USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.181 K(o=-0.18,f=-0.88) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= -2.73 (180deg=-3.43!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 59:sc= -0.787 USER MOD Single : A 29 ASN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 29:sc= 1.11 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.878 K(o=0.88,f=-0.058) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0379 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 66 THR OG1 : rot -13:sc= 1.81 USER MOD Single : A 67 ASN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 72 THR OG1 : rot 170:sc= -0.0366 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= -0.0436 (180deg=-0.516) USER MOD Single : A 79 CYS SG : rot 15:sc= 0.202 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.3!) USER MOD Single : A 82 SER OG : rot 160:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 41:sc= 0.846 USER MOD Single : A 87 ASN : amide:sc= -0.575 X(o=-0.57,f=-0.091) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.57 K(o=-3.6,f=-6.1) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -9.525 -10.013 -2.304 1.00 0.00 N ATOM 155 CA LEU A 11 -8.276 -9.832 -1.568 1.00 0.00 C ATOM 156 C LEU A 11 -8.479 -10.124 -0.081 1.00 0.00 C ATOM 157 O LEU A 11 -8.264 -11.251 0.363 1.00 0.00 O ATOM 158 CB LEU A 11 -7.722 -8.416 -1.781 1.00 0.00 C ATOM 159 CG LEU A 11 -6.459 -8.344 -2.643 1.00 0.00 C ATOM 160 CD1 LEU A 11 -6.785 -8.656 -4.096 1.00 0.00 C ATOM 161 CD2 LEU A 11 -5.807 -6.974 -2.518 1.00 0.00 C ATOM 0 HA LEU A 11 -7.544 -10.541 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.496 -7.804 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.506 -7.975 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.753 -9.093 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.875 -8.600 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.205 -9.659 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.509 -7.932 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.911 -6.940 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.506 -6.207 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.537 -6.793 -1.478 1.00 0.00 H new ATOM 173 N SER A 12 -8.906 -9.109 0.678 1.00 0.00 N ATOM 174 CA SER A 12 -9.151 -9.258 2.115 1.00 0.00 C ATOM 175 C SER A 12 -8.010 -10.004 2.814 1.00 0.00 C ATOM 176 O SER A 12 -8.067 -11.223 2.993 1.00 0.00 O ATOM 177 CB SER A 12 -10.480 -9.983 2.345 1.00 0.00 C ATOM 178 OG SER A 12 -10.617 -10.401 3.693 1.00 0.00 O ATOM 0 H SER A 12 -9.089 -8.172 0.318 1.00 0.00 H new ATOM 0 HA SER A 12 -9.202 -8.260 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.306 -9.323 2.082 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.542 -10.849 1.686 1.00 0.00 H new ATOM 0 HG SER A 12 -11.476 -10.859 3.808 1.00 0.00 H new ATOM 184 N ASN A 13 -6.977 -9.262 3.215 1.00 0.00 N ATOM 185 CA ASN A 13 -5.829 -9.852 3.902 1.00 0.00 C ATOM 186 C ASN A 13 -5.286 -8.903 4.973 1.00 0.00 C ATOM 187 O ASN A 13 -5.569 -9.071 6.159 1.00 0.00 O ATOM 188 CB ASN A 13 -4.727 -10.214 2.897 1.00 0.00 C ATOM 189 CG ASN A 13 -5.068 -11.449 2.081 1.00 0.00 C ATOM 190 OD1 ASN A 13 -5.106 -12.560 2.607 1.00 0.00 O ATOM 191 ND2 ASN A 13 -5.319 -11.262 0.790 1.00 0.00 N ATOM 0 H ASN A 13 -6.912 -8.254 3.076 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.163 -10.765 4.395 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.562 -9.372 2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.792 -10.382 3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.554 -12.057 0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.277 -10.323 0.393 1.00 0.00 H new ATOM 198 N MET A 14 -4.510 -7.903 4.546 1.00 0.00 N ATOM 199 CA MET A 14 -3.933 -6.924 5.466 1.00 0.00 C ATOM 200 C MET A 14 -3.191 -5.830 4.701 1.00 0.00 C ATOM 201 O MET A 14 -2.393 -6.120 3.809 1.00 0.00 O ATOM 202 CB MET A 14 -2.979 -7.608 6.452 1.00 0.00 C ATOM 203 CG MET A 14 -3.074 -7.058 7.868 1.00 0.00 C ATOM 204 SD MET A 14 -3.432 -8.334 9.092 1.00 0.00 S ATOM 205 CE MET A 14 -5.003 -7.759 9.735 1.00 0.00 C ATOM 0 H MET A 14 -4.268 -7.752 3.567 1.00 0.00 H new ATOM 0 HA MET A 14 -4.750 -6.466 6.024 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.193 -8.677 6.471 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.956 -7.494 6.094 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.136 -6.567 8.126 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.853 -6.296 7.905 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.355 -8.447 10.504 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.878 -6.766 10.166 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.733 -7.715 8.927 1.00 0.00 H new ATOM 215 N LYS A 15 -3.458 -4.575 5.056 1.00 0.00 N ATOM 216 CA LYS A 15 -2.819 -3.437 4.406 1.00 0.00 C ATOM 217 C LYS A 15 -2.594 -2.302 5.403 1.00 0.00 C ATOM 218 O LYS A 15 -3.312 -2.187 6.397 1.00 0.00 O ATOM 219 CB LYS A 15 -3.672 -2.948 3.234 1.00 0.00 C ATOM 220 CG LYS A 15 -2.918 -2.043 2.271 1.00 0.00 C ATOM 221 CD LYS A 15 -3.610 -1.959 0.921 1.00 0.00 C ATOM 222 CE LYS A 15 -3.618 -3.303 0.212 1.00 0.00 C ATOM 223 NZ LYS A 15 -3.188 -3.187 -1.209 1.00 0.00 N ATOM 0 H LYS A 15 -4.116 -4.322 5.793 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.850 -3.759 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.053 -3.811 2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.537 -2.411 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.834 -1.044 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.904 -2.419 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.635 -1.613 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.105 -1.221 0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.956 -3.993 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.620 -3.729 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.460 -4.048 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.648 -2.362 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.155 -3.070 -1.251 1.00 0.00 H new ATOM 237 N PHE A 16 -1.593 -1.472 5.135 1.00 0.00 N ATOM 238 CA PHE A 16 -1.266 -0.351 6.009 1.00 0.00 C ATOM 239 C PHE A 16 -0.496 0.716 5.236 1.00 0.00 C ATOM 240 O PHE A 16 0.470 0.403 4.545 1.00 0.00 O ATOM 241 CB PHE A 16 -0.456 -0.853 7.207 1.00 0.00 C ATOM 242 CG PHE A 16 -0.007 0.225 8.158 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.902 1.173 8.629 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.309 0.280 8.586 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.491 2.156 9.508 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.725 1.261 9.466 1.00 0.00 C ATOM 247 CZ PHE A 16 0.824 2.200 9.927 1.00 0.00 C ATOM 0 H PHE A 16 -0.991 -1.555 4.316 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.187 0.101 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.057 -1.577 7.757 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.422 -1.383 6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.932 1.143 8.305 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.018 -0.452 8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.198 2.890 9.867 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.754 1.293 9.793 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.147 2.968 10.614 1.00 0.00 H new ATOM 257 N TYR A 17 -0.938 1.968 5.335 1.00 0.00 N ATOM 258 CA TYR A 17 -0.286 3.062 4.618 1.00 0.00 C ATOM 259 C TYR A 17 0.191 4.156 5.577 1.00 0.00 C ATOM 260 O TYR A 17 -0.617 4.836 6.211 1.00 0.00 O ATOM 261 CB TYR A 17 -1.245 3.645 3.574 1.00 0.00 C ATOM 262 CG TYR A 17 -1.102 3.025 2.198 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.221 1.653 2.013 1.00 0.00 C ATOM 264 CD2 TYR A 17 -0.844 3.815 1.087 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.087 1.086 0.759 1.00 0.00 C ATOM 266 CE2 TYR A 17 -0.710 3.257 -0.172 1.00 0.00 C ATOM 267 CZ TYR A 17 -0.830 1.893 -0.330 1.00 0.00 C ATOM 268 OH TYR A 17 -0.695 1.335 -1.580 1.00 0.00 O ATOM 0 H TYR A 17 -1.739 2.249 5.900 1.00 0.00 H new ATOM 0 HA TYR A 17 0.593 2.661 4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.270 3.508 3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.075 4.719 3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.422 1.018 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.746 4.884 1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.183 0.018 0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.512 3.887 -1.027 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.517 2.041 -2.236 1.00 0.00 H new ATOM 278 N LEU A 18 1.510 4.317 5.673 1.00 0.00 N ATOM 279 CA LEU A 18 2.110 5.324 6.546 1.00 0.00 C ATOM 280 C LEU A 18 3.525 5.660 6.077 1.00 0.00 C ATOM 281 O LEU A 18 4.500 5.084 6.558 1.00 0.00 O ATOM 282 CB LEU A 18 2.137 4.821 7.996 1.00 0.00 C ATOM 283 CG LEU A 18 1.571 5.789 9.041 1.00 0.00 C ATOM 284 CD1 LEU A 18 0.054 5.858 8.946 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.999 5.367 10.441 1.00 0.00 C ATOM 0 H LEU A 18 2.187 3.759 5.153 1.00 0.00 H new ATOM 0 HA LEU A 18 1.504 6.229 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.576 3.888 8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.168 4.589 8.262 1.00 0.00 H new ATOM 0 HG LEU A 18 1.970 6.783 8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.326 6.551 9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.233 6.205 7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.367 4.868 9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.589 6.064 11.172 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.627 4.364 10.648 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.087 5.371 10.506 1.00 0.00 H new ATOM 297 N ASN A 19 3.632 6.585 5.124 1.00 0.00 N ATOM 298 CA ASN A 19 4.933 6.981 4.585 1.00 0.00 C ATOM 299 C ASN A 19 5.832 7.561 5.677 1.00 0.00 C ATOM 300 O ASN A 19 5.356 8.212 6.608 1.00 0.00 O ATOM 301 CB ASN A 19 4.755 7.992 3.449 1.00 0.00 C ATOM 302 CG ASN A 19 5.109 7.406 2.093 1.00 0.00 C ATOM 303 OD1 ASN A 19 6.096 7.800 1.476 1.00 0.00 O ATOM 304 ND2 ASN A 19 4.300 6.461 1.622 1.00 0.00 N ATOM 0 H ASN A 19 2.837 7.073 4.710 1.00 0.00 H new ATOM 0 HA ASN A 19 5.418 6.088 4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.722 8.339 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.381 8.863 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.489 6.034 0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.491 6.164 2.168 1.00 0.00 H new ATOM 311 N ARG A 20 7.138 7.309 5.556 1.00 0.00 N ATOM 312 CA ARG A 20 8.117 7.795 6.529 1.00 0.00 C ATOM 313 C ARG A 20 8.382 9.294 6.345 1.00 0.00 C ATOM 314 O ARG A 20 7.837 9.923 5.435 1.00 0.00 O ATOM 315 CB ARG A 20 9.426 7.009 6.397 1.00 0.00 C ATOM 316 CG ARG A 20 10.022 6.586 7.729 1.00 0.00 C ATOM 317 CD ARG A 20 11.519 6.336 7.612 1.00 0.00 C ATOM 318 NE ARG A 20 11.942 5.150 8.356 1.00 0.00 N ATOM 319 CZ ARG A 20 11.645 3.896 8.001 1.00 0.00 C ATOM 320 NH1 ARG A 20 10.904 3.657 6.921 1.00 0.00 N ATOM 321 NH2 ARG A 20 12.091 2.878 8.730 1.00 0.00 N ATOM 0 H ARG A 20 7.542 6.769 4.791 1.00 0.00 H new ATOM 0 HA ARG A 20 7.707 7.643 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.247 6.121 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.153 7.619 5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.838 7.360 8.474 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.527 5.681 8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.785 6.217 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.061 7.207 7.981 1.00 0.00 H new ATOM 0 HE ARG A 20 12.499 5.289 9.199 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.558 4.434 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.682 2.697 6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.659 3.054 9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.865 1.920 8.461 1.00 0.00 H new ATOM 397 N ASP A 26 6.164 9.869 -4.201 1.00 0.00 N ATOM 398 CA ASP A 26 5.698 8.824 -5.107 1.00 0.00 C ATOM 399 C ASP A 26 4.181 8.656 -5.017 1.00 0.00 C ATOM 400 O ASP A 26 3.528 8.320 -6.007 1.00 0.00 O ATOM 401 CB ASP A 26 6.389 7.496 -4.791 1.00 0.00 C ATOM 402 CG ASP A 26 6.449 6.571 -5.991 1.00 0.00 C ATOM 403 OD1 ASP A 26 7.206 6.873 -6.939 1.00 0.00 O ATOM 404 OD2 ASP A 26 5.737 5.543 -5.985 1.00 0.00 O ATOM 0 HA ASP A 26 5.952 9.124 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.401 7.692 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.858 6.998 -3.979 1.00 0.00 H new ATOM 409 N SER A 27 3.627 8.886 -3.824 1.00 0.00 N ATOM 410 CA SER A 27 2.186 8.755 -3.604 1.00 0.00 C ATOM 411 C SER A 27 1.807 9.151 -2.179 1.00 0.00 C ATOM 412 O SER A 27 2.481 8.769 -1.220 1.00 0.00 O ATOM 413 CB SER A 27 1.737 7.315 -3.875 1.00 0.00 C ATOM 414 OG SER A 27 0.895 7.247 -5.012 1.00 0.00 O ATOM 0 H SER A 27 4.155 9.164 -2.996 1.00 0.00 H new ATOM 0 HA SER A 27 1.680 9.429 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.611 6.681 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.209 6.926 -3.004 1.00 0.00 H new ATOM 0 HG SER A 27 1.373 7.592 -5.795 1.00 0.00 H new ATOM 420 N LEU A 28 0.722 9.919 -2.045 1.00 0.00 N ATOM 421 CA LEU A 28 0.256 10.368 -0.732 1.00 0.00 C ATOM 422 C LEU A 28 -1.269 10.484 -0.694 1.00 0.00 C ATOM 423 O LEU A 28 -1.939 9.723 0.006 1.00 0.00 O ATOM 424 CB LEU A 28 0.893 11.713 -0.372 1.00 0.00 C ATOM 425 CG LEU A 28 2.374 11.647 0.009 1.00 0.00 C ATOM 426 CD1 LEU A 28 3.252 11.871 -1.214 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.693 12.669 1.090 1.00 0.00 C ATOM 0 H LEU A 28 0.152 10.241 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 28 0.559 9.622 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.781 12.389 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.339 12.149 0.459 1.00 0.00 H new ATOM 0 HG LEU A 28 2.583 10.653 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.301 11.820 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.044 11.101 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.040 12.852 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.750 12.608 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.467 13.670 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.091 12.463 1.975 1.00 0.00 H new ATOM 439 N ASN A 29 -1.810 11.441 -1.446 1.00 0.00 N ATOM 440 CA ASN A 29 -3.256 11.655 -1.498 1.00 0.00 C ATOM 441 C ASN A 29 -3.900 10.809 -2.599 1.00 0.00 C ATOM 442 O ASN A 29 -5.004 10.294 -2.430 1.00 0.00 O ATOM 443 CB ASN A 29 -3.569 13.138 -1.724 1.00 0.00 C ATOM 444 CG ASN A 29 -5.034 13.464 -1.494 1.00 0.00 C ATOM 445 OD1 ASN A 29 -5.781 13.711 -2.440 1.00 0.00 O ATOM 446 ND2 ASN A 29 -5.453 13.470 -0.233 1.00 0.00 N ATOM 0 H ASN A 29 -1.269 12.081 -2.028 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.675 11.345 -0.540 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.956 13.742 -1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.294 13.413 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.427 13.685 -0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.801 13.259 0.522 1.00 0.00 H new ATOM 453 N ASP A 30 -3.201 10.679 -3.731 1.00 0.00 N ATOM 454 CA ASP A 30 -3.701 9.903 -4.868 1.00 0.00 C ATOM 455 C ASP A 30 -4.024 8.462 -4.466 1.00 0.00 C ATOM 456 O ASP A 30 -5.003 7.883 -4.941 1.00 0.00 O ATOM 457 CB ASP A 30 -2.671 9.902 -6.003 1.00 0.00 C ATOM 458 CG ASP A 30 -2.663 11.197 -6.797 1.00 0.00 C ATOM 459 OD1 ASP A 30 -2.758 12.279 -6.178 1.00 0.00 O ATOM 460 OD2 ASP A 30 -2.557 11.128 -8.039 1.00 0.00 O ATOM 0 H ASP A 30 -2.286 11.102 -3.883 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.621 10.376 -5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.679 9.732 -5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.881 9.071 -6.676 1.00 0.00 H new ATOM 465 N ILE A 31 -3.201 7.892 -3.585 1.00 0.00 N ATOM 466 CA ILE A 31 -3.407 6.519 -3.117 1.00 0.00 C ATOM 467 C ILE A 31 -4.715 6.387 -2.345 1.00 0.00 C ATOM 468 O ILE A 31 -5.352 5.340 -2.378 1.00 0.00 O ATOM 469 CB ILE A 31 -2.248 6.027 -2.226 1.00 0.00 C ATOM 470 CG1 ILE A 31 -1.976 7.025 -1.093 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.007 5.800 -3.070 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.656 6.807 -0.384 1.00 0.00 C ATOM 0 H ILE A 31 -2.388 8.357 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.447 5.897 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.530 5.078 -1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.995 8.036 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.783 6.960 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.193 5.453 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.217 5.050 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.718 6.734 -3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.538 7.552 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.639 5.810 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.161 6.902 -1.099 1.00 0.00 H new ATOM 484 N ASP A 32 -5.115 7.458 -1.662 1.00 0.00 N ATOM 485 CA ASP A 32 -6.357 7.458 -0.894 1.00 0.00 C ATOM 486 C ASP A 32 -7.545 7.107 -1.789 1.00 0.00 C ATOM 487 O ASP A 32 -8.526 6.517 -1.333 1.00 0.00 O ATOM 488 CB ASP A 32 -6.578 8.828 -0.245 1.00 0.00 C ATOM 489 CG ASP A 32 -7.647 8.795 0.825 1.00 0.00 C ATOM 490 OD1 ASP A 32 -7.310 8.510 1.993 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.824 9.053 0.495 1.00 0.00 O ATOM 0 H ASP A 32 -4.597 8.336 -1.625 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.276 6.703 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.642 9.175 0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.858 9.549 -1.013 1.00 0.00 H new ATOM 496 N GLN A 33 -7.448 7.474 -3.066 1.00 0.00 N ATOM 497 CA GLN A 33 -8.508 7.201 -4.029 1.00 0.00 C ATOM 498 C GLN A 33 -8.402 5.782 -4.588 1.00 0.00 C ATOM 499 O GLN A 33 -9.389 5.046 -4.609 1.00 0.00 O ATOM 500 CB GLN A 33 -8.464 8.226 -5.163 1.00 0.00 C ATOM 501 CG GLN A 33 -9.632 8.119 -6.130 1.00 0.00 C ATOM 502 CD GLN A 33 -9.315 8.705 -7.491 1.00 0.00 C ATOM 503 OE1 GLN A 33 -9.408 9.914 -7.697 1.00 0.00 O ATOM 504 NE2 GLN A 33 -8.935 7.847 -8.432 1.00 0.00 N ATOM 0 H GLN A 33 -6.642 7.963 -3.456 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.464 7.283 -3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.449 9.228 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.533 8.102 -5.717 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.909 7.071 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.496 8.633 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.871 6.852 -8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.707 8.184 -9.367 1.00 0.00 H new ATOM 513 N LEU A 34 -7.205 5.400 -5.033 1.00 0.00 N ATOM 514 CA LEU A 34 -6.990 4.059 -5.581 1.00 0.00 C ATOM 515 C LEU A 34 -7.076 2.998 -4.483 1.00 0.00 C ATOM 516 O LEU A 34 -7.352 1.828 -4.761 1.00 0.00 O ATOM 517 CB LEU A 34 -5.638 3.976 -6.298 1.00 0.00 C ATOM 518 CG LEU A 34 -4.408 3.870 -5.387 1.00 0.00 C ATOM 519 CD1 LEU A 34 -4.079 2.414 -5.090 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.216 4.565 -6.028 1.00 0.00 C ATOM 0 H LEU A 34 -6.375 5.993 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.779 3.864 -6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.652 3.111 -6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.526 4.859 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.636 4.366 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.204 2.364 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.927 1.944 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.871 1.890 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.350 4.482 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.992 4.094 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.451 5.617 -6.188 1.00 0.00 H new ATOM 532 N ALA A 35 -6.845 3.415 -3.238 1.00 0.00 N ATOM 533 CA ALA A 35 -6.905 2.506 -2.097 1.00 0.00 C ATOM 534 C ALA A 35 -8.334 2.373 -1.576 1.00 0.00 C ATOM 535 O ALA A 35 -8.667 1.388 -0.916 1.00 0.00 O ATOM 536 CB ALA A 35 -5.976 2.972 -0.989 1.00 0.00 C ATOM 0 H ALA A 35 -6.614 4.379 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.575 1.524 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.036 2.280 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.952 3.002 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.272 3.968 -0.661 1.00 0.00 H new ATOM 542 N ARG A 36 -9.184 3.357 -1.892 1.00 0.00 N ATOM 543 CA ARG A 36 -10.584 3.326 -1.471 1.00 0.00 C ATOM 544 C ARG A 36 -11.241 2.032 -1.952 1.00 0.00 C ATOM 545 O ARG A 36 -12.075 1.449 -1.256 1.00 0.00 O ATOM 546 CB ARG A 36 -11.331 4.543 -2.028 1.00 0.00 C ATOM 547 CG ARG A 36 -12.789 4.624 -1.596 1.00 0.00 C ATOM 548 CD ARG A 36 -13.694 5.020 -2.753 1.00 0.00 C ATOM 549 NE ARG A 36 -14.022 6.444 -2.733 1.00 0.00 N ATOM 550 CZ ARG A 36 -14.937 6.992 -1.926 1.00 0.00 C ATOM 551 NH1 ARG A 36 -15.606 6.239 -1.056 1.00 0.00 N ATOM 552 NH2 ARG A 36 -15.177 8.297 -1.988 1.00 0.00 N ATOM 0 H ARG A 36 -8.925 4.180 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.629 3.361 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.817 5.450 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.286 4.517 -3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.106 3.660 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.890 5.350 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.205 4.775 -3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.613 4.436 -2.710 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.522 7.059 -3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.422 5.237 -1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.302 6.664 -0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.664 8.879 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.874 8.717 -1.374 1.00 0.00 H new ATOM 566 N LEU A 37 -10.840 1.585 -3.141 1.00 0.00 N ATOM 567 CA LEU A 37 -11.363 0.354 -3.725 1.00 0.00 C ATOM 568 C LEU A 37 -10.759 -0.869 -3.031 1.00 0.00 C ATOM 569 O LEU A 37 -11.438 -1.878 -2.833 1.00 0.00 O ATOM 570 CB LEU A 37 -11.053 0.312 -5.223 1.00 0.00 C ATOM 571 CG LEU A 37 -12.176 0.814 -6.136 1.00 0.00 C ATOM 572 CD1 LEU A 37 -12.220 2.336 -6.144 1.00 0.00 C ATOM 573 CD2 LEU A 37 -11.998 0.272 -7.550 1.00 0.00 C ATOM 0 H LEU A 37 -10.150 2.062 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.444 0.335 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.160 0.909 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.813 -0.715 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.126 0.448 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.024 2.673 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.398 2.700 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.269 2.726 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.805 0.639 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.041 0.607 -7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.021 -0.818 -7.528 1.00 0.00 H new ATOM 585 N ILE A 38 -9.481 -0.768 -2.658 1.00 0.00 N ATOM 586 CA ILE A 38 -8.787 -1.863 -1.978 1.00 0.00 C ATOM 587 C ILE A 38 -9.277 -2.015 -0.538 1.00 0.00 C ATOM 588 O ILE A 38 -9.312 -3.123 0.000 1.00 0.00 O ATOM 589 CB ILE A 38 -7.255 -1.654 -1.967 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.749 -1.274 -3.363 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.550 -2.907 -1.467 1.00 0.00 C ATOM 592 CD1 ILE A 38 -6.975 -2.346 -4.410 1.00 0.00 C ATOM 0 H ILE A 38 -8.907 0.060 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.014 -2.770 -2.539 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.027 -0.834 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.246 -0.358 -3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.683 -1.055 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.473 -2.742 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.884 -3.133 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.788 -3.745 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.591 -2.003 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.455 -3.258 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.042 -2.549 -4.498 1.00 0.00 H new ATOM 604 N ARG A 39 -9.672 -0.898 0.074 1.00 0.00 N ATOM 605 CA ARG A 39 -10.181 -0.904 1.440 1.00 0.00 C ATOM 606 C ARG A 39 -11.581 -1.507 1.471 1.00 0.00 C ATOM 607 O ARG A 39 -11.999 -2.080 2.478 1.00 0.00 O ATOM 608 CB ARG A 39 -10.209 0.521 2.003 1.00 0.00 C ATOM 609 CG ARG A 39 -10.699 0.610 3.440 1.00 0.00 C ATOM 610 CD ARG A 39 -12.180 0.959 3.500 1.00 0.00 C ATOM 611 NE ARG A 39 -12.528 1.691 4.718 1.00 0.00 N ATOM 612 CZ ARG A 39 -13.643 2.413 4.863 1.00 0.00 C ATOM 613 NH1 ARG A 39 -14.521 2.508 3.868 1.00 0.00 N ATOM 614 NH2 ARG A 39 -13.881 3.042 6.008 1.00 0.00 N ATOM 0 H ARG A 39 -9.648 0.025 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.520 -1.510 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.206 0.943 1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.850 1.137 1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.527 -0.341 3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.124 1.364 3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.445 1.559 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.769 0.044 3.448 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.880 1.648 5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.346 2.027 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.369 3.061 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.213 2.974 6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.732 3.593 6.120 1.00 0.00 H new ATOM 628 N ALA A 40 -12.292 -1.385 0.348 1.00 0.00 N ATOM 629 CA ALA A 40 -13.640 -1.923 0.229 1.00 0.00 C ATOM 630 C ALA A 40 -13.626 -3.334 -0.376 1.00 0.00 C ATOM 631 O ALA A 40 -14.656 -4.012 -0.410 1.00 0.00 O ATOM 632 CB ALA A 40 -14.509 -0.993 -0.605 1.00 0.00 C ATOM 0 H ALA A 40 -11.952 -0.916 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.063 -1.995 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.514 -1.408 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.558 -0.015 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.079 -0.889 -1.601 1.00 0.00 H new ATOM 638 N ASN A 41 -12.454 -3.768 -0.850 1.00 0.00 N ATOM 639 CA ASN A 41 -12.299 -5.094 -1.452 1.00 0.00 C ATOM 640 C ASN A 41 -12.533 -6.205 -0.426 1.00 0.00 C ATOM 641 O ASN A 41 -12.965 -7.304 -0.780 1.00 0.00 O ATOM 642 CB ASN A 41 -10.887 -5.233 -2.035 1.00 0.00 C ATOM 643 CG ASN A 41 -10.815 -6.260 -3.149 1.00 0.00 C ATOM 644 OD1 ASN A 41 -11.254 -7.396 -2.987 1.00 0.00 O ATOM 645 ND2 ASN A 41 -10.256 -5.865 -4.288 1.00 0.00 N ATOM 0 H ASN A 41 -11.596 -3.217 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.044 -5.194 -2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.558 -4.266 -2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.196 -5.515 -1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.179 -6.515 -5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.904 -4.912 -4.380 1.00 0.00 H new ATOM 652 N GLY A 42 -12.240 -5.913 0.840 1.00 0.00 N ATOM 653 CA GLY A 42 -12.414 -6.897 1.895 1.00 0.00 C ATOM 654 C GLY A 42 -11.377 -6.764 2.999 1.00 0.00 C ATOM 655 O GLY A 42 -11.627 -7.153 4.140 1.00 0.00 O ATOM 0 H GLY A 42 -11.884 -5.010 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.411 -6.791 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.356 -7.897 1.466 1.00 0.00 H new ATOM 659 N GLY A 43 -10.207 -6.214 2.659 1.00 0.00 N ATOM 660 CA GLY A 43 -9.148 -6.044 3.640 1.00 0.00 C ATOM 661 C GLY A 43 -9.295 -4.760 4.439 1.00 0.00 C ATOM 662 O GLY A 43 -10.403 -4.395 4.834 1.00 0.00 O ATOM 0 H GLY A 43 -9.977 -5.885 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.149 -6.894 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.184 -6.044 3.132 1.00 0.00 H new ATOM 666 N GLU A 44 -8.175 -4.072 4.683 1.00 0.00 N ATOM 667 CA GLU A 44 -8.198 -2.828 5.447 1.00 0.00 C ATOM 668 C GLU A 44 -6.929 -2.012 5.207 1.00 0.00 C ATOM 669 O GLU A 44 -5.820 -2.492 5.442 1.00 0.00 O ATOM 670 CB GLU A 44 -8.349 -3.131 6.942 1.00 0.00 C ATOM 671 CG GLU A 44 -8.431 -1.888 7.814 1.00 0.00 C ATOM 672 CD GLU A 44 -7.984 -2.147 9.240 1.00 0.00 C ATOM 673 OE1 GLU A 44 -6.800 -2.498 9.437 1.00 0.00 O ATOM 674 OE2 GLU A 44 -8.817 -2.000 10.158 1.00 0.00 O ATOM 0 H GLU A 44 -7.249 -4.356 4.364 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.052 -2.240 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.247 -3.730 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.504 -3.737 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.812 -1.102 7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.457 -1.519 7.820 1.00 0.00 H new ATOM 681 N VAL A 45 -7.104 -0.775 4.741 1.00 0.00 N ATOM 682 CA VAL A 45 -5.977 0.115 4.471 1.00 0.00 C ATOM 683 C VAL A 45 -6.282 1.546 4.923 1.00 0.00 C ATOM 684 O VAL A 45 -7.429 1.995 4.863 1.00 0.00 O ATOM 685 CB VAL A 45 -5.607 0.118 2.970 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.770 0.614 2.120 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.362 0.961 2.724 1.00 0.00 C ATOM 0 H VAL A 45 -8.018 -0.367 4.543 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.129 -0.265 5.041 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.390 -0.909 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.482 0.606 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.631 -0.038 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.030 1.630 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.119 0.950 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.548 1.987 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.527 0.551 3.292 1.00 0.00 H new ATOM 697 N LEU A 46 -5.248 2.256 5.375 1.00 0.00 N ATOM 698 CA LEU A 46 -5.400 3.635 5.836 1.00 0.00 C ATOM 699 C LEU A 46 -4.323 4.529 5.225 1.00 0.00 C ATOM 700 O LEU A 46 -3.186 4.551 5.694 1.00 0.00 O ATOM 701 CB LEU A 46 -5.326 3.703 7.367 1.00 0.00 C ATOM 702 CG LEU A 46 -6.116 2.622 8.112 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.839 2.691 9.607 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.607 2.762 7.837 1.00 0.00 C ATOM 0 H LEU A 46 -4.295 1.898 5.431 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.378 3.993 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.280 3.636 7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.688 4.680 7.688 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.790 1.648 7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.409 1.916 10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.775 2.538 9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.134 3.669 9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.151 1.985 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.948 3.742 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.791 2.659 6.768 1.00 0.00 H new ATOM 716 N ASP A 47 -4.688 5.261 4.171 1.00 0.00 N ATOM 717 CA ASP A 47 -3.750 6.152 3.490 1.00 0.00 C ATOM 718 C ASP A 47 -3.544 7.442 4.282 1.00 0.00 C ATOM 719 O ASP A 47 -4.352 8.369 4.201 1.00 0.00 O ATOM 720 CB ASP A 47 -4.249 6.477 2.076 1.00 0.00 C ATOM 721 CG ASP A 47 -4.602 5.235 1.279 1.00 0.00 C ATOM 722 OD1 ASP A 47 -5.691 4.671 1.511 1.00 0.00 O ATOM 723 OD2 ASP A 47 -3.785 4.823 0.427 1.00 0.00 O ATOM 0 H ASP A 47 -5.626 5.254 3.771 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.792 5.637 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.126 7.121 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.481 7.039 1.544 1.00 0.00 H new ATOM 728 N SER A 48 -2.455 7.494 5.050 1.00 0.00 N ATOM 729 CA SER A 48 -2.143 8.667 5.860 1.00 0.00 C ATOM 730 C SER A 48 -0.743 9.195 5.545 1.00 0.00 C ATOM 731 O SER A 48 0.246 8.471 5.668 1.00 0.00 O ATOM 732 CB SER A 48 -2.254 8.323 7.351 1.00 0.00 C ATOM 733 OG SER A 48 -1.651 9.323 8.160 1.00 0.00 O ATOM 0 H SER A 48 -1.776 6.737 5.127 1.00 0.00 H new ATOM 0 HA SER A 48 -2.863 9.449 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.304 8.216 7.624 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.776 7.362 7.541 1.00 0.00 H new ATOM 0 HG SER A 48 -1.739 9.077 9.104 1.00 0.00 H new ATOM 739 N LYS A 49 -0.672 10.464 5.139 1.00 0.00 N ATOM 740 CA LYS A 49 0.602 11.100 4.809 1.00 0.00 C ATOM 741 C LYS A 49 1.504 11.180 6.043 1.00 0.00 C ATOM 742 O LYS A 49 1.018 11.211 7.173 1.00 0.00 O ATOM 743 CB LYS A 49 0.365 12.507 4.247 1.00 0.00 C ATOM 744 CG LYS A 49 -0.219 12.515 2.841 1.00 0.00 C ATOM 745 CD LYS A 49 -1.734 12.659 2.863 1.00 0.00 C ATOM 746 CE LYS A 49 -2.205 13.767 1.931 1.00 0.00 C ATOM 747 NZ LYS A 49 -1.949 15.122 2.500 1.00 0.00 N ATOM 0 H LYS A 49 -1.484 11.071 5.031 1.00 0.00 H new ATOM 0 HA LYS A 49 1.099 10.492 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.308 13.046 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.310 13.050 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.217 13.335 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.052 11.592 2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.194 11.716 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.065 12.872 3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.696 13.675 0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.272 13.650 1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.284 15.847 1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.455 15.221 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.929 15.244 2.660 1.00 0.00 H new ATOM 761 N PRO A 50 2.838 11.214 5.841 1.00 0.00 N ATOM 762 CA PRO A 50 3.806 11.289 6.943 1.00 0.00 C ATOM 763 C PRO A 50 3.591 12.519 7.821 1.00 0.00 C ATOM 764 O PRO A 50 3.751 13.654 7.367 1.00 0.00 O ATOM 765 CB PRO A 50 5.168 11.366 6.235 1.00 0.00 C ATOM 766 CG PRO A 50 4.863 11.748 4.827 1.00 0.00 C ATOM 767 CD PRO A 50 3.505 11.182 4.527 1.00 0.00 C ATOM 0 HA PRO A 50 3.715 10.437 7.616 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.816 12.102 6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.688 10.409 6.278 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.869 12.831 4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.612 11.348 4.144 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.972 11.781 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.568 10.169 4.130 1.00 0.00 H new ATOM 775 N ARG A 51 3.228 12.286 9.082 1.00 0.00 N ATOM 776 CA ARG A 51 2.988 13.374 10.027 1.00 0.00 C ATOM 777 C ARG A 51 3.945 13.294 11.212 1.00 0.00 C ATOM 778 O ARG A 51 4.855 14.114 11.340 1.00 0.00 O ATOM 779 CB ARG A 51 1.541 13.341 10.523 1.00 0.00 C ATOM 780 CG ARG A 51 0.547 13.960 9.555 1.00 0.00 C ATOM 781 CD ARG A 51 0.035 15.303 10.056 1.00 0.00 C ATOM 782 NE ARG A 51 -1.336 15.573 9.619 1.00 0.00 N ATOM 783 CZ ARG A 51 -1.950 16.751 9.764 1.00 0.00 C ATOM 784 NH1 ARG A 51 -1.319 17.776 10.332 1.00 0.00 N ATOM 785 NH2 ARG A 51 -3.200 16.904 9.339 1.00 0.00 N ATOM 0 H ARG A 51 3.094 11.353 9.472 1.00 0.00 H new ATOM 0 HA ARG A 51 3.165 14.314 9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.255 12.306 10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.481 13.866 11.476 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.020 14.091 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.293 13.281 9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.077 15.322 11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.691 16.096 9.698 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.855 14.815 9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.360 17.666 10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.795 18.672 10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.690 16.123 8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.670 17.803 9.449 1.00 0.00 H new ATOM 799 N GLU A 52 3.738 12.300 12.075 1.00 0.00 N ATOM 800 CA GLU A 52 4.588 12.118 13.243 1.00 0.00 C ATOM 801 C GLU A 52 5.774 11.227 12.900 1.00 0.00 C ATOM 802 O GLU A 52 5.601 10.095 12.444 1.00 0.00 O ATOM 803 CB GLU A 52 3.796 11.496 14.396 1.00 0.00 C ATOM 804 CG GLU A 52 2.714 12.401 14.963 1.00 0.00 C ATOM 805 CD GLU A 52 1.372 11.701 15.076 1.00 0.00 C ATOM 806 OE1 GLU A 52 1.243 10.796 15.929 1.00 0.00 O ATOM 807 OE2 GLU A 52 0.454 12.054 14.306 1.00 0.00 O ATOM 0 H GLU A 52 2.990 11.612 11.985 1.00 0.00 H new ATOM 0 HA GLU A 52 4.952 13.097 13.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.336 10.570 14.049 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.487 11.229 15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.020 12.755 15.948 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.609 13.280 14.327 1.00 0.00 H new ATOM 814 N SER A 53 6.978 11.743 13.124 1.00 0.00 N ATOM 815 CA SER A 53 8.195 10.993 12.839 1.00 0.00 C ATOM 816 C SER A 53 8.734 10.336 14.109 1.00 0.00 C ATOM 817 O SER A 53 9.430 10.968 14.904 1.00 0.00 O ATOM 818 CB SER A 53 9.251 11.914 12.218 1.00 0.00 C ATOM 819 OG SER A 53 9.694 12.892 13.143 1.00 0.00 O ATOM 0 H SER A 53 7.137 12.677 13.502 1.00 0.00 H new ATOM 0 HA SER A 53 7.957 10.205 12.125 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.100 11.320 11.880 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.835 12.405 11.338 1.00 0.00 H new ATOM 0 HG SER A 53 9.624 12.537 14.054 1.00 0.00 H new ATOM 825 N LYS A 54 8.399 9.060 14.292 1.00 0.00 N ATOM 826 CA LYS A 54 8.839 8.304 15.463 1.00 0.00 C ATOM 827 C LYS A 54 9.315 6.903 15.074 1.00 0.00 C ATOM 828 O LYS A 54 9.291 5.982 15.891 1.00 0.00 O ATOM 829 CB LYS A 54 7.692 8.197 16.472 1.00 0.00 C ATOM 830 CG LYS A 54 6.542 7.319 16.001 1.00 0.00 C ATOM 831 CD LYS A 54 5.279 7.559 16.812 1.00 0.00 C ATOM 832 CE LYS A 54 4.182 8.183 15.963 1.00 0.00 C ATOM 833 NZ LYS A 54 2.843 7.608 16.267 1.00 0.00 N ATOM 0 H LYS A 54 7.822 8.526 13.642 1.00 0.00 H new ATOM 0 HA LYS A 54 9.678 8.836 15.913 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.081 7.799 17.409 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.311 9.196 16.683 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.341 7.517 14.948 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.830 6.271 16.079 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.927 6.615 17.227 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.505 8.213 17.654 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.161 9.259 16.133 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.410 8.031 14.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.126 8.062 15.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.854 6.585 16.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.612 7.775 17.267 1.00 0.00 H new ATOM 847 N GLU A 55 9.734 6.748 13.816 1.00 0.00 N ATOM 848 CA GLU A 55 10.202 5.461 13.305 1.00 0.00 C ATOM 849 C GLU A 55 9.085 4.411 13.313 1.00 0.00 C ATOM 850 O GLU A 55 9.349 3.210 13.238 1.00 0.00 O ATOM 851 CB GLU A 55 11.403 4.961 14.113 1.00 0.00 C ATOM 852 CG GLU A 55 12.504 4.357 13.254 1.00 0.00 C ATOM 853 CD GLU A 55 13.852 5.023 13.464 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.307 5.094 14.627 1.00 0.00 O ATOM 855 OE2 GLU A 55 14.451 5.473 12.466 1.00 0.00 O ATOM 0 H GLU A 55 9.758 7.503 13.131 1.00 0.00 H new ATOM 0 HA GLU A 55 10.512 5.614 12.271 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.815 5.791 14.687 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.063 4.215 14.831 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.591 3.294 13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.224 4.439 12.204 1.00 0.00 H new ATOM 862 N ASN A 56 7.835 4.872 13.390 1.00 0.00 N ATOM 863 CA ASN A 56 6.683 3.974 13.392 1.00 0.00 C ATOM 864 C ASN A 56 5.785 4.234 12.185 1.00 0.00 C ATOM 865 O ASN A 56 4.581 3.969 12.221 1.00 0.00 O ATOM 866 CB ASN A 56 5.885 4.131 14.688 1.00 0.00 C ATOM 867 CG ASN A 56 6.512 3.374 15.840 1.00 0.00 C ATOM 868 OD1 ASN A 56 5.932 2.425 16.366 1.00 0.00 O ATOM 869 ND2 ASN A 56 7.706 3.794 16.240 1.00 0.00 N ATOM 0 H ASN A 56 7.597 5.862 13.452 1.00 0.00 H new ATOM 0 HA ASN A 56 7.053 2.951 13.329 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.816 5.188 14.945 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.867 3.774 14.532 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.179 3.325 17.013 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.150 4.585 15.775 1.00 0.00 H new ATOM 876 N VAL A 57 6.383 4.750 11.111 1.00 0.00 N ATOM 877 CA VAL A 57 5.650 5.044 9.883 1.00 0.00 C ATOM 878 C VAL A 57 6.149 4.176 8.728 1.00 0.00 C ATOM 879 O VAL A 57 7.236 4.402 8.191 1.00 0.00 O ATOM 880 CB VAL A 57 5.754 6.540 9.493 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.661 7.347 10.179 1.00 0.00 C ATOM 882 CG2 VAL A 57 7.126 7.107 9.834 1.00 0.00 C ATOM 0 H VAL A 57 7.377 4.973 11.069 1.00 0.00 H new ATOM 0 HA VAL A 57 4.602 4.814 10.077 1.00 0.00 H new ATOM 0 HB VAL A 57 5.619 6.613 8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.749 8.395 9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.685 6.969 9.875 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.765 7.255 11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.167 8.158 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.301 7.015 10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.893 6.554 9.292 1.00 0.00 H new ATOM 892 N PHE A 58 5.341 3.182 8.353 1.00 0.00 N ATOM 893 CA PHE A 58 5.682 2.267 7.260 1.00 0.00 C ATOM 894 C PHE A 58 4.420 1.781 6.547 1.00 0.00 C ATOM 895 O PHE A 58 3.327 1.804 7.115 1.00 0.00 O ATOM 896 CB PHE A 58 6.488 1.060 7.771 1.00 0.00 C ATOM 897 CG PHE A 58 6.539 0.938 9.271 1.00 0.00 C ATOM 898 CD1 PHE A 58 5.431 0.511 9.983 1.00 0.00 C ATOM 899 CD2 PHE A 58 7.695 1.258 9.965 1.00 0.00 C ATOM 900 CE1 PHE A 58 5.472 0.407 11.360 1.00 0.00 C ATOM 901 CE2 PHE A 58 7.744 1.154 11.342 1.00 0.00 C ATOM 902 CZ PHE A 58 6.629 0.729 12.040 1.00 0.00 C ATOM 0 H PHE A 58 4.441 2.989 8.793 1.00 0.00 H new ATOM 0 HA PHE A 58 6.300 2.820 6.553 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.055 0.148 7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.507 1.130 7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.524 0.256 9.456 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.568 1.592 9.423 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.600 0.074 11.903 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.651 1.404 11.872 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.663 0.649 13.116 1.00 0.00 H new ATOM 912 N ILE A 59 4.581 1.348 5.299 1.00 0.00 N ATOM 913 CA ILE A 59 3.464 0.859 4.499 1.00 0.00 C ATOM 914 C ILE A 59 3.589 -0.647 4.236 1.00 0.00 C ATOM 915 O ILE A 59 4.605 -1.111 3.716 1.00 0.00 O ATOM 916 CB ILE A 59 3.370 1.627 3.160 1.00 0.00 C ATOM 917 CG1 ILE A 59 2.250 1.058 2.280 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.703 1.600 2.425 1.00 0.00 C ATOM 919 CD1 ILE A 59 2.233 1.614 0.871 1.00 0.00 C ATOM 0 H ILE A 59 5.481 1.326 4.819 1.00 0.00 H new ATOM 0 HA ILE A 59 2.550 1.033 5.067 1.00 0.00 H new ATOM 0 HB ILE A 59 3.128 2.666 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.355 -0.026 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.290 1.264 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.612 2.146 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.469 2.067 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.983 0.567 2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.413 1.163 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.096 2.695 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.178 1.385 0.378 1.00 0.00 H new ATOM 931 N VAL A 60 2.554 -1.405 4.611 1.00 0.00 N ATOM 932 CA VAL A 60 2.556 -2.858 4.427 1.00 0.00 C ATOM 933 C VAL A 60 1.696 -3.278 3.227 1.00 0.00 C ATOM 934 O VAL A 60 0.691 -2.639 2.911 1.00 0.00 O ATOM 935 CB VAL A 60 2.073 -3.605 5.703 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.579 -2.913 6.961 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.555 -3.732 5.741 1.00 0.00 C ATOM 0 H VAL A 60 1.706 -1.037 5.043 1.00 0.00 H new ATOM 0 HA VAL A 60 3.591 -3.141 4.232 1.00 0.00 H new ATOM 0 HB VAL A 60 2.491 -4.611 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.228 -3.454 7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.669 -2.898 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.203 -1.890 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.257 -4.259 6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.107 -2.739 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.215 -4.289 4.868 1.00 0.00 H new ATOM 947 N SER A 61 2.112 -4.358 2.565 1.00 0.00 N ATOM 948 CA SER A 61 1.400 -4.885 1.399 1.00 0.00 C ATOM 949 C SER A 61 0.494 -6.056 1.783 1.00 0.00 C ATOM 950 O SER A 61 0.662 -6.659 2.843 1.00 0.00 O ATOM 951 CB SER A 61 2.392 -5.334 0.320 1.00 0.00 C ATOM 952 OG SER A 61 3.633 -5.719 0.888 1.00 0.00 O ATOM 0 H SER A 61 2.945 -4.889 2.819 1.00 0.00 H new ATOM 0 HA SER A 61 0.778 -4.082 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.971 -6.170 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.551 -4.523 -0.391 1.00 0.00 H new ATOM 0 HG SER A 61 4.245 -6.002 0.177 1.00 0.00 H new ATOM 958 N PRO A 62 -0.483 -6.395 0.915 1.00 0.00 N ATOM 959 CA PRO A 62 -1.416 -7.504 1.160 1.00 0.00 C ATOM 960 C PRO A 62 -0.694 -8.824 1.423 1.00 0.00 C ATOM 961 O PRO A 62 0.208 -9.206 0.675 1.00 0.00 O ATOM 962 CB PRO A 62 -2.228 -7.588 -0.137 1.00 0.00 C ATOM 963 CG PRO A 62 -2.106 -6.239 -0.756 1.00 0.00 C ATOM 964 CD PRO A 62 -0.744 -5.731 -0.377 1.00 0.00 C ATOM 0 HA PRO A 62 -2.025 -7.330 2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.838 -8.362 -0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.270 -7.837 0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.214 -6.296 -1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.887 -5.571 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.006 -5.994 -1.123 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.732 -4.645 -0.281 1.00 0.00 H new ATOM 972 N TYR A 63 -1.098 -9.512 2.495 1.00 0.00 N ATOM 973 CA TYR A 63 -0.500 -10.797 2.879 1.00 0.00 C ATOM 974 C TYR A 63 0.866 -10.624 3.558 1.00 0.00 C ATOM 975 O TYR A 63 1.468 -11.605 3.997 1.00 0.00 O ATOM 976 CB TYR A 63 -0.364 -11.716 1.661 1.00 0.00 C ATOM 977 CG TYR A 63 -0.872 -13.122 1.896 1.00 0.00 C ATOM 978 CD1 TYR A 63 -2.136 -13.346 2.431 1.00 0.00 C ATOM 979 CD2 TYR A 63 -0.091 -14.224 1.580 1.00 0.00 C ATOM 980 CE1 TYR A 63 -2.603 -14.626 2.643 1.00 0.00 C ATOM 981 CE2 TYR A 63 -0.552 -15.510 1.789 1.00 0.00 C ATOM 982 CZ TYR A 63 -1.808 -15.705 2.322 1.00 0.00 C ATOM 983 OH TYR A 63 -2.272 -16.984 2.532 1.00 0.00 O ATOM 0 H TYR A 63 -1.843 -9.198 3.118 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.174 -11.254 3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.909 -11.278 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.685 -11.763 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.762 -12.503 2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.894 -14.074 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.587 -14.782 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.068 -16.357 1.536 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.590 -17.630 2.252 1.00 0.00 H new ATOM 993 N ASN A 64 1.349 -9.384 3.652 1.00 0.00 N ATOM 994 CA ASN A 64 2.635 -9.115 4.285 1.00 0.00 C ATOM 995 C ASN A 64 2.476 -8.991 5.799 1.00 0.00 C ATOM 996 O ASN A 64 2.181 -7.914 6.318 1.00 0.00 O ATOM 997 CB ASN A 64 3.259 -7.838 3.713 1.00 0.00 C ATOM 998 CG ASN A 64 4.683 -8.051 3.237 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.636 -7.611 3.880 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.837 -8.729 2.105 1.00 0.00 N ATOM 0 H ASN A 64 0.870 -8.556 3.299 1.00 0.00 H new ATOM 0 HA ASN A 64 3.299 -9.953 4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.651 -7.481 2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.247 -7.059 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.773 -8.902 1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.020 -9.076 1.603 1.00 0.00 H new ATOM 1007 N HIS A 65 2.679 -10.106 6.501 1.00 0.00 N ATOM 1008 CA HIS A 65 2.568 -10.130 7.958 1.00 0.00 C ATOM 1009 C HIS A 65 3.808 -9.512 8.601 1.00 0.00 C ATOM 1010 O HIS A 65 4.744 -9.124 7.902 1.00 0.00 O ATOM 1011 CB HIS A 65 2.375 -11.567 8.458 1.00 0.00 C ATOM 1012 CG HIS A 65 1.107 -12.208 7.982 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -0.106 -11.550 7.949 1.00 0.00 N ATOM 1014 CD2 HIS A 65 0.865 -13.458 7.519 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -1.037 -12.367 7.489 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -0.473 -13.529 7.219 1.00 0.00 N ATOM 0 H HIS A 65 2.921 -11.004 6.083 1.00 0.00 H new ATOM 0 HA HIS A 65 1.697 -9.540 8.244 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.221 -12.172 8.132 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.384 -11.567 9.548 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.590 -14.251 7.407 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.081 -12.125 7.357 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -0.954 -14.348 6.847 1.00 0.00 H new ATOM 1025 N THR A 66 3.796 -9.417 9.933 1.00 0.00 N ATOM 1026 CA THR A 66 4.908 -8.836 10.691 1.00 0.00 C ATOM 1027 C THR A 66 5.138 -7.380 10.286 1.00 0.00 C ATOM 1028 O THR A 66 5.733 -7.093 9.246 1.00 0.00 O ATOM 1029 CB THR A 66 6.199 -9.660 10.534 1.00 0.00 C ATOM 1030 OG1 THR A 66 6.873 -9.360 9.323 1.00 0.00 O ATOM 1031 CG2 THR A 66 5.970 -11.153 10.563 1.00 0.00 C ATOM 0 H THR A 66 3.021 -9.738 10.513 1.00 0.00 H new ATOM 0 HA THR A 66 4.633 -8.861 11.745 1.00 0.00 H new ATOM 0 HB THR A 66 6.804 -9.376 11.395 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.277 -8.851 8.734 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.923 -11.670 10.447 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.519 -11.433 11.515 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.303 -11.435 9.748 1.00 0.00 H new ATOM 1039 N ASN A 67 4.651 -6.463 11.118 1.00 0.00 N ATOM 1040 CA ASN A 67 4.794 -5.034 10.849 1.00 0.00 C ATOM 1041 C ASN A 67 6.245 -4.590 11.014 1.00 0.00 C ATOM 1042 O ASN A 67 6.634 -4.060 12.058 1.00 0.00 O ATOM 1043 CB ASN A 67 3.871 -4.218 11.763 1.00 0.00 C ATOM 1044 CG ASN A 67 2.490 -4.023 11.158 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.963 -2.910 11.136 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.897 -5.105 10.661 1.00 0.00 N ATOM 0 H ASN A 67 4.155 -6.683 11.982 1.00 0.00 H new ATOM 0 HA ASN A 67 4.502 -4.853 9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.777 -4.722 12.725 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.322 -3.245 11.956 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.970 -5.031 10.241 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.369 -6.008 10.700 1.00 0.00 H new ATOM 1053 N LEU A 68 7.034 -4.811 9.966 1.00 0.00 N ATOM 1054 CA LEU A 68 8.446 -4.443 9.956 1.00 0.00 C ATOM 1055 C LEU A 68 8.871 -3.956 8.567 1.00 0.00 C ATOM 1056 O LEU A 68 9.201 -2.783 8.395 1.00 0.00 O ATOM 1057 CB LEU A 68 9.319 -5.626 10.400 1.00 0.00 C ATOM 1058 CG LEU A 68 9.952 -5.485 11.788 1.00 0.00 C ATOM 1059 CD1 LEU A 68 10.048 -6.840 12.473 1.00 0.00 C ATOM 1060 CD2 LEU A 68 11.330 -4.841 11.688 1.00 0.00 C ATOM 0 H LEU A 68 6.713 -5.249 9.102 1.00 0.00 H new ATOM 0 HA LEU A 68 8.587 -3.626 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.711 -6.531 10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.115 -5.765 9.668 1.00 0.00 H new ATOM 0 HG LEU A 68 9.313 -4.839 12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.500 -6.719 13.457 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.050 -7.264 12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.663 -7.509 11.871 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.762 -4.750 12.684 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.977 -5.461 11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.237 -3.851 11.241 1.00 0.00 H new ATOM 1072 N PRO A 69 8.863 -4.848 7.546 1.00 0.00 N ATOM 1073 CA PRO A 69 9.246 -4.484 6.171 1.00 0.00 C ATOM 1074 C PRO A 69 8.350 -3.390 5.586 1.00 0.00 C ATOM 1075 O PRO A 69 7.482 -2.854 6.274 1.00 0.00 O ATOM 1076 CB PRO A 69 9.086 -5.794 5.385 1.00 0.00 C ATOM 1077 CG PRO A 69 8.190 -6.642 6.222 1.00 0.00 C ATOM 1078 CD PRO A 69 8.479 -6.268 7.644 1.00 0.00 C ATOM 0 HA PRO A 69 10.255 -4.075 6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.652 -5.613 4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.050 -6.278 5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.143 -6.464 5.977 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.382 -7.701 6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.606 -6.406 8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.281 -6.874 8.065 1.00 0.00 H new ATOM 1086 N THR A 70 8.568 -3.055 4.314 1.00 0.00 N ATOM 1087 CA THR A 70 7.783 -2.015 3.651 1.00 0.00 C ATOM 1088 C THR A 70 7.660 -2.296 2.154 1.00 0.00 C ATOM 1089 O THR A 70 8.413 -3.097 1.605 1.00 0.00 O ATOM 1090 CB THR A 70 8.433 -0.643 3.879 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.903 -0.517 5.212 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.496 0.514 3.622 1.00 0.00 C ATOM 0 H THR A 70 9.279 -3.487 3.724 1.00 0.00 H new ATOM 0 HA THR A 70 6.781 -2.013 4.081 1.00 0.00 H new ATOM 0 HB THR A 70 9.254 -0.598 3.164 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.314 0.364 5.332 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.019 1.453 3.802 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.153 0.482 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.638 0.443 4.291 1.00 0.00 H new ATOM 1100 N VAL A 71 6.703 -1.642 1.501 1.00 0.00 N ATOM 1101 CA VAL A 71 6.491 -1.834 0.070 1.00 0.00 C ATOM 1102 C VAL A 71 5.960 -0.562 -0.595 1.00 0.00 C ATOM 1103 O VAL A 71 5.370 0.291 0.064 1.00 0.00 O ATOM 1104 CB VAL A 71 5.524 -3.007 -0.184 1.00 0.00 C ATOM 1105 CG1 VAL A 71 4.080 -2.602 0.084 1.00 0.00 C ATOM 1106 CG2 VAL A 71 5.696 -3.543 -1.595 1.00 0.00 C ATOM 0 H VAL A 71 6.065 -0.977 1.938 1.00 0.00 H new ATOM 0 HA VAL A 71 7.458 -2.069 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 71 5.770 -3.807 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.423 -3.451 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.977 -2.287 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.805 -1.778 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.005 -4.371 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.487 -2.750 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.719 -3.893 -1.729 1.00 0.00 H new ATOM 1116 N THR A 72 6.178 -0.438 -1.902 1.00 0.00 N ATOM 1117 CA THR A 72 5.722 0.739 -2.645 1.00 0.00 C ATOM 1118 C THR A 72 4.198 0.768 -2.772 1.00 0.00 C ATOM 1119 O THR A 72 3.539 -0.276 -2.735 1.00 0.00 O ATOM 1120 CB THR A 72 6.365 0.782 -4.037 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.479 -0.519 -4.588 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.746 1.400 -4.038 1.00 0.00 C ATOM 0 H THR A 72 6.665 -1.133 -2.468 1.00 0.00 H new ATOM 0 HA THR A 72 6.032 1.620 -2.082 1.00 0.00 H new ATOM 0 HB THR A 72 5.701 1.404 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.739 -0.453 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.144 1.400 -5.053 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.686 2.425 -3.672 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.404 0.821 -3.390 1.00 0.00 H new ATOM 1130 N PRO A 73 3.618 1.974 -2.938 1.00 0.00 N ATOM 1131 CA PRO A 73 2.167 2.153 -3.085 1.00 0.00 C ATOM 1132 C PRO A 73 1.655 1.642 -4.427 1.00 0.00 C ATOM 1133 O PRO A 73 0.543 1.120 -4.523 1.00 0.00 O ATOM 1134 CB PRO A 73 1.987 3.666 -2.993 1.00 0.00 C ATOM 1135 CG PRO A 73 3.281 4.227 -3.467 1.00 0.00 C ATOM 1136 CD PRO A 73 4.338 3.261 -3.010 1.00 0.00 C ATOM 0 HA PRO A 73 1.609 1.595 -2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.157 4.005 -3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.770 3.978 -1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.288 4.330 -4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.453 5.220 -3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.171 3.216 -3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.751 3.545 -2.042 1.00 0.00 H new ATOM 1144 N THR A 74 2.485 1.796 -5.460 1.00 0.00 N ATOM 1145 CA THR A 74 2.140 1.350 -6.812 1.00 0.00 C ATOM 1146 C THR A 74 1.781 -0.140 -6.839 1.00 0.00 C ATOM 1147 O THR A 74 1.134 -0.606 -7.778 1.00 0.00 O ATOM 1148 CB THR A 74 3.295 1.627 -7.784 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.006 2.796 -7.408 1.00 0.00 O ATOM 1150 CG2 THR A 74 2.840 1.806 -9.219 1.00 0.00 C ATOM 0 H THR A 74 3.406 2.229 -5.386 1.00 0.00 H new ATOM 0 HA THR A 74 1.264 1.916 -7.128 1.00 0.00 H new ATOM 0 HB THR A 74 3.934 0.745 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.738 2.951 -8.041 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.705 1.999 -9.854 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.337 0.900 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.151 2.648 -9.280 1.00 0.00 H new ATOM 1158 N TYR A 75 2.195 -0.880 -5.801 1.00 0.00 N ATOM 1159 CA TYR A 75 1.904 -2.314 -5.697 1.00 0.00 C ATOM 1160 C TYR A 75 0.438 -2.598 -6.032 1.00 0.00 C ATOM 1161 O TYR A 75 0.128 -3.564 -6.730 1.00 0.00 O ATOM 1162 CB TYR A 75 2.217 -2.808 -4.278 1.00 0.00 C ATOM 1163 CG TYR A 75 2.311 -4.315 -4.143 1.00 0.00 C ATOM 1164 CD1 TYR A 75 1.197 -5.128 -4.334 1.00 0.00 C ATOM 1165 CD2 TYR A 75 3.513 -4.924 -3.812 1.00 0.00 C ATOM 1166 CE1 TYR A 75 1.284 -6.501 -4.200 1.00 0.00 C ATOM 1167 CE2 TYR A 75 3.607 -6.296 -3.678 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.492 -7.080 -3.873 1.00 0.00 C ATOM 1169 OH TYR A 75 2.583 -8.448 -3.742 1.00 0.00 O ATOM 0 H TYR A 75 2.734 -0.506 -5.020 1.00 0.00 H new ATOM 0 HA TYR A 75 2.531 -2.845 -6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.160 -2.367 -3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.445 -2.443 -3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.249 -4.678 -4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.391 -4.315 -3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.410 -7.117 -4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.552 -6.752 -3.421 1.00 0.00 H new ATOM 0 HH TYR A 75 3.503 -8.694 -3.510 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.454 -1.742 -5.532 1.00 0.00 N ATOM 1180 CA ILE A 76 -1.887 -1.889 -5.773 1.00 0.00 C ATOM 1181 C ILE A 76 -2.215 -1.769 -7.261 1.00 0.00 C ATOM 1182 O ILE A 76 -2.973 -2.574 -7.801 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.709 -0.839 -4.994 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.395 -0.914 -3.497 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.196 -1.044 -5.238 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.271 -0.017 -2.643 1.00 0.00 C ATOM 0 H ILE A 76 -0.207 -0.937 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.158 -2.884 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.433 0.152 -5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.511 -1.945 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.351 -0.643 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.762 -0.297 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.407 -0.942 -6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.485 -2.040 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.990 -0.124 -1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.138 1.020 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.316 -0.302 -2.769 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.638 -0.763 -7.922 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.872 -0.553 -9.352 1.00 0.00 C ATOM 1200 C LYS A 77 -1.537 -1.816 -10.147 1.00 0.00 C ATOM 1201 O LYS A 77 -2.199 -2.127 -11.136 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.046 0.629 -9.867 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.533 1.984 -9.370 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.269 3.084 -10.388 1.00 0.00 C ATOM 1205 CE LYS A 77 -2.051 4.350 -10.065 1.00 0.00 C ATOM 1206 NZ LYS A 77 -1.464 5.094 -8.915 1.00 0.00 N ATOM 0 H LYS A 77 -1.009 -0.085 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.929 -0.326 -9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.008 0.494 -9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.064 0.625 -10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.601 1.932 -9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.034 2.229 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.203 3.311 -10.411 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.541 2.732 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.071 4.997 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.085 4.089 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.163 5.770 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.201 4.423 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.617 5.609 -9.231 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.511 -2.546 -9.700 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.097 -3.782 -10.362 1.00 0.00 C ATOM 1222 C ALA A 78 -0.842 -4.999 -9.800 1.00 0.00 C ATOM 1223 O ALA A 78 -0.869 -6.054 -10.429 1.00 0.00 O ATOM 1224 CB ALA A 78 1.406 -3.981 -10.232 1.00 0.00 C ATOM 0 H ALA A 78 0.047 -2.301 -8.882 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.352 -3.690 -11.418 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.695 -4.906 -10.731 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.925 -3.142 -10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.676 -4.038 -9.177 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.442 -4.850 -8.616 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.180 -5.947 -7.992 1.00 0.00 C ATOM 1232 C CYS A 79 -3.636 -5.966 -8.454 1.00 0.00 C ATOM 1233 O CYS A 79 -4.241 -7.030 -8.574 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.119 -5.831 -6.468 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.314 -7.405 -5.598 1.00 0.00 S ATOM 0 H CYS A 79 -1.431 -3.986 -8.075 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.711 -6.882 -8.299 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.164 -5.389 -6.186 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.898 -5.145 -6.135 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.162 -8.386 -6.437 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.191 -4.785 -8.711 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.574 -4.669 -9.162 1.00 0.00 C ATOM 1243 C CYS A 80 -5.671 -4.770 -10.685 1.00 0.00 C ATOM 1244 O CYS A 80 -6.661 -5.278 -11.217 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.174 -3.344 -8.683 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.956 -3.198 -8.951 1.00 0.00 S ATOM 0 H CYS A 80 -3.704 -3.894 -8.614 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.140 -5.496 -8.732 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.967 -3.228 -7.619 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.672 -2.524 -9.197 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.368 -2.046 -8.512 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.645 -4.281 -11.383 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.626 -4.314 -12.846 1.00 0.00 C ATOM 1254 C GLN A 81 -3.814 -5.498 -13.371 1.00 0.00 C ATOM 1255 O GLN A 81 -4.262 -6.215 -14.267 1.00 0.00 O ATOM 1256 CB GLN A 81 -4.063 -3.005 -13.404 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.797 -1.765 -12.916 1.00 0.00 C ATOM 1258 CD GLN A 81 -5.588 -1.073 -14.011 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -5.922 -1.677 -15.031 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -5.895 0.203 -13.806 1.00 0.00 N ATOM 0 H GLN A 81 -3.818 -3.858 -10.960 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.655 -4.434 -13.185 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.011 -2.926 -13.128 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.106 -3.037 -14.493 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.474 -2.045 -12.108 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.075 -1.063 -12.498 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.599 0.667 -12.947 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.426 0.719 -14.507 1.00 0.00 H new ATOM 1269 N SER A 82 -2.619 -5.699 -12.815 1.00 0.00 N ATOM 1270 CA SER A 82 -1.750 -6.801 -13.240 1.00 0.00 C ATOM 1271 C SER A 82 -1.965 -8.059 -12.391 1.00 0.00 C ATOM 1272 O SER A 82 -1.381 -9.105 -12.677 1.00 0.00 O ATOM 1273 CB SER A 82 -0.279 -6.376 -13.167 1.00 0.00 C ATOM 1274 OG SER A 82 0.243 -6.113 -14.457 1.00 0.00 O ATOM 0 H SER A 82 -2.230 -5.117 -12.073 1.00 0.00 H new ATOM 0 HA SER A 82 -2.012 -7.042 -14.270 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.186 -5.485 -12.546 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.306 -7.161 -12.688 1.00 0.00 H new ATOM 0 HG SER A 82 1.043 -5.553 -14.378 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.792 -7.953 -11.343 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.068 -9.082 -10.454 1.00 0.00 C ATOM 1282 C ASN A 83 -1.832 -9.425 -9.617 1.00 0.00 C ATOM 1283 O ASN A 83 -1.772 -9.106 -8.431 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.536 -10.305 -11.250 1.00 0.00 C ATOM 1285 CG ASN A 83 -4.791 -10.926 -10.666 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -4.726 -11.922 -9.946 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -5.944 -10.340 -10.972 1.00 0.00 N ATOM 0 H ASN A 83 -3.281 -7.094 -11.092 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.872 -8.790 -9.778 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.725 -10.013 -12.283 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.740 -11.049 -11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.819 -10.715 -10.606 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.953 -9.516 -11.573 1.00 0.00 H new ATOM 1294 N SER A 84 -0.846 -10.065 -10.247 1.00 0.00 N ATOM 1295 CA SER A 84 0.389 -10.441 -9.565 1.00 0.00 C ATOM 1296 C SER A 84 1.471 -10.831 -10.576 1.00 0.00 C ATOM 1297 O SER A 84 2.243 -11.764 -10.350 1.00 0.00 O ATOM 1298 CB SER A 84 0.130 -11.597 -8.591 1.00 0.00 C ATOM 1299 OG SER A 84 -0.202 -11.115 -7.299 1.00 0.00 O ATOM 0 H SER A 84 -0.881 -10.333 -11.230 1.00 0.00 H new ATOM 0 HA SER A 84 0.743 -9.579 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.681 -12.220 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.016 -12.229 -8.530 1.00 0.00 H new ATOM 0 HG SER A 84 -0.796 -10.340 -7.382 1.00 0.00 H new ATOM 1305 N LEU A 85 1.517 -10.107 -11.695 1.00 0.00 N ATOM 1306 CA LEU A 85 2.497 -10.375 -12.744 1.00 0.00 C ATOM 1307 C LEU A 85 3.746 -9.510 -12.575 1.00 0.00 C ATOM 1308 O LEU A 85 4.865 -9.981 -12.787 1.00 0.00 O ATOM 1309 CB LEU A 85 1.874 -10.133 -14.122 1.00 0.00 C ATOM 1310 CG LEU A 85 2.488 -10.948 -15.261 1.00 0.00 C ATOM 1311 CD1 LEU A 85 1.769 -12.283 -15.411 1.00 0.00 C ATOM 1312 CD2 LEU A 85 2.442 -10.160 -16.562 1.00 0.00 C ATOM 0 H LEU A 85 0.886 -9.331 -11.897 1.00 0.00 H new ATOM 0 HA LEU A 85 2.797 -11.420 -12.662 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.809 -10.358 -14.067 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.964 -9.074 -14.364 1.00 0.00 H new ATOM 0 HG LEU A 85 3.532 -11.150 -15.020 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.219 -12.849 -16.226 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.856 -12.850 -14.484 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.716 -12.107 -15.630 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.883 -10.754 -17.363 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.406 -9.928 -16.810 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.004 -9.233 -16.446 1.00 0.00 H new ATOM 1324 N LEU A 86 3.552 -8.248 -12.193 1.00 0.00 N ATOM 1325 CA LEU A 86 4.671 -7.327 -11.997 1.00 0.00 C ATOM 1326 C LEU A 86 5.070 -7.259 -10.523 1.00 0.00 C ATOM 1327 O LEU A 86 4.773 -6.283 -9.830 1.00 0.00 O ATOM 1328 CB LEU A 86 4.312 -5.933 -12.522 1.00 0.00 C ATOM 1329 CG LEU A 86 4.731 -5.656 -13.970 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.044 -6.622 -14.924 1.00 0.00 C ATOM 1331 CD2 LEU A 86 4.420 -4.216 -14.348 1.00 0.00 C ATOM 0 H LEU A 86 2.634 -7.841 -12.014 1.00 0.00 H new ATOM 0 HA LEU A 86 5.525 -7.702 -12.561 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.234 -5.797 -12.440 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.777 -5.188 -11.877 1.00 0.00 H new ATOM 0 HG LEU A 86 5.807 -5.808 -14.050 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.356 -6.407 -15.946 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.320 -7.645 -14.668 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.963 -6.507 -14.843 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.724 -4.037 -15.379 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.349 -4.037 -14.249 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.963 -3.541 -13.687 1.00 0.00 H new ATOM 1343 N ASN A 87 5.751 -8.307 -10.056 1.00 0.00 N ATOM 1344 CA ASN A 87 6.205 -8.377 -8.667 1.00 0.00 C ATOM 1345 C ASN A 87 7.601 -7.778 -8.512 1.00 0.00 C ATOM 1346 O ASN A 87 7.975 -7.338 -7.425 1.00 0.00 O ATOM 1347 CB ASN A 87 6.188 -9.827 -8.163 1.00 0.00 C ATOM 1348 CG ASN A 87 7.161 -10.720 -8.910 1.00 0.00 C ATOM 1349 OD1 ASN A 87 6.773 -11.457 -9.815 1.00 0.00 O ATOM 1350 ND2 ASN A 87 8.434 -10.654 -8.534 1.00 0.00 N ATOM 0 H ASN A 87 6.000 -9.119 -10.620 1.00 0.00 H new ATOM 0 HA ASN A 87 5.515 -7.790 -8.062 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.432 -9.841 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.180 -10.230 -8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.134 -11.229 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.711 -10.028 -7.778 1.00 0.00 H new ATOM 1357 N MET A 88 8.367 -7.751 -9.606 1.00 0.00 N ATOM 1358 CA MET A 88 9.714 -7.185 -9.576 1.00 0.00 C ATOM 1359 C MET A 88 9.672 -5.719 -9.141 1.00 0.00 C ATOM 1360 O MET A 88 10.647 -5.198 -8.599 1.00 0.00 O ATOM 1361 CB MET A 88 10.385 -7.303 -10.951 1.00 0.00 C ATOM 1362 CG MET A 88 9.663 -6.546 -12.057 1.00 0.00 C ATOM 1363 SD MET A 88 10.418 -6.793 -13.676 1.00 0.00 S ATOM 1364 CE MET A 88 8.976 -7.174 -14.668 1.00 0.00 C ATOM 0 H MET A 88 8.079 -8.112 -10.515 1.00 0.00 H new ATOM 0 HA MET A 88 10.300 -7.751 -8.852 1.00 0.00 H new ATOM 0 HB2 MET A 88 11.408 -6.932 -10.878 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.446 -8.356 -11.225 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.622 -6.868 -12.093 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.659 -5.482 -11.821 1.00 0.00 H new ATOM 0 HE1 MET A 88 9.281 -7.353 -15.699 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.489 -8.066 -14.274 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.280 -6.336 -14.635 1.00 0.00 H new ATOM 1374 N GLU A 89 8.532 -5.062 -9.379 1.00 0.00 N ATOM 1375 CA GLU A 89 8.363 -3.658 -9.012 1.00 0.00 C ATOM 1376 C GLU A 89 7.809 -3.490 -7.604 1.00 0.00 C ATOM 1377 O GLU A 89 7.609 -2.359 -7.154 1.00 0.00 O ATOM 1378 CB GLU A 89 7.470 -2.940 -10.027 1.00 0.00 C ATOM 1379 CG GLU A 89 8.244 -2.279 -11.159 1.00 0.00 C ATOM 1380 CD GLU A 89 7.625 -2.527 -12.522 1.00 0.00 C ATOM 1381 OE1 GLU A 89 7.441 -3.710 -12.885 1.00 0.00 O ATOM 1382 OE2 GLU A 89 7.323 -1.540 -13.225 1.00 0.00 O ATOM 0 H GLU A 89 7.716 -5.482 -9.824 1.00 0.00 H new ATOM 0 HA GLU A 89 9.354 -3.203 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.766 -3.656 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.882 -2.182 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.295 -1.205 -10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.268 -2.651 -11.158 1.00 0.00 H new ATOM 1389 N ASN A 90 7.594 -4.597 -6.891 1.00 0.00 N ATOM 1390 CA ASN A 90 7.111 -4.517 -5.520 1.00 0.00 C ATOM 1391 C ASN A 90 8.010 -3.568 -4.732 1.00 0.00 C ATOM 1392 O ASN A 90 7.556 -2.882 -3.817 1.00 0.00 O ATOM 1393 CB ASN A 90 7.104 -5.897 -4.857 1.00 0.00 C ATOM 1394 CG ASN A 90 6.048 -6.824 -5.428 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.204 -6.412 -6.225 1.00 0.00 O ATOM 1396 ND2 ASN A 90 6.090 -8.088 -5.024 1.00 0.00 N ATOM 0 H ASN A 90 7.745 -5.544 -7.237 1.00 0.00 H new ATOM 0 HA ASN A 90 6.087 -4.143 -5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.085 -6.356 -4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.935 -5.779 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.406 -8.759 -5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.806 -8.388 -4.362 1.00 0.00 H new ATOM 1403 N TYR A 91 9.297 -3.535 -5.119 1.00 0.00 N ATOM 1404 CA TYR A 91 10.286 -2.672 -4.486 1.00 0.00 C ATOM 1405 C TYR A 91 10.160 -2.708 -2.966 1.00 0.00 C ATOM 1406 O TYR A 91 10.356 -1.699 -2.283 1.00 0.00 O ATOM 1407 CB TYR A 91 10.149 -1.243 -5.021 1.00 0.00 C ATOM 1408 CG TYR A 91 11.358 -0.376 -4.755 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.636 -0.847 -5.018 1.00 0.00 C ATOM 1410 CD2 TYR A 91 11.222 0.908 -4.245 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.744 -0.067 -4.778 1.00 0.00 C ATOM 1412 CE2 TYR A 91 12.329 1.696 -4.002 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.589 1.205 -4.270 1.00 0.00 C ATOM 1414 OH TYR A 91 14.696 1.987 -4.032 1.00 0.00 O ATOM 0 H TYR A 91 9.671 -4.106 -5.877 1.00 0.00 H new ATOM 0 HA TYR A 91 11.280 -3.043 -4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.971 -1.282 -6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.273 -0.778 -4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.763 -1.842 -5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.236 1.296 -4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.732 -0.450 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.209 2.693 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 91 14.413 2.855 -3.676 1.00 0.00 H new ATOM 1424 N LEU A 92 9.837 -3.889 -2.447 1.00 0.00 N ATOM 1425 CA LEU A 92 9.691 -4.073 -1.005 1.00 0.00 C ATOM 1426 C LEU A 92 11.010 -3.790 -0.291 1.00 0.00 C ATOM 1427 O LEU A 92 12.044 -4.370 -0.626 1.00 0.00 O ATOM 1428 CB LEU A 92 9.214 -5.487 -0.648 1.00 0.00 C ATOM 1429 CG LEU A 92 9.769 -6.624 -1.516 1.00 0.00 C ATOM 1430 CD1 LEU A 92 10.883 -7.364 -0.788 1.00 0.00 C ATOM 1431 CD2 LEU A 92 8.656 -7.589 -1.911 1.00 0.00 C ATOM 0 H LEU A 92 9.672 -4.730 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 92 8.932 -3.364 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.479 -5.687 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.126 -5.508 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 92 10.185 -6.187 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.262 -8.166 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.692 -6.670 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.494 -7.787 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.069 -8.388 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.209 -8.016 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.893 -7.053 -2.476 1.00 0.00 H new ATOM 1443 N VAL A 93 10.959 -2.902 0.695 1.00 0.00 N ATOM 1444 CA VAL A 93 12.142 -2.542 1.468 1.00 0.00 C ATOM 1445 C VAL A 93 12.224 -3.382 2.744 1.00 0.00 C ATOM 1446 O VAL A 93 11.484 -3.143 3.700 1.00 0.00 O ATOM 1447 CB VAL A 93 12.141 -1.041 1.840 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.472 -0.637 2.459 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.830 -0.180 0.620 1.00 0.00 C ATOM 0 H VAL A 93 10.108 -2.416 0.979 1.00 0.00 H new ATOM 0 HA VAL A 93 13.012 -2.743 0.843 1.00 0.00 H new ATOM 0 HB VAL A 93 11.358 -0.877 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.449 0.423 2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.646 -1.223 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.276 -0.822 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.835 0.872 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.585 -0.351 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.848 -0.445 0.228 1.00 0.00 H new ATOM 1459 N PRO A 94 13.122 -4.389 2.773 1.00 0.00 N ATOM 1460 CA PRO A 94 13.289 -5.269 3.934 1.00 0.00 C ATOM 1461 C PRO A 94 14.000 -4.579 5.095 1.00 0.00 C ATOM 1462 O PRO A 94 15.070 -3.990 4.916 1.00 0.00 O ATOM 1463 CB PRO A 94 14.145 -6.414 3.388 1.00 0.00 C ATOM 1464 CG PRO A 94 14.927 -5.800 2.281 1.00 0.00 C ATOM 1465 CD PRO A 94 14.036 -4.753 1.671 1.00 0.00 C ATOM 0 HA PRO A 94 12.330 -5.589 4.342 1.00 0.00 H new ATOM 0 HB2 PRO A 94 14.800 -6.822 4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.526 -7.236 3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.850 -5.356 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.210 -6.549 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.608 -3.893 1.324 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.492 -5.142 0.811 1.00 0.00 H new