USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 403 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 632 THR OG1 : rot -20:sc= 0.205 USER MOD Single : A 635 THR OG1 : rot 61:sc= -2.68! USER MOD Single : A 641 GLN : amide:sc= -1.37 K(o=-1.4,f=-6.9!) USER MOD Single : A 649 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0088) USER MOD Single : A 651 HIS : no HD1:sc=-0.000983 X(o=-0.00098,f=0) USER MOD Single : A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 658 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.93) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 663 CYS SG : rot 180:sc= 0 USER MOD Single : A 667 ASN : amide:sc= -5.56! C(o=-5.6!,f=-9.4!) USER MOD Single : A 668 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.6!) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : A 675 SER OG : rot -81:sc= 1.22 USER MOD Single : A 677 ASN : amide:sc= -0.094 X(o=-0.094,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 632 -3.224 0.734 -7.238 1.00 0.00 N ATOM 83 CA THR A 632 -3.940 -0.363 -6.564 1.00 0.00 C ATOM 84 C THR A 632 -3.052 -1.592 -6.338 1.00 0.00 C ATOM 85 O THR A 632 -3.126 -2.239 -5.290 1.00 0.00 O ATOM 86 CB THR A 632 -5.188 -0.799 -7.362 1.00 0.00 C ATOM 87 OG1 THR A 632 -4.851 -0.984 -8.742 1.00 0.00 O ATOM 88 CG2 THR A 632 -6.307 0.228 -7.239 1.00 0.00 C ATOM 0 HA THR A 632 -4.241 0.035 -5.595 1.00 0.00 H new ATOM 0 HB THR A 632 -5.541 -1.742 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 632 -4.023 -0.501 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 632 -7.172 -0.106 -7.811 1.00 0.00 H new ATOM 0 HG22 THR A 632 -6.586 0.339 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 632 -5.964 1.187 -7.627 1.00 0.00 H new ATOM 96 N ARG A 633 -2.225 -1.910 -7.343 1.00 0.00 N ATOM 97 CA ARG A 633 -1.323 -3.073 -7.308 1.00 0.00 C ATOM 98 C ARG A 633 -0.356 -3.078 -6.108 1.00 0.00 C ATOM 99 O ARG A 633 -0.254 -4.086 -5.409 1.00 0.00 O ATOM 100 CB ARG A 633 -0.519 -3.152 -8.613 1.00 0.00 C ATOM 101 CG ARG A 633 -1.339 -3.599 -9.816 1.00 0.00 C ATOM 102 CD ARG A 633 -0.498 -3.627 -11.082 1.00 0.00 C ATOM 103 NE ARG A 633 -1.281 -4.036 -12.254 1.00 0.00 N ATOM 104 CZ ARG A 633 -0.825 -4.040 -13.514 1.00 0.00 C ATOM 105 NH1 ARG A 633 0.419 -3.657 -13.798 1.00 0.00 N ATOM 106 NH2 ARG A 633 -1.623 -4.431 -14.499 1.00 0.00 N ATOM 0 H ARG A 633 -2.161 -1.368 -8.205 1.00 0.00 H new ATOM 0 HA ARG A 633 -1.964 -3.948 -7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 633 -0.088 -2.173 -8.823 1.00 0.00 H new ATOM 0 HB3 ARG A 633 0.312 -3.843 -8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 633 -1.751 -4.591 -9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -2.184 -2.924 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -0.073 -2.638 -11.257 1.00 0.00 H new ATOM 0 HD3 ARG A 633 0.338 -4.314 -10.947 1.00 0.00 H new ATOM 0 HE ARG A 633 -2.242 -4.339 -12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 633 1.043 -3.354 -13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 633 0.748 -3.667 -14.763 1.00 0.00 H new ATOM 0 HH21 ARG A 633 -2.578 -4.726 -14.295 1.00 0.00 H new ATOM 0 HH22 ARG A 633 -1.282 -4.436 -15.460 1.00 0.00 H new ATOM 120 N GLU A 634 0.311 -1.945 -5.831 1.00 0.00 N ATOM 121 CA GLU A 634 1.275 -1.860 -4.767 1.00 0.00 C ATOM 122 C GLU A 634 0.599 -1.867 -3.416 1.00 0.00 C ATOM 123 O GLU A 634 1.019 -2.574 -2.541 1.00 0.00 O ATOM 124 CB GLU A 634 2.138 -0.597 -4.922 1.00 0.00 C ATOM 125 CG GLU A 634 3.079 -0.621 -6.126 1.00 0.00 C ATOM 126 CD GLU A 634 2.384 -0.279 -7.432 1.00 0.00 C ATOM 127 OE1 GLU A 634 1.879 -1.209 -8.097 1.00 0.00 O ATOM 128 OE2 GLU A 634 2.344 0.917 -7.788 1.00 0.00 O ATOM 0 H GLU A 634 0.184 -1.075 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 634 1.919 -2.737 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 634 1.482 0.269 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 634 2.729 -0.462 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 634 3.892 0.085 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 634 3.528 -1.611 -6.209 1.00 0.00 H new ATOM 135 N THR A 635 -0.504 -1.154 -3.259 1.00 0.00 N ATOM 136 CA THR A 635 -1.134 -1.084 -1.943 1.00 0.00 C ATOM 137 C THR A 635 -1.719 -2.438 -1.446 1.00 0.00 C ATOM 138 O THR A 635 -1.115 -3.115 -0.587 1.00 0.00 O ATOM 139 CB THR A 635 -2.242 0.024 -1.977 1.00 0.00 C ATOM 140 OG1 THR A 635 -2.997 0.018 -0.771 1.00 0.00 O ATOM 141 CG2 THR A 635 -3.203 -0.113 -3.164 1.00 0.00 C ATOM 0 H THR A 635 -0.973 -0.630 -3.998 1.00 0.00 H new ATOM 0 HA THR A 635 -0.356 -0.832 -1.222 1.00 0.00 H new ATOM 0 HB THR A 635 -1.710 0.969 -2.089 1.00 0.00 H new ATOM 0 HG1 THR A 635 -2.404 0.203 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 635 -3.944 0.685 -3.126 1.00 0.00 H new ATOM 0 HG22 THR A 635 -2.642 -0.044 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 635 -3.707 -1.078 -3.115 1.00 0.00 H new ATOM 149 N GLU A 636 -2.805 -2.877 -2.069 1.00 0.00 N ATOM 150 CA GLU A 636 -3.473 -4.110 -1.682 1.00 0.00 C ATOM 151 C GLU A 636 -2.806 -5.397 -2.188 1.00 0.00 C ATOM 152 O GLU A 636 -2.718 -6.372 -1.441 1.00 0.00 O ATOM 153 CB GLU A 636 -4.981 -4.016 -1.944 1.00 0.00 C ATOM 154 CG GLU A 636 -5.382 -3.773 -3.399 1.00 0.00 C ATOM 155 CD GLU A 636 -6.885 -3.695 -3.583 1.00 0.00 C ATOM 156 OE1 GLU A 636 -7.439 -2.581 -3.483 1.00 0.00 O ATOM 157 OE2 GLU A 636 -7.508 -4.750 -3.828 1.00 0.00 O ATOM 0 H GLU A 636 -3.244 -2.391 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 636 -3.347 -4.209 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -5.449 -4.940 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -5.389 -3.210 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -4.928 -2.845 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -4.984 -4.575 -4.021 1.00 0.00 H new ATOM 164 N ARG A 637 -2.331 -5.395 -3.448 1.00 0.00 N ATOM 165 CA ARG A 637 -1.694 -6.582 -4.043 1.00 0.00 C ATOM 166 C ARG A 637 -0.315 -6.858 -3.423 1.00 0.00 C ATOM 167 O ARG A 637 0.034 -8.020 -3.200 1.00 0.00 O ATOM 168 CB ARG A 637 -1.596 -6.450 -5.568 1.00 0.00 C ATOM 169 CG ARG A 637 -1.688 -7.775 -6.313 1.00 0.00 C ATOM 170 CD ARG A 637 -1.553 -7.579 -7.814 1.00 0.00 C ATOM 171 NE ARG A 637 -1.629 -8.849 -8.544 1.00 0.00 N ATOM 172 CZ ARG A 637 -1.453 -8.981 -9.868 1.00 0.00 C ATOM 173 NH1 ARG A 637 -1.189 -7.926 -10.636 1.00 0.00 N ATOM 174 NH2 ARG A 637 -1.545 -10.181 -10.424 1.00 0.00 N ATOM 0 H ARG A 637 -2.377 -4.588 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 637 -2.329 -7.439 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -2.392 -5.793 -5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 637 -0.651 -5.968 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -0.906 -8.447 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -2.642 -8.253 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -2.340 -6.912 -8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 637 -0.602 -7.092 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 637 -1.830 -9.692 -8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -1.117 -6.997 -10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -1.058 -8.046 -11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -1.748 -10.997 -9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -1.412 -10.289 -11.430 1.00 0.00 H new ATOM 188 N LEU A 638 0.470 -5.787 -3.165 1.00 0.00 N ATOM 189 CA LEU A 638 1.811 -5.909 -2.558 1.00 0.00 C ATOM 190 C LEU A 638 1.742 -6.677 -1.243 1.00 0.00 C ATOM 191 O LEU A 638 2.438 -7.678 -1.046 1.00 0.00 O ATOM 192 CB LEU A 638 2.417 -4.485 -2.398 1.00 0.00 C ATOM 193 CG LEU A 638 2.826 -3.918 -0.995 1.00 0.00 C ATOM 194 CD1 LEU A 638 3.489 -2.597 -1.209 1.00 0.00 C ATOM 195 CD2 LEU A 638 1.672 -3.686 -0.006 1.00 0.00 C ATOM 0 H LEU A 638 0.194 -4.826 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 638 2.470 -6.487 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 638 3.307 -4.448 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 638 1.698 -3.786 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 638 3.467 -4.679 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 638 3.785 -2.178 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 638 4.372 -2.730 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 638 2.795 -1.917 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 638 2.069 -3.293 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 638 0.968 -2.970 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 638 1.160 -4.630 0.184 1.00 0.00 H new ATOM 207 N ARG A 639 0.888 -6.173 -0.361 1.00 0.00 N ATOM 208 CA ARG A 639 0.661 -6.786 0.957 1.00 0.00 C ATOM 209 C ARG A 639 -0.007 -8.176 0.839 1.00 0.00 C ATOM 210 O ARG A 639 0.374 -9.106 1.556 1.00 0.00 O ATOM 211 CB ARG A 639 -0.161 -5.822 1.837 1.00 0.00 C ATOM 212 CG ARG A 639 -0.592 -6.386 3.202 1.00 0.00 C ATOM 213 CD ARG A 639 -1.964 -7.050 3.146 1.00 0.00 C ATOM 214 NE ARG A 639 -2.366 -7.590 4.450 1.00 0.00 N ATOM 215 CZ ARG A 639 -3.372 -8.457 4.640 1.00 0.00 C ATOM 216 NH1 ARG A 639 -4.101 -8.903 3.618 1.00 0.00 N ATOM 217 NH2 ARG A 639 -3.649 -8.880 5.866 1.00 0.00 N ATOM 0 H ARG A 639 0.333 -5.334 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 639 1.626 -6.956 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 639 0.426 -4.919 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -1.054 -5.525 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 639 0.147 -7.111 3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -0.610 -5.581 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -2.705 -6.324 2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -1.948 -7.854 2.410 1.00 0.00 H new ATOM 0 HE ARG A 639 -1.843 -7.284 5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -3.898 -8.585 2.670 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -4.862 -9.562 3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -3.099 -8.546 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -4.412 -9.539 6.018 1.00 0.00 H new ATOM 231 N ARG A 640 -0.997 -8.304 -0.062 1.00 0.00 N ATOM 232 CA ARG A 640 -1.725 -9.574 -0.266 1.00 0.00 C ATOM 233 C ARG A 640 -0.799 -10.687 -0.786 1.00 0.00 C ATOM 234 O ARG A 640 -0.889 -11.834 -0.340 1.00 0.00 O ATOM 235 CB ARG A 640 -2.895 -9.366 -1.237 1.00 0.00 C ATOM 236 CG ARG A 640 -4.092 -10.267 -0.966 1.00 0.00 C ATOM 237 CD ARG A 640 -5.212 -10.021 -1.964 1.00 0.00 C ATOM 238 NE ARG A 640 -6.372 -10.883 -1.715 1.00 0.00 N ATOM 239 CZ ARG A 640 -7.491 -10.889 -2.453 1.00 0.00 C ATOM 240 NH1 ARG A 640 -7.630 -10.081 -3.502 1.00 0.00 N ATOM 241 NH2 ARG A 640 -8.480 -11.713 -2.135 1.00 0.00 N ATOM 0 H ARG A 640 -1.314 -7.543 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 640 -2.111 -9.890 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -3.217 -8.326 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -2.545 -9.540 -2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -3.782 -11.311 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -4.459 -10.092 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -5.519 -8.977 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -4.842 -10.195 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 640 -6.324 -11.524 -0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -6.877 -9.442 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -8.490 -10.101 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -8.386 -12.337 -1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -9.334 -11.723 -2.692 1.00 0.00 H new ATOM 255 N GLN A 641 0.081 -10.328 -1.728 1.00 0.00 N ATOM 256 CA GLN A 641 1.036 -11.273 -2.315 1.00 0.00 C ATOM 257 C GLN A 641 2.363 -11.250 -1.544 1.00 0.00 C ATOM 258 O GLN A 641 2.521 -10.477 -0.593 1.00 0.00 O ATOM 259 CB GLN A 641 1.267 -10.940 -3.797 1.00 0.00 C ATOM 260 CG GLN A 641 0.119 -11.349 -4.707 1.00 0.00 C ATOM 261 CD GLN A 641 0.455 -11.186 -6.177 1.00 0.00 C ATOM 262 OE1 GLN A 641 0.225 -10.129 -6.765 1.00 0.00 O ATOM 263 NE2 GLN A 641 1.002 -12.235 -6.779 1.00 0.00 N ATOM 0 H GLN A 641 0.151 -9.382 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 641 0.619 -12.278 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 641 1.432 -9.867 -3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 641 2.178 -11.435 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 641 -0.143 -12.389 -4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -0.760 -10.749 -4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 641 1.175 -13.092 -6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 641 1.249 -12.184 -7.767 1.00 0.00 H new ATOM 272 N LEU A 642 3.314 -12.103 -1.960 1.00 0.00 N ATOM 273 CA LEU A 642 4.634 -12.193 -1.316 1.00 0.00 C ATOM 274 C LEU A 642 5.546 -11.011 -1.694 1.00 0.00 C ATOM 275 O LEU A 642 6.658 -10.886 -1.167 1.00 0.00 O ATOM 276 CB LEU A 642 5.315 -13.519 -1.690 1.00 0.00 C ATOM 277 CG LEU A 642 4.663 -14.784 -1.115 1.00 0.00 C ATOM 278 CD1 LEU A 642 3.564 -15.297 -2.037 1.00 0.00 C ATOM 279 CD2 LEU A 642 5.711 -15.862 -0.884 1.00 0.00 C ATOM 0 H LEU A 642 3.191 -12.743 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 642 4.473 -12.153 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 642 5.334 -13.603 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 642 6.352 -13.482 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 642 4.209 -14.528 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 642 3.118 -16.194 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 642 2.798 -14.530 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 642 3.989 -15.535 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 642 5.233 -16.753 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 642 6.193 -16.110 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 642 6.459 -15.497 -0.180 1.00 0.00 H new ATOM 291 N LEU A 643 5.061 -10.147 -2.597 1.00 0.00 N ATOM 292 CA LEU A 643 5.820 -8.981 -3.044 1.00 0.00 C ATOM 293 C LEU A 643 5.342 -7.709 -2.325 1.00 0.00 C ATOM 294 O LEU A 643 4.506 -6.958 -2.836 1.00 0.00 O ATOM 295 CB LEU A 643 5.713 -8.835 -4.576 1.00 0.00 C ATOM 296 CG LEU A 643 6.830 -8.022 -5.251 1.00 0.00 C ATOM 297 CD1 LEU A 643 8.047 -8.895 -5.533 1.00 0.00 C ATOM 298 CD2 LEU A 643 6.320 -7.389 -6.536 1.00 0.00 C ATOM 0 H LEU A 643 4.142 -10.239 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 643 6.870 -9.126 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 643 5.698 -9.832 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 643 4.757 -8.368 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 643 7.135 -7.230 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 643 8.822 -8.296 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 643 8.428 -9.301 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 643 7.762 -9.713 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 643 7.122 -6.817 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 643 5.987 -8.170 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 643 5.486 -6.726 -6.309 1.00 0.00 H new ATOM 310 N GLU A 644 5.892 -7.492 -1.124 1.00 0.00 N ATOM 311 CA GLU A 644 5.577 -6.328 -0.280 1.00 0.00 C ATOM 312 C GLU A 644 6.351 -5.089 -0.791 1.00 0.00 C ATOM 313 O GLU A 644 7.428 -4.766 -0.271 1.00 0.00 O ATOM 314 CB GLU A 644 5.969 -6.686 1.163 1.00 0.00 C ATOM 315 CG GLU A 644 4.863 -7.381 1.944 1.00 0.00 C ATOM 316 CD GLU A 644 5.246 -7.643 3.387 1.00 0.00 C ATOM 317 OE1 GLU A 644 5.818 -8.718 3.664 1.00 0.00 O ATOM 318 OE2 GLU A 644 4.974 -6.773 4.241 1.00 0.00 O ATOM 0 H GLU A 644 6.574 -8.124 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 644 4.515 -6.084 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 644 6.847 -7.331 1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 644 6.255 -5.775 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 644 3.963 -6.767 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 644 4.619 -8.326 1.459 1.00 0.00 H new ATOM 325 N VAL A 645 5.811 -4.404 -1.829 1.00 0.00 N ATOM 326 CA VAL A 645 6.577 -3.300 -2.466 1.00 0.00 C ATOM 327 C VAL A 645 6.634 -1.908 -1.714 1.00 0.00 C ATOM 328 O VAL A 645 7.577 -1.686 -0.945 1.00 0.00 O ATOM 329 CB VAL A 645 5.969 -3.130 -3.917 1.00 0.00 C ATOM 330 CG1 VAL A 645 6.492 -1.888 -4.642 1.00 0.00 C ATOM 331 CG2 VAL A 645 6.274 -4.363 -4.762 1.00 0.00 C ATOM 0 H VAL A 645 4.890 -4.583 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 645 7.626 -3.597 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 645 4.893 -3.009 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 645 6.039 -1.826 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 645 6.235 -0.997 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 645 7.575 -1.955 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 645 5.851 -4.235 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 645 7.353 -4.493 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 645 5.836 -5.244 -4.292 1.00 0.00 H new ATOM 341 N PHE A 646 5.580 -1.043 -1.824 1.00 0.00 N ATOM 342 CA PHE A 646 5.542 0.269 -1.143 1.00 0.00 C ATOM 343 C PHE A 646 5.048 0.139 0.273 1.00 0.00 C ATOM 344 O PHE A 646 5.751 0.392 1.251 1.00 0.00 O ATOM 345 CB PHE A 646 4.690 1.290 -1.905 1.00 0.00 C ATOM 346 CG PHE A 646 5.486 2.185 -2.814 1.00 0.00 C ATOM 347 CD1 PHE A 646 5.740 1.818 -4.126 1.00 0.00 C ATOM 348 CD2 PHE A 646 5.979 3.396 -2.354 1.00 0.00 C ATOM 349 CE1 PHE A 646 6.471 2.641 -4.962 1.00 0.00 C ATOM 350 CE2 PHE A 646 6.711 4.222 -3.185 1.00 0.00 C ATOM 351 CZ PHE A 646 6.957 3.844 -4.491 1.00 0.00 C ATOM 0 H PHE A 646 4.749 -1.241 -2.381 1.00 0.00 H new ATOM 0 HA PHE A 646 6.568 0.636 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 646 3.944 0.758 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 646 4.148 1.906 -1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 646 5.362 0.878 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 646 5.789 3.697 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 646 6.662 2.343 -5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 646 7.091 5.163 -2.814 1.00 0.00 H new ATOM 0 HZ PHE A 646 7.529 4.489 -5.142 1.00 0.00 H new ATOM 361 N TRP A 647 3.777 -0.279 0.314 1.00 0.00 N ATOM 362 CA TRP A 647 3.017 -0.509 1.510 1.00 0.00 C ATOM 363 C TRP A 647 3.631 -1.684 2.289 1.00 0.00 C ATOM 364 O TRP A 647 3.746 -1.626 3.486 1.00 0.00 O ATOM 365 CB TRP A 647 1.513 -0.731 1.119 1.00 0.00 C ATOM 366 CG TRP A 647 0.554 -0.832 2.299 1.00 0.00 C ATOM 367 CD1 TRP A 647 -0.410 0.068 2.619 1.00 0.00 C ATOM 368 CD2 TRP A 647 0.458 -1.872 3.308 1.00 0.00 C ATOM 369 NE1 TRP A 647 -1.086 -0.317 3.748 1.00 0.00 N ATOM 370 CE2 TRP A 647 -0.577 -1.498 4.190 1.00 0.00 C ATOM 371 CE3 TRP A 647 1.136 -3.069 3.563 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -0.942 -2.266 5.292 1.00 0.00 C ATOM 373 CZ3 TRP A 647 0.769 -3.829 4.658 1.00 0.00 C ATOM 374 CH2 TRP A 647 -0.260 -3.425 5.510 1.00 0.00 C ATOM 0 H TRP A 647 3.243 -0.470 -0.534 1.00 0.00 H new ATOM 0 HA TRP A 647 3.051 0.353 2.176 1.00 0.00 H new ATOM 0 HB2 TRP A 647 1.194 0.091 0.479 1.00 0.00 H new ATOM 0 HB3 TRP A 647 1.437 -1.644 0.528 1.00 0.00 H new ATOM 0 HD1 TRP A 647 -0.617 0.968 2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 647 -1.849 0.200 4.186 1.00 0.00 H new ATOM 0 HE3 TRP A 647 1.935 -3.395 2.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -1.738 -1.954 5.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 1.289 -4.754 4.858 1.00 0.00 H new ATOM 0 HH2 TRP A 647 -0.520 -4.042 6.357 1.00 0.00 H new ATOM 385 N GLY A 648 4.069 -2.717 1.582 1.00 0.00 N ATOM 386 CA GLY A 648 4.617 -3.914 2.200 1.00 0.00 C ATOM 387 C GLY A 648 5.985 -3.787 2.877 1.00 0.00 C ATOM 388 O GLY A 648 6.181 -4.399 3.929 1.00 0.00 O ATOM 0 H GLY A 648 4.054 -2.747 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 648 3.903 -4.267 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 648 4.689 -4.687 1.435 1.00 0.00 H new ATOM 392 N GLN A 649 6.933 -3.022 2.288 1.00 0.00 N ATOM 393 CA GLN A 649 8.302 -2.884 2.856 1.00 0.00 C ATOM 394 C GLN A 649 8.358 -2.483 4.361 1.00 0.00 C ATOM 395 O GLN A 649 8.463 -1.305 4.708 1.00 0.00 O ATOM 396 CB GLN A 649 9.118 -1.900 2.010 1.00 0.00 C ATOM 397 CG GLN A 649 9.879 -2.560 0.871 1.00 0.00 C ATOM 398 CD GLN A 649 10.782 -1.590 0.133 1.00 0.00 C ATOM 399 OE1 GLN A 649 11.946 -1.414 0.490 1.00 0.00 O ATOM 400 NE2 GLN A 649 10.247 -0.954 -0.903 1.00 0.00 N ATOM 0 H GLN A 649 6.782 -2.494 1.428 1.00 0.00 H new ATOM 0 HA GLN A 649 8.737 -3.883 2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 649 8.448 -1.145 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 649 9.826 -1.380 2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 649 10.479 -3.380 1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 649 9.168 -2.995 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 649 9.277 -1.131 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 649 10.806 -0.289 -1.437 1.00 0.00 H new ATOM 409 N ASP A 650 8.306 -3.512 5.242 1.00 0.00 N ATOM 410 CA ASP A 650 8.378 -3.376 6.731 1.00 0.00 C ATOM 411 C ASP A 650 7.557 -2.190 7.315 1.00 0.00 C ATOM 412 O ASP A 650 6.329 -2.187 7.222 1.00 0.00 O ATOM 413 CB ASP A 650 9.850 -3.308 7.186 1.00 0.00 C ATOM 414 CG ASP A 650 10.582 -4.624 6.993 1.00 0.00 C ATOM 415 OD1 ASP A 650 11.153 -4.831 5.902 1.00 0.00 O ATOM 416 OD2 ASP A 650 10.583 -5.445 7.934 1.00 0.00 O ATOM 0 H ASP A 650 8.211 -4.481 4.939 1.00 0.00 H new ATOM 0 HA ASP A 650 7.905 -4.270 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 650 10.363 -2.526 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 650 9.889 -3.026 8.238 1.00 0.00 H new ATOM 421 N HIS A 651 8.257 -1.198 7.921 1.00 0.00 N ATOM 422 CA HIS A 651 7.640 0.008 8.535 1.00 0.00 C ATOM 423 C HIS A 651 6.683 0.714 7.569 1.00 0.00 C ATOM 424 O HIS A 651 5.604 1.165 7.955 1.00 0.00 O ATOM 425 CB HIS A 651 8.726 0.986 9.000 1.00 0.00 C ATOM 426 CG HIS A 651 9.530 0.488 10.162 1.00 0.00 C ATOM 427 ND1 HIS A 651 9.309 0.897 11.461 1.00 0.00 N ATOM 428 CD2 HIS A 651 10.560 -0.390 10.216 1.00 0.00 C ATOM 429 CE1 HIS A 651 10.169 0.294 12.262 1.00 0.00 C ATOM 430 NE2 HIS A 651 10.938 -0.492 11.532 1.00 0.00 N ATOM 0 H HIS A 651 9.274 -1.212 7.998 1.00 0.00 H new ATOM 0 HA HIS A 651 7.061 -0.326 9.396 1.00 0.00 H new ATOM 0 HB2 HIS A 651 9.398 1.192 8.167 1.00 0.00 H new ATOM 0 HB3 HIS A 651 8.258 1.932 9.273 1.00 0.00 H new ATOM 0 HD2 HIS A 651 11.001 -0.912 9.380 1.00 0.00 H new ATOM 0 HE1 HIS A 651 10.232 0.422 13.332 1.00 0.00 H new ATOM 0 HE2 HIS A 651 11.691 -1.080 11.888 1.00 0.00 H new ATOM 439 N LYS A 652 7.106 0.742 6.305 1.00 0.00 N ATOM 440 CA LYS A 652 6.395 1.348 5.169 1.00 0.00 C ATOM 441 C LYS A 652 4.911 0.958 5.073 1.00 0.00 C ATOM 442 O LYS A 652 4.117 1.738 4.557 1.00 0.00 O ATOM 443 CB LYS A 652 7.110 1.047 3.852 1.00 0.00 C ATOM 444 CG LYS A 652 8.315 1.945 3.606 1.00 0.00 C ATOM 445 CD LYS A 652 8.883 1.762 2.208 1.00 0.00 C ATOM 446 CE LYS A 652 9.905 2.837 1.878 1.00 0.00 C ATOM 447 NZ LYS A 652 10.449 2.682 0.501 1.00 0.00 N ATOM 0 H LYS A 652 7.994 0.325 6.028 1.00 0.00 H new ATOM 0 HA LYS A 652 6.413 2.421 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 652 7.434 0.006 3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 652 6.405 1.162 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 652 8.026 2.987 3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 652 9.087 1.726 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 652 9.348 0.779 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 652 8.074 1.791 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 652 9.443 3.819 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 652 10.722 2.794 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 11.142 3.434 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 10.912 1.755 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 9.673 2.748 -0.188 1.00 0.00 H new ATOM 461 N VAL A 653 4.550 -0.252 5.549 1.00 0.00 N ATOM 462 CA VAL A 653 3.177 -0.813 5.392 1.00 0.00 C ATOM 463 C VAL A 653 2.064 0.216 5.676 1.00 0.00 C ATOM 464 O VAL A 653 1.349 0.587 4.761 1.00 0.00 O ATOM 465 CB VAL A 653 2.991 -2.076 6.323 1.00 0.00 C ATOM 466 CG1 VAL A 653 3.823 -3.255 5.832 1.00 0.00 C ATOM 467 CG2 VAL A 653 3.343 -1.798 7.792 1.00 0.00 C ATOM 0 H VAL A 653 5.190 -0.869 6.050 1.00 0.00 H new ATOM 0 HA VAL A 653 3.080 -1.104 4.346 1.00 0.00 H new ATOM 0 HB VAL A 653 1.930 -2.322 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 653 3.672 -4.107 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 653 3.515 -3.522 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 653 4.878 -2.980 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 653 3.195 -2.704 8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 653 4.385 -1.486 7.864 1.00 0.00 H new ATOM 0 HG23 VAL A 653 2.700 -1.007 8.177 1.00 0.00 H new ATOM 477 N ASP A 654 1.919 0.657 6.900 1.00 0.00 N ATOM 478 CA ASP A 654 0.986 1.729 7.259 1.00 0.00 C ATOM 479 C ASP A 654 1.587 3.098 6.890 1.00 0.00 C ATOM 480 O ASP A 654 0.893 4.057 6.550 1.00 0.00 O ATOM 481 CB ASP A 654 0.517 1.648 8.713 1.00 0.00 C ATOM 482 CG ASP A 654 1.647 1.524 9.727 1.00 0.00 C ATOM 483 OD1 ASP A 654 2.037 0.381 10.045 1.00 0.00 O ATOM 484 OD2 ASP A 654 2.138 2.571 10.199 1.00 0.00 O ATOM 0 H ASP A 654 2.444 0.287 7.693 1.00 0.00 H new ATOM 0 HA ASP A 654 0.078 1.597 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 654 -0.068 2.538 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 654 -0.149 0.792 8.821 1.00 0.00 H new ATOM 489 N PHE A 655 2.924 3.106 6.982 1.00 0.00 N ATOM 490 CA PHE A 655 3.798 4.281 6.872 1.00 0.00 C ATOM 491 C PHE A 655 3.693 5.008 5.559 1.00 0.00 C ATOM 492 O PHE A 655 3.829 6.235 5.535 1.00 0.00 O ATOM 493 CB PHE A 655 5.253 3.910 7.143 1.00 0.00 C ATOM 494 CG PHE A 655 5.771 4.423 8.459 1.00 0.00 C ATOM 495 CD1 PHE A 655 5.651 3.662 9.612 1.00 0.00 C ATOM 496 CD2 PHE A 655 6.380 5.666 8.542 1.00 0.00 C ATOM 497 CE1 PHE A 655 6.127 4.132 10.821 1.00 0.00 C ATOM 498 CE2 PHE A 655 6.857 6.140 9.749 1.00 0.00 C ATOM 499 CZ PHE A 655 6.731 5.372 10.890 1.00 0.00 C ATOM 0 H PHE A 655 3.452 2.248 7.144 1.00 0.00 H new ATOM 0 HA PHE A 655 3.442 4.971 7.637 1.00 0.00 H new ATOM 0 HB2 PHE A 655 5.352 2.825 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 655 5.875 4.303 6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.180 2.691 9.564 1.00 0.00 H new ATOM 0 HD2 PHE A 655 6.483 6.271 7.653 1.00 0.00 H new ATOM 0 HE1 PHE A 655 6.027 3.530 11.712 1.00 0.00 H new ATOM 0 HE2 PHE A 655 7.328 7.110 9.800 1.00 0.00 H new ATOM 0 HZ PHE A 655 7.104 5.740 11.834 1.00 0.00 H new ATOM 509 N ILE A 656 3.477 4.262 4.462 1.00 0.00 N ATOM 510 CA ILE A 656 3.424 4.863 3.134 1.00 0.00 C ATOM 511 C ILE A 656 2.597 6.159 3.119 1.00 0.00 C ATOM 512 O ILE A 656 3.180 7.232 2.934 1.00 0.00 O ATOM 513 CB ILE A 656 2.785 3.908 2.046 1.00 0.00 C ATOM 514 CG1 ILE A 656 2.065 2.677 2.614 1.00 0.00 C ATOM 515 CG2 ILE A 656 3.849 3.423 1.079 1.00 0.00 C ATOM 516 CD1 ILE A 656 0.985 3.009 3.587 1.00 0.00 C ATOM 0 H ILE A 656 3.338 3.252 4.476 1.00 0.00 H new ATOM 0 HA ILE A 656 4.467 5.062 2.888 1.00 0.00 H new ATOM 0 HB ILE A 656 2.033 4.521 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 656 1.637 2.106 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 656 2.796 2.033 3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 656 3.394 2.767 0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 656 4.303 4.278 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 656 4.616 2.875 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 656 0.522 2.089 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 656 1.410 3.553 4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 656 0.232 3.627 3.098 1.00 0.00 H new ATOM 528 N LEU A 657 1.298 6.098 3.413 1.00 0.00 N ATOM 529 CA LEU A 657 0.440 7.293 3.350 1.00 0.00 C ATOM 530 C LEU A 657 0.969 8.470 4.192 1.00 0.00 C ATOM 531 O LEU A 657 0.948 9.611 3.725 1.00 0.00 O ATOM 532 CB LEU A 657 -1.011 6.913 3.699 1.00 0.00 C ATOM 533 CG LEU A 657 -1.973 8.085 4.022 1.00 0.00 C ATOM 534 CD1 LEU A 657 -3.350 7.863 3.421 1.00 0.00 C ATOM 535 CD2 LEU A 657 -2.092 8.282 5.527 1.00 0.00 C ATOM 0 H LEU A 657 0.815 5.245 3.695 1.00 0.00 H new ATOM 0 HA LEU A 657 0.460 7.663 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -1.427 6.350 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -0.991 6.241 4.557 1.00 0.00 H new ATOM 0 HG LEU A 657 -1.549 8.984 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -3.995 8.706 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -3.265 7.778 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -3.779 6.946 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -2.771 9.109 5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -2.480 7.371 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 657 -1.110 8.507 5.943 1.00 0.00 H new ATOM 547 N GLN A 658 1.455 8.177 5.412 1.00 0.00 N ATOM 548 CA GLN A 658 2.011 9.191 6.342 1.00 0.00 C ATOM 549 C GLN A 658 1.103 10.443 6.462 1.00 0.00 C ATOM 550 O GLN A 658 0.180 10.444 7.281 1.00 0.00 O ATOM 551 CB GLN A 658 3.461 9.566 5.938 1.00 0.00 C ATOM 552 CG GLN A 658 4.351 10.009 7.100 1.00 0.00 C ATOM 553 CD GLN A 658 4.106 11.448 7.522 1.00 0.00 C ATOM 554 OE1 GLN A 658 3.271 11.721 8.384 1.00 0.00 O ATOM 555 NE2 GLN A 658 4.836 12.376 6.913 1.00 0.00 N ATOM 0 H GLN A 658 1.476 7.229 5.787 1.00 0.00 H new ATOM 0 HA GLN A 658 2.042 8.743 7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 658 3.922 8.707 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 658 3.423 10.368 5.200 1.00 0.00 H new ATOM 0 HG2 GLN A 658 4.179 9.352 7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 658 5.396 9.893 6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 658 5.517 12.105 6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 658 4.715 13.360 7.155 1.00 0.00 H new ATOM 564 N ARG A 659 1.358 11.495 5.640 1.00 0.00 N ATOM 565 CA ARG A 659 0.559 12.737 5.680 1.00 0.00 C ATOM 566 C ARG A 659 0.712 13.613 4.422 1.00 0.00 C ATOM 567 O ARG A 659 -0.124 14.495 4.198 1.00 0.00 O ATOM 568 CB ARG A 659 0.931 13.587 6.908 1.00 0.00 C ATOM 569 CG ARG A 659 0.059 13.322 8.126 1.00 0.00 C ATOM 570 CD ARG A 659 0.447 14.216 9.293 1.00 0.00 C ATOM 571 NE ARG A 659 -0.412 13.998 10.462 1.00 0.00 N ATOM 572 CZ ARG A 659 -0.392 14.745 11.575 1.00 0.00 C ATOM 573 NH1 ARG A 659 0.443 15.776 11.698 1.00 0.00 N ATOM 574 NH2 ARG A 659 -1.216 14.456 12.573 1.00 0.00 N ATOM 0 H ARG A 659 2.107 11.503 4.948 1.00 0.00 H new ATOM 0 HA ARG A 659 -0.479 12.407 5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 659 1.972 13.395 7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 659 0.858 14.642 6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 659 -0.987 13.490 7.870 1.00 0.00 H new ATOM 0 HG3 ARG A 659 0.151 12.277 8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 659 1.485 14.026 9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 659 0.384 15.260 8.986 1.00 0.00 H new ATOM 0 HE ARG A 659 -1.073 13.222 10.425 1.00 0.00 H new ATOM 0 HH11 ARG A 659 1.082 16.009 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 659 0.443 16.333 12.553 1.00 0.00 H new ATOM 0 HH21 ARG A 659 -1.860 13.669 12.491 1.00 0.00 H new ATOM 0 HH22 ARG A 659 -1.206 15.020 13.423 1.00 0.00 H new ATOM 588 N GLU A 660 1.755 13.385 3.601 1.00 0.00 N ATOM 589 CA GLU A 660 1.974 14.230 2.412 1.00 0.00 C ATOM 590 C GLU A 660 2.092 13.466 1.069 1.00 0.00 C ATOM 591 O GLU A 660 1.389 13.837 0.125 1.00 0.00 O ATOM 592 CB GLU A 660 3.202 15.126 2.617 1.00 0.00 C ATOM 593 CG GLU A 660 2.912 16.374 3.434 1.00 0.00 C ATOM 594 CD GLU A 660 4.139 17.244 3.624 1.00 0.00 C ATOM 595 OE1 GLU A 660 4.382 18.122 2.769 1.00 0.00 O ATOM 596 OE2 GLU A 660 4.858 17.048 4.626 1.00 0.00 O ATOM 0 H GLU A 660 2.443 12.643 3.733 1.00 0.00 H new ATOM 0 HA GLU A 660 1.068 14.829 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.983 14.550 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.593 15.421 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 660 2.133 16.954 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 660 2.523 16.083 4.410 1.00 0.00 H new ATOM 603 N PRO A 661 2.955 12.399 0.922 1.00 0.00 N ATOM 604 CA PRO A 661 3.111 11.679 -0.375 1.00 0.00 C ATOM 605 C PRO A 661 1.814 11.033 -0.881 1.00 0.00 C ATOM 606 O PRO A 661 1.126 10.347 -0.127 1.00 0.00 O ATOM 607 CB PRO A 661 4.167 10.606 -0.073 1.00 0.00 C ATOM 608 CG PRO A 661 4.865 11.083 1.152 1.00 0.00 C ATOM 609 CD PRO A 661 3.824 11.795 1.961 1.00 0.00 C ATOM 0 HA PRO A 661 3.394 12.368 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 661 3.704 9.633 0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 661 4.863 10.493 -0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 661 5.291 10.249 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 661 5.688 11.751 0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 661 3.271 11.109 2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 661 4.264 12.552 2.610 1.00 0.00 H new ATOM 617 N TYR A 662 1.508 11.265 -2.174 1.00 0.00 N ATOM 618 CA TYR A 662 0.285 10.749 -2.827 1.00 0.00 C ATOM 619 C TYR A 662 0.328 9.233 -3.094 1.00 0.00 C ATOM 620 O TYR A 662 -0.623 8.517 -2.761 1.00 0.00 O ATOM 621 CB TYR A 662 0.035 11.500 -4.142 1.00 0.00 C ATOM 622 CG TYR A 662 -0.363 12.948 -3.952 1.00 0.00 C ATOM 623 CD1 TYR A 662 -1.698 13.311 -3.824 1.00 0.00 C ATOM 624 CD2 TYR A 662 0.597 13.951 -3.902 1.00 0.00 C ATOM 625 CE1 TYR A 662 -2.065 14.632 -3.651 1.00 0.00 C ATOM 626 CE2 TYR A 662 0.238 15.275 -3.729 1.00 0.00 C ATOM 627 CZ TYR A 662 -1.094 15.609 -3.604 1.00 0.00 C ATOM 628 OH TYR A 662 -1.455 16.926 -3.431 1.00 0.00 O ATOM 0 H TYR A 662 2.101 11.815 -2.796 1.00 0.00 H new ATOM 0 HA TYR A 662 -0.535 10.922 -2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 662 0.938 11.458 -4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -0.749 10.987 -4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -2.462 12.548 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 662 1.641 13.692 -4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -3.107 14.897 -3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.996 16.043 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 662 -0.651 17.487 -3.419 1.00 0.00 H new ATOM 638 N CYS A 663 1.428 8.753 -3.701 1.00 0.00 N ATOM 639 CA CYS A 663 1.603 7.319 -4.019 1.00 0.00 C ATOM 640 C CYS A 663 1.511 6.449 -2.759 1.00 0.00 C ATOM 641 O CYS A 663 0.908 5.370 -2.759 1.00 0.00 O ATOM 642 CB CYS A 663 2.948 7.092 -4.716 1.00 0.00 C ATOM 643 SG CYS A 663 3.135 7.998 -6.270 1.00 0.00 S ATOM 0 H CYS A 663 2.214 9.338 -3.983 1.00 0.00 H new ATOM 0 HA CYS A 663 0.795 7.026 -4.690 1.00 0.00 H new ATOM 0 HB2 CYS A 663 3.750 7.384 -4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 663 3.068 6.027 -4.912 1.00 0.00 H new ATOM 0 HG CYS A 663 4.303 7.744 -6.782 1.00 0.00 H new ATOM 649 N ARG A 664 2.116 6.939 -1.682 1.00 0.00 N ATOM 650 CA ARG A 664 2.124 6.263 -0.407 1.00 0.00 C ATOM 651 C ARG A 664 0.738 6.401 0.222 1.00 0.00 C ATOM 652 O ARG A 664 0.233 5.490 0.880 1.00 0.00 O ATOM 653 CB ARG A 664 3.235 6.811 0.491 1.00 0.00 C ATOM 654 CG ARG A 664 4.605 6.930 -0.177 1.00 0.00 C ATOM 655 CD ARG A 664 5.705 7.211 0.838 1.00 0.00 C ATOM 656 NE ARG A 664 6.086 6.012 1.593 1.00 0.00 N ATOM 657 CZ ARG A 664 6.737 6.023 2.765 1.00 0.00 C ATOM 658 NH1 ARG A 664 7.097 7.168 3.343 1.00 0.00 N ATOM 659 NH2 ARG A 664 7.030 4.875 3.362 1.00 0.00 N ATOM 0 H ARG A 664 2.618 7.827 -1.679 1.00 0.00 H new ATOM 0 HA ARG A 664 2.339 5.203 -0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 664 2.937 7.795 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 664 3.328 6.165 1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 664 4.830 6.007 -0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 664 4.580 7.729 -0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 664 6.580 7.606 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 664 5.369 7.982 1.531 1.00 0.00 H new ATOM 0 HE ARG A 664 5.838 5.105 1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 664 6.878 8.057 2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 664 7.592 7.156 4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 664 6.760 3.992 2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 664 7.525 4.876 4.254 1.00 0.00 H new ATOM 673 N ASP A 665 0.161 7.599 0.026 1.00 0.00 N ATOM 674 CA ASP A 665 -1.185 7.962 0.490 1.00 0.00 C ATOM 675 C ASP A 665 -2.233 6.926 0.074 1.00 0.00 C ATOM 676 O ASP A 665 -3.128 6.625 0.840 1.00 0.00 O ATOM 677 CB ASP A 665 -1.585 9.342 -0.047 1.00 0.00 C ATOM 678 CG ASP A 665 -2.604 10.048 0.832 1.00 0.00 C ATOM 679 OD1 ASP A 665 -2.211 10.570 1.896 1.00 0.00 O ATOM 680 OD2 ASP A 665 -3.794 10.078 0.454 1.00 0.00 O ATOM 0 H ASP A 665 0.629 8.357 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 665 -1.151 7.990 1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 665 -0.694 9.964 -0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -1.994 9.231 -1.051 1.00 0.00 H new ATOM 685 N ILE A 666 -2.087 6.371 -1.140 1.00 0.00 N ATOM 686 CA ILE A 666 -3.074 5.437 -1.682 1.00 0.00 C ATOM 687 C ILE A 666 -2.880 4.105 -1.015 1.00 0.00 C ATOM 688 O ILE A 666 -3.819 3.386 -0.722 1.00 0.00 O ATOM 689 CB ILE A 666 -3.071 5.308 -3.240 1.00 0.00 C ATOM 690 CG1 ILE A 666 -1.667 5.122 -3.833 1.00 0.00 C ATOM 691 CG2 ILE A 666 -3.737 6.526 -3.861 1.00 0.00 C ATOM 692 CD1 ILE A 666 -1.254 3.673 -3.978 1.00 0.00 C ATOM 0 H ILE A 666 -1.297 6.555 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 666 -4.061 5.842 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 666 -3.633 4.405 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -1.629 5.601 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -0.944 5.635 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -3.732 6.430 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -4.766 6.598 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -3.192 7.425 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -0.252 3.621 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -1.258 3.194 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -1.954 3.159 -4.636 1.00 0.00 H new ATOM 704 N ASN A 667 -1.603 3.808 -0.812 1.00 0.00 N ATOM 705 CA ASN A 667 -1.144 2.581 -0.201 1.00 0.00 C ATOM 706 C ASN A 667 -1.842 2.235 1.145 1.00 0.00 C ATOM 707 O ASN A 667 -2.554 1.233 1.193 1.00 0.00 O ATOM 708 CB ASN A 667 0.354 2.725 -0.050 1.00 0.00 C ATOM 709 CG ASN A 667 1.133 2.044 -1.158 1.00 0.00 C ATOM 710 OD1 ASN A 667 1.034 0.837 -1.359 1.00 0.00 O ATOM 711 ND2 ASN A 667 1.912 2.829 -1.893 1.00 0.00 N ATOM 0 H ASN A 667 -0.843 4.435 -1.077 1.00 0.00 H new ATOM 0 HA ASN A 667 -1.407 1.736 -0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 667 0.611 3.784 -0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 667 0.658 2.307 0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 667 2.457 2.433 -2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 667 1.965 3.828 -1.692 1.00 0.00 H new ATOM 718 N GLN A 668 -1.693 3.036 2.229 1.00 0.00 N ATOM 719 CA GLN A 668 -2.391 2.706 3.507 1.00 0.00 C ATOM 720 C GLN A 668 -3.864 2.991 3.348 1.00 0.00 C ATOM 721 O GLN A 668 -4.715 2.256 3.838 1.00 0.00 O ATOM 722 CB GLN A 668 -1.802 3.398 4.771 1.00 0.00 C ATOM 723 CG GLN A 668 -2.685 4.437 5.466 1.00 0.00 C ATOM 724 CD GLN A 668 -2.149 4.830 6.829 1.00 0.00 C ATOM 725 OE1 GLN A 668 -1.321 5.733 6.948 1.00 0.00 O ATOM 726 NE2 GLN A 668 -2.620 4.151 7.867 1.00 0.00 N ATOM 0 H GLN A 668 -1.122 3.881 2.253 1.00 0.00 H new ATOM 0 HA GLN A 668 -2.229 1.644 3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -1.554 2.624 5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -0.867 3.882 4.488 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -2.760 5.325 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -3.693 4.038 5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -3.306 3.410 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -2.296 4.370 8.809 1.00 0.00 H new ATOM 735 N LEU A 669 -4.134 4.091 2.659 1.00 0.00 N ATOM 736 CA LEU A 669 -5.481 4.519 2.362 1.00 0.00 C ATOM 737 C LEU A 669 -6.257 3.345 1.759 1.00 0.00 C ATOM 738 O LEU A 669 -7.245 2.888 2.333 1.00 0.00 O ATOM 739 CB LEU A 669 -5.386 5.678 1.374 1.00 0.00 C ATOM 740 CG LEU A 669 -6.530 6.705 1.425 1.00 0.00 C ATOM 741 CD1 LEU A 669 -6.059 8.055 0.908 1.00 0.00 C ATOM 742 CD2 LEU A 669 -7.730 6.225 0.616 1.00 0.00 C ATOM 0 H LEU A 669 -3.414 4.712 2.290 1.00 0.00 H new ATOM 0 HA LEU A 669 -6.006 4.845 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -4.446 6.202 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -5.339 5.267 0.366 1.00 0.00 H new ATOM 0 HG LEU A 669 -6.837 6.814 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -6.882 8.769 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -5.235 8.413 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -5.722 7.952 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -8.525 6.969 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -7.434 6.082 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -8.090 5.280 1.024 1.00 0.00 H new ATOM 754 N SER A 670 -5.727 2.796 0.655 1.00 0.00 N ATOM 755 CA SER A 670 -6.349 1.654 -0.015 1.00 0.00 C ATOM 756 C SER A 670 -6.186 0.355 0.793 1.00 0.00 C ATOM 757 O SER A 670 -7.195 -0.244 1.176 1.00 0.00 O ATOM 758 CB SER A 670 -5.793 1.474 -1.435 1.00 0.00 C ATOM 759 OG SER A 670 -6.550 0.525 -2.169 1.00 0.00 O ATOM 0 H SER A 670 -4.870 3.127 0.211 1.00 0.00 H new ATOM 0 HA SER A 670 -7.415 1.870 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 670 -5.803 2.431 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 670 -4.753 1.151 -1.382 1.00 0.00 H new ATOM 0 HG SER A 670 -6.174 0.432 -3.069 1.00 0.00 H new ATOM 765 N GLU A 671 -4.931 -0.084 1.074 1.00 0.00 N ATOM 766 CA GLU A 671 -4.730 -1.340 1.812 1.00 0.00 C ATOM 767 C GLU A 671 -5.041 -1.219 3.306 1.00 0.00 C ATOM 768 O GLU A 671 -5.963 -1.880 3.794 1.00 0.00 O ATOM 769 CB GLU A 671 -3.310 -1.896 1.617 1.00 0.00 C ATOM 770 CG GLU A 671 -3.238 -3.425 1.659 1.00 0.00 C ATOM 771 CD GLU A 671 -3.490 -4.016 3.036 1.00 0.00 C ATOM 772 OE1 GLU A 671 -2.528 -4.154 3.809 1.00 0.00 O ATOM 773 OE2 GLU A 671 -4.658 -4.342 3.336 1.00 0.00 O ATOM 0 H GLU A 671 -4.074 0.401 0.807 1.00 0.00 H new ATOM 0 HA GLU A 671 -5.447 -2.042 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -2.921 -1.549 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -2.660 -1.489 2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -3.969 -3.833 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -2.254 -3.742 1.313 1.00 0.00 H new ATOM 780 N ALA A 672 -4.271 -0.383 4.030 1.00 0.00 N ATOM 781 CA ALA A 672 -4.471 -0.222 5.492 1.00 0.00 C ATOM 782 C ALA A 672 -5.913 0.135 5.922 1.00 0.00 C ATOM 783 O ALA A 672 -6.393 -0.419 6.915 1.00 0.00 O ATOM 784 CB ALA A 672 -3.493 0.779 6.073 1.00 0.00 C ATOM 0 H ALA A 672 -3.518 0.183 3.640 1.00 0.00 H new ATOM 0 HA ALA A 672 -4.278 -1.214 5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -3.665 0.875 7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -2.474 0.435 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -3.636 1.748 5.594 1.00 0.00 H new ATOM 790 N LEU A 673 -6.610 1.043 5.198 1.00 0.00 N ATOM 791 CA LEU A 673 -7.982 1.434 5.581 1.00 0.00 C ATOM 792 C LEU A 673 -9.011 0.330 5.288 1.00 0.00 C ATOM 793 O LEU A 673 -9.899 0.078 6.106 1.00 0.00 O ATOM 794 CB LEU A 673 -8.392 2.742 4.890 1.00 0.00 C ATOM 795 CG LEU A 673 -9.476 3.564 5.604 1.00 0.00 C ATOM 796 CD1 LEU A 673 -8.861 4.490 6.647 1.00 0.00 C ATOM 797 CD2 LEU A 673 -10.285 4.364 4.593 1.00 0.00 C ATOM 0 H LEU A 673 -6.252 1.508 4.364 1.00 0.00 H new ATOM 0 HA LEU A 673 -7.973 1.591 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -7.505 3.365 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -8.744 2.506 3.886 1.00 0.00 H new ATOM 0 HG LEU A 673 -10.144 2.873 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -9.650 5.060 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -8.326 3.898 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -8.167 5.175 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -11.049 4.941 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -9.624 5.041 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -10.762 3.683 3.888 1.00 0.00 H new ATOM 809 N LEU A 674 -8.881 -0.325 4.122 1.00 0.00 N ATOM 810 CA LEU A 674 -9.803 -1.399 3.711 1.00 0.00 C ATOM 811 C LEU A 674 -9.669 -2.645 4.604 1.00 0.00 C ATOM 812 O LEU A 674 -10.674 -3.260 4.972 1.00 0.00 O ATOM 813 CB LEU A 674 -9.559 -1.774 2.240 1.00 0.00 C ATOM 814 CG LEU A 674 -10.760 -2.374 1.492 1.00 0.00 C ATOM 815 CD1 LEU A 674 -10.712 -1.990 0.021 1.00 0.00 C ATOM 816 CD2 LEU A 674 -10.788 -3.890 1.638 1.00 0.00 C ATOM 0 H LEU A 674 -8.144 -0.129 3.445 1.00 0.00 H new ATOM 0 HA LEU A 674 -10.819 -1.020 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -9.233 -0.881 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -8.736 -2.488 2.199 1.00 0.00 H new ATOM 0 HG LEU A 674 -11.671 -1.970 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -11.569 -2.422 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -10.741 -0.904 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -9.791 -2.368 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -11.647 -4.292 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -9.872 -4.312 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -10.866 -4.153 2.693 1.00 0.00 H new ATOM 828 N SER A 675 -8.421 -3.000 4.944 1.00 0.00 N ATOM 829 CA SER A 675 -8.125 -4.170 5.785 1.00 0.00 C ATOM 830 C SER A 675 -8.517 -3.951 7.255 1.00 0.00 C ATOM 831 O SER A 675 -9.057 -4.857 7.896 1.00 0.00 O ATOM 832 CB SER A 675 -6.638 -4.524 5.688 1.00 0.00 C ATOM 833 OG SER A 675 -5.822 -3.411 6.015 1.00 0.00 O ATOM 0 H SER A 675 -7.592 -2.487 4.645 1.00 0.00 H new ATOM 0 HA SER A 675 -8.727 -4.997 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 675 -6.414 -5.352 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 675 -6.408 -4.863 4.678 1.00 0.00 H new ATOM 0 HG SER A 675 -5.753 -2.816 5.239 1.00 0.00 H new ATOM 839 N LEU A 676 -8.239 -2.744 7.775 1.00 0.00 N ATOM 840 CA LEU A 676 -8.540 -2.392 9.173 1.00 0.00 C ATOM 841 C LEU A 676 -10.048 -2.209 9.417 1.00 0.00 C ATOM 842 O LEU A 676 -10.569 -2.664 10.440 1.00 0.00 O ATOM 843 CB LEU A 676 -7.781 -1.112 9.563 1.00 0.00 C ATOM 844 CG LEU A 676 -7.478 -0.940 11.060 1.00 0.00 C ATOM 845 CD1 LEU A 676 -6.167 -0.193 11.251 1.00 0.00 C ATOM 846 CD2 LEU A 676 -8.612 -0.200 11.760 1.00 0.00 C ATOM 0 H LEU A 676 -7.803 -1.990 7.244 1.00 0.00 H new ATOM 0 HA LEU A 676 -8.211 -3.222 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -6.838 -1.091 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -8.362 -0.252 9.229 1.00 0.00 H new ATOM 0 HG LEU A 676 -7.387 -1.931 11.506 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -5.965 -0.079 12.316 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -5.357 -0.755 10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -6.238 0.791 10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -8.376 -0.090 12.818 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -8.735 0.786 11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -9.537 -0.766 11.652 1.00 0.00 H new ATOM 858 N ASN A 677 -10.737 -1.545 8.474 1.00 0.00 N ATOM 859 CA ASN A 677 -12.183 -1.294 8.584 1.00 0.00 C ATOM 860 C ASN A 677 -13.010 -2.569 8.364 1.00 0.00 C ATOM 861 O ASN A 677 -13.864 -2.905 9.189 1.00 0.00 O ATOM 862 CB ASN A 677 -12.614 -0.201 7.599 1.00 0.00 C ATOM 863 CG ASN A 677 -12.374 1.195 8.142 1.00 0.00 C ATOM 864 OD1 ASN A 677 -13.247 1.782 8.781 1.00 0.00 O ATOM 865 ND2 ASN A 677 -11.186 1.733 7.892 1.00 0.00 N ATOM 0 H ASN A 677 -10.314 -1.171 7.624 1.00 0.00 H new ATOM 0 HA ASN A 677 -12.376 -0.954 9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -12.068 -0.323 6.664 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -13.672 -0.321 7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -10.968 2.669 8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -10.492 1.210 7.358 1.00 0.00 H new ATOM 872 N PHE A 678 -12.749 -3.270 7.247 1.00 0.00 N ATOM 873 CA PHE A 678 -13.460 -4.512 6.908 1.00 0.00 C ATOM 874 C PHE A 678 -13.021 -5.680 7.801 1.00 0.00 C ATOM 875 O PHE A 678 -11.822 -6.035 7.771 1.00 0.00 O ATOM 876 CB PHE A 678 -13.250 -4.865 5.430 1.00 0.00 C ATOM 877 CG PHE A 678 -14.027 -3.991 4.484 1.00 0.00 C ATOM 878 CD1 PHE A 678 -13.483 -2.811 4.003 1.00 0.00 C ATOM 879 CD2 PHE A 678 -15.302 -4.351 4.077 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.194 -2.007 3.133 1.00 0.00 C ATOM 881 CE2 PHE A 678 -16.019 -3.551 3.208 1.00 0.00 C ATOM 882 CZ PHE A 678 -15.464 -2.377 2.735 1.00 0.00 C ATOM 883 OXT PHE A 678 -13.882 -6.226 8.521 1.00 0.00 O ATOM 0 H PHE A 678 -12.046 -2.994 6.561 1.00 0.00 H new ATOM 0 HA PHE A 678 -14.522 -4.340 7.085 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -12.189 -4.787 5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -13.537 -5.904 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -12.491 -2.516 4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -15.740 -5.268 4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -13.757 -1.090 2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -17.012 -3.843 2.899 1.00 0.00 H new ATOM 0 HZ PHE A 678 -16.022 -1.750 2.055 1.00 0.00 H new