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 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.48) USER MOD Single : A 44 THR OG1 : rot -88:sc= 0.709 USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0166) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= -1.53 (180deg=-3.78!) USER MOD Single : A 65 SER OG : rot -113:sc= 0.588 USER MOD ----------------------------------------------------------------- ATOM 156 N PRO A 10 -8.870 7.428 0.477 1.00 0.00 N ATOM 157 CA PRO A 10 -9.265 7.070 1.832 1.00 0.00 C ATOM 158 C PRO A 10 -8.087 6.990 2.805 1.00 0.00 C ATOM 159 O PRO A 10 -8.278 6.848 4.013 1.00 0.00 O ATOM 160 CB PRO A 10 -9.895 5.693 1.633 1.00 0.00 C ATOM 161 CG PRO A 10 -9.188 5.097 0.455 1.00 0.00 C ATOM 162 CD PRO A 10 -8.585 6.236 -0.336 1.00 0.00 C ATOM 0 HA PRO A 10 -9.925 7.814 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.771 5.073 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.966 5.774 1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.412 4.405 0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.883 4.527 -0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.513 6.098 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.032 6.313 -1.327 1.00 0.00 H new ATOM 170 N VAL A 11 -6.874 7.092 2.283 1.00 0.00 N ATOM 171 CA VAL A 11 -5.680 6.943 3.104 1.00 0.00 C ATOM 172 C VAL A 11 -4.870 8.236 3.131 1.00 0.00 C ATOM 173 O VAL A 11 -4.975 9.061 2.225 1.00 0.00 O ATOM 174 CB VAL A 11 -4.780 5.786 2.609 1.00 0.00 C ATOM 175 CG1 VAL A 11 -5.541 4.470 2.619 1.00 0.00 C ATOM 176 CG2 VAL A 11 -4.229 6.074 1.220 1.00 0.00 C ATOM 0 H VAL A 11 -6.690 7.277 1.297 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.021 6.708 4.112 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.937 5.702 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.889 3.670 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.872 4.249 3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.408 4.546 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.600 5.244 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.055 6.196 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.637 6.989 1.246 1.00 0.00 H new ATOM 186 N GLU A 12 -4.069 8.404 4.174 1.00 0.00 N ATOM 187 CA GLU A 12 -3.223 9.581 4.322 1.00 0.00 C ATOM 188 C GLU A 12 -1.790 9.157 4.612 1.00 0.00 C ATOM 189 O GLU A 12 -1.547 8.033 5.049 1.00 0.00 O ATOM 190 CB GLU A 12 -3.736 10.475 5.456 1.00 0.00 C ATOM 191 CG GLU A 12 -5.113 11.062 5.203 1.00 0.00 C ATOM 192 CD GLU A 12 -5.627 11.866 6.380 1.00 0.00 C ATOM 193 OE1 GLU A 12 -5.246 13.048 6.513 1.00 0.00 O ATOM 194 OE2 GLU A 12 -6.420 11.320 7.179 1.00 0.00 O ATOM 0 H GLU A 12 -3.987 7.733 4.938 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.252 10.146 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.763 9.895 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.028 11.289 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.076 11.700 4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.813 10.256 4.984 1.00 0.00 H new ATOM 201 N GLU A 13 -0.842 10.036 4.327 1.00 0.00 N ATOM 202 CA GLU A 13 0.556 9.771 4.638 1.00 0.00 C ATOM 203 C GLU A 13 0.782 9.730 6.148 1.00 0.00 C ATOM 204 O GLU A 13 0.392 10.642 6.874 1.00 0.00 O ATOM 205 CB GLU A 13 1.463 10.805 3.963 1.00 0.00 C ATOM 206 CG GLU A 13 1.049 12.245 4.206 1.00 0.00 C ATOM 207 CD GLU A 13 1.849 13.226 3.379 1.00 0.00 C ATOM 208 OE1 GLU A 13 1.509 13.425 2.193 1.00 0.00 O ATOM 209 OE2 GLU A 13 2.819 13.806 3.908 1.00 0.00 O ATOM 0 H GLU A 13 -1.013 10.938 3.882 1.00 0.00 H new ATOM 0 HA GLU A 13 0.816 8.789 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.483 10.666 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.473 10.617 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.010 12.359 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.172 12.481 5.263 1.00 0.00 H new ATOM 216 N GLY A 14 1.398 8.655 6.610 1.00 0.00 N ATOM 217 CA GLY A 14 1.638 8.469 8.025 1.00 0.00 C ATOM 218 C GLY A 14 0.608 7.566 8.659 1.00 0.00 C ATOM 219 O GLY A 14 0.308 7.695 9.847 1.00 0.00 O ATOM 0 H GLY A 14 1.741 7.897 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.631 8.045 8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.628 9.438 8.525 1.00 0.00 H new ATOM 223 N GLU A 15 0.074 6.646 7.871 1.00 0.00 N ATOM 224 CA GLU A 15 -0.941 5.715 8.356 1.00 0.00 C ATOM 225 C GLU A 15 -0.407 4.289 8.328 1.00 0.00 C ATOM 226 O GLU A 15 0.658 4.033 7.770 1.00 0.00 O ATOM 227 CB GLU A 15 -2.212 5.807 7.508 1.00 0.00 C ATOM 228 CG GLU A 15 -2.938 7.139 7.623 1.00 0.00 C ATOM 229 CD GLU A 15 -3.493 7.388 9.008 1.00 0.00 C ATOM 230 OE1 GLU A 15 -4.528 6.780 9.355 1.00 0.00 O ATOM 231 OE2 GLU A 15 -2.897 8.184 9.758 1.00 0.00 O ATOM 0 H GLU A 15 0.325 6.521 6.890 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.186 5.986 9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.953 5.635 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.892 5.008 7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.252 7.945 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.753 7.167 6.900 1.00 0.00 H new ATOM 238 N VAL A 16 -1.145 3.362 8.921 1.00 0.00 N ATOM 239 CA VAL A 16 -0.726 1.969 8.950 1.00 0.00 C ATOM 240 C VAL A 16 -1.929 1.045 8.767 1.00 0.00 C ATOM 241 O VAL A 16 -2.924 1.143 9.487 1.00 0.00 O ATOM 242 CB VAL A 16 0.035 1.625 10.258 1.00 0.00 C ATOM 243 CG1 VAL A 16 -0.816 1.919 11.488 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.496 0.173 10.253 1.00 0.00 C ATOM 0 H VAL A 16 -2.033 3.548 9.387 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.036 1.814 8.121 1.00 0.00 H new ATOM 0 HB VAL A 16 0.918 2.262 10.304 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.254 1.667 12.388 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.075 2.978 11.506 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.728 1.323 11.451 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.027 -0.043 11.180 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.370 -0.483 10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.162 0.006 9.406 1.00 0.00 H new ATOM 254 N TYR A 17 -1.842 0.163 7.780 1.00 0.00 N ATOM 255 CA TYR A 17 -2.933 -0.753 7.471 1.00 0.00 C ATOM 256 C TYR A 17 -2.396 -2.152 7.220 1.00 0.00 C ATOM 257 O TYR A 17 -1.256 -2.317 6.783 1.00 0.00 O ATOM 258 CB TYR A 17 -3.699 -0.300 6.221 1.00 0.00 C ATOM 259 CG TYR A 17 -4.234 1.114 6.268 1.00 0.00 C ATOM 260 CD1 TYR A 17 -5.440 1.406 6.892 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.542 2.152 5.660 1.00 0.00 C ATOM 262 CE1 TYR A 17 -5.940 2.693 6.907 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.032 3.441 5.678 1.00 0.00 C ATOM 264 CZ TYR A 17 -5.233 3.707 6.301 1.00 0.00 C ATOM 265 OH TYR A 17 -5.733 4.990 6.300 1.00 0.00 O ATOM 0 H TYR A 17 -1.025 0.062 7.178 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.606 -0.756 8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.040 -0.393 5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.534 -0.982 6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.995 0.614 7.373 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.604 1.947 5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.882 2.903 7.392 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.477 4.239 5.206 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.110 5.584 5.831 1.00 0.00 H new ATOM 275 N ASP A 18 -3.210 -3.156 7.500 1.00 0.00 N ATOM 276 CA ASP A 18 -2.881 -4.522 7.118 1.00 0.00 C ATOM 277 C ASP A 18 -3.479 -4.807 5.748 1.00 0.00 C ATOM 278 O ASP A 18 -4.667 -4.581 5.522 1.00 0.00 O ATOM 279 CB ASP A 18 -3.386 -5.535 8.155 1.00 0.00 C ATOM 280 CG ASP A 18 -4.897 -5.547 8.298 1.00 0.00 C ATOM 281 OD1 ASP A 18 -5.430 -4.728 9.077 1.00 0.00 O ATOM 282 OD2 ASP A 18 -5.554 -6.390 7.651 1.00 0.00 O ATOM 0 H ASP A 18 -4.100 -3.054 7.988 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.797 -4.626 7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.047 -6.532 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.938 -5.307 9.122 1.00 0.00 H new ATOM 287 N VAL A 19 -2.651 -5.263 4.822 1.00 0.00 N ATOM 288 CA VAL A 19 -3.088 -5.466 3.449 1.00 0.00 C ATOM 289 C VAL A 19 -2.496 -6.736 2.856 1.00 0.00 C ATOM 290 O VAL A 19 -1.435 -7.197 3.276 1.00 0.00 O ATOM 291 CB VAL A 19 -2.690 -4.280 2.539 1.00 0.00 C ATOM 292 CG1 VAL A 19 -3.405 -3.001 2.957 1.00 0.00 C ATOM 293 CG2 VAL A 19 -1.180 -4.084 2.549 1.00 0.00 C ATOM 0 H VAL A 19 -1.674 -5.499 4.995 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.174 -5.548 3.488 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.001 -4.516 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.105 -2.185 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.483 -3.147 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.139 -2.755 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.918 -3.246 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.847 -3.877 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.693 -4.989 2.185 1.00 0.00 H new ATOM 303 N THR A 20 -3.194 -7.297 1.887 1.00 0.00 N ATOM 304 CA THR A 20 -2.665 -8.393 1.104 1.00 0.00 C ATOM 305 C THR A 20 -2.305 -7.886 -0.288 1.00 0.00 C ATOM 306 O THR A 20 -3.152 -7.334 -0.993 1.00 0.00 O ATOM 307 CB THR A 20 -3.680 -9.546 0.996 1.00 0.00 C ATOM 308 OG1 THR A 20 -4.100 -9.944 2.306 1.00 0.00 O ATOM 309 CG2 THR A 20 -3.077 -10.743 0.281 1.00 0.00 C ATOM 0 H THR A 20 -4.136 -7.008 1.623 1.00 0.00 H new ATOM 0 HA THR A 20 -1.775 -8.778 1.603 1.00 0.00 H new ATOM 0 HB THR A 20 -4.534 -9.191 0.420 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.747 -10.677 2.234 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.817 -11.541 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.774 -10.451 -0.725 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.207 -11.097 0.834 1.00 0.00 H new ATOM 317 N ILE A 21 -1.046 -8.044 -0.665 1.00 0.00 N ATOM 318 CA ILE A 21 -0.567 -7.561 -1.949 1.00 0.00 C ATOM 319 C ILE A 21 -1.172 -8.374 -3.086 1.00 0.00 C ATOM 320 O ILE A 21 -0.933 -9.577 -3.200 1.00 0.00 O ATOM 321 CB ILE A 21 0.972 -7.619 -2.027 1.00 0.00 C ATOM 322 CG1 ILE A 21 1.593 -6.808 -0.883 1.00 0.00 C ATOM 323 CG2 ILE A 21 1.461 -7.105 -3.371 1.00 0.00 C ATOM 324 CD1 ILE A 21 1.223 -5.339 -0.900 1.00 0.00 C ATOM 0 H ILE A 21 -0.335 -8.505 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.879 -6.521 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 21 1.284 -8.659 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.280 -7.240 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.678 -6.900 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.549 -7.154 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.044 -7.720 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.140 -6.072 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.701 -4.834 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.561 -4.890 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.141 -5.235 -0.818 1.00 0.00 H new ATOM 336 N GLN A 22 -1.964 -7.709 -3.916 1.00 0.00 N ATOM 337 CA GLN A 22 -2.688 -8.379 -4.984 1.00 0.00 C ATOM 338 C GLN A 22 -1.791 -8.621 -6.191 1.00 0.00 C ATOM 339 O GLN A 22 -1.652 -9.749 -6.658 1.00 0.00 O ATOM 340 CB GLN A 22 -3.898 -7.541 -5.397 1.00 0.00 C ATOM 341 CG GLN A 22 -4.819 -7.190 -4.237 1.00 0.00 C ATOM 342 CD GLN A 22 -5.452 -8.409 -3.593 1.00 0.00 C ATOM 343 OE1 GLN A 22 -5.710 -9.415 -4.255 1.00 0.00 O ATOM 344 NE2 GLN A 22 -5.693 -8.337 -2.293 1.00 0.00 N ATOM 0 H GLN A 22 -2.121 -6.702 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.024 -9.346 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.549 -6.620 -5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.467 -8.086 -6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.253 -6.641 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.605 -6.524 -4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.465 -7.486 -1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.106 -9.132 -1.806 1.00 0.00 H new ATOM 353 N ASP A 23 -1.177 -7.557 -6.689 1.00 0.00 N ATOM 354 CA ASP A 23 -0.343 -7.646 -7.885 1.00 0.00 C ATOM 355 C ASP A 23 1.027 -7.021 -7.614 1.00 0.00 C ATOM 356 O ASP A 23 1.258 -6.481 -6.535 1.00 0.00 O ATOM 357 CB ASP A 23 -1.047 -6.946 -9.059 1.00 0.00 C ATOM 358 CG ASP A 23 -0.390 -7.205 -10.403 1.00 0.00 C ATOM 359 OD1 ASP A 23 0.402 -8.163 -10.516 1.00 0.00 O ATOM 360 OD2 ASP A 23 -0.666 -6.452 -11.360 1.00 0.00 O ATOM 0 H ASP A 23 -1.239 -6.622 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.192 -8.693 -8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.084 -7.279 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.064 -5.872 -8.873 1.00 0.00 H new ATOM 365 N ILE A 24 1.922 -7.096 -8.587 1.00 0.00 N ATOM 366 CA ILE A 24 3.267 -6.565 -8.461 1.00 0.00 C ATOM 367 C ILE A 24 3.594 -5.789 -9.725 1.00 0.00 C ATOM 368 O ILE A 24 3.262 -6.222 -10.826 1.00 0.00 O ATOM 369 CB ILE A 24 4.316 -7.689 -8.262 1.00 0.00 C ATOM 370 CG1 ILE A 24 4.053 -8.460 -6.964 1.00 0.00 C ATOM 371 CG2 ILE A 24 5.735 -7.124 -8.261 1.00 0.00 C ATOM 372 CD1 ILE A 24 4.192 -7.619 -5.715 1.00 0.00 C ATOM 0 H ILE A 24 1.733 -7.530 -9.491 1.00 0.00 H new ATOM 0 HA ILE A 24 3.306 -5.921 -7.583 1.00 0.00 H new ATOM 0 HB ILE A 24 4.222 -8.379 -9.101 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.047 -8.879 -6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.746 -9.299 -6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.449 -7.935 -8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.931 -6.630 -9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.839 -6.403 -7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.991 -8.234 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.205 -7.221 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.480 -6.794 -5.751 1.00 0.00 H new ATOM 384 N ALA A 25 4.243 -4.651 -9.572 1.00 0.00 N ATOM 385 CA ALA A 25 4.522 -3.777 -10.702 1.00 0.00 C ATOM 386 C ALA A 25 5.766 -4.209 -11.486 1.00 0.00 C ATOM 387 O ALA A 25 6.412 -3.384 -12.135 1.00 0.00 O ATOM 388 CB ALA A 25 4.660 -2.355 -10.209 1.00 0.00 C ATOM 0 H ALA A 25 4.589 -4.307 -8.676 1.00 0.00 H new ATOM 0 HA ALA A 25 3.685 -3.846 -11.397 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.869 -1.696 -11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.732 -2.045 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.478 -2.297 -9.491 1.00 0.00 H new ATOM 442 N ASP A 29 7.415 -3.127 -6.319 1.00 0.00 N ATOM 443 CA ASP A 29 6.297 -2.378 -5.763 1.00 0.00 C ATOM 444 C ASP A 29 5.024 -3.198 -5.852 1.00 0.00 C ATOM 445 O ASP A 29 4.592 -3.574 -6.946 1.00 0.00 O ATOM 446 CB ASP A 29 6.110 -1.049 -6.502 1.00 0.00 C ATOM 447 CG ASP A 29 7.348 -0.175 -6.457 1.00 0.00 C ATOM 448 OD1 ASP A 29 8.393 -0.598 -6.995 1.00 0.00 O ATOM 449 OD2 ASP A 29 7.280 0.940 -5.898 1.00 0.00 O ATOM 0 HA ASP A 29 6.516 -2.165 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.849 -1.249 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.272 -0.508 -6.062 1.00 0.00 H new ATOM 454 N GLY A 30 4.448 -3.502 -4.701 1.00 0.00 N ATOM 455 CA GLY A 30 3.222 -4.263 -4.657 1.00 0.00 C ATOM 456 C GLY A 30 2.011 -3.415 -4.967 1.00 0.00 C ATOM 457 O GLY A 30 1.976 -2.230 -4.640 1.00 0.00 O ATOM 0 H GLY A 30 4.813 -3.231 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.281 -5.084 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.108 -4.708 -3.668 1.00 0.00 H new ATOM 461 N ILE A 31 1.026 -4.022 -5.608 1.00 0.00 N ATOM 462 CA ILE A 31 -0.189 -3.330 -5.994 1.00 0.00 C ATOM 463 C ILE A 31 -1.337 -3.717 -5.073 1.00 0.00 C ATOM 464 O ILE A 31 -1.933 -4.788 -5.216 1.00 0.00 O ATOM 465 CB ILE A 31 -0.577 -3.648 -7.456 1.00 0.00 C ATOM 466 CG1 ILE A 31 0.567 -3.278 -8.411 1.00 0.00 C ATOM 467 CG2 ILE A 31 -1.858 -2.922 -7.847 1.00 0.00 C ATOM 468 CD1 ILE A 31 0.950 -1.814 -8.370 1.00 0.00 C ATOM 0 H ILE A 31 1.047 -5.006 -5.874 1.00 0.00 H new ATOM 0 HA ILE A 31 0.003 -2.260 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.757 -4.720 -7.534 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.442 -3.880 -8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.277 -3.539 -9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.111 -3.161 -8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.670 -3.238 -7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.711 -1.846 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.764 -1.631 -9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.089 -1.205 -8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.273 -1.550 -7.363 1.00 0.00 H new ATOM 480 N ALA A 32 -1.619 -2.859 -4.110 1.00 0.00 N ATOM 481 CA ALA A 32 -2.751 -3.052 -3.221 1.00 0.00 C ATOM 482 C ALA A 32 -3.610 -1.801 -3.212 1.00 0.00 C ATOM 483 O ALA A 32 -3.189 -0.757 -2.715 1.00 0.00 O ATOM 484 CB ALA A 32 -2.279 -3.394 -1.815 1.00 0.00 C ATOM 0 H ALA A 32 -1.076 -2.016 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.349 -3.888 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.143 -3.534 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.692 -4.312 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.664 -2.581 -1.430 1.00 0.00 H new ATOM 490 N ARG A 33 -4.801 -1.893 -3.779 1.00 0.00 N ATOM 491 CA ARG A 33 -5.668 -0.731 -3.890 1.00 0.00 C ATOM 492 C ARG A 33 -6.856 -0.836 -2.946 1.00 0.00 C ATOM 493 O ARG A 33 -7.439 -1.907 -2.770 1.00 0.00 O ATOM 494 CB ARG A 33 -6.153 -0.541 -5.332 1.00 0.00 C ATOM 495 CG ARG A 33 -6.992 -1.687 -5.860 1.00 0.00 C ATOM 496 CD ARG A 33 -7.398 -1.448 -7.303 1.00 0.00 C ATOM 497 NE ARG A 33 -8.231 -2.527 -7.830 1.00 0.00 N ATOM 498 CZ ARG A 33 -8.242 -2.895 -9.109 1.00 0.00 C ATOM 499 NH1 ARG A 33 -7.449 -2.286 -9.984 1.00 0.00 N ATOM 500 NH2 ARG A 33 -9.037 -3.879 -9.510 1.00 0.00 N ATOM 0 H ARG A 33 -5.188 -2.753 -4.167 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.080 0.142 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.736 0.378 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.287 -0.410 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.429 -2.618 -5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.883 -1.804 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.940 -0.505 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.504 -1.349 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.839 -3.027 -7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.831 -1.535 -9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.458 -2.569 -10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.640 -4.354 -8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.045 -4.161 -10.490 1.00 0.00 H new ATOM 514 N ILE A 34 -7.197 0.284 -2.333 1.00 0.00 N ATOM 515 CA ILE A 34 -8.361 0.357 -1.477 1.00 0.00 C ATOM 516 C ILE A 34 -9.310 1.431 -1.991 1.00 0.00 C ATOM 517 O ILE A 34 -8.945 2.606 -2.082 1.00 0.00 O ATOM 518 CB ILE A 34 -7.990 0.646 -0.006 1.00 0.00 C ATOM 519 CG1 ILE A 34 -7.102 -0.474 0.539 1.00 0.00 C ATOM 520 CG2 ILE A 34 -9.248 0.791 0.842 1.00 0.00 C ATOM 521 CD1 ILE A 34 -6.700 -0.277 1.983 1.00 0.00 C ATOM 0 H ILE A 34 -6.679 1.159 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.849 -0.617 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.438 1.585 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.629 -1.423 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.203 -0.545 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.969 0.994 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.851 1.615 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.825 -0.132 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.072 -1.108 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.145 0.656 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.593 -0.236 2.607 1.00 0.00 H new ATOM 533 N GLU A 35 -10.515 1.000 -2.343 1.00 0.00 N ATOM 534 CA GLU A 35 -11.539 1.880 -2.911 1.00 0.00 C ATOM 535 C GLU A 35 -11.033 2.548 -4.190 1.00 0.00 C ATOM 536 O GLU A 35 -11.404 3.676 -4.511 1.00 0.00 O ATOM 537 CB GLU A 35 -11.973 2.938 -1.890 1.00 0.00 C ATOM 538 CG GLU A 35 -12.518 2.349 -0.597 1.00 0.00 C ATOM 539 CD GLU A 35 -13.628 1.345 -0.832 1.00 0.00 C ATOM 540 OE1 GLU A 35 -14.752 1.763 -1.177 1.00 0.00 O ATOM 541 OE2 GLU A 35 -13.383 0.128 -0.667 1.00 0.00 O ATOM 0 H GLU A 35 -10.814 0.030 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.406 1.269 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.121 3.578 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.736 3.574 -2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.707 1.866 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.891 3.155 0.035 1.00 0.00 H new ATOM 548 N GLY A 36 -10.190 1.829 -4.923 1.00 0.00 N ATOM 549 CA GLY A 36 -9.652 2.341 -6.166 1.00 0.00 C ATOM 550 C GLY A 36 -8.277 2.951 -6.001 1.00 0.00 C ATOM 551 O GLY A 36 -7.455 2.901 -6.914 1.00 0.00 O ATOM 0 H GLY A 36 -9.869 0.893 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.601 1.532 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.332 3.092 -6.569 1.00 0.00 H new ATOM 555 N PHE A 37 -8.028 3.526 -4.834 1.00 0.00 N ATOM 556 CA PHE A 37 -6.763 4.189 -4.568 1.00 0.00 C ATOM 557 C PHE A 37 -5.671 3.151 -4.311 1.00 0.00 C ATOM 558 O PHE A 37 -5.683 2.458 -3.292 1.00 0.00 O ATOM 559 CB PHE A 37 -6.911 5.134 -3.374 1.00 0.00 C ATOM 560 CG PHE A 37 -5.836 6.175 -3.300 1.00 0.00 C ATOM 561 CD1 PHE A 37 -5.791 7.200 -4.228 1.00 0.00 C ATOM 562 CD2 PHE A 37 -4.876 6.137 -2.303 1.00 0.00 C ATOM 563 CE1 PHE A 37 -4.807 8.167 -4.165 1.00 0.00 C ATOM 564 CE2 PHE A 37 -3.889 7.101 -2.236 1.00 0.00 C ATOM 565 CZ PHE A 37 -3.855 8.117 -3.168 1.00 0.00 C ATOM 0 H PHE A 37 -8.687 3.546 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.475 4.778 -5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.881 5.628 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.903 4.549 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.534 7.244 -5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.899 5.345 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.783 8.962 -4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.145 7.059 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.084 8.872 -3.117 1.00 0.00 H new ATOM 575 N VAL A 38 -4.743 3.038 -5.249 1.00 0.00 N ATOM 576 CA VAL A 38 -3.707 2.016 -5.186 1.00 0.00 C ATOM 577 C VAL A 38 -2.522 2.463 -4.332 1.00 0.00 C ATOM 578 O VAL A 38 -2.058 3.597 -4.431 1.00 0.00 O ATOM 579 CB VAL A 38 -3.229 1.628 -6.607 1.00 0.00 C ATOM 580 CG1 VAL A 38 -2.696 2.834 -7.365 1.00 0.00 C ATOM 581 CG2 VAL A 38 -2.184 0.524 -6.547 1.00 0.00 C ATOM 0 H VAL A 38 -4.686 3.644 -6.067 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.147 1.139 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.094 1.251 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.370 2.525 -8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.483 3.582 -7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.853 3.261 -6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.865 0.270 -7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.325 0.867 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.613 -0.357 -6.070 1.00 0.00 H new ATOM 591 N ILE A 39 -2.060 1.572 -3.470 1.00 0.00 N ATOM 592 CA ILE A 39 -0.891 1.830 -2.650 1.00 0.00 C ATOM 593 C ILE A 39 0.283 0.993 -3.148 1.00 0.00 C ATOM 594 O ILE A 39 0.164 -0.224 -3.303 1.00 0.00 O ATOM 595 CB ILE A 39 -1.162 1.504 -1.165 1.00 0.00 C ATOM 596 CG1 ILE A 39 -2.425 2.227 -0.682 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.040 1.892 -0.313 1.00 0.00 C ATOM 598 CD1 ILE A 39 -2.791 1.915 0.753 1.00 0.00 C ATOM 0 H ILE A 39 -2.483 0.656 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.652 2.890 -2.729 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.323 0.431 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.280 3.302 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.259 1.954 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.164 1.657 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.917 1.336 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.228 2.961 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.694 2.461 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.969 0.845 0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.974 2.214 1.410 1.00 0.00 H new ATOM 610 N PHE A 40 1.401 1.650 -3.422 1.00 0.00 N ATOM 611 CA PHE A 40 2.604 0.963 -3.868 1.00 0.00 C ATOM 612 C PHE A 40 3.497 0.629 -2.684 1.00 0.00 C ATOM 613 O PHE A 40 3.900 1.516 -1.925 1.00 0.00 O ATOM 614 CB PHE A 40 3.380 1.823 -4.871 1.00 0.00 C ATOM 615 CG PHE A 40 2.749 1.900 -6.231 1.00 0.00 C ATOM 616 CD1 PHE A 40 1.620 2.670 -6.448 1.00 0.00 C ATOM 617 CD2 PHE A 40 3.293 1.203 -7.296 1.00 0.00 C ATOM 618 CE1 PHE A 40 1.044 2.745 -7.703 1.00 0.00 C ATOM 619 CE2 PHE A 40 2.723 1.271 -8.552 1.00 0.00 C ATOM 620 CZ PHE A 40 1.597 2.044 -8.756 1.00 0.00 C ATOM 0 H PHE A 40 1.500 2.662 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 40 2.300 0.038 -4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.477 2.832 -4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.389 1.422 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.183 3.219 -5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.175 0.598 -7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.163 3.351 -7.859 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.157 0.720 -9.373 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.150 2.100 -9.737 1.00 0.00 H new ATOM 630 N VAL A 41 3.795 -0.650 -2.520 1.00 0.00 N ATOM 631 CA VAL A 41 4.670 -1.100 -1.446 1.00 0.00 C ATOM 632 C VAL A 41 5.833 -1.899 -2.027 1.00 0.00 C ATOM 633 O VAL A 41 5.699 -3.094 -2.299 1.00 0.00 O ATOM 634 CB VAL A 41 3.919 -1.970 -0.414 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.821 -2.291 0.770 1.00 0.00 C ATOM 636 CG2 VAL A 41 2.643 -1.282 0.049 1.00 0.00 C ATOM 0 H VAL A 41 3.443 -1.398 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 41 5.040 -0.213 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 41 3.639 -2.907 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.276 -2.905 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.699 -2.834 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.135 -1.364 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.132 -1.914 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.892 -0.327 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.990 -1.112 -0.807 1.00 0.00 H new ATOM 646 N PRO A 42 6.975 -1.241 -2.260 1.00 0.00 N ATOM 647 CA PRO A 42 8.148 -1.875 -2.869 1.00 0.00 C ATOM 648 C PRO A 42 8.798 -2.919 -1.965 1.00 0.00 C ATOM 649 O PRO A 42 9.200 -2.623 -0.838 1.00 0.00 O ATOM 650 CB PRO A 42 9.102 -0.704 -3.117 1.00 0.00 C ATOM 651 CG PRO A 42 8.696 0.336 -2.133 1.00 0.00 C ATOM 652 CD PRO A 42 7.212 0.181 -1.953 1.00 0.00 C ATOM 0 HA PRO A 42 7.882 -2.424 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.140 -1.002 -2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.017 -0.335 -4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.220 0.203 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.943 1.334 -2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.903 0.429 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.656 0.835 -2.625 1.00 0.00 H new ATOM 660 N GLY A 43 8.891 -4.142 -2.463 1.00 0.00 N ATOM 661 CA GLY A 43 9.538 -5.197 -1.715 1.00 0.00 C ATOM 662 C GLY A 43 8.558 -6.238 -1.225 1.00 0.00 C ATOM 663 O GLY A 43 8.787 -6.892 -0.205 1.00 0.00 O ATOM 0 H GLY A 43 8.529 -4.423 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.289 -5.676 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.063 -4.766 -0.863 1.00 0.00 H new ATOM 667 N THR A 44 7.465 -6.399 -1.950 1.00 0.00 N ATOM 668 CA THR A 44 6.446 -7.360 -1.576 1.00 0.00 C ATOM 669 C THR A 44 6.262 -8.416 -2.657 1.00 0.00 C ATOM 670 O THR A 44 6.725 -8.254 -3.788 1.00 0.00 O ATOM 671 CB THR A 44 5.104 -6.664 -1.302 1.00 0.00 C ATOM 672 OG1 THR A 44 4.809 -5.733 -2.354 1.00 0.00 O ATOM 673 CG2 THR A 44 5.122 -5.948 0.041 1.00 0.00 C ATOM 0 H THR A 44 7.262 -5.876 -2.801 1.00 0.00 H new ATOM 0 HA THR A 44 6.783 -7.849 -0.662 1.00 0.00 H new ATOM 0 HB THR A 44 4.326 -7.426 -1.269 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.210 -4.864 -2.143 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.160 -5.464 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.308 -6.670 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.911 -5.196 0.042 1.00 0.00 H new ATOM 681 N LYS A 45 5.606 -9.505 -2.293 1.00 0.00 N ATOM 682 CA LYS A 45 5.317 -10.575 -3.229 1.00 0.00 C ATOM 683 C LYS A 45 3.808 -10.711 -3.408 1.00 0.00 C ATOM 684 O LYS A 45 3.035 -10.187 -2.607 1.00 0.00 O ATOM 685 CB LYS A 45 5.900 -11.894 -2.714 1.00 0.00 C ATOM 686 CG LYS A 45 6.299 -12.860 -3.816 1.00 0.00 C ATOM 687 CD LYS A 45 7.487 -12.323 -4.605 1.00 0.00 C ATOM 688 CE LYS A 45 7.989 -13.321 -5.636 1.00 0.00 C ATOM 689 NZ LYS A 45 6.989 -13.563 -6.704 1.00 0.00 N ATOM 0 H LYS A 45 5.262 -9.671 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 45 5.772 -10.338 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.774 -11.679 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.167 -12.377 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.552 -13.828 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.455 -13.022 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.200 -11.398 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.296 -12.075 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.912 -12.950 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.229 -14.263 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.395 -14.196 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.142 -14.004 -6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.728 -12.659 -7.147 1.00 0.00 H new ATOM 703 N VAL A 46 3.385 -11.406 -4.455 1.00 0.00 N ATOM 704 CA VAL A 46 1.967 -11.641 -4.674 1.00 0.00 C ATOM 705 C VAL A 46 1.400 -12.509 -3.556 1.00 0.00 C ATOM 706 O VAL A 46 1.866 -13.628 -3.328 1.00 0.00 O ATOM 707 CB VAL A 46 1.703 -12.312 -6.038 1.00 0.00 C ATOM 708 CG1 VAL A 46 0.218 -12.548 -6.250 1.00 0.00 C ATOM 709 CG2 VAL A 46 2.270 -11.465 -7.165 1.00 0.00 C ATOM 0 H VAL A 46 3.999 -11.814 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 46 1.469 -10.671 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 46 2.205 -13.280 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.060 -13.022 -7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.163 -13.197 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.310 -11.595 -6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.075 -11.953 -8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.797 -10.483 -7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.345 -11.351 -7.029 1.00 0.00 H new ATOM 719 N GLY A 47 0.418 -11.980 -2.848 1.00 0.00 N ATOM 720 CA GLY A 47 -0.168 -12.702 -1.740 1.00 0.00 C ATOM 721 C GLY A 47 0.484 -12.344 -0.421 1.00 0.00 C ATOM 722 O GLY A 47 0.206 -12.970 0.602 1.00 0.00 O ATOM 0 H GLY A 47 0.014 -11.060 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.235 -12.483 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.070 -13.774 -1.914 1.00 0.00 H new ATOM 726 N ASP A 48 1.367 -11.349 -0.444 1.00 0.00 N ATOM 727 CA ASP A 48 2.010 -10.872 0.777 1.00 0.00 C ATOM 728 C ASP A 48 1.005 -10.161 1.668 1.00 0.00 C ATOM 729 O ASP A 48 0.551 -9.062 1.352 1.00 0.00 O ATOM 730 CB ASP A 48 3.165 -9.920 0.460 1.00 0.00 C ATOM 731 CG ASP A 48 4.510 -10.455 0.915 1.00 0.00 C ATOM 732 OD1 ASP A 48 4.544 -11.298 1.837 1.00 0.00 O ATOM 733 OD2 ASP A 48 5.539 -10.038 0.344 1.00 0.00 O ATOM 0 H ASP A 48 1.653 -10.859 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 48 2.406 -11.743 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.196 -9.739 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.980 -8.959 0.940 1.00 0.00 H new ATOM 738 N GLU A 49 0.642 -10.802 2.762 1.00 0.00 N ATOM 739 CA GLU A 49 -0.238 -10.200 3.748 1.00 0.00 C ATOM 740 C GLU A 49 0.604 -9.514 4.811 1.00 0.00 C ATOM 741 O GLU A 49 1.153 -10.167 5.701 1.00 0.00 O ATOM 742 CB GLU A 49 -1.141 -11.260 4.379 1.00 0.00 C ATOM 743 CG GLU A 49 -2.111 -10.705 5.408 1.00 0.00 C ATOM 744 CD GLU A 49 -2.902 -11.793 6.096 1.00 0.00 C ATOM 745 OE1 GLU A 49 -2.327 -12.502 6.946 1.00 0.00 O ATOM 746 OE2 GLU A 49 -4.103 -11.948 5.789 1.00 0.00 O ATOM 0 H GLU A 49 0.945 -11.748 2.993 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.877 -9.463 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.707 -11.758 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.518 -12.019 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.558 -10.134 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.797 -10.013 4.921 1.00 0.00 H new ATOM 753 N VAL A 50 0.730 -8.203 4.704 1.00 0.00 N ATOM 754 CA VAL A 50 1.635 -7.457 5.562 1.00 0.00 C ATOM 755 C VAL A 50 0.999 -6.180 6.094 1.00 0.00 C ATOM 756 O VAL A 50 0.013 -5.682 5.549 1.00 0.00 O ATOM 757 CB VAL A 50 2.940 -7.086 4.819 1.00 0.00 C ATOM 758 CG1 VAL A 50 3.773 -8.325 4.535 1.00 0.00 C ATOM 759 CG2 VAL A 50 2.628 -6.344 3.525 1.00 0.00 C ATOM 0 H VAL A 50 0.217 -7.633 4.032 1.00 0.00 H new ATOM 0 HA VAL A 50 1.864 -8.114 6.401 1.00 0.00 H new ATOM 0 HB VAL A 50 3.521 -6.426 5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.685 -8.038 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.032 -8.813 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.200 -9.014 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.559 -6.092 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.022 -6.979 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.080 -5.430 3.753 1.00 0.00 H new ATOM 769 N ARG A 51 1.568 -5.667 7.173 1.00 0.00 N ATOM 770 CA ARG A 51 1.187 -4.369 7.700 1.00 0.00 C ATOM 771 C ARG A 51 2.075 -3.294 7.094 1.00 0.00 C ATOM 772 O ARG A 51 3.302 -3.325 7.246 1.00 0.00 O ATOM 773 CB ARG A 51 1.303 -4.354 9.222 1.00 0.00 C ATOM 774 CG ARG A 51 0.161 -5.057 9.937 1.00 0.00 C ATOM 775 CD ARG A 51 0.439 -5.204 11.425 1.00 0.00 C ATOM 776 NE ARG A 51 0.950 -3.971 12.020 1.00 0.00 N ATOM 777 CZ ARG A 51 0.402 -3.352 13.063 1.00 0.00 C ATOM 778 NH1 ARG A 51 -0.721 -3.812 13.606 1.00 0.00 N ATOM 779 NH2 ARG A 51 0.983 -2.271 13.569 1.00 0.00 N ATOM 0 H ARG A 51 2.302 -6.136 7.704 1.00 0.00 H new ATOM 0 HA ARG A 51 0.149 -4.170 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.243 -4.826 9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.349 -3.319 9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.761 -4.494 9.792 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.006 -6.042 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.478 -5.498 11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.161 -6.006 11.580 1.00 0.00 H new ATOM 0 HE ARG A 51 1.785 -3.556 11.607 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.169 -4.645 13.223 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.135 -3.332 14.405 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.847 -1.917 13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.565 -1.794 14.368 1.00 0.00 H new ATOM 793 N ILE A 52 1.460 -2.359 6.395 1.00 0.00 N ATOM 794 CA ILE A 52 2.202 -1.333 5.686 1.00 0.00 C ATOM 795 C ILE A 52 2.053 0.027 6.353 1.00 0.00 C ATOM 796 O ILE A 52 0.973 0.396 6.822 1.00 0.00 O ATOM 797 CB ILE A 52 1.761 -1.220 4.211 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.270 -0.871 4.117 1.00 0.00 C ATOM 799 CG2 ILE A 52 2.063 -2.517 3.474 1.00 0.00 C ATOM 800 CD1 ILE A 52 -0.201 -0.574 2.710 1.00 0.00 C ATOM 0 H ILE A 52 0.447 -2.288 6.303 1.00 0.00 H new ATOM 0 HA ILE A 52 3.248 -1.637 5.720 1.00 0.00 H new ATOM 0 HB ILE A 52 2.324 -0.415 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.313 -1.700 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.069 -0.005 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.748 -2.427 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.134 -2.717 3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.524 -3.338 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.265 -0.336 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.355 0.275 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.033 -1.446 2.078 1.00 0.00 H new ATOM 812 N LYS A 53 3.151 0.752 6.404 1.00 0.00 N ATOM 813 CA LYS A 53 3.154 2.116 6.883 1.00 0.00 C ATOM 814 C LYS A 53 3.138 3.048 5.685 1.00 0.00 C ATOM 815 O LYS A 53 4.136 3.168 4.972 1.00 0.00 O ATOM 816 CB LYS A 53 4.397 2.371 7.742 1.00 0.00 C ATOM 817 CG LYS A 53 4.504 3.779 8.317 1.00 0.00 C ATOM 818 CD LYS A 53 3.457 4.044 9.390 1.00 0.00 C ATOM 819 CE LYS A 53 3.784 5.298 10.179 1.00 0.00 C ATOM 820 NZ LYS A 53 2.899 5.465 11.360 1.00 0.00 N ATOM 0 H LYS A 53 4.067 0.410 6.114 1.00 0.00 H new ATOM 0 HA LYS A 53 2.274 2.296 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.404 1.657 8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.284 2.172 7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.499 3.922 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.391 4.507 7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.476 4.148 8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.401 3.190 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.822 5.258 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.689 6.169 9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.159 6.334 11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.910 5.530 11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.008 4.648 11.994 1.00 0.00 H new ATOM 834 N VAL A 54 1.996 3.666 5.434 1.00 0.00 N ATOM 835 CA VAL A 54 1.864 4.586 4.319 1.00 0.00 C ATOM 836 C VAL A 54 2.685 5.824 4.605 1.00 0.00 C ATOM 837 O VAL A 54 2.383 6.562 5.537 1.00 0.00 O ATOM 838 CB VAL A 54 0.395 4.987 4.068 1.00 0.00 C ATOM 839 CG1 VAL A 54 0.287 5.938 2.884 1.00 0.00 C ATOM 840 CG2 VAL A 54 -0.460 3.753 3.836 1.00 0.00 C ATOM 0 H VAL A 54 1.148 3.547 5.988 1.00 0.00 H new ATOM 0 HA VAL A 54 2.224 4.084 3.421 1.00 0.00 H new ATOM 0 HB VAL A 54 0.028 5.504 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.758 6.206 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.866 6.839 3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.675 5.451 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.493 4.054 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.088 3.210 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.414 3.108 4.714 1.00 0.00 H new ATOM 850 N GLU A 55 3.731 6.026 3.820 1.00 0.00 N ATOM 851 CA GLU A 55 4.665 7.112 4.055 1.00 0.00 C ATOM 852 C GLU A 55 4.239 8.365 3.308 1.00 0.00 C ATOM 853 O GLU A 55 4.386 9.474 3.816 1.00 0.00 O ATOM 854 CB GLU A 55 6.075 6.692 3.630 1.00 0.00 C ATOM 855 CG GLU A 55 6.584 5.470 4.377 1.00 0.00 C ATOM 856 CD GLU A 55 7.962 5.036 3.930 1.00 0.00 C ATOM 857 OE1 GLU A 55 8.958 5.632 4.389 1.00 0.00 O ATOM 858 OE2 GLU A 55 8.058 4.091 3.127 1.00 0.00 O ATOM 0 H GLU A 55 3.954 5.447 3.010 1.00 0.00 H new ATOM 0 HA GLU A 55 4.668 7.339 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.079 6.484 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.761 7.523 3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.606 5.687 5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.885 4.646 4.233 1.00 0.00 H new ATOM 865 N ARG A 56 3.706 8.184 2.106 1.00 0.00 N ATOM 866 CA ARG A 56 3.269 9.310 1.288 1.00 0.00 C ATOM 867 C ARG A 56 2.005 8.975 0.515 1.00 0.00 C ATOM 868 O ARG A 56 1.716 7.807 0.247 1.00 0.00 O ATOM 869 CB ARG A 56 4.354 9.729 0.294 1.00 0.00 C ATOM 870 CG ARG A 56 5.555 10.403 0.930 1.00 0.00 C ATOM 871 CD ARG A 56 6.506 10.938 -0.125 1.00 0.00 C ATOM 872 NE ARG A 56 5.888 11.970 -0.959 1.00 0.00 N ATOM 873 CZ ARG A 56 6.290 12.268 -2.198 1.00 0.00 C ATOM 874 NH1 ARG A 56 7.237 11.545 -2.782 1.00 0.00 N ATOM 875 NH2 ARG A 56 5.725 13.269 -2.861 1.00 0.00 N ATOM 0 H ARG A 56 3.566 7.270 1.676 1.00 0.00 H new ATOM 0 HA ARG A 56 3.067 10.133 1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.692 8.847 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.917 10.407 -0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.221 11.220 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.079 9.692 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.391 11.349 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.843 10.117 -0.757 1.00 0.00 H new ATOM 0 HE ARG A 56 5.103 12.493 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.659 10.761 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.543 11.774 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.981 13.814 -2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.035 13.493 -3.807 1.00 0.00 H new ATOM 889 N VAL A 57 1.266 10.012 0.161 1.00 0.00 N ATOM 890 CA VAL A 57 0.083 9.875 -0.676 1.00 0.00 C ATOM 891 C VAL A 57 0.187 10.803 -1.880 1.00 0.00 C ATOM 892 O VAL A 57 0.421 12.005 -1.731 1.00 0.00 O ATOM 893 CB VAL A 57 -1.214 10.177 0.113 1.00 0.00 C ATOM 894 CG1 VAL A 57 -2.417 10.273 -0.818 1.00 0.00 C ATOM 895 CG2 VAL A 57 -1.453 9.104 1.165 1.00 0.00 C ATOM 0 H VAL A 57 1.467 10.971 0.444 1.00 0.00 H new ATOM 0 HA VAL A 57 0.033 8.840 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.089 11.141 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.313 10.486 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.255 11.074 -1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.544 9.328 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.368 9.329 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.550 8.133 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.612 9.080 1.858 1.00 0.00 H new ATOM 905 N LEU A 58 0.046 10.237 -3.067 1.00 0.00 N ATOM 906 CA LEU A 58 0.119 11.004 -4.299 1.00 0.00 C ATOM 907 C LEU A 58 -1.246 10.997 -4.992 1.00 0.00 C ATOM 908 O LEU A 58 -2.086 10.158 -4.675 1.00 0.00 O ATOM 909 CB LEU A 58 1.215 10.442 -5.223 1.00 0.00 C ATOM 910 CG LEU A 58 2.650 10.562 -4.688 1.00 0.00 C ATOM 911 CD1 LEU A 58 2.979 9.422 -3.731 1.00 0.00 C ATOM 912 CD2 LEU A 58 3.649 10.609 -5.834 1.00 0.00 C ATOM 0 H LEU A 58 -0.121 9.240 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 58 0.383 12.035 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.003 9.390 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.158 10.957 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 58 2.722 11.496 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.001 9.534 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.290 9.446 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.881 8.470 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.659 10.694 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.569 9.696 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.436 11.470 -6.467 1.00 0.00 H new ATOM 924 N PRO A 59 -1.477 11.937 -5.934 1.00 0.00 N ATOM 925 CA PRO A 59 -2.776 12.143 -6.604 1.00 0.00 C ATOM 926 C PRO A 59 -3.579 10.870 -6.904 1.00 0.00 C ATOM 927 O PRO A 59 -4.792 10.836 -6.683 1.00 0.00 O ATOM 928 CB PRO A 59 -2.364 12.818 -7.904 1.00 0.00 C ATOM 929 CG PRO A 59 -1.186 13.649 -7.532 1.00 0.00 C ATOM 930 CD PRO A 59 -0.476 12.914 -6.423 1.00 0.00 C ATOM 0 HA PRO A 59 -3.452 12.709 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.108 12.085 -8.669 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.171 13.430 -8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.526 13.791 -8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.499 14.640 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.422 12.415 -6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.164 13.594 -5.631 1.00 0.00 H new ATOM 938 N LYS A 60 -2.923 9.832 -7.413 1.00 0.00 N ATOM 939 CA LYS A 60 -3.646 8.628 -7.816 1.00 0.00 C ATOM 940 C LYS A 60 -3.020 7.353 -7.256 1.00 0.00 C ATOM 941 O LYS A 60 -3.360 6.253 -7.690 1.00 0.00 O ATOM 942 CB LYS A 60 -3.729 8.536 -9.343 1.00 0.00 C ATOM 943 CG LYS A 60 -2.376 8.542 -10.039 1.00 0.00 C ATOM 944 CD LYS A 60 -2.490 8.250 -11.534 1.00 0.00 C ATOM 945 CE LYS A 60 -3.036 9.430 -12.336 1.00 0.00 C ATOM 946 NZ LYS A 60 -4.461 9.731 -12.034 1.00 0.00 N ATOM 0 H LYS A 60 -1.914 9.797 -7.555 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.649 8.712 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.261 7.624 -9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.321 9.372 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.901 9.513 -9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.728 7.799 -9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.508 7.979 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.140 7.387 -11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.432 10.313 -12.128 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.933 9.217 -13.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.951 10.006 -12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.917 8.887 -11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.513 10.511 -11.349 1.00 0.00 H new ATOM 960 N PHE A 61 -2.133 7.490 -6.277 1.00 0.00 N ATOM 961 CA PHE A 61 -1.478 6.324 -5.688 1.00 0.00 C ATOM 962 C PHE A 61 -0.714 6.701 -4.425 1.00 0.00 C ATOM 963 O PHE A 61 -0.226 7.819 -4.293 1.00 0.00 O ATOM 964 CB PHE A 61 -0.532 5.648 -6.693 1.00 0.00 C ATOM 965 CG PHE A 61 0.622 6.498 -7.153 1.00 0.00 C ATOM 966 CD1 PHE A 61 0.463 7.407 -8.186 1.00 0.00 C ATOM 967 CD2 PHE A 61 1.872 6.371 -6.564 1.00 0.00 C ATOM 968 CE1 PHE A 61 1.522 8.179 -8.618 1.00 0.00 C ATOM 969 CE2 PHE A 61 2.937 7.138 -6.995 1.00 0.00 C ATOM 970 CZ PHE A 61 2.762 8.043 -8.025 1.00 0.00 C ATOM 0 H PHE A 61 -1.852 8.385 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.261 5.615 -5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.136 4.739 -6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.110 5.344 -7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.502 7.513 -8.659 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.014 5.665 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.381 8.889 -9.419 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.905 7.031 -6.528 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.593 8.643 -8.365 1.00 0.00 H new ATOM 980 N ALA A 62 -0.622 5.762 -3.499 1.00 0.00 N ATOM 981 CA ALA A 62 0.095 5.986 -2.253 1.00 0.00 C ATOM 982 C ALA A 62 1.412 5.221 -2.246 1.00 0.00 C ATOM 983 O ALA A 62 1.627 4.333 -3.069 1.00 0.00 O ATOM 984 CB ALA A 62 -0.760 5.574 -1.063 1.00 0.00 C ATOM 0 H ALA A 62 -1.036 4.834 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 62 0.313 7.051 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.207 5.749 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.678 6.162 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.008 4.516 -1.142 1.00 0.00 H new ATOM 990 N PHE A 63 2.282 5.569 -1.315 1.00 0.00 N ATOM 991 CA PHE A 63 3.573 4.914 -1.186 1.00 0.00 C ATOM 992 C PHE A 63 3.769 4.454 0.254 1.00 0.00 C ATOM 993 O PHE A 63 3.705 5.263 1.182 1.00 0.00 O ATOM 994 CB PHE A 63 4.692 5.873 -1.602 1.00 0.00 C ATOM 995 CG PHE A 63 6.056 5.248 -1.622 1.00 0.00 C ATOM 996 CD1 PHE A 63 6.415 4.375 -2.636 1.00 0.00 C ATOM 997 CD2 PHE A 63 6.980 5.539 -0.633 1.00 0.00 C ATOM 998 CE1 PHE A 63 7.674 3.805 -2.663 1.00 0.00 C ATOM 999 CE2 PHE A 63 8.238 4.971 -0.653 1.00 0.00 C ATOM 1000 CZ PHE A 63 8.586 4.103 -1.669 1.00 0.00 C ATOM 0 H PHE A 63 2.116 6.308 -0.631 1.00 0.00 H new ATOM 0 HA PHE A 63 3.605 4.044 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.469 6.266 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.702 6.721 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.704 4.137 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.714 6.218 0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.944 3.128 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.949 5.205 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.570 3.658 -1.687 1.00 0.00 H new ATOM 1010 N ALA A 64 3.990 3.160 0.440 1.00 0.00 N ATOM 1011 CA ALA A 64 4.107 2.590 1.776 1.00 0.00 C ATOM 1012 C ALA A 64 5.212 1.544 1.842 1.00 0.00 C ATOM 1013 O ALA A 64 5.687 1.063 0.814 1.00 0.00 O ATOM 1014 CB ALA A 64 2.779 1.976 2.197 1.00 0.00 C ATOM 0 H ALA A 64 4.092 2.484 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 64 4.368 3.395 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.875 1.552 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.007 2.746 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.503 1.190 1.494 1.00 0.00 H new ATOM 1020 N SER A 65 5.613 1.204 3.058 1.00 0.00 N ATOM 1021 CA SER A 65 6.608 0.169 3.284 1.00 0.00 C ATOM 1022 C SER A 65 6.152 -0.773 4.396 1.00 0.00 C ATOM 1023 O SER A 65 5.299 -0.418 5.216 1.00 0.00 O ATOM 1024 CB SER A 65 7.955 0.807 3.632 1.00 0.00 C ATOM 1025 OG SER A 65 7.801 1.837 4.594 1.00 0.00 O ATOM 0 H SER A 65 5.259 1.636 3.911 1.00 0.00 H new ATOM 0 HA SER A 65 6.726 -0.415 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.633 0.045 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.412 1.214 2.730 1.00 0.00 H new ATOM 0 HG SER A 65 8.022 2.701 4.187 1.00 0.00 H new ATOM 1031 N VAL A 66 6.713 -1.975 4.421 1.00 0.00 N ATOM 1032 CA VAL A 66 6.326 -2.978 5.402 1.00 0.00 C ATOM 1033 C VAL A 66 7.081 -2.763 6.709 1.00 0.00 C ATOM 1034 O VAL A 66 8.308 -2.876 6.755 1.00 0.00 O ATOM 1035 CB VAL A 66 6.595 -4.409 4.889 1.00 0.00 C ATOM 1036 CG1 VAL A 66 6.126 -5.443 5.901 1.00 0.00 C ATOM 1037 CG2 VAL A 66 5.922 -4.634 3.542 1.00 0.00 C ATOM 0 H VAL A 66 7.439 -2.279 3.772 1.00 0.00 H new ATOM 0 HA VAL A 66 5.255 -2.867 5.573 1.00 0.00 H new ATOM 0 HB VAL A 66 7.671 -4.525 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.326 -6.444 5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.660 -5.301 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.056 -5.327 6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.125 -5.649 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.846 -4.494 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.313 -3.921 2.816 1.00 0.00 H new ATOM 1047 N VAL A 67 6.353 -2.441 7.766 1.00 0.00 N ATOM 1048 CA VAL A 67 6.972 -2.197 9.062 1.00 0.00 C ATOM 1049 C VAL A 67 6.479 -3.191 10.093 1.00 0.00 C ATOM 1050 O VAL A 67 6.863 -3.136 11.262 1.00 0.00 O ATOM 1051 CB VAL A 67 6.693 -0.766 9.566 1.00 0.00 C ATOM 1052 CG1 VAL A 67 7.236 0.258 8.582 1.00 0.00 C ATOM 1053 CG2 VAL A 67 5.196 -0.559 9.802 1.00 0.00 C ATOM 0 H VAL A 67 5.338 -2.342 7.754 1.00 0.00 H new ATOM 0 HA VAL A 67 8.047 -2.317 8.926 1.00 0.00 H new ATOM 0 HB VAL A 67 7.205 -0.628 10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.031 1.263 8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.312 0.124 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.754 0.123 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.021 0.456 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.655 -0.715 8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.844 -1.270 10.549 1.00 0.00 H new ATOM 1063 N GLU A 68 5.658 -4.112 9.625 1.00 0.00 N ATOM 1064 CA GLU A 68 4.982 -5.074 10.485 1.00 0.00 C ATOM 1065 C GLU A 68 4.245 -4.332 11.606 1.00 0.00 C ATOM 1066 O GLU A 68 3.394 -3.482 11.284 1.00 0.00 O ATOM 1067 CB GLU A 68 5.987 -6.078 11.063 1.00 0.00 C ATOM 1068 CG GLU A 68 5.348 -7.311 11.682 1.00 0.00 C ATOM 1069 CD GLU A 68 6.359 -8.199 12.370 1.00 0.00 C ATOM 1070 OE1 GLU A 68 7.205 -8.801 11.672 1.00 0.00 O ATOM 1071 OE2 GLU A 68 6.325 -8.291 13.613 1.00 0.00 O ATOM 1072 OXT GLU A 68 4.515 -4.599 12.795 1.00 0.00 O ATOM 0 H GLU A 68 5.438 -4.217 8.635 1.00 0.00 H new ATOM 0 HA GLU A 68 4.255 -5.632 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.666 -6.393 10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.591 -5.577 11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.590 -7.002 12.402 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.837 -7.880 10.906 1.00 0.00 H new