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 Single : A 12 SER OG : rot 34:sc= 0.141 USER MOD Single : A 13 TYR OH : rot 11:sc= 1.19 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.09) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.327 USER MOD Single : A 30 SER OG : rot 92:sc= 1.27 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 84:sc= 1.05 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.95) USER MOD Single : A 60 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 64 ASN : amide:sc= 1.32 K(o=1.3,f=-6.9!) USER MOD Single : A 69 GLN : amide:sc= -0.0467 X(o=-0.047,f=-0.16) USER MOD Single : A 74 SER OG : rot 78:sc= 0.358 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.748 1.245 1.416 1.00 64.23 N ATOM 159 CA SER A 12 13.138 2.427 0.667 1.00 74.41 C ATOM 160 C SER A 12 11.891 3.096 0.059 1.00 75.01 C ATOM 161 O SER A 12 11.760 4.315 0.082 1.00 24.21 O ATOM 162 CB SER A 12 14.152 2.042 -0.410 1.00 21.23 C ATOM 163 OG SER A 12 15.276 1.375 0.173 1.00 23.24 O ATOM 0 HA SER A 12 13.612 3.148 1.334 1.00 74.41 H new ATOM 0 HB2 SER A 12 13.679 1.393 -1.147 1.00 21.23 H new ATOM 0 HB3 SER A 12 14.486 2.935 -0.939 1.00 21.23 H new ATOM 0 HG SER A 12 14.979 0.846 0.943 1.00 23.24 H new ATOM 169 N TYR A 13 10.966 2.267 -0.435 1.00 44.33 N ATOM 170 CA TYR A 13 9.669 2.729 -0.927 1.00 31.52 C ATOM 171 C TYR A 13 8.923 3.440 0.200 1.00 53.22 C ATOM 172 O TYR A 13 8.438 4.559 0.035 1.00 20.52 O ATOM 173 CB TYR A 13 8.851 1.522 -1.452 1.00 14.01 C ATOM 174 CG TYR A 13 7.387 1.803 -1.756 1.00 53.11 C ATOM 175 CD1 TYR A 13 6.997 2.408 -2.936 1.00 22.43 C ATOM 176 CD2 TYR A 13 6.395 1.457 -0.842 1.00 4.22 C ATOM 177 CE1 TYR A 13 5.665 2.658 -3.198 1.00 71.01 C ATOM 178 CE2 TYR A 13 5.065 1.708 -1.097 1.00 43.22 C ATOM 179 CZ TYR A 13 4.704 2.305 -2.277 1.00 44.43 C ATOM 180 OH TYR A 13 3.380 2.581 -2.527 1.00 3.52 O ATOM 0 H TYR A 13 11.097 1.258 -0.504 1.00 44.33 H new ATOM 0 HA TYR A 13 9.813 3.431 -1.748 1.00 31.52 H new ATOM 0 HB2 TYR A 13 9.327 1.150 -2.359 1.00 14.01 H new ATOM 0 HB3 TYR A 13 8.903 0.722 -0.714 1.00 14.01 H new ATOM 0 HD1 TYR A 13 7.745 2.689 -3.663 1.00 22.43 H new ATOM 0 HD2 TYR A 13 6.675 0.982 0.087 1.00 4.22 H new ATOM 0 HE1 TYR A 13 5.376 3.130 -4.125 1.00 71.01 H new ATOM 0 HE2 TYR A 13 4.312 1.436 -0.372 1.00 43.22 H new ATOM 0 HH TYR A 13 3.276 2.869 -3.458 1.00 3.52 H new ATOM 190 N VAL A 14 8.872 2.788 1.348 1.00 54.25 N ATOM 191 CA VAL A 14 8.222 3.332 2.525 1.00 45.21 C ATOM 192 C VAL A 14 8.910 4.620 3.000 1.00 33.01 C ATOM 193 O VAL A 14 8.252 5.594 3.320 1.00 4.52 O ATOM 194 CB VAL A 14 8.152 2.295 3.682 1.00 40.25 C ATOM 195 CG1 VAL A 14 7.579 2.938 4.925 1.00 31.44 C ATOM 196 CG2 VAL A 14 7.291 1.106 3.275 1.00 25.31 C ATOM 0 H VAL A 14 9.281 1.865 1.490 1.00 54.25 H new ATOM 0 HA VAL A 14 7.200 3.576 2.235 1.00 45.21 H new ATOM 0 HB VAL A 14 9.162 1.945 3.894 1.00 40.25 H new ATOM 0 HG11 VAL A 14 7.535 2.202 5.728 1.00 31.44 H new ATOM 0 HG12 VAL A 14 8.214 3.770 5.230 1.00 31.44 H new ATOM 0 HG13 VAL A 14 6.575 3.306 4.714 1.00 31.44 H new ATOM 0 HG21 VAL A 14 7.251 0.388 4.094 1.00 25.31 H new ATOM 0 HG22 VAL A 14 6.283 1.449 3.044 1.00 25.31 H new ATOM 0 HG23 VAL A 14 7.722 0.629 2.395 1.00 25.31 H new ATOM 206 N ASN A 15 10.224 4.606 3.027 1.00 71.54 N ATOM 207 CA ASN A 15 11.044 5.726 3.392 1.00 64.51 C ATOM 208 C ASN A 15 10.763 6.929 2.487 1.00 31.42 C ATOM 209 O ASN A 15 10.738 8.082 2.933 1.00 62.41 O ATOM 210 CB ASN A 15 12.470 5.290 3.220 1.00 24.35 C ATOM 211 CG ASN A 15 13.463 6.297 3.638 1.00 72.14 C ATOM 212 OD1 ASN A 15 13.243 7.081 4.551 1.00 43.55 O ATOM 213 ND2 ASN A 15 14.553 6.306 2.973 1.00 43.11 N ATOM 0 H ASN A 15 10.767 3.777 2.784 1.00 71.54 H new ATOM 0 HA ASN A 15 10.835 6.031 4.418 1.00 64.51 H new ATOM 0 HB2 ASN A 15 12.631 4.377 3.793 1.00 24.35 H new ATOM 0 HB3 ASN A 15 12.639 5.042 2.172 1.00 24.35 H new ATOM 0 HD21 ASN A 15 15.281 6.985 3.196 1.00 43.11 H new ATOM 0 HD22 ASN A 15 14.696 5.634 2.219 1.00 43.11 H new ATOM 220 N LYS A 16 10.545 6.647 1.227 1.00 54.15 N ATOM 221 CA LYS A 16 10.218 7.657 0.253 1.00 44.41 C ATOM 222 C LYS A 16 8.822 8.228 0.552 1.00 12.25 C ATOM 223 O LYS A 16 8.596 9.421 0.411 1.00 32.33 O ATOM 224 CB LYS A 16 10.325 7.048 -1.143 1.00 70.03 C ATOM 225 CG LYS A 16 10.058 7.967 -2.300 1.00 51.20 C ATOM 226 CD LYS A 16 10.355 7.231 -3.591 1.00 34.31 C ATOM 227 CE LYS A 16 10.103 8.095 -4.814 1.00 54.24 C ATOM 228 NZ LYS A 16 10.474 7.409 -6.081 1.00 71.22 N ATOM 0 H LYS A 16 10.590 5.702 0.846 1.00 54.15 H new ATOM 0 HA LYS A 16 10.918 8.491 0.303 1.00 44.41 H new ATOM 0 HB2 LYS A 16 11.328 6.637 -1.259 1.00 70.03 H new ATOM 0 HB3 LYS A 16 9.628 6.212 -1.204 1.00 70.03 H new ATOM 0 HG2 LYS A 16 9.020 8.299 -2.286 1.00 51.20 H new ATOM 0 HG3 LYS A 16 10.679 8.859 -2.224 1.00 51.20 H new ATOM 0 HD2 LYS A 16 11.394 6.901 -3.589 1.00 34.31 H new ATOM 0 HD3 LYS A 16 9.737 6.335 -3.647 1.00 34.31 H new ATOM 0 HE2 LYS A 16 9.049 8.371 -4.849 1.00 54.24 H new ATOM 0 HE3 LYS A 16 10.672 9.020 -4.725 1.00 54.24 H new ATOM 0 HZ1 LYS A 16 10.072 7.928 -6.887 1.00 71.22 H new ATOM 0 HZ2 LYS A 16 11.510 7.380 -6.170 1.00 71.22 H new ATOM 0 HZ3 LYS A 16 10.100 6.439 -6.073 1.00 71.22 H new ATOM 242 N ILE A 17 7.908 7.374 1.009 1.00 14.21 N ATOM 243 CA ILE A 17 6.604 7.818 1.456 1.00 43.20 C ATOM 244 C ILE A 17 6.797 8.732 2.663 1.00 12.15 C ATOM 245 O ILE A 17 6.230 9.829 2.726 1.00 43.42 O ATOM 246 CB ILE A 17 5.724 6.625 1.905 1.00 71.20 C ATOM 247 CG1 ILE A 17 5.501 5.622 0.773 1.00 21.31 C ATOM 248 CG2 ILE A 17 4.406 7.122 2.452 1.00 13.35 C ATOM 249 CD1 ILE A 17 4.729 4.392 1.203 1.00 72.34 C ATOM 0 H ILE A 17 8.055 6.367 1.077 1.00 14.21 H new ATOM 0 HA ILE A 17 6.112 8.330 0.629 1.00 43.20 H new ATOM 0 HB ILE A 17 6.257 6.100 2.697 1.00 71.20 H new ATOM 0 HG12 ILE A 17 4.964 6.114 -0.038 1.00 21.31 H new ATOM 0 HG13 ILE A 17 6.468 5.314 0.374 1.00 21.31 H new ATOM 0 HG21 ILE A 17 3.798 6.273 2.764 1.00 13.35 H new ATOM 0 HG22 ILE A 17 4.589 7.771 3.308 1.00 13.35 H new ATOM 0 HG23 ILE A 17 3.879 7.681 1.679 1.00 13.35 H new ATOM 0 HD11 ILE A 17 4.607 3.723 0.351 1.00 72.34 H new ATOM 0 HD12 ILE A 17 5.275 3.877 1.993 1.00 72.34 H new ATOM 0 HD13 ILE A 17 3.748 4.689 1.574 1.00 72.34 H new ATOM 261 N LYS A 18 7.640 8.265 3.597 1.00 24.22 N ATOM 262 CA LYS A 18 7.953 8.987 4.823 1.00 22.22 C ATOM 263 C LYS A 18 8.413 10.391 4.516 1.00 63.02 C ATOM 264 O LYS A 18 7.955 11.306 5.111 1.00 1.52 O ATOM 265 CB LYS A 18 9.060 8.296 5.653 1.00 25.42 C ATOM 266 CG LYS A 18 8.756 6.926 6.150 1.00 63.31 C ATOM 267 CD LYS A 18 9.900 6.410 6.988 1.00 41.43 C ATOM 268 CE LYS A 18 9.720 4.954 7.298 1.00 43.14 C ATOM 269 NZ LYS A 18 10.779 4.431 8.181 1.00 52.34 N ATOM 0 H LYS A 18 8.122 7.370 3.515 1.00 24.22 H new ATOM 0 HA LYS A 18 7.031 9.001 5.405 1.00 22.22 H new ATOM 0 HB2 LYS A 18 9.963 8.246 5.044 1.00 25.42 H new ATOM 0 HB3 LYS A 18 9.289 8.928 6.511 1.00 25.42 H new ATOM 0 HG2 LYS A 18 7.840 6.941 6.741 1.00 63.31 H new ATOM 0 HG3 LYS A 18 8.581 6.256 5.308 1.00 63.31 H new ATOM 0 HD2 LYS A 18 10.841 6.560 6.458 1.00 41.43 H new ATOM 0 HD3 LYS A 18 9.962 6.979 7.916 1.00 41.43 H new ATOM 0 HE2 LYS A 18 8.750 4.804 7.771 1.00 43.14 H new ATOM 0 HE3 LYS A 18 9.713 4.386 6.368 1.00 43.14 H new ATOM 0 HZ1 LYS A 18 10.610 3.422 8.366 1.00 52.34 H new ATOM 0 HZ2 LYS A 18 11.704 4.549 7.721 1.00 52.34 H new ATOM 0 HZ3 LYS A 18 10.771 4.953 9.080 1.00 52.34 H new ATOM 283 N THR A 19 9.323 10.532 3.569 1.00 33.54 N ATOM 284 CA THR A 19 9.872 11.832 3.231 1.00 11.14 C ATOM 285 C THR A 19 8.846 12.695 2.448 1.00 44.42 C ATOM 286 O THR A 19 8.740 13.899 2.671 1.00 32.45 O ATOM 287 CB THR A 19 11.229 11.680 2.452 1.00 0.52 C ATOM 288 OG1 THR A 19 12.011 12.886 2.525 1.00 33.54 O ATOM 289 CG2 THR A 19 11.012 11.349 0.987 1.00 14.31 C ATOM 0 H THR A 19 9.698 9.759 3.019 1.00 33.54 H new ATOM 0 HA THR A 19 10.085 12.361 4.160 1.00 11.14 H new ATOM 0 HB THR A 19 11.760 10.858 2.933 1.00 0.52 H new ATOM 0 HG1 THR A 19 12.850 12.762 2.034 1.00 33.54 H new ATOM 0 HG21 THR A 19 11.977 11.253 0.489 1.00 14.31 H new ATOM 0 HG22 THR A 19 10.466 10.410 0.903 1.00 14.31 H new ATOM 0 HG23 THR A 19 10.437 12.146 0.515 1.00 14.31 H new ATOM 297 N ARG A 20 8.073 12.062 1.578 1.00 33.22 N ATOM 298 CA ARG A 20 7.091 12.763 0.746 1.00 14.33 C ATOM 299 C ARG A 20 5.963 13.354 1.551 1.00 74.32 C ATOM 300 O ARG A 20 5.384 14.371 1.183 1.00 12.44 O ATOM 301 CB ARG A 20 6.529 11.843 -0.337 1.00 2.10 C ATOM 302 CG ARG A 20 7.450 11.628 -1.523 1.00 33.35 C ATOM 303 CD ARG A 20 7.760 12.946 -2.194 1.00 72.45 C ATOM 304 NE ARG A 20 8.439 12.783 -3.471 1.00 51.35 N ATOM 305 CZ ARG A 20 9.077 13.763 -4.111 1.00 43.11 C ATOM 306 NH1 ARG A 20 9.271 14.936 -3.506 1.00 43.43 N ATOM 307 NH2 ARG A 20 9.549 13.557 -5.336 1.00 32.44 N ATOM 0 H ARG A 20 8.104 11.054 1.425 1.00 33.22 H new ATOM 0 HA ARG A 20 7.626 13.587 0.275 1.00 14.33 H new ATOM 0 HB2 ARG A 20 6.301 10.875 0.109 1.00 2.10 H new ATOM 0 HB3 ARG A 20 5.587 12.259 -0.696 1.00 2.10 H new ATOM 0 HG2 ARG A 20 8.374 11.154 -1.193 1.00 33.35 H new ATOM 0 HG3 ARG A 20 6.982 10.950 -2.237 1.00 33.35 H new ATOM 0 HD2 ARG A 20 6.832 13.497 -2.349 1.00 72.45 H new ATOM 0 HD3 ARG A 20 8.382 13.548 -1.532 1.00 72.45 H new ATOM 0 HE ARG A 20 8.426 11.860 -3.904 1.00 51.35 H new ATOM 0 HH11 ARG A 20 8.931 15.082 -2.555 1.00 43.43 H new ATOM 0 HH12 ARG A 20 9.759 15.687 -3.994 1.00 43.43 H new ATOM 0 HH21 ARG A 20 9.423 12.650 -5.785 1.00 32.44 H new ATOM 0 HH22 ARG A 20 10.037 14.306 -5.827 1.00 32.44 H new ATOM 321 N PHE A 21 5.663 12.717 2.626 1.00 2.24 N ATOM 322 CA PHE A 21 4.592 13.116 3.492 1.00 1.05 C ATOM 323 C PHE A 21 5.160 13.267 4.880 1.00 40.13 C ATOM 324 O PHE A 21 4.504 12.995 5.874 1.00 11.31 O ATOM 325 CB PHE A 21 3.487 12.056 3.431 1.00 63.54 C ATOM 326 CG PHE A 21 2.987 11.838 2.024 1.00 14.35 C ATOM 327 CD1 PHE A 21 2.080 12.706 1.459 1.00 52.31 C ATOM 328 CD2 PHE A 21 3.450 10.779 1.263 1.00 22.33 C ATOM 329 CE1 PHE A 21 1.637 12.525 0.168 1.00 64.40 C ATOM 330 CE2 PHE A 21 3.011 10.592 -0.025 1.00 30.45 C ATOM 331 CZ PHE A 21 2.103 11.464 -0.576 1.00 62.32 C ATOM 0 H PHE A 21 6.161 11.885 2.942 1.00 2.24 H new ATOM 0 HA PHE A 21 4.152 14.066 3.189 1.00 1.05 H new ATOM 0 HB2 PHE A 21 3.865 11.115 3.831 1.00 63.54 H new ATOM 0 HB3 PHE A 21 2.656 12.362 4.067 1.00 63.54 H new ATOM 0 HD1 PHE A 21 1.711 13.541 2.037 1.00 52.31 H new ATOM 0 HD2 PHE A 21 4.166 10.091 1.687 1.00 22.33 H new ATOM 0 HE1 PHE A 21 0.925 13.214 -0.261 1.00 64.40 H new ATOM 0 HE2 PHE A 21 3.380 9.759 -0.605 1.00 30.45 H new ATOM 0 HZ PHE A 21 1.756 11.318 -1.588 1.00 62.32 H new ATOM 341 N LEU A 22 6.388 13.752 4.919 1.00 14.32 N ATOM 342 CA LEU A 22 7.177 13.870 6.141 1.00 63.33 C ATOM 343 C LEU A 22 6.482 14.757 7.178 1.00 61.04 C ATOM 344 O LEU A 22 6.502 14.472 8.378 1.00 54.52 O ATOM 345 CB LEU A 22 8.583 14.411 5.791 1.00 2.03 C ATOM 346 CG LEU A 22 9.788 13.731 6.430 1.00 0.33 C ATOM 347 CD1 LEU A 22 11.065 14.494 6.149 1.00 61.24 C ATOM 348 CD2 LEU A 22 9.585 13.543 7.880 1.00 23.11 C ATOM 0 H LEU A 22 6.878 14.083 4.088 1.00 14.32 H new ATOM 0 HA LEU A 22 7.276 12.882 6.591 1.00 63.33 H new ATOM 0 HB2 LEU A 22 8.703 14.356 4.709 1.00 2.03 H new ATOM 0 HB3 LEU A 22 8.612 15.466 6.062 1.00 2.03 H new ATOM 0 HG LEU A 22 9.889 12.745 5.978 1.00 0.33 H new ATOM 0 HD11 LEU A 22 11.905 13.983 6.619 1.00 61.24 H new ATOM 0 HD12 LEU A 22 11.228 14.547 5.073 1.00 61.24 H new ATOM 0 HD13 LEU A 22 10.982 15.503 6.553 1.00 61.24 H new ATOM 0 HD21 LEU A 22 10.460 13.056 8.310 1.00 23.11 H new ATOM 0 HD22 LEU A 22 9.439 14.513 8.356 1.00 23.11 H new ATOM 0 HD23 LEU A 22 8.705 12.921 8.047 1.00 23.11 H new ATOM 360 N ASP A 23 5.846 15.800 6.721 1.00 20.21 N ATOM 361 CA ASP A 23 5.159 16.699 7.612 1.00 71.10 C ATOM 362 C ASP A 23 3.694 16.393 7.684 1.00 21.30 C ATOM 363 O ASP A 23 2.945 17.011 8.452 1.00 60.12 O ATOM 364 CB ASP A 23 5.368 18.133 7.205 1.00 44.44 C ATOM 365 CG ASP A 23 6.730 18.652 7.576 1.00 32.14 C ATOM 366 OD1 ASP A 23 6.952 18.980 8.757 1.00 45.45 O ATOM 367 OD2 ASP A 23 7.615 18.729 6.704 1.00 74.11 O ATOM 0 H ASP A 23 5.788 16.051 5.734 1.00 20.21 H new ATOM 0 HA ASP A 23 5.586 16.552 8.604 1.00 71.10 H new ATOM 0 HB2 ASP A 23 5.231 18.224 6.127 1.00 44.44 H new ATOM 0 HB3 ASP A 23 4.607 18.754 7.677 1.00 44.44 H new ATOM 372 N HIS A 24 3.292 15.423 6.925 1.00 50.24 N ATOM 373 CA HIS A 24 1.905 15.020 6.840 1.00 62.33 C ATOM 374 C HIS A 24 1.763 13.540 7.215 1.00 45.21 C ATOM 375 O HIS A 24 1.530 12.686 6.346 1.00 50.22 O ATOM 376 CB HIS A 24 1.365 15.258 5.424 1.00 13.22 C ATOM 377 CG HIS A 24 1.336 16.696 4.984 1.00 5.14 C ATOM 378 ND1 HIS A 24 2.409 17.354 4.407 1.00 43.13 N ATOM 379 CD2 HIS A 24 0.331 17.601 5.037 1.00 73.13 C ATOM 380 CE1 HIS A 24 2.037 18.607 4.141 1.00 72.22 C ATOM 381 NE2 HIS A 24 0.778 18.813 4.504 1.00 62.11 N ATOM 0 H HIS A 24 3.918 14.875 6.335 1.00 50.24 H new ATOM 0 HA HIS A 24 1.324 15.621 7.540 1.00 62.33 H new ATOM 0 HB2 HIS A 24 1.974 14.691 4.720 1.00 13.22 H new ATOM 0 HB3 HIS A 24 0.353 14.856 5.366 1.00 13.22 H new ATOM 0 HD2 HIS A 24 -0.658 17.416 5.429 1.00 73.13 H new ATOM 0 HE1 HIS A 24 2.675 19.353 3.691 1.00 72.22 H new ATOM 0 HE2 HIS A 24 0.246 19.678 4.413 1.00 62.11 H new ATOM 389 N PRO A 25 1.871 13.204 8.518 1.00 11.21 N ATOM 390 CA PRO A 25 1.881 11.817 8.970 1.00 11.55 C ATOM 391 C PRO A 25 0.515 11.169 8.857 1.00 20.10 C ATOM 392 O PRO A 25 0.405 9.945 8.807 1.00 65.02 O ATOM 393 CB PRO A 25 2.314 11.902 10.438 1.00 52.31 C ATOM 394 CG PRO A 25 2.701 13.324 10.664 1.00 30.53 C ATOM 395 CD PRO A 25 1.963 14.129 9.649 1.00 74.34 C ATOM 0 HA PRO A 25 2.545 11.203 8.362 1.00 11.55 H new ATOM 0 HB2 PRO A 25 1.502 11.607 11.103 1.00 52.31 H new ATOM 0 HB3 PRO A 25 3.150 11.232 10.639 1.00 52.31 H new ATOM 0 HG2 PRO A 25 2.442 13.641 11.674 1.00 30.53 H new ATOM 0 HG3 PRO A 25 3.778 13.455 10.555 1.00 30.53 H new ATOM 0 HD2 PRO A 25 0.979 14.431 10.008 1.00 74.34 H new ATOM 0 HD3 PRO A 25 2.500 15.040 9.385 1.00 74.34 H new ATOM 403 N GLU A 26 -0.523 11.999 8.784 1.00 52.42 N ATOM 404 CA GLU A 26 -1.890 11.542 8.650 1.00 41.25 C ATOM 405 C GLU A 26 -2.035 10.677 7.389 1.00 54.21 C ATOM 406 O GLU A 26 -2.713 9.665 7.398 1.00 1.42 O ATOM 407 CB GLU A 26 -2.836 12.748 8.573 1.00 64.34 C ATOM 408 CG GLU A 26 -2.544 13.656 7.390 1.00 51.44 C ATOM 409 CD GLU A 26 -3.466 14.831 7.266 1.00 45.42 C ATOM 410 OE1 GLU A 26 -3.168 15.889 7.847 1.00 31.25 O ATOM 411 OE2 GLU A 26 -4.487 14.725 6.569 1.00 42.14 O ATOM 0 H GLU A 26 -0.431 13.014 8.817 1.00 52.42 H new ATOM 0 HA GLU A 26 -2.151 10.940 9.520 1.00 41.25 H new ATOM 0 HB2 GLU A 26 -3.864 12.393 8.506 1.00 64.34 H new ATOM 0 HB3 GLU A 26 -2.757 13.324 9.495 1.00 64.34 H new ATOM 0 HG2 GLU A 26 -1.520 14.021 7.472 1.00 51.44 H new ATOM 0 HG3 GLU A 26 -2.600 13.068 6.474 1.00 51.44 H new ATOM 418 N ILE A 27 -1.323 11.065 6.344 1.00 72.34 N ATOM 419 CA ILE A 27 -1.367 10.411 5.062 1.00 21.32 C ATOM 420 C ILE A 27 -0.677 9.074 5.159 1.00 22.25 C ATOM 421 O ILE A 27 -1.218 8.055 4.757 1.00 51.24 O ATOM 422 CB ILE A 27 -0.689 11.302 4.012 1.00 34.25 C ATOM 423 CG1 ILE A 27 -1.388 12.658 4.029 1.00 44.31 C ATOM 424 CG2 ILE A 27 -0.752 10.666 2.616 1.00 34.03 C ATOM 425 CD1 ILE A 27 -0.794 13.663 3.121 1.00 14.20 C ATOM 0 H ILE A 27 -0.687 11.862 6.372 1.00 72.34 H new ATOM 0 HA ILE A 27 -2.402 10.246 4.761 1.00 21.32 H new ATOM 0 HB ILE A 27 0.368 11.421 4.252 1.00 34.25 H new ATOM 0 HG12 ILE A 27 -2.435 12.517 3.760 1.00 44.31 H new ATOM 0 HG13 ILE A 27 -1.370 13.050 5.046 1.00 44.31 H new ATOM 0 HG21 ILE A 27 -0.263 11.322 1.895 1.00 34.03 H new ATOM 0 HG22 ILE A 27 -0.244 9.702 2.632 1.00 34.03 H new ATOM 0 HG23 ILE A 27 -1.793 10.523 2.328 1.00 34.03 H new ATOM 0 HD11 ILE A 27 -1.352 14.596 3.196 1.00 14.20 H new ATOM 0 HD12 ILE A 27 0.245 13.838 3.401 1.00 14.20 H new ATOM 0 HD13 ILE A 27 -0.836 13.297 2.095 1.00 14.20 H new ATOM 437 N TYR A 28 0.488 9.094 5.782 1.00 41.24 N ATOM 438 CA TYR A 28 1.302 7.909 6.016 1.00 71.15 C ATOM 439 C TYR A 28 0.469 6.865 6.763 1.00 33.03 C ATOM 440 O TYR A 28 0.313 5.725 6.322 1.00 51.43 O ATOM 441 CB TYR A 28 2.486 8.304 6.897 1.00 31.23 C ATOM 442 CG TYR A 28 3.535 7.240 7.077 1.00 41.30 C ATOM 443 CD1 TYR A 28 4.562 7.085 6.161 1.00 73.50 C ATOM 444 CD2 TYR A 28 3.502 6.391 8.169 1.00 52.51 C ATOM 445 CE1 TYR A 28 5.520 6.118 6.330 1.00 33.21 C ATOM 446 CE2 TYR A 28 4.458 5.424 8.342 1.00 32.21 C ATOM 447 CZ TYR A 28 5.463 5.291 7.428 1.00 5.52 C ATOM 448 OH TYR A 28 6.423 4.328 7.618 1.00 73.23 O ATOM 0 H TYR A 28 0.905 9.950 6.148 1.00 41.24 H new ATOM 0 HA TYR A 28 1.647 7.500 5.066 1.00 71.15 H new ATOM 0 HB2 TYR A 28 2.958 9.188 6.468 1.00 31.23 H new ATOM 0 HB3 TYR A 28 2.108 8.589 7.879 1.00 31.23 H new ATOM 0 HD1 TYR A 28 4.609 7.736 5.300 1.00 73.50 H new ATOM 0 HD2 TYR A 28 2.710 6.492 8.897 1.00 52.51 H new ATOM 0 HE1 TYR A 28 6.314 6.007 5.606 1.00 33.21 H new ATOM 0 HE2 TYR A 28 4.416 4.769 9.200 1.00 32.21 H new ATOM 0 HH TYR A 28 6.232 3.834 8.443 1.00 73.23 H new ATOM 458 N ARG A 29 -0.103 7.303 7.866 1.00 3.13 N ATOM 459 CA ARG A 29 -0.889 6.457 8.736 1.00 3.23 C ATOM 460 C ARG A 29 -2.164 5.970 8.051 1.00 53.24 C ATOM 461 O ARG A 29 -2.583 4.830 8.244 1.00 10.23 O ATOM 462 CB ARG A 29 -1.221 7.206 10.003 1.00 44.52 C ATOM 463 CG ARG A 29 -0.009 7.514 10.854 1.00 25.52 C ATOM 464 CD ARG A 29 -0.291 8.699 11.724 1.00 24.44 C ATOM 465 NE ARG A 29 0.844 9.081 12.585 1.00 23.12 N ATOM 466 CZ ARG A 29 0.929 10.243 13.266 1.00 45.44 C ATOM 467 NH1 ARG A 29 -0.061 11.124 13.202 1.00 4.21 N ATOM 468 NH2 ARG A 29 1.995 10.508 14.004 1.00 42.43 N ATOM 0 H ARG A 29 -0.033 8.269 8.186 1.00 3.13 H new ATOM 0 HA ARG A 29 -0.297 5.575 8.980 1.00 3.23 H new ATOM 0 HB2 ARG A 29 -1.721 8.140 9.744 1.00 44.52 H new ATOM 0 HB3 ARG A 29 -1.927 6.618 10.589 1.00 44.52 H new ATOM 0 HG2 ARG A 29 0.244 6.651 11.470 1.00 25.52 H new ATOM 0 HG3 ARG A 29 0.853 7.715 10.217 1.00 25.52 H new ATOM 0 HD2 ARG A 29 -0.560 9.547 11.094 1.00 24.44 H new ATOM 0 HD3 ARG A 29 -1.155 8.482 12.351 1.00 24.44 H new ATOM 0 HE ARG A 29 1.618 8.422 12.672 1.00 23.12 H new ATOM 0 HH11 ARG A 29 -0.887 10.923 12.638 1.00 4.21 H new ATOM 0 HH12 ARG A 29 0.004 12.002 13.717 1.00 4.21 H new ATOM 0 HH21 ARG A 29 2.757 9.833 14.060 1.00 42.43 H new ATOM 0 HH22 ARG A 29 2.054 11.388 14.517 1.00 42.43 H new ATOM 482 N SER A 30 -2.762 6.821 7.227 1.00 21.14 N ATOM 483 CA SER A 30 -3.965 6.444 6.508 1.00 14.20 C ATOM 484 C SER A 30 -3.647 5.397 5.462 1.00 21.44 C ATOM 485 O SER A 30 -4.459 4.562 5.147 1.00 44.45 O ATOM 486 CB SER A 30 -4.643 7.657 5.881 1.00 55.04 C ATOM 487 OG SER A 30 -5.062 8.580 6.890 1.00 5.01 O ATOM 0 H SER A 30 -2.434 7.769 7.043 1.00 21.14 H new ATOM 0 HA SER A 30 -4.666 6.015 7.224 1.00 14.20 H new ATOM 0 HB2 SER A 30 -3.955 8.149 5.194 1.00 55.04 H new ATOM 0 HB3 SER A 30 -5.504 7.336 5.295 1.00 55.04 H new ATOM 0 HG SER A 30 -4.351 9.235 7.050 1.00 5.01 H new ATOM 493 N PHE A 31 -2.454 5.434 4.945 1.00 22.25 N ATOM 494 CA PHE A 31 -2.043 4.433 4.016 1.00 30.04 C ATOM 495 C PHE A 31 -1.874 3.107 4.715 1.00 24.25 C ATOM 496 O PHE A 31 -2.301 2.066 4.214 1.00 35.13 O ATOM 497 CB PHE A 31 -0.767 4.825 3.323 1.00 24.15 C ATOM 498 CG PHE A 31 -0.201 3.699 2.557 1.00 10.32 C ATOM 499 CD1 PHE A 31 -0.818 3.275 1.399 1.00 52.13 C ATOM 500 CD2 PHE A 31 0.903 3.031 3.023 1.00 22.34 C ATOM 501 CE1 PHE A 31 -0.345 2.206 0.704 1.00 44.14 C ATOM 502 CE2 PHE A 31 1.406 1.953 2.338 1.00 32.23 C ATOM 503 CZ PHE A 31 0.781 1.532 1.165 1.00 74.53 C ATOM 0 H PHE A 31 -1.753 6.146 5.152 1.00 22.25 H new ATOM 0 HA PHE A 31 -2.821 4.336 3.259 1.00 30.04 H new ATOM 0 HB2 PHE A 31 -0.958 5.663 2.653 1.00 24.15 H new ATOM 0 HB3 PHE A 31 -0.041 5.166 4.061 1.00 24.15 H new ATOM 0 HD1 PHE A 31 -1.690 3.800 1.038 1.00 52.13 H new ATOM 0 HD2 PHE A 31 1.380 3.356 3.936 1.00 22.34 H new ATOM 0 HE1 PHE A 31 -0.840 1.883 -0.200 1.00 44.14 H new ATOM 0 HE2 PHE A 31 2.280 1.435 2.705 1.00 32.23 H new ATOM 0 HZ PHE A 31 1.169 0.686 0.617 1.00 74.53 H new ATOM 513 N LEU A 32 -1.244 3.154 5.859 1.00 12.14 N ATOM 514 CA LEU A 32 -1.033 1.997 6.680 1.00 55.43 C ATOM 515 C LEU A 32 -2.354 1.320 7.024 1.00 14.43 C ATOM 516 O LEU A 32 -2.432 0.093 7.086 1.00 24.34 O ATOM 517 CB LEU A 32 -0.278 2.409 7.930 1.00 62.53 C ATOM 518 CG LEU A 32 1.129 2.949 7.706 1.00 73.35 C ATOM 519 CD1 LEU A 32 1.772 3.255 9.028 1.00 52.31 C ATOM 520 CD2 LEU A 32 1.989 1.977 6.884 1.00 14.51 C ATOM 0 H LEU A 32 -0.858 4.013 6.251 1.00 12.14 H new ATOM 0 HA LEU A 32 -0.438 1.267 6.131 1.00 55.43 H new ATOM 0 HB2 LEU A 32 -0.861 3.170 8.450 1.00 62.53 H new ATOM 0 HB3 LEU A 32 -0.215 1.547 8.594 1.00 62.53 H new ATOM 0 HG LEU A 32 1.053 3.870 7.127 1.00 73.35 H new ATOM 0 HD11 LEU A 32 2.778 3.641 8.863 1.00 52.31 H new ATOM 0 HD12 LEU A 32 1.179 4.002 9.557 1.00 52.31 H new ATOM 0 HD13 LEU A 32 1.826 2.345 9.626 1.00 52.31 H new ATOM 0 HD21 LEU A 32 2.985 2.399 6.747 1.00 14.51 H new ATOM 0 HD22 LEU A 32 2.068 1.026 7.411 1.00 14.51 H new ATOM 0 HD23 LEU A 32 1.526 1.815 5.911 1.00 14.51 H new ATOM 532 N GLU A 33 -3.402 2.117 7.173 1.00 54.04 N ATOM 533 CA GLU A 33 -4.706 1.588 7.484 1.00 10.44 C ATOM 534 C GLU A 33 -5.289 0.876 6.243 1.00 25.14 C ATOM 535 O GLU A 33 -5.963 -0.144 6.364 1.00 71.14 O ATOM 536 CB GLU A 33 -5.636 2.701 8.005 1.00 43.25 C ATOM 537 CG GLU A 33 -6.487 3.420 6.958 1.00 1.23 C ATOM 538 CD GLU A 33 -7.330 4.498 7.566 1.00 54.21 C ATOM 539 OE1 GLU A 33 -8.292 4.168 8.299 1.00 33.34 O ATOM 540 OE2 GLU A 33 -7.070 5.690 7.328 1.00 72.12 O ATOM 0 H GLU A 33 -3.367 3.132 7.082 1.00 54.04 H new ATOM 0 HA GLU A 33 -4.617 0.851 8.282 1.00 10.44 H new ATOM 0 HB2 GLU A 33 -6.304 2.268 8.749 1.00 43.25 H new ATOM 0 HB3 GLU A 33 -5.026 3.444 8.518 1.00 43.25 H new ATOM 0 HG2 GLU A 33 -5.837 3.853 6.198 1.00 1.23 H new ATOM 0 HG3 GLU A 33 -7.129 2.698 6.454 1.00 1.23 H new ATOM 547 N ILE A 34 -4.980 1.406 5.051 1.00 72.34 N ATOM 548 CA ILE A 34 -5.399 0.838 3.797 1.00 73.11 C ATOM 549 C ILE A 34 -4.670 -0.460 3.573 1.00 5.34 C ATOM 550 O ILE A 34 -5.258 -1.435 3.160 1.00 51.44 O ATOM 551 CB ILE A 34 -5.078 1.801 2.630 1.00 24.54 C ATOM 552 CG1 ILE A 34 -5.837 3.103 2.811 1.00 33.34 C ATOM 553 CG2 ILE A 34 -5.398 1.163 1.279 1.00 54.11 C ATOM 554 CD1 ILE A 34 -5.413 4.180 1.861 1.00 12.02 C ATOM 0 H ILE A 34 -4.423 2.254 4.948 1.00 72.34 H new ATOM 0 HA ILE A 34 -6.475 0.668 3.832 1.00 73.11 H new ATOM 0 HB ILE A 34 -4.009 2.014 2.642 1.00 24.54 H new ATOM 0 HG12 ILE A 34 -6.903 2.914 2.681 1.00 33.34 H new ATOM 0 HG13 ILE A 34 -5.698 3.456 3.833 1.00 33.34 H new ATOM 0 HG21 ILE A 34 -5.161 1.865 0.480 1.00 54.11 H new ATOM 0 HG22 ILE A 34 -4.804 0.258 1.154 1.00 54.11 H new ATOM 0 HG23 ILE A 34 -6.457 0.910 1.238 1.00 54.11 H new ATOM 0 HD11 ILE A 34 -5.997 5.081 2.048 1.00 12.02 H new ATOM 0 HD12 ILE A 34 -4.355 4.397 2.006 1.00 12.02 H new ATOM 0 HD13 ILE A 34 -5.578 3.847 0.836 1.00 12.02 H new ATOM 566 N LEU A 35 -3.387 -0.464 3.868 1.00 41.03 N ATOM 567 CA LEU A 35 -2.569 -1.618 3.690 1.00 73.21 C ATOM 568 C LEU A 35 -3.035 -2.721 4.655 1.00 52.23 C ATOM 569 O LEU A 35 -3.155 -3.875 4.264 1.00 61.23 O ATOM 570 CB LEU A 35 -1.112 -1.218 3.926 1.00 10.30 C ATOM 571 CG LEU A 35 -0.016 -2.037 3.230 1.00 62.53 C ATOM 572 CD1 LEU A 35 0.060 -3.472 3.730 1.00 12.23 C ATOM 573 CD2 LEU A 35 -0.191 -2.005 1.716 1.00 30.43 C ATOM 0 H LEU A 35 -2.890 0.346 4.240 1.00 41.03 H new ATOM 0 HA LEU A 35 -2.654 -2.013 2.678 1.00 73.21 H new ATOM 0 HB2 LEU A 35 -0.998 -0.179 3.619 1.00 10.30 H new ATOM 0 HB3 LEU A 35 -0.926 -1.255 4.999 1.00 10.30 H new ATOM 0 HG LEU A 35 0.932 -1.564 3.487 1.00 62.53 H new ATOM 0 HD11 LEU A 35 0.853 -4.000 3.201 1.00 12.23 H new ATOM 0 HD12 LEU A 35 0.273 -3.474 4.799 1.00 12.23 H new ATOM 0 HD13 LEU A 35 -0.892 -3.971 3.549 1.00 12.23 H new ATOM 0 HD21 LEU A 35 0.598 -2.592 1.246 1.00 30.43 H new ATOM 0 HD22 LEU A 35 -1.162 -2.425 1.453 1.00 30.43 H new ATOM 0 HD23 LEU A 35 -0.134 -0.975 1.365 1.00 30.43 H new ATOM 585 N HIS A 36 -3.330 -2.337 5.896 1.00 62.02 N ATOM 586 CA HIS A 36 -3.871 -3.257 6.899 1.00 23.02 C ATOM 587 C HIS A 36 -5.199 -3.839 6.385 1.00 21.43 C ATOM 588 O HIS A 36 -5.402 -5.057 6.375 1.00 10.24 O ATOM 589 CB HIS A 36 -4.078 -2.503 8.226 1.00 52.31 C ATOM 590 CG HIS A 36 -4.586 -3.340 9.362 1.00 32.03 C ATOM 591 ND1 HIS A 36 -5.833 -3.191 9.928 1.00 21.32 N ATOM 592 CD2 HIS A 36 -3.970 -4.321 10.062 1.00 15.41 C ATOM 593 CE1 HIS A 36 -5.938 -4.055 10.930 1.00 54.12 C ATOM 594 NE2 HIS A 36 -4.830 -4.775 11.059 1.00 44.04 N ATOM 0 H HIS A 36 -3.202 -1.384 6.235 1.00 62.02 H new ATOM 0 HA HIS A 36 -3.174 -4.077 7.074 1.00 23.02 H new ATOM 0 HB2 HIS A 36 -3.130 -2.054 8.522 1.00 52.31 H new ATOM 0 HB3 HIS A 36 -4.779 -1.686 8.056 1.00 52.31 H new ATOM 0 HD2 HIS A 36 -2.973 -4.692 9.877 1.00 15.41 H new ATOM 0 HE1 HIS A 36 -6.810 -4.159 11.558 1.00 54.12 H new ATOM 0 HE2 HIS A 36 -4.647 -5.507 11.745 1.00 44.04 H new ATOM 602 N THR A 37 -6.063 -2.945 5.935 1.00 74.00 N ATOM 603 CA THR A 37 -7.335 -3.265 5.298 1.00 11.21 C ATOM 604 C THR A 37 -7.137 -4.252 4.143 1.00 40.35 C ATOM 605 O THR A 37 -7.820 -5.275 4.042 1.00 53.14 O ATOM 606 CB THR A 37 -7.936 -1.932 4.775 1.00 11.11 C ATOM 607 OG1 THR A 37 -8.453 -1.158 5.862 1.00 14.30 O ATOM 608 CG2 THR A 37 -8.956 -2.087 3.646 1.00 44.13 C ATOM 0 H THR A 37 -5.895 -1.941 6.004 1.00 74.00 H new ATOM 0 HA THR A 37 -8.007 -3.739 6.013 1.00 11.21 H new ATOM 0 HB THR A 37 -7.109 -1.392 4.313 1.00 11.11 H new ATOM 0 HG1 THR A 37 -7.726 -0.645 6.273 1.00 14.30 H new ATOM 0 HG21 THR A 37 -9.320 -1.104 3.347 1.00 44.13 H new ATOM 0 HG22 THR A 37 -8.483 -2.574 2.793 1.00 44.13 H new ATOM 0 HG23 THR A 37 -9.793 -2.694 3.992 1.00 44.13 H new ATOM 616 N TYR A 38 -6.170 -3.955 3.326 1.00 55.31 N ATOM 617 CA TYR A 38 -5.860 -4.723 2.170 1.00 1.32 C ATOM 618 C TYR A 38 -5.379 -6.122 2.549 1.00 61.42 C ATOM 619 O TYR A 38 -5.706 -7.101 1.879 1.00 14.22 O ATOM 620 CB TYR A 38 -4.816 -3.974 1.348 1.00 71.01 C ATOM 621 CG TYR A 38 -4.526 -4.600 0.051 1.00 71.44 C ATOM 622 CD1 TYR A 38 -5.313 -4.308 -1.021 1.00 64.10 C ATOM 623 CD2 TYR A 38 -3.483 -5.487 -0.104 1.00 51.25 C ATOM 624 CE1 TYR A 38 -5.081 -4.895 -2.255 1.00 75.30 C ATOM 625 CE2 TYR A 38 -3.234 -6.074 -1.317 1.00 52.35 C ATOM 626 CZ TYR A 38 -4.034 -5.777 -2.390 1.00 60.30 C ATOM 627 OH TYR A 38 -3.794 -6.382 -3.587 1.00 14.32 O ATOM 0 H TYR A 38 -5.561 -3.147 3.455 1.00 55.31 H new ATOM 0 HA TYR A 38 -6.760 -4.855 1.569 1.00 1.32 H new ATOM 0 HB2 TYR A 38 -5.162 -2.954 1.180 1.00 71.01 H new ATOM 0 HB3 TYR A 38 -3.893 -3.907 1.924 1.00 71.01 H new ATOM 0 HD1 TYR A 38 -6.129 -3.610 -0.908 1.00 64.10 H new ATOM 0 HD2 TYR A 38 -2.854 -5.723 0.741 1.00 51.25 H new ATOM 0 HE1 TYR A 38 -5.714 -4.663 -3.099 1.00 75.30 H new ATOM 0 HE2 TYR A 38 -2.413 -6.766 -1.427 1.00 52.35 H new ATOM 0 HH TYR A 38 -3.016 -6.973 -3.505 1.00 14.32 H new ATOM 637 N GLN A 39 -4.630 -6.221 3.634 1.00 34.13 N ATOM 638 CA GLN A 39 -4.143 -7.507 4.091 1.00 53.42 C ATOM 639 C GLN A 39 -5.269 -8.380 4.598 1.00 64.24 C ATOM 640 O GLN A 39 -5.201 -9.591 4.503 1.00 33.03 O ATOM 641 CB GLN A 39 -3.025 -7.382 5.117 1.00 44.11 C ATOM 642 CG GLN A 39 -1.771 -6.729 4.560 1.00 20.21 C ATOM 643 CD GLN A 39 -1.232 -7.431 3.314 1.00 25.44 C ATOM 644 OE1 GLN A 39 -1.378 -8.643 3.137 1.00 73.24 O ATOM 645 NE2 GLN A 39 -0.624 -6.677 2.435 1.00 3.21 N ATOM 0 H GLN A 39 -4.348 -5.429 4.211 1.00 34.13 H new ATOM 0 HA GLN A 39 -3.709 -7.999 3.221 1.00 53.42 H new ATOM 0 HB2 GLN A 39 -3.383 -6.800 5.966 1.00 44.11 H new ATOM 0 HB3 GLN A 39 -2.774 -8.374 5.494 1.00 44.11 H new ATOM 0 HG2 GLN A 39 -1.987 -5.688 4.318 1.00 20.21 H new ATOM 0 HG3 GLN A 39 -0.999 -6.724 5.329 1.00 20.21 H new ATOM 0 HE21 GLN A 39 -0.517 -5.677 2.607 1.00 3.21 H new ATOM 0 HE22 GLN A 39 -0.257 -7.089 1.577 1.00 3.21 H new ATOM 904 N GLU A 55 -9.249 -4.594 -5.450 1.00 15.21 N ATOM 905 CA GLU A 55 -8.071 -4.014 -6.083 1.00 31.22 C ATOM 906 C GLU A 55 -8.270 -2.604 -6.684 1.00 21.52 C ATOM 907 O GLU A 55 -7.519 -1.686 -6.350 1.00 41.14 O ATOM 908 CB GLU A 55 -7.638 -5.032 -7.138 1.00 4.53 C ATOM 909 CG GLU A 55 -6.443 -4.685 -7.968 1.00 61.21 C ATOM 910 CD GLU A 55 -6.724 -3.733 -9.104 1.00 50.43 C ATOM 911 OE1 GLU A 55 -7.651 -3.986 -9.894 1.00 51.02 O ATOM 912 OE2 GLU A 55 -6.043 -2.708 -9.208 1.00 1.12 O ATOM 0 HA GLU A 55 -7.305 -3.836 -5.328 1.00 31.22 H new ATOM 0 HB2 GLU A 55 -7.437 -5.977 -6.634 1.00 4.53 H new ATOM 0 HB3 GLU A 55 -8.479 -5.202 -7.810 1.00 4.53 H new ATOM 0 HG2 GLU A 55 -5.683 -4.245 -7.322 1.00 61.21 H new ATOM 0 HG3 GLU A 55 -6.021 -5.603 -8.376 1.00 61.21 H new ATOM 919 N GLU A 56 -9.247 -2.437 -7.528 1.00 73.35 N ATOM 920 CA GLU A 56 -9.507 -1.151 -8.155 1.00 12.12 C ATOM 921 C GLU A 56 -9.856 -0.079 -7.119 1.00 62.02 C ATOM 922 O GLU A 56 -9.346 1.053 -7.173 1.00 10.05 O ATOM 923 CB GLU A 56 -10.602 -1.281 -9.206 1.00 60.11 C ATOM 924 CG GLU A 56 -10.953 0.011 -9.900 1.00 10.03 C ATOM 925 CD GLU A 56 -12.021 -0.170 -10.939 1.00 3.13 C ATOM 926 OE1 GLU A 56 -13.199 -0.423 -10.565 1.00 74.55 O ATOM 927 OE2 GLU A 56 -11.716 -0.081 -12.144 1.00 14.12 O ATOM 0 H GLU A 56 -9.890 -3.178 -7.807 1.00 73.35 H new ATOM 0 HA GLU A 56 -8.592 -0.830 -8.653 1.00 12.12 H new ATOM 0 HB2 GLU A 56 -10.286 -2.008 -9.955 1.00 60.11 H new ATOM 0 HB3 GLU A 56 -11.499 -1.680 -8.732 1.00 60.11 H new ATOM 0 HG2 GLU A 56 -11.289 0.738 -9.161 1.00 10.03 H new ATOM 0 HG3 GLU A 56 -10.059 0.423 -10.369 1.00 10.03 H new ATOM 934 N GLU A 57 -10.659 -0.441 -6.142 1.00 63.50 N ATOM 935 CA GLU A 57 -11.053 0.504 -5.131 1.00 74.42 C ATOM 936 C GLU A 57 -9.912 0.664 -4.110 1.00 1.23 C ATOM 937 O GLU A 57 -9.816 1.690 -3.421 1.00 32.05 O ATOM 938 CB GLU A 57 -12.368 0.088 -4.486 1.00 13.11 C ATOM 939 CG GLU A 57 -12.214 -0.715 -3.253 1.00 42.53 C ATOM 940 CD GLU A 57 -13.504 -1.263 -2.758 1.00 5.21 C ATOM 941 OE1 GLU A 57 -14.368 -0.490 -2.301 1.00 23.11 O ATOM 942 OE2 GLU A 57 -13.697 -2.480 -2.836 1.00 41.22 O ATOM 0 H GLU A 57 -11.047 -1.377 -6.030 1.00 63.50 H new ATOM 0 HA GLU A 57 -11.232 1.479 -5.584 1.00 74.42 H new ATOM 0 HB2 GLU A 57 -12.944 0.983 -4.253 1.00 13.11 H new ATOM 0 HB3 GLU A 57 -12.948 -0.485 -5.209 1.00 13.11 H new ATOM 0 HG2 GLU A 57 -11.525 -1.537 -3.444 1.00 42.53 H new ATOM 0 HG3 GLU A 57 -11.765 -0.097 -2.476 1.00 42.53 H new ATOM 949 N VAL A 58 -9.039 -0.350 -4.046 1.00 63.50 N ATOM 950 CA VAL A 58 -7.845 -0.311 -3.264 1.00 55.54 C ATOM 951 C VAL A 58 -6.944 0.757 -3.829 1.00 70.41 C ATOM 952 O VAL A 58 -6.556 1.689 -3.126 1.00 32.01 O ATOM 953 CB VAL A 58 -7.102 -1.682 -3.286 1.00 53.21 C ATOM 954 CG1 VAL A 58 -5.679 -1.536 -2.842 1.00 1.40 C ATOM 955 CG2 VAL A 58 -7.803 -2.697 -2.411 1.00 10.50 C ATOM 0 H VAL A 58 -9.166 -1.226 -4.553 1.00 63.50 H new ATOM 0 HA VAL A 58 -8.108 -0.092 -2.229 1.00 55.54 H new ATOM 0 HB VAL A 58 -7.114 -2.036 -4.317 1.00 53.21 H new ATOM 0 HG11 VAL A 58 -5.188 -2.509 -2.868 1.00 1.40 H new ATOM 0 HG12 VAL A 58 -5.158 -0.849 -3.509 1.00 1.40 H new ATOM 0 HG13 VAL A 58 -5.653 -1.144 -1.825 1.00 1.40 H new ATOM 0 HG21 VAL A 58 -7.262 -3.643 -2.446 1.00 10.50 H new ATOM 0 HG22 VAL A 58 -7.832 -2.334 -1.384 1.00 10.50 H new ATOM 0 HG23 VAL A 58 -8.821 -2.847 -2.772 1.00 10.50 H new ATOM 965 N PHE A 59 -6.677 0.645 -5.130 1.00 31.35 N ATOM 966 CA PHE A 59 -5.824 1.573 -5.837 1.00 43.21 C ATOM 967 C PHE A 59 -6.401 2.976 -5.755 1.00 2.21 C ATOM 968 O PHE A 59 -5.666 3.939 -5.722 1.00 71.40 O ATOM 969 CB PHE A 59 -5.629 1.134 -7.299 1.00 11.13 C ATOM 970 CG PHE A 59 -4.638 1.974 -8.072 1.00 42.13 C ATOM 971 CD1 PHE A 59 -3.273 1.810 -7.877 1.00 12.12 C ATOM 972 CD2 PHE A 59 -5.068 2.925 -8.987 1.00 64.50 C ATOM 973 CE1 PHE A 59 -2.360 2.577 -8.576 1.00 4.41 C ATOM 974 CE2 PHE A 59 -4.158 3.694 -9.689 1.00 70.11 C ATOM 975 CZ PHE A 59 -2.804 3.519 -9.483 1.00 10.14 C ATOM 0 H PHE A 59 -7.053 -0.099 -5.717 1.00 31.35 H new ATOM 0 HA PHE A 59 -4.842 1.578 -5.363 1.00 43.21 H new ATOM 0 HB2 PHE A 59 -5.297 0.096 -7.314 1.00 11.13 H new ATOM 0 HB3 PHE A 59 -6.592 1.168 -7.808 1.00 11.13 H new ATOM 0 HD1 PHE A 59 -2.920 1.074 -7.170 1.00 12.12 H new ATOM 0 HD2 PHE A 59 -6.126 3.066 -9.153 1.00 64.50 H new ATOM 0 HE1 PHE A 59 -1.301 2.440 -8.413 1.00 4.41 H new ATOM 0 HE2 PHE A 59 -4.506 4.431 -10.398 1.00 70.11 H new ATOM 0 HZ PHE A 59 -2.092 4.119 -10.031 1.00 10.14 H new ATOM 985 N THR A 60 -7.722 3.069 -5.661 1.00 15.34 N ATOM 986 CA THR A 60 -8.393 4.287 -5.495 1.00 54.51 C ATOM 987 C THR A 60 -7.961 4.971 -4.175 1.00 31.22 C ATOM 988 O THR A 60 -7.592 6.142 -4.173 1.00 2.11 O ATOM 989 CB THR A 60 -9.896 4.010 -5.480 1.00 74.12 C ATOM 990 OG1 THR A 60 -10.350 3.541 -6.767 1.00 1.55 O ATOM 991 CG2 THR A 60 -10.642 5.216 -5.064 1.00 23.41 C ATOM 0 H THR A 60 -8.343 2.261 -5.703 1.00 15.34 H new ATOM 0 HA THR A 60 -8.144 4.959 -6.316 1.00 54.51 H new ATOM 0 HB THR A 60 -10.088 3.221 -4.753 1.00 74.12 H new ATOM 0 HG1 THR A 60 -9.931 2.678 -6.967 1.00 1.55 H new ATOM 0 HG21 THR A 60 -11.710 4.999 -5.059 1.00 23.41 H new ATOM 0 HG22 THR A 60 -10.327 5.511 -4.063 1.00 23.41 H new ATOM 0 HG23 THR A 60 -10.439 6.028 -5.762 1.00 23.41 H new ATOM 999 N GLU A 61 -7.936 4.209 -3.077 1.00 45.24 N ATOM 1000 CA GLU A 61 -7.607 4.765 -1.789 1.00 45.14 C ATOM 1001 C GLU A 61 -6.150 5.167 -1.763 1.00 41.23 C ATOM 1002 O GLU A 61 -5.786 6.186 -1.198 1.00 24.02 O ATOM 1003 CB GLU A 61 -7.856 3.741 -0.712 1.00 12.14 C ATOM 1004 CG GLU A 61 -9.286 3.346 -0.595 1.00 50.24 C ATOM 1005 CD GLU A 61 -10.151 4.412 0.016 1.00 11.21 C ATOM 1006 OE1 GLU A 61 -10.102 4.586 1.246 1.00 4.02 O ATOM 1007 OE2 GLU A 61 -10.939 5.049 -0.717 1.00 35.34 O ATOM 0 H GLU A 61 -8.141 3.210 -3.068 1.00 45.24 H new ATOM 0 HA GLU A 61 -8.232 5.641 -1.612 1.00 45.14 H new ATOM 0 HB2 GLU A 61 -7.257 2.854 -0.918 1.00 12.14 H new ATOM 0 HB3 GLU A 61 -7.517 4.140 0.244 1.00 12.14 H new ATOM 0 HG2 GLU A 61 -9.670 3.100 -1.585 1.00 50.24 H new ATOM 0 HG3 GLU A 61 -9.357 2.441 0.008 1.00 50.24 H new ATOM 1014 N VAL A 62 -5.339 4.357 -2.415 1.00 24.11 N ATOM 1015 CA VAL A 62 -3.903 4.553 -2.486 1.00 71.14 C ATOM 1016 C VAL A 62 -3.557 5.753 -3.399 1.00 71.32 C ATOM 1017 O VAL A 62 -2.664 6.531 -3.094 1.00 53.01 O ATOM 1018 CB VAL A 62 -3.202 3.258 -2.984 1.00 65.22 C ATOM 1019 CG1 VAL A 62 -1.705 3.385 -2.920 1.00 53.40 C ATOM 1020 CG2 VAL A 62 -3.643 2.072 -2.157 1.00 51.10 C ATOM 0 H VAL A 62 -5.664 3.531 -2.918 1.00 24.11 H new ATOM 0 HA VAL A 62 -3.537 4.777 -1.484 1.00 71.14 H new ATOM 0 HB VAL A 62 -3.491 3.106 -4.024 1.00 65.22 H new ATOM 0 HG11 VAL A 62 -1.246 2.462 -3.275 1.00 53.40 H new ATOM 0 HG12 VAL A 62 -1.383 4.216 -3.548 1.00 53.40 H new ATOM 0 HG13 VAL A 62 -1.399 3.569 -1.890 1.00 53.40 H new ATOM 0 HG21 VAL A 62 -3.144 1.172 -2.517 1.00 51.10 H new ATOM 0 HG22 VAL A 62 -3.381 2.239 -1.112 1.00 51.10 H new ATOM 0 HG23 VAL A 62 -4.722 1.948 -2.245 1.00 51.10 H new ATOM 1030 N ALA A 63 -4.296 5.913 -4.486 1.00 41.02 N ATOM 1031 CA ALA A 63 -4.113 7.059 -5.399 1.00 23.05 C ATOM 1032 C ALA A 63 -4.547 8.339 -4.709 1.00 54.40 C ATOM 1033 O ALA A 63 -4.021 9.398 -4.944 1.00 72.32 O ATOM 1034 CB ALA A 63 -4.897 6.862 -6.688 1.00 34.51 C ATOM 0 H ALA A 63 -5.034 5.268 -4.768 1.00 41.02 H new ATOM 0 HA ALA A 63 -3.056 7.130 -5.657 1.00 23.05 H new ATOM 0 HB1 ALA A 63 -4.744 7.721 -7.342 1.00 34.51 H new ATOM 0 HB2 ALA A 63 -4.551 5.958 -7.190 1.00 34.51 H new ATOM 0 HB3 ALA A 63 -5.958 6.766 -6.457 1.00 34.51 H new ATOM 1040 N ASN A 64 -5.522 8.192 -3.856 1.00 55.11 N ATOM 1041 CA ASN A 64 -6.036 9.255 -2.994 1.00 25.21 C ATOM 1042 C ASN A 64 -5.061 9.559 -1.870 1.00 52.31 C ATOM 1043 O ASN A 64 -5.021 10.665 -1.339 1.00 32.25 O ATOM 1044 CB ASN A 64 -7.399 8.824 -2.466 1.00 3.23 C ATOM 1045 CG ASN A 64 -7.769 9.303 -1.068 1.00 42.15 C ATOM 1046 OD1 ASN A 64 -8.325 10.382 -0.880 1.00 23.20 O ATOM 1047 ND2 ASN A 64 -7.499 8.475 -0.089 1.00 55.21 N ATOM 0 H ASN A 64 -6.007 7.304 -3.727 1.00 55.11 H new ATOM 0 HA ASN A 64 -6.149 10.179 -3.561 1.00 25.21 H new ATOM 0 HB2 ASN A 64 -8.161 9.177 -3.161 1.00 3.23 H new ATOM 0 HB3 ASN A 64 -7.440 7.735 -2.475 1.00 3.23 H new ATOM 0 HD21 ASN A 64 -7.752 8.718 0.869 1.00 55.21 H new ATOM 0 HD22 ASN A 64 -7.036 7.587 -0.285 1.00 55.21 H new ATOM 1054 N LEU A 65 -4.321 8.579 -1.497 1.00 54.33 N ATOM 1055 CA LEU A 65 -3.365 8.693 -0.471 1.00 45.34 C ATOM 1056 C LEU A 65 -2.153 9.451 -1.048 1.00 42.15 C ATOM 1057 O LEU A 65 -1.798 10.538 -0.593 1.00 31.32 O ATOM 1058 CB LEU A 65 -2.970 7.272 -0.094 1.00 71.53 C ATOM 1059 CG LEU A 65 -2.370 6.986 1.249 1.00 54.34 C ATOM 1060 CD1 LEU A 65 -1.071 7.666 1.419 1.00 41.21 C ATOM 1061 CD2 LEU A 65 -3.302 7.309 2.361 1.00 3.21 C ATOM 0 H LEU A 65 -4.370 7.649 -1.914 1.00 54.33 H new ATOM 0 HA LEU A 65 -3.739 9.227 0.403 1.00 45.34 H new ATOM 0 HB2 LEU A 65 -3.863 6.653 -0.187 1.00 71.53 H new ATOM 0 HB3 LEU A 65 -2.261 6.924 -0.845 1.00 71.53 H new ATOM 0 HG LEU A 65 -2.188 5.912 1.290 1.00 54.34 H new ATOM 0 HD11 LEU A 65 -0.666 7.436 2.404 1.00 41.21 H new ATOM 0 HD12 LEU A 65 -0.377 7.322 0.652 1.00 41.21 H new ATOM 0 HD13 LEU A 65 -1.209 8.743 1.326 1.00 41.21 H new ATOM 0 HD21 LEU A 65 -2.823 7.085 3.314 1.00 3.21 H new ATOM 0 HD22 LEU A 65 -3.559 8.368 2.324 1.00 3.21 H new ATOM 0 HD23 LEU A 65 -4.208 6.712 2.261 1.00 3.21 H new ATOM 1073 N PHE A 66 -1.577 8.889 -2.099 1.00 33.23 N ATOM 1074 CA PHE A 66 -0.383 9.432 -2.727 1.00 22.31 C ATOM 1075 C PHE A 66 -0.767 10.205 -3.977 1.00 53.03 C ATOM 1076 O PHE A 66 -0.169 10.006 -5.037 1.00 73.12 O ATOM 1077 CB PHE A 66 0.569 8.302 -3.158 1.00 31.34 C ATOM 1078 CG PHE A 66 0.912 7.280 -2.107 1.00 32.02 C ATOM 1079 CD1 PHE A 66 1.498 7.651 -0.922 1.00 24.44 C ATOM 1080 CD2 PHE A 66 0.665 5.942 -2.325 1.00 1.32 C ATOM 1081 CE1 PHE A 66 1.827 6.711 0.026 1.00 21.43 C ATOM 1082 CE2 PHE A 66 0.996 4.997 -1.384 1.00 12.32 C ATOM 1083 CZ PHE A 66 1.576 5.383 -0.207 1.00 13.14 C ATOM 0 H PHE A 66 -1.926 8.039 -2.542 1.00 33.23 H new ATOM 0 HA PHE A 66 0.109 10.079 -2.001 1.00 22.31 H new ATOM 0 HB2 PHE A 66 0.122 7.783 -4.006 1.00 31.34 H new ATOM 0 HB3 PHE A 66 1.496 8.753 -3.512 1.00 31.34 H new ATOM 0 HD1 PHE A 66 1.703 8.694 -0.732 1.00 24.44 H new ATOM 0 HD2 PHE A 66 0.204 5.631 -3.251 1.00 1.32 H new ATOM 0 HE1 PHE A 66 2.284 7.019 0.955 1.00 21.43 H new ATOM 0 HE2 PHE A 66 0.799 3.952 -1.573 1.00 12.32 H new ATOM 0 HZ PHE A 66 1.836 4.644 0.537 1.00 13.14 H new ATOM 1093 N ARG A 67 -1.745 11.085 -3.854 1.00 60.21 N ATOM 1094 CA ARG A 67 -2.255 11.860 -4.993 1.00 14.41 C ATOM 1095 C ARG A 67 -1.135 12.563 -5.758 1.00 51.03 C ATOM 1096 O ARG A 67 -0.345 13.322 -5.177 1.00 12.24 O ATOM 1097 CB ARG A 67 -3.284 12.902 -4.556 1.00 54.44 C ATOM 1098 CG ARG A 67 -4.437 12.360 -3.783 1.00 64.03 C ATOM 1099 CD ARG A 67 -5.436 13.444 -3.457 1.00 4.42 C ATOM 1100 NE ARG A 67 -6.585 12.913 -2.726 1.00 60.11 N ATOM 1101 CZ ARG A 67 -7.861 13.218 -2.985 1.00 65.14 C ATOM 1102 NH1 ARG A 67 -8.158 14.113 -3.920 1.00 33.02 N ATOM 1103 NH2 ARG A 67 -8.832 12.628 -2.303 1.00 44.53 N ATOM 0 H ARG A 67 -2.212 11.289 -2.970 1.00 60.21 H new ATOM 0 HA ARG A 67 -2.734 11.137 -5.653 1.00 14.41 H new ATOM 0 HB2 ARG A 67 -2.781 13.656 -3.950 1.00 54.44 H new ATOM 0 HB3 ARG A 67 -3.666 13.408 -5.443 1.00 54.44 H new ATOM 0 HG2 ARG A 67 -4.925 11.573 -4.358 1.00 64.03 H new ATOM 0 HG3 ARG A 67 -4.077 11.904 -2.860 1.00 64.03 H new ATOM 0 HD2 ARG A 67 -4.952 14.219 -2.863 1.00 4.42 H new ATOM 0 HD3 ARG A 67 -5.776 13.915 -4.379 1.00 4.42 H new ATOM 0 HE ARG A 67 -6.400 12.262 -1.963 1.00 60.11 H new ATOM 0 HH11 ARG A 67 -7.412 14.570 -4.444 1.00 33.02 H new ATOM 0 HH12 ARG A 67 -9.132 14.343 -4.115 1.00 33.02 H new ATOM 0 HH21 ARG A 67 -8.605 11.943 -1.582 1.00 44.53 H new ATOM 0 HH22 ARG A 67 -9.806 12.859 -2.499 1.00 44.53 H new ATOM 1117 N GLY A 68 -1.025 12.245 -7.034 1.00 70.54 N ATOM 1118 CA GLY A 68 -0.062 12.879 -7.905 1.00 75.03 C ATOM 1119 C GLY A 68 1.316 12.254 -7.825 1.00 23.11 C ATOM 1120 O GLY A 68 2.178 12.517 -8.659 1.00 34.14 O ATOM 0 H GLY A 68 -1.602 11.540 -7.493 1.00 70.54 H new ATOM 0 HA2 GLY A 68 -0.420 12.824 -8.933 1.00 75.03 H new ATOM 0 HA3 GLY A 68 0.010 13.936 -7.649 1.00 75.03 H new ATOM 1124 N GLN A 69 1.539 11.436 -6.828 1.00 53.21 N ATOM 1125 CA GLN A 69 2.812 10.813 -6.626 1.00 2.13 C ATOM 1126 C GLN A 69 2.814 9.452 -7.297 1.00 41.31 C ATOM 1127 O GLN A 69 2.745 8.407 -6.630 1.00 14.45 O ATOM 1128 CB GLN A 69 3.078 10.689 -5.135 1.00 74.42 C ATOM 1129 CG GLN A 69 2.923 12.004 -4.388 1.00 73.32 C ATOM 1130 CD GLN A 69 3.949 13.021 -4.757 1.00 62.03 C ATOM 1131 OE1 GLN A 69 5.022 13.093 -4.162 1.00 64.31 O ATOM 1132 NE2 GLN A 69 3.638 13.821 -5.697 1.00 4.34 N ATOM 0 H GLN A 69 0.836 11.185 -6.133 1.00 53.21 H new ATOM 0 HA GLN A 69 3.604 11.417 -7.068 1.00 2.13 H new ATOM 0 HB2 GLN A 69 2.394 9.954 -4.710 1.00 74.42 H new ATOM 0 HB3 GLN A 69 4.088 10.309 -4.983 1.00 74.42 H new ATOM 0 HG2 GLN A 69 1.931 12.411 -4.586 1.00 73.32 H new ATOM 0 HG3 GLN A 69 2.981 11.813 -3.316 1.00 73.32 H new ATOM 0 HE21 GLN A 69 2.738 13.730 -6.167 1.00 4.34 H new ATOM 0 HE22 GLN A 69 4.289 14.553 -5.980 1.00 4.34 H new ATOM 1141 N GLU A 70 2.873 9.477 -8.626 1.00 32.23 N ATOM 1142 CA GLU A 70 2.803 8.276 -9.450 1.00 41.02 C ATOM 1143 C GLU A 70 3.856 7.259 -9.107 1.00 4.51 C ATOM 1144 O GLU A 70 3.643 6.063 -9.271 1.00 52.33 O ATOM 1145 CB GLU A 70 2.892 8.616 -10.898 1.00 62.01 C ATOM 1146 CG GLU A 70 1.782 9.506 -11.357 1.00 30.34 C ATOM 1147 CD GLU A 70 0.414 9.063 -10.945 1.00 23.11 C ATOM 1148 OE1 GLU A 70 -0.050 8.014 -11.437 1.00 3.13 O ATOM 1149 OE2 GLU A 70 -0.252 9.799 -10.206 1.00 60.15 O ATOM 0 H GLU A 70 2.971 10.338 -9.164 1.00 32.23 H new ATOM 0 HA GLU A 70 1.834 7.826 -9.236 1.00 41.02 H new ATOM 0 HB2 GLU A 70 3.847 9.105 -11.093 1.00 62.01 H new ATOM 0 HB3 GLU A 70 2.879 7.697 -11.483 1.00 62.01 H new ATOM 0 HG2 GLU A 70 1.956 10.510 -10.970 1.00 30.34 H new ATOM 0 HG3 GLU A 70 1.815 9.574 -12.444 1.00 30.34 H new ATOM 1156 N ASP A 71 4.983 7.742 -8.617 1.00 31.31 N ATOM 1157 CA ASP A 71 6.091 6.899 -8.168 1.00 32.52 C ATOM 1158 C ASP A 71 5.630 5.864 -7.184 1.00 21.44 C ATOM 1159 O ASP A 71 5.895 4.670 -7.335 1.00 64.31 O ATOM 1160 CB ASP A 71 7.164 7.739 -7.505 1.00 61.50 C ATOM 1161 CG ASP A 71 8.069 8.459 -8.460 1.00 34.51 C ATOM 1162 OD1 ASP A 71 7.586 9.294 -9.258 1.00 23.40 O ATOM 1163 OD2 ASP A 71 9.293 8.242 -8.398 1.00 34.52 O ATOM 0 H ASP A 71 5.163 8.741 -8.516 1.00 31.31 H new ATOM 0 HA ASP A 71 6.492 6.403 -9.052 1.00 32.52 H new ATOM 0 HB2 ASP A 71 6.685 8.472 -6.856 1.00 61.50 H new ATOM 0 HB3 ASP A 71 7.769 7.095 -6.866 1.00 61.50 H new ATOM 1168 N LEU A 72 4.903 6.316 -6.204 1.00 11.02 N ATOM 1169 CA LEU A 72 4.455 5.470 -5.137 1.00 45.32 C ATOM 1170 C LEU A 72 3.324 4.558 -5.604 1.00 13.14 C ATOM 1171 O LEU A 72 3.204 3.423 -5.163 1.00 62.23 O ATOM 1172 CB LEU A 72 4.030 6.336 -3.964 1.00 15.25 C ATOM 1173 CG LEU A 72 5.113 7.291 -3.435 1.00 62.41 C ATOM 1174 CD1 LEU A 72 4.544 8.203 -2.379 1.00 45.31 C ATOM 1175 CD2 LEU A 72 6.304 6.514 -2.884 1.00 54.32 C ATOM 0 H LEU A 72 4.603 7.287 -6.122 1.00 11.02 H new ATOM 0 HA LEU A 72 5.271 4.822 -4.817 1.00 45.32 H new ATOM 0 HB2 LEU A 72 3.162 6.924 -4.262 1.00 15.25 H new ATOM 0 HB3 LEU A 72 3.710 5.686 -3.149 1.00 15.25 H new ATOM 0 HG LEU A 72 5.462 7.901 -4.268 1.00 62.41 H new ATOM 0 HD11 LEU A 72 5.325 8.872 -2.016 1.00 45.31 H new ATOM 0 HD12 LEU A 72 3.732 8.791 -2.806 1.00 45.31 H new ATOM 0 HD13 LEU A 72 4.163 7.607 -1.550 1.00 45.31 H new ATOM 0 HD21 LEU A 72 7.056 7.213 -2.516 1.00 54.32 H new ATOM 0 HD22 LEU A 72 5.974 5.873 -2.067 1.00 54.32 H new ATOM 0 HD23 LEU A 72 6.735 5.900 -3.675 1.00 54.32 H new ATOM 1187 N LEU A 73 2.558 5.044 -6.552 1.00 23.32 N ATOM 1188 CA LEU A 73 1.399 4.324 -7.079 1.00 4.54 C ATOM 1189 C LEU A 73 1.868 3.201 -7.995 1.00 33.35 C ATOM 1190 O LEU A 73 1.391 2.074 -7.913 1.00 23.34 O ATOM 1191 CB LEU A 73 0.515 5.297 -7.868 1.00 41.11 C ATOM 1192 CG LEU A 73 0.133 6.601 -7.150 1.00 12.11 C ATOM 1193 CD1 LEU A 73 -0.675 7.503 -8.034 1.00 65.31 C ATOM 1194 CD2 LEU A 73 -0.616 6.335 -5.875 1.00 74.51 C ATOM 0 H LEU A 73 2.713 5.953 -6.988 1.00 23.32 H new ATOM 0 HA LEU A 73 0.827 3.899 -6.254 1.00 4.54 H new ATOM 0 HB2 LEU A 73 1.030 5.554 -8.794 1.00 41.11 H new ATOM 0 HB3 LEU A 73 -0.402 4.778 -8.147 1.00 41.11 H new ATOM 0 HG LEU A 73 1.068 7.104 -6.903 1.00 12.11 H new ATOM 0 HD11 LEU A 73 -0.926 8.414 -7.492 1.00 65.31 H new ATOM 0 HD12 LEU A 73 -0.096 7.757 -8.922 1.00 65.31 H new ATOM 0 HD13 LEU A 73 -1.592 6.994 -8.332 1.00 65.31 H new ATOM 0 HD21 LEU A 73 -0.868 7.282 -5.397 1.00 74.51 H new ATOM 0 HD22 LEU A 73 -1.531 5.786 -6.098 1.00 74.51 H new ATOM 0 HD23 LEU A 73 0.007 5.744 -5.204 1.00 74.51 H new ATOM 1206 N SER A 74 2.829 3.510 -8.841 1.00 14.21 N ATOM 1207 CA SER A 74 3.368 2.551 -9.774 1.00 51.42 C ATOM 1208 C SER A 74 4.149 1.465 -9.048 1.00 14.35 C ATOM 1209 O SER A 74 3.941 0.270 -9.298 1.00 62.12 O ATOM 1210 CB SER A 74 4.242 3.255 -10.810 1.00 75.10 C ATOM 1211 OG SER A 74 3.479 4.195 -11.559 1.00 61.10 O ATOM 0 H SER A 74 3.256 4.434 -8.899 1.00 14.21 H new ATOM 0 HA SER A 74 2.539 2.071 -10.293 1.00 51.42 H new ATOM 0 HB2 SER A 74 5.067 3.764 -10.311 1.00 75.10 H new ATOM 0 HB3 SER A 74 4.682 2.518 -11.482 1.00 75.10 H new ATOM 0 HG SER A 74 3.344 5.006 -11.025 1.00 61.10 H new ATOM 1217 N GLU A 75 5.000 1.858 -8.104 1.00 25.14 N ATOM 1218 CA GLU A 75 5.787 0.880 -7.371 1.00 31.14 C ATOM 1219 C GLU A 75 4.928 0.078 -6.404 1.00 5.14 C ATOM 1220 O GLU A 75 5.341 -0.956 -5.937 1.00 52.41 O ATOM 1221 CB GLU A 75 6.974 1.508 -6.646 1.00 71.14 C ATOM 1222 CG GLU A 75 7.999 2.156 -7.564 1.00 2.13 C ATOM 1223 CD GLU A 75 8.519 1.224 -8.640 1.00 62.51 C ATOM 1224 OE1 GLU A 75 9.008 0.107 -8.309 1.00 34.04 O ATOM 1225 OE2 GLU A 75 8.502 1.621 -9.839 1.00 73.43 O ATOM 0 H GLU A 75 5.158 2.829 -7.834 1.00 25.14 H new ATOM 0 HA GLU A 75 6.190 0.195 -8.116 1.00 31.14 H new ATOM 0 HB2 GLU A 75 6.602 2.259 -5.949 1.00 71.14 H new ATOM 0 HB3 GLU A 75 7.470 0.740 -6.053 1.00 71.14 H new ATOM 0 HG2 GLU A 75 7.551 3.030 -8.037 1.00 2.13 H new ATOM 0 HG3 GLU A 75 8.838 2.512 -6.966 1.00 2.13 H new ATOM 1232 N PHE A 76 3.720 0.552 -6.139 1.00 2.13 N ATOM 1233 CA PHE A 76 2.778 -0.151 -5.278 1.00 51.42 C ATOM 1234 C PHE A 76 2.409 -1.502 -5.909 1.00 42.21 C ATOM 1235 O PHE A 76 2.324 -2.511 -5.219 1.00 24.54 O ATOM 1236 CB PHE A 76 1.544 0.732 -5.038 1.00 33.54 C ATOM 1237 CG PHE A 76 0.526 0.164 -4.109 1.00 45.24 C ATOM 1238 CD1 PHE A 76 0.833 -0.064 -2.779 1.00 61.25 C ATOM 1239 CD2 PHE A 76 -0.735 -0.148 -4.566 1.00 61.44 C ATOM 1240 CE1 PHE A 76 -0.104 -0.595 -1.919 1.00 70.12 C ATOM 1241 CE2 PHE A 76 -1.682 -0.684 -3.716 1.00 71.31 C ATOM 1242 CZ PHE A 76 -1.364 -0.906 -2.385 1.00 72.12 C ATOM 0 H PHE A 76 3.365 1.432 -6.513 1.00 2.13 H new ATOM 0 HA PHE A 76 3.233 -0.355 -4.309 1.00 51.42 H new ATOM 0 HB2 PHE A 76 1.876 1.693 -4.644 1.00 33.54 H new ATOM 0 HB3 PHE A 76 1.066 0.929 -5.998 1.00 33.54 H new ATOM 0 HD1 PHE A 76 1.819 0.177 -2.410 1.00 61.25 H new ATOM 0 HD2 PHE A 76 -0.986 0.029 -5.601 1.00 61.44 H new ATOM 0 HE1 PHE A 76 0.148 -0.767 -0.883 1.00 70.12 H new ATOM 0 HE2 PHE A 76 -2.666 -0.929 -4.087 1.00 71.31 H new ATOM 0 HZ PHE A 76 -2.102 -1.322 -1.714 1.00 72.12 H new