USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 13 TYR OH : rot 166:sc= 0.0209 USER MOD Set 1.2: A 16 LYS NZ :NH3+ -117:sc= 1.49 (180deg=0.314) USER MOD Single : A 12 SER OG : rot 24:sc= 0.0917 USER MOD Single : A 15 ASN : amide:sc=-0.000515 K(o=-0.00052,f=-0.92) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.349 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 153:sc= -1.7! USER MOD Single : A 30 SER OG : rot 71:sc= 1.04 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 37 THR OG1 : rot 86:sc=0.000845 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.6!) USER MOD Single : A 60 THR OG1 : rot 56:sc= 1.28 USER MOD Single : A 64 ASN : amide:sc= 0.459 K(o=0.46,f=-4.3!) USER MOD Single : A 69 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.91) USER MOD Single : A 74 SER OG : rot 86:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.813 1.394 1.321 1.00 0.00 N ATOM 159 CA SER A 12 13.348 2.471 0.513 1.00 0.00 C ATOM 160 C SER A 12 12.232 3.376 -0.039 1.00 0.00 C ATOM 161 O SER A 12 12.331 4.614 0.037 1.00 0.00 O ATOM 162 CB SER A 12 14.216 1.905 -0.606 1.00 0.00 C ATOM 163 OG SER A 12 15.271 1.104 -0.074 1.00 0.00 O ATOM 0 HA SER A 12 13.973 3.098 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.603 1.306 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.635 2.721 -1.196 1.00 0.00 H new ATOM 0 HG SER A 12 15.016 0.773 0.812 1.00 0.00 H new ATOM 169 N TYR A 13 11.165 2.776 -0.543 1.00 0.00 N ATOM 170 CA TYR A 13 10.054 3.557 -1.026 1.00 0.00 C ATOM 171 C TYR A 13 9.183 4.065 0.100 1.00 0.00 C ATOM 172 O TYR A 13 8.655 5.165 0.024 1.00 0.00 O ATOM 173 CB TYR A 13 9.257 2.848 -2.116 1.00 0.00 C ATOM 174 CG TYR A 13 9.497 3.478 -3.464 1.00 0.00 C ATOM 175 CD1 TYR A 13 10.673 3.247 -4.161 1.00 0.00 C ATOM 176 CD2 TYR A 13 8.561 4.342 -4.022 1.00 0.00 C ATOM 177 CE1 TYR A 13 10.911 3.860 -5.373 1.00 0.00 C ATOM 178 CE2 TYR A 13 8.788 4.952 -5.238 1.00 0.00 C ATOM 179 CZ TYR A 13 9.968 4.709 -5.906 1.00 0.00 C ATOM 180 OH TYR A 13 10.212 5.329 -7.100 1.00 0.00 O ATOM 0 H TYR A 13 11.052 1.766 -0.625 1.00 0.00 H new ATOM 0 HA TYR A 13 10.484 4.436 -1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.537 1.795 -2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.194 2.888 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.413 2.577 -3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.640 4.539 -3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.834 3.675 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.048 5.614 -5.662 1.00 0.00 H new ATOM 0 HH TYR A 13 9.378 5.707 -7.449 1.00 0.00 H new ATOM 190 N VAL A 14 9.069 3.294 1.154 1.00 0.00 N ATOM 191 CA VAL A 14 8.324 3.714 2.323 1.00 0.00 C ATOM 192 C VAL A 14 8.992 4.926 2.979 1.00 0.00 C ATOM 193 O VAL A 14 8.325 5.878 3.330 1.00 0.00 O ATOM 194 CB VAL A 14 8.149 2.568 3.355 1.00 0.00 C ATOM 195 CG1 VAL A 14 7.508 3.085 4.615 1.00 0.00 C ATOM 196 CG2 VAL A 14 7.289 1.465 2.779 1.00 0.00 C ATOM 0 H VAL A 14 9.485 2.366 1.229 1.00 0.00 H new ATOM 0 HA VAL A 14 7.328 3.996 1.983 1.00 0.00 H new ATOM 0 HB VAL A 14 9.137 2.173 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.393 2.267 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.137 3.861 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.529 3.502 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.176 0.669 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.308 1.865 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.763 1.065 1.882 1.00 0.00 H new ATOM 206 N ASN A 15 10.313 4.887 3.109 1.00 0.00 N ATOM 207 CA ASN A 15 11.092 5.951 3.665 1.00 0.00 C ATOM 208 C ASN A 15 10.946 7.205 2.810 1.00 0.00 C ATOM 209 O ASN A 15 10.931 8.336 3.318 1.00 0.00 O ATOM 210 CB ASN A 15 12.532 5.515 3.649 1.00 0.00 C ATOM 211 CG ASN A 15 13.419 6.434 4.390 1.00 0.00 C ATOM 212 OD1 ASN A 15 13.018 7.087 5.348 1.00 0.00 O ATOM 213 ND2 ASN A 15 14.616 6.497 3.973 1.00 0.00 N ATOM 0 H ASN A 15 10.873 4.086 2.818 1.00 0.00 H new ATOM 0 HA ASN A 15 10.757 6.174 4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.609 4.517 4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.873 5.443 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.287 7.108 4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.907 5.936 3.172 1.00 0.00 H new ATOM 220 N LYS A 16 10.833 6.987 1.512 1.00 0.00 N ATOM 221 CA LYS A 16 10.630 8.034 0.559 1.00 0.00 C ATOM 222 C LYS A 16 9.273 8.690 0.835 1.00 0.00 C ATOM 223 O LYS A 16 9.175 9.911 0.932 1.00 0.00 O ATOM 224 CB LYS A 16 10.681 7.420 -0.829 1.00 0.00 C ATOM 225 CG LYS A 16 10.686 8.392 -1.959 1.00 0.00 C ATOM 226 CD LYS A 16 10.795 7.650 -3.267 1.00 0.00 C ATOM 227 CE LYS A 16 11.085 8.601 -4.396 1.00 0.00 C ATOM 228 NZ LYS A 16 11.162 7.927 -5.709 1.00 0.00 N ATOM 0 H LYS A 16 10.882 6.057 1.096 1.00 0.00 H new ATOM 0 HA LYS A 16 11.400 8.802 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.575 6.801 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.824 6.757 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.773 8.988 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.521 9.085 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.586 6.903 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.867 7.115 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.308 9.365 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.027 9.113 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.120 8.034 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.946 6.916 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.474 8.356 -6.360 1.00 0.00 H new ATOM 242 N ILE A 17 8.249 7.852 1.018 1.00 0.00 N ATOM 243 CA ILE A 17 6.919 8.293 1.380 1.00 0.00 C ATOM 244 C ILE A 17 6.973 9.071 2.697 1.00 0.00 C ATOM 245 O ILE A 17 6.444 10.183 2.791 1.00 0.00 O ATOM 246 CB ILE A 17 5.968 7.078 1.557 1.00 0.00 C ATOM 247 CG1 ILE A 17 5.779 6.314 0.242 1.00 0.00 C ATOM 248 CG2 ILE A 17 4.637 7.516 2.117 1.00 0.00 C ATOM 249 CD1 ILE A 17 4.946 5.053 0.383 1.00 0.00 C ATOM 0 H ILE A 17 8.331 6.840 0.916 1.00 0.00 H new ATOM 0 HA ILE A 17 6.542 8.931 0.581 1.00 0.00 H new ATOM 0 HB ILE A 17 6.434 6.397 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.305 6.973 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.758 6.049 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.987 6.648 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.788 7.988 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.172 8.229 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.856 4.566 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.429 4.374 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.954 5.312 0.753 1.00 0.00 H new ATOM 261 N LYS A 18 7.658 8.483 3.694 1.00 0.00 N ATOM 262 CA LYS A 18 7.798 9.081 5.024 1.00 0.00 C ATOM 263 C LYS A 18 8.329 10.485 4.913 1.00 0.00 C ATOM 264 O LYS A 18 7.814 11.360 5.494 1.00 0.00 O ATOM 265 CB LYS A 18 8.785 8.312 5.925 1.00 0.00 C ATOM 266 CG LYS A 18 8.433 6.915 6.263 1.00 0.00 C ATOM 267 CD LYS A 18 9.413 6.372 7.269 1.00 0.00 C ATOM 268 CE LYS A 18 9.225 4.904 7.452 1.00 0.00 C ATOM 269 NZ LYS A 18 10.042 4.370 8.552 1.00 0.00 N ATOM 0 H LYS A 18 8.127 7.583 3.596 1.00 0.00 H new ATOM 0 HA LYS A 18 6.802 9.052 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.759 8.308 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.899 8.868 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.422 6.873 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.443 6.300 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.431 6.574 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.282 6.882 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.173 4.696 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.483 4.389 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.878 3.347 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.048 4.543 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.779 4.842 9.441 1.00 0.00 H new ATOM 283 N THR A 19 9.362 10.643 4.125 1.00 0.00 N ATOM 284 CA THR A 19 10.058 11.877 3.913 1.00 0.00 C ATOM 285 C THR A 19 9.209 12.916 3.143 1.00 0.00 C ATOM 286 O THR A 19 9.221 14.119 3.453 1.00 0.00 O ATOM 287 CB THR A 19 11.325 11.511 3.128 1.00 0.00 C ATOM 288 OG1 THR A 19 12.299 10.865 3.964 1.00 0.00 O ATOM 289 CG2 THR A 19 11.896 12.650 2.337 1.00 0.00 C ATOM 0 H THR A 19 9.757 9.871 3.588 1.00 0.00 H new ATOM 0 HA THR A 19 10.290 12.351 4.867 1.00 0.00 H new ATOM 0 HB THR A 19 11.016 10.784 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.126 9.901 3.983 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.789 12.315 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.157 12.998 1.615 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.157 13.466 3.011 1.00 0.00 H new ATOM 297 N ARG A 20 8.491 12.458 2.172 1.00 0.00 N ATOM 298 CA ARG A 20 7.696 13.322 1.336 1.00 0.00 C ATOM 299 C ARG A 20 6.469 13.833 2.055 1.00 0.00 C ATOM 300 O ARG A 20 5.983 14.935 1.796 1.00 0.00 O ATOM 301 CB ARG A 20 7.345 12.581 0.070 1.00 0.00 C ATOM 302 CG ARG A 20 8.518 12.461 -0.896 1.00 0.00 C ATOM 303 CD ARG A 20 8.908 13.815 -1.463 1.00 0.00 C ATOM 304 NE ARG A 20 9.824 13.696 -2.605 1.00 0.00 N ATOM 305 CZ ARG A 20 10.246 14.716 -3.374 1.00 0.00 C ATOM 306 NH1 ARG A 20 10.013 15.974 -3.015 1.00 0.00 N ATOM 307 NH2 ARG A 20 10.941 14.469 -4.481 1.00 0.00 N ATOM 0 H ARG A 20 8.433 11.469 1.927 1.00 0.00 H new ATOM 0 HA ARG A 20 8.277 14.208 1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.990 11.583 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.522 13.094 -0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.372 12.020 -0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.254 11.786 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.010 14.349 -1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.379 14.412 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 20 10.168 12.764 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.510 16.173 -2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.337 16.741 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.153 13.507 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.262 15.241 -5.065 1.00 0.00 H new ATOM 321 N PHE A 21 5.995 13.057 2.967 1.00 0.00 N ATOM 322 CA PHE A 21 4.839 13.394 3.743 1.00 0.00 C ATOM 323 C PHE A 21 5.257 13.408 5.206 1.00 0.00 C ATOM 324 O PHE A 21 4.485 13.117 6.100 1.00 0.00 O ATOM 325 CB PHE A 21 3.746 12.360 3.472 1.00 0.00 C ATOM 326 CG PHE A 21 3.370 12.248 2.000 1.00 0.00 C ATOM 327 CD1 PHE A 21 2.385 13.050 1.456 1.00 0.00 C ATOM 328 CD2 PHE A 21 4.001 11.332 1.173 1.00 0.00 C ATOM 329 CE1 PHE A 21 2.035 12.938 0.124 1.00 0.00 C ATOM 330 CE2 PHE A 21 3.661 11.216 -0.150 1.00 0.00 C ATOM 331 CZ PHE A 21 2.672 12.017 -0.679 1.00 0.00 C ATOM 0 H PHE A 21 6.403 12.153 3.203 1.00 0.00 H new ATOM 0 HA PHE A 21 4.441 14.374 3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.081 11.386 3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.858 12.622 4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.882 13.774 2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.775 10.698 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.263 13.572 -0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.168 10.498 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.397 11.923 -1.719 1.00 0.00 H new ATOM 341 N LEU A 22 6.485 13.848 5.415 1.00 0.00 N ATOM 342 CA LEU A 22 7.158 13.840 6.712 1.00 0.00 C ATOM 343 C LEU A 22 6.483 14.773 7.690 1.00 0.00 C ATOM 344 O LEU A 22 6.398 14.496 8.892 1.00 0.00 O ATOM 345 CB LEU A 22 8.627 14.247 6.495 1.00 0.00 C ATOM 346 CG LEU A 22 9.699 13.354 7.068 1.00 0.00 C ATOM 347 CD1 LEU A 22 11.067 13.907 6.752 1.00 0.00 C ATOM 348 CD2 LEU A 22 9.528 13.220 8.523 1.00 0.00 C ATOM 0 H LEU A 22 7.063 14.233 4.668 1.00 0.00 H new ATOM 0 HA LEU A 22 7.105 12.840 7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.797 14.327 5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.763 15.244 6.914 1.00 0.00 H new ATOM 0 HG LEU A 22 9.608 12.367 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.830 13.252 7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.195 13.967 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.166 14.903 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.309 12.573 8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.597 14.203 8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.552 12.785 8.736 1.00 0.00 H new ATOM 360 N ASP A 23 5.972 15.848 7.164 1.00 0.00 N ATOM 361 CA ASP A 23 5.327 16.865 7.962 1.00 0.00 C ATOM 362 C ASP A 23 3.826 16.566 8.053 1.00 0.00 C ATOM 363 O ASP A 23 3.066 17.262 8.731 1.00 0.00 O ATOM 364 CB ASP A 23 5.584 18.229 7.311 1.00 0.00 C ATOM 365 CG ASP A 23 5.152 19.403 8.146 1.00 0.00 C ATOM 366 OD1 ASP A 23 5.914 19.818 9.051 1.00 0.00 O ATOM 367 OD2 ASP A 23 4.079 19.975 7.885 1.00 0.00 O ATOM 0 H ASP A 23 5.988 16.050 6.164 1.00 0.00 H new ATOM 0 HA ASP A 23 5.730 16.875 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.649 18.322 7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.062 18.266 6.355 1.00 0.00 H new ATOM 372 N HIS A 24 3.414 15.488 7.405 1.00 0.00 N ATOM 373 CA HIS A 24 2.018 15.093 7.339 1.00 0.00 C ATOM 374 C HIS A 24 1.856 13.610 7.752 1.00 0.00 C ATOM 375 O HIS A 24 1.598 12.747 6.898 1.00 0.00 O ATOM 376 CB HIS A 24 1.491 15.276 5.909 1.00 0.00 C ATOM 377 CG HIS A 24 1.522 16.679 5.370 1.00 0.00 C ATOM 378 ND1 HIS A 24 2.592 17.222 4.681 1.00 0.00 N ATOM 379 CD2 HIS A 24 0.581 17.642 5.411 1.00 0.00 C ATOM 380 CE1 HIS A 24 2.275 18.469 4.338 1.00 0.00 C ATOM 381 NE2 HIS A 24 1.058 18.780 4.757 1.00 0.00 N ATOM 0 H HIS A 24 4.044 14.859 6.907 1.00 0.00 H new ATOM 0 HA HIS A 24 1.449 15.721 8.025 1.00 0.00 H new ATOM 0 HB2 HIS A 24 2.074 14.639 5.244 1.00 0.00 H new ATOM 0 HB3 HIS A 24 0.463 14.917 5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.389 17.549 5.876 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.924 19.137 3.791 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.570 19.667 4.629 1.00 0.00 H new ATOM 389 N PRO A 25 1.991 13.288 9.061 1.00 0.00 N ATOM 390 CA PRO A 25 1.959 11.895 9.554 1.00 0.00 C ATOM 391 C PRO A 25 0.649 11.171 9.248 1.00 0.00 C ATOM 392 O PRO A 25 0.637 9.946 9.065 1.00 0.00 O ATOM 393 CB PRO A 25 2.141 12.038 11.068 1.00 0.00 C ATOM 394 CG PRO A 25 2.762 13.377 11.249 1.00 0.00 C ATOM 395 CD PRO A 25 2.193 14.240 10.165 1.00 0.00 C ATOM 0 HA PRO A 25 2.727 11.293 9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.186 11.971 11.590 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.778 11.249 11.466 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.533 13.784 12.234 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.848 13.318 11.173 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.258 14.709 10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.876 15.043 9.887 1.00 0.00 H new ATOM 403 N GLU A 26 -0.446 11.933 9.174 1.00 0.00 N ATOM 404 CA GLU A 26 -1.758 11.390 8.895 1.00 0.00 C ATOM 405 C GLU A 26 -1.765 10.622 7.564 1.00 0.00 C ATOM 406 O GLU A 26 -2.263 9.526 7.494 1.00 0.00 O ATOM 407 CB GLU A 26 -2.806 12.511 8.854 1.00 0.00 C ATOM 408 CG GLU A 26 -2.580 13.507 7.733 1.00 0.00 C ATOM 409 CD GLU A 26 -3.657 14.533 7.604 1.00 0.00 C ATOM 410 OE1 GLU A 26 -4.793 14.163 7.269 1.00 0.00 O ATOM 411 OE2 GLU A 26 -3.374 15.739 7.788 1.00 0.00 O ATOM 0 H GLU A 26 -0.437 12.944 9.308 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.009 10.696 9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.796 12.069 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.799 13.040 9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.629 14.013 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.495 12.965 6.791 1.00 0.00 H new ATOM 418 N ILE A 27 -1.120 11.198 6.557 1.00 0.00 N ATOM 419 CA ILE A 27 -1.081 10.682 5.197 1.00 0.00 C ATOM 420 C ILE A 27 -0.447 9.315 5.167 1.00 0.00 C ATOM 421 O ILE A 27 -0.994 8.368 4.592 1.00 0.00 O ATOM 422 CB ILE A 27 -0.293 11.683 4.321 1.00 0.00 C ATOM 423 CG1 ILE A 27 -1.077 13.005 4.271 1.00 0.00 C ATOM 424 CG2 ILE A 27 0.006 11.138 2.928 1.00 0.00 C ATOM 425 CD1 ILE A 27 -0.505 14.041 3.350 1.00 0.00 C ATOM 0 H ILE A 27 -0.594 12.064 6.669 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.093 10.576 4.807 1.00 0.00 H new ATOM 0 HB ILE A 27 0.685 11.855 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.101 12.792 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.125 13.421 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.561 11.883 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.601 10.229 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.930 10.912 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.124 14.937 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.508 14.289 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.483 13.651 2.332 1.00 0.00 H new ATOM 437 N TYR A 28 0.663 9.216 5.847 1.00 0.00 N ATOM 438 CA TYR A 28 1.415 7.994 5.965 1.00 0.00 C ATOM 439 C TYR A 28 0.520 6.900 6.574 1.00 0.00 C ATOM 440 O TYR A 28 0.386 5.796 6.038 1.00 0.00 O ATOM 441 CB TYR A 28 2.595 8.260 6.897 1.00 0.00 C ATOM 442 CG TYR A 28 3.580 7.143 6.984 1.00 0.00 C ATOM 443 CD1 TYR A 28 4.469 6.884 5.951 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.606 6.325 8.092 1.00 0.00 C ATOM 445 CE1 TYR A 28 5.346 5.834 6.029 1.00 0.00 C ATOM 446 CE2 TYR A 28 4.487 5.286 8.181 1.00 0.00 C ATOM 447 CZ TYR A 28 5.349 5.036 7.159 1.00 0.00 C ATOM 448 OH TYR A 28 6.214 3.982 7.260 1.00 0.00 O ATOM 0 H TYR A 28 1.080 10.001 6.347 1.00 0.00 H new ATOM 0 HA TYR A 28 1.765 7.664 4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.112 9.158 6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.212 8.469 7.896 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.470 7.517 5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.918 6.509 8.904 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.028 5.631 5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.500 4.663 9.063 1.00 0.00 H new ATOM 0 HH TYR A 28 6.400 3.801 8.205 1.00 0.00 H new ATOM 458 N ARG A 29 -0.131 7.261 7.655 1.00 0.00 N ATOM 459 CA ARG A 29 -0.957 6.357 8.423 1.00 0.00 C ATOM 460 C ARG A 29 -2.236 5.957 7.699 1.00 0.00 C ATOM 461 O ARG A 29 -2.619 4.782 7.714 1.00 0.00 O ATOM 462 CB ARG A 29 -1.283 6.990 9.737 1.00 0.00 C ATOM 463 CG ARG A 29 -0.076 7.143 10.605 1.00 0.00 C ATOM 464 CD ARG A 29 -0.332 8.141 11.670 1.00 0.00 C ATOM 465 NE ARG A 29 0.783 8.242 12.598 1.00 0.00 N ATOM 466 CZ ARG A 29 0.747 8.857 13.769 1.00 0.00 C ATOM 467 NH1 ARG A 29 -0.374 9.429 14.193 1.00 0.00 N ATOM 468 NH2 ARG A 29 1.835 8.896 14.519 1.00 0.00 N ATOM 0 H ARG A 29 -0.101 8.208 8.033 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.389 5.439 8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.732 7.969 9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.027 6.385 10.255 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.183 6.183 11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.777 7.455 10.002 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.517 9.115 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.235 7.866 12.216 1.00 0.00 H new ATOM 0 HE ARG A 29 1.663 7.804 12.325 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.214 9.396 13.615 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.395 9.902 15.097 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.695 8.454 14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.815 9.368 15.423 1.00 0.00 H new ATOM 482 N SER A 30 -2.885 6.934 7.060 1.00 0.00 N ATOM 483 CA SER A 30 -4.118 6.703 6.324 1.00 0.00 C ATOM 484 C SER A 30 -3.906 5.690 5.198 1.00 0.00 C ATOM 485 O SER A 30 -4.830 4.999 4.779 1.00 0.00 O ATOM 486 CB SER A 30 -4.676 8.029 5.787 1.00 0.00 C ATOM 487 OG SER A 30 -4.917 8.949 6.852 1.00 0.00 O ATOM 0 H SER A 30 -2.567 7.903 7.042 1.00 0.00 H new ATOM 0 HA SER A 30 -4.853 6.278 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.972 8.464 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.603 7.845 5.244 1.00 0.00 H new ATOM 0 HG SER A 30 -4.062 9.265 7.211 1.00 0.00 H new ATOM 493 N PHE A 31 -2.709 5.656 4.665 1.00 0.00 N ATOM 494 CA PHE A 31 -2.358 4.651 3.713 1.00 0.00 C ATOM 495 C PHE A 31 -2.092 3.283 4.363 1.00 0.00 C ATOM 496 O PHE A 31 -2.581 2.259 3.881 1.00 0.00 O ATOM 497 CB PHE A 31 -1.220 5.094 2.808 1.00 0.00 C ATOM 498 CG PHE A 31 -0.536 3.937 2.152 1.00 0.00 C ATOM 499 CD1 PHE A 31 -1.156 3.252 1.129 1.00 0.00 C ATOM 500 CD2 PHE A 31 0.697 3.505 2.601 1.00 0.00 C ATOM 501 CE1 PHE A 31 -0.564 2.156 0.553 1.00 0.00 C ATOM 502 CE2 PHE A 31 1.309 2.408 2.024 1.00 0.00 C ATOM 503 CZ PHE A 31 0.676 1.729 0.995 1.00 0.00 C ATOM 0 H PHE A 31 -1.964 6.319 4.880 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.231 4.515 3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.608 5.766 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.494 5.660 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.122 3.583 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.187 4.028 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.065 1.627 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.277 2.081 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.148 0.871 0.540 1.00 0.00 H new ATOM 513 N LEU A 32 -1.306 3.275 5.440 1.00 0.00 N ATOM 514 CA LEU A 32 -0.916 2.048 6.150 1.00 0.00 C ATOM 515 C LEU A 32 -2.112 1.195 6.502 1.00 0.00 C ATOM 516 O LEU A 32 -2.068 -0.047 6.410 1.00 0.00 O ATOM 517 CB LEU A 32 -0.170 2.407 7.424 1.00 0.00 C ATOM 518 CG LEU A 32 1.200 3.029 7.264 1.00 0.00 C ATOM 519 CD1 LEU A 32 1.752 3.343 8.622 1.00 0.00 C ATOM 520 CD2 LEU A 32 2.144 2.101 6.503 1.00 0.00 C ATOM 0 H LEU A 32 -0.917 4.124 5.850 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.274 1.474 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.790 3.096 7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.064 1.501 8.021 1.00 0.00 H new ATOM 0 HG LEU A 32 1.108 3.946 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.740 3.792 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.088 4.041 9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.830 2.425 9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.120 2.576 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.250 1.163 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.736 1.900 5.512 1.00 0.00 H new ATOM 532 N GLU A 33 -3.179 1.862 6.851 1.00 0.00 N ATOM 533 CA GLU A 33 -4.390 1.225 7.259 1.00 0.00 C ATOM 534 C GLU A 33 -5.047 0.460 6.101 1.00 0.00 C ATOM 535 O GLU A 33 -5.701 -0.555 6.320 1.00 0.00 O ATOM 536 CB GLU A 33 -5.314 2.254 7.880 1.00 0.00 C ATOM 537 CG GLU A 33 -6.000 3.216 6.927 1.00 0.00 C ATOM 538 CD GLU A 33 -6.708 4.299 7.691 1.00 0.00 C ATOM 539 OE1 GLU A 33 -6.062 5.264 8.111 1.00 0.00 O ATOM 540 OE2 GLU A 33 -7.928 4.175 7.942 1.00 0.00 O ATOM 0 H GLU A 33 -3.226 2.881 6.858 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.163 0.473 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.084 1.725 8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.739 2.838 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.264 3.658 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.714 2.675 6.306 1.00 0.00 H new ATOM 547 N ILE A 34 -4.818 0.921 4.884 1.00 0.00 N ATOM 548 CA ILE A 34 -5.361 0.318 3.700 1.00 0.00 C ATOM 549 C ILE A 34 -4.701 -1.013 3.447 1.00 0.00 C ATOM 550 O ILE A 34 -5.371 -1.987 3.181 1.00 0.00 O ATOM 551 CB ILE A 34 -5.171 1.260 2.495 1.00 0.00 C ATOM 552 CG1 ILE A 34 -5.968 2.541 2.745 1.00 0.00 C ATOM 553 CG2 ILE A 34 -5.566 0.576 1.182 1.00 0.00 C ATOM 554 CD1 ILE A 34 -5.673 3.656 1.789 1.00 0.00 C ATOM 0 H ILE A 34 -4.238 1.739 4.698 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.429 0.150 3.842 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.117 1.517 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.031 2.308 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.767 2.887 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.420 1.268 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.946 -0.307 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.614 0.280 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.283 4.523 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.618 3.923 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.903 3.335 0.773 1.00 0.00 H new ATOM 566 N LEU A 35 -3.387 -1.067 3.572 1.00 0.00 N ATOM 567 CA LEU A 35 -2.670 -2.308 3.366 1.00 0.00 C ATOM 568 C LEU A 35 -3.002 -3.291 4.498 1.00 0.00 C ATOM 569 O LEU A 35 -3.096 -4.508 4.287 1.00 0.00 O ATOM 570 CB LEU A 35 -1.176 -2.033 3.289 1.00 0.00 C ATOM 571 CG LEU A 35 -0.443 -2.593 2.066 1.00 0.00 C ATOM 572 CD1 LEU A 35 -0.461 -4.115 2.048 1.00 0.00 C ATOM 573 CD2 LEU A 35 -1.037 -2.041 0.778 1.00 0.00 C ATOM 0 H LEU A 35 -2.799 -0.269 3.814 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.978 -2.760 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.026 -0.954 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.707 -2.440 4.185 1.00 0.00 H new ATOM 0 HG LEU A 35 0.596 -2.272 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.069 -4.475 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.028 -4.495 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.492 -4.466 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.500 -2.453 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.089 -2.319 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.948 -0.955 0.773 1.00 0.00 H new ATOM 585 N HIS A 36 -3.219 -2.737 5.679 1.00 0.00 N ATOM 586 CA HIS A 36 -3.651 -3.497 6.844 1.00 0.00 C ATOM 587 C HIS A 36 -5.019 -4.133 6.547 1.00 0.00 C ATOM 588 O HIS A 36 -5.240 -5.321 6.782 1.00 0.00 O ATOM 589 CB HIS A 36 -3.737 -2.548 8.055 1.00 0.00 C ATOM 590 CG HIS A 36 -4.235 -3.171 9.323 1.00 0.00 C ATOM 591 ND1 HIS A 36 -5.411 -2.808 9.945 1.00 0.00 N ATOM 592 CD2 HIS A 36 -3.686 -4.132 10.092 1.00 0.00 C ATOM 593 CE1 HIS A 36 -5.538 -3.542 11.047 1.00 0.00 C ATOM 594 NE2 HIS A 36 -4.511 -4.369 11.185 1.00 0.00 N ATOM 0 H HIS A 36 -3.100 -1.740 5.859 1.00 0.00 H new ATOM 0 HA HIS A 36 -2.939 -4.291 7.071 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.747 -2.130 8.239 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.391 -1.715 7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.753 -4.638 9.891 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.366 -3.473 11.737 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.358 -5.040 11.938 1.00 0.00 H new ATOM 602 N THR A 37 -5.901 -3.327 6.022 1.00 0.00 N ATOM 603 CA THR A 37 -7.216 -3.730 5.607 1.00 0.00 C ATOM 604 C THR A 37 -7.151 -4.773 4.477 1.00 0.00 C ATOM 605 O THR A 37 -7.815 -5.824 4.534 1.00 0.00 O ATOM 606 CB THR A 37 -7.993 -2.446 5.191 1.00 0.00 C ATOM 607 OG1 THR A 37 -8.602 -1.816 6.329 1.00 0.00 O ATOM 608 CG2 THR A 37 -8.976 -2.625 4.046 1.00 0.00 C ATOM 0 H THR A 37 -5.717 -2.336 5.866 1.00 0.00 H new ATOM 0 HA THR A 37 -7.743 -4.221 6.425 1.00 0.00 H new ATOM 0 HB THR A 37 -7.234 -1.778 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.954 -1.219 6.758 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.465 -1.674 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.443 -2.965 3.158 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.727 -3.365 4.323 1.00 0.00 H new ATOM 616 N TYR A 38 -6.289 -4.504 3.526 1.00 0.00 N ATOM 617 CA TYR A 38 -6.130 -5.287 2.338 1.00 0.00 C ATOM 618 C TYR A 38 -5.832 -6.744 2.650 1.00 0.00 C ATOM 619 O TYR A 38 -6.583 -7.624 2.259 1.00 0.00 O ATOM 620 CB TYR A 38 -4.990 -4.678 1.526 1.00 0.00 C ATOM 621 CG TYR A 38 -4.767 -5.289 0.190 1.00 0.00 C ATOM 622 CD1 TYR A 38 -5.609 -4.981 -0.829 1.00 0.00 C ATOM 623 CD2 TYR A 38 -3.708 -6.154 -0.052 1.00 0.00 C ATOM 624 CE1 TYR A 38 -5.426 -5.511 -2.103 1.00 0.00 C ATOM 625 CE2 TYR A 38 -3.505 -6.693 -1.306 1.00 0.00 C ATOM 626 CZ TYR A 38 -4.367 -6.366 -2.332 1.00 0.00 C ATOM 627 OH TYR A 38 -4.172 -6.904 -3.585 1.00 0.00 O ATOM 0 H TYR A 38 -5.659 -3.703 3.566 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.063 -5.272 1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.188 -3.614 1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.069 -4.761 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.437 -4.312 -0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.034 -6.408 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.105 -5.256 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.678 -7.365 -1.483 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.382 -7.483 -3.573 1.00 0.00 H new ATOM 637 N GLN A 39 -4.818 -6.979 3.450 1.00 0.00 N ATOM 638 CA GLN A 39 -4.378 -8.339 3.730 1.00 0.00 C ATOM 639 C GLN A 39 -5.431 -9.144 4.492 1.00 0.00 C ATOM 640 O GLN A 39 -5.604 -10.347 4.259 1.00 0.00 O ATOM 641 CB GLN A 39 -3.064 -8.326 4.485 1.00 0.00 C ATOM 642 CG GLN A 39 -1.924 -7.621 3.748 1.00 0.00 C ATOM 643 CD GLN A 39 -1.493 -8.281 2.431 1.00 0.00 C ATOM 644 OE1 GLN A 39 -2.280 -8.914 1.716 1.00 0.00 O ATOM 645 NE2 GLN A 39 -0.241 -8.122 2.104 1.00 0.00 N ATOM 0 H GLN A 39 -4.279 -6.252 3.921 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.230 -8.835 2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.216 -7.838 5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.767 -9.354 4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.227 -6.595 3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.060 -7.571 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.383 -7.595 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.115 -8.525 1.237 1.00 0.00 H new ATOM 904 N GLU A 55 -9.466 -4.796 -5.507 1.00 0.00 N ATOM 905 CA GLU A 55 -8.113 -4.354 -5.733 1.00 0.00 C ATOM 906 C GLU A 55 -8.127 -2.960 -6.370 1.00 0.00 C ATOM 907 O GLU A 55 -7.225 -2.140 -6.167 1.00 0.00 O ATOM 908 CB GLU A 55 -7.493 -5.383 -6.640 1.00 0.00 C ATOM 909 CG GLU A 55 -6.062 -5.197 -6.948 1.00 0.00 C ATOM 910 CD GLU A 55 -5.553 -6.335 -7.783 1.00 0.00 C ATOM 911 OE1 GLU A 55 -5.183 -7.383 -7.208 1.00 0.00 O ATOM 912 OE2 GLU A 55 -5.566 -6.233 -9.030 1.00 0.00 O ATOM 0 HA GLU A 55 -7.539 -4.267 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.621 -6.365 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.048 -5.393 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.917 -4.256 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.490 -5.133 -6.022 1.00 0.00 H new ATOM 919 N GLU A 56 -9.173 -2.717 -7.106 1.00 0.00 N ATOM 920 CA GLU A 56 -9.457 -1.448 -7.713 1.00 0.00 C ATOM 921 C GLU A 56 -9.687 -0.381 -6.638 1.00 0.00 C ATOM 922 O GLU A 56 -9.100 0.695 -6.692 1.00 0.00 O ATOM 923 CB GLU A 56 -10.691 -1.596 -8.577 1.00 0.00 C ATOM 924 CG GLU A 56 -11.164 -0.334 -9.248 1.00 0.00 C ATOM 925 CD GLU A 56 -12.407 -0.590 -10.031 1.00 0.00 C ATOM 926 OE1 GLU A 56 -13.512 -0.584 -9.433 1.00 0.00 O ATOM 927 OE2 GLU A 56 -12.307 -0.845 -11.235 1.00 0.00 O ATOM 0 H GLU A 56 -9.879 -3.425 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.611 -1.133 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.489 -2.342 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.501 -1.985 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.352 0.434 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.385 0.048 -9.907 1.00 0.00 H new ATOM 934 N GLU A 57 -10.507 -0.702 -5.630 1.00 0.00 N ATOM 935 CA GLU A 57 -10.823 0.257 -4.584 1.00 0.00 C ATOM 936 C GLU A 57 -9.610 0.451 -3.702 1.00 0.00 C ATOM 937 O GLU A 57 -9.365 1.546 -3.196 1.00 0.00 O ATOM 938 CB GLU A 57 -12.055 -0.164 -3.785 1.00 0.00 C ATOM 939 CG GLU A 57 -11.787 -1.079 -2.636 1.00 0.00 C ATOM 940 CD GLU A 57 -13.040 -1.549 -1.980 1.00 0.00 C ATOM 941 OE1 GLU A 57 -13.746 -2.365 -2.584 1.00 0.00 O ATOM 942 OE2 GLU A 57 -13.340 -1.140 -0.842 1.00 0.00 O ATOM 0 H GLU A 57 -10.956 -1.612 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.075 1.213 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.547 0.732 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.757 -0.652 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.218 -1.940 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.167 -0.564 -1.902 1.00 0.00 H new ATOM 949 N VAL A 58 -8.824 -0.615 -3.586 1.00 0.00 N ATOM 950 CA VAL A 58 -7.594 -0.597 -2.884 1.00 0.00 C ATOM 951 C VAL A 58 -6.676 0.425 -3.519 1.00 0.00 C ATOM 952 O VAL A 58 -6.237 1.368 -2.870 1.00 0.00 O ATOM 953 CB VAL A 58 -6.953 -1.998 -2.937 1.00 0.00 C ATOM 954 CG1 VAL A 58 -5.544 -1.982 -2.444 1.00 0.00 C ATOM 955 CG2 VAL A 58 -7.770 -2.950 -2.123 1.00 0.00 C ATOM 0 H VAL A 58 -9.050 -1.522 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.763 -0.327 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.932 -2.322 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.128 -2.988 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.949 -1.310 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.524 -1.636 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.318 -3.941 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.807 -2.606 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.782 -2.998 -2.526 1.00 0.00 H new ATOM 965 N PHE A 59 -6.473 0.275 -4.817 1.00 0.00 N ATOM 966 CA PHE A 59 -5.624 1.163 -5.565 1.00 0.00 C ATOM 967 C PHE A 59 -6.179 2.583 -5.539 1.00 0.00 C ATOM 968 O PHE A 59 -5.423 3.535 -5.470 1.00 0.00 O ATOM 969 CB PHE A 59 -5.445 0.656 -7.001 1.00 0.00 C ATOM 970 CG PHE A 59 -4.488 1.474 -7.822 1.00 0.00 C ATOM 971 CD1 PHE A 59 -3.127 1.251 -7.736 1.00 0.00 C ATOM 972 CD2 PHE A 59 -4.949 2.471 -8.660 1.00 0.00 C ATOM 973 CE1 PHE A 59 -2.239 2.007 -8.472 1.00 0.00 C ATOM 974 CE2 PHE A 59 -4.071 3.231 -9.394 1.00 0.00 C ATOM 975 CZ PHE A 59 -2.712 3.001 -9.303 1.00 0.00 C ATOM 0 H PHE A 59 -6.895 -0.468 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.640 1.183 -5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.092 -0.375 -6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.416 0.646 -7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.754 0.475 -7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.010 2.655 -8.739 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.178 1.821 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.444 4.009 -10.043 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.022 3.598 -9.881 1.00 0.00 H new ATOM 985 N THR A 60 -7.502 2.708 -5.540 1.00 0.00 N ATOM 986 CA THR A 60 -8.161 3.944 -5.498 1.00 0.00 C ATOM 987 C THR A 60 -7.781 4.748 -4.249 1.00 0.00 C ATOM 988 O THR A 60 -7.379 5.900 -4.366 1.00 0.00 O ATOM 989 CB THR A 60 -9.671 3.699 -5.531 1.00 0.00 C ATOM 990 OG1 THR A 60 -10.069 3.169 -6.815 1.00 0.00 O ATOM 991 CG2 THR A 60 -10.411 4.946 -5.238 1.00 0.00 C ATOM 0 H THR A 60 -8.136 1.909 -5.572 1.00 0.00 H new ATOM 0 HA THR A 60 -7.856 4.532 -6.364 1.00 0.00 H new ATOM 0 HB THR A 60 -9.914 2.967 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.559 2.354 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.483 4.749 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.135 5.309 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.161 5.701 -5.983 1.00 0.00 H new ATOM 999 N GLU A 61 -7.853 4.125 -3.080 1.00 0.00 N ATOM 1000 CA GLU A 61 -7.592 4.818 -1.835 1.00 0.00 C ATOM 1001 C GLU A 61 -6.120 5.173 -1.716 1.00 0.00 C ATOM 1002 O GLU A 61 -5.760 6.210 -1.169 1.00 0.00 O ATOM 1003 CB GLU A 61 -8.046 3.961 -0.671 1.00 0.00 C ATOM 1004 CG GLU A 61 -9.527 3.711 -0.688 1.00 0.00 C ATOM 1005 CD GLU A 61 -10.020 2.879 0.455 1.00 0.00 C ATOM 1006 OE1 GLU A 61 -10.034 3.366 1.612 1.00 0.00 O ATOM 1007 OE2 GLU A 61 -10.449 1.746 0.223 1.00 0.00 O ATOM 0 H GLU A 61 -8.091 3.139 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.155 5.751 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.519 3.007 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.773 4.449 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.046 4.669 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.790 3.217 -1.623 1.00 0.00 H new ATOM 1014 N VAL A 62 -5.286 4.328 -2.262 1.00 0.00 N ATOM 1015 CA VAL A 62 -3.856 4.547 -2.253 1.00 0.00 C ATOM 1016 C VAL A 62 -3.472 5.670 -3.245 1.00 0.00 C ATOM 1017 O VAL A 62 -2.654 6.539 -2.935 1.00 0.00 O ATOM 1018 CB VAL A 62 -3.115 3.236 -2.575 1.00 0.00 C ATOM 1019 CG1 VAL A 62 -1.630 3.412 -2.462 1.00 0.00 C ATOM 1020 CG2 VAL A 62 -3.570 2.150 -1.627 1.00 0.00 C ATOM 0 H VAL A 62 -5.575 3.467 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.555 4.869 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.349 2.954 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.133 2.470 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.300 4.179 -3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.376 3.715 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.044 1.223 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.351 2.447 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.643 1.996 -1.739 1.00 0.00 H new ATOM 1030 N ALA A 63 -4.103 5.666 -4.411 1.00 0.00 N ATOM 1031 CA ALA A 63 -3.908 6.724 -5.419 1.00 0.00 C ATOM 1032 C ALA A 63 -4.466 8.041 -4.901 1.00 0.00 C ATOM 1033 O ALA A 63 -4.011 9.105 -5.252 1.00 0.00 O ATOM 1034 CB ALA A 63 -4.570 6.349 -6.739 1.00 0.00 C ATOM 0 H ALA A 63 -4.761 4.940 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.839 6.836 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.411 7.146 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.134 5.424 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.640 6.208 -6.583 1.00 0.00 H new ATOM 1040 N ASN A 64 -5.477 7.920 -4.084 1.00 0.00 N ATOM 1041 CA ASN A 64 -6.123 9.028 -3.389 1.00 0.00 C ATOM 1042 C ASN A 64 -5.220 9.572 -2.294 1.00 0.00 C ATOM 1043 O ASN A 64 -5.296 10.742 -1.932 1.00 0.00 O ATOM 1044 CB ASN A 64 -7.450 8.538 -2.842 1.00 0.00 C ATOM 1045 CG ASN A 64 -8.161 9.416 -1.831 1.00 0.00 C ATOM 1046 OD1 ASN A 64 -8.118 10.649 -1.879 1.00 0.00 O ATOM 1047 ND2 ASN A 64 -8.820 8.776 -0.902 1.00 0.00 N ATOM 0 H ASN A 64 -5.898 7.017 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.307 9.853 -4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.124 8.383 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.285 7.563 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.323 9.296 -0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.832 7.756 -0.896 1.00 0.00 H new ATOM 1054 N LEU A 65 -4.392 8.729 -1.760 1.00 0.00 N ATOM 1055 CA LEU A 65 -3.451 9.160 -0.786 1.00 0.00 C ATOM 1056 C LEU A 65 -2.322 9.919 -1.495 1.00 0.00 C ATOM 1057 O LEU A 65 -2.077 11.097 -1.241 1.00 0.00 O ATOM 1058 CB LEU A 65 -2.836 7.971 -0.050 1.00 0.00 C ATOM 1059 CG LEU A 65 -2.747 8.081 1.467 1.00 0.00 C ATOM 1060 CD1 LEU A 65 -2.623 9.486 1.911 1.00 0.00 C ATOM 1061 CD2 LEU A 65 -3.889 7.424 2.147 1.00 0.00 C ATOM 0 H LEU A 65 -4.352 7.735 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.967 9.795 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.417 7.082 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.831 7.812 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.839 7.551 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.562 9.520 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.721 9.924 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.494 10.051 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.780 7.530 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.820 7.893 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.908 6.366 1.886 1.00 0.00 H new ATOM 1073 N PHE A 66 -1.681 9.246 -2.420 1.00 0.00 N ATOM 1074 CA PHE A 66 -0.523 9.787 -3.107 1.00 0.00 C ATOM 1075 C PHE A 66 -0.929 10.327 -4.468 1.00 0.00 C ATOM 1076 O PHE A 66 -0.306 10.010 -5.485 1.00 0.00 O ATOM 1077 CB PHE A 66 0.536 8.692 -3.276 1.00 0.00 C ATOM 1078 CG PHE A 66 0.831 7.939 -2.007 1.00 0.00 C ATOM 1079 CD1 PHE A 66 1.354 8.590 -0.904 1.00 0.00 C ATOM 1080 CD2 PHE A 66 0.563 6.585 -1.913 1.00 0.00 C ATOM 1081 CE1 PHE A 66 1.607 7.906 0.266 1.00 0.00 C ATOM 1082 CE2 PHE A 66 0.813 5.897 -0.746 1.00 0.00 C ATOM 1083 CZ PHE A 66 1.336 6.558 0.344 1.00 0.00 C ATOM 0 H PHE A 66 -1.944 8.308 -2.721 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.106 10.601 -2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.200 7.988 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.458 9.143 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.567 9.647 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.153 6.061 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.017 8.426 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.599 4.840 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.533 6.019 1.259 1.00 0.00 H new ATOM 1093 N ARG A 67 -1.971 11.139 -4.474 1.00 0.00 N ATOM 1094 CA ARG A 67 -2.504 11.742 -5.699 1.00 0.00 C ATOM 1095 C ARG A 67 -1.396 12.494 -6.452 1.00 0.00 C ATOM 1096 O ARG A 67 -0.746 13.382 -5.892 1.00 0.00 O ATOM 1097 CB ARG A 67 -3.598 12.761 -5.375 1.00 0.00 C ATOM 1098 CG ARG A 67 -4.621 12.324 -4.373 1.00 0.00 C ATOM 1099 CD ARG A 67 -5.500 13.488 -3.960 1.00 0.00 C ATOM 1100 NE ARG A 67 -6.469 13.122 -2.927 1.00 0.00 N ATOM 1101 CZ ARG A 67 -7.469 13.908 -2.505 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -7.616 15.134 -3.004 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -8.305 13.470 -1.580 1.00 0.00 N ATOM 0 H ARG A 67 -2.479 11.405 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.907 10.931 -6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.123 13.671 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.112 13.021 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.236 11.530 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.124 11.909 -3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.872 14.300 -3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.031 13.865 -4.834 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.377 12.202 -2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.966 15.478 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.379 15.729 -2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.188 12.535 -1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.067 14.067 -1.257 1.00 0.00 H new ATOM 1117 N GLY A 68 -1.167 12.122 -7.685 1.00 0.00 N ATOM 1118 CA GLY A 68 -0.185 12.801 -8.497 1.00 0.00 C ATOM 1119 C GLY A 68 1.161 12.119 -8.457 1.00 0.00 C ATOM 1120 O GLY A 68 1.896 12.115 -9.456 1.00 0.00 O ATOM 0 H GLY A 68 -1.647 11.352 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.537 12.846 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.079 13.829 -8.152 1.00 0.00 H new ATOM 1124 N GLN A 69 1.477 11.526 -7.324 1.00 0.00 N ATOM 1125 CA GLN A 69 2.724 10.830 -7.106 1.00 0.00 C ATOM 1126 C GLN A 69 2.757 9.484 -7.810 1.00 0.00 C ATOM 1127 O GLN A 69 2.846 8.438 -7.167 1.00 0.00 O ATOM 1128 CB GLN A 69 2.947 10.632 -5.618 1.00 0.00 C ATOM 1129 CG GLN A 69 3.023 11.922 -4.851 1.00 0.00 C ATOM 1130 CD GLN A 69 4.186 12.766 -5.295 1.00 0.00 C ATOM 1131 OE1 GLN A 69 5.221 12.251 -5.724 1.00 0.00 O ATOM 1132 NE2 GLN A 69 4.041 14.044 -5.205 1.00 0.00 N ATOM 0 H GLN A 69 0.859 11.516 -6.513 1.00 0.00 H new ATOM 0 HA GLN A 69 3.521 11.443 -7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.137 10.024 -5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.871 10.073 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.096 12.480 -4.985 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.115 11.707 -3.786 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.170 14.434 -4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.797 14.665 -5.494 1.00 0.00 H new ATOM 1141 N GLU A 70 2.718 9.519 -9.132 1.00 0.00 N ATOM 1142 CA GLU A 70 2.768 8.326 -9.969 1.00 0.00 C ATOM 1143 C GLU A 70 4.016 7.529 -9.685 1.00 0.00 C ATOM 1144 O GLU A 70 4.023 6.315 -9.795 1.00 0.00 O ATOM 1145 CB GLU A 70 2.730 8.701 -11.432 1.00 0.00 C ATOM 1146 CG GLU A 70 1.419 9.286 -11.893 1.00 0.00 C ATOM 1147 CD GLU A 70 1.472 9.683 -13.337 1.00 0.00 C ATOM 1148 OE1 GLU A 70 1.811 8.834 -14.185 1.00 0.00 O ATOM 1149 OE2 GLU A 70 1.173 10.860 -13.653 1.00 0.00 O ATOM 0 H GLU A 70 2.650 10.387 -9.663 1.00 0.00 H new ATOM 0 HA GLU A 70 1.896 7.716 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.524 9.420 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.947 7.814 -12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.622 8.558 -11.744 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.174 10.156 -11.284 1.00 0.00 H new ATOM 1156 N ASP A 71 5.047 8.230 -9.298 1.00 0.00 N ATOM 1157 CA ASP A 71 6.321 7.647 -8.916 1.00 0.00 C ATOM 1158 C ASP A 71 6.139 6.610 -7.796 1.00 0.00 C ATOM 1159 O ASP A 71 6.608 5.474 -7.902 1.00 0.00 O ATOM 1160 CB ASP A 71 7.259 8.768 -8.481 1.00 0.00 C ATOM 1161 CG ASP A 71 8.590 8.289 -7.978 1.00 0.00 C ATOM 1162 OD1 ASP A 71 9.481 7.964 -8.805 1.00 0.00 O ATOM 1163 OD2 ASP A 71 8.807 8.304 -6.760 1.00 0.00 O ATOM 0 H ASP A 71 5.032 9.248 -9.235 1.00 0.00 H new ATOM 0 HA ASP A 71 6.753 7.123 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.421 9.440 -9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.774 9.350 -7.698 1.00 0.00 H new ATOM 1168 N LEU A 72 5.405 6.991 -6.772 1.00 0.00 N ATOM 1169 CA LEU A 72 5.123 6.110 -5.646 1.00 0.00 C ATOM 1170 C LEU A 72 4.084 5.055 -6.044 1.00 0.00 C ATOM 1171 O LEU A 72 4.167 3.889 -5.655 1.00 0.00 O ATOM 1172 CB LEU A 72 4.589 6.931 -4.464 1.00 0.00 C ATOM 1173 CG LEU A 72 5.483 8.072 -3.952 1.00 0.00 C ATOM 1174 CD1 LEU A 72 4.774 8.831 -2.854 1.00 0.00 C ATOM 1175 CD2 LEU A 72 6.820 7.546 -3.445 1.00 0.00 C ATOM 0 H LEU A 72 4.985 7.917 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 72 6.046 5.609 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.628 7.356 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.400 6.249 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 72 5.682 8.745 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.415 9.637 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.846 9.250 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.550 8.154 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.428 8.379 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.649 6.847 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.341 7.036 -4.255 1.00 0.00 H new ATOM 1187 N LEU A 73 3.157 5.472 -6.886 1.00 0.00 N ATOM 1188 CA LEU A 73 2.002 4.644 -7.276 1.00 0.00 C ATOM 1189 C LEU A 73 2.437 3.505 -8.195 1.00 0.00 C ATOM 1190 O LEU A 73 1.879 2.417 -8.150 1.00 0.00 O ATOM 1191 CB LEU A 73 0.920 5.501 -7.981 1.00 0.00 C ATOM 1192 CG LEU A 73 0.369 6.731 -7.215 1.00 0.00 C ATOM 1193 CD1 LEU A 73 -0.598 7.523 -8.059 1.00 0.00 C ATOM 1194 CD2 LEU A 73 -0.308 6.351 -5.916 1.00 0.00 C ATOM 0 H LEU A 73 3.172 6.392 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 73 1.576 4.220 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.332 5.851 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.079 4.850 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 73 1.238 7.347 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.963 8.377 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.092 7.876 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.438 6.889 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.675 7.250 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.144 5.684 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.407 5.846 -5.267 1.00 0.00 H new ATOM 1206 N SER A 74 3.448 3.754 -9.001 1.00 0.00 N ATOM 1207 CA SER A 74 3.964 2.771 -9.942 1.00 0.00 C ATOM 1208 C SER A 74 4.611 1.572 -9.232 1.00 0.00 C ATOM 1209 O SER A 74 4.466 0.426 -9.673 1.00 0.00 O ATOM 1210 CB SER A 74 4.952 3.434 -10.897 1.00 0.00 C ATOM 1211 OG SER A 74 4.311 4.443 -11.676 1.00 0.00 O ATOM 0 H SER A 74 3.940 4.647 -9.025 1.00 0.00 H new ATOM 0 HA SER A 74 3.121 2.382 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.772 3.874 -10.330 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.387 2.682 -11.556 1.00 0.00 H new ATOM 0 HG SER A 74 4.315 5.289 -11.182 1.00 0.00 H new ATOM 1217 N GLU A 75 5.274 1.832 -8.115 1.00 0.00 N ATOM 1218 CA GLU A 75 5.943 0.779 -7.354 1.00 0.00 C ATOM 1219 C GLU A 75 4.938 -0.048 -6.574 1.00 0.00 C ATOM 1220 O GLU A 75 5.199 -1.197 -6.230 1.00 0.00 O ATOM 1221 CB GLU A 75 6.953 1.387 -6.399 1.00 0.00 C ATOM 1222 CG GLU A 75 8.082 2.114 -7.086 1.00 0.00 C ATOM 1223 CD GLU A 75 8.949 1.207 -7.905 1.00 0.00 C ATOM 1224 OE1 GLU A 75 9.741 0.433 -7.319 1.00 0.00 O ATOM 1225 OE2 GLU A 75 8.898 1.278 -9.152 1.00 0.00 O ATOM 0 H GLU A 75 5.365 2.765 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 75 6.458 0.126 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.438 2.081 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.369 0.597 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.669 2.891 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.695 2.614 -6.336 1.00 0.00 H new ATOM 1232 N PHE A 76 3.782 0.540 -6.329 1.00 0.00 N ATOM 1233 CA PHE A 76 2.715 -0.086 -5.572 1.00 0.00 C ATOM 1234 C PHE A 76 2.278 -1.411 -6.208 1.00 0.00 C ATOM 1235 O PHE A 76 2.134 -2.400 -5.511 1.00 0.00 O ATOM 1236 CB PHE A 76 1.561 0.917 -5.408 1.00 0.00 C ATOM 1237 CG PHE A 76 0.427 0.457 -4.552 1.00 0.00 C ATOM 1238 CD1 PHE A 76 0.653 -0.015 -3.269 1.00 0.00 C ATOM 1239 CD2 PHE A 76 -0.859 0.492 -5.032 1.00 0.00 C ATOM 1240 CE1 PHE A 76 -0.393 -0.444 -2.485 1.00 0.00 C ATOM 1241 CE2 PHE A 76 -1.916 0.062 -4.255 1.00 0.00 C ATOM 1242 CZ PHE A 76 -1.681 -0.408 -2.977 1.00 0.00 C ATOM 0 H PHE A 76 3.555 1.479 -6.655 1.00 0.00 H new ATOM 0 HA PHE A 76 3.074 -0.349 -4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.961 1.839 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.172 1.161 -6.396 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.660 -0.046 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.046 0.861 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.206 -0.808 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.923 0.093 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.504 -0.746 -2.365 1.00 0.00 H new