USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 440 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 17 TYR OH : rot 80:sc= 0.272 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -80:sc= -1.7! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= -0.106 (180deg=-0.85) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= -0.0115 (180deg=-0.136) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N PRO A 10 -8.887 6.903 0.781 1.00 0.00 N ATOM 157 CA PRO A 10 -8.842 5.557 1.363 1.00 0.00 C ATOM 158 C PRO A 10 -7.817 5.450 2.488 1.00 0.00 C ATOM 159 O PRO A 10 -8.076 4.836 3.523 1.00 0.00 O ATOM 160 CB PRO A 10 -8.430 4.662 0.187 1.00 0.00 C ATOM 161 CG PRO A 10 -8.709 5.468 -1.037 1.00 0.00 C ATOM 162 CD PRO A 10 -8.511 6.900 -0.642 1.00 0.00 C ATOM 0 HA PRO A 10 -9.797 5.280 1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.376 4.392 0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.998 3.731 0.183 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.036 5.190 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.725 5.298 -1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.479 7.221 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.139 7.571 -1.227 1.00 0.00 H new ATOM 170 N VAL A 11 -6.660 6.062 2.278 1.00 0.00 N ATOM 171 CA VAL A 11 -5.580 6.023 3.252 1.00 0.00 C ATOM 172 C VAL A 11 -5.067 7.428 3.535 1.00 0.00 C ATOM 173 O VAL A 11 -5.316 8.351 2.758 1.00 0.00 O ATOM 174 CB VAL A 11 -4.408 5.142 2.767 1.00 0.00 C ATOM 175 CG1 VAL A 11 -4.844 3.690 2.633 1.00 0.00 C ATOM 176 CG2 VAL A 11 -3.846 5.656 1.446 1.00 0.00 C ATOM 0 H VAL A 11 -6.445 6.595 1.435 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.985 5.588 4.166 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.617 5.196 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.003 3.088 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.184 3.321 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.658 3.620 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.022 5.017 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.629 5.643 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.485 6.676 1.577 1.00 0.00 H new ATOM 186 N GLU A 12 -4.359 7.586 4.643 1.00 0.00 N ATOM 187 CA GLU A 12 -3.789 8.874 5.001 1.00 0.00 C ATOM 188 C GLU A 12 -2.319 8.721 5.369 1.00 0.00 C ATOM 189 O GLU A 12 -1.873 7.634 5.739 1.00 0.00 O ATOM 190 CB GLU A 12 -4.578 9.512 6.144 1.00 0.00 C ATOM 191 CG GLU A 12 -4.749 8.613 7.354 1.00 0.00 C ATOM 192 CD GLU A 12 -5.534 9.278 8.462 1.00 0.00 C ATOM 193 OE1 GLU A 12 -4.936 10.055 9.235 1.00 0.00 O ATOM 194 OE2 GLU A 12 -6.755 9.031 8.564 1.00 0.00 O ATOM 0 H GLU A 12 -4.166 6.838 5.309 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.855 9.536 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.074 10.428 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.563 9.799 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.256 7.696 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.767 8.325 7.731 1.00 0.00 H new ATOM 201 N GLU A 13 -1.572 9.812 5.242 1.00 0.00 N ATOM 202 CA GLU A 13 -0.129 9.795 5.453 1.00 0.00 C ATOM 203 C GLU A 13 0.242 9.506 6.905 1.00 0.00 C ATOM 204 O GLU A 13 -0.324 10.084 7.837 1.00 0.00 O ATOM 205 CB GLU A 13 0.491 11.120 5.013 1.00 0.00 C ATOM 206 CG GLU A 13 0.157 11.485 3.580 1.00 0.00 C ATOM 207 CD GLU A 13 0.914 12.696 3.091 1.00 0.00 C ATOM 208 OE1 GLU A 13 1.013 13.686 3.842 1.00 0.00 O ATOM 209 OE2 GLU A 13 1.433 12.658 1.954 1.00 0.00 O ATOM 0 H GLU A 13 -1.946 10.727 4.992 1.00 0.00 H new ATOM 0 HA GLU A 13 0.271 8.985 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.144 11.914 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.574 11.063 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.381 10.637 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.913 11.674 3.499 1.00 0.00 H new ATOM 216 N GLY A 14 1.194 8.605 7.075 1.00 0.00 N ATOM 217 CA GLY A 14 1.719 8.285 8.382 1.00 0.00 C ATOM 218 C GLY A 14 0.855 7.306 9.131 1.00 0.00 C ATOM 219 O GLY A 14 0.808 7.334 10.359 1.00 0.00 O ATOM 0 H GLY A 14 1.620 8.079 6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.722 7.871 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.813 9.201 8.966 1.00 0.00 H new ATOM 223 N GLU A 15 0.188 6.424 8.406 1.00 0.00 N ATOM 224 CA GLU A 15 -0.667 5.428 9.049 1.00 0.00 C ATOM 225 C GLU A 15 -0.316 4.033 8.582 1.00 0.00 C ATOM 226 O GLU A 15 0.205 3.847 7.489 1.00 0.00 O ATOM 227 CB GLU A 15 -2.144 5.693 8.784 1.00 0.00 C ATOM 228 CG GLU A 15 -2.685 6.936 9.469 1.00 0.00 C ATOM 229 CD GLU A 15 -2.754 6.779 10.972 1.00 0.00 C ATOM 230 OE1 GLU A 15 -3.508 5.904 11.445 1.00 0.00 O ATOM 231 OE2 GLU A 15 -2.045 7.509 11.693 1.00 0.00 O ATOM 0 H GLU A 15 0.217 6.373 7.388 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.490 5.506 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.298 5.788 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.722 4.829 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.051 7.788 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.680 7.157 9.083 1.00 0.00 H new ATOM 238 N VAL A 16 -0.637 3.056 9.405 1.00 0.00 N ATOM 239 CA VAL A 16 -0.260 1.678 9.135 1.00 0.00 C ATOM 240 C VAL A 16 -1.492 0.790 8.991 1.00 0.00 C ATOM 241 O VAL A 16 -2.384 0.788 9.840 1.00 0.00 O ATOM 242 CB VAL A 16 0.684 1.121 10.232 1.00 0.00 C ATOM 243 CG1 VAL A 16 0.064 1.240 11.617 1.00 0.00 C ATOM 244 CG2 VAL A 16 1.066 -0.322 9.937 1.00 0.00 C ATOM 0 H VAL A 16 -1.160 3.188 10.271 1.00 0.00 H new ATOM 0 HA VAL A 16 0.282 1.670 8.190 1.00 0.00 H new ATOM 0 HB VAL A 16 1.590 1.726 10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.754 0.840 12.360 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.138 2.288 11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.869 0.677 11.648 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.728 -0.690 10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.167 -0.937 9.903 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.577 -0.374 8.976 1.00 0.00 H new ATOM 254 N TYR A 17 -1.538 0.048 7.897 1.00 0.00 N ATOM 255 CA TYR A 17 -2.662 -0.824 7.607 1.00 0.00 C ATOM 256 C TYR A 17 -2.164 -2.240 7.354 1.00 0.00 C ATOM 257 O TYR A 17 -1.203 -2.443 6.608 1.00 0.00 O ATOM 258 CB TYR A 17 -3.427 -0.317 6.379 1.00 0.00 C ATOM 259 CG TYR A 17 -3.777 1.156 6.424 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.952 1.598 7.020 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.931 2.104 5.856 1.00 0.00 C ATOM 262 CE1 TYR A 17 -5.273 2.942 7.051 1.00 0.00 C ATOM 263 CE2 TYR A 17 -3.246 3.448 5.883 1.00 0.00 C ATOM 264 CZ TYR A 17 -4.419 3.862 6.480 1.00 0.00 C ATOM 265 OH TYR A 17 -4.738 5.202 6.506 1.00 0.00 O ATOM 0 H TYR A 17 -0.803 0.033 7.190 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.335 -0.825 8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.828 -0.509 5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.346 -0.893 6.275 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.625 0.880 7.466 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.013 1.783 5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.189 3.270 7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.578 4.171 5.439 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.515 5.574 7.385 1.00 0.00 H new ATOM 275 N ASP A 18 -2.800 -3.214 7.984 1.00 0.00 N ATOM 276 CA ASP A 18 -2.473 -4.612 7.742 1.00 0.00 C ATOM 277 C ASP A 18 -3.180 -5.074 6.478 1.00 0.00 C ATOM 278 O ASP A 18 -4.363 -5.420 6.504 1.00 0.00 O ATOM 279 CB ASP A 18 -2.879 -5.479 8.937 1.00 0.00 C ATOM 280 CG ASP A 18 -2.501 -6.937 8.764 1.00 0.00 C ATOM 281 OD1 ASP A 18 -1.315 -7.276 8.952 1.00 0.00 O ATOM 282 OD2 ASP A 18 -3.390 -7.755 8.447 1.00 0.00 O ATOM 0 H ASP A 18 -3.544 -3.064 8.665 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.396 -4.714 7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.405 -5.091 9.839 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.956 -5.403 9.085 1.00 0.00 H new ATOM 287 N VAL A 19 -2.461 -5.053 5.371 1.00 0.00 N ATOM 288 CA VAL A 19 -3.060 -5.280 4.061 1.00 0.00 C ATOM 289 C VAL A 19 -2.594 -6.590 3.451 1.00 0.00 C ATOM 290 O VAL A 19 -1.687 -7.245 3.958 1.00 0.00 O ATOM 291 CB VAL A 19 -2.717 -4.142 3.076 1.00 0.00 C ATOM 292 CG1 VAL A 19 -3.241 -2.808 3.581 1.00 0.00 C ATOM 293 CG2 VAL A 19 -1.213 -4.081 2.846 1.00 0.00 C ATOM 0 H VAL A 19 -1.456 -4.880 5.349 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.137 -5.314 4.223 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.206 -4.352 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.986 -2.024 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.324 -2.860 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.789 -2.582 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.984 -3.274 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.707 -3.897 3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.870 -5.028 2.430 1.00 0.00 H new ATOM 303 N THR A 20 -3.233 -6.967 2.362 1.00 0.00 N ATOM 304 CA THR A 20 -2.793 -8.091 1.563 1.00 0.00 C ATOM 305 C THR A 20 -2.490 -7.609 0.146 1.00 0.00 C ATOM 306 O THR A 20 -3.310 -6.927 -0.473 1.00 0.00 O ATOM 307 CB THR A 20 -3.862 -9.201 1.530 1.00 0.00 C ATOM 308 OG1 THR A 20 -4.262 -9.523 2.872 1.00 0.00 O ATOM 309 CG2 THR A 20 -3.327 -10.453 0.845 1.00 0.00 C ATOM 0 H THR A 20 -4.070 -6.504 2.007 1.00 0.00 H new ATOM 0 HA THR A 20 -1.892 -8.510 2.011 1.00 0.00 H new ATOM 0 HB THR A 20 -4.719 -8.837 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.943 -10.228 2.850 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.101 -11.221 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.040 -10.213 -0.179 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.457 -10.822 1.389 1.00 0.00 H new ATOM 317 N ILE A 21 -1.309 -7.943 -0.356 1.00 0.00 N ATOM 318 CA ILE A 21 -0.876 -7.466 -1.661 1.00 0.00 C ATOM 319 C ILE A 21 -1.711 -8.097 -2.770 1.00 0.00 C ATOM 320 O ILE A 21 -1.694 -9.315 -2.968 1.00 0.00 O ATOM 321 CB ILE A 21 0.619 -7.756 -1.896 1.00 0.00 C ATOM 322 CG1 ILE A 21 1.462 -7.081 -0.810 1.00 0.00 C ATOM 323 CG2 ILE A 21 1.052 -7.286 -3.276 1.00 0.00 C ATOM 324 CD1 ILE A 21 1.294 -5.576 -0.749 1.00 0.00 C ATOM 0 H ILE A 21 -0.635 -8.542 0.121 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.021 -6.386 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 21 0.774 -8.834 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.197 -7.506 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.513 -7.313 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.111 -7.502 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.470 -7.807 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.885 -6.212 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.923 -5.172 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.587 -5.138 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.251 -5.334 -0.544 1.00 0.00 H new ATOM 336 N GLN A 22 -2.439 -7.248 -3.482 1.00 0.00 N ATOM 337 CA GLN A 22 -3.391 -7.687 -4.493 1.00 0.00 C ATOM 338 C GLN A 22 -2.710 -7.940 -5.833 1.00 0.00 C ATOM 339 O GLN A 22 -3.027 -8.905 -6.524 1.00 0.00 O ATOM 340 CB GLN A 22 -4.488 -6.631 -4.659 1.00 0.00 C ATOM 341 CG GLN A 22 -5.369 -6.464 -3.430 1.00 0.00 C ATOM 342 CD GLN A 22 -6.573 -7.386 -3.440 1.00 0.00 C ATOM 343 OE1 GLN A 22 -7.642 -7.016 -3.929 1.00 0.00 O ATOM 344 NE2 GLN A 22 -6.409 -8.593 -2.927 1.00 0.00 N ATOM 0 H GLN A 22 -2.386 -6.235 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.829 -8.627 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.025 -5.673 -4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.114 -6.901 -5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.777 -6.657 -2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.709 -5.430 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.508 -8.861 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.184 -9.257 -2.927 1.00 0.00 H new ATOM 353 N ASP A 23 -1.776 -7.075 -6.201 1.00 0.00 N ATOM 354 CA ASP A 23 -1.104 -7.194 -7.492 1.00 0.00 C ATOM 355 C ASP A 23 0.361 -6.799 -7.354 1.00 0.00 C ATOM 356 O ASP A 23 0.802 -6.416 -6.273 1.00 0.00 O ATOM 357 CB ASP A 23 -1.801 -6.310 -8.535 1.00 0.00 C ATOM 358 CG ASP A 23 -1.623 -6.818 -9.956 1.00 0.00 C ATOM 359 OD1 ASP A 23 -0.536 -6.629 -10.536 1.00 0.00 O ATOM 360 OD2 ASP A 23 -2.578 -7.410 -10.497 1.00 0.00 O ATOM 0 H ASP A 23 -1.466 -6.288 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.157 -8.230 -7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.865 -6.256 -8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.408 -5.296 -8.465 1.00 0.00 H new ATOM 365 N ILE A 24 1.102 -6.867 -8.448 1.00 0.00 N ATOM 366 CA ILE A 24 2.527 -6.581 -8.440 1.00 0.00 C ATOM 367 C ILE A 24 2.883 -5.737 -9.650 1.00 0.00 C ATOM 368 O ILE A 24 2.687 -6.156 -10.792 1.00 0.00 O ATOM 369 CB ILE A 24 3.387 -7.871 -8.455 1.00 0.00 C ATOM 370 CG1 ILE A 24 3.221 -8.652 -7.151 1.00 0.00 C ATOM 371 CG2 ILE A 24 4.858 -7.538 -8.685 1.00 0.00 C ATOM 372 CD1 ILE A 24 3.722 -7.916 -5.929 1.00 0.00 C ATOM 0 H ILE A 24 0.734 -7.121 -9.364 1.00 0.00 H new ATOM 0 HA ILE A 24 2.744 -6.044 -7.517 1.00 0.00 H new ATOM 0 HB ILE A 24 3.039 -8.495 -9.278 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.166 -8.890 -7.013 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.753 -9.600 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.443 -8.458 -8.692 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.971 -7.030 -9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.213 -6.888 -7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.570 -8.534 -5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.785 -7.702 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.173 -6.981 -5.817 1.00 0.00 H new ATOM 384 N ALA A 25 3.396 -4.551 -9.397 1.00 0.00 N ATOM 385 CA ALA A 25 3.811 -3.672 -10.468 1.00 0.00 C ATOM 386 C ALA A 25 5.075 -4.209 -11.119 1.00 0.00 C ATOM 387 O ALA A 25 5.876 -4.876 -10.462 1.00 0.00 O ATOM 388 CB ALA A 25 4.025 -2.269 -9.941 1.00 0.00 C ATOM 0 H ALA A 25 3.535 -4.174 -8.459 1.00 0.00 H new ATOM 0 HA ALA A 25 3.026 -3.633 -11.223 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.337 -1.617 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.095 -1.895 -9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.798 -2.283 -9.172 1.00 0.00 H new ATOM 442 N ASP A 29 7.036 -3.421 -7.288 1.00 0.00 N ATOM 443 CA ASP A 29 6.260 -2.730 -6.269 1.00 0.00 C ATOM 444 C ASP A 29 4.955 -3.467 -6.019 1.00 0.00 C ATOM 445 O ASP A 29 4.174 -3.690 -6.944 1.00 0.00 O ATOM 446 CB ASP A 29 5.962 -1.290 -6.699 1.00 0.00 C ATOM 447 CG ASP A 29 7.212 -0.452 -6.881 1.00 0.00 C ATOM 448 OD1 ASP A 29 7.821 -0.518 -7.969 1.00 0.00 O ATOM 449 OD2 ASP A 29 7.587 0.282 -5.946 1.00 0.00 O ATOM 0 HA ASP A 29 6.846 -2.708 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.403 -1.305 -7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.322 -0.819 -5.953 1.00 0.00 H new ATOM 454 N GLY A 30 4.729 -3.858 -4.779 1.00 0.00 N ATOM 455 CA GLY A 30 3.501 -4.540 -4.434 1.00 0.00 C ATOM 456 C GLY A 30 2.323 -3.597 -4.443 1.00 0.00 C ATOM 457 O GLY A 30 2.361 -2.542 -3.812 1.00 0.00 O ATOM 0 H GLY A 30 5.374 -3.716 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.324 -5.352 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.599 -4.992 -3.447 1.00 0.00 H new ATOM 461 N ILE A 31 1.279 -3.968 -5.163 1.00 0.00 N ATOM 462 CA ILE A 31 0.121 -3.109 -5.319 1.00 0.00 C ATOM 463 C ILE A 31 -0.965 -3.454 -4.312 1.00 0.00 C ATOM 464 O ILE A 31 -1.638 -4.486 -4.420 1.00 0.00 O ATOM 465 CB ILE A 31 -0.460 -3.193 -6.749 1.00 0.00 C ATOM 466 CG1 ILE A 31 0.580 -2.716 -7.769 1.00 0.00 C ATOM 467 CG2 ILE A 31 -1.742 -2.377 -6.859 1.00 0.00 C ATOM 468 CD1 ILE A 31 0.113 -2.805 -9.205 1.00 0.00 C ATOM 0 H ILE A 31 1.211 -4.862 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 31 0.461 -2.089 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.706 -4.233 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.846 -1.683 -7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.487 -3.310 -7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.134 -2.450 -7.873 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.480 -2.763 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.530 -1.333 -6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.903 -2.450 -9.867 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.125 -3.841 -9.447 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.776 -2.188 -9.337 1.00 0.00 H new ATOM 480 N ALA A 32 -1.116 -2.596 -3.321 1.00 0.00 N ATOM 481 CA ALA A 32 -2.236 -2.682 -2.407 1.00 0.00 C ATOM 482 C ALA A 32 -3.319 -1.722 -2.874 1.00 0.00 C ATOM 483 O ALA A 32 -3.273 -0.529 -2.586 1.00 0.00 O ATOM 484 CB ALA A 32 -1.804 -2.368 -0.980 1.00 0.00 C ATOM 0 H ALA A 32 -0.473 -1.828 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.627 -3.699 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.665 -2.440 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.042 -3.081 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.396 -1.358 -0.937 1.00 0.00 H new ATOM 490 N ARG A 33 -4.263 -2.240 -3.641 1.00 0.00 N ATOM 491 CA ARG A 33 -5.284 -1.404 -4.247 1.00 0.00 C ATOM 492 C ARG A 33 -6.533 -1.351 -3.376 1.00 0.00 C ATOM 493 O ARG A 33 -7.367 -2.257 -3.389 1.00 0.00 O ATOM 494 CB ARG A 33 -5.600 -1.897 -5.664 1.00 0.00 C ATOM 495 CG ARG A 33 -6.019 -3.359 -5.740 1.00 0.00 C ATOM 496 CD ARG A 33 -5.855 -3.914 -7.145 1.00 0.00 C ATOM 497 NE ARG A 33 -6.545 -3.103 -8.142 1.00 0.00 N ATOM 498 CZ ARG A 33 -5.997 -2.716 -9.292 1.00 0.00 C ATOM 499 NH1 ARG A 33 -4.736 -3.039 -9.571 1.00 0.00 N ATOM 500 NH2 ARG A 33 -6.707 -2.017 -10.165 1.00 0.00 N ATOM 0 H ARG A 33 -4.343 -3.233 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.903 -0.386 -4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.396 -1.281 -6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.721 -1.750 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.421 -3.947 -5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.059 -3.457 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.795 -3.966 -7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.240 -4.933 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.504 -2.815 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.189 -3.583 -8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.317 -2.742 -10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.676 -1.774 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.285 -1.722 -11.045 1.00 0.00 H new ATOM 514 N ILE A 34 -6.643 -0.287 -2.603 1.00 0.00 N ATOM 515 CA ILE A 34 -7.772 -0.110 -1.711 1.00 0.00 C ATOM 516 C ILE A 34 -8.863 0.698 -2.389 1.00 0.00 C ATOM 517 O ILE A 34 -8.695 1.885 -2.675 1.00 0.00 O ATOM 518 CB ILE A 34 -7.355 0.561 -0.390 1.00 0.00 C ATOM 519 CG1 ILE A 34 -6.410 -0.362 0.378 1.00 0.00 C ATOM 520 CG2 ILE A 34 -8.577 0.906 0.454 1.00 0.00 C ATOM 521 CD1 ILE A 34 -6.014 0.171 1.732 1.00 0.00 C ATOM 0 H ILE A 34 -5.961 0.471 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.159 -1.101 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.836 1.492 -0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.888 -1.333 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.511 -0.524 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.256 1.379 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.220 1.591 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.130 -0.005 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.343 -0.536 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.507 1.129 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.905 0.306 2.345 1.00 0.00 H new ATOM 533 N GLU A 35 -9.969 0.018 -2.669 1.00 0.00 N ATOM 534 CA GLU A 35 -11.125 0.617 -3.344 1.00 0.00 C ATOM 535 C GLU A 35 -10.746 1.226 -4.693 1.00 0.00 C ATOM 536 O GLU A 35 -11.411 2.141 -5.182 1.00 0.00 O ATOM 537 CB GLU A 35 -11.771 1.674 -2.447 1.00 0.00 C ATOM 538 CG GLU A 35 -12.425 1.089 -1.208 1.00 0.00 C ATOM 539 CD GLU A 35 -13.078 2.141 -0.338 1.00 0.00 C ATOM 540 OE1 GLU A 35 -14.030 2.802 -0.810 1.00 0.00 O ATOM 541 OE2 GLU A 35 -12.658 2.295 0.826 1.00 0.00 O ATOM 0 H GLU A 35 -10.094 -0.967 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.843 -0.180 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.013 2.396 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.519 2.220 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.174 0.357 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.675 0.556 -0.624 1.00 0.00 H new ATOM 548 N GLY A 36 -9.688 0.699 -5.296 1.00 0.00 N ATOM 549 CA GLY A 36 -9.245 1.187 -6.586 1.00 0.00 C ATOM 550 C GLY A 36 -8.003 2.052 -6.483 1.00 0.00 C ATOM 551 O GLY A 36 -7.281 2.232 -7.465 1.00 0.00 O ATOM 0 H GLY A 36 -9.127 -0.061 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.041 0.340 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.047 1.762 -7.049 1.00 0.00 H new ATOM 555 N PHE A 37 -7.753 2.580 -5.294 1.00 0.00 N ATOM 556 CA PHE A 37 -6.603 3.444 -5.062 1.00 0.00 C ATOM 557 C PHE A 37 -5.328 2.610 -4.989 1.00 0.00 C ATOM 558 O PHE A 37 -5.226 1.690 -4.180 1.00 0.00 O ATOM 559 CB PHE A 37 -6.805 4.242 -3.773 1.00 0.00 C ATOM 560 CG PHE A 37 -5.812 5.347 -3.566 1.00 0.00 C ATOM 561 CD1 PHE A 37 -5.864 6.496 -4.338 1.00 0.00 C ATOM 562 CD2 PHE A 37 -4.843 5.251 -2.581 1.00 0.00 C ATOM 563 CE1 PHE A 37 -4.964 7.526 -4.135 1.00 0.00 C ATOM 564 CE2 PHE A 37 -3.941 6.274 -2.376 1.00 0.00 C ATOM 565 CZ PHE A 37 -4.001 7.414 -3.151 1.00 0.00 C ATOM 0 H PHE A 37 -8.334 2.425 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.506 4.145 -5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.808 4.668 -3.777 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.752 3.559 -2.925 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.616 6.588 -5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.793 4.365 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.014 8.416 -4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.187 6.183 -1.608 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.297 8.217 -2.989 1.00 0.00 H new ATOM 575 N VAL A 38 -4.364 2.934 -5.841 1.00 0.00 N ATOM 576 CA VAL A 38 -3.150 2.135 -5.964 1.00 0.00 C ATOM 577 C VAL A 38 -2.056 2.611 -5.011 1.00 0.00 C ATOM 578 O VAL A 38 -1.569 3.742 -5.111 1.00 0.00 O ATOM 579 CB VAL A 38 -2.614 2.162 -7.413 1.00 0.00 C ATOM 580 CG1 VAL A 38 -1.342 1.331 -7.543 1.00 0.00 C ATOM 581 CG2 VAL A 38 -3.671 1.662 -8.384 1.00 0.00 C ATOM 0 H VAL A 38 -4.399 3.745 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.419 1.113 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.373 3.196 -7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.987 1.368 -8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.576 1.733 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.553 0.297 -7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.274 1.689 -9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.945 0.638 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.553 2.300 -8.322 1.00 0.00 H new ATOM 591 N ILE A 39 -1.687 1.742 -4.084 1.00 0.00 N ATOM 592 CA ILE A 39 -0.584 2.008 -3.176 1.00 0.00 C ATOM 593 C ILE A 39 0.599 1.109 -3.528 1.00 0.00 C ATOM 594 O ILE A 39 0.455 -0.112 -3.610 1.00 0.00 O ATOM 595 CB ILE A 39 -1.001 1.758 -1.710 1.00 0.00 C ATOM 596 CG1 ILE A 39 -2.271 2.543 -1.379 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.126 2.141 -0.760 1.00 0.00 C ATOM 598 CD1 ILE A 39 -2.875 2.180 -0.043 1.00 0.00 C ATOM 0 H ILE A 39 -2.140 0.839 -3.940 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.299 3.055 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.207 0.695 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.042 3.609 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.010 2.370 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.187 1.958 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.009 1.542 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.363 3.198 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.772 2.776 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.136 1.122 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.153 2.380 0.749 1.00 0.00 H new ATOM 610 N PHE A 40 1.757 1.716 -3.751 1.00 0.00 N ATOM 611 CA PHE A 40 2.952 0.974 -4.131 1.00 0.00 C ATOM 612 C PHE A 40 3.803 0.630 -2.913 1.00 0.00 C ATOM 613 O PHE A 40 4.234 1.516 -2.168 1.00 0.00 O ATOM 614 CB PHE A 40 3.789 1.773 -5.132 1.00 0.00 C ATOM 615 CG PHE A 40 3.123 1.978 -6.463 1.00 0.00 C ATOM 616 CD1 PHE A 40 3.142 0.978 -7.421 1.00 0.00 C ATOM 617 CD2 PHE A 40 2.491 3.175 -6.761 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.540 1.167 -8.651 1.00 0.00 C ATOM 619 CE2 PHE A 40 1.887 3.369 -7.987 1.00 0.00 C ATOM 620 CZ PHE A 40 1.912 2.364 -8.934 1.00 0.00 C ATOM 0 H PHE A 40 1.894 2.724 -3.675 1.00 0.00 H new ATOM 0 HA PHE A 40 2.624 0.045 -4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.021 2.747 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.738 1.259 -5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.632 0.040 -7.205 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.471 3.965 -6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.561 0.379 -9.390 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.395 4.306 -8.205 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.441 2.514 -9.894 1.00 0.00 H new ATOM 630 N VAL A 41 4.024 -0.663 -2.708 1.00 0.00 N ATOM 631 CA VAL A 41 4.890 -1.143 -1.639 1.00 0.00 C ATOM 632 C VAL A 41 5.910 -2.140 -2.195 1.00 0.00 C ATOM 633 O VAL A 41 5.652 -3.345 -2.244 1.00 0.00 O ATOM 634 CB VAL A 41 4.087 -1.822 -0.512 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.964 -2.039 0.705 1.00 0.00 C ATOM 636 CG2 VAL A 41 2.858 -1.007 -0.146 1.00 0.00 C ATOM 0 H VAL A 41 3.611 -1.404 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 41 5.401 -0.275 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 41 3.749 -2.792 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.382 -2.519 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.807 -2.676 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.334 -1.078 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.312 -1.511 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.165 -0.018 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.214 -0.907 -1.020 1.00 0.00 H new ATOM 646 N PRO A 42 7.075 -1.645 -2.639 1.00 0.00 N ATOM 647 CA PRO A 42 8.101 -2.474 -3.288 1.00 0.00 C ATOM 648 C PRO A 42 8.688 -3.540 -2.364 1.00 0.00 C ATOM 649 O PRO A 42 8.970 -3.281 -1.191 1.00 0.00 O ATOM 650 CB PRO A 42 9.184 -1.464 -3.684 1.00 0.00 C ATOM 651 CG PRO A 42 8.967 -0.293 -2.787 1.00 0.00 C ATOM 652 CD PRO A 42 7.487 -0.234 -2.543 1.00 0.00 C ATOM 0 HA PRO A 42 7.683 -3.032 -4.126 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.182 -1.883 -3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.094 -1.180 -4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.513 -0.411 -1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.324 0.627 -3.251 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.256 0.187 -1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.981 0.385 -3.284 1.00 0.00 H new ATOM 660 N GLY A 43 8.866 -4.745 -2.896 1.00 0.00 N ATOM 661 CA GLY A 43 9.502 -5.806 -2.134 1.00 0.00 C ATOM 662 C GLY A 43 8.544 -6.913 -1.746 1.00 0.00 C ATOM 663 O GLY A 43 8.967 -7.965 -1.262 1.00 0.00 O ATOM 0 H GLY A 43 8.582 -5.006 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.318 -6.228 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.944 -5.383 -1.232 1.00 0.00 H new ATOM 667 N THR A 44 7.259 -6.683 -1.954 1.00 0.00 N ATOM 668 CA THR A 44 6.244 -7.661 -1.597 1.00 0.00 C ATOM 669 C THR A 44 5.868 -8.525 -2.803 1.00 0.00 C ATOM 670 O THR A 44 6.427 -8.360 -3.891 1.00 0.00 O ATOM 671 CB THR A 44 4.996 -6.965 -1.033 1.00 0.00 C ATOM 672 OG1 THR A 44 4.555 -5.949 -1.942 1.00 0.00 O ATOM 673 CG2 THR A 44 5.287 -6.342 0.322 1.00 0.00 C ATOM 0 H THR A 44 6.893 -5.826 -2.369 1.00 0.00 H new ATOM 0 HA THR A 44 6.660 -8.310 -0.826 1.00 0.00 H new ATOM 0 HB THR A 44 4.213 -7.714 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.100 -5.144 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.388 -5.856 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.600 -7.119 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.083 -5.604 0.220 1.00 0.00 H new ATOM 681 N LYS A 45 4.939 -9.457 -2.607 1.00 0.00 N ATOM 682 CA LYS A 45 4.515 -10.349 -3.680 1.00 0.00 C ATOM 683 C LYS A 45 3.010 -10.618 -3.580 1.00 0.00 C ATOM 684 O LYS A 45 2.397 -10.323 -2.556 1.00 0.00 O ATOM 685 CB LYS A 45 5.316 -11.654 -3.618 1.00 0.00 C ATOM 686 CG LYS A 45 5.158 -12.540 -4.845 1.00 0.00 C ATOM 687 CD LYS A 45 6.213 -13.634 -4.872 1.00 0.00 C ATOM 688 CE LYS A 45 7.610 -13.048 -5.027 1.00 0.00 C ATOM 689 NZ LYS A 45 8.670 -14.087 -4.932 1.00 0.00 N ATOM 0 H LYS A 45 4.467 -9.613 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 45 4.708 -9.874 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.372 -11.414 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.008 -12.215 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.165 -12.989 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.236 -11.934 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.160 -14.217 -3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.010 -14.319 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.685 -12.542 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.773 -12.294 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.603 -13.642 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.617 -14.553 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.532 -14.794 -5.683 1.00 0.00 H new ATOM 703 N VAL A 46 2.422 -11.160 -4.645 1.00 0.00 N ATOM 704 CA VAL A 46 0.983 -11.432 -4.683 1.00 0.00 C ATOM 705 C VAL A 46 0.571 -12.368 -3.551 1.00 0.00 C ATOM 706 O VAL A 46 1.044 -13.501 -3.470 1.00 0.00 O ATOM 707 CB VAL A 46 0.553 -12.063 -6.028 1.00 0.00 C ATOM 708 CG1 VAL A 46 -0.957 -12.247 -6.082 1.00 0.00 C ATOM 709 CG2 VAL A 46 1.027 -11.220 -7.199 1.00 0.00 C ATOM 0 H VAL A 46 2.920 -11.421 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 46 0.483 -10.470 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 46 1.021 -13.044 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.235 -12.692 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.273 -12.902 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.446 -11.278 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.712 -11.685 -8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.595 -10.222 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.114 -11.147 -7.178 1.00 0.00 H new ATOM 719 N GLY A 47 -0.301 -11.884 -2.677 1.00 0.00 N ATOM 720 CA GLY A 47 -0.783 -12.705 -1.587 1.00 0.00 C ATOM 721 C GLY A 47 -0.062 -12.431 -0.284 1.00 0.00 C ATOM 722 O GLY A 47 -0.432 -12.971 0.757 1.00 0.00 O ATOM 0 H GLY A 47 -0.682 -10.938 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.850 -12.530 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.663 -13.756 -1.849 1.00 0.00 H new ATOM 726 N ASP A 48 0.964 -11.591 -0.334 1.00 0.00 N ATOM 727 CA ASP A 48 1.735 -11.259 0.859 1.00 0.00 C ATOM 728 C ASP A 48 0.944 -10.305 1.743 1.00 0.00 C ATOM 729 O ASP A 48 0.676 -9.166 1.362 1.00 0.00 O ATOM 730 CB ASP A 48 3.085 -10.645 0.469 1.00 0.00 C ATOM 731 CG ASP A 48 4.000 -10.403 1.657 1.00 0.00 C ATOM 732 OD1 ASP A 48 3.954 -11.191 2.627 1.00 0.00 O ATOM 733 OD2 ASP A 48 4.796 -9.443 1.609 1.00 0.00 O ATOM 0 H ASP A 48 1.282 -11.128 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 48 1.927 -12.173 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.586 -11.306 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.911 -9.700 -0.046 1.00 0.00 H new ATOM 738 N GLU A 49 0.541 -10.790 2.901 1.00 0.00 N ATOM 739 CA GLU A 49 -0.245 -9.995 3.830 1.00 0.00 C ATOM 740 C GLU A 49 0.636 -9.435 4.941 1.00 0.00 C ATOM 741 O GLU A 49 1.106 -10.171 5.813 1.00 0.00 O ATOM 742 CB GLU A 49 -1.392 -10.832 4.399 1.00 0.00 C ATOM 743 CG GLU A 49 -0.958 -12.181 4.949 1.00 0.00 C ATOM 744 CD GLU A 49 -2.129 -13.080 5.268 1.00 0.00 C ATOM 745 OE1 GLU A 49 -2.743 -12.904 6.339 1.00 0.00 O ATOM 746 OE2 GLU A 49 -2.443 -13.962 4.440 1.00 0.00 O ATOM 0 H GLU A 49 0.745 -11.736 3.224 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.674 -9.149 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.881 -10.268 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.135 -10.992 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.312 -12.675 4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.365 -12.028 5.851 1.00 0.00 H new ATOM 753 N VAL A 50 0.872 -8.132 4.887 1.00 0.00 N ATOM 754 CA VAL A 50 1.747 -7.462 5.838 1.00 0.00 C ATOM 755 C VAL A 50 1.201 -6.088 6.200 1.00 0.00 C ATOM 756 O VAL A 50 0.354 -5.536 5.494 1.00 0.00 O ATOM 757 CB VAL A 50 3.181 -7.290 5.278 1.00 0.00 C ATOM 758 CG1 VAL A 50 3.896 -8.626 5.175 1.00 0.00 C ATOM 759 CG2 VAL A 50 3.151 -6.596 3.921 1.00 0.00 C ATOM 0 H VAL A 50 0.465 -7.512 4.187 1.00 0.00 H new ATOM 0 HA VAL A 50 1.786 -8.094 6.725 1.00 0.00 H new ATOM 0 HB VAL A 50 3.736 -6.663 5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.900 -8.472 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.962 -9.081 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.340 -9.286 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.169 -6.485 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.569 -7.194 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.694 -5.612 4.026 1.00 0.00 H new ATOM 769 N ARG A 51 1.683 -5.545 7.305 1.00 0.00 N ATOM 770 CA ARG A 51 1.330 -4.198 7.707 1.00 0.00 C ATOM 771 C ARG A 51 2.208 -3.196 6.976 1.00 0.00 C ATOM 772 O ARG A 51 3.439 -3.280 7.020 1.00 0.00 O ATOM 773 CB ARG A 51 1.483 -4.023 9.220 1.00 0.00 C ATOM 774 CG ARG A 51 0.466 -4.805 10.033 1.00 0.00 C ATOM 775 CD ARG A 51 0.727 -4.687 11.527 1.00 0.00 C ATOM 776 NE ARG A 51 1.955 -5.371 11.928 1.00 0.00 N ATOM 777 CZ ARG A 51 2.221 -5.764 13.171 1.00 0.00 C ATOM 778 NH1 ARG A 51 1.371 -5.499 14.156 1.00 0.00 N ATOM 779 NH2 ARG A 51 3.349 -6.411 13.422 1.00 0.00 N ATOM 0 H ARG A 51 2.323 -6.021 7.941 1.00 0.00 H new ATOM 0 HA ARG A 51 0.286 -4.022 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.486 -4.335 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.394 -2.965 9.465 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.536 -4.440 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.496 -5.855 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.794 -3.634 11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.116 -5.106 12.076 1.00 0.00 H new ATOM 0 HE ARG A 51 2.653 -5.559 11.208 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.508 -4.991 13.962 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.581 -5.803 15.107 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.005 -6.604 12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.561 -6.716 14.372 1.00 0.00 H new ATOM 793 N ILE A 52 1.579 -2.269 6.283 1.00 0.00 N ATOM 794 CA ILE A 52 2.307 -1.228 5.585 1.00 0.00 C ATOM 795 C ILE A 52 1.935 0.134 6.143 1.00 0.00 C ATOM 796 O ILE A 52 0.764 0.405 6.417 1.00 0.00 O ATOM 797 CB ILE A 52 2.035 -1.246 4.061 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.546 -1.012 3.773 1.00 0.00 C ATOM 799 CG2 ILE A 52 2.495 -2.566 3.458 1.00 0.00 C ATOM 800 CD1 ILE A 52 0.221 -0.837 2.305 1.00 0.00 C ATOM 0 H ILE A 52 0.565 -2.215 6.188 1.00 0.00 H new ATOM 0 HA ILE A 52 3.369 -1.420 5.741 1.00 0.00 H new ATOM 0 HB ILE A 52 2.602 -0.437 3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.025 -1.855 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.217 -0.126 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.298 -2.565 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.564 -2.692 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.953 -3.388 3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.851 -0.676 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.763 0.024 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.517 -1.732 1.758 1.00 0.00 H new ATOM 812 N LYS A 53 2.927 0.981 6.339 1.00 0.00 N ATOM 813 CA LYS A 53 2.669 2.341 6.753 1.00 0.00 C ATOM 814 C LYS A 53 2.760 3.260 5.552 1.00 0.00 C ATOM 815 O LYS A 53 3.824 3.400 4.944 1.00 0.00 O ATOM 816 CB LYS A 53 3.636 2.799 7.853 1.00 0.00 C ATOM 817 CG LYS A 53 3.424 4.252 8.262 1.00 0.00 C ATOM 818 CD LYS A 53 4.213 4.623 9.509 1.00 0.00 C ATOM 819 CE LYS A 53 4.104 6.108 9.819 1.00 0.00 C ATOM 820 NZ LYS A 53 4.866 6.938 8.852 1.00 0.00 N ATOM 0 H LYS A 53 3.913 0.750 6.218 1.00 0.00 H new ATOM 0 HA LYS A 53 1.664 2.383 7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.513 2.159 8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.661 2.671 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.719 4.905 7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.363 4.425 8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.846 4.046 10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.261 4.356 9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.055 6.405 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.474 6.296 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.593 7.936 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.885 6.836 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.655 6.624 7.883 1.00 0.00 H new ATOM 834 N VAL A 54 1.633 3.855 5.196 1.00 0.00 N ATOM 835 CA VAL A 54 1.590 4.812 4.110 1.00 0.00 C ATOM 836 C VAL A 54 2.325 6.066 4.537 1.00 0.00 C ATOM 837 O VAL A 54 1.973 6.680 5.550 1.00 0.00 O ATOM 838 CB VAL A 54 0.140 5.164 3.704 1.00 0.00 C ATOM 839 CG1 VAL A 54 0.125 6.203 2.589 1.00 0.00 C ATOM 840 CG2 VAL A 54 -0.608 3.914 3.270 1.00 0.00 C ATOM 0 H VAL A 54 0.734 3.689 5.648 1.00 0.00 H new ATOM 0 HA VAL A 54 2.069 4.365 3.239 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.362 5.588 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.906 6.434 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.623 7.110 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.647 5.809 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.627 4.179 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.100 3.464 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.634 3.201 4.094 1.00 0.00 H new ATOM 850 N GLU A 55 3.354 6.413 3.774 1.00 0.00 N ATOM 851 CA GLU A 55 4.238 7.519 4.108 1.00 0.00 C ATOM 852 C GLU A 55 3.790 8.799 3.417 1.00 0.00 C ATOM 853 O GLU A 55 3.716 9.860 4.034 1.00 0.00 O ATOM 854 CB GLU A 55 5.672 7.185 3.679 1.00 0.00 C ATOM 855 CG GLU A 55 6.231 5.924 4.315 1.00 0.00 C ATOM 856 CD GLU A 55 6.468 6.075 5.802 1.00 0.00 C ATOM 857 OE1 GLU A 55 5.523 5.869 6.583 1.00 0.00 O ATOM 858 OE2 GLU A 55 7.608 6.402 6.197 1.00 0.00 O ATOM 0 H GLU A 55 3.598 5.935 2.907 1.00 0.00 H new ATOM 0 HA GLU A 55 4.201 7.672 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.699 7.075 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.320 8.024 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.540 5.099 4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.169 5.661 3.827 1.00 0.00 H new ATOM 865 N ARG A 56 3.477 8.682 2.133 1.00 0.00 N ATOM 866 CA ARG A 56 3.191 9.845 1.303 1.00 0.00 C ATOM 867 C ARG A 56 2.039 9.542 0.355 1.00 0.00 C ATOM 868 O ARG A 56 1.974 8.450 -0.219 1.00 0.00 O ATOM 869 CB ARG A 56 4.439 10.210 0.493 1.00 0.00 C ATOM 870 CG ARG A 56 4.337 11.517 -0.278 1.00 0.00 C ATOM 871 CD ARG A 56 4.894 12.681 0.524 1.00 0.00 C ATOM 872 NE ARG A 56 4.076 13.021 1.687 1.00 0.00 N ATOM 873 CZ ARG A 56 4.560 13.582 2.796 1.00 0.00 C ATOM 874 NH1 ARG A 56 5.869 13.748 2.946 1.00 0.00 N ATOM 875 NH2 ARG A 56 3.732 13.952 3.760 1.00 0.00 N ATOM 0 H ARG A 56 3.415 7.790 1.642 1.00 0.00 H new ATOM 0 HA ARG A 56 2.911 10.681 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.291 10.269 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.647 9.404 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.880 11.429 -1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.294 11.712 -0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.903 12.436 0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.975 13.554 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 56 3.077 12.817 1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.509 13.446 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.235 14.178 3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.728 13.808 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.098 14.381 4.610 1.00 0.00 H new ATOM 889 N VAL A 57 1.131 10.493 0.193 1.00 0.00 N ATOM 890 CA VAL A 57 0.039 10.333 -0.753 1.00 0.00 C ATOM 891 C VAL A 57 0.149 11.349 -1.887 1.00 0.00 C ATOM 892 O VAL A 57 0.458 12.522 -1.668 1.00 0.00 O ATOM 893 CB VAL A 57 -1.353 10.446 -0.083 1.00 0.00 C ATOM 894 CG1 VAL A 57 -1.536 9.358 0.967 1.00 0.00 C ATOM 895 CG2 VAL A 57 -1.558 11.825 0.529 1.00 0.00 C ATOM 0 H VAL A 57 1.129 11.378 0.701 1.00 0.00 H new ATOM 0 HA VAL A 57 0.129 9.325 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.109 10.307 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.520 9.456 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.451 8.379 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.768 9.459 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.544 11.875 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.793 12.005 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.485 12.584 -0.250 1.00 0.00 H new ATOM 905 N LEU A 58 -0.072 10.880 -3.102 1.00 0.00 N ATOM 906 CA LEU A 58 -0.047 11.733 -4.277 1.00 0.00 C ATOM 907 C LEU A 58 -1.383 11.620 -4.999 1.00 0.00 C ATOM 908 O LEU A 58 -2.079 10.615 -4.857 1.00 0.00 O ATOM 909 CB LEU A 58 1.100 11.345 -5.226 1.00 0.00 C ATOM 910 CG LEU A 58 2.523 11.508 -4.670 1.00 0.00 C ATOM 911 CD1 LEU A 58 2.910 10.331 -3.787 1.00 0.00 C ATOM 912 CD2 LEU A 58 3.519 11.671 -5.804 1.00 0.00 C ATOM 0 H LEU A 58 -0.273 9.900 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 58 0.121 12.762 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.964 10.304 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.015 11.946 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 58 2.541 12.407 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.922 10.477 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.217 10.261 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.869 9.410 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.522 11.785 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.488 10.790 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.263 12.555 -6.389 1.00 0.00 H new ATOM 924 N PRO A 59 -1.759 12.638 -5.788 1.00 0.00 N ATOM 925 CA PRO A 59 -3.046 12.662 -6.501 1.00 0.00 C ATOM 926 C PRO A 59 -3.240 11.478 -7.451 1.00 0.00 C ATOM 927 O PRO A 59 -4.362 11.196 -7.875 1.00 0.00 O ATOM 928 CB PRO A 59 -2.994 13.968 -7.298 1.00 0.00 C ATOM 929 CG PRO A 59 -1.988 14.813 -6.597 1.00 0.00 C ATOM 930 CD PRO A 59 -0.971 13.861 -6.038 1.00 0.00 C ATOM 0 HA PRO A 59 -3.879 12.595 -5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.703 13.787 -8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.969 14.454 -7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.525 15.520 -7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.453 15.398 -5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.159 13.680 -6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.520 14.244 -5.123 1.00 0.00 H new ATOM 938 N LYS A 60 -2.155 10.789 -7.783 1.00 0.00 N ATOM 939 CA LYS A 60 -2.223 9.689 -8.738 1.00 0.00 C ATOM 940 C LYS A 60 -1.999 8.333 -8.062 1.00 0.00 C ATOM 941 O LYS A 60 -2.433 7.302 -8.577 1.00 0.00 O ATOM 942 CB LYS A 60 -1.191 9.907 -9.849 1.00 0.00 C ATOM 943 CG LYS A 60 -1.315 8.934 -11.012 1.00 0.00 C ATOM 944 CD LYS A 60 -0.310 9.243 -12.115 1.00 0.00 C ATOM 945 CE LYS A 60 -0.524 10.632 -12.707 1.00 0.00 C ATOM 946 NZ LYS A 60 -1.869 10.777 -13.330 1.00 0.00 N ATOM 0 H LYS A 60 -1.224 10.970 -7.408 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.225 9.676 -9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.291 10.924 -10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.191 9.822 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.160 7.916 -10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.326 8.979 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.701 9.171 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.395 8.495 -12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.406 11.381 -11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.244 10.829 -13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.910 11.668 -13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.041 9.979 -13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.597 10.785 -12.587 1.00 0.00 H new ATOM 960 N PHE A 61 -1.345 8.335 -6.903 1.00 0.00 N ATOM 961 CA PHE A 61 -0.979 7.085 -6.230 1.00 0.00 C ATOM 962 C PHE A 61 -0.408 7.358 -4.844 1.00 0.00 C ATOM 963 O PHE A 61 -0.164 8.505 -4.482 1.00 0.00 O ATOM 964 CB PHE A 61 0.041 6.296 -7.064 1.00 0.00 C ATOM 965 CG PHE A 61 1.347 7.016 -7.299 1.00 0.00 C ATOM 966 CD1 PHE A 61 2.403 6.877 -6.410 1.00 0.00 C ATOM 967 CD2 PHE A 61 1.517 7.826 -8.411 1.00 0.00 C ATOM 968 CE1 PHE A 61 3.600 7.533 -6.626 1.00 0.00 C ATOM 969 CE2 PHE A 61 2.711 8.486 -8.631 1.00 0.00 C ATOM 970 CZ PHE A 61 3.753 8.338 -7.738 1.00 0.00 C ATOM 0 H PHE A 61 -1.058 9.181 -6.410 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.886 6.490 -6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.247 5.350 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.406 6.055 -8.029 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.288 6.249 -5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.706 7.943 -9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.415 7.416 -5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.829 9.116 -9.500 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.688 8.851 -7.909 1.00 0.00 H new ATOM 980 N ALA A 62 -0.189 6.301 -4.072 1.00 0.00 N ATOM 981 CA ALA A 62 0.397 6.439 -2.746 1.00 0.00 C ATOM 982 C ALA A 62 1.593 5.511 -2.579 1.00 0.00 C ATOM 983 O ALA A 62 1.713 4.507 -3.283 1.00 0.00 O ATOM 984 CB ALA A 62 -0.640 6.157 -1.672 1.00 0.00 C ATOM 0 H ALA A 62 -0.408 5.342 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 62 0.743 7.467 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.183 6.265 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.465 6.863 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.016 5.141 -1.788 1.00 0.00 H new ATOM 990 N PHE A 63 2.470 5.852 -1.645 1.00 0.00 N ATOM 991 CA PHE A 63 3.654 5.051 -1.370 1.00 0.00 C ATOM 992 C PHE A 63 3.687 4.671 0.106 1.00 0.00 C ATOM 993 O PHE A 63 3.414 5.505 0.975 1.00 0.00 O ATOM 994 CB PHE A 63 4.916 5.834 -1.747 1.00 0.00 C ATOM 995 CG PHE A 63 6.185 5.037 -1.646 1.00 0.00 C ATOM 996 CD1 PHE A 63 6.587 4.226 -2.690 1.00 0.00 C ATOM 997 CD2 PHE A 63 6.975 5.103 -0.509 1.00 0.00 C ATOM 998 CE1 PHE A 63 7.754 3.492 -2.606 1.00 0.00 C ATOM 999 CE2 PHE A 63 8.143 4.371 -0.418 1.00 0.00 C ATOM 1000 CZ PHE A 63 8.534 3.565 -1.468 1.00 0.00 C ATOM 0 H PHE A 63 2.382 6.684 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 63 3.618 4.140 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.811 6.202 -2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.996 6.707 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.982 4.165 -3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.674 5.733 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.056 2.862 -3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.749 4.429 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.447 2.993 -1.400 1.00 0.00 H new ATOM 1010 N ALA A 64 4.013 3.418 0.390 1.00 0.00 N ATOM 1011 CA ALA A 64 4.014 2.924 1.758 1.00 0.00 C ATOM 1012 C ALA A 64 5.241 2.067 2.039 1.00 0.00 C ATOM 1013 O ALA A 64 5.920 1.610 1.117 1.00 0.00 O ATOM 1014 CB ALA A 64 2.738 2.137 2.031 1.00 0.00 C ATOM 0 H ALA A 64 4.280 2.725 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 64 4.052 3.783 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.749 1.771 3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.873 2.784 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.678 1.292 1.346 1.00 0.00 H new ATOM 1020 N SER A 65 5.522 1.856 3.316 1.00 0.00 N ATOM 1021 CA SER A 65 6.666 1.061 3.730 1.00 0.00 C ATOM 1022 C SER A 65 6.216 -0.181 4.498 1.00 0.00 C ATOM 1023 O SER A 65 5.225 -0.141 5.229 1.00 0.00 O ATOM 1024 CB SER A 65 7.610 1.911 4.587 1.00 0.00 C ATOM 1025 OG SER A 65 6.909 2.564 5.638 1.00 0.00 O ATOM 0 H SER A 65 4.968 2.228 4.088 1.00 0.00 H new ATOM 0 HA SER A 65 7.200 0.730 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.392 1.278 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.104 2.654 3.960 1.00 0.00 H new ATOM 0 HG SER A 65 7.537 3.097 6.168 1.00 0.00 H new ATOM 1031 N VAL A 66 6.940 -1.280 4.321 1.00 0.00 N ATOM 1032 CA VAL A 66 6.621 -2.524 5.010 1.00 0.00 C ATOM 1033 C VAL A 66 7.114 -2.467 6.450 1.00 0.00 C ATOM 1034 O VAL A 66 8.280 -2.161 6.698 1.00 0.00 O ATOM 1035 CB VAL A 66 7.267 -3.749 4.321 1.00 0.00 C ATOM 1036 CG1 VAL A 66 6.824 -5.043 4.989 1.00 0.00 C ATOM 1037 CG2 VAL A 66 6.938 -3.775 2.840 1.00 0.00 C ATOM 0 H VAL A 66 7.752 -1.335 3.706 1.00 0.00 H new ATOM 0 HA VAL A 66 5.537 -2.636 4.979 1.00 0.00 H new ATOM 0 HB VAL A 66 8.348 -3.661 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.291 -5.890 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.123 -5.032 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.740 -5.134 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.404 -4.646 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.857 -3.829 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.316 -2.868 2.367 1.00 0.00 H new ATOM 1047 N VAL A 67 6.225 -2.744 7.395 1.00 0.00 N ATOM 1048 CA VAL A 67 6.612 -2.787 8.798 1.00 0.00 C ATOM 1049 C VAL A 67 6.263 -4.138 9.405 1.00 0.00 C ATOM 1050 O VAL A 67 6.297 -4.308 10.624 1.00 0.00 O ATOM 1051 CB VAL A 67 5.950 -1.656 9.622 1.00 0.00 C ATOM 1052 CG1 VAL A 67 6.364 -0.291 9.095 1.00 0.00 C ATOM 1053 CG2 VAL A 67 4.434 -1.789 9.620 1.00 0.00 C ATOM 0 H VAL A 67 5.240 -2.941 7.218 1.00 0.00 H new ATOM 0 HA VAL A 67 7.691 -2.638 8.836 1.00 0.00 H new ATOM 0 HB VAL A 67 6.296 -1.749 10.651 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.887 0.488 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.447 -0.188 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.055 -0.194 8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.997 -0.981 10.207 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.065 -1.734 8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.152 -2.747 10.056 1.00 0.00 H new ATOM 1063 N GLU A 68 5.962 -5.090 8.526 1.00 0.00 N ATOM 1064 CA GLU A 68 5.592 -6.454 8.913 1.00 0.00 C ATOM 1065 C GLU A 68 4.311 -6.445 9.748 1.00 0.00 C ATOM 1066 O GLU A 68 3.228 -6.682 9.170 1.00 0.00 O ATOM 1067 CB GLU A 68 6.752 -7.135 9.663 1.00 0.00 C ATOM 1068 CG GLU A 68 6.586 -8.637 9.886 1.00 0.00 C ATOM 1069 CD GLU A 68 5.663 -8.981 11.041 1.00 0.00 C ATOM 1070 OE1 GLU A 68 6.026 -8.684 12.202 1.00 0.00 O ATOM 1071 OE2 GLU A 68 4.582 -9.561 10.797 1.00 0.00 O ATOM 1072 OXT GLU A 68 4.385 -6.182 10.963 1.00 0.00 O ATOM 0 H GLU A 68 5.967 -4.939 7.517 1.00 0.00 H new ATOM 0 HA GLU A 68 5.395 -7.034 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.673 -6.966 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.872 -6.651 10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.198 -9.091 8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.565 -9.079 10.070 1.00 0.00 H new