USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 407 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 45 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.27) USER MOD Single : A 47 THR OG1 : rot 152:sc= -2.24 USER MOD Single : A 51 ASN : amide:sc= -2.2 X(o=-2.2,f=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ -155:sc= -0.0779 (180deg=-0.556) USER MOD Single : A 60 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0804 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -6:sc= -1.12 USER MOD Single : A 76 SER OG : rot -123:sc= 0.637 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-3.6!) USER MOD Single : A 88 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 40 4.551 1.616 5.098 1.00 0.00 N ATOM 17 CA ILE A 40 3.701 2.693 4.600 1.00 0.00 C ATOM 18 C ILE A 40 4.433 4.032 4.642 1.00 0.00 C ATOM 19 O ILE A 40 5.016 4.401 5.661 1.00 0.00 O ATOM 20 CB ILE A 40 2.420 2.792 5.456 1.00 0.00 C ATOM 21 CG1 ILE A 40 1.484 3.864 4.894 1.00 0.00 C ATOM 22 CG2 ILE A 40 2.766 3.089 6.908 1.00 0.00 C ATOM 23 CD1 ILE A 40 0.096 3.351 4.579 1.00 0.00 C ATOM 0 HA ILE A 40 3.441 2.465 3.566 1.00 0.00 H new ATOM 0 HB ILE A 40 1.906 1.832 5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.406 4.680 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.923 4.279 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.849 3.155 7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.393 2.290 7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.304 4.035 6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.512 4.165 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.162 2.555 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.363 2.962 5.488 1.00 0.00 H new ATOM 35 N LEU A 41 4.357 4.781 3.543 1.00 0.00 N ATOM 36 CA LEU A 41 4.995 6.093 3.465 1.00 0.00 C ATOM 37 C LEU A 41 4.000 7.105 2.928 1.00 0.00 C ATOM 38 O LEU A 41 3.348 6.848 1.918 1.00 0.00 O ATOM 39 CB LEU A 41 6.194 6.027 2.517 1.00 0.00 C ATOM 40 CG LEU A 41 7.540 6.395 3.146 1.00 0.00 C ATOM 41 CD1 LEU A 41 8.439 5.171 3.249 1.00 0.00 C ATOM 42 CD2 LEU A 41 8.224 7.493 2.345 1.00 0.00 C ATOM 0 H LEU A 41 3.861 4.502 2.696 1.00 0.00 H new ATOM 0 HA LEU A 41 5.329 6.389 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.263 5.017 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.009 6.695 1.675 1.00 0.00 H new ATOM 0 HG LEU A 41 7.354 6.769 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.390 5.455 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.956 4.416 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.616 4.764 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.179 7.740 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.394 7.147 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.589 8.379 2.327 1.00 0.00 H new ATOM 54 N ILE A 42 3.898 8.269 3.555 1.00 0.00 N ATOM 55 CA ILE A 42 2.968 9.271 3.059 1.00 0.00 C ATOM 56 C ILE A 42 3.664 10.567 2.665 1.00 0.00 C ATOM 57 O ILE A 42 4.437 11.139 3.434 1.00 0.00 O ATOM 58 CB ILE A 42 1.903 9.595 4.127 1.00 0.00 C ATOM 59 CG1 ILE A 42 1.332 8.309 4.731 1.00 0.00 C ATOM 60 CG2 ILE A 42 0.792 10.443 3.528 1.00 0.00 C ATOM 61 CD1 ILE A 42 1.134 8.383 6.229 1.00 0.00 C ATOM 0 H ILE A 42 4.430 8.537 4.383 1.00 0.00 H new ATOM 0 HA ILE A 42 2.502 8.844 2.171 1.00 0.00 H new ATOM 0 HB ILE A 42 2.380 10.163 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.376 8.087 4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.002 7.480 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.049 10.663 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.210 11.376 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.320 9.899 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.727 7.438 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.091 8.574 6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.441 9.190 6.465 1.00 0.00 H new ATOM 73 N GLU A 43 3.331 11.041 1.471 1.00 0.00 N ATOM 74 CA GLU A 43 3.871 12.286 0.944 1.00 0.00 C ATOM 75 C GLU A 43 2.718 13.085 0.352 1.00 0.00 C ATOM 76 O GLU A 43 1.904 12.532 -0.376 1.00 0.00 O ATOM 77 CB GLU A 43 4.872 11.967 -0.170 1.00 0.00 C ATOM 78 CG GLU A 43 6.318 11.951 0.301 1.00 0.00 C ATOM 79 CD GLU A 43 7.085 13.185 -0.130 1.00 0.00 C ATOM 80 OE1 GLU A 43 6.483 14.279 -0.155 1.00 0.00 O ATOM 81 OE2 GLU A 43 8.288 13.059 -0.442 1.00 0.00 O ATOM 0 H GLU A 43 2.679 10.573 0.842 1.00 0.00 H new ATOM 0 HA GLU A 43 4.368 12.850 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.627 10.996 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.765 12.704 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.341 11.875 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.814 11.064 -0.092 1.00 0.00 H new ATOM 88 N GLY A 44 2.671 14.385 0.600 1.00 0.00 N ATOM 89 CA GLY A 44 1.603 15.193 0.029 1.00 0.00 C ATOM 90 C GLY A 44 0.215 14.631 0.325 1.00 0.00 C ATOM 91 O GLY A 44 -0.366 14.930 1.368 1.00 0.00 O ATOM 0 H GLY A 44 3.341 14.893 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.671 16.207 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.741 15.259 -1.050 1.00 0.00 H new ATOM 95 N ASN A 45 -0.323 13.824 -0.597 1.00 0.00 N ATOM 96 CA ASN A 45 -1.658 13.237 -0.418 1.00 0.00 C ATOM 97 C ASN A 45 -1.723 11.767 -0.862 1.00 0.00 C ATOM 98 O ASN A 45 -2.739 11.099 -0.666 1.00 0.00 O ATOM 99 CB ASN A 45 -2.699 14.052 -1.190 1.00 0.00 C ATOM 100 CG ASN A 45 -2.495 15.548 -1.040 1.00 0.00 C ATOM 101 OD1 ASN A 45 -2.924 16.148 -0.054 1.00 0.00 O ATOM 102 ND2 ASN A 45 -1.839 16.157 -2.020 1.00 0.00 N ATOM 0 H ASN A 45 0.140 13.564 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.875 13.266 0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.653 13.787 -2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.696 13.788 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.673 17.162 -1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.501 15.620 -2.819 1.00 0.00 H new ATOM 109 N ARG A 46 -0.640 11.266 -1.450 1.00 0.00 N ATOM 110 CA ARG A 46 -0.568 9.881 -1.912 1.00 0.00 C ATOM 111 C ARG A 46 0.413 9.093 -1.041 1.00 0.00 C ATOM 112 O ARG A 46 1.520 9.563 -0.757 1.00 0.00 O ATOM 113 CB ARG A 46 -0.085 9.879 -3.365 1.00 0.00 C ATOM 114 CG ARG A 46 1.327 10.414 -3.543 1.00 0.00 C ATOM 115 CD ARG A 46 1.568 10.891 -4.967 1.00 0.00 C ATOM 116 NE ARG A 46 0.530 11.813 -5.420 1.00 0.00 N ATOM 117 CZ ARG A 46 0.322 12.125 -6.697 1.00 0.00 C ATOM 118 NH1 ARG A 46 1.079 11.592 -7.649 1.00 0.00 N ATOM 119 NH2 ARG A 46 -0.645 12.970 -7.024 1.00 0.00 N ATOM 0 H ARG A 46 0.209 11.805 -1.620 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.550 9.414 -1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.129 8.861 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.769 10.478 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.495 11.238 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.047 9.634 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.539 11.382 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.605 10.031 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.071 12.243 -4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.824 10.940 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.915 11.834 -8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.230 13.382 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.804 13.209 -8.003 1.00 0.00 H new ATOM 133 N THR A 47 0.047 7.861 -0.691 1.00 0.00 N ATOM 134 CA THR A 47 0.918 7.004 0.096 1.00 0.00 C ATOM 135 C THR A 47 1.235 5.738 -0.685 1.00 0.00 C ATOM 136 O THR A 47 0.345 5.112 -1.247 1.00 0.00 O ATOM 137 CB THR A 47 0.198 6.638 1.393 1.00 0.00 C ATOM 138 OG1 THR A 47 -0.130 7.799 2.136 1.00 0.00 O ATOM 139 CG2 THR A 47 1.001 5.726 2.294 1.00 0.00 C ATOM 0 H THR A 47 -0.847 7.438 -0.942 1.00 0.00 H new ATOM 0 HA THR A 47 1.849 7.525 0.319 1.00 0.00 H new ATOM 0 HB THR A 47 -0.700 6.107 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.927 7.626 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.428 5.508 3.195 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.219 4.796 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.936 6.216 2.568 1.00 0.00 H new ATOM 147 N ILE A 48 2.487 5.321 -0.641 1.00 0.00 N ATOM 148 CA ILE A 48 2.915 4.094 -1.303 1.00 0.00 C ATOM 149 C ILE A 48 3.247 3.038 -0.258 1.00 0.00 C ATOM 150 O ILE A 48 3.946 3.325 0.717 1.00 0.00 O ATOM 151 CB ILE A 48 4.175 4.374 -2.144 1.00 0.00 C ATOM 152 CG1 ILE A 48 3.922 5.535 -3.110 1.00 0.00 C ATOM 153 CG2 ILE A 48 4.600 3.127 -2.905 1.00 0.00 C ATOM 154 CD1 ILE A 48 4.069 6.898 -2.468 1.00 0.00 C ATOM 0 H ILE A 48 3.233 5.815 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 48 2.111 3.737 -1.947 1.00 0.00 H new ATOM 0 HB ILE A 48 4.985 4.654 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.617 5.459 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.917 5.442 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.492 3.346 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.819 2.326 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.795 2.814 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.876 7.673 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.355 6.994 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.082 7.011 -2.081 1.00 0.00 H new ATOM 166 N ILE A 49 2.828 1.795 -0.496 1.00 0.00 N ATOM 167 CA ILE A 49 3.146 0.724 0.427 1.00 0.00 C ATOM 168 C ILE A 49 3.982 -0.342 -0.242 1.00 0.00 C ATOM 169 O ILE A 49 3.620 -0.889 -1.282 1.00 0.00 O ATOM 170 CB ILE A 49 1.888 0.079 1.025 1.00 0.00 C ATOM 171 CG1 ILE A 49 1.010 1.149 1.661 1.00 0.00 C ATOM 172 CG2 ILE A 49 2.266 -0.980 2.053 1.00 0.00 C ATOM 173 CD1 ILE A 49 -0.281 0.611 2.238 1.00 0.00 C ATOM 0 H ILE A 49 2.277 1.515 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 49 3.716 1.178 1.237 1.00 0.00 H new ATOM 0 HB ILE A 49 1.329 -0.407 0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.572 1.645 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.776 1.906 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.361 -1.426 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.866 -1.754 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.842 -0.519 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.854 1.430 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.865 0.140 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.056 -0.125 3.010 1.00 0.00 H new ATOM 185 N ARG A 50 5.099 -0.637 0.389 1.00 0.00 N ATOM 186 CA ARG A 50 6.008 -1.654 -0.102 1.00 0.00 C ATOM 187 C ARG A 50 5.549 -3.011 0.399 1.00 0.00 C ATOM 188 O ARG A 50 6.320 -3.765 0.994 1.00 0.00 O ATOM 189 CB ARG A 50 7.439 -1.364 0.361 1.00 0.00 C ATOM 190 CG ARG A 50 8.479 -1.536 -0.735 1.00 0.00 C ATOM 191 CD ARG A 50 9.523 -0.430 -0.695 1.00 0.00 C ATOM 192 NE ARG A 50 9.278 0.591 -1.710 1.00 0.00 N ATOM 193 CZ ARG A 50 10.003 1.702 -1.835 1.00 0.00 C ATOM 194 NH1 ARG A 50 11.016 1.938 -1.010 1.00 0.00 N ATOM 195 NH2 ARG A 50 9.714 2.577 -2.787 1.00 0.00 N ATOM 0 H ARG A 50 5.402 -0.183 1.251 1.00 0.00 H new ATOM 0 HA ARG A 50 6.003 -1.650 -1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.489 -0.344 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.685 -2.026 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.969 -2.503 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.987 -1.537 -1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.523 0.033 0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.513 -0.860 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 50 8.507 0.445 -2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.243 1.267 -0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.568 2.790 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.937 2.400 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.269 3.428 -2.883 1.00 0.00 H new ATOM 209 N ASN A 51 4.273 -3.310 0.167 1.00 0.00 N ATOM 210 CA ASN A 51 3.700 -4.565 0.609 1.00 0.00 C ATOM 211 C ASN A 51 3.869 -5.654 -0.437 1.00 0.00 C ATOM 212 O ASN A 51 3.031 -6.544 -0.576 1.00 0.00 O ATOM 213 CB ASN A 51 2.227 -4.385 0.974 1.00 0.00 C ATOM 214 CG ASN A 51 1.704 -5.502 1.856 1.00 0.00 C ATOM 215 OD1 ASN A 51 1.578 -6.646 1.422 1.00 0.00 O ATOM 216 ND2 ASN A 51 1.395 -5.173 3.106 1.00 0.00 N ATOM 0 H ASN A 51 3.622 -2.697 -0.324 1.00 0.00 H new ATOM 0 HA ASN A 51 4.240 -4.881 1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.097 -3.432 1.486 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.633 -4.340 0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.038 -5.882 3.747 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.515 -4.212 3.425 1.00 0.00 H new ATOM 223 N PHE A 52 4.958 -5.556 -1.182 1.00 0.00 N ATOM 224 CA PHE A 52 5.263 -6.507 -2.241 1.00 0.00 C ATOM 225 C PHE A 52 4.994 -7.957 -1.860 1.00 0.00 C ATOM 226 O PHE A 52 4.465 -8.684 -2.679 1.00 0.00 O ATOM 227 CB PHE A 52 6.715 -6.410 -2.713 1.00 0.00 C ATOM 228 CG PHE A 52 6.953 -7.173 -3.998 1.00 0.00 C ATOM 229 CD1 PHE A 52 5.879 -7.614 -4.770 1.00 0.00 C ATOM 230 CD2 PHE A 52 8.237 -7.455 -4.435 1.00 0.00 C ATOM 231 CE1 PHE A 52 6.080 -8.312 -5.941 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.446 -8.157 -5.611 1.00 0.00 C ATOM 233 CZ PHE A 52 7.366 -8.586 -6.364 1.00 0.00 C ATOM 0 H PHE A 52 5.654 -4.818 -1.071 1.00 0.00 H new ATOM 0 HA PHE A 52 4.585 -6.224 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.977 -5.362 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.374 -6.797 -1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.871 -7.405 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.084 -7.124 -3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.235 -8.644 -6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.452 -8.370 -5.941 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.529 -9.134 -7.280 1.00 0.00 H new ATOM 243 N ARG A 53 5.361 -8.418 -0.672 1.00 0.00 N ATOM 244 CA ARG A 53 5.119 -9.832 -0.322 1.00 0.00 C ATOM 245 C ARG A 53 3.702 -10.275 -0.741 1.00 0.00 C ATOM 246 O ARG A 53 3.508 -10.973 -1.752 1.00 0.00 O ATOM 247 CB ARG A 53 5.308 -10.043 1.182 1.00 0.00 C ATOM 248 CG ARG A 53 6.680 -10.583 1.551 1.00 0.00 C ATOM 249 CD ARG A 53 7.021 -10.292 3.003 1.00 0.00 C ATOM 250 NE ARG A 53 6.048 -10.879 3.922 1.00 0.00 N ATOM 251 CZ ARG A 53 6.247 -11.002 5.232 1.00 0.00 C ATOM 252 NH1 ARG A 53 7.380 -10.582 5.781 1.00 0.00 N ATOM 253 NH2 ARG A 53 5.309 -11.546 5.995 1.00 0.00 N ATOM 0 H ARG A 53 5.814 -7.862 0.053 1.00 0.00 H new ATOM 0 HA ARG A 53 5.842 -10.442 -0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.149 -9.095 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.546 -10.733 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.707 -11.659 1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.434 -10.137 0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.013 -10.683 3.228 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.061 -9.214 3.157 1.00 0.00 H new ATOM 0 HE ARG A 53 5.165 -11.214 3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.104 -10.162 5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.527 -10.679 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.436 -11.870 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.460 -11.641 6.999 1.00 0.00 H new ATOM 267 N GLU A 54 2.716 -9.830 0.033 1.00 0.00 N ATOM 268 CA GLU A 54 1.319 -10.132 -0.250 1.00 0.00 C ATOM 269 C GLU A 54 1.019 -9.820 -1.707 1.00 0.00 C ATOM 270 O GLU A 54 0.415 -10.619 -2.423 1.00 0.00 O ATOM 271 CB GLU A 54 0.399 -9.321 0.665 1.00 0.00 C ATOM 272 CG GLU A 54 -1.057 -9.754 0.598 1.00 0.00 C ATOM 273 CD GLU A 54 -2.010 -8.580 0.491 1.00 0.00 C ATOM 274 OE1 GLU A 54 -1.825 -7.595 1.236 1.00 0.00 O ATOM 275 OE2 GLU A 54 -2.942 -8.645 -0.339 1.00 0.00 O ATOM 0 H GLU A 54 2.861 -9.257 0.864 1.00 0.00 H new ATOM 0 HA GLU A 54 1.139 -11.191 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.750 -9.412 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.469 -8.267 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.198 -10.411 -0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.301 -10.335 1.487 1.00 0.00 H new ATOM 282 N LEU A 55 1.453 -8.639 -2.132 1.00 0.00 N ATOM 283 CA LEU A 55 1.250 -8.182 -3.497 1.00 0.00 C ATOM 284 C LEU A 55 1.653 -9.254 -4.508 1.00 0.00 C ATOM 285 O LEU A 55 0.891 -9.552 -5.412 1.00 0.00 O ATOM 286 CB LEU A 55 2.042 -6.899 -3.749 1.00 0.00 C ATOM 287 CG LEU A 55 1.701 -6.165 -5.049 1.00 0.00 C ATOM 288 CD1 LEU A 55 2.259 -6.915 -6.248 1.00 0.00 C ATOM 289 CD2 LEU A 55 0.196 -5.986 -5.184 1.00 0.00 C ATOM 0 H LEU A 55 1.953 -7.975 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 55 0.187 -7.978 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.877 -6.219 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.104 -7.143 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 55 2.162 -5.178 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.007 -6.378 -7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.343 -6.990 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.828 -7.916 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.026 -5.462 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.287 -6.963 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.178 -5.404 -4.342 1.00 0.00 H new ATOM 301 N ALA A 56 2.840 -9.834 -4.358 1.00 0.00 N ATOM 302 CA ALA A 56 3.326 -10.871 -5.260 1.00 0.00 C ATOM 303 C ALA A 56 2.263 -11.930 -5.433 1.00 0.00 C ATOM 304 O ALA A 56 1.810 -12.208 -6.548 1.00 0.00 O ATOM 305 CB ALA A 56 4.611 -11.485 -4.724 1.00 0.00 C ATOM 0 H ALA A 56 3.491 -9.598 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 56 3.544 -10.425 -6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.959 -12.257 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.373 -10.711 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.422 -11.927 -3.746 1.00 0.00 H new ATOM 311 N LYS A 57 1.820 -12.493 -4.315 1.00 0.00 N ATOM 312 CA LYS A 57 0.751 -13.483 -4.377 1.00 0.00 C ATOM 313 C LYS A 57 -0.395 -12.881 -5.189 1.00 0.00 C ATOM 314 O LYS A 57 -0.932 -13.483 -6.135 1.00 0.00 O ATOM 315 CB LYS A 57 0.272 -13.858 -2.972 1.00 0.00 C ATOM 316 CG LYS A 57 1.392 -14.312 -2.048 1.00 0.00 C ATOM 317 CD LYS A 57 0.867 -15.208 -0.937 1.00 0.00 C ATOM 318 CE LYS A 57 0.923 -14.514 0.415 1.00 0.00 C ATOM 319 NZ LYS A 57 2.317 -14.160 0.803 1.00 0.00 N ATOM 0 H LYS A 57 2.172 -12.289 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 57 1.114 -14.395 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.229 -12.999 -2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.469 -14.654 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.146 -14.848 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.883 -13.441 -1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.161 -15.496 -1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.454 -16.125 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.315 -13.610 0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.489 -15.164 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.383 -14.093 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.970 -14.894 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.573 -13.245 0.380 1.00 0.00 H new ATOM 333 N ALA A 58 -0.735 -11.658 -4.815 1.00 0.00 N ATOM 334 CA ALA A 58 -1.779 -10.910 -5.477 1.00 0.00 C ATOM 335 C ALA A 58 -1.587 -10.879 -6.992 1.00 0.00 C ATOM 336 O ALA A 58 -2.532 -11.139 -7.733 1.00 0.00 O ATOM 337 CB ALA A 58 -1.845 -9.495 -4.924 1.00 0.00 C ATOM 0 H ALA A 58 -0.292 -11.160 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.723 -11.418 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.636 -8.943 -5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.056 -9.532 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.890 -8.995 -5.088 1.00 0.00 H new ATOM 343 N VAL A 59 -0.387 -10.538 -7.474 1.00 0.00 N ATOM 344 CA VAL A 59 -0.165 -10.456 -8.913 1.00 0.00 C ATOM 345 C VAL A 59 -0.648 -11.695 -9.607 1.00 0.00 C ATOM 346 O VAL A 59 -1.436 -11.556 -10.539 1.00 0.00 O ATOM 347 CB VAL A 59 1.275 -10.082 -9.363 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.251 -9.991 -8.201 1.00 0.00 C ATOM 349 CG2 VAL A 59 1.800 -11.037 -10.431 1.00 0.00 C ATOM 0 H VAL A 59 0.427 -10.319 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.767 -9.602 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 59 1.201 -9.086 -9.800 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.240 -9.727 -8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.913 -9.227 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.301 -10.953 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.809 -10.742 -10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.818 -12.052 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.148 -11.000 -11.304 1.00 0.00 H new ATOM 359 N ASN A 60 -0.244 -12.868 -9.122 1.00 0.00 N ATOM 360 CA ASN A 60 -0.710 -14.115 -9.709 1.00 0.00 C ATOM 361 C ASN A 60 -2.228 -14.066 -9.853 1.00 0.00 C ATOM 362 O ASN A 60 -2.791 -14.590 -10.815 1.00 0.00 O ATOM 363 CB ASN A 60 -0.297 -15.308 -8.843 1.00 0.00 C ATOM 364 CG ASN A 60 0.362 -16.409 -9.650 1.00 0.00 C ATOM 365 OD1 ASN A 60 1.088 -16.143 -10.608 1.00 0.00 O ATOM 366 ND2 ASN A 60 0.108 -17.656 -9.268 1.00 0.00 N ATOM 0 H ASN A 60 0.396 -12.977 -8.335 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.255 -14.239 -10.692 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.390 -14.969 -8.067 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.176 -15.708 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.521 -18.439 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.500 -17.830 -8.468 1.00 0.00 H new ATOM 373 N ARG A 61 -2.881 -13.411 -8.893 1.00 0.00 N ATOM 374 CA ARG A 61 -4.340 -13.271 -8.924 1.00 0.00 C ATOM 375 C ARG A 61 -4.763 -11.822 -9.215 1.00 0.00 C ATOM 376 O ARG A 61 -5.833 -11.388 -8.788 1.00 0.00 O ATOM 377 CB ARG A 61 -4.941 -13.732 -7.595 1.00 0.00 C ATOM 378 CG ARG A 61 -4.534 -15.142 -7.201 1.00 0.00 C ATOM 379 CD ARG A 61 -5.270 -15.609 -5.954 1.00 0.00 C ATOM 380 NE ARG A 61 -4.986 -17.007 -5.641 1.00 0.00 N ATOM 381 CZ ARG A 61 -5.555 -18.038 -6.264 1.00 0.00 C ATOM 382 NH1 ARG A 61 -6.436 -17.832 -7.236 1.00 0.00 N ATOM 383 NH2 ARG A 61 -5.242 -19.278 -5.913 1.00 0.00 N ATOM 0 H ARG A 61 -2.430 -12.972 -8.091 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.717 -13.899 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.636 -13.041 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.028 -13.681 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.742 -15.825 -8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.459 -15.175 -7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.984 -14.983 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.343 -15.480 -6.097 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.312 -17.206 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.680 -16.880 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.868 -18.626 -7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.566 -19.442 -5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.677 -20.068 -6.389 1.00 0.00 H new ATOM 397 N ASP A 62 -3.897 -11.073 -9.911 1.00 0.00 N ATOM 398 CA ASP A 62 -4.141 -9.659 -10.237 1.00 0.00 C ATOM 399 C ASP A 62 -3.669 -8.749 -9.112 1.00 0.00 C ATOM 400 O ASP A 62 -4.468 -8.214 -8.342 1.00 0.00 O ATOM 401 CB ASP A 62 -5.620 -9.404 -10.544 1.00 0.00 C ATOM 402 CG ASP A 62 -6.215 -10.463 -11.452 1.00 0.00 C ATOM 403 OD1 ASP A 62 -5.566 -10.814 -12.460 1.00 0.00 O ATOM 404 OD2 ASP A 62 -7.330 -10.940 -11.155 1.00 0.00 O ATOM 0 H ASP A 62 -3.008 -11.428 -10.264 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.564 -9.427 -11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.182 -9.373 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.727 -8.426 -11.013 1.00 0.00 H new ATOM 409 N GLU A 63 -2.352 -8.551 -9.059 1.00 0.00 N ATOM 410 CA GLU A 63 -1.735 -7.664 -8.063 1.00 0.00 C ATOM 411 C GLU A 63 -2.393 -6.328 -8.201 1.00 0.00 C ATOM 412 O GLU A 63 -2.763 -5.663 -7.225 1.00 0.00 O ATOM 413 CB GLU A 63 -0.225 -7.485 -8.277 1.00 0.00 C ATOM 414 CG GLU A 63 0.156 -6.967 -9.657 1.00 0.00 C ATOM 415 CD GLU A 63 0.130 -5.454 -9.740 1.00 0.00 C ATOM 416 OE1 GLU A 63 0.161 -4.800 -8.677 1.00 0.00 O ATOM 417 OE2 GLU A 63 0.079 -4.922 -10.870 1.00 0.00 O ATOM 0 H GLU A 63 -1.687 -8.992 -9.694 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.869 -8.105 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.157 -6.795 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.269 -8.442 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.154 -7.324 -9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.529 -7.380 -10.398 1.00 0.00 H new ATOM 424 N GLU A 64 -2.550 -5.964 -9.463 1.00 0.00 N ATOM 425 CA GLU A 64 -3.190 -4.714 -9.812 1.00 0.00 C ATOM 426 C GLU A 64 -4.494 -4.606 -9.037 1.00 0.00 C ATOM 427 O GLU A 64 -4.783 -3.602 -8.373 1.00 0.00 O ATOM 428 CB GLU A 64 -3.449 -4.637 -11.319 1.00 0.00 C ATOM 429 CG GLU A 64 -4.152 -5.861 -11.884 1.00 0.00 C ATOM 430 CD GLU A 64 -4.173 -5.873 -13.400 1.00 0.00 C ATOM 431 OE1 GLU A 64 -4.843 -5.000 -13.991 1.00 0.00 O ATOM 432 OE2 GLU A 64 -3.519 -6.754 -13.996 1.00 0.00 O ATOM 0 H GLU A 64 -2.242 -6.519 -10.261 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.536 -3.882 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.052 -3.754 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.498 -4.505 -11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.653 -6.761 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.175 -5.893 -11.510 1.00 0.00 H new ATOM 439 N PHE A 65 -5.256 -5.686 -9.111 1.00 0.00 N ATOM 440 CA PHE A 65 -6.521 -5.791 -8.420 1.00 0.00 C ATOM 441 C PHE A 65 -6.371 -5.432 -6.948 1.00 0.00 C ATOM 442 O PHE A 65 -7.179 -4.672 -6.414 1.00 0.00 O ATOM 443 CB PHE A 65 -7.090 -7.204 -8.560 1.00 0.00 C ATOM 444 CG PHE A 65 -8.572 -7.280 -8.334 1.00 0.00 C ATOM 445 CD1 PHE A 65 -9.459 -6.949 -9.346 1.00 0.00 C ATOM 446 CD2 PHE A 65 -9.080 -7.686 -7.110 1.00 0.00 C ATOM 447 CE1 PHE A 65 -10.823 -7.020 -9.141 1.00 0.00 C ATOM 448 CE2 PHE A 65 -10.444 -7.758 -6.899 1.00 0.00 C ATOM 449 CZ PHE A 65 -11.316 -7.426 -7.916 1.00 0.00 C ATOM 0 H PHE A 65 -5.010 -6.513 -9.654 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.213 -5.083 -8.877 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.863 -7.581 -9.557 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.588 -7.861 -7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.079 -6.632 -10.306 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.402 -7.949 -6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.504 -6.758 -9.938 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.827 -8.074 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.382 -7.484 -7.754 1.00 0.00 H new ATOM 459 N PHE A 66 -5.369 -6.000 -6.265 1.00 0.00 N ATOM 460 CA PHE A 66 -5.230 -5.708 -4.849 1.00 0.00 C ATOM 461 C PHE A 66 -5.111 -4.208 -4.550 1.00 0.00 C ATOM 462 O PHE A 66 -5.936 -3.668 -3.807 1.00 0.00 O ATOM 463 CB PHE A 66 -4.075 -6.381 -4.119 1.00 0.00 C ATOM 464 CG PHE A 66 -4.013 -5.655 -2.827 1.00 0.00 C ATOM 465 CD1 PHE A 66 -5.053 -5.823 -1.932 1.00 0.00 C ATOM 466 CD2 PHE A 66 -3.085 -4.659 -2.603 1.00 0.00 C ATOM 467 CE1 PHE A 66 -5.151 -5.036 -0.818 1.00 0.00 C ATOM 468 CE2 PHE A 66 -3.203 -3.837 -1.509 1.00 0.00 C ATOM 469 CZ PHE A 66 -4.238 -4.033 -0.617 1.00 0.00 C ATOM 0 H PHE A 66 -4.674 -6.636 -6.656 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.161 -6.129 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.258 -7.446 -3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.142 -6.291 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.797 -6.585 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.263 -4.525 -3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.942 -5.203 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.490 -3.042 -1.348 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.329 -3.391 0.247 1.00 0.00 H new ATOM 479 N ALA A 67 -4.063 -3.523 -5.052 1.00 0.00 N ATOM 480 CA ALA A 67 -3.917 -2.113 -4.728 1.00 0.00 C ATOM 481 C ALA A 67 -5.286 -1.459 -4.785 1.00 0.00 C ATOM 482 O ALA A 67 -5.685 -0.768 -3.855 1.00 0.00 O ATOM 483 CB ALA A 67 -2.939 -1.427 -5.672 1.00 0.00 C ATOM 0 H ALA A 67 -3.340 -3.913 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.506 -2.012 -3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.852 -0.374 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.962 -1.904 -5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.302 -1.511 -6.696 1.00 0.00 H new ATOM 489 N LYS A 68 -6.040 -1.727 -5.846 1.00 0.00 N ATOM 490 CA LYS A 68 -7.397 -1.197 -5.931 1.00 0.00 C ATOM 491 C LYS A 68 -8.108 -1.401 -4.581 1.00 0.00 C ATOM 492 O LYS A 68 -8.707 -0.475 -4.041 1.00 0.00 O ATOM 493 CB LYS A 68 -8.187 -1.876 -7.055 1.00 0.00 C ATOM 494 CG LYS A 68 -7.499 -1.822 -8.410 1.00 0.00 C ATOM 495 CD LYS A 68 -8.242 -2.652 -9.444 1.00 0.00 C ATOM 496 CE LYS A 68 -7.318 -3.109 -10.562 1.00 0.00 C ATOM 497 NZ LYS A 68 -7.393 -2.212 -11.748 1.00 0.00 N ATOM 0 H LYS A 68 -5.745 -2.294 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.343 -0.133 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.359 -2.918 -6.787 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.165 -1.402 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.438 -0.787 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.476 -2.187 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.688 -3.522 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.060 -2.066 -9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.292 -3.140 -10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.581 -4.124 -10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.748 -2.559 -12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.366 -2.202 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.117 -1.248 -11.472 1.00 0.00 H new ATOM 511 N TYR A 69 -8.021 -2.626 -4.049 1.00 0.00 N ATOM 512 CA TYR A 69 -8.624 -3.019 -2.762 1.00 0.00 C ATOM 513 C TYR A 69 -8.385 -2.005 -1.668 1.00 0.00 C ATOM 514 O TYR A 69 -9.330 -1.400 -1.164 1.00 0.00 O ATOM 515 CB TYR A 69 -8.087 -4.376 -2.279 1.00 0.00 C ATOM 516 CG TYR A 69 -8.947 -5.555 -2.692 1.00 0.00 C ATOM 517 CD1 TYR A 69 -10.335 -5.470 -2.667 1.00 0.00 C ATOM 518 CD2 TYR A 69 -8.373 -6.752 -3.102 1.00 0.00 C ATOM 519 CE1 TYR A 69 -11.123 -6.542 -3.040 1.00 0.00 C ATOM 520 CE2 TYR A 69 -9.156 -7.828 -3.476 1.00 0.00 C ATOM 521 CZ TYR A 69 -10.529 -7.717 -3.444 1.00 0.00 C ATOM 522 OH TYR A 69 -11.311 -8.786 -3.817 1.00 0.00 O ATOM 0 H TYR A 69 -7.521 -3.389 -4.506 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.695 -3.083 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.080 -4.518 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.007 -4.359 -1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.805 -4.550 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.297 -6.843 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.200 -6.459 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.694 -8.752 -3.792 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.737 -9.537 -4.076 1.00 0.00 H new ATOM 532 N LEU A 70 -7.124 -1.830 -1.283 1.00 0.00 N ATOM 533 CA LEU A 70 -6.806 -0.876 -0.218 1.00 0.00 C ATOM 534 C LEU A 70 -7.591 0.408 -0.451 1.00 0.00 C ATOM 535 O LEU A 70 -8.240 0.933 0.454 1.00 0.00 O ATOM 536 CB LEU A 70 -5.303 -0.602 -0.102 1.00 0.00 C ATOM 537 CG LEU A 70 -4.559 -0.412 -1.416 1.00 0.00 C ATOM 538 CD1 LEU A 70 -4.780 0.992 -1.954 1.00 0.00 C ATOM 539 CD2 LEU A 70 -3.073 -0.674 -1.220 1.00 0.00 C ATOM 0 H LEU A 70 -6.322 -2.321 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.100 -1.315 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.162 0.292 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.843 -1.430 0.437 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.949 -1.125 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.241 1.111 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.845 1.153 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.413 1.721 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.551 -0.535 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.675 0.021 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.927 -1.696 -0.872 1.00 0.00 H new ATOM 551 N LEU A 71 -7.560 0.873 -1.692 1.00 0.00 N ATOM 552 CA LEU A 71 -8.301 2.058 -2.092 1.00 0.00 C ATOM 553 C LEU A 71 -9.774 1.837 -1.781 1.00 0.00 C ATOM 554 O LEU A 71 -10.422 2.675 -1.154 1.00 0.00 O ATOM 555 CB LEU A 71 -8.083 2.349 -3.587 1.00 0.00 C ATOM 556 CG LEU A 71 -9.351 2.505 -4.438 1.00 0.00 C ATOM 557 CD1 LEU A 71 -10.110 3.761 -4.039 1.00 0.00 C ATOM 558 CD2 LEU A 71 -8.998 2.540 -5.919 1.00 0.00 C ATOM 0 H LEU A 71 -7.024 0.442 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.945 2.926 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.496 3.263 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.484 1.542 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.995 1.644 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.006 3.855 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.395 3.696 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.474 4.633 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.909 2.651 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.334 3.382 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.498 1.612 -6.196 1.00 0.00 H new ATOM 570 N LYS A 72 -10.287 0.678 -2.200 1.00 0.00 N ATOM 571 CA LYS A 72 -11.674 0.320 -1.939 1.00 0.00 C ATOM 572 C LYS A 72 -11.989 0.559 -0.471 1.00 0.00 C ATOM 573 O LYS A 72 -12.998 1.174 -0.126 1.00 0.00 O ATOM 574 CB LYS A 72 -11.932 -1.144 -2.304 1.00 0.00 C ATOM 575 CG LYS A 72 -13.282 -1.377 -2.962 1.00 0.00 C ATOM 576 CD LYS A 72 -14.421 -1.231 -1.967 1.00 0.00 C ATOM 577 CE LYS A 72 -15.557 -2.191 -2.280 1.00 0.00 C ATOM 578 NZ LYS A 72 -16.550 -2.261 -1.173 1.00 0.00 N ATOM 0 H LYS A 72 -9.760 -0.024 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.323 0.942 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.145 -1.486 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.867 -1.752 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.417 -0.667 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.307 -2.375 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.052 -1.418 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.793 -0.207 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.057 -1.875 -3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.151 -3.185 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.307 -2.927 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.080 -2.587 -0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.958 -1.318 -1.012 1.00 0.00 H new ATOM 592 N GLU A 73 -11.104 0.065 0.389 1.00 0.00 N ATOM 593 CA GLU A 73 -11.268 0.219 1.829 1.00 0.00 C ATOM 594 C GLU A 73 -11.345 1.695 2.211 1.00 0.00 C ATOM 595 O GLU A 73 -12.250 2.112 2.932 1.00 0.00 O ATOM 596 CB GLU A 73 -10.109 -0.451 2.568 1.00 0.00 C ATOM 597 CG GLU A 73 -10.042 -1.954 2.354 1.00 0.00 C ATOM 598 CD GLU A 73 -8.758 -2.561 2.887 1.00 0.00 C ATOM 599 OE1 GLU A 73 -8.206 -2.016 3.865 1.00 0.00 O ATOM 600 OE2 GLU A 73 -8.307 -3.582 2.325 1.00 0.00 O ATOM 0 H GLU A 73 -10.265 -0.446 0.113 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.202 -0.263 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.171 -0.003 2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.203 -0.248 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.894 -2.426 2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.127 -2.170 1.289 1.00 0.00 H new ATOM 607 N THR A 74 -10.389 2.478 1.720 1.00 0.00 N ATOM 608 CA THR A 74 -10.347 3.907 2.009 1.00 0.00 C ATOM 609 C THR A 74 -11.513 4.633 1.342 1.00 0.00 C ATOM 610 O THR A 74 -12.435 5.092 2.016 1.00 0.00 O ATOM 611 CB THR A 74 -9.021 4.504 1.537 1.00 0.00 C ATOM 612 OG1 THR A 74 -8.712 4.065 0.227 1.00 0.00 O ATOM 613 CG2 THR A 74 -7.852 4.144 2.430 1.00 0.00 C ATOM 0 H THR A 74 -9.633 2.147 1.120 1.00 0.00 H new ATOM 0 HA THR A 74 -10.433 4.037 3.088 1.00 0.00 H new ATOM 0 HB THR A 74 -9.162 5.584 1.568 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.367 3.394 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.942 4.599 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.038 4.513 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.734 3.061 2.456 1.00 0.00 H new ATOM 621 N GLY A 75 -11.469 4.728 0.016 1.00 0.00 N ATOM 622 CA GLY A 75 -12.533 5.395 -0.714 1.00 0.00 C ATOM 623 C GLY A 75 -12.021 6.454 -1.672 1.00 0.00 C ATOM 624 O GLY A 75 -12.583 6.644 -2.752 1.00 0.00 O ATOM 0 H GLY A 75 -10.718 4.356 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.103 4.653 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.219 5.856 -0.004 1.00 0.00 H new ATOM 628 N SER A 76 -10.958 7.149 -1.280 1.00 0.00 N ATOM 629 CA SER A 76 -10.380 8.199 -2.114 1.00 0.00 C ATOM 630 C SER A 76 -9.999 7.656 -3.495 1.00 0.00 C ATOM 631 O SER A 76 -10.826 7.638 -4.407 1.00 0.00 O ATOM 632 CB SER A 76 -9.164 8.819 -1.416 1.00 0.00 C ATOM 633 OG SER A 76 -8.253 9.369 -2.354 1.00 0.00 O ATOM 0 H SER A 76 -10.479 7.005 -0.391 1.00 0.00 H new ATOM 0 HA SER A 76 -11.130 8.976 -2.259 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.495 9.597 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.659 8.060 -0.819 1.00 0.00 H new ATOM 0 HG SER A 76 -7.372 8.958 -2.234 1.00 0.00 H new ATOM 639 N ALA A 77 -8.753 7.209 -3.649 1.00 0.00 N ATOM 640 CA ALA A 77 -8.293 6.668 -4.926 1.00 0.00 C ATOM 641 C ALA A 77 -7.099 5.752 -4.710 1.00 0.00 C ATOM 642 O ALA A 77 -6.346 5.941 -3.762 1.00 0.00 O ATOM 643 CB ALA A 77 -7.934 7.795 -5.882 1.00 0.00 C ATOM 0 H ALA A 77 -8.049 7.211 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.101 6.086 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.593 7.375 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.812 8.418 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.139 8.402 -5.447 1.00 0.00 H new ATOM 649 N GLY A 78 -6.926 4.754 -5.572 1.00 0.00 N ATOM 650 CA GLY A 78 -5.808 3.840 -5.403 1.00 0.00 C ATOM 651 C GLY A 78 -4.994 3.626 -6.667 1.00 0.00 C ATOM 652 O GLY A 78 -5.498 3.767 -7.780 1.00 0.00 O ATOM 0 H GLY A 78 -7.529 4.563 -6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.153 4.223 -4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.187 2.878 -5.059 1.00 0.00 H new ATOM 656 N ASN A 79 -3.726 3.276 -6.473 1.00 0.00 N ATOM 657 CA ASN A 79 -2.800 3.024 -7.570 1.00 0.00 C ATOM 658 C ASN A 79 -2.099 1.688 -7.338 1.00 0.00 C ATOM 659 O ASN A 79 -1.638 1.406 -6.237 1.00 0.00 O ATOM 660 CB ASN A 79 -1.766 4.150 -7.606 1.00 0.00 C ATOM 661 CG ASN A 79 -1.125 4.305 -8.971 1.00 0.00 C ATOM 662 OD1 ASN A 79 -1.167 3.392 -9.797 1.00 0.00 O ATOM 663 ND2 ASN A 79 -0.528 5.465 -9.215 1.00 0.00 N ATOM 0 H ASN A 79 -3.312 3.159 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.338 2.987 -8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.245 5.088 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.992 3.952 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.080 5.628 -10.117 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.518 6.193 -8.501 1.00 0.00 H new ATOM 670 N LEU A 80 -1.957 0.900 -8.393 1.00 0.00 N ATOM 671 CA LEU A 80 -1.278 -0.390 -8.295 1.00 0.00 C ATOM 672 C LEU A 80 0.025 -0.391 -9.089 1.00 0.00 C ATOM 673 O LEU A 80 0.063 0.051 -10.239 1.00 0.00 O ATOM 674 CB LEU A 80 -2.205 -1.455 -8.871 1.00 0.00 C ATOM 675 CG LEU A 80 -2.574 -1.243 -10.343 1.00 0.00 C ATOM 676 CD1 LEU A 80 -1.743 -2.148 -11.242 1.00 0.00 C ATOM 677 CD2 LEU A 80 -4.061 -1.473 -10.568 1.00 0.00 C ATOM 0 H LEU A 80 -2.301 1.127 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.041 -0.589 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.729 -2.430 -8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.120 -1.481 -8.280 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.351 -0.208 -10.603 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.021 -1.981 -12.283 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.685 -1.922 -11.108 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.927 -3.190 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.298 -1.317 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.318 -2.494 -10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.634 -0.773 -9.959 1.00 0.00 H new ATOM 689 N GLU A 81 1.072 -0.974 -8.507 1.00 0.00 N ATOM 690 CA GLU A 81 2.353 -1.094 -9.186 1.00 0.00 C ATOM 691 C GLU A 81 2.784 -2.549 -9.123 1.00 0.00 C ATOM 692 O GLU A 81 2.691 -3.164 -8.061 1.00 0.00 O ATOM 693 CB GLU A 81 3.372 -0.208 -8.465 1.00 0.00 C ATOM 694 CG GLU A 81 4.793 -0.356 -8.990 1.00 0.00 C ATOM 695 CD GLU A 81 5.280 0.882 -9.716 1.00 0.00 C ATOM 696 OE1 GLU A 81 4.644 1.271 -10.719 1.00 0.00 O ATOM 697 OE2 GLU A 81 6.297 1.464 -9.284 1.00 0.00 O ATOM 0 H GLU A 81 1.054 -1.369 -7.567 1.00 0.00 H new ATOM 0 HA GLU A 81 2.280 -0.779 -10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.066 0.834 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.360 -0.448 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.463 -0.571 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.839 -1.210 -9.665 1.00 0.00 H new ATOM 704 N GLY A 82 3.325 -3.086 -10.201 1.00 0.00 N ATOM 705 CA GLY A 82 3.789 -4.467 -10.177 1.00 0.00 C ATOM 706 C GLY A 82 4.877 -4.756 -9.138 1.00 0.00 C ATOM 707 O GLY A 82 6.014 -5.054 -9.507 1.00 0.00 O ATOM 0 H GLY A 82 3.454 -2.601 -11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.937 -5.119 -9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.170 -4.726 -11.165 1.00 0.00 H new ATOM 711 N GLY A 83 4.535 -4.704 -7.841 1.00 0.00 N ATOM 712 CA GLY A 83 5.525 -5.008 -6.800 1.00 0.00 C ATOM 713 C GLY A 83 5.204 -4.415 -5.443 1.00 0.00 C ATOM 714 O GLY A 83 5.572 -4.939 -4.407 1.00 0.00 O ATOM 0 H GLY A 83 3.606 -4.461 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.609 -6.090 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.499 -4.641 -7.123 1.00 0.00 H new ATOM 718 N ARG A 84 4.536 -3.317 -5.490 1.00 0.00 N ATOM 719 CA ARG A 84 4.122 -2.547 -4.348 1.00 0.00 C ATOM 720 C ARG A 84 2.670 -2.158 -4.589 1.00 0.00 C ATOM 721 O ARG A 84 2.287 -1.759 -5.690 1.00 0.00 O ATOM 722 CB ARG A 84 4.981 -1.278 -4.268 1.00 0.00 C ATOM 723 CG ARG A 84 5.345 -0.683 -5.621 1.00 0.00 C ATOM 724 CD ARG A 84 6.821 -0.870 -5.937 1.00 0.00 C ATOM 725 NE ARG A 84 7.389 0.295 -6.609 1.00 0.00 N ATOM 726 CZ ARG A 84 8.695 0.554 -6.667 1.00 0.00 C ATOM 727 NH1 ARG A 84 9.568 -0.273 -6.104 1.00 0.00 N ATOM 728 NH2 ARG A 84 9.128 1.639 -7.294 1.00 0.00 N ATOM 0 H ARG A 84 4.242 -2.900 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 84 4.231 -3.110 -3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.446 -0.527 -3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.899 -1.508 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.744 -1.153 -6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.103 0.380 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.368 -1.058 -5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.948 -1.750 -6.568 1.00 0.00 H new ATOM 0 HE ARG A 84 6.749 0.949 -7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.240 -1.111 -5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.566 -0.070 -6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.462 2.275 -7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.127 1.838 -7.339 1.00 0.00 H new ATOM 742 N LEU A 85 1.913 -2.139 -3.524 1.00 0.00 N ATOM 743 CA LEU A 85 0.513 -1.694 -3.606 1.00 0.00 C ATOM 744 C LEU A 85 0.462 -0.304 -2.973 1.00 0.00 C ATOM 745 O LEU A 85 1.027 -0.082 -1.903 1.00 0.00 O ATOM 746 CB LEU A 85 -0.377 -2.680 -2.838 1.00 0.00 C ATOM 747 CG LEU A 85 0.189 -3.227 -1.527 1.00 0.00 C ATOM 748 CD1 LEU A 85 -0.192 -2.326 -0.363 1.00 0.00 C ATOM 749 CD2 LEU A 85 -0.310 -4.648 -1.293 1.00 0.00 C ATOM 0 H LEU A 85 2.220 -2.419 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 85 0.155 -1.656 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.325 -2.188 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.598 -3.523 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 85 1.277 -3.248 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.220 -2.732 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.209 -1.326 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.278 -2.273 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.099 -5.028 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.399 -4.647 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.012 -5.287 -2.115 1.00 0.00 H new ATOM 761 N ILE A 86 -0.230 0.624 -3.627 1.00 0.00 N ATOM 762 CA ILE A 86 -0.325 1.999 -3.140 1.00 0.00 C ATOM 763 C ILE A 86 -1.758 2.390 -2.818 1.00 0.00 C ATOM 764 O ILE A 86 -2.672 2.152 -3.617 1.00 0.00 O ATOM 765 CB ILE A 86 0.213 2.947 -4.236 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.646 2.563 -4.607 1.00 0.00 C ATOM 767 CG2 ILE A 86 0.151 4.401 -3.791 1.00 0.00 C ATOM 768 CD1 ILE A 86 2.100 3.126 -5.937 1.00 0.00 C ATOM 0 H ILE A 86 -0.734 0.450 -4.496 1.00 0.00 H new ATOM 0 HA ILE A 86 0.260 2.076 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.422 2.842 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.321 2.912 -3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.726 1.476 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.537 5.041 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.883 4.672 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.755 4.533 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.125 2.813 -6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.449 2.757 -6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.053 4.215 -5.906 1.00 0.00 H new ATOM 780 N LEU A 87 -1.931 3.102 -1.708 1.00 0.00 N ATOM 781 CA LEU A 87 -3.235 3.611 -1.319 1.00 0.00 C ATOM 782 C LEU A 87 -3.151 5.119 -1.161 1.00 0.00 C ATOM 783 O LEU A 87 -2.234 5.645 -0.527 1.00 0.00 O ATOM 784 CB LEU A 87 -3.671 2.941 -0.001 1.00 0.00 C ATOM 785 CG LEU A 87 -2.972 3.406 1.288 1.00 0.00 C ATOM 786 CD1 LEU A 87 -1.459 3.382 1.137 1.00 0.00 C ATOM 787 CD2 LEU A 87 -3.458 4.788 1.706 1.00 0.00 C ATOM 0 H LEU A 87 -1.178 3.338 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.976 3.381 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.743 3.099 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.516 1.867 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.236 2.704 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.995 3.716 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.132 2.367 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.164 4.046 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.948 5.092 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.242 5.505 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.533 4.757 1.884 1.00 0.00 H new ATOM 799 N GLN A 88 -4.149 5.812 -1.674 1.00 0.00 N ATOM 800 CA GLN A 88 -4.203 7.260 -1.553 1.00 0.00 C ATOM 801 C GLN A 88 -5.447 7.692 -0.796 1.00 0.00 C ATOM 802 O GLN A 88 -6.562 7.649 -1.324 1.00 0.00 O ATOM 803 CB GLN A 88 -4.165 7.924 -2.931 1.00 0.00 C ATOM 804 CG GLN A 88 -3.052 7.404 -3.825 1.00 0.00 C ATOM 805 CD GLN A 88 -2.993 8.121 -5.160 1.00 0.00 C ATOM 806 OE1 GLN A 88 -3.423 9.267 -5.281 1.00 0.00 O ATOM 807 NE2 GLN A 88 -2.456 7.446 -6.169 1.00 0.00 N ATOM 0 H GLN A 88 -4.933 5.399 -2.178 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.326 7.581 -0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.122 7.767 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.045 9.000 -2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.097 7.518 -3.313 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.197 6.337 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.112 6.497 -6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.387 7.876 -7.091 1.00 0.00 H new