USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 548 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 9 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.33) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot -71:sc= 0.987 USER MOD Single : A 26 THR OG1 : rot -170:sc= -2.54! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= 1.22 (180deg=0.78) USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= -0.0711 (180deg=-0.32) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.059) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -3.75! C(o=-3.8!,f=-6.2!) USER MOD Single : A 60 GLN : amide:sc= 0.344 X(o=0.34,f=-0.1) USER MOD Single : A 61 HIS : no HD1:sc= 0.295 K(o=0.48,f=-3.7!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 0:sc= 0.676 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 1.28 (180deg=0.914) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.383 K(o=-0.38,f=-1.9!) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0239 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 0.314 12.882 -8.149 1.00 0.00 N ATOM 135 CA GLN A 9 0.719 11.710 -8.902 1.00 0.00 C ATOM 136 C GLN A 9 2.084 11.913 -9.536 1.00 0.00 C ATOM 137 O GLN A 9 2.218 12.620 -10.536 1.00 0.00 O ATOM 138 CB GLN A 9 -0.304 11.378 -9.987 1.00 0.00 C ATOM 139 CG GLN A 9 -1.693 11.102 -9.445 1.00 0.00 C ATOM 140 CD GLN A 9 -2.675 10.692 -10.523 1.00 0.00 C ATOM 141 OE1 GLN A 9 -3.866 10.978 -10.431 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.189 10.001 -11.543 1.00 0.00 N ATOM 0 HA GLN A 9 0.777 10.877 -8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.356 12.208 -10.692 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.039 10.507 -10.545 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.635 10.314 -8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.065 11.994 -8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.193 9.783 -11.583 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.810 9.687 -12.288 1.00 0.00 H new ATOM 151 N ASP A 10 3.091 11.297 -8.947 1.00 0.00 N ATOM 152 CA ASP A 10 4.438 11.340 -9.496 1.00 0.00 C ATOM 153 C ASP A 10 4.822 9.938 -9.954 1.00 0.00 C ATOM 154 O ASP A 10 3.946 9.097 -10.161 1.00 0.00 O ATOM 155 CB ASP A 10 5.427 11.859 -8.446 1.00 0.00 C ATOM 156 CG ASP A 10 6.617 12.563 -9.070 1.00 0.00 C ATOM 157 OD1 ASP A 10 7.490 11.880 -9.637 1.00 0.00 O ATOM 158 OD2 ASP A 10 6.672 13.811 -9.012 1.00 0.00 O ATOM 0 H ASP A 10 3.004 10.758 -8.085 1.00 0.00 H new ATOM 0 HA ASP A 10 4.470 12.022 -10.346 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.912 12.547 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.779 11.025 -7.839 1.00 0.00 H new ATOM 163 N ASN A 11 6.112 9.676 -10.102 1.00 0.00 N ATOM 164 CA ASN A 11 6.565 8.355 -10.506 1.00 0.00 C ATOM 165 C ASN A 11 7.175 7.626 -9.321 1.00 0.00 C ATOM 166 O ASN A 11 8.186 8.052 -8.760 1.00 0.00 O ATOM 167 CB ASN A 11 7.589 8.431 -11.649 1.00 0.00 C ATOM 168 CG ASN A 11 6.986 8.920 -12.953 1.00 0.00 C ATOM 169 OD1 ASN A 11 6.404 8.144 -13.713 1.00 0.00 O ATOM 170 ND2 ASN A 11 7.148 10.202 -13.241 1.00 0.00 N ATOM 0 H ASN A 11 6.858 10.355 -9.950 1.00 0.00 H new ATOM 0 HA ASN A 11 5.696 7.805 -10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.401 9.097 -11.358 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.026 7.445 -11.804 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.785 10.578 -14.117 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.635 10.814 -12.587 1.00 0.00 H new ATOM 177 N PHE A 12 6.542 6.535 -8.940 1.00 0.00 N ATOM 178 CA PHE A 12 7.025 5.707 -7.852 1.00 0.00 C ATOM 179 C PHE A 12 7.663 4.450 -8.411 1.00 0.00 C ATOM 180 O PHE A 12 7.054 3.742 -9.216 1.00 0.00 O ATOM 181 CB PHE A 12 5.880 5.331 -6.907 1.00 0.00 C ATOM 182 CG PHE A 12 5.369 6.476 -6.074 1.00 0.00 C ATOM 183 CD1 PHE A 12 4.642 7.506 -6.650 1.00 0.00 C ATOM 184 CD2 PHE A 12 5.610 6.513 -4.710 1.00 0.00 C ATOM 185 CE1 PHE A 12 4.167 8.550 -5.880 1.00 0.00 C ATOM 186 CE2 PHE A 12 5.137 7.556 -3.937 1.00 0.00 C ATOM 187 CZ PHE A 12 4.414 8.576 -4.524 1.00 0.00 C ATOM 0 H PHE A 12 5.682 6.198 -9.373 1.00 0.00 H new ATOM 0 HA PHE A 12 7.767 6.273 -7.288 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.056 4.927 -7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.218 4.535 -6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.445 7.492 -7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.174 5.718 -4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.602 9.347 -6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.332 7.574 -2.875 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.043 9.392 -3.922 1.00 0.00 H new ATOM 197 N VAL A 13 8.889 4.180 -7.999 1.00 0.00 N ATOM 198 CA VAL A 13 9.569 2.974 -8.419 1.00 0.00 C ATOM 199 C VAL A 13 9.194 1.849 -7.471 1.00 0.00 C ATOM 200 O VAL A 13 9.707 1.758 -6.354 1.00 0.00 O ATOM 201 CB VAL A 13 11.100 3.146 -8.450 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.766 1.922 -9.065 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.481 4.407 -9.209 1.00 0.00 C ATOM 0 H VAL A 13 9.430 4.779 -7.376 1.00 0.00 H new ATOM 0 HA VAL A 13 9.254 2.742 -9.436 1.00 0.00 H new ATOM 0 HB VAL A 13 11.455 3.246 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.847 2.064 -9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.522 1.039 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.406 1.786 -10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.566 4.511 -9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.112 4.341 -10.233 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.038 5.274 -8.719 1.00 0.00 H new ATOM 213 N VAL A 14 8.266 1.024 -7.911 1.00 0.00 N ATOM 214 CA VAL A 14 7.732 -0.035 -7.079 1.00 0.00 C ATOM 215 C VAL A 14 8.477 -1.336 -7.317 1.00 0.00 C ATOM 216 O VAL A 14 8.561 -1.823 -8.448 1.00 0.00 O ATOM 217 CB VAL A 14 6.230 -0.236 -7.346 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.675 -1.390 -6.523 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.470 1.044 -7.046 1.00 0.00 C ATOM 0 H VAL A 14 7.863 1.067 -8.847 1.00 0.00 H new ATOM 0 HA VAL A 14 7.866 0.260 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 14 6.102 -0.485 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.612 -1.508 -6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.201 -2.309 -6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.815 -1.181 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.408 0.890 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.614 1.316 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.842 1.846 -7.684 1.00 0.00 H new ATOM 229 N LEU A 15 9.018 -1.889 -6.248 1.00 0.00 N ATOM 230 CA LEU A 15 9.774 -3.121 -6.323 1.00 0.00 C ATOM 231 C LEU A 15 8.916 -4.291 -5.859 1.00 0.00 C ATOM 232 O LEU A 15 8.690 -4.479 -4.659 1.00 0.00 O ATOM 233 CB LEU A 15 11.042 -3.021 -5.468 1.00 0.00 C ATOM 234 CG LEU A 15 11.946 -1.819 -5.772 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.135 -1.786 -4.824 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.426 -1.855 -7.213 1.00 0.00 C ATOM 0 H LEU A 15 8.946 -1.498 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 15 10.067 -3.289 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.750 -2.979 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.623 -3.934 -5.601 1.00 0.00 H new ATOM 0 HG LEU A 15 11.359 -0.912 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.763 -0.926 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.779 -1.708 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.716 -2.701 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.065 -0.993 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.991 -2.771 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.567 -1.826 -7.883 1.00 0.00 H new ATOM 248 N GLU A 16 8.413 -5.054 -6.816 1.00 0.00 N ATOM 249 CA GLU A 16 7.635 -6.241 -6.515 1.00 0.00 C ATOM 250 C GLU A 16 8.572 -7.440 -6.534 1.00 0.00 C ATOM 251 O GLU A 16 9.577 -7.428 -7.244 1.00 0.00 O ATOM 252 CB GLU A 16 6.515 -6.405 -7.553 1.00 0.00 C ATOM 253 CG GLU A 16 5.191 -6.922 -6.996 1.00 0.00 C ATOM 254 CD GLU A 16 5.256 -8.349 -6.491 1.00 0.00 C ATOM 255 OE1 GLU A 16 5.704 -9.234 -7.246 1.00 0.00 O ATOM 256 OE2 GLU A 16 4.842 -8.597 -5.343 1.00 0.00 O ATOM 0 H GLU A 16 8.531 -4.870 -7.812 1.00 0.00 H new ATOM 0 HA GLU A 16 7.171 -6.157 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.339 -5.441 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.857 -7.089 -8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.872 -6.272 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.430 -6.856 -7.773 1.00 0.00 H new ATOM 354 N PHE A 23 7.959 1.825 -13.133 1.00 0.00 N ATOM 355 CA PHE A 23 7.505 3.194 -12.921 1.00 0.00 C ATOM 356 C PHE A 23 5.989 3.295 -13.034 1.00 0.00 C ATOM 357 O PHE A 23 5.414 3.085 -14.106 1.00 0.00 O ATOM 358 CB PHE A 23 8.144 4.155 -13.931 1.00 0.00 C ATOM 359 CG PHE A 23 9.627 4.328 -13.778 1.00 0.00 C ATOM 360 CD1 PHE A 23 10.148 5.087 -12.744 1.00 0.00 C ATOM 361 CD2 PHE A 23 10.501 3.746 -14.681 1.00 0.00 C ATOM 362 CE1 PHE A 23 11.511 5.261 -12.612 1.00 0.00 C ATOM 363 CE2 PHE A 23 11.865 3.915 -14.553 1.00 0.00 C ATOM 364 CZ PHE A 23 12.370 4.673 -13.517 1.00 0.00 C ATOM 0 HA PHE A 23 7.811 3.476 -11.914 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.936 3.794 -14.938 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.666 5.130 -13.837 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.480 5.549 -12.032 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.111 3.153 -15.495 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.904 5.857 -11.801 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.536 3.454 -15.263 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.437 4.806 -13.415 1.00 0.00 H new ATOM 374 N LEU A 24 5.348 3.622 -11.926 1.00 0.00 N ATOM 375 CA LEU A 24 3.910 3.820 -11.906 1.00 0.00 C ATOM 376 C LEU A 24 3.546 4.994 -11.006 1.00 0.00 C ATOM 377 O LEU A 24 4.319 5.379 -10.130 1.00 0.00 O ATOM 378 CB LEU A 24 3.174 2.546 -11.467 1.00 0.00 C ATOM 379 CG LEU A 24 3.704 1.854 -10.208 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.599 1.044 -9.548 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.872 0.941 -10.554 1.00 0.00 C ATOM 0 H LEU A 24 5.804 3.757 -11.024 1.00 0.00 H new ATOM 0 HA LEU A 24 3.589 4.050 -12.922 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.126 2.796 -11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.207 1.831 -12.289 1.00 0.00 H new ATOM 0 HG LEU A 24 4.048 2.621 -9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.989 0.557 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.778 1.706 -9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.237 0.288 -10.244 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.237 0.457 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.543 0.182 -11.263 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.674 1.529 -10.999 1.00 0.00 H new ATOM 393 N THR A 25 2.376 5.566 -11.242 1.00 0.00 N ATOM 394 CA THR A 25 1.941 6.742 -10.507 1.00 0.00 C ATOM 395 C THR A 25 1.356 6.373 -9.148 1.00 0.00 C ATOM 396 O THR A 25 1.158 5.195 -8.839 1.00 0.00 O ATOM 397 CB THR A 25 0.895 7.547 -11.303 1.00 0.00 C ATOM 398 OG1 THR A 25 -0.199 6.702 -11.676 1.00 0.00 O ATOM 399 CG2 THR A 25 1.513 8.163 -12.548 1.00 0.00 C ATOM 0 H THR A 25 1.709 5.234 -11.939 1.00 0.00 H new ATOM 0 HA THR A 25 2.828 7.357 -10.355 1.00 0.00 H new ATOM 0 HB THR A 25 0.530 8.351 -10.663 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.092 6.080 -12.375 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.753 8.725 -13.091 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.323 8.833 -12.259 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.906 7.373 -13.188 1.00 0.00 H new ATOM 407 N THR A 26 1.072 7.398 -8.355 1.00 0.00 N ATOM 408 CA THR A 26 0.505 7.237 -7.026 1.00 0.00 C ATOM 409 C THR A 26 -0.786 6.414 -7.053 1.00 0.00 C ATOM 410 O THR A 26 -1.023 5.591 -6.172 1.00 0.00 O ATOM 411 CB THR A 26 0.217 8.618 -6.414 1.00 0.00 C ATOM 412 OG1 THR A 26 1.258 9.529 -6.795 1.00 0.00 O ATOM 413 CG2 THR A 26 0.140 8.542 -4.897 1.00 0.00 C ATOM 0 H THR A 26 1.230 8.370 -8.619 1.00 0.00 H new ATOM 0 HA THR A 26 1.234 6.701 -6.418 1.00 0.00 H new ATOM 0 HB THR A 26 -0.746 8.968 -6.787 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.168 10.361 -6.285 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.065 9.533 -4.493 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.659 7.860 -4.607 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.089 8.178 -4.502 1.00 0.00 H new ATOM 421 N ILE A 27 -1.606 6.625 -8.079 1.00 0.00 N ATOM 422 CA ILE A 27 -2.881 5.920 -8.199 1.00 0.00 C ATOM 423 C ILE A 27 -2.655 4.444 -8.518 1.00 0.00 C ATOM 424 O ILE A 27 -3.326 3.568 -7.970 1.00 0.00 O ATOM 425 CB ILE A 27 -3.774 6.553 -9.291 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.092 8.008 -8.937 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.061 5.757 -9.477 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.790 8.181 -7.603 1.00 0.00 C ATOM 0 H ILE A 27 -1.412 7.277 -8.839 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.391 6.006 -7.239 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.226 6.531 -10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.164 8.579 -8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.719 8.433 -9.721 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.670 6.225 -10.251 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.818 4.737 -9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.617 5.740 -8.539 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.980 9.240 -7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.736 7.640 -7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.157 7.788 -6.807 1.00 0.00 H new ATOM 440 N GLU A 28 -1.695 4.178 -9.391 1.00 0.00 N ATOM 441 CA GLU A 28 -1.365 2.813 -9.766 1.00 0.00 C ATOM 442 C GLU A 28 -0.781 2.066 -8.570 1.00 0.00 C ATOM 443 O GLU A 28 -1.079 0.892 -8.350 1.00 0.00 O ATOM 444 CB GLU A 28 -0.376 2.820 -10.928 1.00 0.00 C ATOM 445 CG GLU A 28 -0.908 3.528 -12.162 1.00 0.00 C ATOM 446 CD GLU A 28 0.139 3.692 -13.241 1.00 0.00 C ATOM 447 OE1 GLU A 28 0.329 2.754 -14.039 1.00 0.00 O ATOM 448 OE2 GLU A 28 0.776 4.766 -13.297 1.00 0.00 O ATOM 0 H GLU A 28 -1.131 4.891 -9.853 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.273 2.300 -10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.547 3.304 -10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.123 1.792 -11.188 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.751 2.965 -12.563 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.286 4.510 -11.877 1.00 0.00 H new ATOM 455 N LEU A 29 0.048 2.763 -7.800 1.00 0.00 N ATOM 456 CA LEU A 29 0.597 2.220 -6.563 1.00 0.00 C ATOM 457 C LEU A 29 -0.524 1.950 -5.562 1.00 0.00 C ATOM 458 O LEU A 29 -0.561 0.897 -4.923 1.00 0.00 O ATOM 459 CB LEU A 29 1.620 3.195 -5.969 1.00 0.00 C ATOM 460 CG LEU A 29 2.168 2.820 -4.591 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.877 1.476 -4.633 1.00 0.00 C ATOM 462 CD2 LEU A 29 3.105 3.906 -4.092 1.00 0.00 C ATOM 0 H LEU A 29 0.356 3.712 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 29 1.099 1.278 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.457 3.282 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.159 4.180 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 29 1.331 2.732 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.257 1.234 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.176 0.705 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.707 1.525 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.491 3.631 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.935 4.019 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.563 4.849 -4.018 1.00 0.00 H new ATOM 474 N LEU A 30 -1.441 2.908 -5.452 1.00 0.00 N ATOM 475 CA LEU A 30 -2.601 2.785 -4.579 1.00 0.00 C ATOM 476 C LEU A 30 -3.381 1.516 -4.900 1.00 0.00 C ATOM 477 O LEU A 30 -3.695 0.734 -4.007 1.00 0.00 O ATOM 478 CB LEU A 30 -3.510 4.010 -4.737 1.00 0.00 C ATOM 479 CG LEU A 30 -3.716 4.845 -3.473 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.524 6.094 -3.791 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.409 4.021 -2.402 1.00 0.00 C ATOM 0 H LEU A 30 -1.399 3.789 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.253 2.728 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.092 4.653 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.484 3.674 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.741 5.151 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.663 6.679 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.992 6.693 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.497 5.806 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.549 4.629 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.380 3.689 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.797 3.153 -2.158 1.00 0.00 H new ATOM 493 N GLU A 31 -3.666 1.319 -6.185 1.00 0.00 N ATOM 494 CA GLU A 31 -4.401 0.146 -6.656 1.00 0.00 C ATOM 495 C GLU A 31 -3.714 -1.157 -6.257 1.00 0.00 C ATOM 496 O GLU A 31 -4.377 -2.125 -5.885 1.00 0.00 O ATOM 497 CB GLU A 31 -4.570 0.201 -8.175 1.00 0.00 C ATOM 498 CG GLU A 31 -5.652 1.164 -8.631 1.00 0.00 C ATOM 499 CD GLU A 31 -7.048 0.623 -8.385 1.00 0.00 C ATOM 500 OE1 GLU A 31 -7.536 0.693 -7.242 1.00 0.00 O ATOM 501 OE2 GLU A 31 -7.668 0.121 -9.345 1.00 0.00 O ATOM 0 H GLU A 31 -3.396 1.965 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.381 0.164 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.622 0.492 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.806 -0.798 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.535 2.112 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.527 1.370 -9.694 1.00 0.00 H new ATOM 508 N LYS A 32 -2.389 -1.186 -6.333 1.00 0.00 N ATOM 509 CA LYS A 32 -1.647 -2.376 -5.938 1.00 0.00 C ATOM 510 C LYS A 32 -1.750 -2.592 -4.433 1.00 0.00 C ATOM 511 O LYS A 32 -2.025 -3.703 -3.976 1.00 0.00 O ATOM 512 CB LYS A 32 -0.174 -2.283 -6.354 1.00 0.00 C ATOM 513 CG LYS A 32 0.041 -2.236 -7.861 1.00 0.00 C ATOM 514 CD LYS A 32 1.460 -2.641 -8.232 1.00 0.00 C ATOM 515 CE LYS A 32 1.670 -2.619 -9.738 1.00 0.00 C ATOM 516 NZ LYS A 32 2.920 -3.322 -10.135 1.00 0.00 N ATOM 0 H LYS A 32 -1.813 -0.410 -6.660 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.091 -3.228 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.264 -1.391 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.363 -3.140 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.669 -2.901 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.159 -1.229 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.169 -1.965 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.666 -3.641 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.818 -3.088 -10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.709 -1.586 -10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.026 -3.284 -11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.736 -2.859 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.873 -4.314 -9.828 1.00 0.00 H new ATOM 530 N LEU A 33 -1.555 -1.519 -3.673 1.00 0.00 N ATOM 531 CA LEU A 33 -1.605 -1.587 -2.218 1.00 0.00 C ATOM 532 C LEU A 33 -2.985 -1.995 -1.716 1.00 0.00 C ATOM 533 O LEU A 33 -3.110 -2.941 -0.960 1.00 0.00 O ATOM 534 CB LEU A 33 -1.195 -0.251 -1.598 1.00 0.00 C ATOM 535 CG LEU A 33 0.311 -0.005 -1.526 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.594 1.390 -0.997 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.975 -1.056 -0.646 1.00 0.00 C ATOM 0 H LEU A 33 -1.360 -0.589 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.896 -2.355 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.652 0.554 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.605 -0.195 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 33 0.727 -0.082 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.671 1.550 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.145 2.129 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.169 1.494 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.048 -0.869 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.557 -1.005 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.795 -2.047 -1.064 1.00 0.00 H new ATOM 549 N LYS A 34 -4.030 -1.305 -2.155 1.00 0.00 N ATOM 550 CA LYS A 34 -5.377 -1.598 -1.666 1.00 0.00 C ATOM 551 C LYS A 34 -5.791 -3.037 -1.990 1.00 0.00 C ATOM 552 O LYS A 34 -6.631 -3.614 -1.303 1.00 0.00 O ATOM 553 CB LYS A 34 -6.393 -0.592 -2.220 1.00 0.00 C ATOM 554 CG LYS A 34 -6.380 -0.452 -3.733 1.00 0.00 C ATOM 555 CD LYS A 34 -7.125 0.798 -4.179 1.00 0.00 C ATOM 556 CE LYS A 34 -8.628 0.582 -4.202 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.027 -0.386 -5.253 1.00 0.00 N ATOM 0 H LYS A 34 -3.977 -0.549 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.363 -1.499 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.392 -0.892 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.198 0.384 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.350 -0.410 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.838 -1.332 -4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.887 1.622 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.785 1.089 -5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.958 0.219 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.130 1.534 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.027 -0.240 -5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.439 -0.242 -6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.895 -1.355 -4.900 1.00 0.00 H new ATOM 571 N GLY A 35 -5.180 -3.616 -3.018 1.00 0.00 N ATOM 572 CA GLY A 35 -5.449 -5.000 -3.356 1.00 0.00 C ATOM 573 C GLY A 35 -4.775 -5.969 -2.398 1.00 0.00 C ATOM 574 O GLY A 35 -5.406 -6.890 -1.873 1.00 0.00 O ATOM 0 H GLY A 35 -4.503 -3.151 -3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.525 -5.172 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.105 -5.197 -4.371 1.00 0.00 H new ATOM 578 N GLU A 36 -3.493 -5.767 -2.150 1.00 0.00 N ATOM 579 CA GLU A 36 -2.772 -6.649 -1.253 1.00 0.00 C ATOM 580 C GLU A 36 -3.196 -6.401 0.195 1.00 0.00 C ATOM 581 O GLU A 36 -3.332 -7.340 0.974 1.00 0.00 O ATOM 582 CB GLU A 36 -1.255 -6.512 -1.451 1.00 0.00 C ATOM 583 CG GLU A 36 -0.712 -5.100 -1.324 1.00 0.00 C ATOM 584 CD GLU A 36 -0.448 -4.701 0.111 1.00 0.00 C ATOM 585 OE1 GLU A 36 0.083 -5.538 0.866 1.00 0.00 O ATOM 586 OE2 GLU A 36 -0.765 -3.553 0.478 1.00 0.00 O ATOM 0 H GLU A 36 -2.937 -5.011 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.028 -7.681 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.751 -7.145 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.997 -6.896 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.213 -5.018 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.422 -4.401 -1.766 1.00 0.00 H new ATOM 593 N LEU A 37 -3.464 -5.144 0.521 1.00 0.00 N ATOM 594 CA LEU A 37 -3.871 -4.755 1.865 1.00 0.00 C ATOM 595 C LEU A 37 -5.231 -5.347 2.226 1.00 0.00 C ATOM 596 O LEU A 37 -5.463 -5.719 3.376 1.00 0.00 O ATOM 597 CB LEU A 37 -3.912 -3.230 1.982 1.00 0.00 C ATOM 598 CG LEU A 37 -4.215 -2.686 3.377 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.136 -3.102 4.363 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.343 -1.175 3.338 1.00 0.00 C ATOM 0 H LEU A 37 -3.406 -4.367 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.136 -5.149 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.951 -2.832 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.665 -2.850 1.291 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.163 -3.107 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.372 -2.704 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.088 -4.190 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.173 -2.711 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.559 -0.802 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.409 -0.740 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.153 -0.896 2.664 1.00 0.00 H new ATOM 612 N GLU A 38 -6.138 -5.433 1.253 1.00 0.00 N ATOM 613 CA GLU A 38 -7.430 -6.056 1.507 1.00 0.00 C ATOM 614 C GLU A 38 -7.248 -7.557 1.714 1.00 0.00 C ATOM 615 O GLU A 38 -8.031 -8.190 2.424 1.00 0.00 O ATOM 616 CB GLU A 38 -8.434 -5.792 0.376 1.00 0.00 C ATOM 617 CG GLU A 38 -8.073 -6.463 -0.934 1.00 0.00 C ATOM 618 CD GLU A 38 -9.179 -6.399 -1.961 1.00 0.00 C ATOM 619 OE1 GLU A 38 -9.236 -5.414 -2.724 1.00 0.00 O ATOM 620 OE2 GLU A 38 -9.987 -7.349 -2.021 1.00 0.00 O ATOM 0 H GLU A 38 -6.004 -5.087 0.303 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.841 -5.608 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.419 -6.137 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.509 -4.717 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.179 -5.991 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.823 -7.507 -0.743 1.00 0.00 H new ATOM 627 N LYS A 39 -6.224 -8.130 1.074 1.00 0.00 N ATOM 628 CA LYS A 39 -5.875 -9.530 1.306 1.00 0.00 C ATOM 629 C LYS A 39 -5.251 -9.704 2.688 1.00 0.00 C ATOM 630 O LYS A 39 -5.534 -10.679 3.385 1.00 0.00 O ATOM 631 CB LYS A 39 -4.910 -10.036 0.234 1.00 0.00 C ATOM 632 CG LYS A 39 -5.475 -9.965 -1.172 1.00 0.00 C ATOM 633 CD LYS A 39 -4.501 -10.518 -2.192 1.00 0.00 C ATOM 634 CE LYS A 39 -5.051 -10.397 -3.602 1.00 0.00 C ATOM 635 NZ LYS A 39 -6.380 -11.052 -3.741 1.00 0.00 N ATOM 0 H LYS A 39 -5.629 -7.650 0.399 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.792 -10.117 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.992 -9.451 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.641 -11.068 0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.409 -10.525 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.712 -8.930 -1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.554 -9.983 -2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.293 -11.564 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.137 -9.344 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.350 -10.847 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.429 -11.547 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.513 -11.736 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.128 -10.331 -3.697 1.00 0.00 H new ATOM 649 N ILE A 40 -4.400 -8.757 3.075 1.00 0.00 N ATOM 650 CA ILE A 40 -3.818 -8.750 4.414 1.00 0.00 C ATOM 651 C ILE A 40 -4.924 -8.679 5.469 1.00 0.00 C ATOM 652 O ILE A 40 -5.881 -7.913 5.330 1.00 0.00 O ATOM 653 CB ILE A 40 -2.803 -7.579 4.605 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.374 -8.035 4.277 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.852 -7.015 6.020 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.118 -8.292 2.809 1.00 0.00 C ATOM 0 H ILE A 40 -4.098 -7.985 2.480 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.264 -9.680 4.538 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.093 -6.788 3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.675 -7.276 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.160 -8.947 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.132 -6.202 6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.853 -6.637 6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.606 -7.801 6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.085 -8.610 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.789 -9.074 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.296 -7.378 2.243 1.00 0.00 H new ATOM 668 N SER A 41 -4.802 -9.504 6.502 1.00 0.00 N ATOM 669 CA SER A 41 -5.793 -9.557 7.568 1.00 0.00 C ATOM 670 C SER A 41 -5.964 -8.195 8.234 1.00 0.00 C ATOM 671 O SER A 41 -4.986 -7.513 8.546 1.00 0.00 O ATOM 672 CB SER A 41 -5.388 -10.599 8.611 1.00 0.00 C ATOM 673 OG SER A 41 -6.318 -10.651 9.682 1.00 0.00 O ATOM 0 H SER A 41 -4.021 -10.149 6.623 1.00 0.00 H new ATOM 0 HA SER A 41 -6.748 -9.841 7.125 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.319 -11.579 8.140 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.397 -10.361 8.999 1.00 0.00 H new ATOM 0 HG SER A 41 -6.032 -11.327 10.331 1.00 0.00 H new ATOM 679 N PHE A 42 -7.215 -7.813 8.462 1.00 0.00 N ATOM 680 CA PHE A 42 -7.526 -6.544 9.108 1.00 0.00 C ATOM 681 C PHE A 42 -7.086 -6.583 10.571 1.00 0.00 C ATOM 682 O PHE A 42 -6.933 -5.551 11.218 1.00 0.00 O ATOM 683 CB PHE A 42 -9.026 -6.256 9.002 1.00 0.00 C ATOM 684 CG PHE A 42 -9.397 -4.826 9.290 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.124 -3.832 8.365 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.025 -4.479 10.475 1.00 0.00 C ATOM 687 CE1 PHE A 42 -9.470 -2.518 8.616 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.371 -3.165 10.732 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.094 -2.184 9.801 1.00 0.00 C ATOM 0 H PHE A 42 -8.033 -8.366 8.208 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.985 -5.743 8.605 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.365 -6.513 7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.560 -6.906 9.695 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.635 -4.087 7.436 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.247 -5.243 11.206 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.252 -1.753 7.886 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.858 -2.906 11.661 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.365 -1.158 9.999 1.00 0.00 H new ATOM 699 N SER A 43 -6.869 -7.791 11.077 1.00 0.00 N ATOM 700 CA SER A 43 -6.398 -7.981 12.439 1.00 0.00 C ATOM 701 C SER A 43 -4.875 -8.118 12.461 1.00 0.00 C ATOM 702 O SER A 43 -4.273 -8.398 13.501 1.00 0.00 O ATOM 703 CB SER A 43 -7.047 -9.231 13.037 1.00 0.00 C ATOM 704 OG SER A 43 -8.456 -9.211 12.857 1.00 0.00 O ATOM 0 H SER A 43 -7.014 -8.658 10.559 1.00 0.00 H new ATOM 0 HA SER A 43 -6.676 -7.112 13.035 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.630 -10.122 12.567 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.814 -9.293 14.100 1.00 0.00 H new ATOM 0 HG SER A 43 -8.847 -10.021 13.246 1.00 0.00 H new ATOM 710 N ASP A 44 -4.256 -7.926 11.303 1.00 0.00 N ATOM 711 CA ASP A 44 -2.810 -8.059 11.177 1.00 0.00 C ATOM 712 C ASP A 44 -2.166 -6.722 10.811 1.00 0.00 C ATOM 713 O ASP A 44 -1.000 -6.477 11.125 1.00 0.00 O ATOM 714 CB ASP A 44 -2.476 -9.116 10.119 1.00 0.00 C ATOM 715 CG ASP A 44 -0.993 -9.412 10.028 1.00 0.00 C ATOM 716 OD1 ASP A 44 -0.482 -10.167 10.882 1.00 0.00 O ATOM 717 OD2 ASP A 44 -0.336 -8.911 9.096 1.00 0.00 O ATOM 0 H ASP A 44 -4.733 -7.677 10.437 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.407 -8.374 12.140 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.011 -10.037 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.834 -8.776 9.147 1.00 0.00 H new ATOM 722 N LEU A 45 -2.936 -5.860 10.156 1.00 0.00 N ATOM 723 CA LEU A 45 -2.437 -4.561 9.715 1.00 0.00 C ATOM 724 C LEU A 45 -2.391 -3.553 10.874 1.00 0.00 C ATOM 725 O LEU A 45 -3.029 -3.762 11.910 1.00 0.00 O ATOM 726 CB LEU A 45 -3.288 -4.043 8.538 1.00 0.00 C ATOM 727 CG LEU A 45 -4.810 -4.163 8.689 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.360 -3.096 9.622 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.481 -4.076 7.326 1.00 0.00 C ATOM 0 H LEU A 45 -3.912 -6.038 9.918 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.411 -4.682 9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.043 -2.993 8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.991 -4.582 7.639 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.030 -5.135 9.131 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.441 -3.209 9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.905 -3.204 10.607 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.129 -2.109 9.222 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.561 -4.162 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.243 -3.118 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.121 -4.885 6.691 1.00 0.00 H new ATOM 741 N PRO A 46 -1.601 -2.467 10.718 1.00 0.00 N ATOM 742 CA PRO A 46 -1.443 -1.415 11.743 1.00 0.00 C ATOM 743 C PRO A 46 -2.771 -0.846 12.257 1.00 0.00 C ATOM 744 O PRO A 46 -3.792 -0.881 11.567 1.00 0.00 O ATOM 745 CB PRO A 46 -0.659 -0.329 11.006 1.00 0.00 C ATOM 746 CG PRO A 46 0.112 -1.061 9.968 1.00 0.00 C ATOM 747 CD PRO A 46 -0.767 -2.197 9.531 1.00 0.00 C ATOM 0 HA PRO A 46 -0.955 -1.807 12.635 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.327 0.407 10.558 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.002 0.211 11.683 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.355 -0.409 9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.056 -1.429 10.369 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.374 -1.925 8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.181 -3.071 9.246 1.00 0.00 H new ATOM 755 N LEU A 47 -2.735 -0.285 13.462 1.00 0.00 N ATOM 756 CA LEU A 47 -3.941 0.197 14.132 1.00 0.00 C ATOM 757 C LEU A 47 -4.510 1.443 13.454 1.00 0.00 C ATOM 758 O LEU A 47 -5.721 1.660 13.469 1.00 0.00 O ATOM 759 CB LEU A 47 -3.655 0.486 15.607 1.00 0.00 C ATOM 760 CG LEU A 47 -4.875 0.873 16.447 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.900 -0.253 16.459 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.453 1.221 17.861 1.00 0.00 C ATOM 0 H LEU A 47 -1.878 -0.152 13.999 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.690 -0.592 14.059 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.195 -0.397 16.050 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.923 1.291 15.667 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.338 1.751 15.996 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.759 0.043 17.062 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.226 -0.459 15.440 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.450 -1.150 16.885 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.331 1.494 18.446 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.966 0.359 18.318 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.758 2.060 17.837 1.00 0.00 H new ATOM 774 N GLU A 48 -3.645 2.261 12.860 1.00 0.00 N ATOM 775 CA GLU A 48 -4.101 3.444 12.132 1.00 0.00 C ATOM 776 C GLU A 48 -5.057 3.044 11.014 1.00 0.00 C ATOM 777 O GLU A 48 -6.039 3.737 10.738 1.00 0.00 O ATOM 778 CB GLU A 48 -2.922 4.225 11.544 1.00 0.00 C ATOM 779 CG GLU A 48 -2.069 4.933 12.583 1.00 0.00 C ATOM 780 CD GLU A 48 -0.967 5.771 11.964 1.00 0.00 C ATOM 781 OE1 GLU A 48 -1.229 6.939 11.600 1.00 0.00 O ATOM 782 OE2 GLU A 48 0.168 5.272 11.841 1.00 0.00 O ATOM 0 H GLU A 48 -2.634 2.129 12.867 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.622 4.087 12.841 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.292 3.539 10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.304 4.963 10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.705 5.572 13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.626 4.193 13.249 1.00 0.00 H new ATOM 789 N LEU A 49 -4.782 1.903 10.396 1.00 0.00 N ATOM 790 CA LEU A 49 -5.601 1.418 9.297 1.00 0.00 C ATOM 791 C LEU A 49 -6.923 0.867 9.825 1.00 0.00 C ATOM 792 O LEU A 49 -7.919 0.820 9.112 1.00 0.00 O ATOM 793 CB LEU A 49 -4.847 0.342 8.511 1.00 0.00 C ATOM 794 CG LEU A 49 -3.440 0.737 8.045 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.848 -0.350 7.171 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.461 2.062 7.297 1.00 0.00 C ATOM 0 H LEU A 49 -3.998 1.297 10.638 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.817 2.250 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.769 -0.551 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.439 0.072 7.637 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.815 0.858 8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.850 -0.054 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.786 -1.279 7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.482 -0.500 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.450 2.316 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.106 1.976 6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.842 2.844 7.953 1.00 0.00 H new ATOM 808 N GLN A 50 -6.921 0.475 11.094 1.00 0.00 N ATOM 809 CA GLN A 50 -8.122 -0.038 11.741 1.00 0.00 C ATOM 810 C GLN A 50 -9.033 1.105 12.177 1.00 0.00 C ATOM 811 O GLN A 50 -10.223 0.905 12.433 1.00 0.00 O ATOM 812 CB GLN A 50 -7.750 -0.924 12.933 1.00 0.00 C ATOM 813 CG GLN A 50 -7.082 -2.224 12.518 1.00 0.00 C ATOM 814 CD GLN A 50 -6.678 -3.094 13.691 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.467 -3.900 14.188 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.435 -2.965 14.119 1.00 0.00 N ATOM 0 H GLN A 50 -6.098 0.503 11.696 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.668 -0.646 11.020 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.081 -0.373 13.594 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.649 -1.150 13.506 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.762 -2.785 11.877 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.198 -1.996 11.923 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.813 -2.286 13.681 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.098 -3.545 14.888 1.00 0.00 H new ATOM 825 N LYS A 51 -8.467 2.303 12.280 1.00 0.00 N ATOM 826 CA LYS A 51 -9.254 3.496 12.544 1.00 0.00 C ATOM 827 C LYS A 51 -9.862 4.016 11.248 1.00 0.00 C ATOM 828 O LYS A 51 -10.939 4.618 11.243 1.00 0.00 O ATOM 829 CB LYS A 51 -8.393 4.577 13.195 1.00 0.00 C ATOM 830 CG LYS A 51 -7.951 4.238 14.607 1.00 0.00 C ATOM 831 CD LYS A 51 -7.074 5.333 15.185 1.00 0.00 C ATOM 832 CE LYS A 51 -6.810 5.113 16.665 1.00 0.00 C ATOM 833 NZ LYS A 51 -6.070 6.246 17.277 1.00 0.00 N ATOM 0 H LYS A 51 -7.465 2.471 12.184 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.057 3.236 13.234 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.510 4.746 12.578 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.953 5.512 13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.826 4.097 15.241 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.405 3.295 14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.127 5.364 14.646 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.555 6.300 15.040 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.758 4.977 17.185 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.239 4.194 16.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.912 6.053 18.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.153 6.361 16.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.625 7.119 17.174 1.00 0.00 H new ATOM 847 N LEU A 52 -9.161 3.781 10.150 1.00 0.00 N ATOM 848 CA LEU A 52 -9.660 4.148 8.835 1.00 0.00 C ATOM 849 C LEU A 52 -10.725 3.155 8.388 1.00 0.00 C ATOM 850 O LEU A 52 -10.644 1.962 8.683 1.00 0.00 O ATOM 851 CB LEU A 52 -8.510 4.204 7.826 1.00 0.00 C ATOM 852 CG LEU A 52 -7.404 5.206 8.164 1.00 0.00 C ATOM 853 CD1 LEU A 52 -6.236 5.062 7.202 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.948 6.625 8.130 1.00 0.00 C ATOM 0 H LEU A 52 -8.243 3.337 10.144 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.111 5.139 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.068 3.211 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.918 4.452 6.846 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.045 4.995 9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.461 5.784 7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.830 4.053 7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.578 5.246 6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.150 7.327 8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.333 6.843 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.752 6.724 8.859 1.00 0.00 H new ATOM 866 N ASP A 53 -11.739 3.650 7.701 1.00 0.00 N ATOM 867 CA ASP A 53 -12.842 2.803 7.277 1.00 0.00 C ATOM 868 C ASP A 53 -12.758 2.525 5.783 1.00 0.00 C ATOM 869 O ASP A 53 -13.252 1.504 5.300 1.00 0.00 O ATOM 870 CB ASP A 53 -14.183 3.455 7.626 1.00 0.00 C ATOM 871 CG ASP A 53 -15.351 2.500 7.480 1.00 0.00 C ATOM 872 OD1 ASP A 53 -15.490 1.600 8.333 1.00 0.00 O ATOM 873 OD2 ASP A 53 -16.139 2.648 6.522 1.00 0.00 O ATOM 0 H ASP A 53 -11.823 4.629 7.425 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.771 1.854 7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.147 3.825 8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.342 4.319 6.980 1.00 0.00 H new ATOM 878 N SER A 54 -12.114 3.429 5.056 1.00 0.00 N ATOM 879 CA SER A 54 -11.956 3.278 3.618 1.00 0.00 C ATOM 880 C SER A 54 -10.663 2.538 3.285 1.00 0.00 C ATOM 881 O SER A 54 -9.608 2.815 3.859 1.00 0.00 O ATOM 882 CB SER A 54 -11.968 4.648 2.934 1.00 0.00 C ATOM 883 OG SER A 54 -13.226 5.282 3.076 1.00 0.00 O ATOM 0 H SER A 54 -11.693 4.275 5.440 1.00 0.00 H new ATOM 0 HA SER A 54 -12.794 2.689 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.190 5.279 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.735 4.531 1.876 1.00 0.00 H new ATOM 0 HG SER A 54 -13.204 6.155 2.631 1.00 0.00 H new ATOM 889 N LEU A 55 -10.756 1.602 2.351 1.00 0.00 N ATOM 890 CA LEU A 55 -9.602 0.831 1.905 1.00 0.00 C ATOM 891 C LEU A 55 -8.552 1.733 1.240 1.00 0.00 C ATOM 892 O LEU A 55 -7.375 1.675 1.604 1.00 0.00 O ATOM 893 CB LEU A 55 -10.043 -0.283 0.949 1.00 0.00 C ATOM 894 CG LEU A 55 -8.920 -1.181 0.427 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.255 -1.936 1.568 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.462 -2.147 -0.612 1.00 0.00 C ATOM 0 H LEU A 55 -11.628 1.356 1.883 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.140 0.376 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.777 -0.907 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.548 0.171 0.097 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.165 -0.551 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.460 -2.568 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.833 -1.225 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.995 -2.557 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.654 -2.781 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.236 -2.769 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.886 -1.586 -1.445 1.00 0.00 H new ATOM 908 N PRO A 56 -8.945 2.585 0.261 1.00 0.00 N ATOM 909 CA PRO A 56 -8.011 3.517 -0.380 1.00 0.00 C ATOM 910 C PRO A 56 -7.330 4.442 0.627 1.00 0.00 C ATOM 911 O PRO A 56 -6.161 4.778 0.469 1.00 0.00 O ATOM 912 CB PRO A 56 -8.888 4.329 -1.345 1.00 0.00 C ATOM 913 CG PRO A 56 -10.293 4.075 -0.915 1.00 0.00 C ATOM 914 CD PRO A 56 -10.296 2.698 -0.325 1.00 0.00 C ATOM 0 HA PRO A 56 -7.200 2.986 -0.878 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.648 5.391 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.730 4.015 -2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.618 4.815 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.978 4.140 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.074 2.584 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.472 1.935 -1.083 1.00 0.00 H new ATOM 922 N ALA A 57 -8.058 4.825 1.674 1.00 0.00 N ATOM 923 CA ALA A 57 -7.525 5.726 2.693 1.00 0.00 C ATOM 924 C ALA A 57 -6.375 5.071 3.452 1.00 0.00 C ATOM 925 O ALA A 57 -5.375 5.719 3.766 1.00 0.00 O ATOM 926 CB ALA A 57 -8.625 6.151 3.655 1.00 0.00 C ATOM 0 H ALA A 57 -9.019 4.525 1.839 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.138 6.614 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.211 6.822 4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.412 6.666 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.041 5.270 4.144 1.00 0.00 H new ATOM 932 N GLN A 58 -6.524 3.782 3.736 1.00 0.00 N ATOM 933 CA GLN A 58 -5.486 3.018 4.422 1.00 0.00 C ATOM 934 C GLN A 58 -4.197 3.010 3.606 1.00 0.00 C ATOM 935 O GLN A 58 -3.137 3.429 4.084 1.00 0.00 O ATOM 936 CB GLN A 58 -5.962 1.584 4.669 1.00 0.00 C ATOM 937 CG GLN A 58 -7.100 1.476 5.670 1.00 0.00 C ATOM 938 CD GLN A 58 -7.666 0.073 5.752 1.00 0.00 C ATOM 939 OE1 GLN A 58 -7.179 -0.763 6.506 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.708 -0.190 4.980 1.00 0.00 N ATOM 0 H GLN A 58 -7.357 3.242 3.501 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.285 3.494 5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.282 1.150 3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.121 0.989 5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.744 1.779 6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.893 2.169 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.084 0.533 4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.136 -1.116 4.999 1.00 0.00 H new ATOM 949 N ALA A 59 -4.303 2.557 2.362 1.00 0.00 N ATOM 950 CA ALA A 59 -3.153 2.484 1.470 1.00 0.00 C ATOM 951 C ALA A 59 -2.599 3.876 1.176 1.00 0.00 C ATOM 952 O ALA A 59 -1.393 4.054 0.998 1.00 0.00 O ATOM 953 CB ALA A 59 -3.535 1.777 0.180 1.00 0.00 C ATOM 0 H ALA A 59 -5.177 2.234 1.948 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.370 1.910 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.668 1.728 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.876 0.767 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.335 2.328 -0.314 1.00 0.00 H new ATOM 959 N GLN A 60 -3.485 4.864 1.138 1.00 0.00 N ATOM 960 CA GLN A 60 -3.082 6.245 0.910 1.00 0.00 C ATOM 961 C GLN A 60 -2.192 6.740 2.044 1.00 0.00 C ATOM 962 O GLN A 60 -1.242 7.481 1.808 1.00 0.00 O ATOM 963 CB GLN A 60 -4.309 7.154 0.769 1.00 0.00 C ATOM 964 CG GLN A 60 -3.970 8.612 0.483 1.00 0.00 C ATOM 965 CD GLN A 60 -3.224 8.800 -0.827 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.832 8.993 -1.877 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.901 8.746 -0.775 1.00 0.00 N ATOM 0 H GLN A 60 -4.489 4.733 1.262 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.515 6.280 -0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.940 6.774 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.895 7.101 1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.890 9.195 0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.365 9.006 1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.432 8.584 0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.352 8.867 -1.626 1.00 0.00 H new ATOM 976 N HIS A 61 -2.495 6.320 3.270 1.00 0.00 N ATOM 977 CA HIS A 61 -1.710 6.731 4.432 1.00 0.00 C ATOM 978 C HIS A 61 -0.344 6.048 4.427 1.00 0.00 C ATOM 979 O HIS A 61 0.628 6.592 4.951 1.00 0.00 O ATOM 980 CB HIS A 61 -2.463 6.439 5.735 1.00 0.00 C ATOM 981 CG HIS A 61 -1.754 6.917 6.973 1.00 0.00 C ATOM 982 ND1 HIS A 61 -1.326 8.219 7.157 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.408 6.252 8.101 1.00 0.00 C ATOM 984 CE1 HIS A 61 -0.754 8.327 8.342 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.793 7.149 8.938 1.00 0.00 N ATOM 0 H HIS A 61 -3.275 5.698 3.484 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.553 7.808 4.372 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.446 6.908 5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.627 5.364 5.815 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.584 5.206 8.305 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.326 9.228 8.755 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.427 6.940 9.867 1.00 0.00 H new ATOM 994 N LEU A 62 -0.275 4.858 3.834 1.00 0.00 N ATOM 995 CA LEU A 62 1.006 4.179 3.636 1.00 0.00 C ATOM 996 C LEU A 62 1.910 5.020 2.742 1.00 0.00 C ATOM 997 O LEU A 62 3.069 5.284 3.072 1.00 0.00 O ATOM 998 CB LEU A 62 0.803 2.795 3.014 1.00 0.00 C ATOM 999 CG LEU A 62 0.162 1.749 3.930 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.169 0.488 3.148 1.00 0.00 C ATOM 1001 CD2 LEU A 62 1.089 1.421 5.094 1.00 0.00 C ATOM 0 H LEU A 62 -1.085 4.346 3.484 1.00 0.00 H new ATOM 0 HA LEU A 62 1.478 4.052 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.182 2.903 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.771 2.419 2.683 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.764 2.163 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.624 -0.245 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.866 0.730 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.745 0.073 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.618 0.676 5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.030 1.027 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.283 2.325 5.671 1.00 0.00 H new ATOM 1013 N ILE A 63 1.359 5.451 1.612 1.00 0.00 N ATOM 1014 CA ILE A 63 2.070 6.322 0.681 1.00 0.00 C ATOM 1015 C ILE A 63 2.315 7.689 1.318 1.00 0.00 C ATOM 1016 O ILE A 63 3.339 8.330 1.080 1.00 0.00 O ATOM 1017 CB ILE A 63 1.265 6.503 -0.629 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.945 5.139 -1.249 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.033 7.372 -1.620 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.033 5.214 -2.402 1.00 0.00 C ATOM 0 H ILE A 63 0.413 5.209 1.316 1.00 0.00 H new ATOM 0 HA ILE A 63 3.026 5.854 0.446 1.00 0.00 H new ATOM 0 HB ILE A 63 0.328 7.006 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.871 4.681 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.536 4.485 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.449 7.486 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.214 8.353 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.986 6.899 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.213 4.212 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.973 5.643 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.382 5.841 -3.191 1.00 0.00 H new ATOM 1032 N ASP A 64 1.356 8.117 2.127 1.00 0.00 N ATOM 1033 CA ASP A 64 1.430 9.388 2.845 1.00 0.00 C ATOM 1034 C ASP A 64 2.653 9.438 3.751 1.00 0.00 C ATOM 1035 O ASP A 64 3.510 10.310 3.603 1.00 0.00 O ATOM 1036 CB ASP A 64 0.149 9.581 3.662 1.00 0.00 C ATOM 1037 CG ASP A 64 0.199 10.766 4.601 1.00 0.00 C ATOM 1038 OD1 ASP A 64 0.608 11.859 4.169 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -0.206 10.612 5.775 1.00 0.00 O ATOM 0 H ASP A 64 0.500 7.592 2.307 1.00 0.00 H new ATOM 0 HA ASP A 64 1.525 10.196 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.692 9.705 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.041 8.678 4.241 1.00 0.00 H new ATOM 1044 N THR A 65 2.741 8.495 4.677 1.00 0.00 N ATOM 1045 CA THR A 65 3.882 8.424 5.570 1.00 0.00 C ATOM 1046 C THR A 65 3.985 7.051 6.236 1.00 0.00 C ATOM 1047 O THR A 65 3.587 6.853 7.384 1.00 0.00 O ATOM 1048 CB THR A 65 3.856 9.555 6.634 1.00 0.00 C ATOM 1049 OG1 THR A 65 4.934 9.399 7.566 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.529 9.599 7.382 1.00 0.00 C ATOM 0 H THR A 65 2.038 7.772 4.828 1.00 0.00 H new ATOM 0 HA THR A 65 4.773 8.570 4.959 1.00 0.00 H new ATOM 0 HB THR A 65 3.975 10.499 6.102 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.902 10.121 8.227 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.552 10.404 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.719 9.776 6.675 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.366 8.648 7.890 1.00 0.00 H new ATOM 1058 N SER A 66 4.478 6.088 5.478 1.00 0.00 N ATOM 1059 CA SER A 66 4.798 4.776 6.009 1.00 0.00 C ATOM 1060 C SER A 66 5.927 4.156 5.196 1.00 0.00 C ATOM 1061 O SER A 66 6.404 4.755 4.230 1.00 0.00 O ATOM 1062 CB SER A 66 3.567 3.862 5.992 1.00 0.00 C ATOM 1063 OG SER A 66 2.532 4.373 6.820 1.00 0.00 O ATOM 0 H SER A 66 4.667 6.193 4.481 1.00 0.00 H new ATOM 0 HA SER A 66 5.119 4.889 7.045 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.201 3.760 4.970 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.847 2.865 6.331 1.00 0.00 H new ATOM 0 HG SER A 66 2.825 5.214 7.229 1.00 0.00 H new ATOM 1069 N CYS A 67 6.362 2.974 5.597 1.00 0.00 N ATOM 1070 CA CYS A 67 7.396 2.257 4.873 1.00 0.00 C ATOM 1071 C CYS A 67 6.770 1.134 4.049 1.00 0.00 C ATOM 1072 O CYS A 67 5.630 1.252 3.599 1.00 0.00 O ATOM 1073 CB CYS A 67 8.432 1.708 5.857 1.00 0.00 C ATOM 1074 SG CYS A 67 9.308 2.988 6.787 1.00 0.00 S ATOM 0 H CYS A 67 6.013 2.489 6.424 1.00 0.00 H new ATOM 0 HA CYS A 67 7.902 2.939 4.189 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.934 1.039 6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.159 1.110 5.308 1.00 0.00 H new ATOM 0 HG CYS A 67 10.161 2.431 7.594 1.00 0.00 H new ATOM 1080 N GLU A 68 7.497 0.044 3.869 1.00 0.00 N ATOM 1081 CA GLU A 68 7.038 -1.043 3.022 1.00 0.00 C ATOM 1082 C GLU A 68 6.353 -2.115 3.859 1.00 0.00 C ATOM 1083 O GLU A 68 6.492 -2.142 5.085 1.00 0.00 O ATOM 1084 CB GLU A 68 8.205 -1.649 2.230 1.00 0.00 C ATOM 1085 CG GLU A 68 9.295 -2.290 3.083 1.00 0.00 C ATOM 1086 CD GLU A 68 10.115 -1.283 3.865 1.00 0.00 C ATOM 1087 OE1 GLU A 68 11.025 -0.668 3.277 1.00 0.00 O ATOM 1088 OE2 GLU A 68 9.846 -1.101 5.070 1.00 0.00 O ATOM 0 H GLU A 68 8.409 -0.111 4.299 1.00 0.00 H new ATOM 0 HA GLU A 68 6.317 -0.639 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.810 -2.400 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.655 -0.867 1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.836 -2.993 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.959 -2.867 2.439 1.00 0.00 H new ATOM 1095 N LEU A 69 5.614 -2.996 3.201 1.00 0.00 N ATOM 1096 CA LEU A 69 4.855 -4.012 3.907 1.00 0.00 C ATOM 1097 C LEU A 69 4.998 -5.369 3.231 1.00 0.00 C ATOM 1098 O LEU A 69 5.426 -5.464 2.076 1.00 0.00 O ATOM 1099 CB LEU A 69 3.378 -3.609 4.013 1.00 0.00 C ATOM 1100 CG LEU A 69 2.475 -3.955 2.827 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.034 -3.666 3.204 1.00 0.00 C ATOM 1102 CD2 LEU A 69 2.868 -3.169 1.584 1.00 0.00 C ATOM 0 H LEU A 69 5.525 -3.027 2.185 1.00 0.00 H new ATOM 0 HA LEU A 69 5.260 -4.096 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.962 -4.080 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.332 -2.531 4.171 1.00 0.00 H new ATOM 0 HG LEU A 69 2.590 -5.013 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.382 -3.910 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.755 -4.271 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.927 -2.610 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.207 -3.438 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.781 -2.101 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.898 -3.404 1.315 1.00 0.00 H new ATOM 1114 N ASP A 70 4.667 -6.416 3.967 1.00 0.00 N ATOM 1115 CA ASP A 70 4.700 -7.768 3.437 1.00 0.00 C ATOM 1116 C ASP A 70 3.332 -8.146 2.907 1.00 0.00 C ATOM 1117 O ASP A 70 2.344 -8.125 3.640 1.00 0.00 O ATOM 1118 CB ASP A 70 5.140 -8.768 4.509 1.00 0.00 C ATOM 1119 CG ASP A 70 6.636 -8.756 4.749 1.00 0.00 C ATOM 1120 OD1 ASP A 70 7.177 -7.700 5.140 1.00 0.00 O ATOM 1121 OD2 ASP A 70 7.278 -9.811 4.567 1.00 0.00 O ATOM 0 H ASP A 70 4.370 -6.354 4.941 1.00 0.00 H new ATOM 0 HA ASP A 70 5.425 -7.800 2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.626 -8.541 5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.833 -9.771 4.211 1.00 0.00 H new ATOM 1126 N VAL A 71 3.285 -8.502 1.636 1.00 0.00 N ATOM 1127 CA VAL A 71 2.026 -8.785 0.963 1.00 0.00 C ATOM 1128 C VAL A 71 1.603 -10.234 1.162 1.00 0.00 C ATOM 1129 O VAL A 71 0.535 -10.652 0.710 1.00 0.00 O ATOM 1130 CB VAL A 71 2.123 -8.488 -0.546 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.327 -7.006 -0.789 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.253 -9.283 -1.178 1.00 0.00 C ATOM 0 H VAL A 71 4.109 -8.603 1.044 1.00 0.00 H new ATOM 0 HA VAL A 71 1.275 -8.133 1.409 1.00 0.00 H new ATOM 0 HB VAL A 71 1.184 -8.790 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.393 -6.819 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.486 -6.450 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.249 -6.682 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.304 -9.059 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.197 -9.013 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.070 -10.349 -1.040 1.00 0.00 H new ATOM 1142 N GLY A 72 2.444 -10.998 1.834 1.00 0.00 N ATOM 1143 CA GLY A 72 2.120 -12.374 2.122 1.00 0.00 C ATOM 1144 C GLY A 72 2.807 -13.338 1.184 1.00 0.00 C ATOM 1145 O GLY A 72 3.529 -12.922 0.274 1.00 0.00 O ATOM 0 H GLY A 72 3.349 -10.688 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.406 -12.604 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.041 -12.512 2.053 1.00 0.00 H new ATOM 1149 N ALA A 73 2.588 -14.630 1.421 1.00 0.00 N ATOM 1150 CA ALA A 73 3.162 -15.699 0.603 1.00 0.00 C ATOM 1151 C ALA A 73 4.686 -15.724 0.697 1.00 0.00 C ATOM 1152 O ALA A 73 5.354 -16.402 -0.084 1.00 0.00 O ATOM 1153 CB ALA A 73 2.713 -15.573 -0.849 1.00 0.00 C ATOM 0 H ALA A 73 2.006 -14.967 2.188 1.00 0.00 H new ATOM 0 HA ALA A 73 2.792 -16.646 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.153 -16.379 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.626 -15.637 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.039 -14.613 -1.249 1.00 0.00 H new ATOM 1159 N GLY A 74 5.230 -15.006 1.673 1.00 0.00 N ATOM 1160 CA GLY A 74 6.670 -14.958 1.854 1.00 0.00 C ATOM 1161 C GLY A 74 7.303 -13.774 1.152 1.00 0.00 C ATOM 1162 O GLY A 74 8.425 -13.375 1.474 1.00 0.00 O ATOM 0 H GLY A 74 4.697 -14.454 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.898 -14.909 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.112 -15.880 1.475 1.00 0.00 H new ATOM 1166 N LYS A 75 6.587 -13.200 0.197 1.00 0.00 N ATOM 1167 CA LYS A 75 7.116 -12.081 -0.562 1.00 0.00 C ATOM 1168 C LYS A 75 6.682 -10.756 0.058 1.00 0.00 C ATOM 1169 O LYS A 75 5.873 -10.725 0.989 1.00 0.00 O ATOM 1170 CB LYS A 75 6.693 -12.161 -2.033 1.00 0.00 C ATOM 1171 CG LYS A 75 5.204 -12.010 -2.268 1.00 0.00 C ATOM 1172 CD LYS A 75 4.908 -11.730 -3.733 1.00 0.00 C ATOM 1173 CE LYS A 75 3.448 -11.375 -3.954 1.00 0.00 C ATOM 1174 NZ LYS A 75 3.219 -10.778 -5.294 1.00 0.00 N ATOM 0 H LYS A 75 5.645 -13.489 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 75 8.204 -12.134 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.217 -11.385 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.017 -13.119 -2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.689 -12.919 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.816 -11.198 -1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.538 -10.912 -4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.164 -12.606 -4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.837 -12.271 -3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.124 -10.674 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.201 -10.784 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.568 -9.798 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.727 -11.332 -6.012 1.00 0.00 H new ATOM 1188 N TYR A 76 7.216 -9.666 -0.467 1.00 0.00 N ATOM 1189 CA TYR A 76 7.000 -8.348 0.116 1.00 0.00 C ATOM 1190 C TYR A 76 6.829 -7.290 -0.967 1.00 0.00 C ATOM 1191 O TYR A 76 7.049 -7.558 -2.150 1.00 0.00 O ATOM 1192 CB TYR A 76 8.171 -7.979 1.036 1.00 0.00 C ATOM 1193 CG TYR A 76 9.521 -8.401 0.491 1.00 0.00 C ATOM 1194 CD1 TYR A 76 10.233 -7.589 -0.385 1.00 0.00 C ATOM 1195 CD2 TYR A 76 10.071 -9.626 0.843 1.00 0.00 C ATOM 1196 CE1 TYR A 76 11.456 -7.991 -0.893 1.00 0.00 C ATOM 1197 CE2 TYR A 76 11.290 -10.030 0.344 1.00 0.00 C ATOM 1198 CZ TYR A 76 11.980 -9.213 -0.523 1.00 0.00 C ATOM 1199 OH TYR A 76 13.189 -9.631 -1.030 1.00 0.00 O ATOM 0 H TYR A 76 7.805 -9.666 -1.300 1.00 0.00 H new ATOM 0 HA TYR A 76 6.082 -8.383 0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 76 8.173 -6.901 1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.019 -8.445 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.826 -6.631 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.534 -10.274 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 76 11.997 -7.352 -1.575 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.703 -10.985 0.632 1.00 0.00 H new ATOM 0 HH TYR A 76 13.410 -10.513 -0.664 1.00 0.00 H new ATOM 1209 N LEU A 77 6.444 -6.093 -0.553 1.00 0.00 N ATOM 1210 CA LEU A 77 6.211 -4.999 -1.477 1.00 0.00 C ATOM 1211 C LEU A 77 6.830 -3.714 -0.942 1.00 0.00 C ATOM 1212 O LEU A 77 6.461 -3.241 0.135 1.00 0.00 O ATOM 1213 CB LEU A 77 4.707 -4.810 -1.684 1.00 0.00 C ATOM 1214 CG LEU A 77 4.298 -3.701 -2.652 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.761 -4.022 -4.066 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.790 -3.504 -2.609 1.00 0.00 C ATOM 0 H LEU A 77 6.286 -5.855 0.426 1.00 0.00 H new ATOM 0 HA LEU A 77 6.677 -5.238 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.289 -5.751 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.250 -4.607 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 77 4.780 -2.773 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.459 -3.219 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.847 -4.119 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.309 -4.958 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.507 -2.712 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.294 -4.431 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.488 -3.228 -1.599 1.00 0.00 H new ATOM 1228 N GLN A 78 7.777 -3.162 -1.685 1.00 0.00 N ATOM 1229 CA GLN A 78 8.414 -1.914 -1.299 1.00 0.00 C ATOM 1230 C GLN A 78 8.400 -0.932 -2.462 1.00 0.00 C ATOM 1231 O GLN A 78 8.423 -1.333 -3.626 1.00 0.00 O ATOM 1232 CB GLN A 78 9.847 -2.155 -0.809 1.00 0.00 C ATOM 1233 CG GLN A 78 10.722 -2.924 -1.783 1.00 0.00 C ATOM 1234 CD GLN A 78 12.135 -3.108 -1.265 1.00 0.00 C ATOM 1235 OE1 GLN A 78 13.014 -2.284 -1.517 1.00 0.00 O ATOM 1236 NE2 GLN A 78 12.361 -4.180 -0.521 1.00 0.00 N ATOM 0 H GLN A 78 8.121 -3.559 -2.559 1.00 0.00 H new ATOM 0 HA GLN A 78 7.848 -1.483 -0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.314 -1.192 -0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.809 -2.700 0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.277 -3.901 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.753 -2.396 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.606 -4.840 -0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.290 -4.346 -0.134 1.00 0.00 H new ATOM 1245 N TRP A 79 8.346 0.350 -2.142 1.00 0.00 N ATOM 1246 CA TRP A 79 8.254 1.387 -3.155 1.00 0.00 C ATOM 1247 C TRP A 79 8.979 2.643 -2.695 1.00 0.00 C ATOM 1248 O TRP A 79 9.015 2.944 -1.502 1.00 0.00 O ATOM 1249 CB TRP A 79 6.780 1.704 -3.457 1.00 0.00 C ATOM 1250 CG TRP A 79 6.002 2.211 -2.270 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.769 3.517 -1.940 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.351 1.424 -1.259 1.00 0.00 C ATOM 1253 NE1 TRP A 79 5.021 3.590 -0.791 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.749 2.320 -0.355 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.217 0.049 -1.031 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 4.030 1.888 0.756 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.503 -0.377 0.072 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.917 0.540 0.953 1.00 0.00 C ATOM 0 H TRP A 79 8.364 0.698 -1.184 1.00 0.00 H new ATOM 0 HA TRP A 79 8.729 1.026 -4.067 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.736 2.449 -4.252 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.297 0.804 -3.837 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.122 4.369 -2.502 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.717 4.451 -0.336 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.664 -0.666 -1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.578 2.593 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.395 -1.435 0.258 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.364 0.175 1.806 1.00 0.00 H new ATOM 1269 N TYR A 80 9.575 3.356 -3.636 1.00 0.00 N ATOM 1270 CA TYR A 80 10.192 4.637 -3.337 1.00 0.00 C ATOM 1271 C TYR A 80 9.924 5.621 -4.469 1.00 0.00 C ATOM 1272 O TYR A 80 9.877 5.241 -5.639 1.00 0.00 O ATOM 1273 CB TYR A 80 11.701 4.486 -3.082 1.00 0.00 C ATOM 1274 CG TYR A 80 12.498 3.977 -4.263 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.632 2.615 -4.506 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.129 4.862 -5.127 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.368 2.152 -5.578 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.867 4.408 -6.200 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.984 3.053 -6.422 1.00 0.00 C ATOM 1280 OH TYR A 80 14.724 2.600 -7.491 1.00 0.00 O ATOM 0 H TYR A 80 9.645 3.070 -4.613 1.00 0.00 H new ATOM 0 HA TYR A 80 9.747 5.027 -2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.103 5.454 -2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.847 3.805 -2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 80 12.153 1.908 -3.845 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.040 5.925 -4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.461 1.091 -5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.351 5.111 -6.863 1.00 0.00 H new ATOM 0 HH TYR A 80 15.088 3.365 -7.984 1.00 0.00 H new ATOM 1290 N ALA A 81 9.727 6.879 -4.115 1.00 0.00 N ATOM 1291 CA ALA A 81 9.426 7.910 -5.094 1.00 0.00 C ATOM 1292 C ALA A 81 10.676 8.695 -5.454 1.00 0.00 C ATOM 1293 O ALA A 81 11.402 9.158 -4.570 1.00 0.00 O ATOM 1294 CB ALA A 81 8.355 8.847 -4.560 1.00 0.00 C ATOM 0 H ALA A 81 9.770 7.213 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 81 9.054 7.425 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.139 9.614 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.448 8.280 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.709 9.319 -3.643 1.00 0.00 H new ATOM 1300 N VAL A 82 10.929 8.835 -6.748 1.00 0.00 N ATOM 1301 CA VAL A 82 12.051 9.628 -7.222 1.00 0.00 C ATOM 1302 C VAL A 82 11.620 11.078 -7.407 1.00 0.00 C ATOM 1303 O VAL A 82 10.915 11.419 -8.354 1.00 0.00 O ATOM 1304 CB VAL A 82 12.641 9.067 -8.539 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.457 7.815 -8.260 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.543 8.759 -9.553 1.00 0.00 C ATOM 0 H VAL A 82 10.371 8.409 -7.488 1.00 0.00 H new ATOM 0 HA VAL A 82 12.837 9.577 -6.469 1.00 0.00 H new ATOM 0 HB VAL A 82 13.291 9.831 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.866 7.431 -9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.273 8.057 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.818 7.058 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.991 8.367 -10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.860 8.018 -9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.992 9.672 -9.782 1.00 0.00 H new