USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -6.72! C(o=-6.7!,f=-7.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -165:sc= -3.52! (180deg=-4.2!) USER MOD Single : A 43 MET CE :methyl -153:sc= -0.232 (180deg=-0.418) USER MOD Single : A 49 ASN : amide:sc= -0.215 K(o=-0.21,f=-3.3!) USER MOD Single : A 51 HIS : no HD1:sc= -1.99! K(o=-2!,f=-0.87) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.99 K(o=-0.99,f=-2.5) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.434 -17.356 15.721 1.00 0.00 N ATOM 177 CA VAL A 15 -0.379 -15.906 15.862 1.00 0.00 C ATOM 178 C VAL A 15 0.214 -15.254 14.618 1.00 0.00 C ATOM 179 O VAL A 15 1.201 -15.725 14.053 1.00 0.00 O ATOM 180 CB VAL A 15 0.452 -15.492 17.091 1.00 0.00 C ATOM 181 CG1 VAL A 15 1.881 -15.994 16.963 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.423 -13.982 17.269 1.00 0.00 C ATOM 0 HA VAL A 15 -1.405 -15.563 15.994 1.00 0.00 H new ATOM 0 HB VAL A 15 0.010 -15.948 17.977 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.453 -15.692 17.840 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.879 -17.081 16.888 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.337 -15.569 16.069 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.015 -13.707 18.142 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.839 -13.503 16.383 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.606 -13.652 17.410 1.00 0.00 H new ATOM 192 N PRO A 16 -0.401 -14.146 14.180 1.00 0.00 N ATOM 193 CA PRO A 16 0.050 -13.405 12.998 1.00 0.00 C ATOM 194 C PRO A 16 1.379 -12.695 13.232 1.00 0.00 C ATOM 195 O PRO A 16 1.995 -12.839 14.289 1.00 0.00 O ATOM 196 CB PRO A 16 -1.068 -12.386 12.771 1.00 0.00 C ATOM 197 CG PRO A 16 -1.691 -12.200 14.111 1.00 0.00 C ATOM 198 CD PRO A 16 -1.583 -13.529 14.805 1.00 0.00 C ATOM 0 HA PRO A 16 0.225 -14.062 12.146 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.674 -11.446 12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.794 -12.751 12.044 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.177 -11.422 14.676 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.732 -11.892 14.018 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.453 -13.411 15.881 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.478 -14.134 14.656 1.00 0.00 H new ATOM 206 N VAL A 17 1.817 -11.927 12.239 1.00 0.00 N ATOM 207 CA VAL A 17 3.072 -11.192 12.337 1.00 0.00 C ATOM 208 C VAL A 17 2.968 -9.832 11.658 1.00 0.00 C ATOM 209 O VAL A 17 2.112 -9.618 10.798 1.00 0.00 O ATOM 210 CB VAL A 17 4.236 -11.981 11.706 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.686 -13.101 12.631 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.829 -12.531 10.348 1.00 0.00 C ATOM 0 H VAL A 17 1.321 -11.798 11.357 1.00 0.00 H new ATOM 0 HA VAL A 17 3.272 -11.050 13.399 1.00 0.00 H new ATOM 0 HB VAL A 17 5.077 -11.303 11.562 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.508 -13.647 12.168 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.019 -12.678 13.579 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.854 -13.782 12.810 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.662 -13.086 9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.973 -13.195 10.466 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.560 -11.707 9.687 1.00 0.00 H new ATOM 222 N THR A 18 3.845 -8.912 12.049 1.00 0.00 N ATOM 223 CA THR A 18 3.851 -7.570 11.480 1.00 0.00 C ATOM 224 C THR A 18 4.902 -7.444 10.382 1.00 0.00 C ATOM 225 O THR A 18 6.056 -7.834 10.568 1.00 0.00 O ATOM 226 CB THR A 18 4.119 -6.503 12.557 1.00 0.00 C ATOM 227 OG1 THR A 18 3.183 -6.645 13.631 1.00 0.00 O ATOM 228 CG2 THR A 18 4.018 -5.103 11.969 1.00 0.00 C ATOM 0 H THR A 18 4.561 -9.072 12.758 1.00 0.00 H new ATOM 0 HA THR A 18 2.862 -7.403 11.054 1.00 0.00 H new ATOM 0 HB THR A 18 5.130 -6.647 12.937 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.361 -5.964 14.313 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.211 -4.366 12.749 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.753 -4.989 11.172 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.017 -4.950 11.565 1.00 0.00 H new ATOM 236 N ILE A 19 4.496 -6.898 9.241 1.00 0.00 N ATOM 237 CA ILE A 19 5.405 -6.719 8.115 1.00 0.00 C ATOM 238 C ILE A 19 5.627 -5.240 7.817 1.00 0.00 C ATOM 239 O ILE A 19 5.101 -4.371 8.512 1.00 0.00 O ATOM 240 CB ILE A 19 4.873 -7.412 6.847 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.489 -6.870 6.485 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.821 -8.919 7.050 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.137 -7.038 5.024 1.00 0.00 C ATOM 0 H ILE A 19 3.544 -6.572 9.072 1.00 0.00 H new ATOM 0 HA ILE A 19 6.353 -7.176 8.399 1.00 0.00 H new ATOM 0 HB ILE A 19 5.553 -7.199 6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.739 -7.378 7.092 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.444 -5.812 6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.443 -9.395 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.822 -9.292 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.160 -9.151 7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.142 -6.631 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.865 -6.507 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.149 -8.097 4.766 1.00 0.00 H new ATOM 255 N GLU A 20 6.408 -4.962 6.778 1.00 0.00 N ATOM 256 CA GLU A 20 6.698 -3.587 6.387 1.00 0.00 C ATOM 257 C GLU A 20 6.469 -3.387 4.893 1.00 0.00 C ATOM 258 O GLU A 20 6.942 -4.172 4.070 1.00 0.00 O ATOM 259 CB GLU A 20 8.140 -3.225 6.748 1.00 0.00 C ATOM 260 CG GLU A 20 8.302 -2.710 8.169 1.00 0.00 C ATOM 261 CD GLU A 20 9.742 -2.380 8.509 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.640 -3.139 8.087 1.00 0.00 O ATOM 263 OE2 GLU A 20 9.971 -1.362 9.195 1.00 0.00 O ATOM 0 H GLU A 20 6.851 -5.670 6.192 1.00 0.00 H new ATOM 0 HA GLU A 20 6.020 -2.930 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.770 -4.104 6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.500 -2.467 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.688 -1.819 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.930 -3.459 8.868 1.00 0.00 H new ATOM 270 N VAL A 21 5.741 -2.329 4.547 1.00 0.00 N ATOM 271 CA VAL A 21 5.451 -2.023 3.151 1.00 0.00 C ATOM 272 C VAL A 21 5.885 -0.606 2.796 1.00 0.00 C ATOM 273 O VAL A 21 5.512 0.354 3.469 1.00 0.00 O ATOM 274 CB VAL A 21 3.950 -2.182 2.844 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.716 -2.241 1.342 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.393 -3.421 3.528 1.00 0.00 C ATOM 0 H VAL A 21 5.341 -1.670 5.215 1.00 0.00 H new ATOM 0 HA VAL A 21 6.016 -2.733 2.547 1.00 0.00 H new ATOM 0 HB VAL A 21 3.423 -1.312 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.650 -2.353 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.076 -1.321 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.255 -3.091 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.332 -3.517 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.922 -4.304 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.525 -3.332 4.606 1.00 0.00 H new ATOM 286 N GLU A 22 6.676 -0.484 1.735 1.00 0.00 N ATOM 287 CA GLU A 22 7.161 0.818 1.292 1.00 0.00 C ATOM 288 C GLU A 22 6.054 1.603 0.596 1.00 0.00 C ATOM 289 O GLU A 22 5.625 1.252 -0.504 1.00 0.00 O ATOM 290 CB GLU A 22 8.352 0.647 0.346 1.00 0.00 C ATOM 291 CG GLU A 22 9.644 0.277 1.054 1.00 0.00 C ATOM 292 CD GLU A 22 10.589 -0.514 0.171 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.246 -1.660 -0.188 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.670 0.014 -0.163 1.00 0.00 O ATOM 0 H GLU A 22 6.994 -1.269 1.167 1.00 0.00 H new ATOM 0 HA GLU A 22 7.481 1.377 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.115 -0.125 -0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.503 1.575 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.143 1.186 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.411 -0.307 1.945 1.00 0.00 H new ATOM 301 N VAL A 23 5.594 2.668 1.244 1.00 0.00 N ATOM 302 CA VAL A 23 4.536 3.504 0.689 1.00 0.00 C ATOM 303 C VAL A 23 4.732 4.966 1.075 1.00 0.00 C ATOM 304 O VAL A 23 4.948 5.303 2.239 1.00 0.00 O ATOM 305 CB VAL A 23 3.146 3.041 1.165 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.070 4.001 0.681 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.865 1.625 0.685 1.00 0.00 C ATOM 0 H VAL A 23 5.938 2.973 2.155 1.00 0.00 H new ATOM 0 HA VAL A 23 4.591 3.406 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 23 3.134 3.040 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.095 3.658 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.266 4.997 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.077 4.036 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.879 1.313 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.894 1.598 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.620 0.949 1.085 1.00 0.00 H new ATOM 317 N PRO A 24 4.655 5.857 0.075 1.00 0.00 N ATOM 318 CA PRO A 24 4.820 7.298 0.285 1.00 0.00 C ATOM 319 C PRO A 24 3.652 7.910 1.051 1.00 0.00 C ATOM 320 O PRO A 24 2.490 7.668 0.727 1.00 0.00 O ATOM 321 CB PRO A 24 4.878 7.859 -1.138 1.00 0.00 C ATOM 322 CG PRO A 24 4.140 6.866 -1.968 1.00 0.00 C ATOM 323 CD PRO A 24 4.400 5.526 -1.337 1.00 0.00 C ATOM 0 HA PRO A 24 5.702 7.524 0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.415 8.844 -1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.908 7.971 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.073 7.088 -1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.488 6.885 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.545 4.858 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.255 5.026 -1.793 1.00 0.00 H new ATOM 331 N PHE A 25 3.970 8.704 2.069 1.00 0.00 N ATOM 332 CA PHE A 25 2.946 9.351 2.882 1.00 0.00 C ATOM 333 C PHE A 25 2.008 10.185 2.014 1.00 0.00 C ATOM 334 O PHE A 25 0.883 10.488 2.411 1.00 0.00 O ATOM 335 CB PHE A 25 3.595 10.236 3.948 1.00 0.00 C ATOM 336 CG PHE A 25 2.636 10.701 5.005 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.720 11.705 4.736 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.650 10.135 6.271 1.00 0.00 C ATOM 339 CE1 PHE A 25 0.835 12.136 5.707 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.768 10.561 7.245 1.00 0.00 C ATOM 341 CZ PHE A 25 0.860 11.564 6.963 1.00 0.00 C ATOM 0 H PHE A 25 4.928 8.915 2.350 1.00 0.00 H new ATOM 0 HA PHE A 25 2.362 8.572 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.406 9.684 4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.041 11.106 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.697 12.157 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.359 9.352 6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.125 12.919 5.483 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.788 10.111 8.226 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.171 11.900 7.724 1.00 0.00 H new ATOM 351 N ASP A 26 2.481 10.553 0.828 1.00 0.00 N ATOM 352 CA ASP A 26 1.686 11.352 -0.097 1.00 0.00 C ATOM 353 C ASP A 26 0.484 10.562 -0.602 1.00 0.00 C ATOM 354 O ASP A 26 -0.422 11.120 -1.225 1.00 0.00 O ATOM 355 CB ASP A 26 2.545 11.809 -1.277 1.00 0.00 C ATOM 356 CG ASP A 26 3.783 12.564 -0.835 1.00 0.00 C ATOM 357 OD1 ASP A 26 3.654 13.462 0.025 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.879 12.258 -1.348 1.00 0.00 O ATOM 0 H ASP A 26 3.411 10.311 0.485 1.00 0.00 H new ATOM 0 HA ASP A 26 1.322 12.229 0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.843 10.940 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.949 12.446 -1.931 1.00 0.00 H new ATOM 363 N LEU A 27 0.481 9.262 -0.333 1.00 0.00 N ATOM 364 CA LEU A 27 -0.610 8.393 -0.761 1.00 0.00 C ATOM 365 C LEU A 27 -1.493 8.004 0.420 1.00 0.00 C ATOM 366 O LEU A 27 -2.684 7.739 0.258 1.00 0.00 O ATOM 367 CB LEU A 27 -0.055 7.136 -1.433 1.00 0.00 C ATOM 368 CG LEU A 27 0.527 7.326 -2.835 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.067 6.009 -3.371 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.524 7.897 -3.776 1.00 0.00 C ATOM 0 H LEU A 27 1.223 8.785 0.180 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.218 8.943 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.722 6.718 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.853 6.396 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 27 1.353 8.035 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.477 6.163 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.851 5.641 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.260 5.278 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.092 8.026 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.370 7.213 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.863 8.862 -3.400 1.00 0.00 H new ATOM 382 N HIS A 28 -0.901 7.975 1.610 1.00 0.00 N ATOM 383 CA HIS A 28 -1.634 7.620 2.820 1.00 0.00 C ATOM 384 C HIS A 28 -3.000 8.300 2.847 1.00 0.00 C ATOM 385 O HIS A 28 -4.034 7.634 2.885 1.00 0.00 O ATOM 386 CB HIS A 28 -0.831 8.014 4.061 1.00 0.00 C ATOM 387 CG HIS A 28 0.373 7.154 4.293 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.069 7.138 5.483 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.003 6.275 3.480 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.076 6.289 5.391 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.058 5.750 4.184 1.00 0.00 N ATOM 0 H HIS A 28 0.084 8.193 1.762 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.785 6.541 2.821 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.513 9.052 3.963 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.480 7.961 4.935 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.727 6.031 2.465 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.793 6.072 6.169 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.720 5.057 3.833 1.00 0.00 H new ATOM 399 N ARG A 29 -2.993 9.629 2.826 1.00 0.00 N ATOM 400 CA ARG A 29 -4.232 10.398 2.850 1.00 0.00 C ATOM 401 C ARG A 29 -5.234 9.848 1.839 1.00 0.00 C ATOM 402 O ARG A 29 -6.445 9.980 2.016 1.00 0.00 O ATOM 403 CB ARG A 29 -3.948 11.871 2.550 1.00 0.00 C ATOM 404 CG ARG A 29 -3.115 12.089 1.298 1.00 0.00 C ATOM 405 CD ARG A 29 -2.530 13.492 1.254 1.00 0.00 C ATOM 406 NE ARG A 29 -1.484 13.618 0.241 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.138 14.771 -0.319 1.00 0.00 C ATOM 408 NH1 ARG A 29 -1.752 15.893 0.033 1.00 0.00 N ATOM 409 NH2 ARG A 29 -0.178 14.804 -1.233 1.00 0.00 N ATOM 0 H ARG A 29 -2.145 10.195 2.792 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.663 10.312 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.895 12.400 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.431 12.313 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.309 11.356 1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.733 11.924 0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.324 14.209 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.120 13.745 2.232 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.993 12.773 -0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.492 15.871 0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.485 16.778 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.296 13.943 -1.507 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.087 15.690 -1.663 1.00 0.00 H new ATOM 423 N TYR A 30 -4.720 9.229 0.782 1.00 0.00 N ATOM 424 CA TYR A 30 -5.570 8.661 -0.258 1.00 0.00 C ATOM 425 C TYR A 30 -5.914 7.208 0.053 1.00 0.00 C ATOM 426 O TYR A 30 -6.990 6.723 -0.296 1.00 0.00 O ATOM 427 CB TYR A 30 -4.876 8.752 -1.618 1.00 0.00 C ATOM 428 CG TYR A 30 -4.350 10.133 -1.939 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.062 11.270 -1.580 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.140 10.299 -2.600 1.00 0.00 C ATOM 431 CE1 TYR A 30 -4.586 12.533 -1.870 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.654 11.559 -2.895 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.381 12.674 -2.528 1.00 0.00 C ATOM 434 OH TYR A 30 -2.902 13.930 -2.818 1.00 0.00 O ATOM 0 H TYR A 30 -3.720 9.108 0.623 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.496 9.236 -0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.049 8.043 -1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.578 8.450 -2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.005 11.164 -1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.569 9.429 -2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.154 13.406 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.711 11.671 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.042 13.853 -3.282 1.00 0.00 H new ATOM 444 N VAL A 31 -4.990 6.516 0.715 1.00 0.00 N ATOM 445 CA VAL A 31 -5.195 5.119 1.076 1.00 0.00 C ATOM 446 C VAL A 31 -6.188 4.988 2.226 1.00 0.00 C ATOM 447 O VAL A 31 -7.172 4.255 2.127 1.00 0.00 O ATOM 448 CB VAL A 31 -3.869 4.443 1.479 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.126 3.046 2.021 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.915 4.399 0.296 1.00 0.00 C ATOM 0 H VAL A 31 -4.093 6.901 1.011 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.596 4.620 0.194 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.404 5.033 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.179 2.584 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.771 3.109 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.612 2.442 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.984 3.919 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.369 3.832 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.707 5.414 -0.042 1.00 0.00 H new ATOM 460 N ILE A 32 -5.925 5.704 3.313 1.00 0.00 N ATOM 461 CA ILE A 32 -6.796 5.669 4.480 1.00 0.00 C ATOM 462 C ILE A 32 -8.229 6.038 4.108 1.00 0.00 C ATOM 463 O ILE A 32 -9.147 5.235 4.261 1.00 0.00 O ATOM 464 CB ILE A 32 -6.301 6.626 5.581 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.890 6.239 6.027 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.258 6.612 6.764 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.244 7.257 6.940 1.00 0.00 C ATOM 0 H ILE A 32 -5.115 6.316 3.410 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.773 4.648 4.860 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.269 7.637 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.931 5.278 6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.263 6.104 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.895 7.293 7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.247 6.930 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.318 5.603 7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.246 6.917 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.171 8.214 6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.849 7.375 7.839 1.00 0.00 H new ATOM 550 N ILE A 39 -8.946 1.458 3.285 1.00 0.00 N ATOM 551 CA ILE A 39 -8.119 0.438 3.917 1.00 0.00 C ATOM 552 C ILE A 39 -8.976 -0.661 4.534 1.00 0.00 C ATOM 553 O ILE A 39 -8.701 -1.849 4.361 1.00 0.00 O ATOM 554 CB ILE A 39 -7.216 1.042 5.009 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.202 2.007 4.389 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.504 -0.060 5.779 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.312 2.685 5.405 1.00 0.00 C ATOM 0 HA ILE A 39 -7.493 0.011 3.134 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.841 1.600 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.580 1.461 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.737 2.768 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.870 0.384 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.242 -0.711 6.249 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.889 -0.644 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.620 3.354 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.925 3.260 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.749 1.932 5.956 1.00 0.00 H new ATOM 569 N ARG A 40 -10.018 -0.257 5.254 1.00 0.00 N ATOM 570 CA ARG A 40 -10.917 -1.208 5.896 1.00 0.00 C ATOM 571 C ARG A 40 -11.205 -2.391 4.977 1.00 0.00 C ATOM 572 O ARG A 40 -11.037 -3.547 5.363 1.00 0.00 O ATOM 573 CB ARG A 40 -12.227 -0.520 6.285 1.00 0.00 C ATOM 574 CG ARG A 40 -12.880 -1.109 7.526 1.00 0.00 C ATOM 575 CD ARG A 40 -12.382 -0.431 8.793 1.00 0.00 C ATOM 576 NE ARG A 40 -13.206 0.717 9.159 1.00 0.00 N ATOM 577 CZ ARG A 40 -14.470 0.618 9.557 1.00 0.00 C ATOM 578 NH1 ARG A 40 -15.051 -0.571 9.639 1.00 0.00 N ATOM 579 NH2 ARG A 40 -15.155 1.710 9.873 1.00 0.00 N ATOM 0 H ARG A 40 -10.260 0.722 5.407 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.428 -1.581 6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.035 0.539 6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.925 -0.588 5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.962 -1.000 7.455 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.670 -2.177 7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.379 -1.150 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.351 -0.106 8.649 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.789 1.646 9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.528 -1.412 9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.021 -0.644 9.945 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.711 2.626 9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.125 1.633 10.178 1.00 0.00 H new ATOM 593 N LYS A 41 -11.641 -2.093 3.757 1.00 0.00 N ATOM 594 CA LYS A 41 -11.951 -3.131 2.781 1.00 0.00 C ATOM 595 C LYS A 41 -10.862 -4.198 2.756 1.00 0.00 C ATOM 596 O LYS A 41 -11.151 -5.394 2.807 1.00 0.00 O ATOM 597 CB LYS A 41 -12.111 -2.518 1.388 1.00 0.00 C ATOM 598 CG LYS A 41 -12.289 -3.548 0.286 1.00 0.00 C ATOM 599 CD LYS A 41 -13.722 -4.047 0.216 1.00 0.00 C ATOM 600 CE LYS A 41 -13.911 -5.040 -0.921 1.00 0.00 C ATOM 601 NZ LYS A 41 -13.302 -6.363 -0.608 1.00 0.00 N ATOM 0 H LYS A 41 -11.787 -1.141 3.421 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.889 -3.602 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.972 -1.850 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.235 -1.908 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.008 -3.110 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.618 -4.389 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.991 -4.519 1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.397 -3.202 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.975 -5.168 -1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.463 -4.640 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.452 -7.012 -1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.282 -6.245 -0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.747 -6.757 0.246 1.00 0.00 H new ATOM 615 N MET A 42 -9.611 -3.758 2.679 1.00 0.00 N ATOM 616 CA MET A 42 -8.479 -4.678 2.651 1.00 0.00 C ATOM 617 C MET A 42 -8.312 -5.377 3.996 1.00 0.00 C ATOM 618 O MET A 42 -7.953 -6.552 4.056 1.00 0.00 O ATOM 619 CB MET A 42 -7.195 -3.929 2.290 1.00 0.00 C ATOM 620 CG MET A 42 -7.328 -3.057 1.052 1.00 0.00 C ATOM 621 SD MET A 42 -5.776 -2.887 0.151 1.00 0.00 S ATOM 622 CE MET A 42 -4.601 -2.858 1.503 1.00 0.00 C ATOM 0 H MET A 42 -9.355 -2.772 2.635 1.00 0.00 H new ATOM 0 HA MET A 42 -8.677 -5.434 1.891 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.898 -3.306 3.133 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.395 -4.652 2.131 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.082 -3.484 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.683 -2.069 1.345 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.639 -2.495 1.141 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.966 -2.196 2.288 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.482 -3.865 1.903 1.00 0.00 H new ATOM 632 N MET A 43 -8.574 -4.645 5.075 1.00 0.00 N ATOM 633 CA MET A 43 -8.454 -5.196 6.419 1.00 0.00 C ATOM 634 C MET A 43 -9.488 -6.293 6.653 1.00 0.00 C ATOM 635 O MET A 43 -9.225 -7.268 7.357 1.00 0.00 O ATOM 636 CB MET A 43 -8.621 -4.091 7.464 1.00 0.00 C ATOM 637 CG MET A 43 -7.358 -3.276 7.694 1.00 0.00 C ATOM 638 SD MET A 43 -7.359 -2.429 9.285 1.00 0.00 S ATOM 639 CE MET A 43 -8.611 -1.179 9.004 1.00 0.00 C ATOM 0 H MET A 43 -8.871 -3.670 5.044 1.00 0.00 H new ATOM 0 HA MET A 43 -7.460 -5.632 6.517 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.423 -3.423 7.149 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.932 -4.539 8.408 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.491 -3.934 7.637 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.254 -2.541 6.896 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.414 -0.317 9.642 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.588 -0.870 7.959 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.593 -1.588 9.240 1.00 0.00 H new ATOM 649 N ASP A 44 -10.663 -6.127 6.057 1.00 0.00 N ATOM 650 CA ASP A 44 -11.738 -7.103 6.200 1.00 0.00 C ATOM 651 C ASP A 44 -11.600 -8.216 5.167 1.00 0.00 C ATOM 652 O ASP A 44 -11.853 -9.384 5.463 1.00 0.00 O ATOM 653 CB ASP A 44 -13.098 -6.420 6.053 1.00 0.00 C ATOM 654 CG ASP A 44 -13.639 -5.916 7.378 1.00 0.00 C ATOM 655 OD1 ASP A 44 -12.824 -5.596 8.266 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.877 -5.843 7.524 1.00 0.00 O ATOM 0 H ASP A 44 -10.896 -5.326 5.470 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.667 -7.543 7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.009 -5.584 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.809 -7.122 5.617 1.00 0.00 H new ATOM 661 N GLU A 45 -11.198 -7.847 3.955 1.00 0.00 N ATOM 662 CA GLU A 45 -11.027 -8.816 2.878 1.00 0.00 C ATOM 663 C GLU A 45 -9.856 -9.749 3.165 1.00 0.00 C ATOM 664 O GLU A 45 -9.979 -10.970 3.061 1.00 0.00 O ATOM 665 CB GLU A 45 -10.806 -8.097 1.546 1.00 0.00 C ATOM 666 CG GLU A 45 -10.167 -8.972 0.481 1.00 0.00 C ATOM 667 CD GLU A 45 -10.584 -8.581 -0.923 1.00 0.00 C ATOM 668 OE1 GLU A 45 -10.098 -7.543 -1.420 1.00 0.00 O ATOM 669 OE2 GLU A 45 -11.396 -9.315 -1.526 1.00 0.00 O ATOM 0 H GLU A 45 -10.985 -6.884 3.694 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.937 -9.413 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.764 -7.731 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.175 -7.224 1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.082 -8.907 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.438 -10.012 0.660 1.00 0.00 H new ATOM 676 N PHE A 46 -8.717 -9.167 3.528 1.00 0.00 N ATOM 677 CA PHE A 46 -7.522 -9.945 3.831 1.00 0.00 C ATOM 678 C PHE A 46 -7.473 -10.316 5.310 1.00 0.00 C ATOM 679 O PHE A 46 -6.467 -10.829 5.798 1.00 0.00 O ATOM 680 CB PHE A 46 -6.266 -9.159 3.448 1.00 0.00 C ATOM 681 CG PHE A 46 -6.272 -8.673 2.027 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.344 -9.571 0.974 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.206 -7.319 1.744 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.351 -9.127 -0.335 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.213 -6.869 0.437 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.284 -7.774 -0.604 1.00 0.00 C ATOM 0 H PHE A 46 -8.597 -8.158 3.619 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.560 -10.864 3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.165 -8.303 4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.391 -9.790 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.395 -10.630 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.148 -6.607 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.409 -9.837 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.163 -5.810 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.287 -7.424 -1.626 1.00 0.00 H new ATOM 696 N GLU A 47 -8.568 -10.050 6.016 1.00 0.00 N ATOM 697 CA GLU A 47 -8.648 -10.355 7.441 1.00 0.00 C ATOM 698 C GLU A 47 -7.386 -9.901 8.167 1.00 0.00 C ATOM 699 O GLU A 47 -6.973 -10.507 9.155 1.00 0.00 O ATOM 700 CB GLU A 47 -8.860 -11.856 7.653 1.00 0.00 C ATOM 701 CG GLU A 47 -10.262 -12.328 7.302 1.00 0.00 C ATOM 702 CD GLU A 47 -10.528 -13.750 7.756 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.946 -14.165 8.781 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.317 -14.450 7.087 1.00 0.00 O ATOM 0 H GLU A 47 -9.410 -9.625 5.626 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.498 -9.813 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.139 -12.405 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.654 -12.100 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.992 -11.661 7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.404 -12.262 6.223 1.00 0.00 H new ATOM 711 N VAL A 48 -6.777 -8.830 7.668 1.00 0.00 N ATOM 712 CA VAL A 48 -5.562 -8.292 8.269 1.00 0.00 C ATOM 713 C VAL A 48 -5.792 -6.888 8.815 1.00 0.00 C ATOM 714 O VAL A 48 -6.878 -6.327 8.673 1.00 0.00 O ATOM 715 CB VAL A 48 -4.404 -8.254 7.254 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.232 -9.610 6.586 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.641 -7.166 6.217 1.00 0.00 C ATOM 0 H VAL A 48 -7.105 -8.318 6.849 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.294 -8.957 9.090 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.483 -8.021 7.789 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.409 -9.562 5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.013 -10.363 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.150 -9.877 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.813 -7.153 5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.571 -7.366 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.708 -6.198 6.714 1.00 0.00 H new ATOM 727 N ASN A 49 -4.763 -6.324 9.437 1.00 0.00 N ATOM 728 CA ASN A 49 -4.852 -4.984 10.005 1.00 0.00 C ATOM 729 C ASN A 49 -3.662 -4.131 9.578 1.00 0.00 C ATOM 730 O ASN A 49 -2.524 -4.400 9.964 1.00 0.00 O ATOM 731 CB ASN A 49 -4.922 -5.057 11.532 1.00 0.00 C ATOM 732 CG ASN A 49 -6.319 -5.365 12.033 1.00 0.00 C ATOM 733 OD1 ASN A 49 -7.085 -6.069 11.376 1.00 0.00 O ATOM 734 ND2 ASN A 49 -6.656 -4.838 13.205 1.00 0.00 N ATOM 0 H ASN A 49 -3.856 -6.775 9.561 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.763 -4.518 9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.234 -5.824 11.888 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.589 -4.109 11.954 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.583 -5.011 13.595 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.988 -4.260 13.715 1.00 0.00 H new ATOM 741 N ILE A 50 -3.932 -3.103 8.782 1.00 0.00 N ATOM 742 CA ILE A 50 -2.884 -2.210 8.305 1.00 0.00 C ATOM 743 C ILE A 50 -2.526 -1.169 9.360 1.00 0.00 C ATOM 744 O ILE A 50 -3.374 -0.753 10.150 1.00 0.00 O ATOM 745 CB ILE A 50 -3.303 -1.489 7.010 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.527 -2.504 5.886 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.250 -0.468 6.607 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.171 -1.907 4.653 1.00 0.00 C ATOM 0 H ILE A 50 -4.868 -2.868 8.453 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.012 -2.830 8.099 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.240 -0.962 7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.569 -2.945 5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.155 -3.314 6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.561 0.033 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.135 0.269 7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.299 -0.973 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.300 -2.683 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.144 -1.491 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.534 -1.117 4.256 1.00 0.00 H new ATOM 760 N HIS A 51 -1.265 -0.749 9.366 1.00 0.00 N ATOM 761 CA HIS A 51 -0.794 0.247 10.323 1.00 0.00 C ATOM 762 C HIS A 51 -0.019 1.355 9.616 1.00 0.00 C ATOM 763 O HIS A 51 1.081 1.133 9.112 1.00 0.00 O ATOM 764 CB HIS A 51 0.087 -0.412 11.384 1.00 0.00 C ATOM 765 CG HIS A 51 0.568 0.540 12.436 1.00 0.00 C ATOM 766 ND1 HIS A 51 0.697 0.190 13.765 1.00 0.00 N ATOM 767 CD2 HIS A 51 0.954 1.834 12.350 1.00 0.00 C ATOM 768 CE1 HIS A 51 1.140 1.229 14.449 1.00 0.00 C ATOM 769 NE2 HIS A 51 1.305 2.239 13.614 1.00 0.00 N ATOM 0 H HIS A 51 -0.551 -1.083 8.719 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.664 0.690 10.808 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.473 -1.216 11.861 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.949 -0.869 10.897 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.981 2.436 11.454 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.334 1.249 15.511 1.00 0.00 H new ATOM 0 HE2 HIS A 51 1.639 3.169 13.867 1.00 0.00 H new ATOM 777 N VAL A 52 -0.602 2.550 9.584 1.00 0.00 N ATOM 778 CA VAL A 52 0.034 3.693 8.940 1.00 0.00 C ATOM 779 C VAL A 52 0.626 4.646 9.973 1.00 0.00 C ATOM 780 O VAL A 52 -0.002 4.981 10.977 1.00 0.00 O ATOM 781 CB VAL A 52 -0.962 4.466 8.056 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.256 5.588 7.310 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.655 3.522 7.084 1.00 0.00 C ATOM 0 H VAL A 52 -1.513 2.751 9.996 1.00 0.00 H new ATOM 0 HA VAL A 52 0.834 3.298 8.313 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.721 4.912 8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.976 6.123 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.189 6.278 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.526 5.168 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.355 4.085 6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.911 3.046 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.196 2.758 7.642 1.00 0.00 H new ATOM 793 N PRO A 53 1.865 5.094 9.722 1.00 0.00 N ATOM 794 CA PRO A 53 2.570 6.017 10.617 1.00 0.00 C ATOM 795 C PRO A 53 1.958 7.413 10.611 1.00 0.00 C ATOM 796 O PRO A 53 1.519 7.903 9.570 1.00 0.00 O ATOM 797 CB PRO A 53 3.990 6.052 10.045 1.00 0.00 C ATOM 798 CG PRO A 53 3.826 5.700 8.607 1.00 0.00 C ATOM 799 CD PRO A 53 2.674 4.736 8.544 1.00 0.00 C ATOM 0 HA PRO A 53 2.523 5.692 11.656 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.440 7.038 10.163 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.640 5.341 10.555 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.624 6.588 8.009 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.735 5.248 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.108 4.846 7.619 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.013 3.701 8.589 1.00 0.00 H new ATOM 807 N ALA A 54 1.931 8.048 11.777 1.00 0.00 N ATOM 808 CA ALA A 54 1.374 9.390 11.904 1.00 0.00 C ATOM 809 C ALA A 54 2.179 10.398 11.091 1.00 0.00 C ATOM 810 O ALA A 54 3.311 10.139 10.683 1.00 0.00 O ATOM 811 CB ALA A 54 1.329 9.805 13.367 1.00 0.00 C ATOM 0 H ALA A 54 2.288 7.655 12.648 1.00 0.00 H new ATOM 0 HA ALA A 54 0.358 9.374 11.510 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.911 10.809 13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.705 9.106 13.924 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.338 9.798 13.778 1.00 0.00 H new ATOM 817 N PRO A 55 1.583 11.574 10.849 1.00 0.00 N ATOM 818 CA PRO A 55 2.227 12.644 10.081 1.00 0.00 C ATOM 819 C PRO A 55 3.391 13.279 10.835 1.00 0.00 C ATOM 820 O PRO A 55 4.278 13.880 10.232 1.00 0.00 O ATOM 821 CB PRO A 55 1.102 13.663 9.880 1.00 0.00 C ATOM 822 CG PRO A 55 0.168 13.425 11.015 1.00 0.00 C ATOM 823 CD PRO A 55 0.234 11.950 11.305 1.00 0.00 C ATOM 0 HA PRO A 55 2.658 12.275 9.150 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.486 14.683 9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.604 13.519 8.921 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.460 14.008 11.889 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.847 13.726 10.755 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.096 11.742 12.366 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.539 11.400 10.769 1.00 0.00 H new ATOM 831 N GLU A 56 3.380 13.139 12.158 1.00 0.00 N ATOM 832 CA GLU A 56 4.435 13.699 12.994 1.00 0.00 C ATOM 833 C GLU A 56 5.685 12.824 12.951 1.00 0.00 C ATOM 834 O GLU A 56 6.767 13.247 13.359 1.00 0.00 O ATOM 835 CB GLU A 56 3.950 13.846 14.437 1.00 0.00 C ATOM 836 CG GLU A 56 3.373 12.565 15.017 1.00 0.00 C ATOM 837 CD GLU A 56 3.482 12.510 16.529 1.00 0.00 C ATOM 838 OE1 GLU A 56 4.621 12.550 17.043 1.00 0.00 O ATOM 839 OE2 GLU A 56 2.432 12.426 17.198 1.00 0.00 O ATOM 0 H GLU A 56 2.652 12.643 12.673 1.00 0.00 H new ATOM 0 HA GLU A 56 4.689 14.684 12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.782 14.175 15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.192 14.628 14.479 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.325 12.479 14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.893 11.709 14.587 1.00 0.00 H new ATOM 846 N LEU A 57 5.527 11.602 12.455 1.00 0.00 N ATOM 847 CA LEU A 57 6.641 10.665 12.359 1.00 0.00 C ATOM 848 C LEU A 57 7.386 10.838 11.040 1.00 0.00 C ATOM 849 O LEU A 57 8.579 10.552 10.948 1.00 0.00 O ATOM 850 CB LEU A 57 6.137 9.228 12.490 1.00 0.00 C ATOM 851 CG LEU A 57 5.456 8.873 13.812 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.745 7.532 13.703 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.470 8.849 14.946 1.00 0.00 C ATOM 0 H LEU A 57 4.638 11.237 12.113 1.00 0.00 H new ATOM 0 HA LEU A 57 7.332 10.876 13.175 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.434 9.035 11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.981 8.554 12.347 1.00 0.00 H new ATOM 0 HG LEU A 57 4.713 9.639 14.032 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.266 7.296 14.653 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.990 7.583 12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.469 6.755 13.459 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.967 8.595 15.879 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.237 8.104 14.733 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.934 9.831 15.040 1.00 0.00 H new ATOM 865 N GLN A 58 6.673 11.309 10.022 1.00 0.00 N ATOM 866 CA GLN A 58 7.267 11.521 8.707 1.00 0.00 C ATOM 867 C GLN A 58 7.868 10.228 8.166 1.00 0.00 C ATOM 868 O GLN A 58 9.000 10.212 7.682 1.00 0.00 O ATOM 869 CB GLN A 58 8.344 12.605 8.779 1.00 0.00 C ATOM 870 CG GLN A 58 7.848 13.915 9.372 1.00 0.00 C ATOM 871 CD GLN A 58 8.806 15.064 9.130 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.707 15.316 9.932 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.619 15.770 8.021 1.00 0.00 N ATOM 0 H GLN A 58 5.684 11.551 10.082 1.00 0.00 H new ATOM 0 HA GLN A 58 6.478 11.846 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.178 12.238 9.377 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.728 12.792 7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.877 14.160 8.942 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.699 13.791 10.445 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.860 15.527 7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.234 16.555 7.806 1.00 0.00 H new ATOM 882 N SER A 59 7.103 9.144 8.252 1.00 0.00 N ATOM 883 CA SER A 59 7.562 7.844 7.775 1.00 0.00 C ATOM 884 C SER A 59 6.747 7.390 6.569 1.00 0.00 C ATOM 885 O SER A 59 5.565 7.710 6.448 1.00 0.00 O ATOM 886 CB SER A 59 7.463 6.804 8.893 1.00 0.00 C ATOM 887 OG SER A 59 8.442 5.791 8.735 1.00 0.00 O ATOM 0 H SER A 59 6.163 9.140 8.647 1.00 0.00 H new ATOM 0 HA SER A 59 8.604 7.942 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.592 7.291 9.860 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.469 6.357 8.891 1.00 0.00 H new ATOM 0 HG SER A 59 8.359 5.140 9.463 1.00 0.00 H new ATOM 893 N ASP A 60 7.388 6.642 5.677 1.00 0.00 N ATOM 894 CA ASP A 60 6.724 6.142 4.479 1.00 0.00 C ATOM 895 C ASP A 60 6.666 4.617 4.487 1.00 0.00 C ATOM 896 O ASP A 60 6.590 3.985 3.432 1.00 0.00 O ATOM 897 CB ASP A 60 7.451 6.631 3.226 1.00 0.00 C ATOM 898 CG ASP A 60 7.741 8.118 3.268 1.00 0.00 C ATOM 899 OD1 ASP A 60 6.977 8.854 3.927 1.00 0.00 O ATOM 900 OD2 ASP A 60 8.733 8.549 2.641 1.00 0.00 O ATOM 0 H ASP A 60 8.367 6.369 5.761 1.00 0.00 H new ATOM 0 HA ASP A 60 5.704 6.526 4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.388 6.084 3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.846 6.406 2.348 1.00 0.00 H new ATOM 905 N ILE A 61 6.705 4.035 5.679 1.00 0.00 N ATOM 906 CA ILE A 61 6.657 2.585 5.824 1.00 0.00 C ATOM 907 C ILE A 61 5.420 2.150 6.603 1.00 0.00 C ATOM 908 O ILE A 61 5.263 2.490 7.776 1.00 0.00 O ATOM 909 CB ILE A 61 7.913 2.047 6.534 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.160 2.778 6.033 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.046 0.548 6.313 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.551 2.408 4.619 1.00 0.00 C ATOM 0 H ILE A 61 6.770 4.545 6.560 1.00 0.00 H new ATOM 0 HA ILE A 61 6.614 2.170 4.817 1.00 0.00 H new ATOM 0 HB ILE A 61 7.813 2.228 7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.986 3.853 6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.993 2.558 6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.939 0.183 6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.168 0.042 6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.127 0.343 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.443 2.964 4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.757 1.339 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.735 2.654 3.940 1.00 0.00 H new ATOM 924 N ILE A 62 4.547 1.397 5.944 1.00 0.00 N ATOM 925 CA ILE A 62 3.325 0.913 6.576 1.00 0.00 C ATOM 926 C ILE A 62 3.518 -0.489 7.143 1.00 0.00 C ATOM 927 O ILE A 62 4.195 -1.324 6.545 1.00 0.00 O ATOM 928 CB ILE A 62 2.146 0.897 5.585 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.638 2.319 5.339 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.026 0.011 6.109 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.690 2.427 4.166 1.00 0.00 C ATOM 0 H ILE A 62 4.662 1.108 4.973 1.00 0.00 H new ATOM 0 HA ILE A 62 3.096 1.602 7.388 1.00 0.00 H new ATOM 0 HB ILE A 62 2.493 0.487 4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.134 2.677 6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.491 2.976 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.200 0.010 5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.396 -1.006 6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.678 0.394 7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.370 3.463 4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.196 2.100 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.181 1.796 4.343 1.00 0.00 H new ATOM 943 N ALA A 63 2.916 -0.741 8.301 1.00 0.00 N ATOM 944 CA ALA A 63 3.018 -2.043 8.947 1.00 0.00 C ATOM 945 C ALA A 63 1.694 -2.797 8.875 1.00 0.00 C ATOM 946 O ALA A 63 0.650 -2.274 9.263 1.00 0.00 O ATOM 947 CB ALA A 63 3.457 -1.881 10.396 1.00 0.00 C ATOM 0 H ALA A 63 2.353 -0.060 8.811 1.00 0.00 H new ATOM 0 HA ALA A 63 3.769 -2.627 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.529 -2.862 10.866 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.430 -1.391 10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.727 -1.275 10.932 1.00 0.00 H new ATOM 953 N ILE A 64 1.746 -4.028 8.375 1.00 0.00 N ATOM 954 CA ILE A 64 0.551 -4.852 8.252 1.00 0.00 C ATOM 955 C ILE A 64 0.619 -6.060 9.180 1.00 0.00 C ATOM 956 O ILE A 64 1.646 -6.737 9.263 1.00 0.00 O ATOM 957 CB ILE A 64 0.350 -5.341 6.805 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.484 -4.172 5.826 1.00 0.00 C ATOM 959 CG2 ILE A 64 -1.008 -6.011 6.656 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.329 -4.577 4.377 1.00 0.00 C ATOM 0 H ILE A 64 2.603 -4.475 8.049 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.295 -4.226 8.536 1.00 0.00 H new ATOM 0 HB ILE A 64 1.122 -6.075 6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.267 -3.419 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.459 -3.705 5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.135 -6.351 5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.068 -6.865 7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.795 -5.298 6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.436 -3.699 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.096 -5.307 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.657 -5.017 4.226 1.00 0.00 H new ATOM 972 N THR A 65 -0.481 -6.329 9.875 1.00 0.00 N ATOM 973 CA THR A 65 -0.547 -7.456 10.797 1.00 0.00 C ATOM 974 C THR A 65 -1.458 -8.553 10.259 1.00 0.00 C ATOM 975 O THR A 65 -2.558 -8.282 9.780 1.00 0.00 O ATOM 976 CB THR A 65 -1.054 -7.019 12.185 1.00 0.00 C ATOM 977 OG1 THR A 65 -0.299 -5.894 12.649 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.943 -8.159 13.185 1.00 0.00 C ATOM 0 H THR A 65 -1.339 -5.781 9.817 1.00 0.00 H new ATOM 0 HA THR A 65 0.467 -7.844 10.895 1.00 0.00 H new ATOM 0 HB THR A 65 -2.103 -6.739 12.094 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.628 -5.621 13.531 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.307 -7.827 14.157 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.542 -9.003 12.843 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.099 -8.466 13.273 1.00 0.00 H new ATOM 986 N GLY A 66 -0.992 -9.797 10.342 1.00 0.00 N ATOM 987 CA GLY A 66 -1.778 -10.917 9.858 1.00 0.00 C ATOM 988 C GLY A 66 -0.936 -12.154 9.616 1.00 0.00 C ATOM 989 O GLY A 66 0.295 -12.090 9.633 1.00 0.00 O ATOM 0 H GLY A 66 -0.085 -10.048 10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.559 -11.149 10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.277 -10.633 8.931 1.00 0.00 H new ATOM 993 N LEU A 67 -1.598 -13.283 9.390 1.00 0.00 N ATOM 994 CA LEU A 67 -0.903 -14.542 9.144 1.00 0.00 C ATOM 995 C LEU A 67 -0.055 -14.457 7.878 1.00 0.00 C ATOM 996 O LEU A 67 -0.470 -13.869 6.880 1.00 0.00 O ATOM 997 CB LEU A 67 -1.908 -15.687 9.023 1.00 0.00 C ATOM 998 CG LEU A 67 -2.649 -16.071 10.305 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.646 -17.186 10.033 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.662 -16.486 11.386 1.00 0.00 C ATOM 0 H LEU A 67 -2.615 -13.353 9.372 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.243 -14.735 9.989 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.646 -15.417 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.382 -16.568 8.654 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.200 -15.199 10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.163 -17.445 10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.372 -16.852 9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.118 -18.062 9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.206 -16.756 12.291 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.084 -17.343 11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.988 -15.657 11.601 1.00 0.00 H new ATOM 1012 N ALA A 68 1.132 -15.051 7.927 1.00 0.00 N ATOM 1013 CA ALA A 68 2.036 -15.047 6.783 1.00 0.00 C ATOM 1014 C ALA A 68 1.264 -15.162 5.473 1.00 0.00 C ATOM 1015 O ALA A 68 1.686 -14.633 4.445 1.00 0.00 O ATOM 1016 CB ALA A 68 3.045 -16.179 6.904 1.00 0.00 C ATOM 0 H ALA A 68 1.491 -15.541 8.746 1.00 0.00 H new ATOM 0 HA ALA A 68 2.571 -14.097 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.714 -16.164 6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.626 -16.052 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.519 -17.133 6.938 1.00 0.00 H new ATOM 1022 N ALA A 69 0.132 -15.855 5.518 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.700 -16.038 4.334 1.00 0.00 C ATOM 1024 C ALA A 69 -1.514 -14.783 4.036 1.00 0.00 C ATOM 1025 O ALA A 69 -1.601 -14.347 2.889 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.620 -17.235 4.516 1.00 0.00 C ATOM 0 H ALA A 69 -0.231 -16.299 6.361 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.044 -16.224 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.235 -17.360 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.022 -18.133 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.263 -17.072 5.381 1.00 0.00 H new ATOM 1032 N ASN A 70 -2.107 -14.207 5.077 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.915 -13.002 4.925 1.00 0.00 C ATOM 1034 C ASN A 70 -2.039 -11.800 4.586 1.00 0.00 C ATOM 1035 O ASN A 70 -2.483 -10.862 3.921 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.704 -12.727 6.207 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.329 -13.984 6.781 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.456 -14.997 6.095 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.724 -13.923 8.048 1.00 0.00 N ATOM 0 H ASN A 70 -2.043 -14.555 6.034 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.614 -13.164 4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.042 -12.282 6.950 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.487 -11.997 5.999 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.152 -14.737 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.599 -13.062 8.580 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.794 -11.832 5.046 1.00 0.00 N ATOM 1047 CA LEU A 71 0.145 -10.746 4.791 1.00 0.00 C ATOM 1048 C LEU A 71 0.512 -10.679 3.312 1.00 0.00 C ATOM 1049 O LEU A 71 0.803 -9.606 2.783 1.00 0.00 O ATOM 1050 CB LEU A 71 1.409 -10.929 5.634 1.00 0.00 C ATOM 1051 CG LEU A 71 1.191 -11.149 7.131 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.460 -11.676 7.783 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.742 -9.858 7.800 1.00 0.00 C ATOM 0 H LEU A 71 -0.411 -12.599 5.598 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.338 -9.809 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.965 -11.779 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.039 -10.049 5.504 1.00 0.00 H new ATOM 0 HG LEU A 71 0.405 -11.893 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.286 -11.827 8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.739 -12.624 7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.266 -10.955 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.592 -10.033 8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.506 -9.092 7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.193 -9.522 7.352 1.00 0.00 H new ATOM 1065 N ASP A 72 0.493 -11.831 2.650 1.00 0.00 N ATOM 1066 CA ASP A 72 0.820 -11.902 1.231 1.00 0.00 C ATOM 1067 C ASP A 72 -0.287 -11.279 0.386 1.00 0.00 C ATOM 1068 O ASP A 72 -0.059 -10.304 -0.330 1.00 0.00 O ATOM 1069 CB ASP A 72 1.042 -13.356 0.810 1.00 0.00 C ATOM 1070 CG ASP A 72 2.487 -13.788 0.963 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.383 -12.939 0.772 1.00 0.00 O ATOM 1072 OD2 ASP A 72 2.722 -14.975 1.272 1.00 0.00 O ATOM 0 H ASP A 72 0.255 -12.728 3.073 1.00 0.00 H new ATOM 0 HA ASP A 72 1.739 -11.339 1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.406 -14.006 1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.736 -13.481 -0.229 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.484 -11.848 0.474 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.625 -11.350 -0.284 1.00 0.00 C ATOM 1079 C ARG A 73 -2.918 -9.894 0.068 1.00 0.00 C ATOM 1080 O ARG A 73 -3.418 -9.133 -0.760 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.861 -12.209 -0.011 1.00 0.00 C ATOM 1082 CG ARG A 73 -4.219 -12.311 1.463 1.00 0.00 C ATOM 1083 CD ARG A 73 -5.435 -13.198 1.681 1.00 0.00 C ATOM 1084 NE ARG A 73 -6.085 -12.930 2.961 1.00 0.00 N ATOM 1085 CZ ARG A 73 -7.243 -13.469 3.324 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -7.875 -14.301 2.508 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -7.771 -13.177 4.506 1.00 0.00 N ATOM 0 H ARG A 73 -1.689 -12.655 1.063 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.377 -11.408 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.709 -11.793 -0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.691 -13.211 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.371 -12.712 2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.418 -11.315 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.148 -13.040 0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.133 -14.244 1.640 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.624 -12.294 3.612 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.472 -14.528 1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.764 -14.714 2.789 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.287 -12.538 5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.661 -13.592 4.784 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.603 -9.514 1.302 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.830 -8.150 1.763 1.00 0.00 C ATOM 1103 C ALA A 74 -1.745 -7.210 1.251 1.00 0.00 C ATOM 1104 O ALA A 74 -2.038 -6.178 0.646 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.892 -8.111 3.283 1.00 0.00 C ATOM 0 H ALA A 74 -2.190 -10.132 2.000 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.785 -7.811 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.062 -7.086 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.708 -8.745 3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.950 -8.474 3.695 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.490 -7.571 1.496 1.00 0.00 N ATOM 1112 CA LYS A 75 0.640 -6.760 1.059 1.00 0.00 C ATOM 1113 C LYS A 75 0.613 -6.559 -0.453 1.00 0.00 C ATOM 1114 O LYS A 75 1.060 -5.531 -0.959 1.00 0.00 O ATOM 1115 CB LYS A 75 1.958 -7.420 1.473 1.00 0.00 C ATOM 1116 CG LYS A 75 3.176 -6.542 1.244 1.00 0.00 C ATOM 1117 CD LYS A 75 4.467 -7.325 1.412 1.00 0.00 C ATOM 1118 CE LYS A 75 5.685 -6.456 1.137 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.850 -7.263 0.680 1.00 0.00 N ATOM 0 H LYS A 75 -0.230 -8.421 1.996 1.00 0.00 H new ATOM 0 HA LYS A 75 0.562 -5.784 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.906 -7.686 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.080 -8.349 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.135 -6.116 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.161 -5.708 1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.524 -7.723 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.467 -8.179 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.438 -5.713 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.954 -5.910 2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.660 -6.635 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.103 -7.955 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.603 -7.764 -0.197 1.00 0.00 H new ATOM 1133 N ALA A 76 0.084 -7.546 -1.167 1.00 0.00 N ATOM 1134 CA ALA A 76 -0.004 -7.476 -2.620 1.00 0.00 C ATOM 1135 C ALA A 76 -0.925 -6.341 -3.059 1.00 0.00 C ATOM 1136 O ALA A 76 -0.621 -5.614 -4.004 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.493 -8.802 -3.185 1.00 0.00 C ATOM 0 H ALA A 76 -0.290 -8.404 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 76 0.993 -7.273 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.554 -8.734 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.203 -9.594 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.479 -9.029 -2.780 1.00 0.00 H new ATOM 1143 N GLY A 77 -2.050 -6.197 -2.368 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.997 -5.150 -2.703 1.00 0.00 C ATOM 1145 C GLY A 77 -2.409 -3.763 -2.539 1.00 0.00 C ATOM 1146 O GLY A 77 -2.481 -2.937 -3.450 1.00 0.00 O ATOM 0 H GLY A 77 -2.323 -6.787 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.330 -5.281 -3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.878 -5.245 -2.069 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.827 -3.503 -1.373 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.225 -2.204 -1.090 1.00 0.00 C ATOM 1152 C LEU A 78 -0.184 -1.846 -2.146 1.00 0.00 C ATOM 1153 O LEU A 78 -0.293 -0.819 -2.817 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.581 -2.209 0.297 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.374 -0.840 0.946 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.710 -0.147 1.167 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.379 -0.982 2.261 1.00 0.00 C ATOM 0 H LEU A 78 -1.759 -4.174 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.014 -1.452 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.199 -2.814 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.387 -2.704 0.224 1.00 0.00 H new ATOM 0 HG LEU A 78 0.224 -0.226 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.543 0.826 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.213 -0.012 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.333 -0.758 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.517 0.002 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.193 -1.613 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.352 -1.437 2.076 1.00 0.00 H new ATOM 1169 N LEU A 79 0.824 -2.700 -2.289 1.00 0.00 N ATOM 1170 CA LEU A 79 1.885 -2.475 -3.265 1.00 0.00 C ATOM 1171 C LEU A 79 1.302 -2.097 -4.624 1.00 0.00 C ATOM 1172 O LEU A 79 1.657 -1.067 -5.196 1.00 0.00 O ATOM 1173 CB LEU A 79 2.753 -3.726 -3.401 1.00 0.00 C ATOM 1174 CG LEU A 79 3.628 -4.068 -2.194 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.304 -5.417 -2.391 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.666 -2.979 -1.962 1.00 0.00 C ATOM 0 H LEU A 79 0.929 -3.554 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 79 2.502 -1.649 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.102 -4.576 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.399 -3.603 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 79 2.990 -4.128 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.923 -5.644 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.545 -6.191 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.929 -5.384 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.280 -3.239 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.300 -2.887 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.163 -2.030 -1.776 1.00 0.00 H new ATOM 1188 N GLU A 80 0.405 -2.936 -5.133 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.226 -2.688 -6.424 1.00 0.00 C ATOM 1190 C GLU A 80 -1.026 -1.389 -6.396 1.00 0.00 C ATOM 1191 O GLU A 80 -1.211 -0.740 -7.427 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.139 -3.855 -6.802 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.407 -5.015 -7.454 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.343 -5.972 -8.166 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.502 -6.108 -7.720 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -0.920 -6.584 -9.168 1.00 0.00 O ATOM 0 H GLU A 80 0.099 -3.793 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 80 0.560 -2.595 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.645 -4.214 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.911 -3.495 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.320 -4.626 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.153 -5.559 -6.694 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.499 -1.017 -5.212 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.281 0.203 -5.050 1.00 0.00 C ATOM 1205 C ARG A 81 -1.406 1.440 -5.237 1.00 0.00 C ATOM 1206 O ARG A 81 -1.820 2.419 -5.856 1.00 0.00 O ATOM 1207 CB ARG A 81 -2.938 0.235 -3.669 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.200 1.080 -3.613 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.388 0.347 -4.217 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.481 1.258 -4.549 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.697 0.850 -4.893 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.975 -0.445 -4.949 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.639 1.738 -5.182 1.00 0.00 N ATOM 0 H ARG A 81 -1.355 -1.543 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.058 0.209 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.180 -0.784 -3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.221 0.620 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.420 1.340 -2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.037 2.015 -4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.070 -0.181 -5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.745 -0.407 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.300 2.261 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.254 -1.131 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.910 -0.755 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.430 2.735 -5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.573 1.423 -5.446 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.192 1.386 -4.698 1.00 0.00 N ATOM 1228 CA VAL A 82 0.742 2.500 -4.805 1.00 0.00 C ATOM 1229 C VAL A 82 1.212 2.685 -6.243 1.00 0.00 C ATOM 1230 O VAL A 82 1.256 3.806 -6.755 1.00 0.00 O ATOM 1231 CB VAL A 82 1.970 2.293 -3.898 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.980 3.412 -4.102 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.546 2.206 -2.440 1.00 0.00 C ATOM 0 H VAL A 82 0.167 0.582 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 82 0.208 3.393 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 82 2.447 1.352 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.840 3.248 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.307 3.422 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.518 4.368 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.426 2.060 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.044 3.130 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.864 1.366 -2.309 1.00 0.00 H new ATOM 1243 N LYS A 83 1.564 1.582 -6.893 1.00 0.00 N ATOM 1244 CA LYS A 83 2.029 1.621 -8.274 1.00 0.00 C ATOM 1245 C LYS A 83 0.970 2.227 -9.189 1.00 0.00 C ATOM 1246 O LYS A 83 1.289 2.982 -10.105 1.00 0.00 O ATOM 1247 CB LYS A 83 2.387 0.212 -8.753 1.00 0.00 C ATOM 1248 CG LYS A 83 3.789 -0.226 -8.365 1.00 0.00 C ATOM 1249 CD LYS A 83 3.972 -1.725 -8.534 1.00 0.00 C ATOM 1250 CE LYS A 83 3.521 -2.484 -7.295 1.00 0.00 C ATOM 1251 NZ LYS A 83 3.453 -3.951 -7.538 1.00 0.00 N ATOM 0 H LYS A 83 1.536 0.648 -6.485 1.00 0.00 H new ATOM 0 HA LYS A 83 2.919 2.249 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.668 -0.496 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.290 0.171 -9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.519 0.302 -8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.984 0.051 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.403 -2.067 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.021 -1.944 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.211 -2.283 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.541 -2.122 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.142 -4.433 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.776 -4.145 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.393 -4.302 -7.810 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.290 1.891 -8.931 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.395 2.405 -9.731 1.00 0.00 C ATOM 1267 C GLU A 84 -1.729 3.841 -9.341 1.00 0.00 C ATOM 1268 O GLU A 84 -1.806 4.727 -10.194 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.631 1.518 -9.561 1.00 0.00 C ATOM 1270 CG GLU A 84 -3.835 1.995 -10.356 1.00 0.00 C ATOM 1271 CD GLU A 84 -3.816 1.509 -11.792 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -2.823 1.785 -12.500 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -4.794 0.854 -12.210 1.00 0.00 O ATOM 0 H GLU A 84 -0.571 1.266 -8.175 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.088 2.394 -10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.383 0.502 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.896 1.477 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.747 1.647 -9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.864 3.085 -10.346 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.927 4.066 -8.047 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.253 5.395 -7.542 1.00 0.00 C ATOM 1282 C LEU A 85 -1.234 6.425 -8.021 1.00 0.00 C ATOM 1283 O LEU A 85 -1.596 7.432 -8.629 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.302 5.384 -6.014 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.533 4.729 -5.386 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.282 4.414 -3.920 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.752 5.628 -5.540 1.00 0.00 C ATOM 0 H LEU A 85 -1.867 3.345 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.233 5.673 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.414 4.870 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.243 6.414 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.728 3.792 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.169 3.949 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.437 3.731 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.060 5.336 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.619 5.146 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.566 6.581 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.945 5.801 -6.599 1.00 0.00 H new