USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 411 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 15 THR OG1 : rot 160:sc= 0.075 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.0772 (180deg=-0.454) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -35:sc= 0.769 USER MOD Single : A 41 THR OG1 : rot 170:sc= -0.0125 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -0.013 (180deg=-0.173) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.0991 USER MOD Single : A 52 GLN : amide:sc= 1.08 K(o=1.1,f=-0.0025) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 68:sc= 1.25 USER MOD Single : A 63 MET CE :methyl -134:sc= 0 (180deg=-0.261) USER MOD ----------------------------------------------------------------- ATOM 170 N LEU A 14 -5.633 6.273 8.274 1.00 73.14 N ATOM 171 CA LEU A 14 -4.385 6.158 7.577 1.00 23.34 C ATOM 172 C LEU A 14 -3.255 6.456 8.536 1.00 74.32 C ATOM 173 O LEU A 14 -3.427 7.261 9.470 1.00 55.41 O ATOM 174 CB LEU A 14 -4.331 7.141 6.385 1.00 33.21 C ATOM 175 CG LEU A 14 -5.470 7.036 5.341 1.00 23.40 C ATOM 176 CD1 LEU A 14 -6.791 7.566 5.871 1.00 64.51 C ATOM 177 CD2 LEU A 14 -5.100 7.718 4.047 1.00 11.44 C ATOM 0 HA LEU A 14 -4.287 5.144 7.189 1.00 23.34 H new ATOM 0 HB2 LEU A 14 -4.327 8.156 6.782 1.00 33.21 H new ATOM 0 HB3 LEU A 14 -3.382 6.997 5.868 1.00 33.21 H new ATOM 0 HG LEU A 14 -5.606 5.974 5.139 1.00 23.40 H new ATOM 0 HD11 LEU A 14 -7.557 7.470 5.101 1.00 64.51 H new ATOM 0 HD12 LEU A 14 -7.086 6.993 6.750 1.00 64.51 H new ATOM 0 HD13 LEU A 14 -6.679 8.616 6.143 1.00 64.51 H new ATOM 0 HD21 LEU A 14 -5.923 7.624 3.338 1.00 11.44 H new ATOM 0 HD22 LEU A 14 -4.902 8.773 4.236 1.00 11.44 H new ATOM 0 HD23 LEU A 14 -4.208 7.250 3.631 1.00 11.44 H new ATOM 189 N THR A 15 -2.129 5.823 8.346 1.00 31.10 N ATOM 190 CA THR A 15 -1.018 6.068 9.206 1.00 62.32 C ATOM 191 C THR A 15 -0.199 7.250 8.676 1.00 35.32 C ATOM 192 O THR A 15 -0.084 7.458 7.451 1.00 51.10 O ATOM 193 CB THR A 15 -0.097 4.804 9.384 1.00 34.05 C ATOM 194 OG1 THR A 15 0.791 5.011 10.488 1.00 61.21 O ATOM 195 CG2 THR A 15 0.757 4.542 8.142 1.00 33.14 C ATOM 0 H THR A 15 -1.963 5.140 7.607 1.00 31.10 H new ATOM 0 HA THR A 15 -1.419 6.308 10.191 1.00 62.32 H new ATOM 0 HB THR A 15 -0.751 3.948 9.554 1.00 34.05 H new ATOM 0 HG1 THR A 15 1.128 4.146 10.804 1.00 61.21 H new ATOM 0 HG21 THR A 15 1.378 3.661 8.306 1.00 33.14 H new ATOM 0 HG22 THR A 15 0.108 4.373 7.283 1.00 33.14 H new ATOM 0 HG23 THR A 15 1.395 5.405 7.950 1.00 33.14 H new ATOM 203 N THR A 16 0.302 8.033 9.587 1.00 23.43 N ATOM 204 CA THR A 16 1.194 9.113 9.275 1.00 22.10 C ATOM 205 C THR A 16 2.609 8.697 9.655 1.00 24.02 C ATOM 206 O THR A 16 3.590 9.436 9.452 1.00 40.43 O ATOM 207 CB THR A 16 0.780 10.376 10.038 1.00 63.44 C ATOM 208 OG1 THR A 16 0.586 10.049 11.431 1.00 40.32 O ATOM 209 CG2 THR A 16 -0.504 10.952 9.460 1.00 50.22 C ATOM 0 H THR A 16 0.100 7.938 10.582 1.00 23.43 H new ATOM 0 HA THR A 16 1.153 9.336 8.209 1.00 22.10 H new ATOM 0 HB THR A 16 1.568 11.123 9.941 1.00 63.44 H new ATOM 0 HG1 THR A 16 0.323 10.855 11.923 1.00 40.32 H new ATOM 0 HG21 THR A 16 -0.783 11.848 10.014 1.00 50.22 H new ATOM 0 HG22 THR A 16 -0.349 11.207 8.412 1.00 50.22 H new ATOM 0 HG23 THR A 16 -1.302 10.214 9.539 1.00 50.22 H new ATOM 217 N GLN A 17 2.700 7.486 10.187 1.00 3.13 N ATOM 218 CA GLN A 17 3.942 6.906 10.614 1.00 71.43 C ATOM 219 C GLN A 17 4.575 6.222 9.425 1.00 72.45 C ATOM 220 O GLN A 17 3.957 6.154 8.363 1.00 10.13 O ATOM 221 CB GLN A 17 3.678 5.920 11.743 1.00 75.10 C ATOM 222 CG GLN A 17 2.927 6.550 12.905 1.00 31.20 C ATOM 223 CD GLN A 17 2.577 5.574 13.997 1.00 4.34 C ATOM 224 OE1 GLN A 17 3.296 4.599 14.244 1.00 3.34 O ATOM 225 NE2 GLN A 17 1.467 5.805 14.649 1.00 24.22 N ATOM 0 H GLN A 17 1.893 6.878 10.331 1.00 3.13 H new ATOM 0 HA GLN A 17 4.622 7.670 10.990 1.00 71.43 H new ATOM 0 HB2 GLN A 17 3.104 5.078 11.358 1.00 75.10 H new ATOM 0 HB3 GLN A 17 4.627 5.521 12.102 1.00 75.10 H new ATOM 0 HG2 GLN A 17 3.533 7.352 13.326 1.00 31.20 H new ATOM 0 HG3 GLN A 17 2.011 7.006 12.530 1.00 31.20 H new ATOM 0 HE21 GLN A 17 0.900 6.620 14.417 1.00 24.22 H new ATOM 0 HE22 GLN A 17 1.169 5.170 15.389 1.00 24.22 H new ATOM 234 N ARG A 18 5.773 5.715 9.569 1.00 63.24 N ATOM 235 CA ARG A 18 6.424 5.137 8.431 1.00 5.15 C ATOM 236 C ARG A 18 6.723 3.672 8.605 1.00 65.41 C ATOM 237 O ARG A 18 6.899 3.164 9.721 1.00 61.33 O ATOM 238 CB ARG A 18 7.708 5.871 8.068 1.00 43.43 C ATOM 239 CG ARG A 18 7.544 7.350 7.820 1.00 22.11 C ATOM 240 CD ARG A 18 8.758 7.908 7.117 1.00 20.23 C ATOM 241 NE ARG A 18 10.007 7.708 7.864 1.00 3.34 N ATOM 242 CZ ARG A 18 11.214 7.584 7.289 1.00 74.30 C ATOM 243 NH1 ARG A 18 11.322 7.574 5.967 1.00 1.40 N ATOM 244 NH2 ARG A 18 12.301 7.454 8.035 1.00 15.13 N ATOM 0 H ARG A 18 6.303 5.692 10.440 1.00 63.24 H new ATOM 0 HA ARG A 18 5.710 5.244 7.615 1.00 5.15 H new ATOM 0 HB2 ARG A 18 8.430 5.730 8.872 1.00 43.43 H new ATOM 0 HB3 ARG A 18 8.132 5.412 7.175 1.00 43.43 H new ATOM 0 HG2 ARG A 18 6.654 7.527 7.216 1.00 22.11 H new ATOM 0 HG3 ARG A 18 7.395 7.869 8.767 1.00 22.11 H new ATOM 0 HD2 ARG A 18 8.850 7.438 6.138 1.00 20.23 H new ATOM 0 HD3 ARG A 18 8.612 8.975 6.947 1.00 20.23 H new ATOM 0 HE ARG A 18 9.954 7.660 8.882 1.00 3.34 H new ATOM 0 HH11 ARG A 18 10.488 7.661 5.386 1.00 1.40 H new ATOM 0 HH12 ARG A 18 12.239 7.480 5.531 1.00 1.40 H new ATOM 0 HH21 ARG A 18 12.224 7.448 9.052 1.00 15.13 H new ATOM 0 HH22 ARG A 18 13.215 7.360 7.592 1.00 15.13 H new ATOM 258 N LEU A 19 6.766 3.002 7.497 1.00 32.15 N ATOM 259 CA LEU A 19 7.142 1.624 7.424 1.00 0.55 C ATOM 260 C LEU A 19 8.347 1.533 6.531 1.00 63.31 C ATOM 261 O LEU A 19 8.463 2.323 5.578 1.00 64.42 O ATOM 262 CB LEU A 19 6.015 0.730 6.823 1.00 33.24 C ATOM 263 CG LEU A 19 4.749 0.448 7.662 1.00 1.13 C ATOM 264 CD1 LEU A 19 3.943 1.700 7.973 1.00 72.13 C ATOM 265 CD2 LEU A 19 3.885 -0.585 6.963 1.00 41.43 C ATOM 0 H LEU A 19 6.534 3.410 6.591 1.00 32.15 H new ATOM 0 HA LEU A 19 7.342 1.266 8.434 1.00 0.55 H new ATOM 0 HB2 LEU A 19 5.694 1.191 5.889 1.00 33.24 H new ATOM 0 HB3 LEU A 19 6.460 -0.232 6.567 1.00 33.24 H new ATOM 0 HG LEU A 19 5.085 0.058 8.623 1.00 1.13 H new ATOM 0 HD11 LEU A 19 3.068 1.432 8.565 1.00 72.13 H new ATOM 0 HD12 LEU A 19 4.561 2.400 8.536 1.00 72.13 H new ATOM 0 HD13 LEU A 19 3.622 2.167 7.042 1.00 72.13 H new ATOM 0 HD21 LEU A 19 2.994 -0.779 7.561 1.00 41.43 H new ATOM 0 HD22 LEU A 19 3.590 -0.210 5.983 1.00 41.43 H new ATOM 0 HD23 LEU A 19 4.449 -1.510 6.843 1.00 41.43 H new ATOM 277 N PRO A 20 9.297 0.636 6.831 1.00 1.54 N ATOM 278 CA PRO A 20 10.411 0.391 5.936 1.00 54.32 C ATOM 279 C PRO A 20 9.863 -0.068 4.588 1.00 51.14 C ATOM 280 O PRO A 20 9.032 -0.987 4.530 1.00 1.52 O ATOM 281 CB PRO A 20 11.211 -0.734 6.618 1.00 1.04 C ATOM 282 CG PRO A 20 10.314 -1.277 7.685 1.00 1.42 C ATOM 283 CD PRO A 20 9.370 -0.173 8.057 1.00 62.42 C ATOM 0 HA PRO A 20 11.030 1.270 5.756 1.00 54.32 H new ATOM 0 HB2 PRO A 20 11.483 -1.510 5.903 1.00 1.04 H new ATOM 0 HB3 PRO A 20 12.139 -0.352 7.043 1.00 1.04 H new ATOM 0 HG2 PRO A 20 9.767 -2.149 7.325 1.00 1.42 H new ATOM 0 HG3 PRO A 20 10.893 -1.599 8.550 1.00 1.42 H new ATOM 0 HD2 PRO A 20 8.392 -0.559 8.343 1.00 62.42 H new ATOM 0 HD3 PRO A 20 9.743 0.408 8.901 1.00 62.42 H new ATOM 291 N CYS A 21 10.321 0.546 3.519 1.00 13.13 N ATOM 292 CA CYS A 21 9.775 0.287 2.192 1.00 45.51 C ATOM 293 C CYS A 21 10.086 -1.149 1.769 1.00 25.11 C ATOM 294 O CYS A 21 9.450 -1.704 0.877 1.00 21.13 O ATOM 295 CB CYS A 21 10.337 1.282 1.172 1.00 42.20 C ATOM 296 SG CYS A 21 9.353 1.454 -0.333 1.00 5.32 S ATOM 0 H CYS A 21 11.075 1.233 3.537 1.00 13.13 H new ATOM 0 HA CYS A 21 8.693 0.415 2.229 1.00 45.51 H new ATOM 0 HB2 CYS A 21 10.424 2.259 1.647 1.00 42.20 H new ATOM 0 HB3 CYS A 21 11.345 0.970 0.898 1.00 42.20 H new ATOM 301 N SER A 22 11.060 -1.745 2.438 1.00 22.43 N ATOM 302 CA SER A 22 11.445 -3.112 2.228 1.00 41.42 C ATOM 303 C SER A 22 10.273 -4.084 2.499 1.00 71.32 C ATOM 304 O SER A 22 10.210 -5.152 1.903 1.00 3.33 O ATOM 305 CB SER A 22 12.624 -3.436 3.135 1.00 10.11 C ATOM 306 OG SER A 22 13.681 -2.512 2.914 1.00 43.03 O ATOM 0 H SER A 22 11.610 -1.273 3.155 1.00 22.43 H new ATOM 0 HA SER A 22 11.731 -3.238 1.184 1.00 41.42 H new ATOM 0 HB2 SER A 22 12.311 -3.399 4.178 1.00 10.11 H new ATOM 0 HB3 SER A 22 12.972 -4.451 2.943 1.00 10.11 H new ATOM 0 HG SER A 22 14.433 -2.728 3.504 1.00 43.03 H new ATOM 312 N ARG A 23 9.327 -3.698 3.369 1.00 15.14 N ATOM 313 CA ARG A 23 8.212 -4.587 3.680 1.00 54.23 C ATOM 314 C ARG A 23 6.992 -4.313 2.821 1.00 21.23 C ATOM 315 O ARG A 23 5.950 -4.941 3.001 1.00 3.12 O ATOM 316 CB ARG A 23 7.842 -4.593 5.154 1.00 54.30 C ATOM 317 CG ARG A 23 7.374 -3.288 5.693 1.00 51.14 C ATOM 318 CD ARG A 23 6.988 -3.411 7.160 1.00 43.23 C ATOM 319 NE ARG A 23 8.102 -3.908 7.978 1.00 2.13 N ATOM 320 CZ ARG A 23 8.083 -4.080 9.301 1.00 2.10 C ATOM 321 NH1 ARG A 23 7.008 -3.750 10.009 1.00 14.04 N ATOM 322 NH2 ARG A 23 9.155 -4.571 9.913 1.00 3.43 N ATOM 0 H ARG A 23 9.315 -2.801 3.854 1.00 15.14 H new ATOM 0 HA ARG A 23 8.573 -5.587 3.438 1.00 54.23 H new ATOM 0 HB2 ARG A 23 7.060 -5.336 5.313 1.00 54.30 H new ATOM 0 HB3 ARG A 23 8.710 -4.916 5.729 1.00 54.30 H new ATOM 0 HG2 ARG A 23 8.160 -2.541 5.581 1.00 51.14 H new ATOM 0 HG3 ARG A 23 6.518 -2.938 5.116 1.00 51.14 H new ATOM 0 HD2 ARG A 23 6.668 -2.439 7.534 1.00 43.23 H new ATOM 0 HD3 ARG A 23 6.137 -4.085 7.257 1.00 43.23 H new ATOM 0 HE ARG A 23 8.967 -4.143 7.491 1.00 2.13 H new ATOM 0 HH11 ARG A 23 6.189 -3.362 9.541 1.00 14.04 H new ATOM 0 HH12 ARG A 23 7.002 -3.885 11.020 1.00 14.04 H new ATOM 0 HH21 ARG A 23 9.985 -4.814 9.372 1.00 3.43 H new ATOM 0 HH22 ARG A 23 9.148 -4.705 10.924 1.00 3.43 H new ATOM 336 N ILE A 24 7.117 -3.388 1.891 1.00 73.24 N ATOM 337 CA ILE A 24 6.044 -3.119 0.963 1.00 32.03 C ATOM 338 C ILE A 24 5.987 -4.272 -0.035 1.00 54.25 C ATOM 339 O ILE A 24 7.015 -4.673 -0.580 1.00 41.45 O ATOM 340 CB ILE A 24 6.262 -1.788 0.174 1.00 53.40 C ATOM 341 CG1 ILE A 24 6.292 -0.559 1.122 1.00 73.20 C ATOM 342 CG2 ILE A 24 5.172 -1.627 -0.881 1.00 23.51 C ATOM 343 CD1 ILE A 24 4.952 -0.160 1.707 1.00 54.23 C ATOM 0 H ILE A 24 7.949 -2.813 1.760 1.00 73.24 H new ATOM 0 HA ILE A 24 5.118 -3.020 1.529 1.00 32.03 H new ATOM 0 HB ILE A 24 7.233 -1.841 -0.319 1.00 53.40 H new ATOM 0 HG12 ILE A 24 6.979 -0.769 1.941 1.00 73.20 H new ATOM 0 HG13 ILE A 24 6.699 0.291 0.575 1.00 73.20 H new ATOM 0 HG21 ILE A 24 5.329 -0.697 -1.428 1.00 23.51 H new ATOM 0 HG22 ILE A 24 5.210 -2.467 -1.575 1.00 23.51 H new ATOM 0 HG23 ILE A 24 4.196 -1.602 -0.395 1.00 23.51 H new ATOM 0 HD11 ILE A 24 5.081 0.708 2.354 1.00 54.23 H new ATOM 0 HD12 ILE A 24 4.262 0.088 0.900 1.00 54.23 H new ATOM 0 HD13 ILE A 24 4.547 -0.989 2.288 1.00 54.23 H new ATOM 355 N LYS A 25 4.826 -4.819 -0.229 1.00 13.42 N ATOM 356 CA LYS A 25 4.648 -5.886 -1.177 1.00 11.30 C ATOM 357 C LYS A 25 3.846 -5.298 -2.334 1.00 43.01 C ATOM 358 O LYS A 25 4.291 -5.282 -3.478 1.00 43.25 O ATOM 359 CB LYS A 25 3.872 -7.010 -0.471 1.00 14.23 C ATOM 360 CG LYS A 25 3.895 -8.471 -1.049 1.00 12.31 C ATOM 361 CD LYS A 25 3.269 -8.676 -2.443 1.00 61.11 C ATOM 362 CE LYS A 25 4.187 -8.264 -3.587 1.00 40.51 C ATOM 363 NZ LYS A 25 5.442 -9.042 -3.610 1.00 60.31 N ATOM 0 H LYS A 25 3.975 -4.543 0.261 1.00 13.42 H new ATOM 0 HA LYS A 25 5.587 -6.296 -1.550 1.00 11.30 H new ATOM 0 HB2 LYS A 25 4.240 -7.062 0.554 1.00 14.23 H new ATOM 0 HB3 LYS A 25 2.828 -6.699 -0.420 1.00 14.23 H new ATOM 0 HG2 LYS A 25 4.932 -8.804 -1.090 1.00 12.31 H new ATOM 0 HG3 LYS A 25 3.378 -9.123 -0.345 1.00 12.31 H new ATOM 0 HD2 LYS A 25 3.002 -9.726 -2.562 1.00 61.11 H new ATOM 0 HD3 LYS A 25 2.344 -8.103 -2.505 1.00 61.11 H new ATOM 0 HE2 LYS A 25 3.664 -8.395 -4.534 1.00 40.51 H new ATOM 0 HE3 LYS A 25 4.422 -7.203 -3.497 1.00 40.51 H new ATOM 0 HZ1 LYS A 25 5.861 -8.997 -4.561 1.00 60.31 H new ATOM 0 HZ2 LYS A 25 6.110 -8.645 -2.919 1.00 60.31 H new ATOM 0 HZ3 LYS A 25 5.241 -10.033 -3.367 1.00 60.31 H new ATOM 377 N THR A 26 2.684 -4.790 -2.022 1.00 23.13 N ATOM 378 CA THR A 26 1.833 -4.208 -3.015 1.00 33.43 C ATOM 379 C THR A 26 1.041 -3.075 -2.382 1.00 34.13 C ATOM 380 O THR A 26 0.998 -2.963 -1.151 1.00 12.35 O ATOM 381 CB THR A 26 0.862 -5.274 -3.627 1.00 2.14 C ATOM 382 OG1 THR A 26 0.106 -4.712 -4.708 1.00 40.30 O ATOM 383 CG2 THR A 26 -0.095 -5.823 -2.578 1.00 74.41 C ATOM 0 H THR A 26 2.305 -4.770 -1.075 1.00 23.13 H new ATOM 0 HA THR A 26 2.450 -3.822 -3.827 1.00 33.43 H new ATOM 0 HB THR A 26 1.478 -6.092 -4.001 1.00 2.14 H new ATOM 0 HG1 THR A 26 -0.493 -5.394 -5.078 1.00 40.30 H new ATOM 0 HG21 THR A 26 -0.754 -6.560 -3.037 1.00 74.41 H new ATOM 0 HG22 THR A 26 0.475 -6.295 -1.777 1.00 74.41 H new ATOM 0 HG23 THR A 26 -0.692 -5.008 -2.168 1.00 74.41 H new ATOM 391 N TYR A 27 0.438 -2.246 -3.198 1.00 51.15 N ATOM 392 CA TYR A 27 -0.377 -1.175 -2.708 1.00 12.52 C ATOM 393 C TYR A 27 -1.635 -1.117 -3.543 1.00 73.40 C ATOM 394 O TYR A 27 -1.681 -1.648 -4.651 1.00 74.31 O ATOM 395 CB TYR A 27 0.346 0.191 -2.790 1.00 72.23 C ATOM 396 CG TYR A 27 0.501 0.729 -4.186 1.00 13.22 C ATOM 397 CD1 TYR A 27 -0.520 1.476 -4.755 1.00 20.32 C ATOM 398 CD2 TYR A 27 1.633 0.494 -4.931 1.00 45.41 C ATOM 399 CE1 TYR A 27 -0.427 1.968 -6.012 1.00 65.33 C ATOM 400 CE2 TYR A 27 1.741 1.000 -6.217 1.00 75.13 C ATOM 401 CZ TYR A 27 0.699 1.737 -6.751 1.00 60.54 C ATOM 402 OH TYR A 27 0.786 2.236 -8.028 1.00 20.34 O ATOM 0 H TYR A 27 0.501 -2.298 -4.215 1.00 51.15 H new ATOM 0 HA TYR A 27 -0.602 -1.367 -1.659 1.00 12.52 H new ATOM 0 HB2 TYR A 27 -0.206 0.917 -2.193 1.00 72.23 H new ATOM 0 HB3 TYR A 27 1.334 0.093 -2.340 1.00 72.23 H new ATOM 0 HD1 TYR A 27 -1.413 1.670 -4.179 1.00 20.32 H new ATOM 0 HD2 TYR A 27 2.441 -0.087 -4.512 1.00 45.41 H new ATOM 0 HE1 TYR A 27 -1.241 2.542 -6.430 1.00 65.33 H new ATOM 0 HE2 TYR A 27 2.633 0.820 -6.799 1.00 75.13 H new ATOM 0 HH TYR A 27 0.264 3.063 -8.092 1.00 20.34 H new ATOM 412 N THR A 28 -2.632 -0.524 -3.010 1.00 1.14 N ATOM 413 CA THR A 28 -3.850 -0.275 -3.696 1.00 23.14 C ATOM 414 C THR A 28 -4.354 1.098 -3.295 1.00 20.12 C ATOM 415 O THR A 28 -4.568 1.359 -2.113 1.00 61.10 O ATOM 416 CB THR A 28 -4.893 -1.334 -3.348 1.00 22.30 C ATOM 417 OG1 THR A 28 -4.355 -2.629 -3.660 1.00 71.33 O ATOM 418 CG2 THR A 28 -6.174 -1.125 -4.140 1.00 4.11 C ATOM 0 H THR A 28 -2.628 -0.184 -2.048 1.00 1.14 H new ATOM 0 HA THR A 28 -3.676 -0.315 -4.771 1.00 23.14 H new ATOM 0 HB THR A 28 -5.129 -1.257 -2.287 1.00 22.30 H new ATOM 0 HG1 THR A 28 -5.015 -3.319 -3.439 1.00 71.33 H new ATOM 0 HG21 THR A 28 -6.898 -1.894 -3.871 1.00 4.11 H new ATOM 0 HG22 THR A 28 -6.587 -0.142 -3.912 1.00 4.11 H new ATOM 0 HG23 THR A 28 -5.957 -1.188 -5.206 1.00 4.11 H new ATOM 426 N ILE A 29 -4.518 1.964 -4.237 1.00 72.10 N ATOM 427 CA ILE A 29 -5.051 3.272 -3.938 1.00 41.24 C ATOM 428 C ILE A 29 -6.545 3.195 -4.071 1.00 53.51 C ATOM 429 O ILE A 29 -7.054 2.735 -5.087 1.00 51.11 O ATOM 430 CB ILE A 29 -4.482 4.382 -4.868 1.00 34.04 C ATOM 431 CG1 ILE A 29 -2.954 4.468 -4.721 1.00 54.21 C ATOM 432 CG2 ILE A 29 -5.129 5.739 -4.550 1.00 71.30 C ATOM 433 CD1 ILE A 29 -2.310 5.537 -5.569 1.00 50.40 C ATOM 0 H ILE A 29 -4.295 1.802 -5.219 1.00 72.10 H new ATOM 0 HA ILE A 29 -4.757 3.548 -2.926 1.00 41.24 H new ATOM 0 HB ILE A 29 -4.719 4.123 -5.900 1.00 34.04 H new ATOM 0 HG12 ILE A 29 -2.711 4.654 -3.675 1.00 54.21 H new ATOM 0 HG13 ILE A 29 -2.520 3.503 -4.982 1.00 54.21 H new ATOM 0 HG21 ILE A 29 -4.718 6.502 -5.211 1.00 71.30 H new ATOM 0 HG22 ILE A 29 -6.207 5.672 -4.699 1.00 71.30 H new ATOM 0 HG23 ILE A 29 -4.922 6.007 -3.514 1.00 71.30 H new ATOM 0 HD11 ILE A 29 -1.232 5.530 -5.406 1.00 50.40 H new ATOM 0 HD12 ILE A 29 -2.519 5.342 -6.621 1.00 50.40 H new ATOM 0 HD13 ILE A 29 -2.713 6.512 -5.293 1.00 50.40 H new ATOM 445 N THR A 30 -7.245 3.609 -3.063 1.00 71.34 N ATOM 446 CA THR A 30 -8.663 3.489 -3.081 1.00 44.22 C ATOM 447 C THR A 30 -9.301 4.828 -2.927 1.00 12.00 C ATOM 448 O THR A 30 -9.065 5.528 -1.947 1.00 23.53 O ATOM 449 CB THR A 30 -9.179 2.503 -1.998 1.00 24.42 C ATOM 450 OG1 THR A 30 -8.662 2.849 -0.697 1.00 14.20 O ATOM 451 CG2 THR A 30 -8.791 1.069 -2.329 1.00 63.54 C ATOM 0 H THR A 30 -6.857 4.032 -2.220 1.00 71.34 H new ATOM 0 HA THR A 30 -8.944 3.075 -4.049 1.00 44.22 H new ATOM 0 HB THR A 30 -10.266 2.580 -1.983 1.00 24.42 H new ATOM 0 HG1 THR A 30 -7.751 3.197 -0.789 1.00 14.20 H new ATOM 0 HG21 THR A 30 -9.166 0.402 -1.553 1.00 63.54 H new ATOM 0 HG22 THR A 30 -9.223 0.788 -3.289 1.00 63.54 H new ATOM 0 HG23 THR A 30 -7.705 0.989 -2.382 1.00 63.54 H new ATOM 511 N ARG A 35 -9.484 9.102 -0.042 1.00 40.11 N ATOM 512 CA ARG A 35 -8.645 8.206 -0.784 1.00 42.43 C ATOM 513 C ARG A 35 -7.533 7.713 0.114 1.00 73.41 C ATOM 514 O ARG A 35 -6.854 8.506 0.788 1.00 63.23 O ATOM 515 CB ARG A 35 -8.090 8.832 -2.079 1.00 4.32 C ATOM 516 CG ARG A 35 -7.088 9.934 -1.862 1.00 60.32 C ATOM 517 CD ARG A 35 -6.584 10.511 -3.168 1.00 53.00 C ATOM 518 NE ARG A 35 -5.623 11.599 -2.939 1.00 41.43 N ATOM 519 CZ ARG A 35 -4.645 11.953 -3.783 1.00 50.44 C ATOM 520 NH1 ARG A 35 -4.443 11.276 -4.908 1.00 43.41 N ATOM 521 NH2 ARG A 35 -3.871 12.976 -3.492 1.00 21.42 N ATOM 0 HA ARG A 35 -9.256 7.363 -1.108 1.00 42.43 H new ATOM 0 HB2 ARG A 35 -7.624 8.048 -2.676 1.00 4.32 H new ATOM 0 HB3 ARG A 35 -8.922 9.225 -2.663 1.00 4.32 H new ATOM 0 HG2 ARG A 35 -7.544 10.726 -1.268 1.00 60.32 H new ATOM 0 HG3 ARG A 35 -6.246 9.549 -1.287 1.00 60.32 H new ATOM 0 HD2 ARG A 35 -6.112 9.724 -3.757 1.00 53.00 H new ATOM 0 HD3 ARG A 35 -7.426 10.884 -3.751 1.00 53.00 H new ATOM 0 HE ARG A 35 -5.707 12.126 -2.070 1.00 41.43 H new ATOM 0 HH11 ARG A 35 -5.036 10.478 -5.136 1.00 43.41 H new ATOM 0 HH12 ARG A 35 -3.695 11.554 -5.543 1.00 43.41 H new ATOM 0 HH21 ARG A 35 -4.017 13.496 -2.627 1.00 21.42 H new ATOM 0 HH22 ARG A 35 -3.125 13.249 -4.132 1.00 21.42 H new ATOM 535 N ALA A 36 -7.364 6.440 0.159 1.00 42.03 N ATOM 536 CA ALA A 36 -6.360 5.851 0.985 1.00 14.15 C ATOM 537 C ALA A 36 -5.572 4.864 0.193 1.00 74.22 C ATOM 538 O ALA A 36 -6.142 4.090 -0.588 1.00 21.03 O ATOM 539 CB ALA A 36 -6.995 5.173 2.191 1.00 22.32 C ATOM 0 H ALA A 36 -7.918 5.771 -0.376 1.00 42.03 H new ATOM 0 HA ALA A 36 -5.692 6.635 1.343 1.00 14.15 H new ATOM 0 HB1 ALA A 36 -6.216 4.729 2.811 1.00 22.32 H new ATOM 0 HB2 ALA A 36 -7.546 5.910 2.774 1.00 22.32 H new ATOM 0 HB3 ALA A 36 -7.678 4.394 1.853 1.00 22.32 H new ATOM 545 N VAL A 37 -4.278 4.904 0.333 1.00 12.22 N ATOM 546 CA VAL A 37 -3.455 3.943 -0.293 1.00 33.32 C ATOM 547 C VAL A 37 -3.156 2.834 0.708 1.00 74.52 C ATOM 548 O VAL A 37 -2.541 3.051 1.762 1.00 51.42 O ATOM 549 CB VAL A 37 -2.163 4.562 -0.911 1.00 2.22 C ATOM 550 CG1 VAL A 37 -1.348 5.312 0.109 1.00 61.33 C ATOM 551 CG2 VAL A 37 -1.332 3.493 -1.592 1.00 33.53 C ATOM 0 H VAL A 37 -3.779 5.603 0.883 1.00 12.22 H new ATOM 0 HA VAL A 37 -3.988 3.520 -1.144 1.00 33.32 H new ATOM 0 HB VAL A 37 -2.477 5.288 -1.661 1.00 2.22 H new ATOM 0 HG11 VAL A 37 -0.459 5.725 -0.368 1.00 61.33 H new ATOM 0 HG12 VAL A 37 -1.945 6.122 0.527 1.00 61.33 H new ATOM 0 HG13 VAL A 37 -1.049 4.632 0.907 1.00 61.33 H new ATOM 0 HG21 VAL A 37 -0.435 3.945 -2.017 1.00 33.53 H new ATOM 0 HG22 VAL A 37 -1.046 2.735 -0.863 1.00 33.53 H new ATOM 0 HG23 VAL A 37 -1.916 3.030 -2.387 1.00 33.53 H new ATOM 561 N ILE A 38 -3.645 1.682 0.408 1.00 14.13 N ATOM 562 CA ILE A 38 -3.509 0.553 1.267 1.00 40.43 C ATOM 563 C ILE A 38 -2.335 -0.279 0.810 1.00 11.24 C ATOM 564 O ILE A 38 -2.271 -0.696 -0.336 1.00 63.33 O ATOM 565 CB ILE A 38 -4.815 -0.299 1.271 1.00 63.31 C ATOM 566 CG1 ILE A 38 -5.999 0.567 1.742 1.00 25.22 C ATOM 567 CG2 ILE A 38 -4.661 -1.534 2.164 1.00 13.43 C ATOM 568 CD1 ILE A 38 -7.333 -0.154 1.768 1.00 55.43 C ATOM 0 H ILE A 38 -4.158 1.492 -0.453 1.00 14.13 H new ATOM 0 HA ILE A 38 -3.334 0.898 2.286 1.00 40.43 H new ATOM 0 HB ILE A 38 -5.009 -0.645 0.256 1.00 63.31 H new ATOM 0 HG12 ILE A 38 -5.783 0.942 2.742 1.00 25.22 H new ATOM 0 HG13 ILE A 38 -6.082 1.434 1.087 1.00 25.22 H new ATOM 0 HG21 ILE A 38 -5.586 -2.111 2.149 1.00 13.43 H new ATOM 0 HG22 ILE A 38 -3.842 -2.151 1.794 1.00 13.43 H new ATOM 0 HG23 ILE A 38 -4.445 -1.220 3.185 1.00 13.43 H new ATOM 0 HD11 ILE A 38 -8.109 0.530 2.111 1.00 55.43 H new ATOM 0 HD12 ILE A 38 -7.576 -0.505 0.765 1.00 55.43 H new ATOM 0 HD13 ILE A 38 -7.273 -1.005 2.446 1.00 55.43 H new ATOM 580 N PHE A 39 -1.416 -0.485 1.695 1.00 72.31 N ATOM 581 CA PHE A 39 -0.251 -1.266 1.428 1.00 32.51 C ATOM 582 C PHE A 39 -0.368 -2.583 2.080 1.00 4.00 C ATOM 583 O PHE A 39 -0.731 -2.680 3.247 1.00 74.22 O ATOM 584 CB PHE A 39 1.018 -0.574 1.911 1.00 14.44 C ATOM 585 CG PHE A 39 1.382 0.625 1.120 1.00 5.14 C ATOM 586 CD1 PHE A 39 2.168 0.495 -0.002 1.00 35.43 C ATOM 587 CD2 PHE A 39 0.951 1.873 1.486 1.00 62.01 C ATOM 588 CE1 PHE A 39 2.518 1.584 -0.750 1.00 41.53 C ATOM 589 CE2 PHE A 39 1.298 2.970 0.745 1.00 64.44 C ATOM 590 CZ PHE A 39 2.082 2.821 -0.382 1.00 65.02 C ATOM 0 H PHE A 39 -1.454 -0.108 2.642 1.00 72.31 H new ATOM 0 HA PHE A 39 -0.179 -1.389 0.347 1.00 32.51 H new ATOM 0 HB2 PHE A 39 0.889 -0.285 2.954 1.00 14.44 H new ATOM 0 HB3 PHE A 39 1.844 -1.285 1.877 1.00 14.44 H new ATOM 0 HD1 PHE A 39 2.514 -0.485 -0.297 1.00 35.43 H new ATOM 0 HD2 PHE A 39 0.334 1.992 2.364 1.00 62.01 H new ATOM 0 HE1 PHE A 39 3.136 1.465 -1.627 1.00 41.53 H new ATOM 0 HE2 PHE A 39 0.959 3.952 1.041 1.00 64.44 H new ATOM 0 HZ PHE A 39 2.350 3.685 -0.972 1.00 65.02 H new ATOM 600 N ILE A 40 -0.092 -3.595 1.354 1.00 65.01 N ATOM 601 CA ILE A 40 -0.109 -4.890 1.912 1.00 73.45 C ATOM 602 C ILE A 40 1.339 -5.253 2.101 1.00 73.24 C ATOM 603 O ILE A 40 2.152 -5.066 1.173 1.00 22.43 O ATOM 604 CB ILE A 40 -0.805 -5.923 0.993 1.00 42.04 C ATOM 605 CG1 ILE A 40 -2.099 -5.333 0.386 1.00 4.23 C ATOM 606 CG2 ILE A 40 -1.162 -7.157 1.814 1.00 75.21 C ATOM 607 CD1 ILE A 40 -3.149 -4.906 1.407 1.00 34.11 C ATOM 0 H ILE A 40 0.150 -3.552 0.364 1.00 65.01 H new ATOM 0 HA ILE A 40 -0.675 -4.900 2.844 1.00 73.45 H new ATOM 0 HB ILE A 40 -0.124 -6.185 0.183 1.00 42.04 H new ATOM 0 HG12 ILE A 40 -1.836 -4.470 -0.226 1.00 4.23 H new ATOM 0 HG13 ILE A 40 -2.541 -6.073 -0.281 1.00 4.23 H new ATOM 0 HG21 ILE A 40 -1.653 -7.890 1.174 1.00 75.21 H new ATOM 0 HG22 ILE A 40 -0.254 -7.591 2.232 1.00 75.21 H new ATOM 0 HG23 ILE A 40 -1.835 -6.873 2.623 1.00 75.21 H new ATOM 0 HD11 ILE A 40 -4.020 -4.505 0.888 1.00 34.11 H new ATOM 0 HD12 ILE A 40 -3.447 -5.768 2.004 1.00 34.11 H new ATOM 0 HD13 ILE A 40 -2.731 -4.139 2.060 1.00 34.11 H new ATOM 619 N THR A 41 1.683 -5.699 3.265 1.00 34.23 N ATOM 620 CA THR A 41 3.051 -5.970 3.576 1.00 52.44 C ATOM 621 C THR A 41 3.456 -7.377 3.147 1.00 3.51 C ATOM 622 O THR A 41 2.616 -8.172 2.704 1.00 25.23 O ATOM 623 CB THR A 41 3.312 -5.786 5.072 1.00 21.44 C ATOM 624 OG1 THR A 41 2.479 -6.675 5.836 1.00 71.42 O ATOM 625 CG2 THR A 41 3.040 -4.354 5.496 1.00 44.31 C ATOM 0 H THR A 41 1.028 -5.885 4.025 1.00 34.23 H new ATOM 0 HA THR A 41 3.658 -5.257 3.018 1.00 52.44 H new ATOM 0 HB THR A 41 4.360 -6.017 5.261 1.00 21.44 H new ATOM 0 HG1 THR A 41 2.765 -6.666 6.773 1.00 71.42 H new ATOM 0 HG21 THR A 41 3.233 -4.248 6.564 1.00 44.31 H new ATOM 0 HG22 THR A 41 3.692 -3.680 4.941 1.00 44.31 H new ATOM 0 HG23 THR A 41 1.999 -4.104 5.288 1.00 44.31 H new ATOM 633 N LYS A 42 4.734 -7.690 3.296 1.00 73.43 N ATOM 634 CA LYS A 42 5.263 -8.992 2.925 1.00 61.12 C ATOM 635 C LYS A 42 4.781 -10.090 3.868 1.00 33.34 C ATOM 636 O LYS A 42 4.947 -11.286 3.591 1.00 2.44 O ATOM 637 CB LYS A 42 6.780 -8.954 2.855 1.00 14.12 C ATOM 638 CG LYS A 42 7.298 -7.994 1.797 1.00 3.54 C ATOM 639 CD LYS A 42 8.812 -7.995 1.711 1.00 4.02 C ATOM 640 CE LYS A 42 9.356 -9.355 1.317 1.00 41.32 C ATOM 641 NZ LYS A 42 10.822 -9.335 1.151 1.00 41.13 N ATOM 0 H LYS A 42 5.431 -7.050 3.676 1.00 73.43 H new ATOM 0 HA LYS A 42 4.881 -9.233 1.933 1.00 61.12 H new ATOM 0 HB2 LYS A 42 7.177 -8.663 3.828 1.00 14.12 H new ATOM 0 HB3 LYS A 42 7.154 -9.956 2.644 1.00 14.12 H new ATOM 0 HG2 LYS A 42 6.881 -8.266 0.827 1.00 3.54 H new ATOM 0 HG3 LYS A 42 6.950 -6.986 2.022 1.00 3.54 H new ATOM 0 HD2 LYS A 42 9.135 -7.250 0.983 1.00 4.02 H new ATOM 0 HD3 LYS A 42 9.230 -7.702 2.674 1.00 4.02 H new ATOM 0 HE2 LYS A 42 9.087 -10.088 2.078 1.00 41.32 H new ATOM 0 HE3 LYS A 42 8.890 -9.676 0.386 1.00 41.32 H new ATOM 0 HZ1 LYS A 42 11.154 -10.283 0.882 1.00 41.13 H new ATOM 0 HZ2 LYS A 42 11.078 -8.655 0.407 1.00 41.13 H new ATOM 0 HZ3 LYS A 42 11.269 -9.053 2.047 1.00 41.13 H new ATOM 655 N ARG A 43 4.209 -9.686 4.983 1.00 33.23 N ATOM 656 CA ARG A 43 3.606 -10.617 5.913 1.00 23.11 C ATOM 657 C ARG A 43 2.134 -10.841 5.587 1.00 24.21 C ATOM 658 O ARG A 43 1.492 -11.711 6.171 1.00 12.40 O ATOM 659 CB ARG A 43 3.777 -10.155 7.364 1.00 64.42 C ATOM 660 CG ARG A 43 5.209 -10.205 7.886 1.00 44.32 C ATOM 661 CD ARG A 43 5.756 -11.623 7.879 1.00 40.02 C ATOM 662 NE ARG A 43 7.109 -11.686 8.434 1.00 13.01 N ATOM 663 CZ ARG A 43 7.828 -12.805 8.594 1.00 54.24 C ATOM 664 NH1 ARG A 43 7.331 -13.985 8.227 1.00 65.32 N ATOM 665 NH2 ARG A 43 9.040 -12.742 9.127 1.00 51.03 N ATOM 0 H ARG A 43 4.149 -8.709 5.269 1.00 33.23 H new ATOM 0 HA ARG A 43 4.128 -11.568 5.805 1.00 23.11 H new ATOM 0 HB2 ARG A 43 3.409 -9.133 7.451 1.00 64.42 H new ATOM 0 HB3 ARG A 43 3.150 -10.775 8.004 1.00 64.42 H new ATOM 0 HG2 ARG A 43 5.844 -9.566 7.272 1.00 44.32 H new ATOM 0 HG3 ARG A 43 5.242 -9.806 8.900 1.00 44.32 H new ATOM 0 HD2 ARG A 43 5.096 -12.270 8.456 1.00 40.02 H new ATOM 0 HD3 ARG A 43 5.764 -12.005 6.858 1.00 40.02 H new ATOM 0 HE ARG A 43 7.539 -10.807 8.722 1.00 13.01 H new ATOM 0 HH11 ARG A 43 6.397 -14.041 7.821 1.00 65.32 H new ATOM 0 HH12 ARG A 43 7.884 -14.833 8.352 1.00 65.32 H new ATOM 0 HH21 ARG A 43 9.424 -11.842 9.415 1.00 51.03 H new ATOM 0 HH22 ARG A 43 9.588 -13.593 9.249 1.00 51.03 H new ATOM 679 N GLY A 44 1.605 -10.062 4.656 1.00 31.41 N ATOM 680 CA GLY A 44 0.223 -10.221 4.252 1.00 75.53 C ATOM 681 C GLY A 44 -0.726 -9.340 5.032 1.00 1.11 C ATOM 682 O GLY A 44 -1.948 -9.487 4.928 1.00 64.23 O ATOM 0 H GLY A 44 2.110 -9.320 4.171 1.00 31.41 H new ATOM 0 HA2 GLY A 44 0.132 -9.992 3.190 1.00 75.53 H new ATOM 0 HA3 GLY A 44 -0.069 -11.263 4.380 1.00 75.53 H new ATOM 686 N LEU A 45 -0.181 -8.426 5.803 1.00 33.41 N ATOM 687 CA LEU A 45 -0.990 -7.525 6.603 1.00 65.13 C ATOM 688 C LEU A 45 -1.381 -6.345 5.799 1.00 24.20 C ATOM 689 O LEU A 45 -0.674 -5.938 4.875 1.00 12.44 O ATOM 690 CB LEU A 45 -0.259 -7.083 7.852 1.00 34.31 C ATOM 691 CG LEU A 45 0.097 -8.178 8.830 1.00 53.10 C ATOM 692 CD1 LEU A 45 0.859 -7.594 9.987 1.00 35.14 C ATOM 693 CD2 LEU A 45 -1.155 -8.898 9.323 1.00 25.50 C ATOM 0 H LEU A 45 0.825 -8.284 5.895 1.00 33.41 H new ATOM 0 HA LEU A 45 -1.885 -8.065 6.913 1.00 65.13 H new ATOM 0 HB2 LEU A 45 0.659 -6.577 7.553 1.00 34.31 H new ATOM 0 HB3 LEU A 45 -0.875 -6.347 8.369 1.00 34.31 H new ATOM 0 HG LEU A 45 0.724 -8.910 8.322 1.00 53.10 H new ATOM 0 HD11 LEU A 45 1.115 -8.386 10.691 1.00 35.14 H new ATOM 0 HD12 LEU A 45 1.772 -7.125 9.621 1.00 35.14 H new ATOM 0 HD13 LEU A 45 0.243 -6.847 10.489 1.00 35.14 H new ATOM 0 HD21 LEU A 45 -0.871 -9.681 10.026 1.00 25.50 H new ATOM 0 HD22 LEU A 45 -1.813 -8.185 9.821 1.00 25.50 H new ATOM 0 HD23 LEU A 45 -1.677 -9.342 8.475 1.00 25.50 H new ATOM 705 N LYS A 46 -2.488 -5.792 6.141 1.00 4.13 N ATOM 706 CA LYS A 46 -3.033 -4.700 5.405 1.00 41.22 C ATOM 707 C LYS A 46 -2.827 -3.437 6.175 1.00 14.24 C ATOM 708 O LYS A 46 -3.346 -3.269 7.285 1.00 54.03 O ATOM 709 CB LYS A 46 -4.500 -4.964 5.209 1.00 23.14 C ATOM 710 CG LYS A 46 -4.738 -6.347 4.642 1.00 71.32 C ATOM 711 CD LYS A 46 -6.186 -6.731 4.683 1.00 40.21 C ATOM 712 CE LYS A 46 -7.023 -5.891 3.733 1.00 24.42 C ATOM 713 NZ LYS A 46 -6.706 -6.182 2.315 1.00 63.03 N ATOM 0 H LYS A 46 -3.047 -6.083 6.943 1.00 4.13 H new ATOM 0 HA LYS A 46 -2.544 -4.597 4.436 1.00 41.22 H new ATOM 0 HB2 LYS A 46 -5.020 -4.865 6.162 1.00 23.14 H new ATOM 0 HB3 LYS A 46 -4.920 -4.216 4.537 1.00 23.14 H new ATOM 0 HG2 LYS A 46 -4.383 -6.382 3.612 1.00 71.32 H new ATOM 0 HG3 LYS A 46 -4.154 -7.075 5.205 1.00 71.32 H new ATOM 0 HD2 LYS A 46 -6.290 -7.784 4.423 1.00 40.21 H new ATOM 0 HD3 LYS A 46 -6.564 -6.615 5.699 1.00 40.21 H new ATOM 0 HE2 LYS A 46 -8.081 -6.081 3.915 1.00 24.42 H new ATOM 0 HE3 LYS A 46 -6.850 -4.834 3.934 1.00 24.42 H new ATOM 0 HZ1 LYS A 46 -7.444 -5.778 1.704 1.00 63.03 H new ATOM 0 HZ2 LYS A 46 -5.786 -5.762 2.071 1.00 63.03 H new ATOM 0 HZ3 LYS A 46 -6.664 -7.211 2.173 1.00 63.03 H new ATOM 727 N VAL A 47 -2.089 -2.571 5.602 1.00 20.43 N ATOM 728 CA VAL A 47 -1.762 -1.307 6.218 1.00 44.54 C ATOM 729 C VAL A 47 -2.329 -0.174 5.379 1.00 42.53 C ATOM 730 O VAL A 47 -2.426 -0.292 4.175 1.00 43.50 O ATOM 731 CB VAL A 47 -0.212 -1.140 6.390 1.00 55.42 C ATOM 732 CG1 VAL A 47 0.145 0.170 7.088 1.00 13.42 C ATOM 733 CG2 VAL A 47 0.366 -2.321 7.159 1.00 15.22 C ATOM 0 H VAL A 47 -1.678 -2.702 4.678 1.00 20.43 H new ATOM 0 HA VAL A 47 -2.207 -1.280 7.213 1.00 44.54 H new ATOM 0 HB VAL A 47 0.227 -1.112 5.393 1.00 55.42 H new ATOM 0 HG11 VAL A 47 1.228 0.246 7.187 1.00 13.42 H new ATOM 0 HG12 VAL A 47 -0.225 1.009 6.499 1.00 13.42 H new ATOM 0 HG13 VAL A 47 -0.312 0.192 8.077 1.00 13.42 H new ATOM 0 HG21 VAL A 47 1.442 -2.191 7.270 1.00 15.22 H new ATOM 0 HG22 VAL A 47 -0.097 -2.375 8.144 1.00 15.22 H new ATOM 0 HG23 VAL A 47 0.167 -3.243 6.613 1.00 15.22 H new ATOM 743 N CYS A 48 -2.695 0.902 6.002 1.00 72.13 N ATOM 744 CA CYS A 48 -3.276 2.006 5.295 1.00 14.41 C ATOM 745 C CYS A 48 -2.438 3.226 5.538 1.00 1.44 C ATOM 746 O CYS A 48 -2.164 3.590 6.683 1.00 31.32 O ATOM 747 CB CYS A 48 -4.684 2.229 5.797 1.00 24.41 C ATOM 748 SG CYS A 48 -5.752 0.769 5.620 1.00 52.30 S ATOM 0 H CYS A 48 -2.602 1.042 7.008 1.00 72.13 H new ATOM 0 HA CYS A 48 -3.311 1.799 4.225 1.00 14.41 H new ATOM 0 HB2 CYS A 48 -4.646 2.517 6.848 1.00 24.41 H new ATOM 0 HB3 CYS A 48 -5.128 3.063 5.253 1.00 24.41 H new ATOM 0 HG CYS A 48 -6.939 1.042 6.075 1.00 52.30 H new ATOM 753 N ALA A 49 -2.040 3.863 4.485 1.00 42.54 N ATOM 754 CA ALA A 49 -1.129 4.959 4.585 1.00 22.43 C ATOM 755 C ALA A 49 -1.660 6.191 3.905 1.00 11.21 C ATOM 756 O ALA A 49 -2.457 6.104 2.960 1.00 41.40 O ATOM 757 CB ALA A 49 0.212 4.561 4.022 1.00 34.22 C ATOM 0 H ALA A 49 -2.335 3.640 3.534 1.00 42.54 H new ATOM 0 HA ALA A 49 -1.010 5.209 5.639 1.00 22.43 H new ATOM 0 HB1 ALA A 49 0.903 5.400 4.101 1.00 34.22 H new ATOM 0 HB2 ALA A 49 0.605 3.713 4.583 1.00 34.22 H new ATOM 0 HB3 ALA A 49 0.098 4.281 2.975 1.00 34.22 H new ATOM 763 N ASP A 50 -1.243 7.326 4.409 1.00 3.42 N ATOM 764 CA ASP A 50 -1.623 8.615 3.869 1.00 72.30 C ATOM 765 C ASP A 50 -0.835 8.902 2.588 1.00 5.54 C ATOM 766 O ASP A 50 0.386 8.929 2.602 1.00 5.23 O ATOM 767 CB ASP A 50 -1.374 9.704 4.922 1.00 31.14 C ATOM 768 CG ASP A 50 -1.664 11.098 4.429 1.00 42.24 C ATOM 769 OD1 ASP A 50 -2.844 11.481 4.327 1.00 21.44 O ATOM 770 OD2 ASP A 50 -0.717 11.839 4.174 1.00 44.05 O ATOM 0 H ASP A 50 -0.622 7.385 5.216 1.00 3.42 H new ATOM 0 HA ASP A 50 -2.684 8.607 3.618 1.00 72.30 H new ATOM 0 HB2 ASP A 50 -1.993 9.501 5.796 1.00 31.14 H new ATOM 0 HB3 ASP A 50 -0.335 9.652 5.248 1.00 31.14 H new ATOM 775 N PRO A 51 -1.534 9.129 1.458 1.00 42.12 N ATOM 776 CA PRO A 51 -0.890 9.354 0.142 1.00 64.22 C ATOM 777 C PRO A 51 -0.152 10.701 0.069 1.00 21.12 C ATOM 778 O PRO A 51 0.567 10.985 -0.892 1.00 12.24 O ATOM 779 CB PRO A 51 -2.080 9.351 -0.832 1.00 72.12 C ATOM 780 CG PRO A 51 -3.249 9.761 -0.007 1.00 43.43 C ATOM 781 CD PRO A 51 -3.009 9.195 1.365 1.00 63.31 C ATOM 0 HA PRO A 51 -0.131 8.602 -0.074 1.00 64.22 H new ATOM 0 HB2 PRO A 51 -1.917 10.043 -1.658 1.00 72.12 H new ATOM 0 HB3 PRO A 51 -2.231 8.364 -1.269 1.00 72.12 H new ATOM 0 HG2 PRO A 51 -3.339 10.847 0.029 1.00 43.43 H new ATOM 0 HG3 PRO A 51 -4.178 9.378 -0.430 1.00 43.43 H new ATOM 0 HD2 PRO A 51 -3.432 9.832 2.142 1.00 63.31 H new ATOM 0 HD3 PRO A 51 -3.463 8.210 1.478 1.00 63.31 H new ATOM 789 N GLN A 52 -0.332 11.519 1.086 1.00 25.40 N ATOM 790 CA GLN A 52 0.261 12.834 1.134 1.00 40.33 C ATOM 791 C GLN A 52 1.625 12.739 1.814 1.00 12.24 C ATOM 792 O GLN A 52 2.416 13.693 1.802 1.00 21.05 O ATOM 793 CB GLN A 52 -0.672 13.776 1.893 1.00 45.13 C ATOM 794 CG GLN A 52 -2.099 13.736 1.364 1.00 73.15 C ATOM 795 CD GLN A 52 -3.067 14.534 2.192 1.00 52.23 C ATOM 796 OE1 GLN A 52 -3.304 15.717 1.939 1.00 31.13 O ATOM 797 NE2 GLN A 52 -3.611 13.914 3.199 1.00 34.42 N ATOM 0 H GLN A 52 -0.896 11.287 1.904 1.00 25.40 H new ATOM 0 HA GLN A 52 0.403 13.229 0.128 1.00 40.33 H new ATOM 0 HB2 GLN A 52 -0.672 13.508 2.950 1.00 45.13 H new ATOM 0 HB3 GLN A 52 -0.290 14.795 1.822 1.00 45.13 H new ATOM 0 HG2 GLN A 52 -2.110 14.114 0.342 1.00 73.15 H new ATOM 0 HG3 GLN A 52 -2.435 12.700 1.325 1.00 73.15 H new ATOM 0 HE21 GLN A 52 -3.389 12.934 3.375 1.00 34.42 H new ATOM 0 HE22 GLN A 52 -4.259 14.408 3.812 1.00 34.42 H new ATOM 806 N ALA A 53 1.889 11.582 2.409 1.00 43.31 N ATOM 807 CA ALA A 53 3.165 11.294 3.019 1.00 41.14 C ATOM 808 C ALA A 53 4.190 11.029 1.940 1.00 23.12 C ATOM 809 O ALA A 53 3.958 10.227 1.026 1.00 32.13 O ATOM 810 CB ALA A 53 3.048 10.114 3.958 1.00 64.41 C ATOM 0 H ALA A 53 1.216 10.819 2.478 1.00 43.31 H new ATOM 0 HA ALA A 53 3.487 12.154 3.606 1.00 41.14 H new ATOM 0 HB1 ALA A 53 4.019 9.910 4.409 1.00 64.41 H new ATOM 0 HB2 ALA A 53 2.325 10.342 4.741 1.00 64.41 H new ATOM 0 HB3 ALA A 53 2.716 9.238 3.401 1.00 64.41 H new ATOM 816 N THR A 54 5.315 11.686 2.050 1.00 51.14 N ATOM 817 CA THR A 54 6.361 11.615 1.063 1.00 5.14 C ATOM 818 C THR A 54 6.931 10.200 0.946 1.00 1.40 C ATOM 819 O THR A 54 7.251 9.744 -0.157 1.00 34.44 O ATOM 820 CB THR A 54 7.485 12.607 1.408 1.00 34.21 C ATOM 821 OG1 THR A 54 6.910 13.910 1.581 1.00 73.15 O ATOM 822 CG2 THR A 54 8.522 12.664 0.292 1.00 20.10 C ATOM 0 H THR A 54 5.534 12.294 2.839 1.00 51.14 H new ATOM 0 HA THR A 54 5.926 11.882 0.100 1.00 5.14 H new ATOM 0 HB THR A 54 7.979 12.278 2.322 1.00 34.21 H new ATOM 0 HG1 THR A 54 7.616 14.552 1.803 1.00 73.15 H new ATOM 0 HG21 THR A 54 9.306 13.372 0.560 1.00 20.10 H new ATOM 0 HG22 THR A 54 8.959 11.675 0.150 1.00 20.10 H new ATOM 0 HG23 THR A 54 8.044 12.985 -0.633 1.00 20.10 H new ATOM 830 N TRP A 55 7.004 9.484 2.067 1.00 14.31 N ATOM 831 CA TRP A 55 7.576 8.134 2.028 1.00 50.52 C ATOM 832 C TRP A 55 6.638 7.208 1.256 1.00 75.40 C ATOM 833 O TRP A 55 7.070 6.286 0.550 1.00 14.43 O ATOM 834 CB TRP A 55 7.863 7.578 3.438 1.00 65.41 C ATOM 835 CG TRP A 55 6.654 7.218 4.235 1.00 22.22 C ATOM 836 CD1 TRP A 55 5.901 8.042 4.978 1.00 51.05 C ATOM 837 CD2 TRP A 55 6.075 5.918 4.360 1.00 52.41 C ATOM 838 NE1 TRP A 55 4.877 7.352 5.567 1.00 14.11 N ATOM 839 CE2 TRP A 55 4.960 6.039 5.195 1.00 72.22 C ATOM 840 CE3 TRP A 55 6.394 4.670 3.837 1.00 43.04 C ATOM 841 CZ2 TRP A 55 4.158 4.953 5.531 1.00 21.11 C ATOM 842 CZ3 TRP A 55 5.600 3.591 4.159 1.00 72.45 C ATOM 843 CH2 TRP A 55 4.491 3.739 4.998 1.00 54.33 C ATOM 0 H TRP A 55 6.687 9.799 2.984 1.00 14.31 H new ATOM 0 HA TRP A 55 8.537 8.188 1.517 1.00 50.52 H new ATOM 0 HB2 TRP A 55 8.492 6.693 3.342 1.00 65.41 H new ATOM 0 HB3 TRP A 55 8.438 8.319 3.994 1.00 65.41 H new ATOM 0 HD1 TRP A 55 6.078 9.101 5.095 1.00 51.05 H new ATOM 0 HE1 TRP A 55 4.168 7.751 6.182 1.00 14.11 H new ATOM 0 HE3 TRP A 55 7.250 4.548 3.189 1.00 43.04 H new ATOM 0 HZ2 TRP A 55 3.307 5.065 6.186 1.00 21.11 H new ATOM 0 HZ3 TRP A 55 5.838 2.617 3.758 1.00 72.45 H new ATOM 0 HH2 TRP A 55 3.885 2.876 5.230 1.00 54.33 H new ATOM 854 N VAL A 56 5.351 7.494 1.378 1.00 60.21 N ATOM 855 CA VAL A 56 4.319 6.762 0.699 1.00 33.03 C ATOM 856 C VAL A 56 4.398 7.028 -0.763 1.00 31.05 C ATOM 857 O VAL A 56 4.421 6.105 -1.551 1.00 71.24 O ATOM 858 CB VAL A 56 2.914 7.135 1.220 1.00 35.33 C ATOM 859 CG1 VAL A 56 1.839 6.486 0.386 1.00 12.11 C ATOM 860 CG2 VAL A 56 2.762 6.723 2.659 1.00 24.22 C ATOM 0 H VAL A 56 5.000 8.253 1.962 1.00 60.21 H new ATOM 0 HA VAL A 56 4.476 5.701 0.895 1.00 33.03 H new ATOM 0 HB VAL A 56 2.805 8.217 1.145 1.00 35.33 H new ATOM 0 HG11 VAL A 56 0.859 6.765 0.774 1.00 12.11 H new ATOM 0 HG12 VAL A 56 1.929 6.821 -0.647 1.00 12.11 H new ATOM 0 HG13 VAL A 56 1.951 5.403 0.428 1.00 12.11 H new ATOM 0 HG21 VAL A 56 1.766 6.993 3.011 1.00 24.22 H new ATOM 0 HG22 VAL A 56 2.898 5.645 2.745 1.00 24.22 H new ATOM 0 HG23 VAL A 56 3.512 7.232 3.264 1.00 24.22 H new ATOM 870 N ARG A 57 4.470 8.302 -1.116 1.00 30.33 N ATOM 871 CA ARG A 57 4.579 8.712 -2.507 1.00 74.31 C ATOM 872 C ARG A 57 5.757 8.048 -3.162 1.00 21.53 C ATOM 873 O ARG A 57 5.681 7.617 -4.295 1.00 22.34 O ATOM 874 CB ARG A 57 4.701 10.214 -2.615 1.00 52.41 C ATOM 875 CG ARG A 57 3.481 10.940 -2.136 1.00 65.43 C ATOM 876 CD ARG A 57 3.650 12.423 -2.271 1.00 62.21 C ATOM 877 NE ARG A 57 2.451 13.158 -1.877 1.00 14.03 N ATOM 878 CZ ARG A 57 2.385 14.490 -1.825 1.00 4.12 C ATOM 879 NH1 ARG A 57 3.455 15.221 -2.119 1.00 42.12 N ATOM 880 NH2 ARG A 57 1.256 15.087 -1.494 1.00 33.15 N ATOM 0 H ARG A 57 4.455 9.076 -0.452 1.00 30.33 H new ATOM 0 HA ARG A 57 3.671 8.401 -3.023 1.00 74.31 H new ATOM 0 HB2 ARG A 57 5.564 10.545 -2.036 1.00 52.41 H new ATOM 0 HB3 ARG A 57 4.892 10.483 -3.654 1.00 52.41 H new ATOM 0 HG2 ARG A 57 2.612 10.616 -2.709 1.00 65.43 H new ATOM 0 HG3 ARG A 57 3.288 10.686 -1.094 1.00 65.43 H new ATOM 0 HD2 ARG A 57 4.490 12.748 -1.657 1.00 62.21 H new ATOM 0 HD3 ARG A 57 3.898 12.665 -3.304 1.00 62.21 H new ATOM 0 HE ARG A 57 1.618 12.624 -1.628 1.00 14.03 H new ATOM 0 HH11 ARG A 57 4.327 14.764 -2.385 1.00 42.12 H new ATOM 0 HH12 ARG A 57 3.404 16.239 -2.079 1.00 42.12 H new ATOM 0 HH21 ARG A 57 0.429 14.530 -1.277 1.00 33.15 H new ATOM 0 HH22 ARG A 57 1.210 16.105 -1.455 1.00 33.15 H new ATOM 894 N ASP A 58 6.825 7.943 -2.429 1.00 1.04 N ATOM 895 CA ASP A 58 8.014 7.296 -2.919 1.00 62.43 C ATOM 896 C ASP A 58 7.802 5.794 -3.134 1.00 65.42 C ATOM 897 O ASP A 58 8.147 5.269 -4.178 1.00 34.44 O ATOM 898 CB ASP A 58 9.197 7.550 -1.990 1.00 30.25 C ATOM 899 CG ASP A 58 10.462 6.870 -2.452 1.00 74.11 C ATOM 900 OD1 ASP A 58 11.154 7.412 -3.343 1.00 41.24 O ATOM 901 OD2 ASP A 58 10.794 5.791 -1.925 1.00 42.03 O ATOM 0 H ASP A 58 6.901 8.301 -1.477 1.00 1.04 H new ATOM 0 HA ASP A 58 8.241 7.734 -3.891 1.00 62.43 H new ATOM 0 HB2 ASP A 58 9.373 8.623 -1.919 1.00 30.25 H new ATOM 0 HB3 ASP A 58 8.948 7.200 -0.988 1.00 30.25 H new ATOM 906 N CYS A 59 7.190 5.110 -2.183 1.00 65.53 N ATOM 907 CA CYS A 59 7.011 3.659 -2.317 1.00 72.23 C ATOM 908 C CYS A 59 5.877 3.275 -3.220 1.00 22.35 C ATOM 909 O CYS A 59 5.963 2.270 -3.941 1.00 21.02 O ATOM 910 CB CYS A 59 6.838 2.994 -1.003 1.00 5.31 C ATOM 911 SG CYS A 59 8.279 3.133 0.072 1.00 33.42 S ATOM 0 H CYS A 59 6.814 5.515 -1.326 1.00 65.53 H new ATOM 0 HA CYS A 59 7.935 3.310 -2.779 1.00 72.23 H new ATOM 0 HB2 CYS A 59 5.975 3.427 -0.497 1.00 5.31 H new ATOM 0 HB3 CYS A 59 6.617 1.939 -1.165 1.00 5.31 H new ATOM 916 N VAL A 60 4.821 4.062 -3.206 1.00 52.41 N ATOM 917 CA VAL A 60 3.673 3.812 -4.038 1.00 43.44 C ATOM 918 C VAL A 60 4.128 3.942 -5.504 1.00 45.54 C ATOM 919 O VAL A 60 3.587 3.330 -6.394 1.00 72.54 O ATOM 920 CB VAL A 60 2.482 4.793 -3.705 1.00 55.24 C ATOM 921 CG1 VAL A 60 2.698 6.169 -4.254 1.00 60.24 C ATOM 922 CG2 VAL A 60 1.165 4.262 -4.167 1.00 41.31 C ATOM 0 H VAL A 60 4.739 4.891 -2.617 1.00 52.41 H new ATOM 0 HA VAL A 60 3.287 2.809 -3.852 1.00 43.44 H new ATOM 0 HB VAL A 60 2.461 4.864 -2.618 1.00 55.24 H new ATOM 0 HG11 VAL A 60 1.849 6.801 -3.995 1.00 60.24 H new ATOM 0 HG12 VAL A 60 3.608 6.592 -3.828 1.00 60.24 H new ATOM 0 HG13 VAL A 60 2.795 6.117 -5.338 1.00 60.24 H new ATOM 0 HG21 VAL A 60 0.378 4.972 -3.915 1.00 41.31 H new ATOM 0 HG22 VAL A 60 1.190 4.116 -5.247 1.00 41.31 H new ATOM 0 HG23 VAL A 60 0.965 3.309 -3.677 1.00 41.31 H new ATOM 932 N ARG A 61 5.173 4.729 -5.715 1.00 64.35 N ATOM 933 CA ARG A 61 5.714 4.898 -7.052 1.00 14.14 C ATOM 934 C ARG A 61 6.828 3.895 -7.313 1.00 62.31 C ATOM 935 O ARG A 61 6.997 3.431 -8.432 1.00 71.31 O ATOM 936 CB ARG A 61 6.172 6.334 -7.330 1.00 4.32 C ATOM 937 CG ARG A 61 5.052 7.376 -7.253 1.00 44.02 C ATOM 938 CD ARG A 61 3.904 7.055 -8.202 1.00 50.02 C ATOM 939 NE ARG A 61 2.840 8.073 -8.143 1.00 12.31 N ATOM 940 CZ ARG A 61 1.623 7.947 -8.693 1.00 62.42 C ATOM 941 NH1 ARG A 61 1.283 6.825 -9.303 1.00 23.33 N ATOM 942 NH2 ARG A 61 0.753 8.948 -8.621 1.00 62.11 N ATOM 0 H ARG A 61 5.657 5.254 -4.986 1.00 64.35 H new ATOM 0 HA ARG A 61 4.902 4.699 -7.752 1.00 14.14 H new ATOM 0 HB2 ARG A 61 6.950 6.600 -6.615 1.00 4.32 H new ATOM 0 HB3 ARG A 61 6.623 6.374 -8.322 1.00 4.32 H new ATOM 0 HG2 ARG A 61 4.674 7.427 -6.232 1.00 44.02 H new ATOM 0 HG3 ARG A 61 5.456 8.360 -7.493 1.00 44.02 H new ATOM 0 HD2 ARG A 61 4.284 6.986 -9.221 1.00 50.02 H new ATOM 0 HD3 ARG A 61 3.487 6.080 -7.951 1.00 50.02 H new ATOM 0 HE ARG A 61 3.045 8.940 -7.646 1.00 12.31 H new ATOM 0 HH11 ARG A 61 1.947 6.052 -9.356 1.00 23.33 H new ATOM 0 HH12 ARG A 61 0.357 6.732 -9.720 1.00 23.33 H new ATOM 0 HH21 ARG A 61 1.010 9.814 -8.147 1.00 62.11 H new ATOM 0 HH22 ARG A 61 -0.172 8.851 -9.040 1.00 62.11 H new ATOM 956 N SER A 62 7.576 3.548 -6.270 1.00 61.12 N ATOM 957 CA SER A 62 8.606 2.524 -6.376 1.00 65.33 C ATOM 958 C SER A 62 7.997 1.179 -6.808 1.00 0.21 C ATOM 959 O SER A 62 8.572 0.461 -7.623 1.00 41.12 O ATOM 960 CB SER A 62 9.420 2.408 -5.059 1.00 34.42 C ATOM 961 OG SER A 62 10.124 3.622 -4.796 1.00 22.22 O ATOM 0 H SER A 62 7.487 3.962 -5.342 1.00 61.12 H new ATOM 0 HA SER A 62 9.309 2.823 -7.154 1.00 65.33 H new ATOM 0 HB2 SER A 62 8.750 2.183 -4.229 1.00 34.42 H new ATOM 0 HB3 SER A 62 10.126 1.580 -5.133 1.00 34.42 H new ATOM 0 HG SER A 62 9.483 4.332 -4.584 1.00 22.22 H new ATOM 967 N MET A 63 6.830 0.852 -6.270 1.00 44.32 N ATOM 968 CA MET A 63 6.106 -0.348 -6.686 1.00 51.20 C ATOM 969 C MET A 63 5.419 -0.181 -8.013 1.00 75.35 C ATOM 970 O MET A 63 5.266 -1.142 -8.756 1.00 13.14 O ATOM 971 CB MET A 63 5.140 -0.833 -5.629 1.00 65.14 C ATOM 972 CG MET A 63 5.834 -1.486 -4.478 1.00 1.32 C ATOM 973 SD MET A 63 6.760 -2.940 -5.018 1.00 12.11 S ATOM 974 CE MET A 63 7.494 -3.474 -3.484 1.00 60.04 C ATOM 0 H MET A 63 6.363 1.398 -5.546 1.00 44.32 H new ATOM 0 HA MET A 63 6.865 -1.120 -6.814 1.00 51.20 H new ATOM 0 HB2 MET A 63 4.552 0.009 -5.264 1.00 65.14 H new ATOM 0 HB3 MET A 63 4.441 -1.540 -6.076 1.00 65.14 H new ATOM 0 HG2 MET A 63 6.511 -0.774 -4.006 1.00 1.32 H new ATOM 0 HG3 MET A 63 5.102 -1.776 -3.725 1.00 1.32 H new ATOM 0 HE1 MET A 63 8.548 -3.701 -3.645 1.00 60.04 H new ATOM 0 HE2 MET A 63 7.402 -2.681 -2.741 1.00 60.04 H new ATOM 0 HE3 MET A 63 6.981 -4.367 -3.127 1.00 60.04 H new ATOM 984 N ASP A 64 5.006 1.032 -8.309 1.00 14.11 N ATOM 985 CA ASP A 64 4.355 1.337 -9.596 1.00 52.10 C ATOM 986 C ASP A 64 5.286 1.023 -10.747 1.00 21.04 C ATOM 987 O ASP A 64 4.886 0.422 -11.731 1.00 24.14 O ATOM 988 CB ASP A 64 3.918 2.797 -9.668 1.00 12.51 C ATOM 989 CG ASP A 64 3.231 3.127 -10.975 1.00 73.13 C ATOM 990 OD1 ASP A 64 2.042 2.784 -11.128 1.00 22.33 O ATOM 991 OD2 ASP A 64 3.861 3.742 -11.860 1.00 42.31 O ATOM 0 H ASP A 64 5.103 1.834 -7.686 1.00 14.11 H new ATOM 0 HA ASP A 64 3.466 0.711 -9.671 1.00 52.10 H new ATOM 0 HB2 ASP A 64 3.242 3.013 -8.840 1.00 12.51 H new ATOM 0 HB3 ASP A 64 4.789 3.441 -9.545 1.00 12.51 H new ATOM 996 N ARG A 65 6.546 1.419 -10.588 1.00 34.04 N ATOM 997 CA ARG A 65 7.593 1.150 -11.580 1.00 42.21 C ATOM 998 C ARG A 65 7.761 -0.354 -11.793 1.00 73.40 C ATOM 999 O ARG A 65 8.047 -0.812 -12.899 1.00 13.51 O ATOM 1000 CB ARG A 65 8.932 1.718 -11.099 1.00 54.11 C ATOM 1001 CG ARG A 65 8.974 3.223 -10.922 1.00 32.23 C ATOM 1002 CD ARG A 65 10.314 3.659 -10.341 1.00 2.12 C ATOM 1003 NE ARG A 65 11.452 3.276 -11.200 1.00 74.51 N ATOM 1004 CZ ARG A 65 12.740 3.261 -10.817 1.00 2.41 C ATOM 1005 NH1 ARG A 65 13.076 3.555 -9.561 1.00 51.14 N ATOM 1006 NH2 ARG A 65 13.681 2.936 -11.684 1.00 50.34 N ATOM 0 H ARG A 65 6.874 1.935 -9.771 1.00 34.04 H new ATOM 0 HA ARG A 65 7.296 1.623 -12.516 1.00 42.21 H new ATOM 0 HB2 ARG A 65 9.185 1.250 -10.148 1.00 54.11 H new ATOM 0 HB3 ARG A 65 9.706 1.431 -11.811 1.00 54.11 H new ATOM 0 HG2 ARG A 65 8.812 3.712 -11.883 1.00 32.23 H new ATOM 0 HG3 ARG A 65 8.166 3.540 -10.263 1.00 32.23 H new ATOM 0 HD2 ARG A 65 10.313 4.740 -10.205 1.00 2.12 H new ATOM 0 HD3 ARG A 65 10.441 3.214 -9.354 1.00 2.12 H new ATOM 0 HE ARG A 65 11.244 3.001 -12.160 1.00 74.51 H new ATOM 0 HH11 ARG A 65 12.353 3.794 -8.882 1.00 51.14 H new ATOM 0 HH12 ARG A 65 14.056 3.541 -9.279 1.00 51.14 H new ATOM 0 HH21 ARG A 65 13.430 2.697 -12.643 1.00 50.34 H new ATOM 0 HH22 ARG A 65 14.659 2.924 -11.395 1.00 50.34 H new