.094 9.082 1.00 0.00 C ATOM 500 C GLU A 35 7.255 4.980 8.399 1.00 0.00 C ATOM 501 O GLU A 35 6.213 4.545 8.888 1.00 0.00 O ATOM 502 CB GLU A 35 8.067 7.331 8.179 1.00 0.00 C ATOM 503 CG GLU A 35 7.909 8.644 8.927 1.00 0.00 C ATOM 504 CD GLU A 35 7.851 9.839 7.995 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.811 10.022 7.327 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.847 10.589 7.930 1.00 0.00 O ATOM 0 H GLU A 35 10.117 6.117 8.799 1.00 0.00 H new ATOM 0 HA GLU A 35 7.554 6.342 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.008 7.348 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.269 7.246 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.999 8.610 9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.742 8.767 9.619 1.00 0.00 H new ATOM 513 N GLY A 36 7.771 4.525 7.259 1.00 0.00 N ATOM 514 CA GLY A 36 7.122 3.465 6.509 1.00 0.00 C ATOM 515 C GLY A 36 7.403 2.089 7.077 1.00 0.00 C ATOM 516 O GLY A 36 7.089 1.079 6.450 1.00 0.00 O ATOM 0 H GLY A 36 8.633 4.875 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.046 3.637 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.458 3.501 5.473 1.00 0.00 H new ATOM 520 N GLY A 37 7.995 2.044 8.268 1.00 0.00 N ATOM 521 CA GLY A 37 8.302 0.778 8.894 1.00 0.00 C ATOM 522 C GLY A 37 7.082 -0.109 9.078 1.00 0.00 C ATOM 523 O GLY A 37 7.213 -1.282 9.425 1.00 0.00 O ATOM 0 H GLY A 37 8.266 2.866 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.039 0.250 8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.760 0.962 9.866 1.00 0.00 H new ATOM 527 N LYS A 38 5.897 0.441 8.831 1.00 0.00 N ATOM 528 CA LYS A 38 4.662 -0.316 8.962 1.00 0.00 C ATOM 529 C LYS A 38 3.589 0.239 8.030 1.00 0.00 C ATOM 530 O LYS A 38 3.223 1.412 8.113 1.00 0.00 O ATOM 531 CB LYS A 38 4.163 -0.298 10.409 1.00 0.00 C ATOM 532 CG LYS A 38 4.047 1.097 11.000 1.00 0.00 C ATOM 533 CD LYS A 38 4.998 1.289 12.173 1.00 0.00 C ATOM 534 CE LYS A 38 6.279 1.985 11.743 1.00 0.00 C ATOM 535 NZ LYS A 38 6.352 3.384 12.250 1.00 0.00 N ATOM 0 H LYS A 38 5.769 1.410 8.539 1.00 0.00 H new ATOM 0 HA LYS A 38 4.870 -1.348 8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.188 -0.784 10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.841 -0.888 11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.263 1.838 10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.022 1.269 11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.507 1.876 12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.238 0.320 12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.138 1.422 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.341 1.990 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.208 3.844 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.512 3.911 11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.388 3.375 13.289 1.00 0.00 H new ATOM 549 N ALA A 39 3.090 -0.616 7.145 1.00 0.00 N ATOM 550 CA ALA A 39 2.056 -0.229 6.194 1.00 0.00 C ATOM 551 C ALA A 39 0.951 -1.271 6.165 1.00 0.00 C ATOM 552 O ALA A 39 1.203 -2.463 6.339 1.00 0.00 O ATOM 553 CB ALA A 39 2.646 -0.047 4.801 1.00 0.00 C ATOM 0 H ALA A 39 3.388 -1.588 7.067 1.00 0.00 H new ATOM 0 HA ALA A 39 1.633 0.723 6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.857 0.242 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.409 0.731 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.095 -0.984 4.471 1.00 0.00 H new ATOM 559 N SER A 40 -0.275 -0.821 5.949 1.00 0.00 N ATOM 560 CA SER A 40 -1.415 -1.725 5.903 1.00 0.00 C ATOM 561 C SER A 40 -2.042 -1.745 4.516 1.00 0.00 C ATOM 562 O SER A 40 -2.111 -2.787 3.867 1.00 0.00 O ATOM 563 CB SER A 40 -2.459 -1.317 6.943 1.00 0.00 C ATOM 564 OG SER A 40 -2.640 0.088 6.963 1.00 0.00 O ATOM 0 H SER A 40 -0.507 0.162 5.803 1.00 0.00 H new ATOM 0 HA SER A 40 -1.057 -2.729 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.408 -1.805 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.147 -1.660 7.929 1.00 0.00 H new ATOM 0 HG SER A 40 -3.314 0.321 7.635 1.00 0.00 H new ATOM 570 N ASP A 41 -2.456 -0.581 4.042 1.00 0.00 N ATOM 571 CA ASP A 41 -3.022 -0.440 2.717 1.00 0.00 C ATOM 572 C ASP A 41 -1.980 0.166 1.792 1.00 0.00 C ATOM 573 O ASP A 41 -2.113 1.315 1.373 1.00 0.00 O ATOM 574 CB ASP A 41 -4.277 0.437 2.755 1.00 0.00 C ATOM 575 CG ASP A 41 -5.259 -0.001 3.825 1.00 0.00 C ATOM 576 OD1 ASP A 41 -6.020 -0.960 3.577 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.268 0.615 4.912 1.00 0.00 O ATOM 0 H ASP A 41 -2.408 0.291 4.568 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.311 -1.423 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.988 1.473 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.767 0.407 1.782 1.00 0.00 H new ATOM 582 N PHE A 42 -0.950 -0.593 1.464 1.00 0.00 N ATOM 583 CA PHE A 42 0.096 -0.095 0.576 1.00 0.00 C ATOM 584 C PHE A 42 -0.253 -0.402 -0.873 1.00 0.00 C ATOM 585 O PHE A 42 -0.203 -1.555 -1.303 1.00 0.00 O ATOM 586 CB PHE A 42 1.452 -0.713 0.932 1.00 0.00 C ATOM 587 CG PHE A 42 2.629 -0.021 0.285 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.685 1.360 0.233 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.677 -0.750 -0.272 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.757 2.005 -0.356 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.748 -0.107 -0.863 1.00 0.00 C ATOM 592 CZ PHE A 42 4.789 1.271 -0.905 1.00 0.00 C ATOM 0 H PHE A 42 -0.812 -1.548 1.793 1.00 0.00 H new ATOM 0 HA PHE A 42 0.166 0.985 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.579 -0.688 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.451 -1.762 0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.881 1.942 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.652 -1.829 -0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.787 3.084 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.554 -0.684 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.626 1.774 -1.366 1.00 0.00 H new ATOM 602 N VAL A 43 -0.609 0.633 -1.622 1.00 0.00 N ATOM 603 CA VAL A 43 -0.967 0.475 -3.018 1.00 0.00 C ATOM 604 C VAL A 43 0.272 0.545 -3.901 1.00 0.00 C ATOM 605 O VAL A 43 0.743 1.627 -4.249 1.00 0.00 O ATOM 606 CB VAL A 43 -1.966 1.561 -3.450 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.476 1.296 -4.859 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.122 1.645 -2.461 1.00 0.00 C ATOM 0 H VAL A 43 -0.656 1.593 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.433 -0.503 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.450 2.521 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.181 2.077 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.637 1.293 -5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.975 0.328 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.820 2.419 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.637 0.685 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.737 1.891 -1.471 1.00 0.00 H new ATOM 618 N LEU A 44 0.805 -0.620 -4.243 1.00 0.00 N ATOM 619 CA LEU A 44 2.002 -0.704 -5.070 1.00 0.00 C ATOM 620 C LEU A 44 1.646 -0.762 -6.545 1.00 0.00 C ATOM 621 O LEU A 44 0.718 -1.461 -6.938 1.00 0.00 O ATOM 622 CB LEU A 44 2.821 -1.936 -4.690 1.00 0.00 C ATOM 623 CG LEU A 44 4.263 -1.649 -4.277 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.009 -2.947 -4.046 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.971 -0.814 -5.334 1.00 0.00 C ATOM 0 H LEU A 44 0.426 -1.523 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 44 2.595 0.194 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.319 -2.449 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.831 -2.623 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 44 4.248 -1.081 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.036 -2.729 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.517 -3.513 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.011 -3.534 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.997 -0.622 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.978 -1.355 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.447 0.133 -5.461 1.00 0.00 H new ATOM 637 N ALA A 45 2.401 -0.030 -7.357 1.00 0.00 N ATOM 638 CA ALA A 45 2.173 0.000 -8.796 1.00 0.00 C ATOM 639 C ALA A 45 3.205 -0.855 -9.523 1.00 0.00 C ATOM 640 O ALA A 45 4.360 -0.456 -9.671 1.00 0.00 O ATOM 641 CB ALA A 45 2.224 1.432 -9.308 1.00 0.00 C ATOM 0 H ALA A 45 3.178 0.551 -7.042 1.00 0.00 H new ATOM 0 HA ALA A 45 1.183 -0.411 -8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.052 1.440 -10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.453 2.023 -8.813 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.203 1.860 -9.094 1.00 0.00 H new ATOM 647 N MET A 46 2.789 -2.032 -9.978 1.00 0.00 N ATOM 648 CA MET A 46 3.691 -2.928 -10.688 1.00 0.00 C ATOM 649 C MET A 46 4.081 -2.343 -12.037 1.00 0.00 C ATOM 650 O MET A 46 3.514 -2.699 -13.069 1.00 0.00 O ATOM 651 CB MET A 46 3.055 -4.304 -10.869 1.00 0.00 C ATOM 652 CG MET A 46 3.477 -5.298 -9.800 1.00 0.00 C ATOM 653 SD MET A 46 5.128 -5.970 -10.080 1.00 0.00 S ATOM 654 CE MET A 46 4.899 -6.800 -11.652 1.00 0.00 C ATOM 0 H MET A 46 1.838 -2.385 -9.868 1.00 0.00 H new ATOM 0 HA MET A 46 4.594 -3.042 -10.088 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.970 -4.202 -10.854 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.325 -4.697 -11.849 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.449 -4.810 -8.826 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.758 -6.116 -9.767 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.130 -7.859 -11.541 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.865 -6.686 -11.976 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.563 -6.360 -12.396 1.00 0.00 H new ATOM 664 N GLY A 47 5.059 -1.444 -12.006 1.00 0.00 N ATOM 665 CA GLY A 47 5.532 -0.804 -13.219 1.00 0.00 C ATOM 666 C GLY A 47 5.049 0.627 -13.351 1.00 0.00 C ATOM 667 O GLY A 47 4.293 0.952 -14.266 1.00 0.00 O ATOM 0 H GLY A 47 5.536 -1.146 -11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.622 -0.818 -13.231 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.196 -1.378 -14.083 1.00 0.00 H new ATOM 671 N GLN A 48 5.492 1.483 -12.437 1.00 0.00 N ATOM 672 CA GLN A 48 5.108 2.891 -12.453 1.00 0.00 C ATOM 673 C GLN A 48 6.344 3.775 -12.568 1.00 0.00 C ATOM 674 O GLN A 48 6.582 4.398 -13.601 1.00 0.00 O ATOM 675 CB GLN A 48 4.327 3.243 -11.187 1.00 0.00 C ATOM 676 CG GLN A 48 3.892 4.701 -11.121 1.00 0.00 C ATOM 677 CD GLN A 48 3.656 5.174 -9.700 1.00 0.00 C ATOM 678 OE1 GLN A 48 4.581 5.613 -9.018 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.412 5.086 -9.247 1.00 0.00 N ATOM 0 H GLN A 48 6.119 1.227 -11.674 1.00 0.00 H new ATOM 0 HA GLN A 48 4.469 3.066 -13.319 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.444 2.607 -11.127 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.943 3.017 -10.316 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.655 5.326 -11.586 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.978 4.830 -11.700 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.676 4.715 -9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.192 5.389 -8.298 1.00 0.00 H new ATOM 688 N GLY A 49 7.133 3.814 -11.500 1.00 0.00 N ATOM 689 CA GLY A 49 8.343 4.611 -11.501 1.00 0.00 C ATOM 690 C GLY A 49 9.576 3.769 -11.763 1.00 0.00 C ATOM 691 O GLY A 49 10.352 4.054 -12.674 1.00 0.00 O ATOM 0 H GLY A 49 6.955 3.307 -10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.265 5.387 -12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.446 5.116 -10.540 1.00 0.00 H new ATOM 695 N ARG A 50 9.746 2.722 -10.963 1.00 0.00 N ATOM 696 CA ARG A 50 10.882 1.818 -11.103 1.00 0.00 C ATOM 697 C ARG A 50 10.829 0.727 -10.039 1.00 0.00 C ATOM 698 O ARG A 50 11.637 0.710 -9.110 1.00 0.00 O ATOM 699 CB ARG A 50 12.202 2.587 -11.001 1.00 0.00 C ATOM 700 CG ARG A 50 12.407 3.274 -9.661 1.00 0.00 C ATOM 701 CD ARG A 50 13.725 2.871 -9.018 1.00 0.00 C ATOM 702 NE ARG A 50 14.819 2.826 -9.988 1.00 0.00 N ATOM 703 CZ ARG A 50 15.585 1.758 -10.206 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.391 0.632 -9.527 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.554 1.814 -11.112 1.00 0.00 N ATOM 0 H ARG A 50 9.107 2.477 -10.206 1.00 0.00 H new ATOM 0 HA ARG A 50 10.826 1.353 -12.087 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.028 1.898 -11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.238 3.336 -11.792 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.385 4.355 -9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.584 3.021 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.972 3.577 -8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.615 1.893 -8.550 1.00 0.00 H new ATOM 0 HE ARG A 50 15.008 3.667 -10.533 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.649 0.578 -8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.984 -0.179 -9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.710 2.673 -11.639 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.142 0.998 -11.281 1.00 0.00 H new ATOM 719 N MET A 51 9.867 -0.180 -10.181 1.00 0.00 N ATOM 720 CA MET A 51 9.698 -1.274 -9.230 1.00 0.00 C ATOM 721 C MET A 51 11.021 -1.984 -8.962 1.00 0.00 C ATOM 722 O MET A 51 11.552 -2.681 -9.827 1.00 0.00 O ATOM 723 CB MET A 51 8.668 -2.277 -9.753 1.00 0.00 C ATOM 724 CG MET A 51 7.973 -3.062 -8.652 1.00 0.00 C ATOM 725 SD MET A 51 6.348 -2.396 -8.244 1.00 0.00 S ATOM 726 CE MET A 51 6.740 -0.668 -7.985 1.00 0.00 C ATOM 0 H MET A 51 9.192 -0.179 -10.946 1.00 0.00 H new ATOM 0 HA MET A 51 9.342 -0.848 -8.292 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.918 -1.744 -10.337 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.162 -2.975 -10.429 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.868 -4.101 -8.963 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.598 -3.058 -7.759 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.827 -0.118 -7.759 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.436 -0.574 -7.151 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.197 -0.259 -8.887 1.00 0.00 H new ATOM 736 N ILE A 52 11.541 -1.807 -7.752 1.00 0.00 N ATOM 737 CA ILE A 52 12.799 -2.436 -7.363 1.00 0.00 C ATOM 738 C ILE A 52 12.632 -3.945 -7.251 1.00 0.00 C ATOM 739 O ILE A 52 11.515 -4.445 -7.129 1.00 0.00 O ATOM 740 CB ILE A 52 13.338 -1.892 -6.017 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.196 -1.466 -5.089 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.287 -0.729 -6.259 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.643 -1.185 -3.671 1.00 0.00 C ATOM 0 H ILE A 52 11.112 -1.235 -7.025 1.00 0.00 H new ATOM 0 HA ILE A 52 13.520 -2.195 -8.144 1.00 0.00 H new ATOM 0 HB ILE A 52 13.884 -2.697 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.722 -0.573 -5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.439 -2.250 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.658 -0.357 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.126 -1.065 -6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.758 0.070 -6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.783 -0.889 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.091 -2.083 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.378 -0.380 -3.674 1.00 0.00 H new ATOM 755 N PRO A 53 13.745 -4.698 -7.278 1.00 0.00 N ATOM 756 CA PRO A 53 13.703 -6.158 -7.164 1.00 0.00 C ATOM 757 C PRO A 53 13.056 -6.595 -5.859 1.00 0.00 C ATOM 758 O PRO A 53 12.581 -7.721 -5.737 1.00 0.00 O ATOM 759 CB PRO A 53 15.177 -6.576 -7.199 1.00 0.00 C ATOM 760 CG PRO A 53 15.940 -5.339 -6.869 1.00 0.00 C ATOM 761 CD PRO A 53 15.122 -4.198 -7.401 1.00 0.00 C ATOM 0 HA PRO A 53 13.111 -6.615 -7.957 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.379 -7.368 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.455 -6.960 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.087 -5.246 -5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.930 -5.357 -7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.274 -3.287 -6.822 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.377 -3.965 -8.435 1.00 0.00 H new ATOM 769 N GLY A 54 13.038 -5.692 -4.886 1.00 0.00 N ATOM 770 CA GLY A 54 12.446 -5.995 -3.602 1.00 0.00 C ATOM 771 C GLY A 54 10.953 -6.218 -3.694 1.00 0.00 C ATOM 772 O GLY A 54 10.457 -7.301 -3.378 1.00 0.00 O ATOM 0 H GLY A 54 13.425 -4.752 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.919 -6.886 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.647 -5.177 -2.910 1.00 0.00 H new ATOM 776 N PHE A 55 10.229 -5.191 -4.128 1.00 0.00 N ATOM 777 CA PHE A 55 8.790 -5.289 -4.253 1.00 0.00 C ATOM 778 C PHE A 55 8.401 -6.177 -5.428 1.00 0.00 C ATOM 779 O PHE A 55 7.537 -7.046 -5.305 1.00 0.00 O ATOM 780 CB PHE A 55 8.166 -3.904 -4.435 1.00 0.00 C ATOM 781 CG PHE A 55 8.196 -3.031 -3.205 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.330 -3.258 -2.141 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.083 -1.971 -3.122 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.353 -2.447 -1.027 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.110 -1.156 -2.006 1.00 0.00 C ATOM 786 CZ PHE A 55 8.243 -1.395 -0.958 1.00 0.00 C ATOM 0 H PHE A 55 10.619 -4.287 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 55 8.412 -5.735 -3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.687 -3.389 -5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.130 -4.026 -4.752 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.631 -4.080 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.762 -1.779 -3.939 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.674 -2.635 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.808 -0.334 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.262 -0.759 -0.085 1.00 0.00 H new ATOM 796 N GLU A 56 9.043 -5.950 -6.571 1.00 0.00 N ATOM 797 CA GLU A 56 8.762 -6.726 -7.773 1.00 0.00 C ATOM 798 C GLU A 56 8.788 -8.227 -7.482 1.00 0.00 C ATOM 799 O GLU A 56 8.141 -9.012 -8.174 1.00 0.00 O ATOM 800 CB GLU A 56 9.773 -6.387 -8.871 1.00 0.00 C ATOM 801 CG GLU A 56 9.163 -6.326 -10.262 1.00 0.00 C ATOM 802 CD GLU A 56 10.213 -6.271 -11.356 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.651 -7.348 -11.812 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.597 -5.152 -11.757 1.00 0.00 O ATOM 0 H GLU A 56 9.761 -5.235 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 56 7.761 -6.464 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.235 -5.426 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.568 -7.133 -8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.529 -7.199 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.521 -5.448 -10.335 1.00 0.00 H new ATOM 811 N ASP A 57 9.534 -8.619 -6.451 1.00 0.00 N ATOM 812 CA ASP A 57 9.630 -10.025 -6.078 1.00 0.00 C ATOM 813 C ASP A 57 8.405 -10.465 -5.280 1.00 0.00 C ATOM 814 O ASP A 57 7.531 -11.158 -5.801 1.00 0.00 O ATOM 815 CB ASP A 57 10.901 -10.285 -5.263 1.00 0.00 C ATOM 816 CG ASP A 57 11.555 -11.606 -5.616 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.192 -12.631 -5.000 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.432 -11.615 -6.505 1.00 0.00 O ATOM 0 H ASP A 57 10.077 -7.986 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 57 9.674 -10.608 -6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.610 -9.475 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.656 -10.277 -4.201 1.00 0.00 H new ATOM 823 N GLY A 58 8.350 -10.069 -4.010 1.00 0.00 N ATOM 824 CA GLY A 58 7.236 -10.447 -3.164 1.00 0.00 C ATOM 825 C GLY A 58 5.921 -9.923 -3.685 1.00 0.00 C ATOM 826 O GLY A 58 4.998 -10.693 -3.955 1.00 0.00 O ATOM 0 H GLY A 58 9.058 -9.493 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.189 -11.534 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.403 -10.068 -2.156 1.00 0.00 H new ATOM 830 N ILE A 59 5.836 -8.609 -3.834 1.00 0.00 N ATOM 831 CA ILE A 59 4.646 -7.960 -4.333 1.00 0.00 C ATOM 832 C ILE A 59 4.597 -8.019 -5.843 1.00 0.00 C ATOM 833 O ILE A 59 4.169 -7.083 -6.520 1.00 0.00 O ATOM 834 CB ILE A 59 4.603 -6.504 -3.851 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.007 -6.425 -2.378 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.218 -5.929 -4.050 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.498 -6.413 -2.152 1.00 0.00 C ATOM 0 H ILE A 59 6.596 -7.967 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 59 3.774 -8.486 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 59 5.310 -5.917 -4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.576 -5.524 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.576 -7.274 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.200 -4.895 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.959 -5.962 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.496 -6.514 -3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.704 -6.356 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.935 -7.326 -2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.935 -5.549 -2.652 1.00 0.00 H new ATOM 849 N LYS A 60 4.968 -9.182 -6.334 1.00 0.00 N ATOM 850 CA LYS A 60 4.892 -9.449 -7.754 1.00 0.00 C ATOM 851 C LYS A 60 3.467 -9.082 -8.167 1.00 0.00 C ATOM 852 O LYS A 60 3.237 -8.335 -9.118 1.00 0.00 O ATOM 853 CB LYS A 60 5.222 -10.914 -8.064 1.00 0.00 C ATOM 854 CG LYS A 60 4.709 -11.914 -7.027 1.00 0.00 C ATOM 855 CD LYS A 60 5.527 -13.195 -7.049 1.00 0.00 C ATOM 856 CE LYS A 60 4.852 -14.304 -6.261 1.00 0.00 C ATOM 857 NZ LYS A 60 5.844 -15.160 -5.553 1.00 0.00 N ATOM 0 H LYS A 60 5.324 -9.956 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 60 5.623 -8.865 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.801 -11.170 -9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.304 -11.020 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.754 -11.467 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.662 -12.144 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.672 -13.517 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.516 -13.003 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.164 -13.868 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.257 -14.919 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.346 -15.906 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.485 -15.595 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.395 -14.578 -4.891 1.00 0.00 H new ATOM 871 N GLY A 61 2.523 -9.644 -7.415 1.00 0.00 N ATOM 872 CA GLY A 61 1.111 -9.430 -7.651 1.00 0.00 C ATOM 873 C GLY A 61 0.448 -10.678 -8.178 1.00 0.00 C ATOM 874 O GLY A 61 -0.299 -10.644 -9.155 1.00 0.00 O ATOM 0 H GLY A 61 2.723 -10.259 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.628 -9.123 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.979 -8.616 -8.364 1.00 0.00 H new ATOM 878 N HIS A 62 0.735 -11.795 -7.520 1.00 0.00 N ATOM 879 CA HIS A 62 0.171 -13.083 -7.932 1.00 0.00 C ATOM 880 C HIS A 62 -0.555 -13.796 -6.795 1.00 0.00 C ATOM 881 O HIS A 62 -1.358 -14.696 -7.040 1.00 0.00 O ATOM 882 CB HIS A 62 1.266 -13.993 -8.484 1.00 0.00 C ATOM 883 CG HIS A 62 2.133 -13.335 -9.505 1.00 0.00 C ATOM 884 ND1 HIS A 62 2.415 -13.899 -10.731 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.783 -12.147 -9.481 1.00 0.00 C ATOM 886 CE1 HIS A 62 3.203 -13.092 -11.417 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.440 -12.022 -10.683 1.00 0.00 N ATOM 0 H HIS A 62 1.348 -11.840 -6.706 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.562 -12.868 -8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.889 -14.339 -7.659 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.804 -14.876 -8.926 1.00 0.00 H new ATOM 0 HD1 HIS A 62 2.068 -14.801 -11.058 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.785 -11.433 -8.671 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.588 -13.276 -12.409 1.00 0.00 H new ATOM 895 N LYS A 63 -0.271 -13.415 -5.556 1.00 0.00 N ATOM 896 CA LYS A 63 -0.910 -14.058 -4.411 1.00 0.00 C ATOM 897 C LYS A 63 -1.780 -13.084 -3.630 1.00 0.00 C ATOM 898 O LYS A 63 -1.353 -12.523 -2.621 1.00 0.00 O ATOM 899 CB LYS A 63 0.143 -14.662 -3.484 1.00 0.00 C ATOM 900 CG LYS A 63 0.640 -16.024 -3.934 1.00 0.00 C ATOM 901 CD LYS A 63 -0.326 -17.123 -3.527 1.00 0.00 C ATOM 902 CE LYS A 63 -0.008 -18.436 -4.221 1.00 0.00 C ATOM 903 NZ LYS A 63 0.210 -19.540 -3.245 1.00 0.00 N ATOM 0 H LYS A 63 0.388 -12.674 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.551 -14.849 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.990 -13.979 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.275 -14.750 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.765 -16.029 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.620 -16.218 -3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.284 -17.263 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.345 -16.820 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.826 -18.700 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.883 -18.315 -4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.424 -20.419 -3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.007 -19.300 -2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.649 -19.673 -2.674 1.00 0.00 H new ATOM 917 N ALA A 64 -3.018 -12.919 -4.078 1.00 0.00 N ATOM 918 CA ALA A 64 -3.968 -12.051 -3.398 1.00 0.00 C ATOM 919 C ALA A 64 -4.210 -12.527 -1.963 1.00 0.00 C ATOM 920 O ALA A 64 -5.037 -13.410 -1.732 1.00 0.00 O ATOM 921 CB ALA A 64 -5.278 -12.002 -4.170 1.00 0.00 C ATOM 0 H ALA A 64 -3.387 -13.376 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.547 -11.046 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.981 -11.350 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.095 -11.615 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.697 -13.006 -4.239 1.00 0.00 H new ATOM 927 N GLY A 65 -3.497 -11.943 -1.004 1.00 0.00 N ATOM 928 CA GLY A 65 -3.670 -12.334 0.387 1.00 0.00 C ATOM 929 C GLY A 65 -2.531 -13.191 0.908 1.00 0.00 C ATOM 930 O GLY A 65 -2.750 -14.092 1.721 1.00 0.00 O ATOM 0 H GLY A 65 -2.806 -11.210 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.755 -11.438 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.607 -12.882 0.491 1.00 0.00 H new ATOM 934 N GLU A 66 -1.315 -12.911 0.450 1.00 0.00 N ATOM 935 CA GLU A 66 -0.140 -13.664 0.882 1.00 0.00 C ATOM 936 C GLU A 66 0.616 -12.933 1.980 1.00 0.00 C ATOM 937 O GLU A 66 0.415 -11.741 2.188 1.00 0.00 O ATOM 938 CB GLU A 66 0.799 -13.900 -0.301 1.00 0.00 C ATOM 939 CG GLU A 66 1.401 -15.295 -0.332 1.00 0.00 C ATOM 940 CD GLU A 66 2.765 -15.331 -0.992 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.590 -14.438 -0.706 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.012 -16.255 -1.794 1.00 0.00 O ATOM 0 H GLU A 66 -1.116 -12.168 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.488 -14.619 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.252 -13.729 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.605 -13.167 -0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.485 -15.672 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.727 -15.965 -0.865 1.00 0.00 H new ATOM 949 N GLU A 67 1.506 -13.653 2.656 1.00 0.00 N ATOM 950 CA GLU A 67 2.330 -13.080 3.716 1.00 0.00 C ATOM 951 C GLU A 67 3.789 -13.458 3.482 1.00 0.00 C ATOM 952 O GLU A 67 4.196 -14.591 3.737 1.00 0.00 O ATOM 953 CB GLU A 67 1.868 -13.565 5.093 1.00 0.00 C ATOM 954 CG GLU A 67 1.928 -12.487 6.165 1.00 0.00 C ATOM 955 CD GLU A 67 2.103 -13.060 7.558 1.00 0.00 C ATOM 956 OE1 GLU A 67 2.947 -13.964 7.728 1.00 0.00 O ATOM 957 OE2 GLU A 67 1.394 -12.603 8.481 1.00 0.00 O ATOM 0 H GLU A 67 1.676 -14.644 2.486 1.00 0.00 H new ATOM 0 HA GLU A 67 2.228 -11.995 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.845 -13.934 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.488 -14.407 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.754 -11.810 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.013 -11.895 6.132 1.00 0.00 H new ATOM 964 N PHE A 68 4.561 -12.515 2.954 1.00 0.00 N ATOM 965 CA PHE A 68 5.965 -12.759 2.634 1.00 0.00 C ATOM 966 C PHE A 68 6.863 -11.625 3.120 1.00 0.00 C ATOM 967 O PHE A 68 6.388 -10.550 3.478 1.00 0.00 O ATOM 968 CB PHE A 68 6.110 -12.904 1.128 1.00 0.00 C ATOM 969 CG PHE A 68 5.551 -11.721 0.412 1.00 0.00 C ATOM 970 CD1 PHE A 68 4.215 -11.682 0.058 1.00 0.00 C ATOM 971 CD2 PHE A 68 6.353 -10.638 0.121 1.00 0.00 C ATOM 972 CE1 PHE A 68 3.688 -10.581 -0.579 1.00 0.00 C ATOM 973 CE2 PHE A 68 5.834 -9.532 -0.518 1.00 0.00 C ATOM 974 CZ PHE A 68 4.497 -9.505 -0.869 1.00 0.00 C ATOM 0 H PHE A 68 4.239 -11.572 2.738 1.00 0.00 H new ATOM 0 HA PHE A 68 6.276 -13.672 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.163 -13.022 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.598 -13.807 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.578 -12.524 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.397 -10.656 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.643 -10.561 -0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.470 -8.689 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.087 -8.641 -1.370 1.00 0.00 H new ATOM 984 N THR A 69 8.168 -11.870 3.125 1.00 0.00 N ATOM 985 CA THR A 69 9.135 -10.867 3.559 1.00 0.00 C ATOM 986 C THR A 69 10.198 -10.642 2.490 1.00 0.00 C ATOM 987 O THR A 69 10.837 -11.592 2.038 1.00 0.00 O ATOM 988 CB THR A 69 9.799 -11.304 4.869 1.00 0.00 C ATOM 989 OG1 THR A 69 8.830 -11.611 5.858 1.00 0.00 O ATOM 990 CG2 THR A 69 10.727 -10.257 5.447 1.00 0.00 C ATOM 0 H THR A 69 8.582 -12.755 2.833 1.00 0.00 H new ATOM 0 HA THR A 69 8.603 -9.930 3.722 1.00 0.00 H new ATOM 0 HB THR A 69 10.383 -12.186 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.281 -11.888 6.683 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.164 -10.630 6.373 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.521 -10.040 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.165 -9.346 5.652 1.00 0.00 H new ATOM 998 N ILE A 70 10.396 -9.385 2.086 1.00 0.00 N ATOM 999 CA ILE A 70 11.397 -9.082 1.074 1.00 0.00 C ATOM 1000 C ILE A 70 12.249 -7.893 1.481 1.00 0.00 C ATOM 1001 O ILE A 70 11.900 -7.146 2.396 1.00 0.00 O ATOM 1002 CB ILE A 70 10.758 -8.798 -0.305 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.980 -7.473 -0.293 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.856 -9.949 -0.722 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.696 -7.514 0.506 1.00 0.00 C ATOM 0 H ILE A 70 9.884 -8.577 2.440 1.00 0.00 H new ATOM 0 HA ILE A 70 12.027 -9.967 0.990 1.00 0.00 H new ATOM 0 HB ILE A 70 11.561 -8.706 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.622 -6.691 0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.747 -7.193 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.415 -9.732 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.442 -10.866 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.063 -10.076 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.209 -6.540 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.032 -8.270 0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.921 -7.761 1.543 1.00 0.00 H new ATOM 1017 N ASP A 71 13.347 -7.700 0.771 1.00 0.00 N ATOM 1018 CA ASP A 71 14.230 -6.579 1.028 1.00 0.00 C ATOM 1019 C ASP A 71 13.851 -5.439 0.099 1.00 0.00 C ATOM 1020 O ASP A 71 13.412 -5.677 -1.023 1.00 0.00 O ATOM 1021 CB ASP A 71 15.690 -6.981 0.805 1.00 0.00 C ATOM 1022 CG ASP A 71 15.929 -7.547 -0.582 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.743 -6.802 -1.566 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.304 -8.734 -0.683 1.00 0.00 O ATOM 0 H ASP A 71 13.648 -8.308 0.010 1.00 0.00 H new ATOM 0 HA ASP A 71 14.124 -6.262 2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.330 -6.112 0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.978 -7.722 1.551 1.00 0.00 H new ATOM 1029 N VAL A 72 14.029 -4.207 0.545 1.00 0.00 N ATOM 1030 CA VAL A 72 13.702 -3.057 -0.292 1.00 0.00 C ATOM 1031 C VAL A 72 14.660 -1.907 -0.039 1.00 0.00 C ATOM 1032 O VAL A 72 14.910 -1.533 1.106 1.00 0.00 O ATOM 1033 CB VAL A 72 12.265 -2.557 -0.059 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.268 -3.385 -0.852 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.927 -2.567 1.420 1.00 0.00 C ATOM 0 H VAL A 72 14.393 -3.975 1.469 1.00 0.00 H new ATOM 0 HA VAL A 72 13.793 -3.398 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 72 12.201 -1.528 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.260 -3.012 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.497 -3.310 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.331 -4.427 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.907 -2.210 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.013 -3.583 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.618 -1.915 1.955 1.00 0.00 H new ATOM 1045 N THR A 73 15.175 -1.330 -1.113 1.00 0.00 N ATOM 1046 CA THR A 73 16.088 -0.204 -1.023 1.00 0.00 C ATOM 1047 C THR A 73 15.872 0.683 -2.237 1.00 0.00 C ATOM 1048 O THR A 73 15.989 0.225 -3.374 1.00 0.00 O ATOM 1049 CB THR A 73 17.540 -0.684 -0.965 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.784 -1.400 0.233 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.550 0.441 -1.039 1.00 0.00 C ATOM 0 H THR A 73 14.972 -1.628 -2.067 1.00 0.00 H new ATOM 0 HA THR A 73 15.890 0.356 -0.109 1.00 0.00 H new ATOM 0 HB THR A 73 17.666 -1.321 -1.841 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.717 -1.700 0.251 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.558 0.029 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.423 0.983 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.398 1.122 -0.202 1.00 0.00 H new ATOM 1059 N PHE A 74 15.536 1.941 -2.004 1.00 0.00 N ATOM 1060 CA PHE A 74 15.283 2.864 -3.096 1.00 0.00 C ATOM 1061 C PHE A 74 16.573 3.502 -3.603 1.00 0.00 C ATOM 1062 O PHE A 74 17.384 3.991 -2.818 1.00 0.00 O ATOM 1063 CB PHE A 74 14.283 3.917 -2.643 1.00 0.00 C ATOM 1064 CG PHE A 74 12.908 3.346 -2.462 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.674 2.329 -1.547 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.852 3.815 -3.219 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.405 1.793 -1.397 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.585 3.287 -3.073 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.360 2.275 -2.161 1.00 0.00 C ATOM 0 H PHE A 74 15.433 2.344 -1.073 1.00 0.00 H new ATOM 0 HA PHE A 74 14.860 2.310 -3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.620 4.356 -1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.247 4.722 -3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.488 1.952 -0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.020 4.606 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.233 1.000 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.770 3.665 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.369 1.861 -2.045 1.00 0.00 H new ATOM 1079 N PRO A 75 16.782 3.499 -4.932 1.00 0.00 N ATOM 1080 CA PRO A 75 17.984 4.073 -5.546 1.00 0.00 C ATOM 1081 C PRO A 75 18.043 5.590 -5.425 1.00 0.00 C ATOM 1082 O PRO A 75 17.122 6.222 -4.907 1.00 0.00 O ATOM 1083 CB PRO A 75 17.863 3.671 -7.017 1.00 0.00 C ATOM 1084 CG PRO A 75 16.406 3.459 -7.236 1.00 0.00 C ATOM 1085 CD PRO A 75 15.867 2.929 -5.940 1.00 0.00 C ATOM 0 HA PRO A 75 18.890 3.713 -5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.252 4.450 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.430 2.764 -7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.913 4.391 -7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.232 2.754 -8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.837 3.246 -5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.873 1.839 -5.918 1.00 0.00 H new ATOM 1093 N GLU A 76 19.137 6.167 -5.912 1.00 0.00 N ATOM 1094 CA GLU A 76 19.327 7.610 -5.868 1.00 0.00 C ATOM 1095 C GLU A 76 18.453 8.317 -6.903 1.00 0.00 C ATOM 1096 O GLU A 76 18.347 9.545 -6.902 1.00 0.00 O ATOM 1097 CB GLU A 76 20.799 7.960 -6.101 1.00 0.00 C ATOM 1098 CG GLU A 76 21.379 7.361 -7.372 1.00 0.00 C ATOM 1099 CD GLU A 76 22.805 6.879 -7.190 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.029 5.994 -6.337 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.699 7.386 -7.899 1.00 0.00 O ATOM 0 H GLU A 76 19.907 5.654 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 76 19.029 7.955 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.903 9.044 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.384 7.615 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.755 6.527 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.350 8.106 -8.167 1.00 0.00 H new ATOM 1108 N GLU A 77 17.822 7.542 -7.783 1.00 0.00 N ATOM 1109 CA GLU A 77 16.959 8.105 -8.814 1.00 0.00 C ATOM 1110 C GLU A 77 15.527 8.252 -8.301 1.00 0.00 C ATOM 1111 O GLU A 77 14.829 9.204 -8.650 1.00 0.00 O ATOM 1112 CB GLU A 77 16.987 7.238 -10.076 1.00 0.00 C ATOM 1113 CG GLU A 77 16.598 5.789 -9.836 1.00 0.00 C ATOM 1114 CD GLU A 77 17.471 4.818 -10.607 1.00 0.00 C ATOM 1115 OE1 GLU A 77 17.166 4.554 -11.790 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.457 4.317 -10.028 1.00 0.00 O ATOM 0 H GLU A 77 17.893 6.525 -7.801 1.00 0.00 H new ATOM 0 HA GLU A 77 17.337 9.096 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.311 7.668 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.989 7.269 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.669 5.569 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.557 5.643 -10.123 1.00 0.00 H new ATOM 1123 N TYR A 78 15.101 7.311 -7.463 1.00 0.00 N ATOM 1124 CA TYR A 78 13.756 7.347 -6.894 1.00 0.00 C ATOM 1125 C TYR A 78 13.603 8.568 -5.990 1.00 0.00 C ATOM 1126 O TYR A 78 12.908 9.524 -6.330 1.00 0.00 O ATOM 1127 CB TYR A 78 13.481 6.065 -6.100 1.00 0.00 C ATOM 1128 CG TYR A 78 12.015 5.709 -5.994 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.154 6.434 -5.175 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.493 4.644 -6.714 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.816 6.101 -5.079 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.155 4.308 -6.623 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.321 5.040 -5.806 1.00 0.00 C ATOM 1134 OH TYR A 78 7.987 4.705 -5.717 1.00 0.00 O ATOM 0 H TYR A 78 15.665 6.516 -7.163 1.00 0.00 H new ATOM 0 HA TYR A 78 13.033 7.416 -7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.012 5.238 -6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.891 6.177 -5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.537 7.269 -4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.143 4.068 -7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.161 6.670 -4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.765 3.475 -7.190 1.00 0.00 H new ATOM 0 HH TYR A 78 7.804 3.934 -6.294 1.00 0.00 H new ATOM 1144 N HIS A 79 14.280 8.525 -4.846 1.00 0.00 N ATOM 1145 CA HIS A 79 14.264 9.614 -3.874 1.00 0.00 C ATOM 1146 C HIS A 79 12.905 10.315 -3.778 1.00 0.00 C ATOM 1147 O HIS A 79 12.751 11.446 -4.235 1.00 0.00 O ATOM 1148 CB HIS A 79 15.359 10.624 -4.209 1.00 0.00 C ATOM 1149 CG HIS A 79 16.714 10.182 -3.753 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.792 11.033 -3.646 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.161 8.962 -3.367 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.843 10.361 -3.213 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.487 9.102 -3.033 1.00 0.00 N ATOM 0 H HIS A 79 14.857 7.732 -4.566 1.00 0.00 H new ATOM 0 HA HIS A 79 14.453 9.171 -2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.379 10.788 -5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.119 11.581 -3.745 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.583 8.050 -3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.826 10.771 -3.036 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.097 8.355 -2.700 1.00 0.00 H new ATOM 1161 N ALA A 80 11.932 9.642 -3.166 1.00 0.00 N ATOM 1162 CA ALA A 80 10.600 10.211 -2.992 1.00 0.00 C ATOM 1163 C ALA A 80 10.543 11.074 -1.733 1.00 0.00 C ATOM 1164 O ALA A 80 11.253 10.824 -0.761 1.00 0.00 O ATOM 1165 CB ALA A 80 9.552 9.112 -2.933 1.00 0.00 C ATOM 0 H ALA A 80 12.043 8.703 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 80 10.385 10.845 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.565 9.557 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.573 8.539 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.765 8.450 -2.093 1.00 0.00 H new ATOM 1171 N GLU A 81 9.709 12.102 -1.764 1.00 0.00 N ATOM 1172 CA GLU A 81 9.570 13.024 -0.639 1.00 0.00 C ATOM 1173 C GLU A 81 9.310 12.315 0.693 1.00 0.00 C ATOM 1174 O GLU A 81 9.631 12.855 1.753 1.00 0.00 O ATOM 1175 CB GLU A 81 8.434 14.011 -0.916 1.00 0.00 C ATOM 1176 CG GLU A 81 8.903 15.334 -1.497 1.00 0.00 C ATOM 1177 CD GLU A 81 8.107 15.749 -2.720 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.861 15.745 -2.648 1.00 0.00 O ATOM 1179 OE2 GLU A 81 8.733 16.076 -3.751 1.00 0.00 O ATOM 0 H GLU A 81 9.112 12.323 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 81 10.522 13.547 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.726 13.552 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.896 14.202 0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.823 16.110 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.957 15.256 -1.763 1.00 0.00 H new ATOM 1186 N ASN A 82 8.696 11.135 0.654 1.00 0.00 N ATOM 1187 CA ASN A 82 8.369 10.419 1.889 1.00 0.00 C ATOM 1188 C ASN A 82 9.417 9.379 2.306 1.00 0.00 C ATOM 1189 O ASN A 82 9.657 9.198 3.500 1.00 0.00 O ATOM 1190 CB ASN A 82 7.001 9.750 1.762 1.00 0.00 C ATOM 1191 CG ASN A 82 6.906 8.842 0.555 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.254 9.171 -0.436 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.555 7.689 0.635 1.00 0.00 N ATOM 0 H ASN A 82 8.418 10.658 -0.204 1.00 0.00 H new ATOM 0 HA ASN A 82 8.356 11.173 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.799 9.172 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.230 10.518 1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.526 7.033 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.083 7.458 1.477 1.00 0.00 H new ATOM 1200 N LEU A 83 10.016 8.674 1.348 1.00 0.00 N ATOM 1201 CA LEU A 83 11.002 7.641 1.692 1.00 0.00 C ATOM 1202 C LEU A 83 12.255 7.695 0.820 1.00 0.00 C ATOM 1203 O LEU A 83 13.007 6.730 0.745 1.00 0.00 O ATOM 1204 CB LEU A 83 10.356 6.248 1.617 1.00 0.00 C ATOM 1205 CG LEU A 83 10.248 5.592 0.227 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.080 6.606 -0.894 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.455 4.722 -0.043 1.00 0.00 C ATOM 0 H LEU A 83 9.845 8.791 0.349 1.00 0.00 H new ATOM 0 HA LEU A 83 11.326 7.841 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.924 5.578 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.352 6.319 2.035 1.00 0.00 H new ATOM 0 HG LEU A 83 9.348 4.978 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.010 6.085 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.171 7.184 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.939 7.277 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.362 4.267 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.358 5.332 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.516 3.940 0.714 1.00 0.00 H new ATOM 1219 N LYS A 84 12.478 8.822 0.166 1.00 0.00 N ATOM 1220 CA LYS A 84 13.643 8.996 -0.709 1.00 0.00 C ATOM 1221 C LYS A 84 14.876 8.218 -0.233 1.00 0.00 C ATOM 1222 O LYS A 84 15.329 8.372 0.900 1.00 0.00 O ATOM 1223 CB LYS A 84 13.995 10.479 -0.844 1.00 0.00 C ATOM 1224 CG LYS A 84 14.125 11.205 0.484 1.00 0.00 C ATOM 1225 CD LYS A 84 14.693 12.602 0.291 1.00 0.00 C ATOM 1226 CE LYS A 84 14.402 13.495 1.485 1.00 0.00 C ATOM 1227 NZ LYS A 84 15.571 13.592 2.402 1.00 0.00 N ATOM 0 H LYS A 84 11.869 9.639 0.220 1.00 0.00 H new ATOM 0 HA LYS A 84 13.358 8.589 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.934 10.571 -1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.228 10.971 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.148 11.269 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.771 10.635 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.770 12.539 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.268 13.047 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.130 14.491 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.544 13.104 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.333 14.210 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.815 12.645 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.383 13.989 1.888 1.00 0.00 H new ATOM 1241 N GLY A 85 15.415 7.392 -1.134 1.00 0.00 N ATOM 1242 CA GLY A 85 16.603 6.599 -0.837 1.00 0.00 C ATOM 1243 C GLY A 85 16.533 5.876 0.494 1.00 0.00 C ATOM 1244 O GLY A 85 17.424 6.019 1.332 1.00 0.00 O ATOM 0 H GLY A 85 15.045 7.258 -2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.749 5.867 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.476 7.252 -0.841 1.00 0.00 H new ATOM 1248 N LYS A 86 15.478 5.095 0.693 1.00 0.00 N ATOM 1249 CA LYS A 86 15.312 4.350 1.935 1.00 0.00 C ATOM 1250 C LYS A 86 15.742 2.891 1.799 1.00 0.00 C ATOM 1251 O LYS A 86 14.931 2.028 1.458 1.00 0.00 O ATOM 1252 CB LYS A 86 13.865 4.420 2.417 1.00 0.00 C ATOM 1253 CG LYS A 86 13.741 4.727 3.901 1.00 0.00 C ATOM 1254 CD LYS A 86 13.101 6.087 4.147 1.00 0.00 C ATOM 1255 CE LYS A 86 14.023 7.223 3.731 1.00 0.00 C ATOM 1256 NZ LYS A 86 13.629 8.516 4.359 1.00 0.00 N ATOM 0 H LYS A 86 14.728 4.961 0.014 1.00 0.00 H new ATOM 0 HA LYS A 86 15.963 4.820 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.337 5.186 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.373 3.470 2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.145 3.952 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.729 4.702 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.165 6.155 3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.853 6.187 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.048 6.980 4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.006 7.326 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.105 9.300 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.599 8.637 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.908 8.515 5.361 1.00 0.00 H new ATOM 1270 N ALA A 87 17.002 2.611 2.105 1.00 0.00 N ATOM 1271 CA ALA A 87 17.509 1.243 2.057 1.00 0.00 C ATOM 1272 C ALA A 87 17.051 0.509 3.309 1.00 0.00 C ATOM 1273 O ALA A 87 17.641 0.669 4.379 1.00 0.00 O ATOM 1274 CB ALA A 87 19.027 1.237 1.947 1.00 0.00 C ATOM 0 H ALA A 87 17.690 3.308 2.388 1.00 0.00 H new ATOM 0 HA ALA A 87 17.116 0.736 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.385 0.208 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.328 1.757 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.456 1.742 2.812 1.00 0.00 H new ATOM 1280 N ALA A 88 15.966 -0.255 3.194 1.00 0.00 N ATOM 1281 CA ALA A 88 15.417 -0.947 4.354 1.00 0.00 C ATOM 1282 C ALA A 88 15.022 -2.396 4.082 1.00 0.00 C ATOM 1283 O ALA A 88 15.281 -2.954 3.018 1.00 0.00 O ATOM 1284 CB ALA A 88 14.212 -0.170 4.869 1.00 0.00 C ATOM 0 H ALA A 88 15.458 -0.408 2.323 1.00 0.00 H new ATOM 0 HA ALA A 88 16.209 -0.988 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.794 -0.680 5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.522 0.836 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.457 -0.109 4.086 1.00 0.00 H new ATOM 1290 N LYS A 89 14.363 -2.968 5.085 1.00 0.00 N ATOM 1291 CA LYS A 89 13.862 -4.334 5.040 1.00 0.00 C ATOM 1292 C LYS A 89 12.377 -4.296 5.347 1.00 0.00 C ATOM 1293 O LYS A 89 11.962 -3.567 6.245 1.00 0.00 O ATOM 1294 CB LYS A 89 14.596 -5.211 6.060 1.00 0.00 C ATOM 1295 CG LYS A 89 15.419 -6.322 5.429 1.00 0.00 C ATOM 1296 CD LYS A 89 16.503 -6.815 6.374 1.00 0.00 C ATOM 1297 CE LYS A 89 17.607 -5.785 6.546 1.00 0.00 C ATOM 1298 NZ LYS A 89 17.822 -5.434 7.979 1.00 0.00 N ATOM 0 H LYS A 89 14.160 -2.488 5.962 1.00 0.00 H new ATOM 0 HA LYS A 89 14.033 -4.764 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.252 -4.582 6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.866 -5.652 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.766 -7.151 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.875 -5.961 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.064 -7.044 7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.927 -7.743 5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.534 -6.173 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.354 -4.885 5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.583 -4.729 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.945 -5.040 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.088 -6.288 8.509 1.00 0.00 H new ATOM 1312 N PHE A 90 11.578 -5.094 4.647 1.00 0.00 N ATOM 1313 CA PHE A 90 10.134 -5.137 4.906 1.00 0.00 C ATOM 1314 C PHE A 90 9.600 -6.560 4.911 1.00 0.00 C ATOM 1315 O PHE A 90 10.128 -7.432 4.221 1.00 0.00 O ATOM 1316 CB PHE A 90 9.327 -4.411 3.823 1.00 0.00 C ATOM 1317 CG PHE A 90 9.539 -2.934 3.676 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.321 -2.209 4.553 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.914 -2.276 2.639 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.480 -0.845 4.394 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.062 -0.911 2.473 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.849 -0.196 3.353 1.00 0.00 C ATOM 0 H PHE A 90 11.896 -5.715 3.903 1.00 0.00 H new ATOM 0 HA PHE A 90 10.017 -4.658 5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.551 -4.880 2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.269 -4.581 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.814 -2.713 5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.301 -2.834 1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.097 -0.288 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.564 -0.407 1.658 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.971 0.870 3.227 1.00 0.00 H new ATOM 1332 N ALA A 91 8.500 -6.766 5.626 1.00 0.00 N ATOM 1333 CA ALA A 91 7.822 -8.049 5.652 1.00 0.00 C ATOM 1334 C ALA A 91 6.397 -7.740 5.233 1.00 0.00 C ATOM 1335 O ALA A 91 5.634 -7.118 5.972 1.00 0.00 O ATOM 1336 CB ALA A 91 7.872 -8.679 7.038 1.00 0.00 C ATOM 0 H ALA A 91 8.057 -6.049 6.201 1.00 0.00 H new ATOM 0 HA ALA A 91 8.295 -8.774 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.355 -9.638 7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.911 -8.832 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.386 -8.018 7.756 1.00 0.00 H new ATOM 1342 N ILE A 92 6.092 -8.076 3.989 1.00 0.00 N ATOM 1343 CA ILE A 92 4.812 -7.728 3.394 1.00 0.00 C ATOM 1344 C ILE A 92 3.795 -8.861 3.314 1.00 0.00 C ATOM 1345 O ILE A 92 4.127 -10.041 3.384 1.00 0.00 O ATOM 1346 CB ILE A 92 5.054 -7.197 1.963 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.143 -6.111 1.976 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.758 -6.700 1.345 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.128 -5.182 0.780 1.00 0.00 C ATOM 0 H ILE A 92 6.717 -8.592 3.370 1.00 0.00 H new ATOM 0 HA ILE A 92 4.379 -6.981 4.059 1.00 0.00 H new ATOM 0 HB ILE A 92 5.412 -8.015 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.032 -5.516 2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.118 -6.595 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.953 -6.331 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.040 -7.518 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.350 -5.893 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.931 -4.451 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.273 -5.761 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.170 -4.665 0.733 1.00 0.00 H new ATOM 1361 N ASN A 93 2.541 -8.454 3.118 1.00 0.00 N ATOM 1362 CA ASN A 93 1.424 -9.367 2.963 1.00 0.00 C ATOM 1363 C ASN A 93 0.559 -8.896 1.789 1.00 0.00 C ATOM 1364 O ASN A 93 -0.177 -7.916 1.908 1.00 0.00 O ATOM 1365 CB ASN A 93 0.596 -9.424 4.251 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.601 -10.348 4.146 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.609 -11.438 4.715 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.623 -9.918 3.418 1.00 0.00 N ATOM 0 H ASN A 93 2.276 -7.470 3.063 1.00 0.00 H new ATOM 0 HA ASN A 93 1.798 -10.371 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.233 -9.755 5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.252 -8.420 4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.455 -10.498 3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.577 -9.007 2.962 1.00 0.00 H new ATOM 1375 N LEU A 94 0.669 -9.580 0.652 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.085 -9.211 -0.549 1.00 0.00 C ATOM 1377 C LEU A 94 -1.582 -9.367 -0.341 1.00 0.00 C ATOM 1378 O LEU A 94 -2.020 -10.188 0.462 1.00 0.00 O ATOM 1379 CB LEU A 94 0.363 -10.065 -1.737 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.034 -9.532 -3.113 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.708 -8.240 -3.419 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.252 -10.575 -4.183 1.00 0.00 C ATOM 0 H LEU A 94 1.273 -10.394 0.535 1.00 0.00 H new ATOM 0 HA LEU A 94 0.120 -8.161 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.448 -10.164 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.052 -11.066 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.103 -9.321 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.413 -7.875 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.462 -7.492 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.782 -8.426 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.035 -10.183 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.316 -10.811 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.320 -11.479 -3.972 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.366 -8.578 -1.079 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.816 -8.640 -0.976 1.00 0.00 C ATOM 1396 C LYS A 95 -4.480 -8.351 -2.328 1.00 0.00 C ATOM 1397 O LYS A 95 -4.466 -9.191 -3.224 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.325 -7.668 0.096 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.979 -8.077 1.520 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.212 -8.518 2.292 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.248 -10.027 2.475 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.109 -10.427 3.622 1.00 0.00 N ATOM 0 H LYS A 95 -2.018 -7.893 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.088 -9.653 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.909 -6.680 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.408 -7.581 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.252 -8.889 1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.507 -7.240 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.224 -8.032 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.108 -8.194 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.618 -10.495 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.235 -10.398 2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.107 -11.463 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.741 -10.002 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.081 -10.096 3.458 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.109 -7.184 -2.453 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.821 -6.840 -3.673 1.00 0.00 C ATOM 1418 C LYS A 96 -4.884 -6.492 -4.821 1.00 0.00 C ATOM 1419 O LYS A 96 -4.353 -5.382 -4.892 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.764 -5.667 -3.413 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.177 -6.086 -3.046 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.922 -4.958 -2.351 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.257 -5.427 -1.796 1.00 0.00 C ATOM 1424 NZ LYS A 96 -11.335 -4.426 -2.031 1.00 0.00 N ATOM 0 H LYS A 96 -5.138 -6.468 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.388 -7.723 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.356 -5.056 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.801 -5.038 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.717 -6.382 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.143 -6.959 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.310 -4.562 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.086 -4.142 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.532 -6.374 -2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.161 -5.614 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.230 -4.781 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.084 -3.530 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.444 -4.267 -3.053 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.719 -7.436 -5.741 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.892 -7.241 -6.922 1.00 0.00 C ATOM 1440 C VAL A 97 -4.782 -7.201 -8.164 1.00 0.00 C ATOM 1441 O VAL A 97 -5.349 -8.219 -8.560 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.848 -8.371 -7.068 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.488 -9.738 -6.843 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.168 -8.311 -8.433 1.00 0.00 C ATOM 0 H VAL A 97 -5.155 -8.357 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.358 -6.297 -6.815 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.086 -8.224 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.732 -10.516 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.911 -9.781 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.278 -9.895 -7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.438 -9.116 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.916 -8.422 -9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.664 -7.351 -8.546 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.920 -6.021 -8.764 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.764 -5.867 -9.946 1.00 0.00 C ATOM 1456 C GLU A 98 -4.979 -5.279 -11.119 1.00 0.00 C ATOM 1457 O GLU A 98 -3.751 -5.275 -11.104 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.967 -4.985 -9.608 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.816 -5.534 -8.470 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.591 -4.804 -7.160 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -6.970 -3.720 -7.180 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -8.036 -5.318 -6.113 1.00 0.00 O ATOM 0 H GLU A 98 -4.462 -5.164 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.115 -6.853 -10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.615 -3.989 -9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.589 -4.876 -10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.869 -5.464 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.592 -6.592 -8.334 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.690 -4.802 -12.145 1.00 0.00 N ATOM 1470 CA GLU A 99 -5.040 -4.233 -13.328 1.00 0.00 C ATOM 1471 C GLU A 99 -5.370 -2.757 -13.510 1.00 0.00 C ATOM 1472 O GLU A 99 -6.259 -2.401 -14.281 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.448 -5.010 -14.581 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.520 -4.788 -15.763 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.896 -5.625 -16.969 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.407 -6.748 -16.778 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.678 -5.156 -18.106 1.00 0.00 O ATOM 0 H GLU A 99 -6.709 -4.799 -12.180 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.964 -4.317 -13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.475 -6.074 -14.346 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.460 -4.720 -14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.536 -3.734 -16.039 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.498 -5.024 -15.466 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.629 -1.901 -12.815 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.833 -0.460 -12.912 1.00 0.00 C ATOM 1486 C ARG A 100 -4.377 0.071 -14.271 1.00 0.00 C ATOM 1487 O ARG A 100 -3.204 -0.027 -14.627 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.081 0.259 -11.789 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.566 0.192 -11.924 1.00 0.00 C ATOM 1490 CD ARG A 100 -1.966 1.568 -12.160 1.00 0.00 C ATOM 1491 NE ARG A 100 -0.561 1.492 -12.552 1.00 0.00 N ATOM 1492 CZ ARG A 100 0.149 2.539 -12.968 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.412 3.740 -13.048 1.00 0.00 N ATOM 1494 NH2 ARG A 100 1.421 2.384 -13.308 1.00 0.00 N ATOM 0 H ARG A 100 -3.882 -2.180 -12.179 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.900 -0.264 -12.810 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.389 1.304 -11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.371 -0.177 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.138 -0.242 -11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.302 -0.468 -12.751 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.532 2.082 -12.937 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.057 2.164 -11.252 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.097 0.585 -12.504 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.391 3.864 -12.790 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.136 4.539 -13.367 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.856 1.463 -13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.965 3.186 -13.627 1.00 0.00 H new