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+ 175:sc= 0.897 (180deg=0.749) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00744 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 0.262 (180deg=0.204) USER MOD Single : A 40 SER OG : rot 180:sc= -0.071 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.269 K(o=-0.27,f=-6!) USER MOD Single : A 51 MET CE :methyl -178:sc= -2.28 (180deg=-2.37) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -6.44 X(o=-6.4,f=-6.8!) 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 8:sc= -0.549 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-3.4!) USER MOD Single : A 82 ASN : amide:sc= -5.87! C(o=-5.9!,f=-2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= -2.71! (180deg=-3.25) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -119:sc= 0.0655 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.107 -0.881 -12.201 1.00 0.00 N ATOM 143 CA GLU A 10 -8.382 -2.140 -12.127 1.00 0.00 C ATOM 144 C GLU A 10 -9.307 -3.346 -12.245 1.00 0.00 C ATOM 145 O GLU A 10 -10.400 -3.373 -11.678 1.00 0.00 O ATOM 146 CB GLU A 10 -7.575 -2.206 -10.832 1.00 0.00 C ATOM 147 CG GLU A 10 -8.431 -2.170 -9.578 1.00 0.00 C ATOM 148 CD GLU A 10 -7.801 -1.352 -8.467 1.00 0.00 C ATOM 149 OE1 GLU A 10 -6.801 -1.817 -7.882 1.00 0.00 O ATOM 150 OE2 GLU A 10 -8.308 -0.246 -8.184 1.00 0.00 O ATOM 0 HA GLU A 10 -7.701 -2.177 -12.977 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.981 -3.120 -10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.875 -1.371 -10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.409 -1.754 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.597 -3.188 -9.226 1.00 0.00 H new ATOM 157 N LYS A 11 -8.848 -4.346 -12.997 1.00 0.00 N ATOM 158 CA LYS A 11 -9.611 -5.572 -13.213 1.00 0.00 C ATOM 159 C LYS A 11 -9.813 -6.329 -11.899 1.00 0.00 C ATOM 160 O LYS A 11 -9.702 -5.751 -10.818 1.00 0.00 O ATOM 161 CB LYS A 11 -8.891 -6.461 -14.234 1.00 0.00 C ATOM 162 CG LYS A 11 -8.496 -5.733 -15.509 1.00 0.00 C ATOM 163 CD LYS A 11 -7.620 -6.601 -16.398 1.00 0.00 C ATOM 164 CE LYS A 11 -7.879 -6.333 -17.873 1.00 0.00 C ATOM 165 NZ LYS A 11 -6.774 -6.836 -18.736 1.00 0.00 N ATOM 0 H LYS A 11 -7.944 -4.329 -13.470 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.593 -5.304 -13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.996 -6.878 -13.772 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.537 -7.300 -14.491 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.393 -5.440 -16.055 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.964 -4.816 -15.256 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.571 -6.412 -16.172 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.808 -7.652 -16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.814 -6.808 -18.169 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.002 -5.261 -18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.029 -6.709 -19.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.904 -6.305 -18.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.616 -7.846 -18.544 1.00 0.00 H new ATOM 179 N ASP A 12 -10.116 -7.622 -11.998 1.00 0.00 N ATOM 180 CA ASP A 12 -10.333 -8.449 -10.816 1.00 0.00 C ATOM 181 C ASP A 12 -9.515 -9.739 -10.886 1.00 0.00 C ATOM 182 O ASP A 12 -9.861 -10.735 -10.250 1.00 0.00 O ATOM 183 CB ASP A 12 -11.821 -8.780 -10.671 1.00 0.00 C ATOM 184 CG ASP A 12 -12.329 -8.576 -9.256 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.519 -8.693 -8.313 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.536 -8.301 -9.094 1.00 0.00 O ATOM 0 H ASP A 12 -10.216 -8.118 -12.884 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.003 -7.884 -9.944 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.397 -8.155 -11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.990 -9.815 -10.968 1.00 0.00 H new ATOM 191 N GLY A 13 -8.439 -9.714 -11.666 1.00 0.00 N ATOM 192 CA GLY A 13 -7.596 -10.890 -11.808 1.00 0.00 C ATOM 193 C GLY A 13 -6.225 -10.709 -11.186 1.00 0.00 C ATOM 194 O GLY A 13 -6.053 -9.915 -10.262 1.00 0.00 O ATOM 0 H GLY A 13 -8.135 -8.902 -12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.090 -11.744 -11.345 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.482 -11.124 -12.866 1.00 0.00 H new ATOM 198 N ALA A 14 -5.247 -11.452 -11.695 1.00 0.00 N ATOM 199 CA ALA A 14 -3.877 -11.383 -11.190 1.00 0.00 C ATOM 200 C ALA A 14 -3.227 -10.038 -11.521 1.00 0.00 C ATOM 201 O ALA A 14 -3.884 -9.130 -12.024 1.00 0.00 O ATOM 202 CB ALA A 14 -3.056 -12.527 -11.765 1.00 0.00 C ATOM 0 H ALA A 14 -5.378 -12.113 -12.461 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.909 -11.475 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.036 -12.470 -11.385 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.500 -13.478 -11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.042 -12.454 -12.852 1.00 0.00 H new ATOM 208 N VAL A 15 -1.921 -9.939 -11.277 1.00 0.00 N ATOM 209 CA VAL A 15 -1.171 -8.725 -11.601 1.00 0.00 C ATOM 210 C VAL A 15 -1.092 -8.530 -13.110 1.00 0.00 C ATOM 211 O VAL A 15 -1.165 -9.499 -13.864 1.00 0.00 O ATOM 212 CB VAL A 15 0.254 -8.763 -11.019 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.041 -9.937 -11.582 1.00 0.00 C ATOM 214 CG2 VAL A 15 0.983 -7.451 -11.276 1.00 0.00 C ATOM 0 H VAL A 15 -1.361 -10.682 -10.858 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.706 -7.889 -11.151 1.00 0.00 H new ATOM 0 HB VAL A 15 0.171 -8.898 -9.941 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.044 -9.941 -11.155 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.535 -10.869 -11.329 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.109 -9.843 -12.666 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.987 -7.504 -10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.049 -7.276 -12.350 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.436 -6.633 -10.807 1.00 0.00 H new ATOM 224 N GLU A 16 -0.916 -7.292 -13.560 1.00 0.00 N ATOM 225 CA GLU A 16 -0.798 -7.017 -14.982 1.00 0.00 C ATOM 226 C GLU A 16 0.358 -6.050 -15.234 1.00 0.00 C ATOM 227 O GLU A 16 0.817 -5.371 -14.316 1.00 0.00 O ATOM 228 CB GLU A 16 -2.100 -6.441 -15.532 1.00 0.00 C ATOM 229 CG GLU A 16 -3.178 -7.487 -15.768 1.00 0.00 C ATOM 230 CD GLU A 16 -3.853 -7.929 -14.483 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.725 -7.209 -13.469 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.510 -8.991 -14.492 1.00 0.00 O ATOM 0 H GLU A 16 -0.853 -6.469 -12.961 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.595 -7.955 -15.500 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.479 -5.692 -14.836 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.892 -5.928 -16.471 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.928 -7.083 -16.448 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.736 -8.354 -16.259 1.00 0.00 H new ATOM 239 N ALA A 17 0.845 -6.038 -16.472 1.00 0.00 N ATOM 240 CA ALA A 17 1.986 -5.200 -16.864 1.00 0.00 C ATOM 241 C ALA A 17 2.205 -4.031 -15.899 1.00 0.00 C ATOM 242 O ALA A 17 3.148 -4.049 -15.107 1.00 0.00 O ATOM 243 CB ALA A 17 1.789 -4.679 -18.277 1.00 0.00 C ATOM 0 H ALA A 17 0.466 -6.604 -17.231 1.00 0.00 H new ATOM 0 HA ALA A 17 2.878 -5.826 -16.825 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.640 -4.059 -18.558 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.709 -5.519 -18.967 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.877 -4.084 -18.322 1.00 0.00 H new ATOM 249 N GLU A 18 1.354 -3.014 -15.970 1.00 0.00 N ATOM 250 CA GLU A 18 1.493 -1.850 -15.097 1.00 0.00 C ATOM 251 C GLU A 18 0.274 -1.698 -14.190 1.00 0.00 C ATOM 252 O GLU A 18 -0.533 -0.785 -14.361 1.00 0.00 O ATOM 253 CB GLU A 18 1.686 -0.582 -15.935 1.00 0.00 C ATOM 254 CG GLU A 18 3.011 -0.540 -16.679 1.00 0.00 C ATOM 255 CD GLU A 18 3.081 0.599 -17.678 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.873 1.760 -17.268 1.00 0.00 O ATOM 257 OE2 GLU A 18 3.341 0.327 -18.869 1.00 0.00 O ATOM 0 H GLU A 18 0.566 -2.969 -16.616 1.00 0.00 H new ATOM 0 HA GLU A 18 2.370 -2.000 -14.468 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.872 -0.505 -16.656 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.617 0.289 -15.283 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.824 -0.439 -15.960 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.161 -1.486 -17.200 1.00 0.00 H new ATOM 264 N ASP A 19 0.135 -2.622 -13.235 1.00 0.00 N ATOM 265 CA ASP A 19 -1.000 -2.612 -12.313 1.00 0.00 C ATOM 266 C ASP A 19 -0.644 -2.024 -10.938 1.00 0.00 C ATOM 267 O ASP A 19 0.427 -1.447 -10.754 1.00 0.00 O ATOM 268 CB ASP A 19 -1.563 -4.037 -12.180 1.00 0.00 C ATOM 269 CG ASP A 19 -1.073 -4.794 -10.958 1.00 0.00 C ATOM 270 OD1 ASP A 19 0.088 -4.596 -10.559 1.00 0.00 O ATOM 271 OD2 ASP A 19 -1.857 -5.595 -10.404 1.00 0.00 O ATOM 0 H ASP A 19 0.794 -3.385 -13.082 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.764 -1.956 -12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.651 -3.983 -12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.299 -4.604 -13.073 1.00 0.00 H new ATOM 276 N ARG A 20 -1.560 -2.194 -9.976 1.00 0.00 N ATOM 277 CA ARG A 20 -1.364 -1.707 -8.608 1.00 0.00 C ATOM 278 C ARG A 20 -1.959 -2.708 -7.615 1.00 0.00 C ATOM 279 O ARG A 20 -3.176 -2.886 -7.558 1.00 0.00 O ATOM 280 CB ARG A 20 -2.014 -0.327 -8.413 1.00 0.00 C ATOM 281 CG ARG A 20 -1.031 0.783 -8.048 1.00 0.00 C ATOM 282 CD ARG A 20 -0.930 1.837 -9.146 1.00 0.00 C ATOM 283 NE ARG A 20 -1.467 3.134 -8.735 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.745 4.249 -8.631 1.00 0.00 C ATOM 285 NH1 ARG A 20 0.551 4.246 -8.906 1.00 0.00 N ATOM 286 NH2 ARG A 20 -1.331 5.378 -8.256 1.00 0.00 N ATOM 0 H ARG A 20 -2.450 -2.669 -10.124 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.294 -1.606 -8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.533 -0.050 -9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.768 -0.401 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.347 1.256 -7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.047 0.351 -7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.114 1.956 -9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.467 1.489 -10.028 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.461 3.189 -8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.008 3.383 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.092 5.107 -8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.330 5.390 -8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.783 6.234 -8.175 1.00 0.00 H new ATOM 300 N VAL A 21 -1.103 -3.353 -6.825 1.00 0.00 N ATOM 301 CA VAL A 21 -1.556 -4.327 -5.830 1.00 0.00 C ATOM 302 C VAL A 21 -1.771 -3.671 -4.463 1.00 0.00 C ATOM 303 O VAL A 21 -1.316 -2.552 -4.225 1.00 0.00 O ATOM 304 CB VAL A 21 -0.534 -5.476 -5.663 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.385 -6.280 -6.947 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.812 -4.929 -5.225 1.00 0.00 C ATOM 0 H VAL A 21 -0.092 -3.220 -6.853 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.502 -4.727 -6.196 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.912 -6.146 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.341 -7.079 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.348 -6.712 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.041 -5.626 -7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.519 -5.751 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.183 -4.231 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.702 -4.412 -4.272 1.00 0.00 H new ATOM 316 N THR A 22 -2.435 -4.390 -3.555 1.00 0.00 N ATOM 317 CA THR A 22 -2.665 -3.892 -2.202 1.00 0.00 C ATOM 318 C THR A 22 -1.908 -4.770 -1.215 1.00 0.00 C ATOM 319 O THR A 22 -2.213 -5.951 -1.069 1.00 0.00 O ATOM 320 CB THR A 22 -4.157 -3.889 -1.859 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.879 -3.071 -2.764 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.440 -3.392 -0.456 1.00 0.00 C ATOM 0 H THR A 22 -2.821 -5.317 -3.734 1.00 0.00 H new ATOM 0 HA THR A 22 -2.306 -2.865 -2.141 1.00 0.00 H new ATOM 0 HB THR A 22 -4.477 -4.928 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.830 -3.084 -2.529 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.514 -3.413 -0.272 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.936 -4.034 0.266 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.074 -2.371 -0.351 1.00 0.00 H new ATOM 330 N ILE A 23 -0.895 -4.211 -0.565 1.00 0.00 N ATOM 331 CA ILE A 23 -0.089 -4.989 0.367 1.00 0.00 C ATOM 332 C ILE A 23 0.093 -4.304 1.723 1.00 0.00 C ATOM 333 O ILE A 23 0.155 -3.078 1.815 1.00 0.00 O ATOM 334 CB ILE A 23 1.303 -5.266 -0.231 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.970 -3.963 -0.662 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.203 -6.227 -1.406 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.425 -3.885 -0.266 1.00 0.00 C ATOM 0 H ILE A 23 -0.615 -3.235 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.634 -5.919 0.531 1.00 0.00 H new ATOM 0 HB ILE A 23 1.918 -5.731 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.888 -3.860 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.434 -3.123 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.198 -6.409 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.771 -7.169 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.569 -5.792 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.843 -2.935 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.511 -3.958 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.973 -4.706 -0.729 1.00 0.00 H new ATOM 349 N ASP A 24 0.221 -5.127 2.765 1.00 0.00 N ATOM 350 CA ASP A 24 0.448 -4.651 4.130 1.00 0.00 C ATOM 351 C ASP A 24 1.794 -5.193 4.611 1.00 0.00 C ATOM 352 O ASP A 24 2.050 -6.391 4.487 1.00 0.00 O ATOM 353 CB ASP A 24 -0.663 -5.135 5.070 1.00 0.00 C ATOM 354 CG ASP A 24 -0.980 -6.604 4.890 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.412 -6.989 3.784 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.797 -7.374 5.857 1.00 0.00 O ATOM 0 H ASP A 24 0.170 -6.143 2.686 1.00 0.00 H new ATOM 0 HA ASP A 24 0.447 -3.561 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.364 -4.956 6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.564 -4.548 4.893 1.00 0.00 H new ATOM 361 N PHE A 25 2.666 -4.334 5.134 1.00 0.00 N ATOM 362 CA PHE A 25 3.977 -4.801 5.583 1.00 0.00 C ATOM 363 C PHE A 25 4.474 -4.093 6.832 1.00 0.00 C ATOM 364 O PHE A 25 3.930 -3.075 7.255 1.00 0.00 O ATOM 365 CB PHE A 25 5.006 -4.632 4.467 1.00 0.00 C ATOM 366 CG PHE A 25 5.352 -3.199 4.156 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.103 -2.434 5.038 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.921 -2.617 2.977 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.414 -1.118 4.746 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.227 -1.304 2.684 1.00 0.00 C ATOM 371 CZ PHE A 25 5.972 -0.555 3.566 1.00 0.00 C ATOM 0 H PHE A 25 2.497 -3.336 5.256 1.00 0.00 H new ATOM 0 HA PHE A 25 3.854 -5.854 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.917 -5.162 4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.625 -5.106 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.449 -2.871 5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.338 -3.198 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.001 -0.533 5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.881 -0.863 1.761 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.211 0.473 3.335 1.00 0.00 H new ATOM 381 N THR A 26 5.528 -4.659 7.409 1.00 0.00 N ATOM 382 CA THR A 26 6.143 -4.108 8.616 1.00 0.00 C ATOM 383 C THR A 26 7.649 -4.388 8.640 1.00 0.00 C ATOM 384 O THR A 26 8.070 -5.542 8.683 1.00 0.00 O ATOM 385 CB THR A 26 5.489 -4.707 9.861 1.00 0.00 C ATOM 386 OG1 THR A 26 4.091 -4.473 9.859 1.00 0.00 O ATOM 387 CG2 THR A 26 6.049 -4.151 11.151 1.00 0.00 C ATOM 0 H THR A 26 5.978 -5.505 7.059 1.00 0.00 H new ATOM 0 HA THR A 26 5.990 -3.029 8.611 1.00 0.00 H new ATOM 0 HB THR A 26 5.706 -5.774 9.818 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.692 -4.866 10.663 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.544 -4.616 11.997 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.117 -4.363 11.205 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.891 -3.073 11.182 1.00 0.00 H new ATOM 395 N GLY A 27 8.458 -3.327 8.611 1.00 0.00 N ATOM 396 CA GLY A 27 9.903 -3.502 8.631 1.00 0.00 C ATOM 397 C GLY A 27 10.662 -2.230 8.965 1.00 0.00 C ATOM 398 O GLY A 27 10.082 -1.151 9.037 1.00 0.00 O ATOM 0 H GLY A 27 8.141 -2.358 8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.158 -4.270 9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.231 -3.866 7.657 1.00 0.00 H new ATOM 402 N SER A 28 11.967 -2.374 9.169 1.00 0.00 N ATOM 403 CA SER A 28 12.833 -1.241 9.495 1.00 0.00 C ATOM 404 C SER A 28 13.773 -0.915 8.339 1.00 0.00 C ATOM 405 O SER A 28 13.711 -1.538 7.280 1.00 0.00 O ATOM 406 CB SER A 28 13.656 -1.550 10.750 1.00 0.00 C ATOM 407 OG SER A 28 13.657 -2.940 11.028 1.00 0.00 O ATOM 0 H SER A 28 12.453 -3.269 9.114 1.00 0.00 H new ATOM 0 HA SER A 28 12.196 -0.376 9.679 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.680 -1.202 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.246 -1.006 11.601 1.00 0.00 H new ATOM 0 HG SER A 28 14.190 -3.112 11.832 1.00 0.00 H new ATOM 413 N VAL A 29 14.655 0.058 8.567 1.00 0.00 N ATOM 414 CA VAL A 29 15.629 0.473 7.563 1.00 0.00 C ATOM 415 C VAL A 29 17.057 0.266 8.070 1.00 0.00 C ATOM 416 O VAL A 29 17.717 -0.697 7.682 1.00 0.00 O ATOM 417 CB VAL A 29 15.391 1.941 7.110 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.124 2.859 8.298 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.551 2.465 6.269 1.00 0.00 C ATOM 0 H VAL A 29 14.713 0.575 9.444 1.00 0.00 H new ATOM 0 HA VAL A 29 15.493 -0.159 6.685 1.00 0.00 H new ATOM 0 HB VAL A 29 14.499 1.940 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.962 3.877 7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.237 2.516 8.831 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.981 2.842 8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.349 3.494 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.470 2.431 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.665 1.845 5.380 1.00 0.00 H new ATOM 429 N ASP A 30 17.527 1.150 8.939 1.00 0.00 N ATOM 430 CA ASP A 30 18.867 1.028 9.491 1.00 0.00 C ATOM 431 C ASP A 30 18.817 0.313 10.836 1.00 0.00 C ATOM 432 O ASP A 30 19.522 0.684 11.776 1.00 0.00 O ATOM 433 CB ASP A 30 19.511 2.406 9.648 1.00 0.00 C ATOM 434 CG ASP A 30 20.944 2.430 9.156 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.227 1.788 8.122 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.783 3.091 9.803 1.00 0.00 O ATOM 0 H ASP A 30 17.001 1.957 9.276 1.00 0.00 H new ATOM 0 HA ASP A 30 19.474 0.441 8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.927 3.143 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.484 2.700 10.697 1.00 0.00 H new ATOM 441 N GLY A 31 17.960 -0.703 10.928 1.00 0.00 N ATOM 442 CA GLY A 31 17.814 -1.439 12.167 1.00 0.00 C ATOM 443 C GLY A 31 16.642 -0.935 12.989 1.00 0.00 C ATOM 444 O GLY A 31 16.191 -1.603 13.919 1.00 0.00 O ATOM 0 H GLY A 31 17.366 -1.027 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.675 -2.497 11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.731 -1.353 12.751 1.00 0.00 H new ATOM 448 N GLU A 32 16.146 0.249 12.636 1.00 0.00 N ATOM 449 CA GLU A 32 15.018 0.851 13.334 1.00 0.00 C ATOM 450 C GLU A 32 13.929 1.250 12.344 1.00 0.00 C ATOM 451 O GLU A 32 14.182 1.976 11.383 1.00 0.00 O ATOM 452 CB GLU A 32 15.481 2.070 14.131 1.00 0.00 C ATOM 453 CG GLU A 32 16.536 1.744 15.174 1.00 0.00 C ATOM 454 CD GLU A 32 16.782 2.890 16.134 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.560 3.802 15.781 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.198 2.877 17.237 1.00 0.00 O ATOM 0 H GLU A 32 16.511 0.811 11.867 1.00 0.00 H new ATOM 0 HA GLU A 32 14.605 0.116 14.025 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.880 2.815 13.442 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.620 2.521 14.625 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.225 0.864 15.737 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.470 1.488 14.673 1.00 0.00 H new ATOM 463 N GLU A 33 12.718 0.763 12.584 1.00 0.00 N ATOM 464 CA GLU A 33 11.592 1.055 11.721 1.00 0.00 C ATOM 465 C GLU A 33 11.218 2.518 11.811 1.00 0.00 C ATOM 466 O GLU A 33 10.899 3.030 12.884 1.00 0.00 O ATOM 467 CB GLU A 33 10.396 0.174 12.088 1.00 0.00 C ATOM 468 CG GLU A 33 10.018 0.234 13.559 1.00 0.00 C ATOM 469 CD GLU A 33 8.550 -0.060 13.791 1.00 0.00 C ATOM 470 OE1 GLU A 33 7.969 -0.839 13.004 1.00 0.00 O ATOM 471 OE2 GLU A 33 7.980 0.487 14.758 1.00 0.00 O ATOM 0 H GLU A 33 12.495 0.160 13.376 1.00 0.00 H new ATOM 0 HA GLU A 33 11.881 0.837 10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.537 0.476 11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.622 -0.859 11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.622 -0.483 14.116 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.254 1.223 13.952 1.00 0.00 H new ATOM 478 N PHE A 34 11.298 3.197 10.683 1.00 0.00 N ATOM 479 CA PHE A 34 11.011 4.631 10.605 1.00 0.00 C ATOM 480 C PHE A 34 9.514 4.927 10.484 1.00 0.00 C ATOM 481 O PHE A 34 8.693 4.316 11.169 1.00 0.00 O ATOM 482 CB PHE A 34 11.796 5.232 9.424 1.00 0.00 C ATOM 483 CG PHE A 34 11.281 4.858 8.051 1.00 0.00 C ATOM 484 CD1 PHE A 34 10.724 3.610 7.796 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.363 5.768 7.009 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.262 3.284 6.536 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.901 5.444 5.745 1.00 0.00 C ATOM 488 CZ PHE A 34 10.351 4.201 5.510 1.00 0.00 C ATOM 0 H PHE A 34 11.563 2.778 9.791 1.00 0.00 H new ATOM 0 HA PHE A 34 11.331 5.096 11.537 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.784 6.318 9.516 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.837 4.917 9.502 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.652 2.886 8.594 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.793 6.743 7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.831 2.311 6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.971 6.164 4.943 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.991 3.946 4.524 1.00 0.00 H new ATOM 498 N GLU A 35 9.168 5.850 9.598 1.00 0.00 N ATOM 499 CA GLU A 35 7.776 6.223 9.361 1.00 0.00 C ATOM 500 C GLU A 35 7.025 5.101 8.654 1.00 0.00 C ATOM 501 O GLU A 35 5.981 4.646 9.121 1.00 0.00 O ATOM 502 CB GLU A 35 7.697 7.498 8.517 1.00 0.00 C ATOM 503 CG GLU A 35 8.549 8.638 9.045 1.00 0.00 C ATOM 504 CD GLU A 35 8.606 9.814 8.089 1.00 0.00 C ATOM 505 OE1 GLU A 35 7.547 10.423 7.833 1.00 0.00 O ATOM 506 OE2 GLU A 35 9.710 10.124 7.595 1.00 0.00 O ATOM 0 H GLU A 35 9.839 6.361 9.024 1.00 0.00 H new ATOM 0 HA GLU A 35 7.311 6.404 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.007 7.267 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.659 7.826 8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.150 8.972 10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.560 8.276 9.230 1.00 0.00 H new ATOM 513 N GLY A 36 7.571 4.660 7.521 1.00 0.00 N ATOM 514 CA GLY A 36 6.949 3.593 6.756 1.00 0.00 C ATOM 515 C GLY A 36 7.234 2.221 7.331 1.00 0.00 C ATOM 516 O GLY A 36 6.989 1.208 6.680 1.00 0.00 O ATOM 0 H GLY A 36 8.435 5.025 7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.871 3.753 6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.306 3.633 5.727 1.00 0.00 H new ATOM 520 N GLY A 37 7.753 2.184 8.555 1.00 0.00 N ATOM 521 CA GLY A 37 8.058 0.921 9.190 1.00 0.00 C ATOM 522 C GLY A 37 6.856 -0.001 9.289 1.00 0.00 C ATOM 523 O GLY A 37 7.001 -1.181 9.605 1.00 0.00 O ATOM 0 H GLY A 37 7.967 3.009 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.847 0.420 8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.448 1.109 10.190 1.00 0.00 H new ATOM 527 N LYS A 38 5.669 0.532 9.016 1.00 0.00 N ATOM 528 CA LYS A 38 4.451 -0.260 9.074 1.00 0.00 C ATOM 529 C LYS A 38 3.446 0.216 8.033 1.00 0.00 C ATOM 530 O LYS A 38 3.143 1.405 7.938 1.00 0.00 O ATOM 531 CB LYS A 38 3.832 -0.193 10.469 1.00 0.00 C ATOM 532 CG LYS A 38 4.036 -1.463 11.280 1.00 0.00 C ATOM 533 CD LYS A 38 4.847 -1.202 12.537 1.00 0.00 C ATOM 534 CE LYS A 38 4.145 -0.212 13.450 1.00 0.00 C ATOM 535 NZ LYS A 38 4.892 0.000 14.721 1.00 0.00 N ATOM 0 H LYS A 38 5.528 1.507 8.753 1.00 0.00 H new ATOM 0 HA LYS A 38 4.712 -1.295 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.264 0.649 11.010 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.764 0.002 10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.067 -1.881 11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.543 -2.208 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.009 -2.139 13.069 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.829 -0.816 12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.031 0.741 12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.142 -0.574 13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.509 0.831 15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.791 -0.839 15.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.898 0.156 14.510 1.00 0.00 H new ATOM 549 N ALA A 39 2.928 -0.729 7.260 1.00 0.00 N ATOM 550 CA ALA A 39 1.949 -0.428 6.226 1.00 0.00 C ATOM 551 C ALA A 39 0.865 -1.493 6.192 1.00 0.00 C ATOM 552 O ALA A 39 1.138 -2.678 6.380 1.00 0.00 O ATOM 553 CB ALA A 39 2.619 -0.311 4.865 1.00 0.00 C ATOM 0 H ALA A 39 3.172 -1.717 7.331 1.00 0.00 H new ATOM 0 HA ALA A 39 1.488 0.530 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.868 -0.086 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.359 0.489 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.111 -1.252 4.619 1.00 0.00 H new ATOM 559 N SER A 40 -0.366 -1.069 5.954 1.00 0.00 N ATOM 560 CA SER A 40 -1.491 -1.990 5.898 1.00 0.00 C ATOM 561 C SER A 40 -2.107 -2.006 4.507 1.00 0.00 C ATOM 562 O SER A 40 -2.115 -3.030 3.826 1.00 0.00 O ATOM 563 CB SER A 40 -2.549 -1.603 6.931 1.00 0.00 C ATOM 564 OG SER A 40 -2.955 -0.255 6.766 1.00 0.00 O ATOM 0 H SER A 40 -0.612 -0.092 5.796 1.00 0.00 H new ATOM 0 HA SER A 40 -1.121 -2.990 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.413 -2.261 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.150 -1.745 7.935 1.00 0.00 H new ATOM 0 HG SER A 40 -3.633 -0.033 7.438 1.00 0.00 H new ATOM 570 N ASP A 41 -2.565 -0.850 4.061 1.00 0.00 N ATOM 571 CA ASP A 41 -3.119 -0.696 2.734 1.00 0.00 C ATOM 572 C ASP A 41 -2.086 -0.009 1.858 1.00 0.00 C ATOM 573 O ASP A 41 -2.260 1.149 1.479 1.00 0.00 O ATOM 574 CB ASP A 41 -4.413 0.118 2.778 1.00 0.00 C ATOM 575 CG ASP A 41 -4.277 1.371 3.622 1.00 0.00 C ATOM 576 OD1 ASP A 41 -3.175 1.958 3.640 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.273 1.764 4.267 1.00 0.00 O ATOM 0 H ASP A 41 -2.562 0.008 4.612 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.361 -1.676 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.700 0.395 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.216 -0.501 3.178 1.00 0.00 H new ATOM 582 N PHE A 42 -1.017 -0.710 1.530 1.00 0.00 N ATOM 583 CA PHE A 42 0.022 -0.130 0.692 1.00 0.00 C ATOM 584 C PHE A 42 -0.235 -0.470 -0.766 1.00 0.00 C ATOM 585 O PHE A 42 -0.010 -1.599 -1.200 1.00 0.00 O ATOM 586 CB PHE A 42 1.410 -0.618 1.117 1.00 0.00 C ATOM 587 CG PHE A 42 2.534 0.186 0.525 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.461 1.568 0.472 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.661 -0.439 0.016 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.490 2.312 -0.074 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.693 0.299 -0.533 1.00 0.00 C ATOM 592 CZ PHE A 42 4.608 1.676 -0.576 1.00 0.00 C ATOM 0 H PHE A 42 -0.844 -1.671 1.826 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.005 0.953 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.482 -0.583 2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.526 -1.661 0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.589 2.071 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.734 -1.516 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.420 3.389 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.565 -0.201 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.414 2.255 -1.001 1.00 0.00 H new ATOM 602 N VAL A 43 -0.714 0.512 -1.518 1.00 0.00 N ATOM 603 CA VAL A 43 -1.007 0.319 -2.923 1.00 0.00 C ATOM 604 C VAL A 43 0.264 0.380 -3.760 1.00 0.00 C ATOM 605 O VAL A 43 0.763 1.459 -4.080 1.00 0.00 O ATOM 606 CB VAL A 43 -2.009 1.378 -3.414 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.413 2.776 -3.331 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.476 1.066 -4.828 1.00 0.00 C ATOM 0 H VAL A 43 -0.907 1.452 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.450 -0.670 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.879 1.348 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.143 3.504 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.150 2.998 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.519 2.828 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.184 1.828 -5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.618 1.056 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.961 0.090 -4.844 1.00 0.00 H new ATOM 618 N LEU A 44 0.788 -0.786 -4.109 1.00 0.00 N ATOM 619 CA LEU A 44 1.999 -0.862 -4.907 1.00 0.00 C ATOM 620 C LEU A 44 1.653 -0.883 -6.387 1.00 0.00 C ATOM 621 O LEU A 44 0.699 -1.535 -6.797 1.00 0.00 O ATOM 622 CB LEU A 44 2.814 -2.102 -4.535 1.00 0.00 C ATOM 623 CG LEU A 44 4.296 -1.835 -4.275 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.057 -3.137 -4.122 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.893 -1.003 -5.401 1.00 0.00 C ATOM 0 H LEU A 44 0.393 -1.690 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 44 2.604 0.021 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.378 -2.553 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.726 -2.833 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 44 4.383 -1.275 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.110 -2.924 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.649 -3.701 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.960 -3.724 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.949 -0.822 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.790 -1.540 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.368 -0.050 -5.467 1.00 0.00 H new ATOM 637 N ALA A 45 2.432 -0.163 -7.179 1.00 0.00 N ATOM 638 CA ALA A 45 2.207 -0.092 -8.617 1.00 0.00 C ATOM 639 C ALA A 45 3.216 -0.944 -9.374 1.00 0.00 C ATOM 640 O ALA A 45 4.383 -0.572 -9.499 1.00 0.00 O ATOM 641 CB ALA A 45 2.284 1.346 -9.086 1.00 0.00 C ATOM 0 H ALA A 45 3.229 0.383 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 45 1.211 -0.483 -8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.114 1.387 -10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.523 1.936 -8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.270 1.751 -8.858 1.00 0.00 H new ATOM 647 N MET A 46 2.767 -2.085 -9.882 1.00 0.00 N ATOM 648 CA MET A 46 3.647 -2.974 -10.624 1.00 0.00 C ATOM 649 C MET A 46 4.006 -2.375 -11.976 1.00 0.00 C ATOM 650 O MET A 46 3.369 -2.665 -12.987 1.00 0.00 O ATOM 651 CB MET A 46 2.994 -4.341 -10.804 1.00 0.00 C ATOM 652 CG MET A 46 3.668 -5.438 -9.999 1.00 0.00 C ATOM 653 SD MET A 46 5.402 -5.659 -10.437 1.00 0.00 S ATOM 654 CE MET A 46 5.257 -6.798 -11.811 1.00 0.00 C ATOM 0 H MET A 46 1.805 -2.413 -9.794 1.00 0.00 H new ATOM 0 HA MET A 46 4.566 -3.100 -10.052 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.946 -4.277 -10.512 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.014 -4.610 -11.860 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.593 -5.202 -8.938 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.136 -6.376 -10.155 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.250 -7.034 -12.195 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.771 -7.714 -11.475 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.662 -6.341 -12.601 1.00 0.00 H new ATOM 664 N GLY A 47 5.039 -1.539 -11.972 1.00 0.00 N ATOM 665 CA GLY A 47 5.494 -0.896 -13.191 1.00 0.00 C ATOM 666 C GLY A 47 5.028 0.544 -13.304 1.00 0.00 C ATOM 667 O GLY A 47 4.253 0.881 -14.199 1.00 0.00 O ATOM 0 H GLY A 47 5.573 -1.294 -11.138 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.583 -0.925 -13.227 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.131 -1.459 -14.051 1.00 0.00 H new ATOM 671 N GLN A 48 5.505 1.395 -12.401 1.00 0.00 N ATOM 672 CA GLN A 48 5.139 2.808 -12.408 1.00 0.00 C ATOM 673 C GLN A 48 6.386 3.682 -12.470 1.00 0.00 C ATOM 674 O GLN A 48 6.633 4.360 -13.468 1.00 0.00 O ATOM 675 CB GLN A 48 4.313 3.155 -11.166 1.00 0.00 C ATOM 676 CG GLN A 48 3.548 4.465 -11.285 1.00 0.00 C ATOM 677 CD GLN A 48 4.211 5.599 -10.528 1.00 0.00 C ATOM 678 OE1 GLN A 48 5.424 5.793 -10.610 1.00 0.00 O ATOM 679 NE2 GLN A 48 3.415 6.361 -9.786 1.00 0.00 N ATOM 0 H GLN A 48 6.147 1.131 -11.654 1.00 0.00 H new ATOM 0 HA GLN A 48 4.534 3.000 -13.294 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.606 2.348 -10.974 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.977 3.209 -10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.462 4.737 -12.337 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.535 4.325 -10.908 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.415 6.166 -9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.804 7.141 -9.257 1.00 0.00 H new ATOM 688 N GLY A 49 7.175 3.652 -11.401 1.00 0.00 N ATOM 689 CA GLY A 49 8.395 4.437 -11.354 1.00 0.00 C ATOM 690 C GLY A 49 9.623 3.596 -11.644 1.00 0.00 C ATOM 691 O GLY A 49 10.380 3.882 -12.571 1.00 0.00 O ATOM 0 H GLY A 49 6.991 3.097 -10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.332 5.249 -12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.494 4.895 -10.370 1.00 0.00 H new ATOM 695 N ARG A 50 9.811 2.551 -10.843 1.00 0.00 N ATOM 696 CA ARG A 50 10.947 1.650 -11.000 1.00 0.00 C ATOM 697 C ARG A 50 10.926 0.567 -9.924 1.00 0.00 C ATOM 698 O ARG A 50 11.778 0.543 -9.035 1.00 0.00 O ATOM 699 CB ARG A 50 12.263 2.425 -10.930 1.00 0.00 C ATOM 700 CG ARG A 50 12.487 3.123 -9.599 1.00 0.00 C ATOM 701 CD ARG A 50 13.877 2.845 -9.050 1.00 0.00 C ATOM 702 NE ARG A 50 14.915 3.106 -10.042 1.00 0.00 N ATOM 703 CZ ARG A 50 15.203 4.317 -10.515 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.550 5.385 -10.073 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.155 4.462 -11.427 1.00 0.00 N ATOM 0 H ARG A 50 9.187 2.307 -10.074 1.00 0.00 H new ATOM 0 HA ARG A 50 10.869 1.176 -11.979 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.090 1.739 -11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.281 3.167 -11.728 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.352 4.197 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.738 2.789 -8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.051 3.465 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.938 1.806 -8.725 1.00 0.00 H new ATOM 0 HE ARG A 50 15.452 2.313 -10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.822 5.281 -9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.776 6.309 -10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.666 3.646 -11.765 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.376 5.389 -11.790 1.00 0.00 H new ATOM 719 N MET A 51 9.947 -0.329 -10.009 1.00 0.00 N ATOM 720 CA MET A 51 9.815 -1.411 -9.039 1.00 0.00 C ATOM 721 C MET A 51 11.150 -2.121 -8.823 1.00 0.00 C ATOM 722 O MET A 51 11.666 -2.787 -9.720 1.00 0.00 O ATOM 723 CB MET A 51 8.757 -2.413 -9.501 1.00 0.00 C ATOM 724 CG MET A 51 7.966 -3.027 -8.358 1.00 0.00 C ATOM 725 SD MET A 51 6.325 -2.300 -8.175 1.00 0.00 S ATOM 726 CE MET A 51 6.743 -0.593 -7.825 1.00 0.00 C ATOM 0 H MET A 51 9.234 -0.327 -10.739 1.00 0.00 H new ATOM 0 HA MET A 51 9.502 -0.976 -8.090 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.068 -1.914 -10.183 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.243 -3.209 -10.065 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.867 -4.099 -8.526 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.521 -2.900 -7.428 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.830 -0.023 -7.652 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.373 -0.547 -6.937 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.280 -0.169 -8.673 1.00 0.00 H new ATOM 736 N ILE A 52 11.698 -1.975 -7.620 1.00 0.00 N ATOM 737 CA ILE A 52 12.972 -2.606 -7.273 1.00 0.00 C ATOM 738 C ILE A 52 12.819 -4.122 -7.184 1.00 0.00 C ATOM 739 O ILE A 52 11.705 -4.635 -7.095 1.00 0.00 O ATOM 740 CB ILE A 52 13.560 -2.079 -5.937 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.465 -1.569 -4.993 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.577 -0.983 -6.209 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.988 -1.140 -3.639 1.00 0.00 C ATOM 0 H ILE A 52 11.282 -1.426 -6.868 1.00 0.00 H new ATOM 0 HA ILE A 52 13.666 -2.345 -8.072 1.00 0.00 H new ATOM 0 HB ILE A 52 14.055 -2.914 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.956 -0.726 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.721 -2.354 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.983 -0.621 -5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.385 -1.381 -6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 52 14.093 -0.160 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 52 12.159 -0.791 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.472 -1.986 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.710 -0.334 -3.767 1.00 0.00 H new ATOM 755 N PRO A 53 13.941 -4.864 -7.198 1.00 0.00 N ATOM 756 CA PRO A 53 13.912 -6.327 -7.108 1.00 0.00 C ATOM 757 C PRO A 53 13.281 -6.812 -5.805 1.00 0.00 C ATOM 758 O PRO A 53 12.949 -7.987 -5.671 1.00 0.00 O ATOM 759 CB PRO A 53 15.389 -6.729 -7.176 1.00 0.00 C ATOM 760 CG PRO A 53 16.142 -5.501 -6.797 1.00 0.00 C ATOM 761 CD PRO A 53 15.318 -4.348 -7.291 1.00 0.00 C ATOM 0 HA PRO A 53 13.308 -6.770 -7.900 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.606 -7.551 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.661 -7.065 -8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.284 -5.447 -5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.134 -5.495 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.458 -3.459 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.579 -4.074 -8.313 1.00 0.00 H new ATOM 769 N GLY A 54 13.119 -5.897 -4.849 1.00 0.00 N ATOM 770 CA GLY A 54 12.526 -6.249 -3.572 1.00 0.00 C ATOM 771 C GLY A 54 11.019 -6.375 -3.648 1.00 0.00 C ATOM 772 O GLY A 54 10.464 -7.456 -3.438 1.00 0.00 O ATOM 0 H GLY A 54 13.389 -4.918 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.949 -7.192 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.787 -5.492 -2.833 1.00 0.00 H new ATOM 776 N PHE A 55 10.357 -5.268 -3.961 1.00 0.00 N ATOM 777 CA PHE A 55 8.912 -5.255 -4.078 1.00 0.00 C ATOM 778 C PHE A 55 8.472 -6.107 -5.261 1.00 0.00 C ATOM 779 O PHE A 55 7.608 -6.975 -5.135 1.00 0.00 O ATOM 780 CB PHE A 55 8.404 -3.824 -4.267 1.00 0.00 C ATOM 781 CG PHE A 55 8.240 -3.032 -2.994 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.346 -3.428 -2.010 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.976 -1.875 -2.792 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.191 -2.689 -0.856 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.824 -1.132 -1.636 1.00 0.00 C ATOM 786 CZ PHE A 55 7.929 -1.539 -0.669 1.00 0.00 C ATOM 0 H PHE A 55 10.803 -4.368 -4.138 1.00 0.00 H new ATOM 0 HA PHE A 55 8.491 -5.666 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.095 -3.293 -4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.443 -3.860 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.764 -4.327 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.677 -1.550 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.492 -3.011 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.406 -0.234 -1.490 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.806 -0.958 0.233 1.00 0.00 H new ATOM 796 N GLU A 56 9.082 -5.856 -6.415 1.00 0.00 N ATOM 797 CA GLU A 56 8.763 -6.603 -7.624 1.00 0.00 C ATOM 798 C GLU A 56 8.852 -8.105 -7.364 1.00 0.00 C ATOM 799 O GLU A 56 8.242 -8.907 -8.071 1.00 0.00 O ATOM 800 CB GLU A 56 9.711 -6.205 -8.759 1.00 0.00 C ATOM 801 CG GLU A 56 9.031 -6.122 -10.116 1.00 0.00 C ATOM 802 CD GLU A 56 10.000 -5.797 -11.239 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.350 -4.607 -11.396 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.406 -6.730 -11.961 1.00 0.00 O ATOM 0 H GLU A 56 9.799 -5.141 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 56 7.742 -6.363 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.158 -5.239 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.525 -6.928 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.539 -7.071 -10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.253 -5.360 -10.082 1.00 0.00 H new ATOM 811 N ASP A 57 9.617 -8.479 -6.337 1.00 0.00 N ATOM 812 CA ASP A 57 9.784 -9.881 -5.981 1.00 0.00 C ATOM 813 C ASP A 57 8.508 -10.449 -5.369 1.00 0.00 C ATOM 814 O ASP A 57 7.776 -11.188 -6.023 1.00 0.00 O ATOM 815 CB ASP A 57 10.947 -10.050 -5.000 1.00 0.00 C ATOM 816 CG ASP A 57 12.030 -10.967 -5.538 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.903 -10.480 -6.287 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.005 -12.171 -5.209 1.00 0.00 O ATOM 0 H ASP A 57 10.128 -7.828 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 57 10.004 -10.431 -6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.378 -9.073 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.570 -10.451 -4.059 1.00 0.00 H new ATOM 823 N GLY A 58 8.260 -10.125 -4.100 1.00 0.00 N ATOM 824 CA GLY A 58 7.086 -10.644 -3.426 1.00 0.00 C ATOM 825 C GLY A 58 5.804 -10.027 -3.929 1.00 0.00 C ATOM 826 O GLY A 58 4.844 -10.733 -4.237 1.00 0.00 O ATOM 0 H GLY A 58 8.849 -9.516 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.042 -11.725 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.177 -10.461 -2.355 1.00 0.00 H new ATOM 830 N ILE A 59 5.788 -8.705 -4.012 1.00 0.00 N ATOM 831 CA ILE A 59 4.631 -7.968 -4.473 1.00 0.00 C ATOM 832 C ILE A 59 4.524 -7.999 -5.989 1.00 0.00 C ATOM 833 O ILE A 59 4.044 -7.056 -6.619 1.00 0.00 O ATOM 834 CB ILE A 59 4.713 -6.517 -3.974 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.071 -6.494 -2.486 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.400 -5.797 -4.219 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.544 -6.656 -2.197 1.00 0.00 C ATOM 0 H ILE A 59 6.581 -8.116 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 59 3.737 -8.442 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 59 5.495 -5.998 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.730 -5.552 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.524 -7.290 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.475 -4.771 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.181 -5.793 -5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.599 -6.310 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.709 -6.628 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.889 -7.611 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.099 -5.846 -2.670 1.00 0.00 H new ATOM 849 N LYS A 60 4.909 -9.135 -6.545 1.00 0.00 N ATOM 850 CA LYS A 60 4.781 -9.338 -7.978 1.00 0.00 C ATOM 851 C LYS A 60 3.331 -9.010 -8.317 1.00 0.00 C ATOM 852 O LYS A 60 3.034 -8.248 -9.233 1.00 0.00 O ATOM 853 CB LYS A 60 5.145 -10.768 -8.401 1.00 0.00 C ATOM 854 CG LYS A 60 4.660 -11.851 -7.451 1.00 0.00 C ATOM 855 CD LYS A 60 5.632 -13.020 -7.404 1.00 0.00 C ATOM 856 CE LYS A 60 5.674 -13.771 -8.727 1.00 0.00 C ATOM 857 NZ LYS A 60 6.691 -14.862 -8.717 1.00 0.00 N ATOM 0 H LYS A 60 5.308 -9.922 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 60 5.476 -8.697 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.728 -10.957 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.229 -10.841 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.541 -11.434 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.679 -12.204 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.630 -12.654 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.341 -13.704 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.691 -14.193 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.899 -13.073 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.687 -15.348 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.633 -14.457 -8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.463 -15.542 -7.964 1.00 0.00 H new ATOM 871 N GLY A 61 2.442 -9.638 -7.555 1.00 0.00 N ATOM 872 CA GLY A 61 1.018 -9.476 -7.737 1.00 0.00 C ATOM 873 C GLY A 61 0.410 -10.738 -8.286 1.00 0.00 C ATOM 874 O GLY A 61 -0.366 -10.720 -9.241 1.00 0.00 O ATOM 0 H GLY A 61 2.696 -10.271 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.550 -9.224 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.824 -8.646 -8.417 1.00 0.00 H new ATOM 878 N HIS A 62 0.787 -11.846 -7.671 1.00 0.00 N ATOM 879 CA HIS A 62 0.299 -13.158 -8.098 1.00 0.00 C ATOM 880 C HIS A 62 -0.376 -13.921 -6.958 1.00 0.00 C ATOM 881 O HIS A 62 -1.056 -14.919 -7.193 1.00 0.00 O ATOM 882 CB HIS A 62 1.449 -13.992 -8.672 1.00 0.00 C ATOM 883 CG HIS A 62 2.380 -14.549 -7.638 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.142 -15.679 -7.843 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.670 -14.128 -6.381 1.00 0.00 C ATOM 886 CE1 HIS A 62 3.859 -15.932 -6.764 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.592 -15.005 -5.863 1.00 0.00 N ATOM 0 H HIS A 62 1.427 -11.870 -6.877 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.450 -12.987 -8.871 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.032 -14.816 -9.251 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.021 -13.374 -9.364 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.254 -13.265 -5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.546 -16.756 -6.640 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.004 -14.949 -4.932 1.00 0.00 H new ATOM 895 N LYS A 63 -0.191 -13.455 -5.729 1.00 0.00 N ATOM 896 CA LYS A 63 -0.790 -14.114 -4.576 1.00 0.00 C ATOM 897 C LYS A 63 -1.708 -13.164 -3.812 1.00 0.00 C ATOM 898 O LYS A 63 -1.316 -12.593 -2.793 1.00 0.00 O ATOM 899 CB LYS A 63 0.299 -14.650 -3.647 1.00 0.00 C ATOM 900 CG LYS A 63 1.026 -15.869 -4.191 1.00 0.00 C ATOM 901 CD LYS A 63 0.303 -17.159 -3.836 1.00 0.00 C ATOM 902 CE LYS A 63 -0.070 -17.950 -5.081 1.00 0.00 C ATOM 903 NZ LYS A 63 -1.102 -18.986 -4.798 1.00 0.00 N ATOM 0 H LYS A 63 0.365 -12.629 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.391 -14.947 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.025 -13.859 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.149 -14.905 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.114 -15.787 -5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.039 -15.897 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.938 -17.768 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.598 -16.928 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.442 -17.268 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.821 -18.428 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.326 -19.501 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.739 -19.653 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.963 -18.529 -4.435 1.00 0.00 H new ATOM 917 N ALA A 64 -2.939 -13.018 -4.294 1.00 0.00 N ATOM 918 CA ALA A 64 -3.917 -12.164 -3.638 1.00 0.00 C ATOM 919 C ALA A 64 -4.167 -12.635 -2.206 1.00 0.00 C ATOM 920 O ALA A 64 -4.948 -13.559 -1.977 1.00 0.00 O ATOM 921 CB ALA A 64 -5.216 -12.140 -4.431 1.00 0.00 C ATOM 0 H ALA A 64 -3.280 -13.481 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.520 -11.150 -3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.938 -11.497 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.024 -11.755 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.618 -13.151 -4.502 1.00 0.00 H new ATOM 927 N GLY A 65 -3.493 -12.007 -1.249 1.00 0.00 N ATOM 928 CA GLY A 65 -3.655 -12.387 0.145 1.00 0.00 C ATOM 929 C GLY A 65 -2.497 -13.231 0.646 1.00 0.00 C ATOM 930 O GLY A 65 -2.693 -14.182 1.401 1.00 0.00 O ATOM 0 H GLY A 65 -2.838 -11.242 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.740 -11.489 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.585 -12.943 0.263 1.00 0.00 H new ATOM 934 N GLU A 66 -1.290 -12.886 0.208 1.00 0.00 N ATOM 935 CA GLU A 66 -0.087 -13.619 0.598 1.00 0.00 C ATOM 936 C GLU A 66 0.648 -12.935 1.746 1.00 0.00 C ATOM 937 O GLU A 66 0.396 -11.773 2.051 1.00 0.00 O ATOM 938 CB GLU A 66 0.852 -13.740 -0.601 1.00 0.00 C ATOM 939 CG GLU A 66 1.538 -15.091 -0.712 1.00 0.00 C ATOM 940 CD GLU A 66 2.863 -15.016 -1.448 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.027 -14.103 -2.286 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.738 -15.866 -1.183 1.00 0.00 O ATOM 0 H GLU A 66 -1.117 -12.101 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.397 -14.607 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.286 -13.555 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.612 -12.962 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.704 -15.493 0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.878 -15.787 -1.230 1.00 0.00 H new ATOM 949 N GLU A 67 1.573 -13.672 2.357 1.00 0.00 N ATOM 950 CA GLU A 67 2.390 -13.160 3.456 1.00 0.00 C ATOM 951 C GLU A 67 3.846 -13.575 3.242 1.00 0.00 C ATOM 952 O GLU A 67 4.197 -14.741 3.419 1.00 0.00 O ATOM 953 CB GLU A 67 1.873 -13.675 4.801 1.00 0.00 C ATOM 954 CG GLU A 67 1.709 -15.185 4.861 1.00 0.00 C ATOM 955 CD GLU A 67 2.233 -15.776 6.156 1.00 0.00 C ATOM 956 OE1 GLU A 67 3.452 -16.033 6.241 1.00 0.00 O ATOM 957 OE2 GLU A 67 1.424 -15.981 7.084 1.00 0.00 O ATOM 0 H GLU A 67 1.777 -14.639 2.105 1.00 0.00 H new ATOM 0 HA GLU A 67 2.327 -12.072 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.561 -13.363 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.912 -13.206 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.654 -15.437 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.234 -15.638 4.020 1.00 0.00 H new ATOM 964 N PHE A 68 4.679 -12.627 2.820 1.00 0.00 N ATOM 965 CA PHE A 68 6.086 -12.917 2.537 1.00 0.00 C ATOM 966 C PHE A 68 7.007 -11.830 3.087 1.00 0.00 C ATOM 967 O PHE A 68 6.558 -10.752 3.471 1.00 0.00 O ATOM 968 CB PHE A 68 6.287 -13.048 1.033 1.00 0.00 C ATOM 969 CG PHE A 68 5.718 -11.886 0.292 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.441 -10.716 0.171 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.454 -11.955 -0.260 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.912 -9.631 -0.497 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.918 -10.876 -0.924 1.00 0.00 C ATOM 974 CZ PHE A 68 4.647 -9.712 -1.044 1.00 0.00 C ATOM 0 H PHE A 68 4.408 -11.656 2.666 1.00 0.00 H new ATOM 0 HA PHE A 68 6.343 -13.854 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.352 -13.131 0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.817 -13.967 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.429 -10.650 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.880 -12.866 -0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.486 -8.721 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.928 -10.941 -1.351 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.229 -8.864 -1.566 1.00 0.00 H new ATOM 984 N THR A 69 8.304 -12.122 3.110 1.00 0.00 N ATOM 985 CA THR A 69 9.293 -11.171 3.601 1.00 0.00 C ATOM 986 C THR A 69 10.367 -10.913 2.548 1.00 0.00 C ATOM 987 O THR A 69 11.106 -11.820 2.165 1.00 0.00 O ATOM 988 CB THR A 69 9.936 -11.689 4.890 1.00 0.00 C ATOM 989 OG1 THR A 69 8.951 -11.908 5.883 1.00 0.00 O ATOM 990 CG2 THR A 69 10.970 -10.741 5.464 1.00 0.00 C ATOM 0 H THR A 69 8.694 -13.010 2.794 1.00 0.00 H new ATOM 0 HA THR A 69 8.784 -10.231 3.813 1.00 0.00 H new ATOM 0 HB THR A 69 10.434 -12.619 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.378 -12.241 6.700 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.387 -11.167 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.767 -10.589 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.500 -9.785 5.692 1.00 0.00 H new ATOM 998 N ILE A 70 10.449 -9.666 2.089 1.00 0.00 N ATOM 999 CA ILE A 70 11.435 -9.284 1.083 1.00 0.00 C ATOM 1000 C ILE A 70 12.190 -8.033 1.507 1.00 0.00 C ATOM 1001 O ILE A 70 11.742 -7.293 2.382 1.00 0.00 O ATOM 1002 CB ILE A 70 10.788 -9.040 -0.301 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.992 -7.726 -0.322 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.898 -10.212 -0.682 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.792 -7.716 0.601 1.00 0.00 C ATOM 0 H ILE A 70 9.845 -8.904 2.398 1.00 0.00 H new ATOM 0 HA ILE A 70 12.130 -10.119 0.998 1.00 0.00 H new ATOM 0 HB ILE A 70 11.588 -8.954 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.656 -6.907 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.655 -7.534 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.450 -10.026 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.495 -11.123 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.111 -10.328 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.284 -6.754 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.105 -8.512 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.121 -7.875 1.628 1.00 0.00 H new ATOM 1017 N ASP A 71 13.313 -7.775 0.847 1.00 0.00 N ATOM 1018 CA ASP A 71 14.101 -6.584 1.122 1.00 0.00 C ATOM 1019 C ASP A 71 13.726 -5.493 0.126 1.00 0.00 C ATOM 1020 O ASP A 71 13.363 -5.793 -1.006 1.00 0.00 O ATOM 1021 CB ASP A 71 15.599 -6.892 1.025 1.00 0.00 C ATOM 1022 CG ASP A 71 16.451 -5.863 1.741 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.258 -4.655 1.492 1.00 0.00 O ATOM 1024 OD2 ASP A 71 17.312 -6.266 2.551 1.00 0.00 O ATOM 0 H ASP A 71 13.697 -8.376 0.118 1.00 0.00 H new ATOM 0 HA ASP A 71 13.889 -6.244 2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.792 -7.877 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.891 -6.934 -0.024 1.00 0.00 H new ATOM 1029 N VAL A 72 13.841 -4.235 0.528 1.00 0.00 N ATOM 1030 CA VAL A 72 13.536 -3.125 -0.370 1.00 0.00 C ATOM 1031 C VAL A 72 14.451 -1.938 -0.066 1.00 0.00 C ATOM 1032 O VAL A 72 14.641 -1.573 1.093 1.00 0.00 O ATOM 1033 CB VAL A 72 12.054 -2.708 -0.275 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.813 -1.303 -0.822 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.172 -3.717 -0.996 1.00 0.00 C ATOM 0 H VAL A 72 14.141 -3.957 1.462 1.00 0.00 H new ATOM 0 HA VAL A 72 13.715 -3.459 -1.392 1.00 0.00 H new ATOM 0 HB VAL A 72 11.790 -2.692 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.755 -1.055 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.403 -0.585 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.108 -1.265 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.129 -3.409 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.460 -3.767 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.294 -4.699 -0.539 1.00 0.00 H new ATOM 1045 N THR A 73 15.011 -1.334 -1.109 1.00 0.00 N ATOM 1046 CA THR A 73 15.899 -0.186 -0.958 1.00 0.00 C ATOM 1047 C THR A 73 15.751 0.707 -2.185 1.00 0.00 C ATOM 1048 O THR A 73 15.899 0.245 -3.315 1.00 0.00 O ATOM 1049 CB THR A 73 17.353 -0.655 -0.807 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.571 -1.196 0.482 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.374 0.445 -1.018 1.00 0.00 C ATOM 0 H THR A 73 14.864 -1.623 -2.076 1.00 0.00 H new ATOM 0 HA THR A 73 15.632 0.374 -0.062 1.00 0.00 H new ATOM 0 HB THR A 73 17.491 -1.405 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.715 -1.272 0.954 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.378 0.038 -0.895 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.268 0.852 -2.024 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.212 1.237 -0.287 1.00 0.00 H new ATOM 1059 N PHE A 74 15.440 1.976 -1.969 1.00 0.00 N ATOM 1060 CA PHE A 74 15.250 2.902 -3.074 1.00 0.00 C ATOM 1061 C PHE A 74 16.578 3.492 -3.546 1.00 0.00 C ATOM 1062 O PHE A 74 17.371 3.977 -2.739 1.00 0.00 O ATOM 1063 CB PHE A 74 14.277 3.998 -2.662 1.00 0.00 C ATOM 1064 CG PHE A 74 12.872 3.491 -2.509 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.576 2.481 -1.606 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.851 4.018 -3.275 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.283 2.009 -1.474 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.556 3.553 -3.149 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.271 2.549 -2.247 1.00 0.00 C ATOM 0 H PHE A 74 15.314 2.386 -1.044 1.00 0.00 H new ATOM 0 HA PHE A 74 14.829 2.354 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.606 4.437 -1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.294 4.793 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.364 2.059 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.068 4.805 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.064 1.221 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.768 3.975 -3.756 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.259 2.185 -2.145 1.00 0.00 H new ATOM 1079 N PRO A 75 16.843 3.449 -4.867 1.00 0.00 N ATOM 1080 CA PRO A 75 18.087 3.976 -5.438 1.00 0.00 C ATOM 1081 C PRO A 75 18.197 5.492 -5.322 1.00 0.00 C ATOM 1082 O PRO A 75 17.280 6.158 -4.844 1.00 0.00 O ATOM 1083 CB PRO A 75 18.010 3.570 -6.912 1.00 0.00 C ATOM 1084 CG PRO A 75 16.558 3.390 -7.183 1.00 0.00 C ATOM 1085 CD PRO A 75 15.960 2.881 -5.905 1.00 0.00 C ATOM 0 HA PRO A 75 18.959 3.586 -4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.440 4.337 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.564 2.650 -7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.097 4.331 -7.482 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.398 2.684 -7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.929 3.214 -5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.949 1.792 -5.872 1.00 0.00 H new ATOM 1093 N GLU A 76 19.326 6.027 -5.775 1.00 0.00 N ATOM 1094 CA GLU A 76 19.564 7.464 -5.739 1.00 0.00 C ATOM 1095 C GLU A 76 18.764 8.181 -6.826 1.00 0.00 C ATOM 1096 O GLU A 76 18.724 9.410 -6.870 1.00 0.00 O ATOM 1097 CB GLU A 76 21.055 7.760 -5.911 1.00 0.00 C ATOM 1098 CG GLU A 76 21.685 7.026 -7.084 1.00 0.00 C ATOM 1099 CD GLU A 76 22.570 5.877 -6.645 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.028 4.816 -6.271 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.808 6.039 -6.676 1.00 0.00 O ATOM 0 H GLU A 76 20.093 5.484 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 76 19.235 7.834 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.191 8.833 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.580 7.486 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.898 6.645 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.274 7.729 -7.674 1.00 0.00 H new ATOM 1108 N GLU A 77 18.128 7.406 -7.699 1.00 0.00 N ATOM 1109 CA GLU A 77 17.330 7.967 -8.780 1.00 0.00 C ATOM 1110 C GLU A 77 15.892 8.187 -8.325 1.00 0.00 C ATOM 1111 O GLU A 77 15.248 9.163 -8.708 1.00 0.00 O ATOM 1112 CB GLU A 77 17.352 7.040 -9.998 1.00 0.00 C ATOM 1113 CG GLU A 77 18.696 6.370 -10.247 1.00 0.00 C ATOM 1114 CD GLU A 77 19.625 7.219 -11.090 1.00 0.00 C ATOM 1115 OE1 GLU A 77 19.399 8.445 -11.173 1.00 0.00 O ATOM 1116 OE2 GLU A 77 20.579 6.659 -11.670 1.00 0.00 O ATOM 0 H GLU A 77 18.151 6.386 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 77 17.763 8.928 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.593 6.269 -9.868 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.075 7.614 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 77 19.173 6.156 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.534 5.413 -10.743 1.00 0.00 H new ATOM 1123 N TYR A 78 15.399 7.273 -7.494 1.00 0.00 N ATOM 1124 CA TYR A 78 14.037 7.363 -6.972 1.00 0.00 C ATOM 1125 C TYR A 78 13.888 8.599 -6.090 1.00 0.00 C ATOM 1126 O TYR A 78 13.234 9.571 -6.466 1.00 0.00 O ATOM 1127 CB TYR A 78 13.699 6.102 -6.171 1.00 0.00 C ATOM 1128 CG TYR A 78 12.220 5.808 -6.086 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.375 6.558 -5.269 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.666 4.774 -6.822 1.00 0.00 C ATOM 1131 CE1 TYR A 78 10.025 6.279 -5.197 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.319 4.490 -6.757 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.501 5.244 -5.944 1.00 0.00 C ATOM 1134 OH TYR A 78 8.155 4.964 -5.874 1.00 0.00 O ATOM 0 H TYR A 78 15.922 6.461 -7.167 1.00 0.00 H new ATOM 0 HA TYR A 78 13.345 7.447 -7.810 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.203 5.249 -6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.097 6.207 -5.162 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.783 7.369 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.302 4.178 -7.460 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.382 6.868 -4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.906 3.680 -7.341 1.00 0.00 H new ATOM 0 HH TYR A 78 7.947 4.207 -6.461 1.00 0.00 H new ATOM 1144 N HIS A 79 14.520 8.548 -4.923 1.00 0.00 N ATOM 1145 CA HIS A 79 14.502 9.642 -3.960 1.00 0.00 C ATOM 1146 C HIS A 79 13.161 10.386 -3.917 1.00 0.00 C ATOM 1147 O HIS A 79 13.045 11.501 -4.425 1.00 0.00 O ATOM 1148 CB HIS A 79 15.639 10.615 -4.260 1.00 0.00 C ATOM 1149 CG HIS A 79 16.961 10.130 -3.750 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.070 10.942 -3.620 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.346 8.902 -3.323 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.077 10.235 -3.138 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.663 8.996 -2.948 1.00 0.00 N ATOM 0 H HIS A 79 15.063 7.741 -4.617 1.00 0.00 H new ATOM 0 HA HIS A 79 14.641 9.200 -2.974 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.704 10.771 -5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.413 11.582 -3.811 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.731 8.015 -3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.070 10.608 -2.934 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.230 8.232 -2.582 1.00 0.00 H new ATOM 1161 N ALA A 80 12.158 9.771 -3.287 1.00 0.00 N ATOM 1162 CA ALA A 80 10.844 10.390 -3.156 1.00 0.00 C ATOM 1163 C ALA A 80 10.791 11.272 -1.910 1.00 0.00 C ATOM 1164 O ALA A 80 11.444 10.992 -0.906 1.00 0.00 O ATOM 1165 CB ALA A 80 9.757 9.329 -3.106 1.00 0.00 C ATOM 0 H ALA A 80 12.233 8.847 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 80 10.670 11.018 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.784 9.810 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.781 8.741 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.926 8.675 -2.251 1.00 0.00 H new ATOM 1171 N GLU A 81 10.027 12.349 -1.990 1.00 0.00 N ATOM 1172 CA GLU A 81 9.901 13.300 -0.888 1.00 0.00 C ATOM 1173 C GLU A 81 9.609 12.633 0.462 1.00 0.00 C ATOM 1174 O GLU A 81 9.932 13.192 1.509 1.00 0.00 O ATOM 1175 CB GLU A 81 8.792 14.305 -1.203 1.00 0.00 C ATOM 1176 CG GLU A 81 7.435 13.661 -1.437 1.00 0.00 C ATOM 1177 CD GLU A 81 7.068 13.593 -2.907 1.00 0.00 C ATOM 1178 OE1 GLU A 81 7.872 13.054 -3.695 1.00 0.00 O ATOM 1179 OE2 GLU A 81 5.976 14.079 -3.269 1.00 0.00 O ATOM 0 H GLU A 81 9.478 12.592 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 81 10.866 13.799 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.711 15.014 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.071 14.876 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.438 12.654 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.672 14.225 -0.901 1.00 0.00 H new ATOM 1186 N ASN A 82 8.962 11.471 0.446 1.00 0.00 N ATOM 1187 CA ASN A 82 8.601 10.797 1.694 1.00 0.00 C ATOM 1188 C ASN A 82 9.606 9.730 2.146 1.00 0.00 C ATOM 1189 O ASN A 82 9.832 9.571 3.346 1.00 0.00 O ATOM 1190 CB ASN A 82 7.207 10.179 1.575 1.00 0.00 C ATOM 1191 CG ASN A 82 7.074 9.252 0.386 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.430 9.586 -0.609 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.682 8.079 0.483 1.00 0.00 N ATOM 0 H ASN A 82 8.679 10.981 -0.403 1.00 0.00 H new ATOM 0 HA ASN A 82 8.613 11.570 2.463 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.981 9.627 2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.468 10.976 1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.627 7.411 -0.286 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.205 7.844 1.327 1.00 0.00 H new ATOM 1200 N LEU A 83 10.180 8.976 1.212 1.00 0.00 N ATOM 1201 CA LEU A 83 11.121 7.911 1.584 1.00 0.00 C ATOM 1202 C LEU A 83 12.376 7.888 0.715 1.00 0.00 C ATOM 1203 O LEU A 83 13.080 6.885 0.657 1.00 0.00 O ATOM 1204 CB LEU A 83 10.413 6.549 1.542 1.00 0.00 C ATOM 1205 CG LEU A 83 10.245 5.882 0.162 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.162 6.888 -0.978 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.372 4.911 -0.092 1.00 0.00 C ATOM 0 H LEU A 83 10.018 9.075 0.210 1.00 0.00 H new ATOM 0 HA LEU A 83 11.455 8.123 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.965 5.862 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.423 6.670 1.981 1.00 0.00 H new ATOM 0 HG LEU A 83 9.295 5.349 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.044 6.358 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.307 7.545 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.076 7.482 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.240 4.448 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.323 5.443 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.368 4.140 0.678 1.00 0.00 H new ATOM 1219 N LYS A 84 12.654 8.994 0.049 1.00 0.00 N ATOM 1220 CA LYS A 84 13.826 9.107 -0.824 1.00 0.00 C ATOM 1221 C LYS A 84 15.033 8.314 -0.312 1.00 0.00 C ATOM 1222 O LYS A 84 15.452 8.462 0.836 1.00 0.00 O ATOM 1223 CB LYS A 84 14.216 10.575 -1.003 1.00 0.00 C ATOM 1224 CG LYS A 84 14.396 11.327 0.303 1.00 0.00 C ATOM 1225 CD LYS A 84 15.025 12.691 0.069 1.00 0.00 C ATOM 1226 CE LYS A 84 14.589 13.698 1.120 1.00 0.00 C ATOM 1227 NZ LYS A 84 15.323 13.518 2.404 1.00 0.00 N ATOM 0 H LYS A 84 12.083 9.838 0.092 1.00 0.00 H new ATOM 0 HA LYS A 84 13.539 8.676 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.144 10.627 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.450 11.075 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.430 11.448 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.024 10.745 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.111 12.598 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.748 13.055 -0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.756 14.708 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.518 13.597 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.995 14.225 3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.144 12.563 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.343 13.640 2.241 1.00 0.00 H new ATOM 1241 N GLY A 85 15.590 7.477 -1.193 1.00 0.00 N ATOM 1242 CA GLY A 85 16.753 6.669 -0.852 1.00 0.00 C ATOM 1243 C GLY A 85 16.616 5.962 0.484 1.00 0.00 C ATOM 1244 O GLY A 85 17.491 6.073 1.343 1.00 0.00 O ATOM 0 H GLY A 85 15.251 7.345 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.914 5.927 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.637 7.306 -0.830 1.00 0.00 H new ATOM 1248 N LYS A 86 15.518 5.236 0.661 1.00 0.00 N ATOM 1249 CA LYS A 86 15.277 4.516 1.906 1.00 0.00 C ATOM 1250 C LYS A 86 15.640 3.035 1.786 1.00 0.00 C ATOM 1251 O LYS A 86 14.791 2.202 1.468 1.00 0.00 O ATOM 1252 CB LYS A 86 13.815 4.674 2.327 1.00 0.00 C ATOM 1253 CG LYS A 86 13.511 4.151 3.722 1.00 0.00 C ATOM 1254 CD LYS A 86 12.958 2.738 3.683 1.00 0.00 C ATOM 1255 CE LYS A 86 11.707 2.641 2.825 1.00 0.00 C ATOM 1256 NZ LYS A 86 11.980 1.965 1.524 1.00 0.00 N ATOM 0 H LYS A 86 14.783 5.130 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 86 15.921 4.948 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.546 5.729 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.183 4.152 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.420 4.170 4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.792 4.810 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.719 2.061 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.729 2.410 4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.937 2.091 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.314 3.641 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.154 2.067 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.810 2.401 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.166 0.955 1.690 1.00 0.00 H new ATOM 1270 N ALA A 87 16.899 2.711 2.064 1.00 0.00 N ATOM 1271 CA ALA A 87 17.362 1.329 2.013 1.00 0.00 C ATOM 1272 C ALA A 87 16.907 0.596 3.266 1.00 0.00 C ATOM 1273 O ALA A 87 17.475 0.786 4.341 1.00 0.00 O ATOM 1274 CB ALA A 87 18.879 1.282 1.889 1.00 0.00 C ATOM 0 H ALA A 87 17.616 3.387 2.327 1.00 0.00 H new ATOM 0 HA ALA A 87 16.935 0.839 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.209 0.244 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.185 1.793 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.330 1.776 2.750 1.00 0.00 H new ATOM 1280 N ALA A 88 15.856 -0.211 3.144 1.00 0.00 N ATOM 1281 CA ALA A 88 15.324 -0.915 4.304 1.00 0.00 C ATOM 1282 C ALA A 88 14.953 -2.365 4.021 1.00 0.00 C ATOM 1283 O ALA A 88 15.258 -2.921 2.967 1.00 0.00 O ATOM 1284 CB ALA A 88 14.102 -0.172 4.821 1.00 0.00 C ATOM 0 H ALA A 88 15.364 -0.391 2.269 1.00 0.00 H new ATOM 0 HA ALA A 88 16.118 -0.938 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.699 -0.694 5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.386 0.841 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.344 -0.130 4.039 1.00 0.00 H new ATOM 1290 N LYS A 89 14.269 -2.947 4.998 1.00 0.00 N ATOM 1291 CA LYS A 89 13.796 -4.315 4.932 1.00 0.00 C ATOM 1292 C LYS A 89 12.355 -4.340 5.419 1.00 0.00 C ATOM 1293 O LYS A 89 12.035 -3.711 6.427 1.00 0.00 O ATOM 1294 CB LYS A 89 14.667 -5.218 5.808 1.00 0.00 C ATOM 1295 CG LYS A 89 16.018 -5.546 5.193 1.00 0.00 C ATOM 1296 CD LYS A 89 16.967 -6.140 6.224 1.00 0.00 C ATOM 1297 CE LYS A 89 17.523 -5.072 7.153 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.010 -5.022 7.111 1.00 0.00 N ATOM 0 H LYS A 89 14.026 -2.472 5.868 1.00 0.00 H new ATOM 0 HA LYS A 89 13.852 -4.684 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.824 -4.733 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.131 -6.147 6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.884 -6.249 4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.457 -4.642 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.443 -6.895 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.789 -6.644 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.119 -4.100 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.195 -5.271 8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.351 -4.282 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.397 -5.942 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.323 -4.807 6.143 1.00 0.00 H new ATOM 1312 N PHE A 90 11.497 -5.110 4.760 1.00 0.00 N ATOM 1313 CA PHE A 90 10.115 -5.242 5.202 1.00 0.00 C ATOM 1314 C PHE A 90 9.633 -6.682 5.090 1.00 0.00 C ATOM 1315 O PHE A 90 10.225 -7.495 4.380 1.00 0.00 O ATOM 1316 CB PHE A 90 9.151 -4.368 4.393 1.00 0.00 C ATOM 1317 CG PHE A 90 9.730 -3.124 3.801 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.465 -2.239 4.566 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.492 -2.824 2.474 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.958 -1.077 4.013 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.976 -1.662 1.918 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.710 -0.787 2.688 1.00 0.00 C ATOM 0 H PHE A 90 11.731 -5.648 3.925 1.00 0.00 H new ATOM 0 HA PHE A 90 10.112 -4.915 6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.737 -4.971 3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.320 -4.086 5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.655 -2.460 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.920 -3.509 1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.538 -0.394 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.781 -1.437 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.091 0.126 2.254 1.00 0.00 H new ATOM 1332 N ALA A 91 8.511 -6.961 5.738 1.00 0.00 N ATOM 1333 CA ALA A 91 7.864 -8.257 5.673 1.00 0.00 C ATOM 1334 C ALA A 91 6.443 -7.952 5.233 1.00 0.00 C ATOM 1335 O ALA A 91 5.652 -7.388 5.988 1.00 0.00 O ATOM 1336 CB ALA A 91 7.895 -8.958 7.027 1.00 0.00 C ATOM 0 H ALA A 91 8.023 -6.287 6.327 1.00 0.00 H new ATOM 0 HA ALA A 91 8.366 -8.937 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.402 -9.927 6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.930 -9.102 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.375 -8.347 7.765 1.00 0.00 H new ATOM 1342 N ILE A 92 6.173 -8.216 3.964 1.00 0.00 N ATOM 1343 CA ILE A 92 4.899 -7.851 3.361 1.00 0.00 C ATOM 1344 C ILE A 92 3.884 -8.984 3.251 1.00 0.00 C ATOM 1345 O ILE A 92 4.221 -10.165 3.305 1.00 0.00 O ATOM 1346 CB ILE A 92 5.158 -7.300 1.944 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.272 -6.244 1.992 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.881 -6.752 1.328 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.325 -5.320 0.793 1.00 0.00 C ATOM 0 H ILE A 92 6.821 -8.683 3.329 1.00 0.00 H new ATOM 0 HA ILE A 92 4.460 -7.112 4.031 1.00 0.00 H new ATOM 0 HB ILE A 92 5.491 -8.115 1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.144 -5.642 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.232 -6.753 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.093 -6.370 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.138 -7.547 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.494 -5.945 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.142 -4.610 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.488 -5.906 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.383 -4.778 0.709 1.00 0.00 H new ATOM 1361 N ASN A 93 2.627 -8.580 3.046 1.00 0.00 N ATOM 1362 CA ASN A 93 1.521 -9.502 2.862 1.00 0.00 C ATOM 1363 C ASN A 93 0.652 -9.026 1.695 1.00 0.00 C ATOM 1364 O ASN A 93 -0.095 -8.056 1.822 1.00 0.00 O ATOM 1365 CB ASN A 93 0.687 -9.611 4.143 1.00 0.00 C ATOM 1366 CG ASN A 93 1.523 -10.003 5.346 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.542 -10.680 5.213 1.00 0.00 O ATOM 1368 ND2 ASN A 93 1.091 -9.582 6.531 1.00 0.00 N ATOM 0 H ASN A 93 2.355 -7.598 3.004 1.00 0.00 H new ATOM 0 HA ASN A 93 1.917 -10.492 2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.200 -8.656 4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.103 -10.348 3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.610 -9.818 7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.240 -9.023 6.594 1.00 0.00 H new ATOM 1375 N LEU A 94 0.772 -9.698 0.552 1.00 0.00 N ATOM 1376 CA LEU A 94 0.014 -9.328 -0.646 1.00 0.00 C ATOM 1377 C LEU A 94 -1.488 -9.489 -0.441 1.00 0.00 C ATOM 1378 O LEU A 94 -1.924 -10.290 0.384 1.00 0.00 O ATOM 1379 CB LEU A 94 0.465 -10.168 -1.841 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.028 -9.674 -3.199 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.520 -8.287 -3.492 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.375 -10.646 -4.294 1.00 0.00 C ATOM 0 H LEU A 94 1.387 -10.502 0.428 1.00 0.00 H new ATOM 0 HA LEU A 94 0.215 -8.275 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.555 -10.197 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.121 -11.192 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.116 -9.616 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.158 -7.951 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.186 -7.593 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.609 -8.321 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.016 -10.280 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.461 -10.733 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.063 -11.624 -4.092 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.275 -8.729 -1.207 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.727 -8.800 -1.112 1.00 0.00 C ATOM 1396 C LYS A 95 -4.388 -8.508 -2.470 1.00 0.00 C ATOM 1397 O LYS A 95 -4.303 -9.316 -3.390 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.248 -7.846 -0.030 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.884 -8.263 1.386 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.061 -8.103 2.334 1.00 0.00 C ATOM 1401 CE LYS A 95 -6.120 -9.166 2.090 1.00 0.00 C ATOM 1402 NZ LYS A 95 -5.879 -10.392 2.904 1.00 0.00 N ATOM 0 H LYS A 95 -1.929 -8.061 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.996 -9.817 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.852 -6.848 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.333 -7.778 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.553 -9.302 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.046 -7.662 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.711 -8.166 3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.501 -7.114 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.103 -8.760 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.132 -9.430 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.624 -11.091 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.952 -10.795 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.893 -10.146 3.914 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.088 -7.381 -2.577 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.795 -7.047 -3.807 1.00 0.00 C ATOM 1418 C LYS A 96 -4.855 -6.625 -4.930 1.00 0.00 C ATOM 1419 O LYS A 96 -4.356 -5.500 -4.954 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.819 -5.942 -3.544 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.242 -6.457 -3.396 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.143 -5.429 -2.734 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.761 -4.491 -3.758 1.00 0.00 C ATOM 1424 NZ LYS A 96 -11.018 -5.046 -4.335 1.00 0.00 N ATOM 0 H LYS A 96 -5.180 -6.690 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.304 -7.953 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.539 -5.406 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.784 -5.223 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.641 -6.713 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.238 -7.373 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.933 -5.938 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.568 -4.852 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.971 -3.530 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.045 -4.306 -4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.905 -5.168 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.224 -5.967 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.804 -4.391 -4.149 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.645 -7.535 -5.874 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.798 -7.286 -7.035 1.00 0.00 C ATOM 1440 C VAL A 97 -4.663 -7.170 -8.294 1.00 0.00 C ATOM 1441 O VAL A 97 -5.186 -8.169 -8.788 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.766 -8.427 -7.214 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.418 -9.791 -7.017 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.084 -8.347 -8.577 1.00 0.00 C ATOM 0 H VAL A 97 -5.058 -8.468 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.260 -6.352 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.001 -8.302 -6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.671 -10.574 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.836 -9.853 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.214 -9.923 -7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.365 -9.161 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.833 -8.430 -9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.566 -7.393 -8.669 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.822 -5.948 -8.802 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.640 -5.712 -9.993 1.00 0.00 C ATOM 1456 C GLU A 98 -4.907 -4.825 -11.002 1.00 0.00 C ATOM 1457 O GLU A 98 -3.897 -4.211 -10.668 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.966 -5.072 -9.586 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.707 -5.843 -8.507 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.177 -4.952 -7.373 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.353 -4.177 -6.844 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.370 -5.032 -7.014 1.00 0.00 O ATOM 0 H GLU A 98 -4.397 -5.108 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.834 -6.670 -10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.777 -4.058 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.605 -4.989 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.567 -6.345 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.055 -6.620 -8.108 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.415 -4.773 -12.240 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.790 -3.975 -13.302 1.00 0.00 C ATOM 1471 C GLU A 99 -5.364 -2.566 -13.394 1.00 0.00 C ATOM 1472 O GLU A 99 -6.352 -2.334 -14.086 1.00 0.00 O ATOM 1473 CB GLU A 99 -4.942 -4.666 -14.657 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.242 -3.932 -15.790 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.122 -3.769 -17.013 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.592 -4.795 -17.547 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -5.339 -2.615 -17.437 1.00 0.00 O ATOM 0 H GLU A 99 -6.255 -5.273 -12.530 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.735 -3.892 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.542 -5.678 -14.588 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.002 -4.757 -14.893 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.927 -2.949 -15.441 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.339 -4.476 -16.067 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.714 -1.626 -12.715 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.136 -0.230 -12.733 1.00 0.00 C ATOM 1486 C ARG A 100 -4.791 0.431 -14.057 1.00 0.00 C ATOM 1487 O ARG A 100 -4.159 -0.171 -14.925 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.454 0.536 -11.604 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.942 0.582 -11.749 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.470 1.919 -12.297 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.013 1.971 -12.427 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.373 2.374 -13.525 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.050 2.768 -14.597 1.00 0.00 N ATOM 1494 NH2 ARG A 100 0.952 2.382 -13.550 1.00 0.00 N ATOM 0 H ARG A 100 -3.889 -1.807 -12.143 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.218 -0.208 -12.600 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.842 1.554 -11.576 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.709 0.072 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.478 0.402 -10.779 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.616 -0.219 -12.412 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.928 2.095 -13.270 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.805 2.720 -11.638 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.452 1.680 -11.627 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.070 2.764 -14.586 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.550 3.074 -15.432 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.479 2.080 -12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.444 2.690 -14.389 1.00 0.00 H new