USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 539 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 16 LYS NZ :NH3+ -152:sc= 0.947 (180deg=-0.0583!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.24) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -86:sc= 0.926 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 38 GLN : amide:sc= -0.655 X(o=-0.65,f=-0.93) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.816 USER MOD Single : A 63 GLN : amide:sc= -1.02 K(o=-1,f=-1.7) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 67 GLN : amide:sc= -0.0601 K(o=-0.06,f=-0.84) USER MOD Single : A 71 GLN : amide:sc= -5.61! K(o=-5.6!,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -170:sc= -6.32! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.0939 K(o=0.094,f=-0.65) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.512 7.990 -5.812 1.00 0.00 N ATOM 168 CA GLY A 15 -3.442 8.190 -4.376 1.00 0.00 C ATOM 169 C GLY A 15 -3.633 6.901 -3.601 1.00 0.00 C ATOM 170 O GLY A 15 -4.388 6.857 -2.630 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.476 8.625 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.205 8.908 -4.075 1.00 0.00 H new ATOM 174 N LYS A 16 -2.949 5.846 -4.033 1.00 0.00 N ATOM 175 CA LYS A 16 -3.046 4.549 -3.374 1.00 0.00 C ATOM 176 C LYS A 16 -1.681 4.089 -2.874 1.00 0.00 C ATOM 177 O LYS A 16 -0.752 3.898 -3.660 1.00 0.00 O ATOM 178 CB LYS A 16 -3.627 3.509 -4.335 1.00 0.00 C ATOM 179 CG LYS A 16 -4.650 4.078 -5.302 1.00 0.00 C ATOM 180 CD LYS A 16 -4.662 3.313 -6.615 1.00 0.00 C ATOM 181 CE LYS A 16 -5.535 4.002 -7.653 1.00 0.00 C ATOM 182 NZ LYS A 16 -5.033 3.779 -9.037 1.00 0.00 N ATOM 0 H LYS A 16 -2.321 5.864 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.710 4.654 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.814 3.058 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.092 2.711 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.641 4.040 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.427 5.128 -5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.644 3.224 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.028 2.301 -6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.556 3.630 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.568 5.072 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.309 4.580 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.996 3.698 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.443 2.902 -9.418 1.00 0.00 H new ATOM 196 N THR A 17 -1.565 3.910 -1.562 1.00 0.00 N ATOM 197 CA THR A 17 -0.314 3.472 -0.957 1.00 0.00 C ATOM 198 C THR A 17 -0.565 2.463 0.157 1.00 0.00 C ATOM 199 O THR A 17 -1.674 2.368 0.685 1.00 0.00 O ATOM 200 CB THR A 17 0.481 4.662 -0.387 1.00 0.00 C ATOM 201 OG1 THR A 17 0.962 5.487 -1.454 1.00 0.00 O ATOM 202 CG2 THR A 17 1.653 4.176 0.453 1.00 0.00 C ATOM 0 H THR A 17 -2.324 4.062 -0.897 1.00 0.00 H new ATOM 0 HA THR A 17 0.270 2.999 -1.747 1.00 0.00 H new ATOM 0 HB THR A 17 -0.185 5.245 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.465 6.242 -1.083 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.200 5.033 0.845 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.282 3.573 1.281 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.318 3.573 -0.165 1.00 0.00 H new ATOM 210 N VAL A 18 0.471 1.709 0.512 1.00 0.00 N ATOM 211 CA VAL A 18 0.362 0.707 1.565 1.00 0.00 C ATOM 212 C VAL A 18 1.726 0.400 2.174 1.00 0.00 C ATOM 213 O VAL A 18 2.633 -0.070 1.486 1.00 0.00 O ATOM 214 CB VAL A 18 -0.258 -0.599 1.036 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.550 -0.312 0.287 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.732 -1.335 0.145 1.00 0.00 C ATOM 0 H VAL A 18 1.395 1.773 0.085 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.290 1.124 2.332 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.494 -1.239 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.974 -1.247 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.261 0.170 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.343 0.347 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.278 -2.256 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.000 -0.702 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.628 -1.575 0.717 1.00 0.00 H new ATOM 226 N PHE A 19 1.864 0.668 3.468 1.00 0.00 N ATOM 227 CA PHE A 19 3.118 0.420 4.170 1.00 0.00 C ATOM 228 C PHE A 19 2.965 -0.721 5.171 1.00 0.00 C ATOM 229 O PHE A 19 2.085 -0.693 6.031 1.00 0.00 O ATOM 230 CB PHE A 19 3.582 1.687 4.892 1.00 0.00 C ATOM 231 CG PHE A 19 4.783 1.473 5.767 1.00 0.00 C ATOM 232 CD1 PHE A 19 6.004 1.118 5.216 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.692 1.625 7.142 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.112 0.920 6.019 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.796 1.429 7.949 1.00 0.00 C ATOM 236 CZ PHE A 19 7.007 1.075 7.388 1.00 0.00 C ATOM 0 H PHE A 19 1.123 1.057 4.052 1.00 0.00 H new ATOM 0 HA PHE A 19 3.868 0.135 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.814 2.453 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.763 2.069 5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.091 0.995 4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.747 1.900 7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.058 0.645 5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.712 1.553 9.019 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.870 0.920 8.018 1.00 0.00 H new ATOM 246 N ILE A 20 3.827 -1.725 5.050 1.00 0.00 N ATOM 247 CA ILE A 20 3.788 -2.876 5.944 1.00 0.00 C ATOM 248 C ILE A 20 4.786 -2.719 7.087 1.00 0.00 C ATOM 249 O ILE A 20 5.913 -2.268 6.883 1.00 0.00 O ATOM 250 CB ILE A 20 4.091 -4.185 5.190 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.334 -4.220 3.861 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.724 -5.387 6.047 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.059 -3.519 2.733 1.00 0.00 C ATOM 0 H ILE A 20 4.560 -1.765 4.342 1.00 0.00 H new ATOM 0 HA ILE A 20 2.778 -2.925 6.351 1.00 0.00 H new ATOM 0 HB ILE A 20 5.160 -4.227 4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.159 -5.258 3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.357 -3.757 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.944 -6.304 5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.304 -5.367 6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.661 -5.353 6.286 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.464 -3.584 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.211 -2.472 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.025 -3.996 2.570 1.00 0.00 H new ATOM 265 N ARG A 21 4.363 -3.096 8.289 1.00 0.00 N ATOM 266 CA ARG A 21 5.220 -2.997 9.465 1.00 0.00 C ATOM 267 C ARG A 21 5.355 -4.352 10.154 1.00 0.00 C ATOM 268 O ARG A 21 4.502 -5.225 10.001 1.00 0.00 O ATOM 269 CB ARG A 21 4.657 -1.967 10.447 1.00 0.00 C ATOM 270 CG ARG A 21 5.144 -0.551 10.189 1.00 0.00 C ATOM 271 CD ARG A 21 4.915 0.345 11.397 1.00 0.00 C ATOM 272 NE ARG A 21 6.005 0.248 12.364 1.00 0.00 N ATOM 273 CZ ARG A 21 6.213 1.138 13.328 1.00 0.00 C ATOM 274 NH1 ARG A 21 5.410 2.186 13.452 1.00 0.00 N ATOM 275 NH2 ARG A 21 7.226 0.981 14.170 1.00 0.00 N ATOM 0 H ARG A 21 3.433 -3.472 8.474 1.00 0.00 H new ATOM 0 HA ARG A 21 6.209 -2.675 9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.568 -1.983 10.393 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.930 -2.257 11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.206 -0.569 9.944 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.624 -0.138 9.324 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.814 1.379 11.067 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.977 0.071 11.879 1.00 0.00 H new ATOM 0 HE ARG A 21 6.641 -0.546 12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.630 2.310 12.806 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.572 2.868 14.193 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.846 0.176 14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.385 1.665 14.910 1.00 0.00 H new ATOM 289 N ASN A 22 6.433 -4.519 10.913 1.00 0.00 N ATOM 290 CA ASN A 22 6.681 -5.767 11.625 1.00 0.00 C ATOM 291 C ASN A 22 6.987 -6.899 10.648 1.00 0.00 C ATOM 292 O ASN A 22 6.525 -8.027 10.823 1.00 0.00 O ATOM 293 CB ASN A 22 5.472 -6.136 12.487 1.00 0.00 C ATOM 294 CG ASN A 22 5.843 -7.044 13.643 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.769 -6.756 14.402 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.118 -8.148 13.783 1.00 0.00 N ATOM 0 H ASN A 22 7.149 -3.806 11.051 1.00 0.00 H new ATOM 0 HA ASN A 22 7.548 -5.622 12.270 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.015 -5.226 12.875 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.724 -6.629 11.867 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.319 -8.797 14.543 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.360 -8.346 13.130 1.00 0.00 H new ATOM 303 N LEU A 23 7.768 -6.590 9.619 1.00 0.00 N ATOM 304 CA LEU A 23 8.137 -7.580 8.613 1.00 0.00 C ATOM 305 C LEU A 23 9.190 -8.541 9.156 1.00 0.00 C ATOM 306 O LEU A 23 10.039 -8.157 9.960 1.00 0.00 O ATOM 307 CB LEU A 23 8.661 -6.887 7.355 1.00 0.00 C ATOM 308 CG LEU A 23 7.604 -6.280 6.432 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.256 -5.392 5.384 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.782 -7.376 5.769 1.00 0.00 C ATOM 0 H LEU A 23 8.158 -5.661 9.459 1.00 0.00 H new ATOM 0 HA LEU A 23 7.246 -8.154 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.346 -6.096 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.243 -7.609 6.782 1.00 0.00 H new ATOM 0 HG LEU A 23 6.935 -5.665 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.488 -4.969 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.799 -4.586 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.949 -5.984 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.035 -6.926 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.438 -8.018 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.284 -7.971 6.535 1.00 0.00 H new ATOM 322 N SER A 24 9.131 -9.791 8.708 1.00 0.00 N ATOM 323 CA SER A 24 10.079 -10.807 9.150 1.00 0.00 C ATOM 324 C SER A 24 11.345 -10.774 8.299 1.00 0.00 C ATOM 325 O SER A 24 11.289 -10.553 7.089 1.00 0.00 O ATOM 326 CB SER A 24 9.440 -12.195 9.080 1.00 0.00 C ATOM 327 OG SER A 24 10.042 -13.081 10.008 1.00 0.00 O ATOM 0 H SER A 24 8.437 -10.124 8.039 1.00 0.00 H new ATOM 0 HA SER A 24 10.350 -10.592 10.183 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.372 -12.118 9.286 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.542 -12.595 8.071 1.00 0.00 H new ATOM 0 HG SER A 24 9.615 -13.961 9.945 1.00 0.00 H new ATOM 333 N PHE A 25 12.487 -10.997 8.941 1.00 0.00 N ATOM 334 CA PHE A 25 13.769 -10.992 8.246 1.00 0.00 C ATOM 335 C PHE A 25 13.718 -11.882 7.007 1.00 0.00 C ATOM 336 O PHE A 25 14.339 -11.581 5.987 1.00 0.00 O ATOM 337 CB PHE A 25 14.883 -11.465 9.182 1.00 0.00 C ATOM 338 CG PHE A 25 16.231 -10.895 8.844 1.00 0.00 C ATOM 339 CD1 PHE A 25 16.431 -9.525 8.812 1.00 0.00 C ATOM 340 CD2 PHE A 25 17.299 -11.731 8.559 1.00 0.00 C ATOM 341 CE1 PHE A 25 17.670 -8.997 8.502 1.00 0.00 C ATOM 342 CE2 PHE A 25 18.541 -11.210 8.249 1.00 0.00 C ATOM 343 CZ PHE A 25 18.726 -9.841 8.219 1.00 0.00 C ATOM 0 H PHE A 25 12.551 -11.183 9.942 1.00 0.00 H new ATOM 0 HA PHE A 25 13.979 -9.970 7.930 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.628 -11.191 10.206 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.938 -12.553 9.148 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.608 -8.861 9.032 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.159 -12.802 8.579 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.812 -7.927 8.481 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.366 -11.872 8.030 1.00 0.00 H new ATOM 0 HZ PHE A 25 19.695 -9.432 7.975 1.00 0.00 H new ATOM 353 N ASP A 26 12.976 -12.980 7.104 1.00 0.00 N ATOM 354 CA ASP A 26 12.843 -13.914 5.993 1.00 0.00 C ATOM 355 C ASP A 26 12.052 -13.288 4.848 1.00 0.00 C ATOM 356 O ASP A 26 12.342 -13.528 3.676 1.00 0.00 O ATOM 357 CB ASP A 26 12.159 -15.200 6.459 1.00 0.00 C ATOM 358 CG ASP A 26 12.875 -15.846 7.629 1.00 0.00 C ATOM 359 OD1 ASP A 26 13.105 -15.150 8.641 1.00 0.00 O ATOM 360 OD2 ASP A 26 13.204 -17.046 7.534 1.00 0.00 O ATOM 0 H ASP A 26 12.457 -13.245 7.941 1.00 0.00 H new ATOM 0 HA ASP A 26 13.843 -14.154 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.131 -14.978 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.115 -15.906 5.629 1.00 0.00 H new ATOM 365 N SER A 27 11.051 -12.486 5.197 1.00 0.00 N ATOM 366 CA SER A 27 10.215 -11.830 4.199 1.00 0.00 C ATOM 367 C SER A 27 11.034 -11.448 2.970 1.00 0.00 C ATOM 368 O SER A 27 12.221 -11.138 3.073 1.00 0.00 O ATOM 369 CB SER A 27 9.557 -10.584 4.794 1.00 0.00 C ATOM 370 OG SER A 27 10.446 -9.480 4.778 1.00 0.00 O ATOM 0 H SER A 27 10.800 -12.275 6.163 1.00 0.00 H new ATOM 0 HA SER A 27 9.439 -12.532 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.658 -10.339 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.244 -10.788 5.818 1.00 0.00 H new ATOM 0 HG SER A 27 11.004 -9.498 5.583 1.00 0.00 H new ATOM 376 N GLU A 28 10.391 -11.473 1.806 1.00 0.00 N ATOM 377 CA GLU A 28 11.060 -11.130 0.557 1.00 0.00 C ATOM 378 C GLU A 28 10.129 -10.344 -0.361 1.00 0.00 C ATOM 379 O GLU A 28 8.962 -10.698 -0.528 1.00 0.00 O ATOM 380 CB GLU A 28 11.544 -12.397 -0.153 1.00 0.00 C ATOM 381 CG GLU A 28 12.421 -13.283 0.715 1.00 0.00 C ATOM 382 CD GLU A 28 13.189 -14.313 -0.091 1.00 0.00 C ATOM 383 OE1 GLU A 28 12.663 -14.762 -1.131 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.314 -14.669 0.318 1.00 0.00 O ATOM 0 H GLU A 28 9.409 -11.727 1.703 1.00 0.00 H new ATOM 0 HA GLU A 28 11.920 -10.504 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.679 -12.970 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.100 -12.113 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.125 -12.661 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.800 -13.793 1.451 1.00 0.00 H new ATOM 391 N GLU A 29 10.654 -9.276 -0.953 1.00 0.00 N ATOM 392 CA GLU A 29 9.869 -8.439 -1.853 1.00 0.00 C ATOM 393 C GLU A 29 8.910 -9.285 -2.685 1.00 0.00 C ATOM 394 O GLU A 29 7.741 -8.938 -2.847 1.00 0.00 O ATOM 395 CB GLU A 29 10.791 -7.638 -2.775 1.00 0.00 C ATOM 396 CG GLU A 29 10.122 -6.425 -3.401 1.00 0.00 C ATOM 397 CD GLU A 29 11.052 -5.654 -4.317 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.914 -4.912 -3.801 1.00 0.00 O ATOM 399 OE2 GLU A 29 10.918 -5.793 -5.551 1.00 0.00 O ATOM 0 H GLU A 29 11.619 -8.970 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 29 9.284 -7.748 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.662 -7.310 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.155 -8.291 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.247 -6.748 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.765 -5.764 -2.611 1.00 0.00 H new ATOM 406 N GLU A 30 9.415 -10.397 -3.211 1.00 0.00 N ATOM 407 CA GLU A 30 8.603 -11.292 -4.028 1.00 0.00 C ATOM 408 C GLU A 30 7.401 -11.806 -3.241 1.00 0.00 C ATOM 409 O GLU A 30 6.253 -11.575 -3.619 1.00 0.00 O ATOM 410 CB GLU A 30 9.445 -12.470 -4.523 1.00 0.00 C ATOM 411 CG GLU A 30 10.914 -12.132 -4.710 1.00 0.00 C ATOM 412 CD GLU A 30 11.629 -13.118 -5.614 1.00 0.00 C ATOM 413 OE1 GLU A 30 11.590 -12.927 -6.848 1.00 0.00 O ATOM 414 OE2 GLU A 30 12.227 -14.080 -5.088 1.00 0.00 O ATOM 0 H GLU A 30 10.381 -10.699 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 30 8.239 -10.729 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.358 -13.292 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.039 -12.823 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.002 -11.130 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.406 -12.114 -3.737 1.00 0.00 H new ATOM 421 N ALA A 31 7.674 -12.506 -2.145 1.00 0.00 N ATOM 422 CA ALA A 31 6.617 -13.052 -1.304 1.00 0.00 C ATOM 423 C ALA A 31 5.694 -11.949 -0.797 1.00 0.00 C ATOM 424 O ALA A 31 4.482 -11.991 -1.014 1.00 0.00 O ATOM 425 CB ALA A 31 7.215 -13.821 -0.135 1.00 0.00 C ATOM 0 H ALA A 31 8.619 -12.708 -1.819 1.00 0.00 H new ATOM 0 HA ALA A 31 6.024 -13.737 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.413 -14.223 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.827 -14.640 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.834 -13.152 0.462 1.00 0.00 H new ATOM 431 N LEU A 32 6.273 -10.964 -0.120 1.00 0.00 N ATOM 432 CA LEU A 32 5.502 -9.849 0.419 1.00 0.00 C ATOM 433 C LEU A 32 4.446 -9.385 -0.579 1.00 0.00 C ATOM 434 O LEU A 32 3.271 -9.255 -0.239 1.00 0.00 O ATOM 435 CB LEU A 32 6.430 -8.686 0.775 1.00 0.00 C ATOM 436 CG LEU A 32 5.773 -7.489 1.462 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.828 -6.525 1.979 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.823 -6.781 0.507 1.00 0.00 C ATOM 0 H LEU A 32 7.274 -10.914 0.069 1.00 0.00 H new ATOM 0 HA LEU A 32 4.997 -10.192 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.220 -9.063 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.909 -8.337 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 32 5.196 -7.854 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.341 -5.679 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.468 -7.037 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.432 -6.166 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.364 -5.932 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.377 -6.429 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.046 -7.475 0.186 1.00 0.00 H new ATOM 450 N GLY A 33 4.873 -9.138 -1.814 1.00 0.00 N ATOM 451 CA GLY A 33 3.952 -8.693 -2.843 1.00 0.00 C ATOM 452 C GLY A 33 2.874 -9.717 -3.138 1.00 0.00 C ATOM 453 O GLY A 33 1.684 -9.416 -3.055 1.00 0.00 O ATOM 0 H GLY A 33 5.841 -9.238 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.486 -7.759 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.507 -8.481 -3.757 1.00 0.00 H new ATOM 457 N GLU A 34 3.292 -10.931 -3.485 1.00 0.00 N ATOM 458 CA GLU A 34 2.352 -12.002 -3.796 1.00 0.00 C ATOM 459 C GLU A 34 1.259 -12.091 -2.735 1.00 0.00 C ATOM 460 O GLU A 34 0.174 -12.616 -2.988 1.00 0.00 O ATOM 461 CB GLU A 34 3.086 -13.340 -3.902 1.00 0.00 C ATOM 462 CG GLU A 34 3.688 -13.597 -5.273 1.00 0.00 C ATOM 463 CD GLU A 34 4.291 -14.983 -5.395 1.00 0.00 C ATOM 464 OE1 GLU A 34 5.476 -15.149 -5.039 1.00 0.00 O ATOM 465 OE2 GLU A 34 3.576 -15.903 -5.847 1.00 0.00 O ATOM 0 H GLU A 34 4.274 -11.197 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 34 1.886 -11.775 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.879 -13.370 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.392 -14.146 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.917 -13.472 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.457 -12.851 -5.473 1.00 0.00 H new ATOM 472 N VAL A 35 1.553 -11.575 -1.546 1.00 0.00 N ATOM 473 CA VAL A 35 0.596 -11.596 -0.446 1.00 0.00 C ATOM 474 C VAL A 35 -0.444 -10.492 -0.601 1.00 0.00 C ATOM 475 O VAL A 35 -1.621 -10.685 -0.296 1.00 0.00 O ATOM 476 CB VAL A 35 1.301 -11.436 0.914 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.280 -11.360 2.039 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.277 -12.579 1.146 1.00 0.00 C ATOM 0 H VAL A 35 2.446 -11.137 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 35 0.099 -12.566 -0.477 1.00 0.00 H new ATOM 0 HB VAL A 35 1.865 -10.503 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.797 -11.247 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.376 -10.504 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.314 -12.274 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.766 -12.450 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.737 -13.526 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.028 -12.582 0.356 1.00 0.00 H new ATOM 488 N LEU A 36 -0.001 -9.334 -1.078 1.00 0.00 N ATOM 489 CA LEU A 36 -0.894 -8.196 -1.274 1.00 0.00 C ATOM 490 C LEU A 36 -1.577 -8.270 -2.636 1.00 0.00 C ATOM 491 O LEU A 36 -2.651 -7.702 -2.833 1.00 0.00 O ATOM 492 CB LEU A 36 -0.115 -6.885 -1.151 1.00 0.00 C ATOM 493 CG LEU A 36 0.769 -6.743 0.088 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.631 -5.494 -0.011 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.082 -6.707 1.349 1.00 0.00 C ATOM 0 H LEU A 36 0.970 -9.158 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.662 -8.229 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.513 -6.774 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.827 -6.060 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 36 1.427 -7.610 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.253 -5.410 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.268 -5.560 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.991 -4.615 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.564 -6.606 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.765 -5.859 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.655 -7.631 1.428 1.00 0.00 H new ATOM 507 N GLN A 37 -0.948 -8.974 -3.571 1.00 0.00 N ATOM 508 CA GLN A 37 -1.497 -9.123 -4.914 1.00 0.00 C ATOM 509 C GLN A 37 -2.875 -9.773 -4.869 1.00 0.00 C ATOM 510 O GLN A 37 -3.726 -9.503 -5.716 1.00 0.00 O ATOM 511 CB GLN A 37 -0.554 -9.956 -5.784 1.00 0.00 C ATOM 512 CG GLN A 37 0.686 -9.200 -6.234 1.00 0.00 C ATOM 513 CD GLN A 37 1.372 -9.857 -7.416 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.796 -9.973 -8.497 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.611 -10.290 -7.215 1.00 0.00 N ATOM 0 H GLN A 37 -0.058 -9.450 -3.424 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.599 -8.129 -5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.247 -10.842 -5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.096 -10.304 -6.663 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.409 -8.180 -6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.388 -9.133 -5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.050 -10.173 -6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.124 -10.740 -7.974 1.00 0.00 H new ATOM 524 N GLN A 38 -3.087 -10.632 -3.877 1.00 0.00 N ATOM 525 CA GLN A 38 -4.363 -11.322 -3.724 1.00 0.00 C ATOM 526 C GLN A 38 -5.526 -10.340 -3.810 1.00 0.00 C ATOM 527 O GLN A 38 -6.504 -10.581 -4.519 1.00 0.00 O ATOM 528 CB GLN A 38 -4.406 -12.067 -2.389 1.00 0.00 C ATOM 529 CG GLN A 38 -4.765 -11.179 -1.208 1.00 0.00 C ATOM 530 CD GLN A 38 -4.746 -11.926 0.111 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.678 -11.824 0.909 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.681 -12.683 0.348 1.00 0.00 N ATOM 0 H GLN A 38 -2.392 -10.867 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.459 -12.042 -4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.132 -12.877 -2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.434 -12.525 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.065 -10.345 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.756 -10.754 -1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.931 -12.739 -0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.613 -13.209 1.219 1.00 0.00 H new ATOM 541 N PHE A 39 -5.415 -9.232 -3.084 1.00 0.00 N ATOM 542 CA PHE A 39 -6.459 -8.214 -3.078 1.00 0.00 C ATOM 543 C PHE A 39 -6.529 -7.499 -4.424 1.00 0.00 C ATOM 544 O PHE A 39 -7.585 -7.437 -5.052 1.00 0.00 O ATOM 545 CB PHE A 39 -6.204 -7.200 -1.961 1.00 0.00 C ATOM 546 CG PHE A 39 -6.113 -7.821 -0.597 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.255 -8.043 0.156 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.885 -8.182 -0.066 1.00 0.00 C ATOM 549 CE1 PHE A 39 -7.175 -8.614 1.412 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.798 -8.754 1.189 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.944 -8.970 1.929 1.00 0.00 C ATOM 0 H PHE A 39 -4.613 -9.017 -2.492 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.414 -8.708 -2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.277 -6.666 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.005 -6.461 -1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.219 -7.766 -0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.985 -8.014 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.073 -8.782 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.835 -9.032 1.591 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.878 -9.416 2.910 1.00 0.00 H new ATOM 561 N GLY A 40 -5.395 -6.958 -4.860 1.00 0.00 N ATOM 562 CA GLY A 40 -5.349 -6.253 -6.128 1.00 0.00 C ATOM 563 C GLY A 40 -3.957 -6.229 -6.728 1.00 0.00 C ATOM 564 O GLY A 40 -2.984 -6.599 -6.070 1.00 0.00 O ATOM 0 H GLY A 40 -4.508 -6.995 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.035 -6.728 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.697 -5.230 -5.984 1.00 0.00 H new ATOM 568 N ASP A 41 -3.862 -5.794 -7.979 1.00 0.00 N ATOM 569 CA ASP A 41 -2.578 -5.724 -8.668 1.00 0.00 C ATOM 570 C ASP A 41 -1.690 -4.647 -8.055 1.00 0.00 C ATOM 571 O ASP A 41 -2.058 -3.472 -8.015 1.00 0.00 O ATOM 572 CB ASP A 41 -2.789 -5.442 -10.157 1.00 0.00 C ATOM 573 CG ASP A 41 -3.913 -6.270 -10.749 1.00 0.00 C ATOM 574 OD1 ASP A 41 -3.871 -7.510 -10.614 1.00 0.00 O ATOM 575 OD2 ASP A 41 -4.835 -5.676 -11.348 1.00 0.00 O ATOM 0 H ASP A 41 -4.658 -5.485 -8.537 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.080 -6.687 -8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.009 -4.384 -10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.865 -5.649 -10.698 1.00 0.00 H new ATOM 580 N LEU A 42 -0.520 -5.054 -7.576 1.00 0.00 N ATOM 581 CA LEU A 42 0.422 -4.123 -6.963 1.00 0.00 C ATOM 582 C LEU A 42 1.177 -3.332 -8.026 1.00 0.00 C ATOM 583 O LEU A 42 1.900 -3.903 -8.843 1.00 0.00 O ATOM 584 CB LEU A 42 1.411 -4.879 -6.075 1.00 0.00 C ATOM 585 CG LEU A 42 0.847 -5.444 -4.770 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.664 -6.641 -4.310 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.818 -4.369 -3.693 1.00 0.00 C ATOM 0 H LEU A 42 -0.200 -6.022 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.145 -3.422 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.831 -5.703 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.235 -4.209 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.175 -5.776 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.248 -7.030 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.633 -7.418 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.697 -6.335 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.414 -4.788 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.830 -4.006 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.189 -3.542 -4.022 1.00 0.00 H new ATOM 599 N LYS A 43 1.005 -2.015 -8.010 1.00 0.00 N ATOM 600 CA LYS A 43 1.672 -1.144 -8.970 1.00 0.00 C ATOM 601 C LYS A 43 3.188 -1.254 -8.843 1.00 0.00 C ATOM 602 O LYS A 43 3.907 -1.245 -9.843 1.00 0.00 O ATOM 603 CB LYS A 43 1.237 0.309 -8.760 1.00 0.00 C ATOM 604 CG LYS A 43 2.013 1.304 -9.605 1.00 0.00 C ATOM 605 CD LYS A 43 1.352 1.523 -10.956 1.00 0.00 C ATOM 606 CE LYS A 43 1.733 2.869 -11.552 1.00 0.00 C ATOM 607 NZ LYS A 43 3.027 2.805 -12.286 1.00 0.00 N ATOM 0 H LYS A 43 0.409 -1.527 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 43 1.384 -1.462 -9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.176 0.399 -8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.357 0.567 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.085 2.254 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.031 0.943 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.645 0.726 -11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.269 1.466 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.947 3.201 -12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.803 3.611 -10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.251 3.742 -12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.782 2.513 -11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.953 2.115 -13.061 1.00 0.00 H new ATOM 621 N TYR A 44 3.668 -1.361 -7.609 1.00 0.00 N ATOM 622 CA TYR A 44 5.099 -1.473 -7.352 1.00 0.00 C ATOM 623 C TYR A 44 5.362 -1.906 -5.913 1.00 0.00 C ATOM 624 O TYR A 44 4.789 -1.355 -4.972 1.00 0.00 O ATOM 625 CB TYR A 44 5.794 -0.139 -7.630 1.00 0.00 C ATOM 626 CG TYR A 44 5.891 0.758 -6.417 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.763 0.460 -5.377 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.111 1.902 -6.309 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.856 1.276 -4.266 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.198 2.725 -5.203 1.00 0.00 C ATOM 631 CZ TYR A 44 6.071 2.407 -4.184 1.00 0.00 C ATOM 632 OH TYR A 44 6.159 3.223 -3.079 1.00 0.00 O ATOM 0 H TYR A 44 3.087 -1.373 -6.771 1.00 0.00 H new ATOM 0 HA TYR A 44 5.504 -2.233 -8.021 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.797 -0.334 -8.008 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.253 0.386 -8.417 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.379 -0.425 -5.438 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.424 2.153 -7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.539 1.030 -3.467 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.586 3.612 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 44 5.541 3.977 -3.179 1.00 0.00 H new ATOM 642 N VAL A 45 6.233 -2.896 -5.750 1.00 0.00 N ATOM 643 CA VAL A 45 6.575 -3.403 -4.426 1.00 0.00 C ATOM 644 C VAL A 45 8.061 -3.226 -4.137 1.00 0.00 C ATOM 645 O VAL A 45 8.909 -3.823 -4.801 1.00 0.00 O ATOM 646 CB VAL A 45 6.209 -4.892 -4.284 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.770 -5.693 -5.449 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.714 -5.440 -2.958 1.00 0.00 C ATOM 0 H VAL A 45 6.715 -3.363 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 45 5.997 -2.824 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 45 5.123 -4.985 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.501 -6.743 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.356 -5.315 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.856 -5.596 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.447 -6.493 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.798 -5.336 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.260 -4.884 -2.138 1.00 0.00 H new ATOM 658 N ARG A 46 8.370 -2.402 -3.141 1.00 0.00 N ATOM 659 CA ARG A 46 9.755 -2.146 -2.763 1.00 0.00 C ATOM 660 C ARG A 46 9.929 -2.224 -1.249 1.00 0.00 C ATOM 661 O ARG A 46 9.180 -1.604 -0.495 1.00 0.00 O ATOM 662 CB ARG A 46 10.197 -0.771 -3.268 1.00 0.00 C ATOM 663 CG ARG A 46 11.681 -0.688 -3.587 1.00 0.00 C ATOM 664 CD ARG A 46 12.012 -1.397 -4.890 1.00 0.00 C ATOM 665 NE ARG A 46 13.414 -1.231 -5.263 1.00 0.00 N ATOM 666 CZ ARG A 46 13.934 -1.697 -6.394 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.171 -2.354 -7.257 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.219 -1.506 -6.662 1.00 0.00 N ATOM 0 H ARG A 46 7.680 -1.900 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 46 10.379 -2.913 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.627 -0.521 -4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.953 -0.021 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.982 0.358 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.254 -1.133 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.786 -2.459 -4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.377 -1.008 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 46 14.028 -0.730 -4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.183 -2.503 -7.054 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.573 -2.711 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.809 -1.001 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.618 -1.864 -7.530 1.00 0.00 H new ATOM 682 N VAL A 47 10.923 -2.991 -0.812 1.00 0.00 N ATOM 683 CA VAL A 47 11.196 -3.150 0.612 1.00 0.00 C ATOM 684 C VAL A 47 12.553 -2.560 0.980 1.00 0.00 C ATOM 685 O VAL A 47 13.579 -2.932 0.410 1.00 0.00 O ATOM 686 CB VAL A 47 11.164 -4.632 1.027 1.00 0.00 C ATOM 687 CG1 VAL A 47 11.896 -5.490 0.006 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.764 -4.810 2.413 1.00 0.00 C ATOM 0 H VAL A 47 11.552 -3.512 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 47 10.412 -2.614 1.147 1.00 0.00 H new ATOM 0 HB VAL A 47 10.125 -4.959 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.862 -6.534 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.417 -5.386 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.934 -5.166 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.733 -5.864 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.798 -4.466 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.191 -4.228 3.135 1.00 0.00 H new ATOM 698 N VAL A 48 12.551 -1.638 1.937 1.00 0.00 N ATOM 699 CA VAL A 48 13.783 -0.997 2.384 1.00 0.00 C ATOM 700 C VAL A 48 14.761 -2.020 2.950 1.00 0.00 C ATOM 701 O VAL A 48 14.489 -2.657 3.969 1.00 0.00 O ATOM 702 CB VAL A 48 13.501 0.075 3.454 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.872 -0.554 4.687 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.780 0.814 3.816 1.00 0.00 C ATOM 0 H VAL A 48 11.710 -1.318 2.418 1.00 0.00 H new ATOM 0 HA VAL A 48 14.227 -0.520 1.510 1.00 0.00 H new ATOM 0 HB VAL A 48 12.795 0.797 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.680 0.218 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.933 -1.034 4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.552 -1.298 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.563 1.568 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.511 0.106 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.184 1.298 2.927 1.00 0.00 H new ATOM 857 N GLY A 58 12.861 -4.314 8.259 1.00 0.00 N ATOM 858 CA GLY A 58 11.770 -4.529 9.191 1.00 0.00 C ATOM 859 C GLY A 58 10.434 -4.078 8.635 1.00 0.00 C ATOM 860 O GLY A 58 9.381 -4.464 9.142 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.716 -5.588 9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.975 -3.990 10.116 1.00 0.00 H new ATOM 864 N CYS A 59 10.477 -3.257 7.591 1.00 0.00 N ATOM 865 CA CYS A 59 9.260 -2.751 6.967 1.00 0.00 C ATOM 866 C CYS A 59 9.442 -2.605 5.460 1.00 0.00 C ATOM 867 O CYS A 59 10.557 -2.697 4.948 1.00 0.00 O ATOM 868 CB CYS A 59 8.871 -1.404 7.578 1.00 0.00 C ATOM 869 SG CYS A 59 8.940 -1.366 9.385 1.00 0.00 S ATOM 0 H CYS A 59 11.341 -2.928 7.160 1.00 0.00 H new ATOM 0 HA CYS A 59 8.461 -3.470 7.151 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.533 -0.633 7.183 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.860 -1.150 7.258 1.00 0.00 H new ATOM 0 HG CYS A 59 8.596 -0.186 9.808 1.00 0.00 H new ATOM 875 N ALA A 60 8.338 -2.379 4.755 1.00 0.00 N ATOM 876 CA ALA A 60 8.376 -2.220 3.306 1.00 0.00 C ATOM 877 C ALA A 60 7.222 -1.351 2.819 1.00 0.00 C ATOM 878 O ALA A 60 6.236 -1.156 3.529 1.00 0.00 O ATOM 879 CB ALA A 60 8.340 -3.580 2.625 1.00 0.00 C ATOM 0 H ALA A 60 7.407 -2.302 5.164 1.00 0.00 H new ATOM 0 HA ALA A 60 9.308 -1.720 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.369 -3.446 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.202 -4.168 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.424 -4.101 2.902 1.00 0.00 H new ATOM 885 N PHE A 61 7.352 -0.830 1.603 1.00 0.00 N ATOM 886 CA PHE A 61 6.320 0.020 1.021 1.00 0.00 C ATOM 887 C PHE A 61 5.854 -0.533 -0.323 1.00 0.00 C ATOM 888 O PHE A 61 6.662 -0.978 -1.137 1.00 0.00 O ATOM 889 CB PHE A 61 6.844 1.446 0.845 1.00 0.00 C ATOM 890 CG PHE A 61 7.479 2.009 2.084 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.777 1.666 2.430 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.780 2.881 2.902 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.363 2.182 3.570 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.361 3.401 4.044 1.00 0.00 C ATOM 895 CZ PHE A 61 8.655 3.051 4.377 1.00 0.00 C ATOM 0 H PHE A 61 8.162 -0.982 1.002 1.00 0.00 H new ATOM 0 HA PHE A 61 5.469 0.035 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.573 1.459 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.020 2.093 0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.336 0.988 1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.768 3.158 2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.374 1.906 3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.804 4.079 4.674 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.113 3.456 5.267 1.00 0.00 H new ATOM 905 N ALA A 62 4.544 -0.500 -0.547 1.00 0.00 N ATOM 906 CA ALA A 62 3.970 -0.996 -1.792 1.00 0.00 C ATOM 907 C ALA A 62 2.869 -0.069 -2.296 1.00 0.00 C ATOM 908 O ALA A 62 2.443 0.844 -1.589 1.00 0.00 O ATOM 909 CB ALA A 62 3.429 -2.405 -1.599 1.00 0.00 C ATOM 0 H ALA A 62 3.861 -0.135 0.117 1.00 0.00 H new ATOM 0 HA ALA A 62 4.760 -1.021 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.003 -2.763 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.239 -3.067 -1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.657 -2.396 -0.830 1.00 0.00 H new ATOM 915 N GLN A 63 2.415 -0.309 -3.522 1.00 0.00 N ATOM 916 CA GLN A 63 1.365 0.507 -4.120 1.00 0.00 C ATOM 917 C GLN A 63 0.360 -0.363 -4.869 1.00 0.00 C ATOM 918 O GLN A 63 0.714 -1.408 -5.416 1.00 0.00 O ATOM 919 CB GLN A 63 1.972 1.540 -5.071 1.00 0.00 C ATOM 920 CG GLN A 63 1.027 2.681 -5.413 1.00 0.00 C ATOM 921 CD GLN A 63 1.274 3.248 -6.797 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.432 3.132 -7.688 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.434 3.867 -6.985 1.00 0.00 N ATOM 0 H GLN A 63 2.757 -1.061 -4.120 1.00 0.00 H new ATOM 0 HA GLN A 63 0.841 1.026 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.875 1.950 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.274 1.041 -5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.002 2.327 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.139 3.474 -4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.103 3.940 -6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.656 4.269 -7.896 1.00 0.00 H new ATOM 932 N PHE A 64 -0.894 0.075 -4.888 1.00 0.00 N ATOM 933 CA PHE A 64 -1.951 -0.665 -5.569 1.00 0.00 C ATOM 934 C PHE A 64 -2.394 0.061 -6.836 1.00 0.00 C ATOM 935 O PHE A 64 -1.984 1.193 -7.091 1.00 0.00 O ATOM 936 CB PHE A 64 -3.148 -0.861 -4.635 1.00 0.00 C ATOM 937 CG PHE A 64 -3.054 -2.101 -3.793 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.439 -3.331 -4.302 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.582 -2.036 -2.492 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.353 -4.474 -3.529 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.494 -3.175 -1.715 1.00 0.00 C ATOM 942 CZ PHE A 64 -2.882 -4.396 -2.234 1.00 0.00 C ATOM 0 H PHE A 64 -1.204 0.938 -4.440 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.554 -1.640 -5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.235 0.007 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.060 -0.904 -5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.810 -3.397 -5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.279 -1.084 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.654 -5.427 -3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.122 -3.111 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.817 -5.287 -1.627 1.00 0.00 H new ATOM 952 N MET A 65 -3.232 -0.600 -7.627 1.00 0.00 N ATOM 953 CA MET A 65 -3.731 -0.018 -8.868 1.00 0.00 C ATOM 954 C MET A 65 -5.099 0.623 -8.656 1.00 0.00 C ATOM 955 O MET A 65 -5.576 1.387 -9.496 1.00 0.00 O ATOM 956 CB MET A 65 -3.820 -1.088 -9.958 1.00 0.00 C ATOM 957 CG MET A 65 -2.470 -1.480 -10.535 1.00 0.00 C ATOM 958 SD MET A 65 -2.580 -2.028 -12.250 1.00 0.00 S ATOM 959 CE MET A 65 -2.056 -0.548 -13.112 1.00 0.00 C ATOM 0 H MET A 65 -3.580 -1.539 -7.431 1.00 0.00 H new ATOM 0 HA MET A 65 -3.032 0.756 -9.184 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.302 -1.975 -9.547 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.458 -0.723 -10.763 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.792 -0.629 -10.472 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.038 -2.277 -9.930 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.071 -0.728 -14.187 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.733 0.272 -12.872 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.044 -0.286 -12.802 1.00 0.00 H new ATOM 969 N THR A 66 -5.727 0.308 -7.527 1.00 0.00 N ATOM 970 CA THR A 66 -7.041 0.852 -7.206 1.00 0.00 C ATOM 971 C THR A 66 -7.131 1.238 -5.734 1.00 0.00 C ATOM 972 O THR A 66 -6.627 0.526 -4.865 1.00 0.00 O ATOM 973 CB THR A 66 -8.160 -0.154 -7.531 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.838 -1.438 -6.987 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.363 -0.271 -9.035 1.00 0.00 C ATOM 0 H THR A 66 -5.347 -0.321 -6.820 1.00 0.00 H new ATOM 0 HA THR A 66 -7.174 1.742 -7.821 1.00 0.00 H new ATOM 0 HB THR A 66 -9.085 0.208 -7.082 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.556 -2.071 -7.197 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.159 -0.987 -9.240 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.637 0.702 -9.442 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.439 -0.612 -9.501 1.00 0.00 H new ATOM 983 N GLN A 67 -7.777 2.367 -5.461 1.00 0.00 N ATOM 984 CA GLN A 67 -7.933 2.845 -4.092 1.00 0.00 C ATOM 985 C GLN A 67 -8.567 1.775 -3.210 1.00 0.00 C ATOM 986 O GLN A 67 -8.089 1.501 -2.110 1.00 0.00 O ATOM 987 CB GLN A 67 -8.786 4.115 -4.068 1.00 0.00 C ATOM 988 CG GLN A 67 -7.984 5.391 -4.271 1.00 0.00 C ATOM 989 CD GLN A 67 -8.842 6.553 -4.729 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.756 6.384 -5.537 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.552 7.742 -4.216 1.00 0.00 N ATOM 0 H GLN A 67 -8.200 2.967 -6.169 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.943 3.073 -3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.547 4.046 -4.846 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.310 4.173 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.488 5.656 -3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.201 5.210 -5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.786 7.837 -3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.095 8.561 -4.488 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.647 1.174 -3.701 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.347 0.135 -2.955 1.00 0.00 C ATOM 1002 C GLU A 68 -9.383 -0.964 -2.518 1.00 0.00 C ATOM 1003 O GLU A 68 -9.499 -1.505 -1.419 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.470 -0.464 -3.805 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.647 -0.970 -2.988 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.403 0.149 -2.299 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -14.146 0.876 -2.991 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -13.251 0.299 -1.068 1.00 0.00 O ATOM 0 H GLU A 68 -10.055 1.389 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.779 0.591 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.824 0.290 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.068 -1.287 -4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.329 -1.516 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.288 -1.676 -2.239 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.432 -1.289 -3.388 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.447 -2.322 -3.092 1.00 0.00 C ATOM 1017 C ALA A 69 -6.765 -2.063 -1.753 1.00 0.00 C ATOM 1018 O ALA A 69 -6.942 -2.820 -0.799 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.414 -2.400 -4.207 1.00 0.00 C ATOM 0 H ALA A 69 -8.323 -0.852 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.967 -3.278 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.684 -3.175 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.911 -2.641 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.906 -1.440 -4.300 1.00 0.00 H new ATOM 1025 N ALA A 70 -5.984 -0.989 -1.690 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.276 -0.630 -0.468 1.00 0.00 C ATOM 1027 C ALA A 70 -6.163 -0.826 0.757 1.00 0.00 C ATOM 1028 O ALA A 70 -5.759 -1.461 1.731 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.788 0.809 -0.544 1.00 0.00 C ATOM 0 H ALA A 70 -5.826 -0.353 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.414 -1.289 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.261 1.064 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.112 0.920 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.641 1.476 -0.670 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.371 -0.276 0.702 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.314 -0.389 1.808 1.00 0.00 C ATOM 1037 C GLN A 71 -8.599 -1.852 2.132 1.00 0.00 C ATOM 1038 O GLN A 71 -8.549 -2.263 3.292 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.619 0.334 1.471 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.429 1.805 1.135 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.336 2.456 1.959 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.613 3.199 2.901 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -7.086 2.180 1.608 1.00 0.00 N ATOM 0 H GLN A 71 -7.720 0.253 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.865 0.078 2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.094 -0.165 0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.301 0.248 2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.188 1.904 0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.367 2.335 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.903 1.559 0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.309 2.589 2.126 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.898 -2.634 1.101 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.191 -4.052 1.274 1.00 0.00 C ATOM 1054 C LYS A 72 -8.037 -4.764 1.972 1.00 0.00 C ATOM 1055 O LYS A 72 -8.236 -5.776 2.646 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.463 -4.707 -0.082 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.789 -4.298 -0.700 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.006 -4.966 -2.047 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.372 -4.627 -2.624 1.00 0.00 C ATOM 1060 NZ LYS A 72 -13.426 -5.562 -2.142 1.00 0.00 N ATOM 0 H LYS A 72 -8.944 -2.309 0.135 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.080 -4.140 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.657 -4.449 -0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.446 -5.790 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.603 -4.564 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.816 -3.215 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.228 -4.649 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.914 -6.047 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.639 -3.606 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.325 -4.663 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.342 -5.297 -2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.185 -6.533 -2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.489 -5.510 -1.105 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.832 -4.230 1.808 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.646 -4.814 2.423 1.00 0.00 C ATOM 1076 C CYS A 73 -5.563 -4.447 3.901 1.00 0.00 C ATOM 1077 O CYS A 73 -5.114 -5.245 4.726 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.385 -4.344 1.697 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.846 -4.738 2.560 1.00 0.00 S ATOM 0 H CYS A 73 -6.651 -3.393 1.254 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.721 -5.898 2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.359 -4.797 0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.442 -3.265 1.553 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.856 -4.124 1.983 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.998 -3.236 4.230 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.972 -2.762 5.609 1.00 0.00 C ATOM 1087 C LEU A 74 -6.898 -3.596 6.489 1.00 0.00 C ATOM 1088 O LEU A 74 -6.451 -4.253 7.429 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.381 -1.289 5.671 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.541 -0.324 4.833 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.094 1.090 4.934 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.086 -0.362 5.275 1.00 0.00 C ATOM 0 H LEU A 74 -6.373 -2.564 3.560 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.954 -2.866 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.420 -1.207 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.341 -0.965 6.711 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.592 -0.639 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.484 1.763 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.121 1.106 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.074 1.415 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.503 0.331 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.017 -0.072 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.694 -1.372 5.151 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.189 -3.565 6.177 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.177 -4.321 6.936 1.00 0.00 C ATOM 1106 C ALA A 75 -8.759 -5.781 7.080 1.00 0.00 C ATOM 1107 O ALA A 75 -9.104 -6.441 8.059 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.542 -4.224 6.271 1.00 0.00 C ATOM 0 H ALA A 75 -8.575 -3.024 5.403 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.240 -3.888 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.270 -4.794 6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.851 -3.180 6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.484 -4.629 5.261 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.015 -6.278 6.097 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.549 -7.659 6.116 1.00 0.00 C ATOM 1116 C ALA A 76 -6.280 -7.800 6.949 1.00 0.00 C ATOM 1117 O ALA A 76 -6.102 -8.785 7.665 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.309 -8.154 4.697 1.00 0.00 C ATOM 0 H ALA A 76 -7.722 -5.745 5.278 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.324 -8.271 6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.961 -9.187 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.239 -8.100 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.555 -7.530 4.217 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.401 -6.808 6.851 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.149 -6.821 7.598 1.00 0.00 C ATOM 1126 C ALA A 77 -4.398 -6.638 9.091 1.00 0.00 C ATOM 1127 O ALA A 77 -3.691 -7.207 9.922 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.214 -5.738 7.079 1.00 0.00 C ATOM 0 H ALA A 77 -5.533 -5.986 6.262 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.678 -7.793 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.283 -5.759 7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.001 -5.916 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.687 -4.763 7.194 1.00 0.00 H new ATOM 1134 N SER A 78 -5.407 -5.839 9.424 1.00 0.00 N ATOM 1135 CA SER A 78 -5.746 -5.577 10.818 1.00 0.00 C ATOM 1136 C SER A 78 -6.538 -6.738 11.412 1.00 0.00 C ATOM 1137 O SER A 78 -7.740 -6.867 11.181 1.00 0.00 O ATOM 1138 CB SER A 78 -6.552 -4.282 10.934 1.00 0.00 C ATOM 1139 OG SER A 78 -6.694 -3.889 12.288 1.00 0.00 O ATOM 0 H SER A 78 -6.004 -5.362 8.748 1.00 0.00 H new ATOM 0 HA SER A 78 -4.817 -5.470 11.378 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.057 -3.490 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.536 -4.422 10.487 1.00 0.00 H new ATOM 0 HG SER A 78 -7.211 -3.058 12.335 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.509 -10.639 8.694 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.507 -11.368 7.925 1.00 0.00 C ATOM 1227 C LEU A 86 -1.250 -11.607 8.756 1.00 0.00 C ATOM 1228 O LEU A 86 -0.862 -10.768 9.570 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.151 -10.597 6.652 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.055 -10.844 5.444 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.451 -10.298 5.701 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.457 -10.216 4.194 1.00 0.00 C ATOM 0 HA LEU A 86 -2.929 -12.335 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.166 -9.531 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.128 -10.849 6.373 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.132 -11.920 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.080 -10.483 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.881 -10.794 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.394 -9.225 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.113 -10.402 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.350 -9.141 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.478 -10.654 3.999 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.616 -12.755 8.544 1.00 0.00 N ATOM 1245 CA LYS A 87 0.599 -13.104 9.270 1.00 0.00 C ATOM 1246 C LYS A 87 1.597 -13.806 8.355 1.00 0.00 C ATOM 1247 O LYS A 87 1.252 -14.763 7.661 1.00 0.00 O ATOM 1248 CB LYS A 87 0.265 -14.002 10.463 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.391 -13.263 11.617 1.00 0.00 C ATOM 1250 CD LYS A 87 -0.055 -13.904 12.953 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.921 -13.346 14.072 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.838 -14.177 15.305 1.00 0.00 N ATOM 0 H LYS A 87 -0.924 -13.460 7.875 1.00 0.00 H new ATOM 0 HA LYS A 87 1.053 -12.182 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.398 -14.801 10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.181 -14.474 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.062 -12.224 11.618 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.472 -13.255 11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.196 -14.983 12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.996 -13.734 13.185 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.608 -12.327 14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.957 -13.294 13.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.442 -13.763 16.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.160 -15.143 15.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.147 -14.206 15.639 1.00 0.00 H new ATOM 1266 N LEU A 88 2.836 -13.327 8.360 1.00 0.00 N ATOM 1267 CA LEU A 88 3.885 -13.910 7.531 1.00 0.00 C ATOM 1268 C LEU A 88 4.979 -14.530 8.394 1.00 0.00 C ATOM 1269 O LEU A 88 5.854 -13.829 8.903 1.00 0.00 O ATOM 1270 CB LEU A 88 4.487 -12.845 6.612 1.00 0.00 C ATOM 1271 CG LEU A 88 5.051 -13.348 5.282 1.00 0.00 C ATOM 1272 CD1 LEU A 88 3.964 -13.378 4.219 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.215 -12.476 4.833 1.00 0.00 C ATOM 0 H LEU A 88 3.139 -12.536 8.929 1.00 0.00 H new ATOM 0 HA LEU A 88 3.438 -14.696 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.720 -12.100 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.285 -12.336 7.153 1.00 0.00 H new ATOM 0 HG LEU A 88 5.418 -14.364 5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.384 -13.738 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.162 -14.044 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.566 -12.373 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.604 -12.848 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.873 -11.449 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.003 -12.506 5.585 1.00 0.00 H new ATOM 1285 N ASP A 89 4.925 -15.848 8.552 1.00 0.00 N ATOM 1286 CA ASP A 89 5.913 -16.564 9.351 1.00 0.00 C ATOM 1287 C ASP A 89 5.719 -16.281 10.837 1.00 0.00 C ATOM 1288 O ASP A 89 6.681 -16.233 11.602 1.00 0.00 O ATOM 1289 CB ASP A 89 7.328 -16.168 8.925 1.00 0.00 C ATOM 1290 CG ASP A 89 8.353 -17.232 9.263 1.00 0.00 C ATOM 1291 OD1 ASP A 89 8.356 -18.288 8.595 1.00 0.00 O ATOM 1292 OD2 ASP A 89 9.154 -17.010 10.194 1.00 0.00 O ATOM 0 H ASP A 89 4.207 -16.442 8.137 1.00 0.00 H new ATOM 0 HA ASP A 89 5.776 -17.632 9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.342 -15.982 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.604 -15.234 9.414 1.00 0.00 H new ATOM 1297 N GLY A 90 4.465 -16.094 11.240 1.00 0.00 N ATOM 1298 CA GLY A 90 4.167 -15.817 12.633 1.00 0.00 C ATOM 1299 C GLY A 90 4.357 -14.355 12.987 1.00 0.00 C ATOM 1300 O GLY A 90 4.514 -14.009 14.158 1.00 0.00 O ATOM 0 H GLY A 90 3.651 -16.129 10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.139 -16.109 12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.810 -16.428 13.267 1.00 0.00 H new ATOM 1304 N ARG A 91 4.346 -13.496 11.974 1.00 0.00 N ATOM 1305 CA ARG A 91 4.521 -12.064 12.184 1.00 0.00 C ATOM 1306 C ARG A 91 3.309 -11.288 11.678 1.00 0.00 C ATOM 1307 O ARG A 91 2.905 -11.432 10.525 1.00 0.00 O ATOM 1308 CB ARG A 91 5.785 -11.574 11.476 1.00 0.00 C ATOM 1309 CG ARG A 91 7.063 -12.202 12.007 1.00 0.00 C ATOM 1310 CD ARG A 91 7.652 -11.386 13.148 1.00 0.00 C ATOM 1311 NE ARG A 91 7.114 -11.790 14.444 1.00 0.00 N ATOM 1312 CZ ARG A 91 7.628 -11.402 15.606 1.00 0.00 C ATOM 1313 NH1 ARG A 91 8.687 -10.605 15.634 1.00 0.00 N ATOM 1314 NH2 ARG A 91 7.082 -11.812 16.744 1.00 0.00 N ATOM 0 H ARG A 91 4.218 -13.767 10.999 1.00 0.00 H new ATOM 0 HA ARG A 91 4.621 -11.889 13.255 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.701 -11.788 10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.852 -10.491 11.579 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.856 -13.215 12.352 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.792 -12.282 11.201 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.736 -11.501 13.154 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.444 -10.329 12.983 1.00 0.00 H new ATOM 0 HE ARG A 91 6.299 -12.403 14.458 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.110 -10.288 14.762 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.079 -10.309 16.528 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.267 -12.425 16.727 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.477 -11.514 17.636 1.00 0.00 H new ATOM 1328 N GLN A 92 2.733 -10.465 12.550 1.00 0.00 N ATOM 1329 CA GLN A 92 1.567 -9.668 12.191 1.00 0.00 C ATOM 1330 C GLN A 92 1.954 -8.526 11.258 1.00 0.00 C ATOM 1331 O GLN A 92 2.646 -7.589 11.659 1.00 0.00 O ATOM 1332 CB GLN A 92 0.898 -9.110 13.449 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.603 -8.921 13.307 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.967 -7.951 12.199 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -0.975 -6.737 12.399 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.272 -8.485 11.022 1.00 0.00 N ATOM 0 H GLN A 92 3.055 -10.334 13.509 1.00 0.00 H new ATOM 0 HA GLN A 92 0.862 -10.316 11.669 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.094 -9.783 14.283 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.354 -8.152 13.699 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.070 -9.886 13.108 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.011 -8.558 14.251 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.252 -9.498 10.901 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.526 -7.883 10.239 1.00 0.00 H new ATOM 1345 N LEU A 93 1.505 -8.609 10.010 1.00 0.00 N ATOM 1346 CA LEU A 93 1.804 -7.583 9.018 1.00 0.00 C ATOM 1347 C LEU A 93 0.878 -6.382 9.180 1.00 0.00 C ATOM 1348 O LEU A 93 -0.325 -6.474 8.932 1.00 0.00 O ATOM 1349 CB LEU A 93 1.673 -8.156 7.606 1.00 0.00 C ATOM 1350 CG LEU A 93 2.455 -9.440 7.328 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.091 -10.001 5.962 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.952 -9.184 7.420 1.00 0.00 C ATOM 0 H LEU A 93 0.932 -9.377 9.661 1.00 0.00 H new ATOM 0 HA LEU A 93 2.830 -7.251 9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.618 -8.347 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.997 -7.396 6.895 1.00 0.00 H new ATOM 0 HG LEU A 93 2.186 -10.177 8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.657 -10.915 5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.024 -10.223 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.330 -9.268 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.492 -10.109 7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.238 -8.430 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.200 -8.829 8.420 1.00 0.00 H new ATOM 1364 N LYS A 94 1.445 -5.255 9.596 1.00 0.00 N ATOM 1365 CA LYS A 94 0.672 -4.034 9.788 1.00 0.00 C ATOM 1366 C LYS A 94 0.688 -3.176 8.527 1.00 0.00 C ATOM 1367 O LYS A 94 1.689 -2.531 8.215 1.00 0.00 O ATOM 1368 CB LYS A 94 1.228 -3.234 10.969 1.00 0.00 C ATOM 1369 CG LYS A 94 0.605 -3.607 12.303 1.00 0.00 C ATOM 1370 CD LYS A 94 0.669 -2.454 13.290 1.00 0.00 C ATOM 1371 CE LYS A 94 -0.196 -2.718 14.513 1.00 0.00 C ATOM 1372 NZ LYS A 94 -1.602 -2.273 14.305 1.00 0.00 N ATOM 0 H LYS A 94 2.439 -5.162 9.807 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.359 -4.316 10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.306 -3.387 11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.066 -2.172 10.786 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.434 -3.900 12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.123 -4.472 12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.702 -2.297 13.601 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.340 -1.537 12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.183 -3.783 14.744 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.225 -2.200 15.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.159 -2.470 15.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.618 -1.252 14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.013 -2.786 13.499 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.428 -3.171 7.805 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.543 -2.391 6.579 1.00 0.00 C ATOM 1388 C VAL A 95 -1.318 -1.100 6.821 1.00 0.00 C ATOM 1389 O VAL A 95 -2.427 -1.121 7.356 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.240 -3.194 5.465 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.208 -2.426 4.153 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.590 -4.561 5.309 1.00 0.00 C ATOM 0 H VAL A 95 -1.266 -3.699 8.049 1.00 0.00 H new ATOM 0 HA VAL A 95 0.471 -2.149 6.261 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.283 -3.342 5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.705 -3.009 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.723 -1.473 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.173 -2.244 3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.094 -5.116 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.462 -4.437 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.671 -5.111 6.246 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.728 0.021 6.421 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.364 1.322 6.593 1.00 0.00 C ATOM 1404 C ASP A 96 -1.121 2.210 5.376 1.00 0.00 C ATOM 1405 O ASP A 96 -0.057 2.157 4.758 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.838 2.009 7.854 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.405 3.404 8.033 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.612 3.520 8.333 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -0.642 4.379 7.875 1.00 0.00 O ATOM 0 H ASP A 96 0.189 0.055 5.976 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.437 1.163 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.088 1.404 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.250 2.065 7.807 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.114 3.024 5.036 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.009 3.924 3.893 1.00 0.00 C ATOM 1416 C LEU A 97 -0.875 4.925 4.089 1.00 0.00 C ATOM 1417 O LEU A 97 -1.031 5.925 4.788 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.329 4.667 3.680 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.482 5.396 2.345 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.136 5.919 1.866 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.101 4.477 1.302 1.00 0.00 C ATOM 0 H LEU A 97 -3.001 3.079 5.536 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.790 3.324 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.145 3.951 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.447 5.394 4.484 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.149 6.246 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.264 6.435 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.732 6.612 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.447 5.085 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.202 5.013 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.461 3.607 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.084 4.152 1.641 1.00 0.00 H new ATOM 1433 N ALA A 98 0.265 4.648 3.465 1.00 0.00 N ATOM 1434 CA ALA A 98 1.424 5.526 3.568 1.00 0.00 C ATOM 1435 C ALA A 98 1.356 6.648 2.538 1.00 0.00 C ATOM 1436 O ALA A 98 0.410 6.729 1.754 1.00 0.00 O ATOM 1437 CB ALA A 98 2.708 4.728 3.398 1.00 0.00 C ATOM 0 H ALA A 98 0.411 3.823 2.883 1.00 0.00 H new ATOM 0 HA ALA A 98 1.419 5.978 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.565 5.397 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.769 3.966 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.711 4.248 2.419 1.00 0.00 H new ATOM 1443 N VAL A 99 2.365 7.514 2.544 1.00 0.00 N ATOM 1444 CA VAL A 99 2.420 8.631 1.609 1.00 0.00 C ATOM 1445 C VAL A 99 3.847 8.886 1.140 1.00 0.00 C ATOM 1446 O VAL A 99 4.760 9.052 1.950 1.00 0.00 O ATOM 1447 CB VAL A 99 1.861 9.920 2.242 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.925 11.072 1.251 1.00 0.00 C ATOM 1449 CG2 VAL A 99 0.436 9.701 2.726 1.00 0.00 C ATOM 0 H VAL A 99 3.156 7.463 3.187 1.00 0.00 H new ATOM 0 HA VAL A 99 1.803 8.358 0.753 1.00 0.00 H new ATOM 0 HB VAL A 99 2.477 10.178 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.526 11.974 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.961 11.243 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.334 10.826 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.057 10.621 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.195 9.418 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.423 8.906 3.472 1.00 0.00 H new