USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 398 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 Set 1.1: A 31 THR OG1 : rot -78:sc= 0.104 USER MOD Set 1.2: A 32 ASN : amide:sc= -1.43 K(o=-1.3,f=-0.19) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -47:sc= -1.04 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -8:sc= 0.165! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= -0.227 (180deg=-1.03) USER MOD Single : A 47 MET CE :methyl -145:sc= -3.23 (180deg=-6.29!) USER MOD Single : A 49 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.051) USER MOD Single : A 50 ASN : amide:sc= 0.809 K(o=0.81,f=-0.043) USER MOD Single : A 52 ASN : amide:sc=-0.00549 K(o=-0.0055,f=-0.51) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.073) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.008 -3.012 7.174 1.00 0.00 N ATOM 165 CA PRO A 14 -4.957 -1.597 6.792 1.00 0.00 C ATOM 166 C PRO A 14 -6.339 -1.030 6.485 1.00 0.00 C ATOM 167 O PRO A 14 -7.161 -1.685 5.846 1.00 0.00 O ATOM 168 CB PRO A 14 -4.088 -1.601 5.533 1.00 0.00 C ATOM 169 CG PRO A 14 -4.247 -2.969 4.966 1.00 0.00 C ATOM 170 CD PRO A 14 -4.424 -3.887 6.143 1.00 0.00 C ATOM 0 HA PRO A 14 -4.565 -0.971 7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.414 -0.839 4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.045 -1.390 5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.109 -3.018 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.374 -3.252 4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.082 -4.723 5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.474 -4.312 6.468 1.00 0.00 H new ATOM 178 N SER A 15 -6.586 0.193 6.943 1.00 0.00 N ATOM 179 CA SER A 15 -7.870 0.848 6.719 1.00 0.00 C ATOM 180 C SER A 15 -7.863 1.623 5.405 1.00 0.00 C ATOM 181 O SER A 15 -6.805 1.910 4.846 1.00 0.00 O ATOM 182 CB SER A 15 -8.194 1.791 7.879 1.00 0.00 C ATOM 183 OG SER A 15 -9.575 2.110 7.907 1.00 0.00 O ATOM 0 H SER A 15 -5.915 0.750 7.471 1.00 0.00 H new ATOM 0 HA SER A 15 -8.638 0.077 6.661 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.906 1.325 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.608 2.705 7.783 1.00 0.00 H new ATOM 0 HG SER A 15 -9.756 2.712 8.658 1.00 0.00 H new ATOM 189 N GLY A 16 -9.053 1.960 4.917 1.00 0.00 N ATOM 190 CA GLY A 16 -9.162 2.699 3.673 1.00 0.00 C ATOM 191 C GLY A 16 -8.289 3.937 3.655 1.00 0.00 C ATOM 192 O GLY A 16 -7.783 4.334 2.605 1.00 0.00 O ATOM 0 H GLY A 16 -9.943 1.734 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.883 2.050 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.201 2.989 3.516 1.00 0.00 H new ATOM 196 N PHE A 17 -8.111 4.551 4.820 1.00 0.00 N ATOM 197 CA PHE A 17 -7.295 5.754 4.934 1.00 0.00 C ATOM 198 C PHE A 17 -5.833 5.451 4.618 1.00 0.00 C ATOM 199 O PHE A 17 -5.081 6.331 4.199 1.00 0.00 O ATOM 200 CB PHE A 17 -7.413 6.345 6.341 1.00 0.00 C ATOM 201 CG PHE A 17 -6.205 7.130 6.764 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.685 8.121 5.947 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.589 6.878 7.979 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.574 8.846 6.334 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.477 7.600 8.371 1.00 0.00 C ATOM 206 CZ PHE A 17 -3.968 8.584 7.547 1.00 0.00 C ATOM 0 H PHE A 17 -8.521 4.235 5.699 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.662 6.482 4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.290 6.992 6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.579 5.537 7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.154 8.329 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.982 6.109 8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.180 9.617 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.007 7.394 9.321 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.098 9.147 7.850 1.00 0.00 H new ATOM 216 N PHE A 18 -5.437 4.199 4.824 1.00 0.00 N ATOM 217 CA PHE A 18 -4.065 3.779 4.564 1.00 0.00 C ATOM 218 C PHE A 18 -3.901 3.324 3.117 1.00 0.00 C ATOM 219 O PHE A 18 -2.954 3.718 2.433 1.00 0.00 O ATOM 220 CB PHE A 18 -3.666 2.648 5.514 1.00 0.00 C ATOM 221 CG PHE A 18 -2.301 2.086 5.237 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.072 1.311 4.111 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.247 2.331 6.103 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.817 0.792 3.853 1.00 0.00 C ATOM 225 CE2 PHE A 18 0.010 1.816 5.849 1.00 0.00 C ATOM 226 CZ PHE A 18 0.225 1.044 4.724 1.00 0.00 C ATOM 0 H PHE A 18 -6.047 3.458 5.170 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.411 4.634 4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.697 3.017 6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.402 1.847 5.442 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.883 1.110 3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.410 2.931 6.986 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.651 0.190 2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.824 2.017 6.530 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.206 0.638 4.526 1.00 0.00 H new ATOM 236 N LEU A 19 -4.829 2.493 2.655 1.00 0.00 N ATOM 237 CA LEU A 19 -4.788 1.983 1.289 1.00 0.00 C ATOM 238 C LEU A 19 -4.594 3.119 0.290 1.00 0.00 C ATOM 239 O LEU A 19 -3.877 2.972 -0.701 1.00 0.00 O ATOM 240 CB LEU A 19 -6.076 1.222 0.970 1.00 0.00 C ATOM 241 CG LEU A 19 -6.132 -0.231 1.443 1.00 0.00 C ATOM 242 CD1 LEU A 19 -5.795 -0.324 2.923 1.00 0.00 C ATOM 243 CD2 LEU A 19 -7.504 -0.829 1.168 1.00 0.00 C ATOM 0 H LEU A 19 -5.619 2.158 3.206 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.941 1.302 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.912 1.761 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.226 1.238 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.390 -0.803 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.840 -1.365 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.791 0.064 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.512 0.262 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.525 -1.863 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.264 -0.255 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.707 -0.798 0.097 1.00 0.00 H new ATOM 255 N PHE A 20 -5.235 4.251 0.557 1.00 0.00 N ATOM 256 CA PHE A 20 -5.132 5.413 -0.319 1.00 0.00 C ATOM 257 C PHE A 20 -3.814 6.149 -0.093 1.00 0.00 C ATOM 258 O PHE A 20 -3.190 6.632 -1.039 1.00 0.00 O ATOM 259 CB PHE A 20 -6.307 6.364 -0.080 1.00 0.00 C ATOM 260 CG PHE A 20 -5.998 7.795 -0.417 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.197 8.559 0.416 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.509 8.375 -1.567 1.00 0.00 C ATOM 263 CE1 PHE A 20 -4.910 9.876 0.109 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.225 9.691 -1.880 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.426 10.443 -1.040 1.00 0.00 C ATOM 0 H PHE A 20 -5.832 4.389 1.373 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.161 5.063 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.158 6.034 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.607 6.302 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.792 8.120 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.136 7.793 -2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.283 10.461 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.627 10.131 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.205 11.472 -1.281 1.00 0.00 H new ATOM 275 N CYS A 21 -3.397 6.230 1.165 1.00 0.00 N ATOM 276 CA CYS A 21 -2.154 6.907 1.517 1.00 0.00 C ATOM 277 C CYS A 21 -0.956 6.214 0.875 1.00 0.00 C ATOM 278 O CYS A 21 -0.010 6.867 0.435 1.00 0.00 O ATOM 279 CB CYS A 21 -1.982 6.947 3.036 1.00 0.00 C ATOM 280 SG CYS A 21 -1.178 5.481 3.726 1.00 0.00 S ATOM 0 H CYS A 21 -3.901 5.835 1.959 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.206 7.928 1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.398 7.828 3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.962 7.063 3.499 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.719 4.412 3.223 1.00 0.00 H new ATOM 286 N SER A 22 -1.003 4.886 0.827 1.00 0.00 N ATOM 287 CA SER A 22 0.080 4.103 0.245 1.00 0.00 C ATOM 288 C SER A 22 0.033 4.161 -1.279 1.00 0.00 C ATOM 289 O SER A 22 1.039 3.931 -1.950 1.00 0.00 O ATOM 290 CB SER A 22 -0.003 2.650 0.714 1.00 0.00 C ATOM 291 OG SER A 22 1.188 1.946 0.408 1.00 0.00 O ATOM 0 H SER A 22 -1.780 4.330 1.184 1.00 0.00 H new ATOM 0 HA SER A 22 1.025 4.531 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.180 2.621 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.852 2.159 0.238 1.00 0.00 H new ATOM 0 HG SER A 22 1.110 1.020 0.720 1.00 0.00 H new ATOM 297 N GLU A 23 -1.142 4.470 -1.818 1.00 0.00 N ATOM 298 CA GLU A 23 -1.321 4.557 -3.262 1.00 0.00 C ATOM 299 C GLU A 23 -0.940 5.943 -3.775 1.00 0.00 C ATOM 300 O GLU A 23 -0.485 6.095 -4.909 1.00 0.00 O ATOM 301 CB GLU A 23 -2.769 4.241 -3.640 1.00 0.00 C ATOM 302 CG GLU A 23 -3.054 4.375 -5.126 1.00 0.00 C ATOM 303 CD GLU A 23 -2.785 3.093 -5.889 1.00 0.00 C ATOM 304 OE1 GLU A 23 -1.796 2.405 -5.562 1.00 0.00 O ATOM 305 OE2 GLU A 23 -3.564 2.778 -6.813 1.00 0.00 O ATOM 0 H GLU A 23 -1.984 4.664 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.664 3.823 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.004 3.225 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.433 4.908 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.095 4.666 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.440 5.175 -5.539 1.00 0.00 H new ATOM 312 N PHE A 24 -1.132 6.952 -2.932 1.00 0.00 N ATOM 313 CA PHE A 24 -0.811 8.327 -3.299 1.00 0.00 C ATOM 314 C PHE A 24 0.601 8.693 -2.852 1.00 0.00 C ATOM 315 O PHE A 24 1.148 9.717 -3.263 1.00 0.00 O ATOM 316 CB PHE A 24 -1.822 9.292 -2.676 1.00 0.00 C ATOM 317 CG PHE A 24 -3.017 9.553 -3.548 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.906 8.534 -3.849 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.251 10.816 -4.066 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.007 8.771 -4.651 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.350 11.060 -4.868 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.229 10.036 -5.160 1.00 0.00 C ATOM 0 H PHE A 24 -1.508 6.844 -1.990 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.862 8.409 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.160 8.886 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.325 10.238 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.737 7.544 -3.453 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.566 11.620 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.693 7.968 -4.879 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.521 12.050 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.089 10.224 -5.786 1.00 0.00 H new ATOM 332 N ARG A 25 1.186 7.850 -2.008 1.00 0.00 N ATOM 333 CA ARG A 25 2.534 8.085 -1.504 1.00 0.00 C ATOM 334 C ARG A 25 3.526 8.233 -2.653 1.00 0.00 C ATOM 335 O ARG A 25 4.370 9.130 -2.667 1.00 0.00 O ATOM 336 CB ARG A 25 2.966 6.939 -0.587 1.00 0.00 C ATOM 337 CG ARG A 25 3.901 7.372 0.530 1.00 0.00 C ATOM 338 CD ARG A 25 4.589 6.179 1.174 1.00 0.00 C ATOM 339 NE ARG A 25 3.673 5.401 2.005 1.00 0.00 N ATOM 340 CZ ARG A 25 3.975 4.214 2.518 1.00 0.00 C ATOM 341 NH1 ARG A 25 5.163 3.671 2.287 1.00 0.00 N ATOM 342 NH2 ARG A 25 3.089 3.567 3.264 1.00 0.00 N ATOM 0 H ARG A 25 0.748 6.998 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 25 2.524 9.014 -0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.079 6.481 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.459 6.172 -1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.651 8.056 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.338 7.920 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.006 5.538 0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.424 6.527 1.783 1.00 0.00 H new ATOM 0 HE ARG A 25 2.751 5.791 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.847 4.165 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.392 2.759 2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.174 3.981 3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.322 2.655 3.657 1.00 0.00 H new ATOM 356 N PRO A 26 3.426 7.332 -3.642 1.00 0.00 N ATOM 357 CA PRO A 26 4.306 7.341 -4.814 1.00 0.00 C ATOM 358 C PRO A 26 4.428 8.728 -5.437 1.00 0.00 C ATOM 359 O PRO A 26 5.530 9.195 -5.726 1.00 0.00 O ATOM 360 CB PRO A 26 3.616 6.379 -5.784 1.00 0.00 C ATOM 361 CG PRO A 26 2.835 5.458 -4.911 1.00 0.00 C ATOM 362 CD PRO A 26 2.444 6.235 -3.692 1.00 0.00 C ATOM 0 HA PRO A 26 5.326 7.053 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.966 6.914 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.343 5.833 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.952 5.089 -5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.431 4.587 -4.638 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.425 6.614 -3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.487 5.619 -2.794 1.00 0.00 H new ATOM 370 N LYS A 27 3.290 9.382 -5.640 1.00 0.00 N ATOM 371 CA LYS A 27 3.268 10.717 -6.227 1.00 0.00 C ATOM 372 C LYS A 27 3.978 11.720 -5.323 1.00 0.00 C ATOM 373 O LYS A 27 4.847 12.468 -5.773 1.00 0.00 O ATOM 374 CB LYS A 27 1.826 11.166 -6.470 1.00 0.00 C ATOM 375 CG LYS A 27 1.032 10.213 -7.347 1.00 0.00 C ATOM 376 CD LYS A 27 -0.452 10.263 -7.024 1.00 0.00 C ATOM 377 CE LYS A 27 -1.197 9.090 -7.642 1.00 0.00 C ATOM 378 NZ LYS A 27 -2.615 9.430 -7.945 1.00 0.00 N ATOM 0 H LYS A 27 2.370 9.009 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 27 3.795 10.676 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.320 11.270 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.835 12.152 -6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.186 10.468 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.401 9.197 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.591 10.254 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.874 11.198 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.694 8.783 -8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.165 8.240 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.088 8.604 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.103 9.699 -7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.646 10.225 -8.615 1.00 0.00 H new ATOM 392 N ILE A 28 3.605 11.729 -4.048 1.00 0.00 N ATOM 393 CA ILE A 28 4.209 12.638 -3.082 1.00 0.00 C ATOM 394 C ILE A 28 5.725 12.476 -3.047 1.00 0.00 C ATOM 395 O ILE A 28 6.466 13.459 -3.032 1.00 0.00 O ATOM 396 CB ILE A 28 3.647 12.410 -1.667 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.117 12.453 -1.689 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.197 13.452 -0.704 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.490 12.361 -0.315 1.00 0.00 C ATOM 0 H ILE A 28 2.887 11.117 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 28 3.962 13.650 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 28 3.960 11.424 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.794 13.379 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.747 11.632 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.790 13.277 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.284 13.378 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.911 14.448 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.405 12.398 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.783 11.423 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.830 13.196 0.297 1.00 0.00 H new ATOM 411 N LYS A 29 6.180 11.228 -3.036 1.00 0.00 N ATOM 412 CA LYS A 29 7.608 10.934 -3.006 1.00 0.00 C ATOM 413 C LYS A 29 8.261 11.272 -4.342 1.00 0.00 C ATOM 414 O LYS A 29 9.481 11.415 -4.429 1.00 0.00 O ATOM 415 CB LYS A 29 7.840 9.459 -2.672 1.00 0.00 C ATOM 416 CG LYS A 29 7.265 9.041 -1.329 1.00 0.00 C ATOM 417 CD LYS A 29 7.582 7.589 -1.014 1.00 0.00 C ATOM 418 CE LYS A 29 9.032 7.414 -0.591 1.00 0.00 C ATOM 419 NZ LYS A 29 9.393 5.979 -0.426 1.00 0.00 N ATOM 0 H LYS A 29 5.580 10.403 -3.047 1.00 0.00 H new ATOM 0 HA LYS A 29 8.064 11.551 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.396 8.844 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.911 9.258 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.669 9.681 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.185 9.186 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.925 7.236 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.381 6.973 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.685 7.869 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.203 7.941 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.389 5.903 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.787 5.550 0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.255 5.480 -1.328 1.00 0.00 H new ATOM 433 N SER A 30 7.442 11.400 -5.381 1.00 0.00 N ATOM 434 CA SER A 30 7.941 11.720 -6.713 1.00 0.00 C ATOM 435 C SER A 30 7.827 13.215 -6.992 1.00 0.00 C ATOM 436 O SER A 30 8.390 13.723 -7.962 1.00 0.00 O ATOM 437 CB SER A 30 7.167 10.932 -7.772 1.00 0.00 C ATOM 438 OG SER A 30 7.438 11.425 -9.073 1.00 0.00 O ATOM 0 H SER A 30 6.430 11.287 -5.326 1.00 0.00 H new ATOM 0 HA SER A 30 8.993 11.440 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.438 9.878 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.098 10.998 -7.570 1.00 0.00 H new ATOM 0 HG SER A 30 7.967 12.248 -9.008 1.00 0.00 H new ATOM 444 N THR A 31 7.095 13.917 -6.132 1.00 0.00 N ATOM 445 CA THR A 31 6.905 15.354 -6.285 1.00 0.00 C ATOM 446 C THR A 31 7.828 16.132 -5.354 1.00 0.00 C ATOM 447 O THR A 31 8.430 17.129 -5.752 1.00 0.00 O ATOM 448 CB THR A 31 5.447 15.762 -6.001 1.00 0.00 C ATOM 449 OG1 THR A 31 4.849 14.838 -5.085 1.00 0.00 O ATOM 450 CG2 THR A 31 4.637 15.803 -7.288 1.00 0.00 C ATOM 0 H THR A 31 6.624 13.513 -5.322 1.00 0.00 H new ATOM 0 HA THR A 31 7.147 15.596 -7.320 1.00 0.00 H new ATOM 0 HB THR A 31 5.451 16.759 -5.560 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.595 14.021 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.611 16.093 -7.063 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.078 16.528 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.641 14.817 -7.752 1.00 0.00 H new ATOM 458 N ASN A 32 7.936 15.670 -4.113 1.00 0.00 N ATOM 459 CA ASN A 32 8.787 16.324 -3.125 1.00 0.00 C ATOM 460 C ASN A 32 10.198 15.744 -3.154 1.00 0.00 C ATOM 461 O ASN A 32 10.397 14.529 -3.165 1.00 0.00 O ATOM 462 CB ASN A 32 8.189 16.170 -1.725 1.00 0.00 C ATOM 463 CG ASN A 32 6.885 16.928 -1.567 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.778 17.836 -0.742 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.886 16.556 -2.358 1.00 0.00 N ATOM 0 H ASN A 32 7.445 14.845 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 32 8.843 17.384 -3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.019 15.113 -1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.906 16.527 -0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.984 17.028 -2.297 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.020 15.798 -3.027 1.00 0.00 H new ATOM 472 N PRO A 33 11.202 16.633 -3.166 1.00 0.00 N ATOM 473 CA PRO A 33 12.613 16.233 -3.193 1.00 0.00 C ATOM 474 C PRO A 33 13.060 15.598 -1.881 1.00 0.00 C ATOM 475 O PRO A 33 13.054 16.244 -0.834 1.00 0.00 O ATOM 476 CB PRO A 33 13.351 17.553 -3.427 1.00 0.00 C ATOM 477 CG PRO A 33 12.432 18.600 -2.899 1.00 0.00 C ATOM 478 CD PRO A 33 11.039 18.096 -3.155 1.00 0.00 C ATOM 0 HA PRO A 33 12.809 15.479 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.309 17.568 -2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.560 17.707 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.598 18.764 -1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.600 19.554 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.346 18.417 -2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.647 18.464 -4.103 1.00 0.00 H new ATOM 486 N GLY A 34 13.448 14.328 -1.945 1.00 0.00 N ATOM 487 CA GLY A 34 13.894 13.628 -0.755 1.00 0.00 C ATOM 488 C GLY A 34 13.024 13.922 0.451 1.00 0.00 C ATOM 489 O GLY A 34 13.529 14.271 1.519 1.00 0.00 O ATOM 0 H GLY A 34 13.461 13.772 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.893 12.555 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.923 13.912 -0.535 1.00 0.00 H new ATOM 493 N ILE A 35 11.713 13.784 0.281 1.00 0.00 N ATOM 494 CA ILE A 35 10.772 14.038 1.365 1.00 0.00 C ATOM 495 C ILE A 35 10.990 13.068 2.521 1.00 0.00 C ATOM 496 O ILE A 35 11.486 11.958 2.329 1.00 0.00 O ATOM 497 CB ILE A 35 9.314 13.924 0.882 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.351 14.334 1.998 1.00 0.00 C ATOM 499 CG2 ILE A 35 9.019 12.506 0.415 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.985 14.748 1.495 1.00 0.00 C ATOM 0 H ILE A 35 11.279 13.498 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 35 10.954 15.056 1.709 1.00 0.00 H new ATOM 0 HB ILE A 35 9.173 14.600 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.237 13.502 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.788 15.160 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.985 12.442 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.686 12.248 -0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.174 11.811 1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.355 15.025 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.088 15.600 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.527 13.917 0.959 1.00 0.00 H new ATOM 512 N SER A 36 10.613 13.494 3.723 1.00 0.00 N ATOM 513 CA SER A 36 10.769 12.664 4.911 1.00 0.00 C ATOM 514 C SER A 36 9.452 11.985 5.276 1.00 0.00 C ATOM 515 O SER A 36 8.374 12.520 5.019 1.00 0.00 O ATOM 516 CB SER A 36 11.263 13.508 6.088 1.00 0.00 C ATOM 517 OG SER A 36 11.979 12.716 7.019 1.00 0.00 O ATOM 0 H SER A 36 10.198 14.409 3.899 1.00 0.00 H new ATOM 0 HA SER A 36 11.507 11.893 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.903 14.310 5.721 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.414 13.979 6.584 1.00 0.00 H new ATOM 0 HG SER A 36 12.285 13.279 7.760 1.00 0.00 H new ATOM 523 N ILE A 37 9.550 10.804 5.876 1.00 0.00 N ATOM 524 CA ILE A 37 8.368 10.051 6.277 1.00 0.00 C ATOM 525 C ILE A 37 7.372 10.943 7.011 1.00 0.00 C ATOM 526 O ILE A 37 6.170 10.896 6.749 1.00 0.00 O ATOM 527 CB ILE A 37 8.738 8.861 7.182 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.646 7.885 6.432 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.481 8.156 7.671 1.00 0.00 C ATOM 530 CD1 ILE A 37 10.268 6.832 7.323 1.00 0.00 C ATOM 0 H ILE A 37 10.436 10.348 6.095 1.00 0.00 H new ATOM 0 HA ILE A 37 7.910 9.673 5.363 1.00 0.00 H new ATOM 0 HB ILE A 37 9.280 9.238 8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.069 7.392 5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.439 8.446 5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.759 7.317 8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.868 8.856 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.914 7.789 6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.899 6.175 6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.873 7.316 8.090 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.481 6.246 7.797 1.00 0.00 H new ATOM 542 N GLY A 38 7.880 11.757 7.931 1.00 0.00 N ATOM 543 CA GLY A 38 7.022 12.650 8.688 1.00 0.00 C ATOM 544 C GLY A 38 6.260 13.613 7.799 1.00 0.00 C ATOM 545 O GLY A 38 5.115 13.961 8.087 1.00 0.00 O ATOM 0 H GLY A 38 8.871 11.814 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.314 12.061 9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.627 13.216 9.397 1.00 0.00 H new ATOM 549 N ASP A 39 6.897 14.046 6.717 1.00 0.00 N ATOM 550 CA ASP A 39 6.272 14.976 5.783 1.00 0.00 C ATOM 551 C ASP A 39 5.089 14.322 5.074 1.00 0.00 C ATOM 552 O ASP A 39 3.947 14.759 5.218 1.00 0.00 O ATOM 553 CB ASP A 39 7.293 15.463 4.754 1.00 0.00 C ATOM 554 CG ASP A 39 8.285 16.447 5.343 1.00 0.00 C ATOM 555 OD1 ASP A 39 9.283 15.996 5.944 1.00 0.00 O ATOM 556 OD2 ASP A 39 8.064 17.667 5.201 1.00 0.00 O ATOM 0 H ASP A 39 7.845 13.768 6.465 1.00 0.00 H new ATOM 0 HA ASP A 39 5.905 15.831 6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.832 14.607 4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.770 15.934 3.922 1.00 0.00 H new ATOM 561 N VAL A 40 5.371 13.273 4.309 1.00 0.00 N ATOM 562 CA VAL A 40 4.332 12.559 3.578 1.00 0.00 C ATOM 563 C VAL A 40 3.123 12.286 4.466 1.00 0.00 C ATOM 564 O VAL A 40 1.979 12.438 4.039 1.00 0.00 O ATOM 565 CB VAL A 40 4.856 11.223 3.019 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.746 10.475 2.295 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.041 11.460 2.095 1.00 0.00 C ATOM 0 H VAL A 40 6.311 12.899 4.179 1.00 0.00 H new ATOM 0 HA VAL A 40 4.033 13.199 2.748 1.00 0.00 H new ATOM 0 HB VAL A 40 5.193 10.607 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.135 9.534 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.931 10.272 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.376 11.083 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.398 10.505 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.733 12.095 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.842 11.950 2.649 1.00 0.00 H new ATOM 577 N ALA A 41 3.386 11.884 5.705 1.00 0.00 N ATOM 578 CA ALA A 41 2.320 11.593 6.656 1.00 0.00 C ATOM 579 C ALA A 41 1.390 12.790 6.822 1.00 0.00 C ATOM 580 O ALA A 41 0.168 12.653 6.768 1.00 0.00 O ATOM 581 CB ALA A 41 2.907 11.188 8.000 1.00 0.00 C ATOM 0 H ALA A 41 4.328 11.752 6.074 1.00 0.00 H new ATOM 0 HA ALA A 41 1.734 10.762 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.099 10.974 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.524 10.298 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.519 12.002 8.390 1.00 0.00 H new ATOM 587 N LYS A 42 1.977 13.965 7.026 1.00 0.00 N ATOM 588 CA LYS A 42 1.202 15.188 7.199 1.00 0.00 C ATOM 589 C LYS A 42 0.313 15.446 5.987 1.00 0.00 C ATOM 590 O LYS A 42 -0.896 15.635 6.119 1.00 0.00 O ATOM 591 CB LYS A 42 2.135 16.380 7.424 1.00 0.00 C ATOM 592 CG LYS A 42 1.403 17.678 7.718 1.00 0.00 C ATOM 593 CD LYS A 42 2.269 18.888 7.409 1.00 0.00 C ATOM 594 CE LYS A 42 3.265 19.160 8.526 1.00 0.00 C ATOM 595 NZ LYS A 42 3.831 20.535 8.442 1.00 0.00 N ATOM 0 H LYS A 42 2.987 14.096 7.076 1.00 0.00 H new ATOM 0 HA LYS A 42 0.564 15.063 8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.805 16.155 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.757 16.516 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.488 17.723 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.106 17.700 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.805 18.724 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.635 19.763 7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.774 19.028 9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.074 18.431 8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.505 20.681 9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.321 20.654 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.062 21.232 8.514 1.00 0.00 H new ATOM 609 N LYS A 43 0.920 15.450 4.805 1.00 0.00 N ATOM 610 CA LYS A 43 0.184 15.682 3.567 1.00 0.00 C ATOM 611 C LYS A 43 -0.946 14.670 3.409 1.00 0.00 C ATOM 612 O LYS A 43 -2.101 15.042 3.197 1.00 0.00 O ATOM 613 CB LYS A 43 1.128 15.601 2.366 1.00 0.00 C ATOM 614 CG LYS A 43 1.899 16.884 2.110 1.00 0.00 C ATOM 615 CD LYS A 43 3.012 16.674 1.097 1.00 0.00 C ATOM 616 CE LYS A 43 2.468 16.600 -0.321 1.00 0.00 C ATOM 617 NZ LYS A 43 1.618 17.777 -0.652 1.00 0.00 N ATOM 0 H LYS A 43 1.920 15.295 4.678 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.250 16.681 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.836 14.787 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.550 15.351 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.217 17.653 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.322 17.248 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.731 17.490 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.549 15.755 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.298 16.542 -1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.885 15.687 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.546 17.874 -1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.668 17.643 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.045 18.637 -0.252 1.00 0.00 H new ATOM 631 N LEU A 44 -0.607 13.390 3.514 1.00 0.00 N ATOM 632 CA LEU A 44 -1.593 12.323 3.383 1.00 0.00 C ATOM 633 C LEU A 44 -2.829 12.619 4.228 1.00 0.00 C ATOM 634 O LEU A 44 -3.932 12.762 3.703 1.00 0.00 O ATOM 635 CB LEU A 44 -0.984 10.984 3.802 1.00 0.00 C ATOM 636 CG LEU A 44 0.105 10.426 2.884 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.966 9.418 3.629 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.514 9.792 1.647 1.00 0.00 C ATOM 0 H LEU A 44 0.344 13.066 3.690 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.894 12.266 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.566 11.095 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.786 10.249 3.871 1.00 0.00 H new ATOM 0 HG LEU A 44 0.742 11.250 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.735 9.032 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.438 9.904 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.343 8.595 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.275 9.400 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.175 8.979 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.086 10.542 1.101 1.00 0.00 H new ATOM 650 N GLY A 45 -2.635 12.710 5.540 1.00 0.00 N ATOM 651 CA GLY A 45 -3.742 12.990 6.436 1.00 0.00 C ATOM 652 C GLY A 45 -4.707 14.010 5.864 1.00 0.00 C ATOM 653 O GLY A 45 -5.921 13.812 5.900 1.00 0.00 O ATOM 0 H GLY A 45 -1.731 12.595 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.278 12.065 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.353 13.356 7.386 1.00 0.00 H new ATOM 657 N GLU A 46 -4.166 15.104 5.336 1.00 0.00 N ATOM 658 CA GLU A 46 -4.989 16.159 4.757 1.00 0.00 C ATOM 659 C GLU A 46 -5.735 15.653 3.526 1.00 0.00 C ATOM 660 O GLU A 46 -6.958 15.762 3.439 1.00 0.00 O ATOM 661 CB GLU A 46 -4.124 17.364 4.383 1.00 0.00 C ATOM 662 CG GLU A 46 -3.973 18.377 5.506 1.00 0.00 C ATOM 663 CD GLU A 46 -5.122 19.364 5.559 1.00 0.00 C ATOM 664 OE1 GLU A 46 -5.490 19.903 4.494 1.00 0.00 O ATOM 665 OE2 GLU A 46 -5.653 19.599 6.664 1.00 0.00 O ATOM 0 H GLU A 46 -3.162 15.282 5.297 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.721 16.465 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.136 17.013 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.560 17.859 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.907 17.851 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.037 18.921 5.376 1.00 0.00 H new ATOM 672 N MET A 47 -4.989 15.099 2.575 1.00 0.00 N ATOM 673 CA MET A 47 -5.579 14.575 1.349 1.00 0.00 C ATOM 674 C MET A 47 -6.754 13.654 1.661 1.00 0.00 C ATOM 675 O MET A 47 -7.793 13.713 1.004 1.00 0.00 O ATOM 676 CB MET A 47 -4.527 13.822 0.533 1.00 0.00 C ATOM 677 CG MET A 47 -3.266 14.629 0.274 1.00 0.00 C ATOM 678 SD MET A 47 -2.463 14.185 -1.279 1.00 0.00 S ATOM 679 CE MET A 47 -2.547 12.397 -1.204 1.00 0.00 C ATOM 0 H MET A 47 -3.975 15.002 2.630 1.00 0.00 H new ATOM 0 HA MET A 47 -5.947 15.417 0.764 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.260 12.905 1.058 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.962 13.527 -0.422 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.515 15.690 0.259 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.567 14.477 1.096 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.653 11.971 -1.660 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.610 12.079 -0.163 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.429 12.051 -1.743 1.00 0.00 H new ATOM 689 N TRP A 48 -6.581 12.803 2.667 1.00 0.00 N ATOM 690 CA TRP A 48 -7.628 11.869 3.065 1.00 0.00 C ATOM 691 C TRP A 48 -8.891 12.613 3.486 1.00 0.00 C ATOM 692 O TRP A 48 -9.956 12.424 2.901 1.00 0.00 O ATOM 693 CB TRP A 48 -7.139 10.981 4.211 1.00 0.00 C ATOM 694 CG TRP A 48 -8.217 10.122 4.799 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.725 10.196 6.064 1.00 0.00 C ATOM 696 CD2 TRP A 48 -8.917 9.058 4.144 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.699 9.243 6.236 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.836 8.532 5.073 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.858 8.501 2.865 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.687 7.475 4.760 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.703 7.452 2.556 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.608 6.948 3.499 1.00 0.00 C ATOM 0 H TRP A 48 -5.727 12.741 3.221 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.867 11.243 2.205 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.333 10.343 3.848 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.718 11.611 4.995 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.408 10.900 6.819 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.234 9.090 7.091 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.165 8.883 2.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.385 7.085 5.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.665 7.013 1.570 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.256 6.128 3.226 1.00 0.00 H new ATOM 713 N ASN A 49 -8.763 13.459 4.503 1.00 0.00 N ATOM 714 CA ASN A 49 -9.895 14.231 5.001 1.00 0.00 C ATOM 715 C ASN A 49 -10.588 14.977 3.864 1.00 0.00 C ATOM 716 O ASN A 49 -11.804 15.162 3.880 1.00 0.00 O ATOM 717 CB ASN A 49 -9.432 15.223 6.069 1.00 0.00 C ATOM 718 CG ASN A 49 -10.543 15.597 7.032 1.00 0.00 C ATOM 719 OD1 ASN A 49 -10.390 15.481 8.248 1.00 0.00 O ATOM 720 ND2 ASN A 49 -11.668 16.048 6.491 1.00 0.00 N ATOM 0 H ASN A 49 -7.887 13.627 4.998 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.609 13.537 5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.602 14.790 6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.056 16.124 5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.450 16.315 7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.750 16.128 5.477 1.00 0.00 H new ATOM 727 N ASN A 50 -9.804 15.401 2.879 1.00 0.00 N ATOM 728 CA ASN A 50 -10.342 16.127 1.733 1.00 0.00 C ATOM 729 C ASN A 50 -11.327 15.261 0.955 1.00 0.00 C ATOM 730 O ASN A 50 -12.367 15.740 0.501 1.00 0.00 O ATOM 731 CB ASN A 50 -9.207 16.581 0.813 1.00 0.00 C ATOM 732 CG ASN A 50 -8.680 17.954 1.180 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.211 18.974 0.740 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.628 17.987 1.990 1.00 0.00 N ATOM 0 H ASN A 50 -8.795 15.255 2.850 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.872 17.004 2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.393 15.858 0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.562 16.594 -0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.229 18.882 2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.219 17.117 2.331 1.00 0.00 H new ATOM 741 N LEU A 51 -10.994 13.984 0.805 1.00 0.00 N ATOM 742 CA LEU A 51 -11.850 13.049 0.082 1.00 0.00 C ATOM 743 C LEU A 51 -13.267 13.060 0.647 1.00 0.00 C ATOM 744 O LEU A 51 -13.469 13.296 1.837 1.00 0.00 O ATOM 745 CB LEU A 51 -11.270 11.635 0.154 1.00 0.00 C ATOM 746 CG LEU A 51 -9.998 11.389 -0.658 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.291 10.133 -0.175 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.325 11.283 -2.141 1.00 0.00 C ATOM 0 H LEU A 51 -10.137 13.572 1.174 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.892 13.364 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.061 11.402 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.033 10.933 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.328 12.236 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.388 9.974 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.023 10.247 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.954 9.276 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.408 11.108 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.014 10.454 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.787 12.211 -2.479 1.00 0.00 H new ATOM 760 N ASN A 52 -14.244 12.799 -0.216 1.00 0.00 N ATOM 761 CA ASN A 52 -15.643 12.777 0.198 1.00 0.00 C ATOM 762 C ASN A 52 -16.065 11.371 0.613 1.00 0.00 C ATOM 763 O ASN A 52 -15.309 10.412 0.453 1.00 0.00 O ATOM 764 CB ASN A 52 -16.539 13.277 -0.936 1.00 0.00 C ATOM 765 CG ASN A 52 -16.419 14.773 -1.152 1.00 0.00 C ATOM 766 OD1 ASN A 52 -16.386 15.549 -0.196 1.00 0.00 O ATOM 767 ND2 ASN A 52 -16.353 15.186 -2.412 1.00 0.00 N ATOM 0 H ASN A 52 -14.093 12.600 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.753 13.438 1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.277 12.758 -1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.576 13.027 -0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.271 16.181 -2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.384 14.508 -3.173 1.00 0.00 H new ATOM 774 N ASP A 53 -17.276 11.256 1.146 1.00 0.00 N ATOM 775 CA ASP A 53 -17.800 9.968 1.583 1.00 0.00 C ATOM 776 C ASP A 53 -17.940 9.010 0.404 1.00 0.00 C ATOM 777 O ASP A 53 -17.866 7.792 0.568 1.00 0.00 O ATOM 778 CB ASP A 53 -19.154 10.150 2.271 1.00 0.00 C ATOM 779 CG ASP A 53 -19.020 10.712 3.673 1.00 0.00 C ATOM 780 OD1 ASP A 53 -19.021 11.952 3.818 1.00 0.00 O ATOM 781 OD2 ASP A 53 -18.915 9.911 4.625 1.00 0.00 O ATOM 0 H ASP A 53 -17.914 12.040 1.286 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.094 9.540 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.775 10.817 1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.668 9.190 2.315 1.00 0.00 H new ATOM 786 N SER A 54 -18.144 9.569 -0.785 1.00 0.00 N ATOM 787 CA SER A 54 -18.299 8.764 -1.991 1.00 0.00 C ATOM 788 C SER A 54 -16.939 8.399 -2.579 1.00 0.00 C ATOM 789 O SER A 54 -16.831 7.489 -3.400 1.00 0.00 O ATOM 790 CB SER A 54 -19.130 9.520 -3.030 1.00 0.00 C ATOM 791 OG SER A 54 -19.710 8.627 -3.966 1.00 0.00 O ATOM 0 H SER A 54 -18.206 10.575 -0.939 1.00 0.00 H new ATOM 0 HA SER A 54 -18.817 7.844 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.915 10.088 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.499 10.240 -3.552 1.00 0.00 H new ATOM 0 HG SER A 54 -20.237 9.134 -4.618 1.00 0.00 H new ATOM 797 N GLU A 55 -15.905 9.117 -2.152 1.00 0.00 N ATOM 798 CA GLU A 55 -14.552 8.869 -2.637 1.00 0.00 C ATOM 799 C GLU A 55 -13.878 7.764 -1.829 1.00 0.00 C ATOM 800 O GLU A 55 -13.088 6.984 -2.360 1.00 0.00 O ATOM 801 CB GLU A 55 -13.718 10.150 -2.565 1.00 0.00 C ATOM 802 CG GLU A 55 -14.180 11.232 -3.527 1.00 0.00 C ATOM 803 CD GLU A 55 -14.002 10.836 -4.980 1.00 0.00 C ATOM 804 OE1 GLU A 55 -12.842 10.713 -5.424 1.00 0.00 O ATOM 805 OE2 GLU A 55 -15.025 10.648 -5.672 1.00 0.00 O ATOM 0 H GLU A 55 -15.978 9.874 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.620 8.546 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.754 10.540 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.677 9.908 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.231 11.454 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.622 12.148 -3.333 1.00 0.00 H new ATOM 812 N LYS A 56 -14.196 7.704 -0.540 1.00 0.00 N ATOM 813 CA LYS A 56 -13.624 6.696 0.344 1.00 0.00 C ATOM 814 C LYS A 56 -14.388 5.380 0.234 1.00 0.00 C ATOM 815 O LYS A 56 -13.869 4.321 0.586 1.00 0.00 O ATOM 816 CB LYS A 56 -13.640 7.189 1.792 1.00 0.00 C ATOM 817 CG LYS A 56 -13.058 8.580 1.968 1.00 0.00 C ATOM 818 CD LYS A 56 -13.353 9.138 3.350 1.00 0.00 C ATOM 819 CE LYS A 56 -12.782 10.537 3.520 1.00 0.00 C ATOM 820 NZ LYS A 56 -13.438 11.272 4.637 1.00 0.00 N ATOM 0 H LYS A 56 -14.848 8.343 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.592 6.523 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.667 7.185 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.079 6.489 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.980 8.547 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.470 9.246 1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.431 9.162 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.932 8.477 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.710 10.471 3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.909 11.096 2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.021 12.221 4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.457 11.357 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.295 10.752 5.526 1.00 0.00 H new ATOM 834 N GLN A 57 -15.620 5.455 -0.257 1.00 0.00 N ATOM 835 CA GLN A 57 -16.454 4.269 -0.412 1.00 0.00 C ATOM 836 C GLN A 57 -15.642 3.102 -0.965 1.00 0.00 C ATOM 837 O GLN A 57 -15.542 2.039 -0.352 1.00 0.00 O ATOM 838 CB GLN A 57 -17.635 4.568 -1.338 1.00 0.00 C ATOM 839 CG GLN A 57 -18.890 5.005 -0.600 1.00 0.00 C ATOM 840 CD GLN A 57 -19.550 3.867 0.154 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.269 3.055 -0.428 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.307 3.801 1.458 1.00 0.00 N ATOM 0 H GLN A 57 -16.063 6.324 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.834 3.991 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.346 5.349 -2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.860 3.678 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.637 5.801 0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.600 5.423 -1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.705 4.495 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.723 3.056 2.017 1.00 0.00 H new ATOM 851 N PRO A 58 -15.049 3.302 -2.151 1.00 0.00 N ATOM 852 CA PRO A 58 -14.235 2.278 -2.812 1.00 0.00 C ATOM 853 C PRO A 58 -12.919 2.025 -2.086 1.00 0.00 C ATOM 854 O PRO A 58 -12.209 1.064 -2.383 1.00 0.00 O ATOM 855 CB PRO A 58 -13.976 2.871 -4.199 1.00 0.00 C ATOM 856 CG PRO A 58 -14.089 4.345 -4.008 1.00 0.00 C ATOM 857 CD PRO A 58 -15.126 4.545 -2.938 1.00 0.00 C ATOM 0 HA PRO A 58 -14.737 1.311 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.989 2.594 -4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.703 2.509 -4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.133 4.774 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.384 4.837 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.909 5.421 -2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.119 4.691 -3.363 1.00 0.00 H new ATOM 865 N TYR A 59 -12.599 2.893 -1.132 1.00 0.00 N ATOM 866 CA TYR A 59 -11.366 2.764 -0.365 1.00 0.00 C ATOM 867 C TYR A 59 -11.615 2.026 0.947 1.00 0.00 C ATOM 868 O TYR A 59 -10.703 1.429 1.519 1.00 0.00 O ATOM 869 CB TYR A 59 -10.771 4.144 -0.081 1.00 0.00 C ATOM 870 CG TYR A 59 -10.000 4.723 -1.246 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.923 4.041 -1.799 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.349 5.951 -1.794 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.215 4.567 -2.862 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.648 6.483 -2.859 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.582 5.787 -3.389 1.00 0.00 C ATOM 876 OH TYR A 59 -7.880 6.313 -4.450 1.00 0.00 O ATOM 0 H TYR A 59 -13.176 3.693 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.658 2.185 -0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.575 4.829 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.110 4.074 0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.635 3.084 -1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.183 6.499 -1.380 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.378 4.025 -3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.933 7.438 -3.274 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.267 7.177 -4.702 1.00 0.00 H new ATOM 886 N ILE A 60 -12.857 2.071 1.416 1.00 0.00 N ATOM 887 CA ILE A 60 -13.228 1.405 2.659 1.00 0.00 C ATOM 888 C ILE A 60 -13.710 -0.018 2.398 1.00 0.00 C ATOM 889 O ILE A 60 -13.325 -0.955 3.099 1.00 0.00 O ATOM 890 CB ILE A 60 -14.331 2.179 3.405 1.00 0.00 C ATOM 891 CG1 ILE A 60 -13.892 3.624 3.652 1.00 0.00 C ATOM 892 CG2 ILE A 60 -14.667 1.489 4.719 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.035 4.552 4.000 1.00 0.00 C ATOM 0 H ILE A 60 -13.623 2.561 0.955 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.333 1.375 3.280 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.228 2.192 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.162 3.640 4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.388 3.999 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.448 2.048 5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.017 0.476 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.777 1.448 5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.650 5.559 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.755 4.566 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.525 4.201 4.908 1.00 0.00 H new ATOM 905 N THR A 61 -14.554 -0.175 1.383 1.00 0.00 N ATOM 906 CA THR A 61 -15.088 -1.483 1.028 1.00 0.00 C ATOM 907 C THR A 61 -13.967 -2.476 0.743 1.00 0.00 C ATOM 908 O THR A 61 -14.092 -3.668 1.024 1.00 0.00 O ATOM 909 CB THR A 61 -16.009 -1.399 -0.205 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.782 -0.195 -0.157 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.937 -2.602 -0.269 1.00 0.00 C ATOM 0 H THR A 61 -14.882 0.589 0.792 1.00 0.00 H new ATOM 0 HA THR A 61 -15.668 -1.829 1.883 1.00 0.00 H new ATOM 0 HB THR A 61 -15.385 -1.394 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.266 0.541 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.578 -2.521 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.345 -3.515 -0.334 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.554 -2.633 0.629 1.00 0.00 H new ATOM 919 N LYS A 62 -12.869 -1.977 0.184 1.00 0.00 N ATOM 920 CA LYS A 62 -11.723 -2.820 -0.138 1.00 0.00 C ATOM 921 C LYS A 62 -11.033 -3.306 1.132 1.00 0.00 C ATOM 922 O LYS A 62 -10.600 -4.456 1.213 1.00 0.00 O ATOM 923 CB LYS A 62 -10.728 -2.051 -1.010 1.00 0.00 C ATOM 924 CG LYS A 62 -9.829 -2.949 -1.842 1.00 0.00 C ATOM 925 CD LYS A 62 -8.576 -3.345 -1.079 1.00 0.00 C ATOM 926 CE LYS A 62 -7.836 -4.479 -1.772 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.379 -4.459 -1.466 1.00 0.00 N ATOM 0 H LYS A 62 -12.749 -0.993 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.084 -3.688 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.279 -1.386 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.108 -1.422 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.377 -3.845 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.549 -2.434 -2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.917 -2.482 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.846 -3.650 -0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.260 -5.433 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.982 -4.403 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.910 -5.247 -1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.969 -3.559 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.238 -4.557 -0.440 1.00 0.00 H new ATOM 941 N ALA A 63 -10.934 -2.425 2.121 1.00 0.00 N ATOM 942 CA ALA A 63 -10.299 -2.766 3.388 1.00 0.00 C ATOM 943 C ALA A 63 -11.147 -3.758 4.178 1.00 0.00 C ATOM 944 O ALA A 63 -10.660 -4.407 5.103 1.00 0.00 O ATOM 945 CB ALA A 63 -10.050 -1.510 4.210 1.00 0.00 C ATOM 0 H ALA A 63 -11.286 -1.469 2.070 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.342 -3.239 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.575 -1.781 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.397 -0.836 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.999 -1.013 4.411 1.00 0.00 H new ATOM 951 N ALA A 64 -12.419 -3.868 3.807 1.00 0.00 N ATOM 952 CA ALA A 64 -13.334 -4.781 4.480 1.00 0.00 C ATOM 953 C ALA A 64 -12.947 -6.234 4.225 1.00 0.00 C ATOM 954 O ALA A 64 -12.894 -7.045 5.150 1.00 0.00 O ATOM 955 CB ALA A 64 -14.764 -4.526 4.025 1.00 0.00 C ATOM 0 H ALA A 64 -12.838 -3.336 3.044 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.267 -4.598 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.437 -5.215 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.045 -3.500 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.836 -4.680 2.948 1.00 0.00 H new