USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=11 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= -0.035 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.102 USER MOD Single : A 46 MET CE :methyl 151:sc= -0.563 (180deg=-1.4) USER MOD Single : A 48 GLN : amide:sc= 0.375 K(o=0.37,f=-2.2!) USER MOD Single : A 51 MET CE :methyl -173:sc= -1.88 (180deg=-2.03) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.014) 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= -0.562 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -3.01! C(o=-3!,f=-3.3!) USER MOD Single : A 82 ASN : amide:sc= -5.06! C(o=-5.1!,f=-2.1!) USER MOD Single : A 84 LYS NZ :NH3+ -158:sc= 0.337 (180deg=-0.138) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -1.54 (180deg=-1.87) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.625 K(o=-0.62,f=-4.4!) 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 -9.177 -0.976 -12.002 1.00 0.00 N ATOM 143 CA GLU A 10 -8.489 -2.255 -12.078 1.00 0.00 C ATOM 144 C GLU A 10 -9.457 -3.434 -12.075 1.00 0.00 C ATOM 145 O GLU A 10 -10.458 -3.436 -11.357 1.00 0.00 O ATOM 146 CB GLU A 10 -7.491 -2.385 -10.928 1.00 0.00 C ATOM 147 CG GLU A 10 -8.124 -2.269 -9.549 1.00 0.00 C ATOM 148 CD GLU A 10 -7.102 -1.973 -8.469 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.897 -2.196 -8.713 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.505 -1.520 -7.377 1.00 0.00 O ATOM 0 HA GLU A 10 -7.954 -2.280 -13.027 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.985 -3.347 -11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.728 -1.614 -11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.875 -1.479 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.643 -3.198 -9.311 1.00 0.00 H new ATOM 157 N LYS A 11 -9.136 -4.441 -12.888 1.00 0.00 N ATOM 158 CA LYS A 11 -9.954 -5.644 -12.997 1.00 0.00 C ATOM 159 C LYS A 11 -9.930 -6.426 -11.681 1.00 0.00 C ATOM 160 O LYS A 11 -9.788 -5.836 -10.611 1.00 0.00 O ATOM 161 CB LYS A 11 -9.446 -6.515 -14.152 1.00 0.00 C ATOM 162 CG LYS A 11 -9.252 -5.752 -15.453 1.00 0.00 C ATOM 163 CD LYS A 11 -8.695 -6.649 -16.547 1.00 0.00 C ATOM 164 CE LYS A 11 -9.779 -7.078 -17.521 1.00 0.00 C ATOM 165 NZ LYS A 11 -9.236 -7.923 -18.622 1.00 0.00 N ATOM 0 H LYS A 11 -8.308 -4.444 -13.484 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.985 -5.355 -13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.499 -6.970 -13.863 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.152 -7.328 -14.320 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.205 -5.332 -15.775 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.574 -4.915 -15.287 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.908 -6.121 -17.086 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.238 -7.531 -16.098 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.550 -7.632 -16.985 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.257 -6.194 -17.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.008 -8.194 -19.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.519 -7.386 -19.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.802 -8.779 -18.221 1.00 0.00 H new ATOM 179 N ASP A 12 -10.071 -7.749 -11.757 1.00 0.00 N ATOM 180 CA ASP A 12 -10.062 -8.581 -10.559 1.00 0.00 C ATOM 181 C ASP A 12 -9.168 -9.803 -10.737 1.00 0.00 C ATOM 182 O ASP A 12 -9.305 -10.793 -10.018 1.00 0.00 O ATOM 183 CB ASP A 12 -11.486 -9.023 -10.213 1.00 0.00 C ATOM 184 CG ASP A 12 -12.222 -7.997 -9.375 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.553 -7.253 -8.627 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.466 -7.937 -9.467 1.00 0.00 O ATOM 0 H ASP A 12 -10.192 -8.263 -12.630 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.660 -7.984 -9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.042 -9.202 -11.133 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.449 -9.969 -9.674 1.00 0.00 H new ATOM 191 N GLY A 13 -8.255 -9.733 -11.698 1.00 0.00 N ATOM 192 CA GLY A 13 -7.357 -10.844 -11.952 1.00 0.00 C ATOM 193 C GLY A 13 -5.989 -10.652 -11.322 1.00 0.00 C ATOM 194 O GLY A 13 -5.827 -9.844 -10.409 1.00 0.00 O ATOM 0 H GLY A 13 -8.120 -8.926 -12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.803 -11.761 -11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.241 -10.973 -13.028 1.00 0.00 H new ATOM 198 N ALA A 14 -5.006 -11.400 -11.812 1.00 0.00 N ATOM 199 CA ALA A 14 -3.642 -11.322 -11.294 1.00 0.00 C ATOM 200 C ALA A 14 -2.977 -9.994 -11.652 1.00 0.00 C ATOM 201 O ALA A 14 -3.610 -9.102 -12.219 1.00 0.00 O ATOM 202 CB ALA A 14 -2.822 -12.490 -11.822 1.00 0.00 C ATOM 0 H ALA A 14 -5.128 -12.071 -12.571 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.689 -11.378 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.806 -12.427 -11.433 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.276 -13.428 -11.501 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.796 -12.453 -12.911 1.00 0.00 H new ATOM 208 N VAL A 15 -1.678 -9.894 -11.369 1.00 0.00 N ATOM 209 CA VAL A 15 -0.907 -8.703 -11.715 1.00 0.00 C ATOM 210 C VAL A 15 -0.769 -8.574 -13.231 1.00 0.00 C ATOM 211 O VAL A 15 -0.753 -9.580 -13.941 1.00 0.00 O ATOM 212 CB VAL A 15 0.497 -8.719 -11.086 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.322 -9.875 -11.630 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.206 -7.392 -11.323 1.00 0.00 C ATOM 0 H VAL A 15 -1.139 -10.623 -10.902 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.454 -7.849 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 15 0.386 -8.861 -10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.310 -9.865 -11.170 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.824 -10.817 -11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.423 -9.773 -12.710 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.197 -7.423 -10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.302 -7.217 -12.395 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.627 -6.585 -10.874 1.00 0.00 H new ATOM 224 N GLU A 16 -0.619 -7.351 -13.724 1.00 0.00 N ATOM 225 CA GLU A 16 -0.426 -7.129 -15.149 1.00 0.00 C ATOM 226 C GLU A 16 0.679 -6.099 -15.369 1.00 0.00 C ATOM 227 O GLU A 16 1.091 -5.412 -14.436 1.00 0.00 O ATOM 228 CB GLU A 16 -1.724 -6.687 -15.832 1.00 0.00 C ATOM 229 CG GLU A 16 -2.492 -7.833 -16.469 1.00 0.00 C ATOM 230 CD GLU A 16 -3.858 -8.036 -15.843 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.944 -8.752 -14.823 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.843 -7.477 -16.371 1.00 0.00 O ATOM 0 H GLU A 16 -0.627 -6.501 -13.160 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.127 -8.074 -15.603 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.363 -6.195 -15.098 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.489 -5.947 -16.597 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.610 -7.639 -17.535 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.913 -8.751 -16.374 1.00 0.00 H new ATOM 239 N ALA A 17 1.179 -6.043 -16.601 1.00 0.00 N ATOM 240 CA ALA A 17 2.282 -5.143 -16.971 1.00 0.00 C ATOM 241 C ALA A 17 2.432 -3.973 -15.992 1.00 0.00 C ATOM 242 O ALA A 17 3.370 -3.948 -15.195 1.00 0.00 O ATOM 243 CB ALA A 17 2.080 -4.619 -18.385 1.00 0.00 C ATOM 0 H ALA A 17 0.836 -6.616 -17.372 1.00 0.00 H new ATOM 0 HA ALA A 17 3.203 -5.725 -16.925 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.903 -3.954 -18.648 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.053 -5.456 -19.083 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.139 -4.071 -18.439 1.00 0.00 H new ATOM 249 N GLU A 18 1.532 -2.999 -16.061 1.00 0.00 N ATOM 250 CA GLU A 18 1.616 -1.834 -15.178 1.00 0.00 C ATOM 251 C GLU A 18 0.393 -1.727 -14.273 1.00 0.00 C ATOM 252 O GLU A 18 -0.448 -0.844 -14.442 1.00 0.00 O ATOM 253 CB GLU A 18 1.769 -0.557 -16.007 1.00 0.00 C ATOM 254 CG GLU A 18 2.973 -0.578 -16.936 1.00 0.00 C ATOM 255 CD GLU A 18 3.342 0.802 -17.444 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.433 1.648 -17.575 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.540 1.034 -17.712 1.00 0.00 O ATOM 0 H GLU A 18 0.744 -2.988 -16.709 1.00 0.00 H new ATOM 0 HA GLU A 18 2.492 -1.960 -14.542 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.866 -0.407 -16.599 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.854 0.296 -15.334 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.826 -1.007 -16.410 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.761 -1.229 -17.784 1.00 0.00 H new ATOM 264 N ASP A 19 0.295 -2.653 -13.319 1.00 0.00 N ATOM 265 CA ASP A 19 -0.829 -2.697 -12.389 1.00 0.00 C ATOM 266 C ASP A 19 -0.486 -2.075 -11.035 1.00 0.00 C ATOM 267 O ASP A 19 0.575 -1.477 -10.862 1.00 0.00 O ATOM 268 CB ASP A 19 -1.233 -4.150 -12.165 1.00 0.00 C ATOM 269 CG ASP A 19 -1.921 -4.747 -13.365 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.713 -4.235 -14.486 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.667 -5.734 -13.187 1.00 0.00 O ATOM 0 H ASP A 19 0.987 -3.387 -13.171 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.643 -2.121 -12.830 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.346 -4.738 -11.928 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.896 -4.211 -11.302 1.00 0.00 H new ATOM 276 N ARG A 20 -1.395 -2.249 -10.075 1.00 0.00 N ATOM 277 CA ARG A 20 -1.203 -1.743 -8.724 1.00 0.00 C ATOM 278 C ARG A 20 -1.832 -2.711 -7.712 1.00 0.00 C ATOM 279 O ARG A 20 -3.044 -2.929 -7.709 1.00 0.00 O ATOM 280 CB ARG A 20 -1.800 -0.341 -8.579 1.00 0.00 C ATOM 281 CG ARG A 20 -0.982 0.747 -9.268 1.00 0.00 C ATOM 282 CD ARG A 20 -1.040 2.070 -8.517 1.00 0.00 C ATOM 283 NE ARG A 20 -0.299 3.132 -9.199 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.848 4.256 -9.655 1.00 0.00 C ATOM 285 NH1 ARG A 20 -2.152 4.474 -9.536 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.082 5.169 -10.238 1.00 0.00 N ATOM 0 H ARG A 20 -2.277 -2.741 -10.215 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.134 -1.672 -8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.809 -0.341 -8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.888 -0.101 -7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.055 0.423 -9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.353 0.890 -10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.080 2.374 -8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.634 1.934 -7.515 1.00 0.00 H new ATOM 0 HE ARG A 20 0.704 3.003 -9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.747 3.776 -9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.559 5.340 -9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.920 5.007 -10.334 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.496 6.032 -10.590 1.00 0.00 H new ATOM 300 N VAL A 21 -0.989 -3.290 -6.861 1.00 0.00 N ATOM 301 CA VAL A 21 -1.417 -4.242 -5.833 1.00 0.00 C ATOM 302 C VAL A 21 -1.699 -3.556 -4.496 1.00 0.00 C ATOM 303 O VAL A 21 -1.334 -2.398 -4.295 1.00 0.00 O ATOM 304 CB VAL A 21 -0.326 -5.306 -5.595 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.225 -6.259 -6.775 1.00 0.00 C ATOM 306 CG2 VAL A 21 1.011 -4.633 -5.325 1.00 0.00 C ATOM 0 H VAL A 21 0.016 -3.113 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.334 -4.702 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.603 -5.894 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.552 -6.998 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.180 -6.765 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.026 -5.698 -7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.774 -5.393 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.290 -4.021 -6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.929 -4.002 -4.440 1.00 0.00 H new ATOM 316 N THR A 22 -2.305 -4.298 -3.565 1.00 0.00 N ATOM 317 CA THR A 22 -2.584 -3.779 -2.230 1.00 0.00 C ATOM 318 C THR A 22 -1.915 -4.683 -1.200 1.00 0.00 C ATOM 319 O THR A 22 -2.261 -5.856 -1.087 1.00 0.00 O ATOM 320 CB THR A 22 -4.088 -3.715 -1.966 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.708 -2.760 -2.810 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.425 -3.354 -0.533 1.00 0.00 C ATOM 0 H THR A 22 -2.610 -5.260 -3.715 1.00 0.00 H new ATOM 0 HA THR A 22 -2.188 -2.766 -2.155 1.00 0.00 H new ATOM 0 HB THR A 22 -4.462 -4.718 -2.170 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.670 -2.736 -2.626 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.508 -3.325 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.003 -4.101 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.007 -2.376 -0.296 1.00 0.00 H new ATOM 330 N ILE A 23 -0.926 -4.160 -0.483 1.00 0.00 N ATOM 331 CA ILE A 23 -0.208 -4.976 0.489 1.00 0.00 C ATOM 332 C ILE A 23 0.005 -4.278 1.834 1.00 0.00 C ATOM 333 O ILE A 23 0.059 -3.054 1.920 1.00 0.00 O ATOM 334 CB ILE A 23 1.162 -5.418 -0.069 1.00 0.00 C ATOM 335 CG1 ILE A 23 2.093 -4.213 -0.286 1.00 0.00 C ATOM 336 CG2 ILE A 23 0.976 -6.204 -1.358 1.00 0.00 C ATOM 337 CD1 ILE A 23 1.864 -3.463 -1.582 1.00 0.00 C ATOM 0 H ILE A 23 -0.608 -3.194 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.843 -5.844 0.666 1.00 0.00 H new ATOM 0 HB ILE A 23 1.637 -6.067 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.968 -3.520 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.126 -4.560 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.949 -6.510 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.370 -7.088 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.476 -5.578 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.565 -2.631 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.019 -4.137 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.843 -3.081 -1.606 1.00 0.00 H new ATOM 349 N ASP A 24 0.155 -5.094 2.875 1.00 0.00 N ATOM 350 CA ASP A 24 0.407 -4.613 4.231 1.00 0.00 C ATOM 351 C ASP A 24 1.744 -5.182 4.696 1.00 0.00 C ATOM 352 O ASP A 24 1.973 -6.387 4.579 1.00 0.00 O ATOM 353 CB ASP A 24 -0.702 -5.064 5.187 1.00 0.00 C ATOM 354 CG ASP A 24 -0.942 -6.559 5.133 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.556 -7.027 4.151 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.515 -7.263 6.073 1.00 0.00 O ATOM 0 H ASP A 24 0.105 -6.110 2.801 1.00 0.00 H new ATOM 0 HA ASP A 24 0.429 -3.523 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.438 -4.778 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.626 -4.542 4.939 1.00 0.00 H new ATOM 361 N PHE A 25 2.643 -4.338 5.193 1.00 0.00 N ATOM 362 CA PHE A 25 3.949 -4.828 5.622 1.00 0.00 C ATOM 363 C PHE A 25 4.486 -4.101 6.847 1.00 0.00 C ATOM 364 O PHE A 25 3.976 -3.058 7.245 1.00 0.00 O ATOM 365 CB PHE A 25 4.950 -4.710 4.475 1.00 0.00 C ATOM 366 CG PHE A 25 5.277 -3.296 4.093 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.123 -2.529 4.878 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.725 -2.730 2.954 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.413 -1.220 4.535 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.009 -1.423 2.614 1.00 0.00 C ATOM 371 CZ PHE A 25 5.850 -0.669 3.400 1.00 0.00 C ATOM 0 H PHE A 25 2.498 -3.335 5.307 1.00 0.00 H new ATOM 0 HA PHE A 25 3.816 -5.872 5.904 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.871 -5.222 4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.551 -5.228 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.561 -2.958 5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.068 -3.316 2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.076 -0.632 5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.569 -0.990 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.070 0.353 3.130 1.00 0.00 H new ATOM 381 N THR A 26 5.528 -4.680 7.436 1.00 0.00 N ATOM 382 CA THR A 26 6.163 -4.114 8.622 1.00 0.00 C ATOM 383 C THR A 26 7.657 -4.431 8.629 1.00 0.00 C ATOM 384 O THR A 26 8.051 -5.593 8.735 1.00 0.00 O ATOM 385 CB THR A 26 5.510 -4.667 9.891 1.00 0.00 C ATOM 386 OG1 THR A 26 4.101 -4.519 9.838 1.00 0.00 O ATOM 387 CG2 THR A 26 5.994 -3.995 11.159 1.00 0.00 C ATOM 0 H THR A 26 5.953 -5.547 7.108 1.00 0.00 H new ATOM 0 HA THR A 26 6.031 -3.032 8.598 1.00 0.00 H new ATOM 0 HB THR A 26 5.796 -5.718 9.925 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.703 -4.880 10.658 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.490 -4.436 12.019 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.070 -4.136 11.257 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.770 -2.929 11.114 1.00 0.00 H new ATOM 395 N GLY A 27 8.486 -3.397 8.510 1.00 0.00 N ATOM 396 CA GLY A 27 9.923 -3.603 8.502 1.00 0.00 C ATOM 397 C GLY A 27 10.705 -2.367 8.898 1.00 0.00 C ATOM 398 O GLY A 27 10.149 -1.278 9.011 1.00 0.00 O ATOM 0 H GLY A 27 8.190 -2.425 8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.171 -4.416 9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.233 -3.918 7.505 1.00 0.00 H new ATOM 402 N SER A 28 11.999 -2.549 9.116 1.00 0.00 N ATOM 403 CA SER A 28 12.881 -1.455 9.512 1.00 0.00 C ATOM 404 C SER A 28 13.846 -1.088 8.391 1.00 0.00 C ATOM 405 O SER A 28 13.875 -1.734 7.347 1.00 0.00 O ATOM 406 CB SER A 28 13.676 -1.852 10.758 1.00 0.00 C ATOM 407 OG SER A 28 13.278 -3.127 11.232 1.00 0.00 O ATOM 0 H SER A 28 12.467 -3.451 9.025 1.00 0.00 H new ATOM 0 HA SER A 28 12.260 -0.586 9.730 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.741 -1.863 10.526 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.528 -1.107 11.540 1.00 0.00 H new ATOM 0 HG SER A 28 13.802 -3.358 12.027 1.00 0.00 H new ATOM 413 N VAL A 29 14.642 -0.051 8.634 1.00 0.00 N ATOM 414 CA VAL A 29 15.626 0.417 7.669 1.00 0.00 C ATOM 415 C VAL A 29 17.042 0.103 8.147 1.00 0.00 C ATOM 416 O VAL A 29 17.637 -0.892 7.735 1.00 0.00 O ATOM 417 CB VAL A 29 15.478 1.930 7.416 1.00 0.00 C ATOM 418 CG1 VAL A 29 16.367 2.381 6.268 1.00 0.00 C ATOM 419 CG2 VAL A 29 14.023 2.290 7.152 1.00 0.00 C ATOM 0 H VAL A 29 14.622 0.485 9.502 1.00 0.00 H new ATOM 0 HA VAL A 29 15.447 -0.108 6.731 1.00 0.00 H new ATOM 0 HB VAL A 29 15.801 2.457 8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.243 3.452 6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.408 2.168 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.088 1.847 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 13.940 3.362 6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.668 1.749 6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.418 2.016 8.016 1.00 0.00 H new ATOM 429 N ASP A 30 17.572 0.942 9.029 1.00 0.00 N ATOM 430 CA ASP A 30 18.907 0.734 9.573 1.00 0.00 C ATOM 431 C ASP A 30 18.819 0.003 10.908 1.00 0.00 C ATOM 432 O ASP A 30 19.526 0.336 11.860 1.00 0.00 O ATOM 433 CB ASP A 30 19.628 2.073 9.749 1.00 0.00 C ATOM 434 CG ASP A 30 21.136 1.933 9.660 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.697 1.089 10.387 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.756 2.673 8.866 1.00 0.00 O ATOM 0 H ASP A 30 17.097 1.773 9.382 1.00 0.00 H new ATOM 0 HA ASP A 30 19.478 0.124 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.285 2.771 8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.362 2.502 10.715 1.00 0.00 H new ATOM 441 N GLY A 31 17.928 -0.984 10.977 1.00 0.00 N ATOM 442 CA GLY A 31 17.741 -1.733 12.204 1.00 0.00 C ATOM 443 C GLY A 31 16.576 -1.207 13.023 1.00 0.00 C ATOM 444 O GLY A 31 16.106 -1.870 13.947 1.00 0.00 O ATOM 0 H GLY A 31 17.333 -1.277 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.571 -2.783 11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.653 -1.686 12.800 1.00 0.00 H new ATOM 448 N GLU A 32 16.103 -0.009 12.674 1.00 0.00 N ATOM 449 CA GLU A 32 14.980 0.610 13.371 1.00 0.00 C ATOM 450 C GLU A 32 13.931 1.083 12.370 1.00 0.00 C ATOM 451 O GLU A 32 14.217 1.890 11.486 1.00 0.00 O ATOM 452 CB GLU A 32 15.467 1.783 14.224 1.00 0.00 C ATOM 453 CG GLU A 32 16.548 1.397 15.222 1.00 0.00 C ATOM 454 CD GLU A 32 16.102 0.299 16.166 1.00 0.00 C ATOM 455 OE1 GLU A 32 14.918 0.303 16.565 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.936 -0.567 16.508 1.00 0.00 O ATOM 0 H GLU A 32 16.483 0.551 11.911 1.00 0.00 H new ATOM 0 HA GLU A 32 14.525 -0.132 14.027 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.851 2.565 13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.620 2.207 14.763 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.436 1.069 14.682 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.834 2.275 15.801 1.00 0.00 H new ATOM 463 N GLU A 33 12.716 0.559 12.506 1.00 0.00 N ATOM 464 CA GLU A 33 11.627 0.898 11.613 1.00 0.00 C ATOM 465 C GLU A 33 11.277 2.365 11.710 1.00 0.00 C ATOM 466 O GLU A 33 10.974 2.883 12.784 1.00 0.00 O ATOM 467 CB GLU A 33 10.397 0.036 11.909 1.00 0.00 C ATOM 468 CG GLU A 33 10.002 0.000 13.375 1.00 0.00 C ATOM 469 CD GLU A 33 8.710 -0.762 13.605 1.00 0.00 C ATOM 470 OE1 GLU A 33 7.724 -0.485 12.890 1.00 0.00 O ATOM 471 OE2 GLU A 33 8.687 -1.636 14.495 1.00 0.00 O ATOM 0 H GLU A 33 12.466 -0.108 13.236 1.00 0.00 H new ATOM 0 HA GLU A 33 11.957 0.696 10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.555 0.411 11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.590 -0.982 11.571 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.802 -0.463 13.953 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.891 1.020 13.744 1.00 0.00 H new ATOM 478 N PHE A 34 11.356 3.034 10.575 1.00 0.00 N ATOM 479 CA PHE A 34 11.089 4.469 10.478 1.00 0.00 C ATOM 480 C PHE A 34 9.596 4.782 10.373 1.00 0.00 C ATOM 481 O PHE A 34 8.778 4.178 11.065 1.00 0.00 O ATOM 482 CB PHE A 34 11.863 5.036 9.269 1.00 0.00 C ATOM 483 CG PHE A 34 11.296 4.672 7.913 1.00 0.00 C ATOM 484 CD1 PHE A 34 10.842 3.388 7.636 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.220 5.628 6.910 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.329 3.071 6.391 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.707 5.316 5.666 1.00 0.00 C ATOM 488 CZ PHE A 34 10.262 4.035 5.408 1.00 0.00 C ATOM 0 H PHE A 34 11.608 2.601 9.686 1.00 0.00 H new ATOM 0 HA PHE A 34 11.431 4.947 11.396 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.892 6.122 9.353 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.894 4.685 9.320 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.890 2.628 8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.567 6.632 7.105 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.981 2.069 6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.654 6.072 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.861 3.788 4.436 1.00 0.00 H new ATOM 498 N GLU A 35 9.250 5.706 9.493 1.00 0.00 N ATOM 499 CA GLU A 35 7.859 6.086 9.268 1.00 0.00 C ATOM 500 C GLU A 35 7.102 4.964 8.566 1.00 0.00 C ATOM 501 O GLU A 35 6.061 4.509 9.037 1.00 0.00 O ATOM 502 CB GLU A 35 7.781 7.362 8.426 1.00 0.00 C ATOM 503 CG GLU A 35 8.533 8.537 9.024 1.00 0.00 C ATOM 504 CD GLU A 35 7.745 9.238 10.116 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.519 9.411 9.944 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.354 9.611 11.139 1.00 0.00 O ATOM 0 H GLU A 35 9.919 6.214 8.915 1.00 0.00 H new ATOM 0 HA GLU A 35 7.399 6.270 10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.179 7.156 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.734 7.639 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.481 8.187 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.770 9.252 8.236 1.00 0.00 H new ATOM 513 N GLY A 36 7.642 4.524 7.430 1.00 0.00 N ATOM 514 CA GLY A 36 7.016 3.459 6.665 1.00 0.00 C ATOM 515 C GLY A 36 7.305 2.081 7.227 1.00 0.00 C ATOM 516 O GLY A 36 7.055 1.075 6.565 1.00 0.00 O ATOM 0 H GLY A 36 8.505 4.888 7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.938 3.619 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.365 3.506 5.633 1.00 0.00 H new ATOM 520 N GLY A 37 7.826 2.030 8.449 1.00 0.00 N ATOM 521 CA GLY A 37 8.133 0.761 9.071 1.00 0.00 C ATOM 522 C GLY A 37 6.923 -0.145 9.207 1.00 0.00 C ATOM 523 O GLY A 37 7.062 -1.322 9.538 1.00 0.00 O ATOM 0 H GLY A 37 8.040 2.849 9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.897 0.251 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.557 0.941 10.059 1.00 0.00 H new ATOM 527 N LYS A 38 5.735 0.394 8.945 1.00 0.00 N ATOM 528 CA LYS A 38 4.513 -0.391 9.036 1.00 0.00 C ATOM 529 C LYS A 38 3.448 0.144 8.086 1.00 0.00 C ATOM 530 O LYS A 38 3.066 1.314 8.150 1.00 0.00 O ATOM 531 CB LYS A 38 3.981 -0.405 10.472 1.00 0.00 C ATOM 532 CG LYS A 38 3.678 0.976 11.033 1.00 0.00 C ATOM 533 CD LYS A 38 2.360 0.995 11.792 1.00 0.00 C ATOM 534 CE LYS A 38 1.271 1.706 11.005 1.00 0.00 C ATOM 535 NZ LYS A 38 1.165 3.144 11.377 1.00 0.00 N ATOM 0 H LYS A 38 5.596 1.366 8.670 1.00 0.00 H new ATOM 0 HA LYS A 38 4.752 -1.413 8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.073 -1.007 10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.713 -0.895 11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.485 1.285 11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.640 1.700 10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.047 -0.027 12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.499 1.492 12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.480 1.621 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.315 1.214 11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.411 3.593 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.940 3.225 12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.069 3.620 11.184 1.00 0.00 H new ATOM 549 N ALA A 39 2.969 -0.728 7.209 1.00 0.00 N ATOM 550 CA ALA A 39 1.941 -0.367 6.244 1.00 0.00 C ATOM 551 C ALA A 39 0.859 -1.432 6.211 1.00 0.00 C ATOM 552 O ALA A 39 1.140 -2.621 6.363 1.00 0.00 O ATOM 553 CB ALA A 39 2.541 -0.184 4.858 1.00 0.00 C ATOM 0 H ALA A 39 3.279 -1.698 7.147 1.00 0.00 H new ATOM 0 HA ALA A 39 1.498 0.580 6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.754 0.085 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.289 0.608 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.011 -1.115 4.539 1.00 0.00 H new ATOM 559 N SER A 40 -0.378 -1.004 6.017 1.00 0.00 N ATOM 560 CA SER A 40 -1.498 -1.928 5.971 1.00 0.00 C ATOM 561 C SER A 40 -2.128 -1.948 4.586 1.00 0.00 C ATOM 562 O SER A 40 -2.180 -2.985 3.929 1.00 0.00 O ATOM 563 CB SER A 40 -2.546 -1.545 7.016 1.00 0.00 C ATOM 564 OG SER A 40 -3.003 -0.219 6.817 1.00 0.00 O ATOM 0 H SER A 40 -0.631 -0.024 5.889 1.00 0.00 H new ATOM 0 HA SER A 40 -1.122 -2.927 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.388 -2.235 6.961 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.120 -1.640 8.015 1.00 0.00 H new ATOM 0 HG SER A 40 -3.674 0.001 7.497 1.00 0.00 H new ATOM 570 N ASP A 41 -2.556 -0.787 4.123 1.00 0.00 N ATOM 571 CA ASP A 41 -3.121 -0.643 2.800 1.00 0.00 C ATOM 572 C ASP A 41 -2.085 -0.011 1.889 1.00 0.00 C ATOM 573 O ASP A 41 -2.234 1.142 1.482 1.00 0.00 O ATOM 574 CB ASP A 41 -4.387 0.216 2.843 1.00 0.00 C ATOM 575 CG ASP A 41 -4.143 1.571 3.478 1.00 0.00 C ATOM 576 OD1 ASP A 41 -3.922 1.620 4.706 1.00 0.00 O ATOM 577 OD2 ASP A 41 -4.175 2.583 2.747 1.00 0.00 O ATOM 0 H ASP A 41 -2.520 0.081 4.657 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.397 -1.625 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.763 0.355 1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.161 -0.310 3.401 1.00 0.00 H new ATOM 582 N PHE A 42 -1.045 -0.750 1.556 1.00 0.00 N ATOM 583 CA PHE A 42 -0.009 -0.222 0.677 1.00 0.00 C ATOM 584 C PHE A 42 -0.386 -0.477 -0.770 1.00 0.00 C ATOM 585 O PHE A 42 -0.505 -1.624 -1.195 1.00 0.00 O ATOM 586 CB PHE A 42 1.358 -0.853 0.979 1.00 0.00 C ATOM 587 CG PHE A 42 2.506 -0.218 0.231 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.498 1.139 -0.059 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.594 -0.978 -0.185 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.545 1.723 -0.745 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.642 -0.395 -0.873 1.00 0.00 C ATOM 592 CZ PHE A 42 4.618 0.956 -1.153 1.00 0.00 C ATOM 0 H PHE A 42 -0.891 -1.707 1.874 1.00 0.00 H new ATOM 0 HA PHE A 42 0.070 0.851 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.551 -0.781 2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.319 -1.914 0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.662 1.746 0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.621 -2.036 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.524 2.781 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.480 -0.997 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.437 1.412 -1.690 1.00 0.00 H new ATOM 602 N VAL A 43 -0.578 0.589 -1.525 1.00 0.00 N ATOM 603 CA VAL A 43 -0.937 0.457 -2.922 1.00 0.00 C ATOM 604 C VAL A 43 0.308 0.522 -3.791 1.00 0.00 C ATOM 605 O VAL A 43 0.792 1.603 -4.125 1.00 0.00 O ATOM 606 CB VAL A 43 -1.931 1.546 -3.355 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.314 1.367 -4.816 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.162 1.519 -2.460 1.00 0.00 C ATOM 0 H VAL A 43 -0.492 1.550 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.420 -0.512 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.454 2.520 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.018 2.147 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.421 1.436 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.777 0.390 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.859 2.295 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.645 0.545 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.865 1.698 -1.427 1.00 0.00 H new ATOM 618 N LEU A 44 0.830 -0.647 -4.137 1.00 0.00 N ATOM 619 CA LEU A 44 2.030 -0.731 -4.946 1.00 0.00 C ATOM 620 C LEU A 44 1.688 -0.750 -6.421 1.00 0.00 C ATOM 621 O LEU A 44 0.704 -1.356 -6.831 1.00 0.00 O ATOM 622 CB LEU A 44 2.822 -1.985 -4.591 1.00 0.00 C ATOM 623 CG LEU A 44 4.269 -1.736 -4.178 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.019 -3.047 -4.082 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.956 -0.804 -5.164 1.00 0.00 C ATOM 0 H LEU A 44 0.438 -1.549 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 44 2.636 0.151 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.311 -2.501 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.815 -2.657 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 44 4.271 -1.259 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.051 -2.855 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.541 -3.686 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.006 -3.545 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.987 -0.639 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.945 -1.253 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.429 0.149 -5.191 1.00 0.00 H new ATOM 637 N ALA A 45 2.509 -0.075 -7.210 1.00 0.00 N ATOM 638 CA ALA A 45 2.302 -0.004 -8.645 1.00 0.00 C ATOM 639 C ALA A 45 3.288 -0.897 -9.391 1.00 0.00 C ATOM 640 O ALA A 45 4.460 -0.549 -9.532 1.00 0.00 O ATOM 641 CB ALA A 45 2.453 1.433 -9.110 1.00 0.00 C ATOM 0 H ALA A 45 3.328 0.433 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 45 1.295 -0.358 -8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.297 1.485 -10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.715 2.058 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.455 1.790 -8.871 1.00 0.00 H new ATOM 647 N MET A 46 2.816 -2.040 -9.877 1.00 0.00 N ATOM 648 CA MET A 46 3.678 -2.960 -10.610 1.00 0.00 C ATOM 649 C MET A 46 4.086 -2.368 -11.954 1.00 0.00 C ATOM 650 O MET A 46 3.529 -2.713 -12.994 1.00 0.00 O ATOM 651 CB MET A 46 2.984 -4.309 -10.810 1.00 0.00 C ATOM 652 CG MET A 46 3.500 -5.390 -9.876 1.00 0.00 C ATOM 653 SD MET A 46 5.125 -6.012 -10.354 1.00 0.00 S ATOM 654 CE MET A 46 4.703 -7.071 -11.736 1.00 0.00 C ATOM 0 H MET A 46 1.849 -2.350 -9.778 1.00 0.00 H new ATOM 0 HA MET A 46 4.579 -3.120 -10.018 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.912 -4.186 -10.656 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.122 -4.632 -11.842 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.552 -4.993 -8.862 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.790 -6.217 -9.858 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.540 -7.111 -12.433 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.485 -8.075 -11.372 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.826 -6.672 -12.246 1.00 0.00 H new ATOM 664 N GLY A 47 5.069 -1.475 -11.907 1.00 0.00 N ATOM 665 CA GLY A 47 5.558 -0.834 -13.115 1.00 0.00 C ATOM 666 C GLY A 47 5.087 0.602 -13.252 1.00 0.00 C ATOM 667 O GLY A 47 4.223 0.903 -14.076 1.00 0.00 O ATOM 0 H GLY A 47 5.538 -1.182 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.648 -0.856 -13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.227 -1.404 -13.983 1.00 0.00 H new ATOM 671 N GLN A 48 5.662 1.489 -12.447 1.00 0.00 N ATOM 672 CA GLN A 48 5.307 2.903 -12.482 1.00 0.00 C ATOM 673 C GLN A 48 6.561 3.767 -12.567 1.00 0.00 C ATOM 674 O GLN A 48 6.817 4.409 -13.586 1.00 0.00 O ATOM 675 CB GLN A 48 4.490 3.278 -11.244 1.00 0.00 C ATOM 676 CG GLN A 48 3.597 4.491 -11.447 1.00 0.00 C ATOM 677 CD GLN A 48 3.448 5.322 -10.189 1.00 0.00 C ATOM 678 OE1 GLN A 48 2.659 4.992 -9.303 1.00 0.00 O ATOM 679 NE2 GLN A 48 4.207 6.408 -10.104 1.00 0.00 N ATOM 0 H GLN A 48 6.378 1.253 -11.760 1.00 0.00 H new ATOM 0 HA GLN A 48 4.700 3.083 -13.369 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.873 2.427 -10.955 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.171 3.473 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.010 5.112 -12.242 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.613 4.161 -11.779 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.847 6.643 -10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.150 7.007 -9.280 1.00 0.00 H new ATOM 688 N GLY A 49 7.344 3.773 -11.493 1.00 0.00 N ATOM 689 CA GLY A 49 8.569 4.554 -11.467 1.00 0.00 C ATOM 690 C GLY A 49 9.795 3.701 -11.734 1.00 0.00 C ATOM 691 O GLY A 49 10.557 3.965 -12.664 1.00 0.00 O ATOM 0 H GLY A 49 7.152 3.250 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.509 5.346 -12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.669 5.038 -10.496 1.00 0.00 H new ATOM 695 N ARG A 50 9.977 2.675 -10.909 1.00 0.00 N ATOM 696 CA ARG A 50 11.108 1.762 -11.041 1.00 0.00 C ATOM 697 C ARG A 50 11.044 0.688 -9.958 1.00 0.00 C ATOM 698 O ARG A 50 11.901 0.624 -9.077 1.00 0.00 O ATOM 699 CB ARG A 50 12.432 2.528 -10.950 1.00 0.00 C ATOM 700 CG ARG A 50 12.669 3.169 -9.594 1.00 0.00 C ATOM 701 CD ARG A 50 13.960 2.681 -8.951 1.00 0.00 C ATOM 702 NE ARG A 50 15.073 2.661 -9.900 1.00 0.00 N ATOM 703 CZ ARG A 50 15.715 1.556 -10.280 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.373 0.370 -9.789 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.708 1.637 -11.156 1.00 0.00 N ATOM 0 H ARG A 50 9.350 2.453 -10.135 1.00 0.00 H new ATOM 0 HA ARG A 50 11.054 1.282 -12.018 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.253 1.846 -11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.448 3.302 -11.717 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.707 4.252 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.829 2.946 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.213 3.327 -8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.808 1.679 -8.549 1.00 0.00 H new ATOM 0 HE ARG A 50 15.378 3.550 -10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.612 0.298 -9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.871 -0.468 -10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.979 2.543 -11.537 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.201 0.793 -11.448 1.00 0.00 H new ATOM 719 N MET A 51 10.014 -0.153 -10.029 1.00 0.00 N ATOM 720 CA MET A 51 9.827 -1.222 -9.053 1.00 0.00 C ATOM 721 C MET A 51 11.128 -1.977 -8.803 1.00 0.00 C ATOM 722 O MET A 51 11.642 -2.666 -9.684 1.00 0.00 O ATOM 723 CB MET A 51 8.741 -2.194 -9.524 1.00 0.00 C ATOM 724 CG MET A 51 7.954 -2.822 -8.383 1.00 0.00 C ATOM 725 SD MET A 51 6.430 -1.933 -8.012 1.00 0.00 S ATOM 726 CE MET A 51 7.070 -0.316 -7.585 1.00 0.00 C ATOM 0 H MET A 51 9.296 -0.114 -10.753 1.00 0.00 H new ATOM 0 HA MET A 51 9.513 -0.763 -8.115 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.052 -1.665 -10.183 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.203 -2.985 -10.115 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.714 -3.854 -8.638 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.578 -2.851 -7.490 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.259 0.309 -7.212 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.833 -0.419 -6.814 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.508 0.147 -8.469 1.00 0.00 H new ATOM 736 N ILE A 52 11.652 -1.841 -7.590 1.00 0.00 N ATOM 737 CA ILE A 52 12.893 -2.510 -7.209 1.00 0.00 C ATOM 738 C ILE A 52 12.690 -4.017 -7.126 1.00 0.00 C ATOM 739 O ILE A 52 11.560 -4.491 -7.014 1.00 0.00 O ATOM 740 CB ILE A 52 13.448 -2.003 -5.855 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.323 -1.532 -4.928 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.450 -0.881 -6.083 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.792 -1.198 -3.529 1.00 0.00 C ATOM 0 H ILE A 52 11.237 -1.273 -6.852 1.00 0.00 H new ATOM 0 HA ILE A 52 13.620 -2.273 -7.986 1.00 0.00 H new ATOM 0 HB ILE A 52 13.953 -2.837 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.849 -0.652 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.561 -2.309 -4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.832 -0.534 -5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.276 -1.249 -6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.960 -0.055 -6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.943 -0.872 -2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.240 -2.082 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.532 -0.399 -3.574 1.00 0.00 H new ATOM 755 N PRO A 53 13.785 -4.796 -7.164 1.00 0.00 N ATOM 756 CA PRO A 53 13.709 -6.254 -7.078 1.00 0.00 C ATOM 757 C PRO A 53 13.070 -6.710 -5.774 1.00 0.00 C ATOM 758 O PRO A 53 12.633 -7.852 -5.650 1.00 0.00 O ATOM 759 CB PRO A 53 15.173 -6.707 -7.149 1.00 0.00 C ATOM 760 CG PRO A 53 15.968 -5.498 -6.787 1.00 0.00 C ATOM 761 CD PRO A 53 15.173 -4.322 -7.274 1.00 0.00 C ATOM 0 HA PRO A 53 13.091 -6.678 -7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.366 -7.528 -6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.428 -7.063 -8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.127 -5.443 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.953 -5.524 -7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.347 -3.436 -6.663 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.430 -4.058 -8.300 1.00 0.00 H new ATOM 769 N GLY A 54 13.013 -5.804 -4.806 1.00 0.00 N ATOM 770 CA GLY A 54 12.418 -6.126 -3.528 1.00 0.00 C ATOM 771 C GLY A 54 10.919 -6.307 -3.625 1.00 0.00 C ATOM 772 O GLY A 54 10.394 -7.383 -3.329 1.00 0.00 O ATOM 0 H GLY A 54 13.369 -4.852 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.868 -7.039 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.641 -5.332 -2.815 1.00 0.00 H new ATOM 776 N PHE A 55 10.227 -5.254 -4.045 1.00 0.00 N ATOM 777 CA PHE A 55 8.787 -5.301 -4.179 1.00 0.00 C ATOM 778 C PHE A 55 8.382 -6.160 -5.367 1.00 0.00 C ATOM 779 O PHE A 55 7.477 -6.989 -5.266 1.00 0.00 O ATOM 780 CB PHE A 55 8.217 -3.893 -4.345 1.00 0.00 C ATOM 781 CG PHE A 55 8.194 -3.067 -3.083 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.325 -3.366 -2.041 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.046 -1.982 -2.944 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.312 -2.603 -0.893 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.033 -1.215 -1.795 1.00 0.00 C ATOM 786 CZ PHE A 55 8.166 -1.528 -0.769 1.00 0.00 C ATOM 0 H PHE A 55 10.646 -4.359 -4.297 1.00 0.00 H new ATOM 0 HA PHE A 55 8.381 -5.745 -3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.803 -3.365 -5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.200 -3.971 -4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.652 -4.206 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.728 -1.733 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.632 -2.848 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.701 -0.372 -1.700 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.156 -0.931 0.131 1.00 0.00 H new ATOM 796 N GLU A 56 9.059 -5.961 -6.494 1.00 0.00 N ATOM 797 CA GLU A 56 8.768 -6.725 -7.701 1.00 0.00 C ATOM 798 C GLU A 56 8.843 -8.224 -7.426 1.00 0.00 C ATOM 799 O GLU A 56 8.279 -9.026 -8.168 1.00 0.00 O ATOM 800 CB GLU A 56 9.741 -6.345 -8.821 1.00 0.00 C ATOM 801 CG GLU A 56 9.053 -5.850 -10.083 1.00 0.00 C ATOM 802 CD GLU A 56 10.002 -5.739 -11.259 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.072 -5.115 -11.099 1.00 0.00 O ATOM 804 OE2 GLU A 56 9.676 -6.273 -12.340 1.00 0.00 O ATOM 0 H GLU A 56 9.811 -5.279 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 56 7.754 -6.484 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.416 -5.570 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.354 -7.212 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.240 -6.530 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.605 -4.876 -9.890 1.00 0.00 H new ATOM 811 N ASP A 57 9.540 -8.596 -6.355 1.00 0.00 N ATOM 812 CA ASP A 57 9.680 -9.998 -5.987 1.00 0.00 C ATOM 813 C ASP A 57 8.435 -10.497 -5.256 1.00 0.00 C ATOM 814 O ASP A 57 7.616 -11.213 -5.831 1.00 0.00 O ATOM 815 CB ASP A 57 10.924 -10.201 -5.116 1.00 0.00 C ATOM 816 CG ASP A 57 11.244 -11.665 -4.893 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.708 -12.322 -5.848 1.00 0.00 O ATOM 818 OD2 ASP A 57 11.034 -12.152 -3.763 1.00 0.00 O ATOM 0 H ASP A 57 10.015 -7.945 -5.729 1.00 0.00 H new ATOM 0 HA ASP A 57 9.794 -10.578 -6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.777 -9.714 -5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.772 -9.715 -4.152 1.00 0.00 H new ATOM 823 N GLY A 58 8.304 -10.139 -3.980 1.00 0.00 N ATOM 824 CA GLY A 58 7.165 -10.589 -3.202 1.00 0.00 C ATOM 825 C GLY A 58 5.856 -10.025 -3.707 1.00 0.00 C ATOM 826 O GLY A 58 4.919 -10.768 -3.999 1.00 0.00 O ATOM 0 H GLY A 58 8.964 -9.548 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.121 -11.678 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.304 -10.299 -2.161 1.00 0.00 H new ATOM 830 N ILE A 59 5.797 -8.705 -3.813 1.00 0.00 N ATOM 831 CA ILE A 59 4.614 -8.014 -4.283 1.00 0.00 C ATOM 832 C ILE A 59 4.534 -8.041 -5.799 1.00 0.00 C ATOM 833 O ILE A 59 4.084 -7.091 -6.439 1.00 0.00 O ATOM 834 CB ILE A 59 4.604 -6.562 -3.779 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.060 -6.497 -2.319 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.214 -5.981 -3.924 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.556 -6.543 -2.145 1.00 0.00 C ATOM 0 H ILE A 59 6.572 -8.086 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 59 3.742 -8.532 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 59 5.299 -5.975 -4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.680 -5.579 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.615 -7.328 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.211 -4.952 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.919 -6.001 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.510 -6.571 -3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.801 -6.493 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.942 -7.473 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.009 -5.697 -2.662 1.00 0.00 H new ATOM 849 N LYS A 60 4.915 -9.184 -6.341 1.00 0.00 N ATOM 850 CA LYS A 60 4.819 -9.394 -7.773 1.00 0.00 C ATOM 851 C LYS A 60 3.386 -9.038 -8.159 1.00 0.00 C ATOM 852 O LYS A 60 3.133 -8.264 -9.082 1.00 0.00 O ATOM 853 CB LYS A 60 5.135 -10.845 -8.148 1.00 0.00 C ATOM 854 CG LYS A 60 6.521 -11.023 -8.746 1.00 0.00 C ATOM 855 CD LYS A 60 6.647 -12.342 -9.492 1.00 0.00 C ATOM 856 CE LYS A 60 6.653 -12.132 -10.999 1.00 0.00 C ATOM 857 NZ LYS A 60 8.019 -11.842 -11.516 1.00 0.00 N ATOM 0 H LYS A 60 5.290 -9.974 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 60 5.543 -8.776 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.047 -11.470 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.391 -11.199 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.732 -10.198 -9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.268 -10.981 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.565 -12.846 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.820 -12.997 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.261 -13.022 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.987 -11.308 -11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.979 -11.706 -12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.384 -10.978 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.650 -12.639 -11.297 1.00 0.00 H new ATOM 871 N GLY A 61 2.466 -9.660 -7.433 1.00 0.00 N ATOM 872 CA GLY A 61 1.052 -9.485 -7.660 1.00 0.00 C ATOM 873 C GLY A 61 0.480 -10.745 -8.247 1.00 0.00 C ATOM 874 O GLY A 61 -0.078 -10.749 -9.343 1.00 0.00 O ATOM 0 H GLY A 61 2.688 -10.300 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.549 -9.247 -6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.882 -8.646 -8.335 1.00 0.00 H new ATOM 878 N HIS A 62 0.665 -11.833 -7.515 1.00 0.00 N ATOM 879 CA HIS A 62 0.208 -13.142 -7.979 1.00 0.00 C ATOM 880 C HIS A 62 -0.737 -13.826 -6.995 1.00 0.00 C ATOM 881 O HIS A 62 -1.692 -14.482 -7.412 1.00 0.00 O ATOM 882 CB HIS A 62 1.411 -14.047 -8.257 1.00 0.00 C ATOM 883 CG HIS A 62 2.332 -14.212 -7.085 1.00 0.00 C ATOM 884 ND1 HIS A 62 2.628 -15.438 -6.529 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.030 -13.299 -6.366 1.00 0.00 C ATOM 886 CE1 HIS A 62 3.466 -15.275 -5.520 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.725 -13.987 -5.401 1.00 0.00 N ATOM 0 H HIS A 62 1.124 -11.841 -6.604 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.355 -12.973 -8.897 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.051 -15.029 -8.565 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.975 -13.637 -9.095 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.038 -12.230 -6.523 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.869 -16.061 -4.899 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.342 -13.569 -4.705 1.00 0.00 H new ATOM 895 N LYS A 63 -0.478 -13.696 -5.700 1.00 0.00 N ATOM 896 CA LYS A 63 -1.322 -14.329 -4.705 1.00 0.00 C ATOM 897 C LYS A 63 -2.015 -13.276 -3.841 1.00 0.00 C ATOM 898 O LYS A 63 -1.459 -12.789 -2.857 1.00 0.00 O ATOM 899 CB LYS A 63 -0.472 -15.297 -3.868 1.00 0.00 C ATOM 900 CG LYS A 63 -0.924 -15.478 -2.430 1.00 0.00 C ATOM 901 CD LYS A 63 -1.930 -16.609 -2.290 1.00 0.00 C ATOM 902 CE LYS A 63 -3.358 -16.085 -2.289 1.00 0.00 C ATOM 903 NZ LYS A 63 -4.279 -16.983 -1.534 1.00 0.00 N ATOM 0 H LYS A 63 0.304 -13.162 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.110 -14.901 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.472 -16.271 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.558 -14.941 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.058 -15.682 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.368 -14.550 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.801 -17.316 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.740 -17.154 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.379 -15.089 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.709 -15.985 -3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.242 -16.591 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.279 -17.927 -1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.959 -17.058 -0.547 1.00 0.00 H new ATOM 917 N ALA A 64 -3.248 -12.949 -4.214 1.00 0.00 N ATOM 918 CA ALA A 64 -4.045 -11.988 -3.470 1.00 0.00 C ATOM 919 C ALA A 64 -4.264 -12.469 -2.038 1.00 0.00 C ATOM 920 O ALA A 64 -5.080 -13.357 -1.794 1.00 0.00 O ATOM 921 CB ALA A 64 -5.377 -11.756 -4.168 1.00 0.00 C ATOM 0 H ALA A 64 -3.716 -13.339 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.505 -11.042 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.964 -11.034 -3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.199 -11.370 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.923 -12.697 -4.232 1.00 0.00 H new ATOM 927 N GLY A 65 -3.532 -11.889 -1.095 1.00 0.00 N ATOM 928 CA GLY A 65 -3.671 -12.286 0.297 1.00 0.00 C ATOM 929 C GLY A 65 -2.488 -13.099 0.781 1.00 0.00 C ATOM 930 O GLY A 65 -2.646 -14.038 1.561 1.00 0.00 O ATOM 0 H GLY A 65 -2.846 -11.153 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.777 -11.396 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.584 -12.869 0.417 1.00 0.00 H new ATOM 934 N GLU A 66 -1.299 -12.749 0.302 1.00 0.00 N ATOM 935 CA GLU A 66 -0.081 -13.460 0.673 1.00 0.00 C ATOM 936 C GLU A 66 0.636 -12.791 1.838 1.00 0.00 C ATOM 937 O GLU A 66 0.358 -11.645 2.174 1.00 0.00 O ATOM 938 CB GLU A 66 0.870 -13.515 -0.522 1.00 0.00 C ATOM 939 CG GLU A 66 1.991 -14.528 -0.361 1.00 0.00 C ATOM 940 CD GLU A 66 2.771 -14.742 -1.643 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.024 -13.749 -2.357 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.128 -15.902 -1.934 1.00 0.00 O ATOM 0 H GLU A 66 -1.153 -11.975 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.372 -14.465 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.300 -13.756 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.304 -12.527 -0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.671 -14.191 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.572 -15.479 -0.032 1.00 0.00 H new ATOM 949 N GLU A 67 1.580 -13.522 2.429 1.00 0.00 N ATOM 950 CA GLU A 67 2.388 -13.016 3.535 1.00 0.00 C ATOM 951 C GLU A 67 3.851 -13.393 3.313 1.00 0.00 C ATOM 952 O GLU A 67 4.236 -14.549 3.493 1.00 0.00 O ATOM 953 CB GLU A 67 1.887 -13.566 4.874 1.00 0.00 C ATOM 954 CG GLU A 67 1.731 -15.078 4.897 1.00 0.00 C ATOM 955 CD GLU A 67 1.406 -15.606 6.280 1.00 0.00 C ATOM 956 OE1 GLU A 67 2.351 -15.919 7.034 1.00 0.00 O ATOM 957 OE2 GLU A 67 0.205 -15.708 6.611 1.00 0.00 O ATOM 0 H GLU A 67 1.805 -14.478 2.155 1.00 0.00 H new ATOM 0 HA GLU A 67 2.299 -11.930 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.581 -13.270 5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.926 -13.107 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.941 -15.369 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.652 -15.541 4.542 1.00 0.00 H new ATOM 964 N PHE A 68 4.656 -12.428 2.886 1.00 0.00 N ATOM 965 CA PHE A 68 6.068 -12.684 2.604 1.00 0.00 C ATOM 966 C PHE A 68 6.952 -11.549 3.103 1.00 0.00 C ATOM 967 O PHE A 68 6.469 -10.473 3.446 1.00 0.00 O ATOM 968 CB PHE A 68 6.270 -12.861 1.106 1.00 0.00 C ATOM 969 CG PHE A 68 5.661 -11.742 0.334 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.336 -10.546 0.192 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.403 -11.872 -0.214 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.765 -9.497 -0.497 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.824 -10.830 -0.899 1.00 0.00 C ATOM 974 CZ PHE A 68 4.505 -9.640 -1.043 1.00 0.00 C ATOM 0 H PHE A 68 4.360 -11.465 2.727 1.00 0.00 H new ATOM 0 HA PHE A 68 6.354 -13.595 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.336 -12.917 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.829 -13.806 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.319 -10.431 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.866 -12.803 -0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.302 -8.567 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.837 -10.944 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.053 -8.821 -1.582 1.00 0.00 H new ATOM 984 N THR A 69 8.251 -11.797 3.136 1.00 0.00 N ATOM 985 CA THR A 69 9.210 -10.797 3.584 1.00 0.00 C ATOM 986 C THR A 69 10.274 -10.563 2.523 1.00 0.00 C ATOM 987 O THR A 69 10.962 -11.498 2.115 1.00 0.00 O ATOM 988 CB THR A 69 9.865 -11.245 4.891 1.00 0.00 C ATOM 989 OG1 THR A 69 8.895 -11.732 5.800 1.00 0.00 O ATOM 990 CG2 THR A 69 10.635 -10.145 5.589 1.00 0.00 C ATOM 0 H THR A 69 8.668 -12.685 2.857 1.00 0.00 H new ATOM 0 HA THR A 69 8.678 -9.861 3.755 1.00 0.00 H new ATOM 0 HB THR A 69 10.566 -12.028 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.336 -12.015 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.073 -10.534 6.508 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.428 -9.784 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.960 -9.323 5.828 1.00 0.00 H new ATOM 998 N ILE A 70 10.419 -9.316 2.077 1.00 0.00 N ATOM 999 CA ILE A 70 11.419 -9.005 1.067 1.00 0.00 C ATOM 1000 C ILE A 70 12.248 -7.806 1.479 1.00 0.00 C ATOM 1001 O ILE A 70 11.871 -7.054 2.377 1.00 0.00 O ATOM 1002 CB ILE A 70 10.783 -8.737 -0.317 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.962 -7.442 -0.306 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.922 -9.916 -0.744 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.715 -7.517 0.543 1.00 0.00 C ATOM 0 H ILE A 70 9.866 -8.520 2.395 1.00 0.00 H new ATOM 0 HA ILE A 70 12.062 -9.881 0.984 1.00 0.00 H new ATOM 0 HB ILE A 70 11.588 -8.616 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.589 -6.628 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.679 -7.194 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.482 -9.711 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.538 -10.813 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.128 -10.070 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.188 -6.564 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.066 -8.308 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.990 -7.734 1.575 1.00 0.00 H new ATOM 1017 N ASP A 71 13.361 -7.609 0.793 1.00 0.00 N ATOM 1018 CA ASP A 71 14.221 -6.475 1.060 1.00 0.00 C ATOM 1019 C ASP A 71 13.852 -5.356 0.106 1.00 0.00 C ATOM 1020 O ASP A 71 13.443 -5.618 -1.020 1.00 0.00 O ATOM 1021 CB ASP A 71 15.691 -6.864 0.883 1.00 0.00 C ATOM 1022 CG ASP A 71 15.956 -7.538 -0.450 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.587 -6.957 -1.493 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.532 -8.646 -0.451 1.00 0.00 O ATOM 0 H ASP A 71 13.688 -8.222 0.046 1.00 0.00 H new ATOM 0 HA ASP A 71 14.085 -6.144 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.312 -5.972 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.986 -7.534 1.691 1.00 0.00 H new ATOM 1029 N VAL A 72 14.010 -4.114 0.532 1.00 0.00 N ATOM 1030 CA VAL A 72 13.696 -2.987 -0.338 1.00 0.00 C ATOM 1031 C VAL A 72 14.639 -1.828 -0.077 1.00 0.00 C ATOM 1032 O VAL A 72 14.875 -1.449 1.068 1.00 0.00 O ATOM 1033 CB VAL A 72 12.244 -2.502 -0.170 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.299 -3.341 -1.014 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.831 -2.523 1.289 1.00 0.00 C ATOM 0 H VAL A 72 14.348 -3.860 1.460 1.00 0.00 H new ATOM 0 HA VAL A 72 13.819 -3.344 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 72 12.187 -1.471 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.278 -2.983 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.579 -3.259 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.361 -4.384 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.802 -2.176 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.907 -3.540 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.487 -1.868 1.862 1.00 0.00 H new ATOM 1045 N THR A 73 15.166 -1.255 -1.145 1.00 0.00 N ATOM 1046 CA THR A 73 16.074 -0.126 -1.048 1.00 0.00 C ATOM 1047 C THR A 73 15.870 0.756 -2.267 1.00 0.00 C ATOM 1048 O THR A 73 15.995 0.292 -3.401 1.00 0.00 O ATOM 1049 CB THR A 73 17.525 -0.612 -0.983 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.791 -1.235 0.261 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.539 0.498 -1.168 1.00 0.00 C ATOM 0 H THR A 73 14.977 -1.558 -2.101 1.00 0.00 H new ATOM 0 HA THR A 73 15.868 0.439 -0.139 1.00 0.00 H new ATOM 0 HB THR A 73 17.629 -1.317 -1.808 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.722 -1.540 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.546 0.084 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.393 0.965 -2.142 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.408 1.244 -0.385 1.00 0.00 H new ATOM 1059 N PHE A 74 15.536 2.015 -2.045 1.00 0.00 N ATOM 1060 CA PHE A 74 15.300 2.925 -3.150 1.00 0.00 C ATOM 1061 C PHE A 74 16.599 3.557 -3.644 1.00 0.00 C ATOM 1062 O PHE A 74 17.373 4.103 -2.857 1.00 0.00 O ATOM 1063 CB PHE A 74 14.282 3.984 -2.738 1.00 0.00 C ATOM 1064 CG PHE A 74 12.908 3.409 -2.536 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.688 2.401 -1.607 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.841 3.865 -3.284 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.421 1.868 -1.433 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.576 3.340 -3.115 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.364 2.341 -2.189 1.00 0.00 C ATOM 0 H PHE A 74 15.423 2.427 -1.119 1.00 0.00 H new ATOM 0 HA PHE A 74 14.891 2.357 -3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.612 4.462 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.240 4.760 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.511 2.029 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.999 4.646 -4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.259 1.084 -0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.753 3.711 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.375 1.929 -2.054 1.00 0.00 H new ATOM 1079 N PRO A 75 16.862 3.482 -4.964 1.00 0.00 N ATOM 1080 CA PRO A 75 18.082 4.039 -5.559 1.00 0.00 C ATOM 1081 C PRO A 75 18.145 5.559 -5.465 1.00 0.00 C ATOM 1082 O PRO A 75 17.209 6.205 -4.996 1.00 0.00 O ATOM 1083 CB PRO A 75 18.005 3.597 -7.024 1.00 0.00 C ATOM 1084 CG PRO A 75 16.560 3.334 -7.274 1.00 0.00 C ATOM 1085 CD PRO A 75 15.998 2.841 -5.974 1.00 0.00 C ATOM 0 HA PRO A 75 18.974 3.690 -5.040 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.386 4.371 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.604 2.703 -7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.050 4.240 -7.601 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.429 2.592 -8.062 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.954 3.130 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.038 1.754 -5.905 1.00 0.00 H new ATOM 1093 N GLU A 76 19.264 6.119 -5.913 1.00 0.00 N ATOM 1094 CA GLU A 76 19.472 7.562 -5.882 1.00 0.00 C ATOM 1095 C GLU A 76 18.593 8.275 -6.909 1.00 0.00 C ATOM 1096 O GLU A 76 18.446 9.497 -6.868 1.00 0.00 O ATOM 1097 CB GLU A 76 20.944 7.884 -6.144 1.00 0.00 C ATOM 1098 CG GLU A 76 21.353 9.278 -5.701 1.00 0.00 C ATOM 1099 CD GLU A 76 22.677 9.715 -6.301 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.597 8.875 -6.383 1.00 0.00 O ATOM 1101 OE2 GLU A 76 22.792 10.897 -6.687 1.00 0.00 O ATOM 0 H GLU A 76 20.045 5.592 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 76 19.192 7.920 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.564 7.152 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.146 7.777 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.577 9.988 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.425 9.303 -4.614 1.00 0.00 H new ATOM 1108 N GLU A 77 18.017 7.511 -7.834 1.00 0.00 N ATOM 1109 CA GLU A 77 17.162 8.084 -8.867 1.00 0.00 C ATOM 1110 C GLU A 77 15.713 8.184 -8.393 1.00 0.00 C ATOM 1111 O GLU A 77 14.995 9.111 -8.766 1.00 0.00 O ATOM 1112 CB GLU A 77 17.245 7.255 -10.151 1.00 0.00 C ATOM 1113 CG GLU A 77 16.897 5.787 -9.959 1.00 0.00 C ATOM 1114 CD GLU A 77 17.293 4.938 -11.152 1.00 0.00 C ATOM 1115 OE1 GLU A 77 16.566 4.968 -12.168 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.328 4.244 -11.071 1.00 0.00 O ATOM 0 H GLU A 77 18.127 6.498 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 77 17.519 9.092 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.572 7.684 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.254 7.329 -10.555 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.398 5.411 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.825 5.690 -9.787 1.00 0.00 H new ATOM 1123 N TYR A 78 15.288 7.230 -7.567 1.00 0.00 N ATOM 1124 CA TYR A 78 13.925 7.228 -7.043 1.00 0.00 C ATOM 1125 C TYR A 78 13.714 8.421 -6.120 1.00 0.00 C ATOM 1126 O TYR A 78 13.000 9.366 -6.455 1.00 0.00 O ATOM 1127 CB TYR A 78 13.646 5.927 -6.285 1.00 0.00 C ATOM 1128 CG TYR A 78 12.176 5.611 -6.121 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.356 6.356 -5.273 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.609 4.556 -6.814 1.00 0.00 C ATOM 1131 CE1 TYR A 78 10.016 6.048 -5.133 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.272 4.244 -6.680 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.479 4.992 -5.839 1.00 0.00 C ATOM 1134 OH TYR A 78 8.145 4.684 -5.699 1.00 0.00 O ATOM 0 H TYR A 78 15.865 6.452 -7.248 1.00 0.00 H new ATOM 0 HA TYR A 78 13.233 7.301 -7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.127 5.102 -6.811 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.106 5.988 -5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.774 7.184 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.226 3.964 -7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.392 6.632 -4.473 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.850 3.417 -7.232 1.00 0.00 H new ATOM 0 HH TYR A 78 7.926 3.915 -6.265 1.00 0.00 H new ATOM 1144 N HIS A 79 14.363 8.364 -4.962 1.00 0.00 N ATOM 1145 CA HIS A 79 14.297 9.419 -3.956 1.00 0.00 C ATOM 1146 C HIS A 79 12.944 10.137 -3.920 1.00 0.00 C ATOM 1147 O HIS A 79 12.805 11.241 -4.446 1.00 0.00 O ATOM 1148 CB HIS A 79 15.421 10.425 -4.189 1.00 0.00 C ATOM 1149 CG HIS A 79 16.749 9.940 -3.698 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.847 10.760 -3.545 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.150 8.705 -3.311 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.865 10.053 -3.087 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.467 8.803 -2.936 1.00 0.00 N ATOM 0 H HIS A 79 14.955 7.578 -4.693 1.00 0.00 H new ATOM 0 HA HIS A 79 14.417 8.939 -2.985 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.491 10.643 -5.255 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.174 11.361 -3.688 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.546 7.810 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.853 10.432 -2.873 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.045 8.034 -2.596 1.00 0.00 H new ATOM 1161 N ALA A 80 11.958 9.517 -3.271 1.00 0.00 N ATOM 1162 CA ALA A 80 10.633 10.116 -3.144 1.00 0.00 C ATOM 1163 C ALA A 80 10.578 11.031 -1.920 1.00 0.00 C ATOM 1164 O ALA A 80 11.272 10.807 -0.931 1.00 0.00 O ATOM 1165 CB ALA A 80 9.564 9.039 -3.057 1.00 0.00 C ATOM 0 H ALA A 80 12.053 8.604 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 80 10.439 10.716 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.584 9.506 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.589 8.427 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.751 8.410 -2.187 1.00 0.00 H new ATOM 1171 N GLU A 81 9.763 12.072 -2.005 1.00 0.00 N ATOM 1172 CA GLU A 81 9.630 13.046 -0.923 1.00 0.00 C ATOM 1173 C GLU A 81 9.350 12.402 0.438 1.00 0.00 C ATOM 1174 O GLU A 81 9.644 12.995 1.476 1.00 0.00 O ATOM 1175 CB GLU A 81 8.512 14.037 -1.256 1.00 0.00 C ATOM 1176 CG GLU A 81 8.528 15.291 -0.397 1.00 0.00 C ATOM 1177 CD GLU A 81 7.440 15.287 0.660 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.310 14.857 0.349 1.00 0.00 O ATOM 1179 OE2 GLU A 81 7.719 15.714 1.801 1.00 0.00 O ATOM 0 H GLU A 81 9.178 12.268 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 81 10.589 13.558 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.594 14.325 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.550 13.539 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.500 15.383 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.406 16.166 -1.035 1.00 0.00 H new ATOM 1186 N ASN A 82 8.751 11.216 0.444 1.00 0.00 N ATOM 1187 CA ASN A 82 8.409 10.551 1.703 1.00 0.00 C ATOM 1188 C ASN A 82 9.458 9.540 2.175 1.00 0.00 C ATOM 1189 O ASN A 82 9.723 9.437 3.372 1.00 0.00 O ATOM 1190 CB ASN A 82 7.051 9.855 1.585 1.00 0.00 C ATOM 1191 CG ASN A 82 6.908 9.068 0.296 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.244 9.506 -0.642 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.532 7.897 0.249 1.00 0.00 N ATOM 0 H ASN A 82 8.493 10.698 -0.396 1.00 0.00 H new ATOM 0 HA ASN A 82 8.372 11.340 2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.916 9.184 2.433 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.259 10.601 1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.472 7.320 -0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.072 7.574 1.052 1.00 0.00 H new ATOM 1200 N LEU A 83 10.019 8.760 1.254 1.00 0.00 N ATOM 1201 CA LEU A 83 10.993 7.730 1.634 1.00 0.00 C ATOM 1202 C LEU A 83 12.253 7.736 0.767 1.00 0.00 C ATOM 1203 O LEU A 83 12.990 6.755 0.725 1.00 0.00 O ATOM 1204 CB LEU A 83 10.320 6.349 1.603 1.00 0.00 C ATOM 1205 CG LEU A 83 10.193 5.643 0.233 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.110 6.610 -0.946 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.344 4.689 0.029 1.00 0.00 C ATOM 0 H LEU A 83 9.823 8.816 0.255 1.00 0.00 H new ATOM 0 HA LEU A 83 11.325 7.961 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.876 5.690 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.319 6.454 2.020 1.00 0.00 H new ATOM 0 HG LEU A 83 9.250 5.097 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.023 6.045 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.238 7.253 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.011 7.223 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.243 4.198 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.284 5.241 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.338 3.938 0.819 1.00 0.00 H new ATOM 1219 N LYS A 84 12.494 8.842 0.083 1.00 0.00 N ATOM 1220 CA LYS A 84 13.661 8.989 -0.792 1.00 0.00 C ATOM 1221 C LYS A 84 14.901 8.254 -0.277 1.00 0.00 C ATOM 1222 O LYS A 84 15.321 8.435 0.866 1.00 0.00 O ATOM 1223 CB LYS A 84 13.996 10.469 -0.997 1.00 0.00 C ATOM 1224 CG LYS A 84 14.002 11.281 0.287 1.00 0.00 C ATOM 1225 CD LYS A 84 13.677 12.740 0.017 1.00 0.00 C ATOM 1226 CE LYS A 84 13.421 13.504 1.305 1.00 0.00 C ATOM 1227 NZ LYS A 84 12.346 14.521 1.143 1.00 0.00 N ATOM 0 H LYS A 84 11.892 9.665 0.114 1.00 0.00 H new ATOM 0 HA LYS A 84 13.385 8.530 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.975 10.548 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.272 10.903 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.275 10.867 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.980 11.206 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.503 13.203 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.799 12.805 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.143 12.804 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.340 13.995 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.445 15.251 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.424 14.962 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.417 14.062 1.234 1.00 0.00 H new ATOM 1241 N GLY A 85 15.488 7.436 -1.151 1.00 0.00 N ATOM 1242 CA GLY A 85 16.686 6.685 -0.809 1.00 0.00 C ATOM 1243 C GLY A 85 16.570 5.928 0.499 1.00 0.00 C ATOM 1244 O GLY A 85 17.427 6.057 1.373 1.00 0.00 O ATOM 0 H GLY A 85 15.150 7.280 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.904 5.979 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.531 7.371 -0.749 1.00 0.00 H new ATOM 1248 N LYS A 86 15.514 5.136 0.635 1.00 0.00 N ATOM 1249 CA LYS A 86 15.301 4.358 1.848 1.00 0.00 C ATOM 1250 C LYS A 86 15.763 2.912 1.685 1.00 0.00 C ATOM 1251 O LYS A 86 15.022 2.067 1.184 1.00 0.00 O ATOM 1252 CB LYS A 86 13.827 4.381 2.246 1.00 0.00 C ATOM 1253 CG LYS A 86 13.534 3.638 3.541 1.00 0.00 C ATOM 1254 CD LYS A 86 12.318 2.733 3.407 1.00 0.00 C ATOM 1255 CE LYS A 86 12.668 1.421 2.728 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.191 1.379 1.320 1.00 0.00 N ATOM 0 H LYS A 86 14.794 5.016 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 86 15.899 4.819 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.504 5.417 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.236 3.941 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.402 3.042 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.366 4.357 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.903 2.532 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.545 3.245 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.748 1.278 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.226 0.595 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.201 0.396 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.222 1.753 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.816 1.958 0.724 1.00 0.00 H new ATOM 1270 N ALA A 87 16.976 2.631 2.140 1.00 0.00 N ATOM 1271 CA ALA A 87 17.527 1.281 2.086 1.00 0.00 C ATOM 1272 C ALA A 87 17.061 0.508 3.312 1.00 0.00 C ATOM 1273 O ALA A 87 17.729 0.517 4.344 1.00 0.00 O ATOM 1274 CB ALA A 87 19.048 1.333 2.037 1.00 0.00 C ATOM 0 H ALA A 87 17.601 3.323 2.553 1.00 0.00 H new ATOM 0 HA ALA A 87 17.176 0.778 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.446 0.319 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.365 1.882 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.424 1.835 2.928 1.00 0.00 H new ATOM 1280 N ALA A 88 15.891 -0.118 3.217 1.00 0.00 N ATOM 1281 CA ALA A 88 15.331 -0.833 4.360 1.00 0.00 C ATOM 1282 C ALA A 88 14.944 -2.279 4.078 1.00 0.00 C ATOM 1283 O ALA A 88 15.135 -2.811 2.986 1.00 0.00 O ATOM 1284 CB ALA A 88 14.113 -0.076 4.871 1.00 0.00 C ATOM 0 H ALA A 88 15.319 -0.145 2.373 1.00 0.00 H new ATOM 0 HA ALA A 88 16.123 -0.878 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.689 -0.604 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.410 0.928 5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.367 -0.009 4.079 1.00 0.00 H new ATOM 1290 N LYS A 89 14.359 -2.877 5.109 1.00 0.00 N ATOM 1291 CA LYS A 89 13.866 -4.248 5.068 1.00 0.00 C ATOM 1292 C LYS A 89 12.378 -4.224 5.379 1.00 0.00 C ATOM 1293 O LYS A 89 11.961 -3.509 6.288 1.00 0.00 O ATOM 1294 CB LYS A 89 14.602 -5.123 6.088 1.00 0.00 C ATOM 1295 CG LYS A 89 16.018 -5.490 5.677 1.00 0.00 C ATOM 1296 CD LYS A 89 16.735 -6.249 6.785 1.00 0.00 C ATOM 1297 CE LYS A 89 17.307 -5.302 7.829 1.00 0.00 C ATOM 1298 NZ LYS A 89 16.914 -5.695 9.211 1.00 0.00 N ATOM 0 H LYS A 89 14.212 -2.418 6.008 1.00 0.00 H new ATOM 0 HA LYS A 89 14.042 -4.672 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.636 -4.600 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.031 -6.038 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.991 -6.100 4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.575 -4.585 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.041 -6.941 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.538 -6.848 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.394 -5.289 7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.961 -4.288 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.324 -5.025 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.877 -5.683 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.266 -6.653 9.413 1.00 0.00 H new ATOM 1312 N PHE A 90 11.584 -5.021 4.672 1.00 0.00 N ATOM 1313 CA PHE A 90 10.139 -5.080 4.931 1.00 0.00 C ATOM 1314 C PHE A 90 9.614 -6.505 4.924 1.00 0.00 C ATOM 1315 O PHE A 90 10.144 -7.370 4.228 1.00 0.00 O ATOM 1316 CB PHE A 90 9.326 -4.346 3.859 1.00 0.00 C ATOM 1317 CG PHE A 90 9.549 -2.874 3.725 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.297 -2.160 4.638 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.975 -2.207 2.664 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.475 -0.798 4.493 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.145 -0.846 2.509 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.897 -0.139 3.425 1.00 0.00 C ATOM 0 H PHE A 90 11.906 -5.632 3.921 1.00 0.00 H new ATOM 0 HA PHE A 90 10.020 -4.614 5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.539 -4.810 2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.268 -4.511 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.748 -2.672 5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.385 -2.756 1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.065 -0.249 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.691 -0.336 1.673 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.033 0.926 3.307 1.00 0.00 H new ATOM 1332 N ALA A 91 8.516 -6.718 5.639 1.00 0.00 N ATOM 1333 CA ALA A 91 7.839 -8.000 5.667 1.00 0.00 C ATOM 1334 C ALA A 91 6.410 -7.700 5.262 1.00 0.00 C ATOM 1335 O ALA A 91 5.653 -7.080 6.009 1.00 0.00 O ATOM 1336 CB ALA A 91 7.902 -8.630 7.052 1.00 0.00 C ATOM 0 H ALA A 91 8.073 -6.003 6.215 1.00 0.00 H new ATOM 0 HA ALA A 91 8.307 -8.720 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.385 -9.590 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.943 -8.782 7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.422 -7.970 7.774 1.00 0.00 H new ATOM 1342 N ILE A 92 6.094 -8.036 4.020 1.00 0.00 N ATOM 1343 CA ILE A 92 4.806 -7.696 3.437 1.00 0.00 C ATOM 1344 C ILE A 92 3.811 -8.842 3.324 1.00 0.00 C ATOM 1345 O ILE A 92 4.159 -10.017 3.398 1.00 0.00 O ATOM 1346 CB ILE A 92 5.035 -7.130 2.020 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.189 -6.116 2.025 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.760 -6.527 1.470 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.304 -5.293 0.765 1.00 0.00 C ATOM 0 H ILE A 92 6.717 -8.547 3.394 1.00 0.00 H new ATOM 0 HA ILE A 92 4.364 -6.975 4.125 1.00 0.00 H new ATOM 0 HB ILE A 92 5.319 -7.949 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.061 -5.443 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.126 -6.651 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.945 -6.134 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.987 -7.293 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.429 -5.719 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.144 -4.604 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.466 -5.953 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.385 -4.726 0.615 1.00 0.00 H new ATOM 1361 N ASN A 93 2.556 -8.452 3.098 1.00 0.00 N ATOM 1362 CA ASN A 93 1.458 -9.387 2.909 1.00 0.00 C ATOM 1363 C ASN A 93 0.600 -8.938 1.724 1.00 0.00 C ATOM 1364 O ASN A 93 -0.160 -7.974 1.830 1.00 0.00 O ATOM 1365 CB ASN A 93 0.600 -9.480 4.171 1.00 0.00 C ATOM 1366 CG ASN A 93 1.412 -9.814 5.406 1.00 0.00 C ATOM 1367 OD1 ASN A 93 1.358 -10.933 5.915 1.00 0.00 O ATOM 1368 ND2 ASN A 93 2.167 -8.840 5.897 1.00 0.00 N ATOM 0 H ASN A 93 2.276 -7.473 3.042 1.00 0.00 H new ATOM 0 HA ASN A 93 1.872 -10.374 2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.084 -8.532 4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.167 -10.241 4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.733 -9.004 6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.181 -7.927 5.442 1.00 0.00 H new ATOM 1375 N LEU A 94 0.739 -9.625 0.591 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.012 -9.276 -0.616 1.00 0.00 C ATOM 1377 C LEU A 94 -1.513 -9.415 -0.411 1.00 0.00 C ATOM 1378 O LEU A 94 -1.960 -10.223 0.400 1.00 0.00 O ATOM 1379 CB LEU A 94 0.429 -10.148 -1.792 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.025 -9.667 -3.169 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.623 -8.332 -3.507 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.311 -10.707 -4.228 1.00 0.00 C ATOM 0 H LEU A 94 1.363 -10.425 0.483 1.00 0.00 H new ATOM 0 HA LEU A 94 0.203 -8.231 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.517 -10.211 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.051 -11.158 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.106 -9.528 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.289 -8.004 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.338 -7.590 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.707 -8.444 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.018 -10.351 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.388 -10.873 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.196 -11.643 -3.993 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.287 -8.629 -1.165 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.739 -8.674 -1.073 1.00 0.00 C ATOM 1396 C LYS A 95 -4.388 -8.366 -2.431 1.00 0.00 C ATOM 1397 O LYS A 95 -4.340 -9.187 -3.343 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.249 -7.717 0.013 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.813 -8.096 1.422 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.997 -8.199 2.374 1.00 0.00 C ATOM 1401 CE LYS A 95 -4.879 -7.211 3.523 1.00 0.00 C ATOM 1402 NZ LYS A 95 -5.087 -5.809 3.070 1.00 0.00 N ATOM 0 H LYS A 95 -1.928 -7.957 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.026 -9.686 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.895 -6.710 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.338 -7.687 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.285 -9.049 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.109 -7.353 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.921 -8.013 1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.059 -9.213 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.612 -7.457 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.894 -7.303 3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.999 -5.165 3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.372 -5.565 2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.036 -5.715 2.656 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.035 -7.209 -2.552 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.729 -6.864 -3.786 1.00 0.00 C ATOM 1418 C LYS A 96 -4.778 -6.510 -4.921 1.00 0.00 C ATOM 1419 O LYS A 96 -4.248 -5.401 -4.985 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.694 -5.704 -3.547 1.00 0.00 C ATOM 1421 CG LYS A 96 -7.901 -6.081 -2.704 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.177 -5.456 -3.244 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.956 -4.743 -2.150 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.697 -3.562 -2.673 1.00 0.00 N ATOM 0 H LYS A 96 -5.092 -6.503 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.282 -7.753 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.158 -4.892 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.038 -5.324 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.007 -7.166 -2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.743 -5.756 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.930 -4.749 -4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.801 -6.230 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.659 -5.439 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.270 -4.423 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.215 -3.105 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.024 -2.885 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.371 -3.870 -3.403 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.608 -7.454 -5.841 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.772 -7.265 -7.019 1.00 0.00 C ATOM 1440 C VAL A 97 -4.662 -7.228 -8.260 1.00 0.00 C ATOM 1441 O VAL A 97 -5.248 -8.241 -8.638 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.740 -8.412 -7.153 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.407 -9.766 -6.927 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.038 -8.382 -8.510 1.00 0.00 C ATOM 0 H VAL A 97 -5.047 -8.373 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.228 -6.326 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.982 -8.263 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.665 -10.558 -7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.839 -9.796 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.194 -9.912 -7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.321 -9.201 -8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.777 -8.490 -9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.514 -7.433 -8.628 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.782 -6.057 -8.879 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.629 -5.910 -10.061 1.00 0.00 C ATOM 1456 C GLU A 98 -4.941 -5.065 -11.137 1.00 0.00 C ATOM 1457 O GLU A 98 -3.822 -4.601 -10.943 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.962 -5.286 -9.659 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.648 -6.007 -8.508 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.757 -5.149 -7.260 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -6.708 -4.687 -6.765 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -8.892 -4.939 -6.781 1.00 0.00 O ATOM 0 H GLU A 98 -4.309 -5.202 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.807 -6.898 -10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.797 -4.246 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.627 -5.282 -10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.646 -6.315 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.094 -6.915 -8.272 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.610 -4.884 -12.279 1.00 0.00 N ATOM 1470 CA GLU A 99 -5.041 -4.113 -13.387 1.00 0.00 C ATOM 1471 C GLU A 99 -5.585 -2.692 -13.447 1.00 0.00 C ATOM 1472 O GLU A 99 -6.526 -2.409 -14.185 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.306 -4.818 -14.718 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.443 -4.306 -15.861 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.220 -3.458 -16.847 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.410 -3.761 -17.084 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.641 -2.490 -17.384 1.00 0.00 O ATOM 0 H GLU A 99 -6.541 -5.259 -12.460 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.968 -4.050 -13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.133 -5.887 -14.594 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.356 -4.694 -14.983 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.619 -3.720 -15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.002 -5.154 -16.386 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.960 -1.796 -12.692 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.364 -0.397 -12.675 1.00 0.00 C ATOM 1486 C ARG A 100 -5.168 0.239 -14.047 1.00 0.00 C ATOM 1487 O ARG A 100 -4.171 -0.013 -14.723 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.556 0.369 -11.629 1.00 0.00 C ATOM 1489 CG ARG A 100 -3.068 0.421 -11.936 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.560 1.854 -12.002 1.00 0.00 C ATOM 1491 NE ARG A 100 -3.057 2.557 -13.183 1.00 0.00 N ATOM 1492 CZ ARG A 100 -2.369 3.482 -13.849 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.145 3.825 -13.461 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -2.907 4.067 -14.909 1.00 0.00 N ATOM 0 H ARG A 100 -4.171 -2.015 -12.084 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.422 -0.349 -12.418 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.941 1.386 -11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.703 -0.097 -10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.518 -0.126 -11.170 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.874 -0.079 -12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.869 2.390 -11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.470 1.852 -12.013 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.992 2.324 -13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.724 3.378 -12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.626 4.535 -13.978 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.846 3.808 -15.213 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.382 4.776 -15.421 1.00 0.00 H new