USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 517 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 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.11 X(o=0.11,f=-0.28) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 8:sc= 0.78 USER MOD Single : A 85 THR OG1 : rot 149:sc= 0.746 USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.399) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 38 -8.272 6.370 -4.575 1.00 0.00 N ATOM 102 CA LEU A 38 -6.889 6.745 -4.222 1.00 0.00 C ATOM 103 C LEU A 38 -6.560 6.423 -2.755 1.00 0.00 C ATOM 104 O LEU A 38 -5.546 6.893 -2.240 1.00 0.00 O ATOM 105 CB LEU A 38 -6.625 8.219 -4.609 1.00 0.00 C ATOM 106 CG LEU A 38 -6.503 8.472 -6.122 1.00 0.00 C ATOM 107 CD1 LEU A 38 -6.339 9.969 -6.364 1.00 0.00 C ATOM 108 CD2 LEU A 38 -5.282 7.768 -6.736 1.00 0.00 C ATOM 0 HA LEU A 38 -6.199 6.133 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.434 8.835 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.707 8.550 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.406 8.078 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.252 10.157 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.208 10.498 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.440 10.323 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.241 7.978 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.373 8.134 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.366 6.692 -6.580 1.00 0.00 H new ATOM 120 N ILE A 39 -7.384 5.595 -2.092 1.00 0.00 N ATOM 121 CA ILE A 39 -7.190 5.125 -0.707 1.00 0.00 C ATOM 122 C ILE A 39 -5.734 4.692 -0.491 1.00 0.00 C ATOM 123 O ILE A 39 -5.029 5.264 0.328 1.00 0.00 O ATOM 124 CB ILE A 39 -8.215 4.010 -0.384 1.00 0.00 C ATOM 125 CG1 ILE A 39 -9.609 4.674 -0.321 1.00 0.00 C ATOM 126 CG2 ILE A 39 -7.925 3.269 0.936 1.00 0.00 C ATOM 127 CD1 ILE A 39 -10.758 3.691 -0.113 1.00 0.00 C ATOM 0 H ILE A 39 -8.232 5.221 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.375 5.939 -0.006 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.156 3.252 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.617 5.402 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.779 5.225 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.683 2.503 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.942 2.801 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.945 3.978 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.701 4.236 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.780 2.977 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.614 3.157 0.826 1.00 0.00 H new ATOM 139 N VAL A 40 -5.256 3.773 -1.328 1.00 0.00 N ATOM 140 CA VAL A 40 -3.918 3.142 -1.293 1.00 0.00 C ATOM 141 C VAL A 40 -2.725 4.067 -1.516 1.00 0.00 C ATOM 142 O VAL A 40 -1.593 3.629 -1.343 1.00 0.00 O ATOM 143 CB VAL A 40 -3.860 2.007 -2.338 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.852 0.891 -2.002 1.00 0.00 C ATOM 145 CG2 VAL A 40 -4.163 2.506 -3.769 1.00 0.00 C ATOM 0 H VAL A 40 -5.820 3.420 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.815 2.782 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.839 1.626 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.787 0.107 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.613 0.474 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.864 1.296 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.109 1.669 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.163 2.939 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.431 3.262 -4.053 1.00 0.00 H new ATOM 155 N MET A 41 -2.961 5.322 -1.896 1.00 0.00 N ATOM 156 CA MET A 41 -1.952 6.374 -1.934 1.00 0.00 C ATOM 157 C MET A 41 -2.149 7.314 -0.737 1.00 0.00 C ATOM 158 O MET A 41 -1.219 7.558 0.030 1.00 0.00 O ATOM 159 CB MET A 41 -2.070 7.088 -3.298 1.00 0.00 C ATOM 160 CG MET A 41 -1.124 8.276 -3.507 1.00 0.00 C ATOM 161 SD MET A 41 -1.678 9.837 -2.766 1.00 0.00 S ATOM 162 CE MET A 41 -0.488 10.976 -3.531 1.00 0.00 C ATOM 0 H MET A 41 -3.883 5.641 -2.193 1.00 0.00 H new ATOM 0 HA MET A 41 -0.941 5.976 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.888 6.358 -4.087 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.095 7.438 -3.418 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.148 8.021 -3.094 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.987 8.428 -4.578 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.682 11.991 -3.185 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.525 10.685 -3.252 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.592 10.936 -4.615 1.00 0.00 H new ATOM 172 N ARG A 42 -3.384 7.774 -0.507 1.00 0.00 N ATOM 173 CA ARG A 42 -3.671 8.875 0.423 1.00 0.00 C ATOM 174 C ARG A 42 -3.914 8.472 1.883 1.00 0.00 C ATOM 175 O ARG A 42 -3.814 9.335 2.749 1.00 0.00 O ATOM 176 CB ARG A 42 -4.783 9.737 -0.198 1.00 0.00 C ATOM 177 CG ARG A 42 -4.592 11.246 0.049 1.00 0.00 C ATOM 178 CD ARG A 42 -5.491 12.086 -0.880 1.00 0.00 C ATOM 179 NE ARG A 42 -6.905 11.685 -0.761 1.00 0.00 N ATOM 180 CZ ARG A 42 -7.732 12.065 0.192 1.00 0.00 C ATOM 181 NH1 ARG A 42 -7.550 13.173 0.859 1.00 0.00 N ATOM 182 NH2 ARG A 42 -8.786 11.348 0.452 1.00 0.00 N ATOM 0 H ARG A 42 -4.215 7.394 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.765 9.471 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.819 9.553 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.745 9.427 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.823 11.478 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.548 11.514 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.388 13.142 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.163 11.967 -1.913 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.275 11.060 -1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.751 13.770 0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.207 13.441 1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.968 10.497 -0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.430 11.637 1.188 1.00 0.00 H new ATOM 196 N VAL A 43 -4.159 7.187 2.197 1.00 0.00 N ATOM 197 CA VAL A 43 -4.151 6.693 3.597 1.00 0.00 C ATOM 198 C VAL A 43 -2.721 6.674 4.146 1.00 0.00 C ATOM 199 O VAL A 43 -2.396 7.352 5.122 1.00 0.00 O ATOM 200 CB VAL A 43 -4.858 5.317 3.817 1.00 0.00 C ATOM 201 CG1 VAL A 43 -6.340 5.447 3.451 1.00 0.00 C ATOM 202 CG2 VAL A 43 -4.257 4.055 3.144 1.00 0.00 C ATOM 0 H VAL A 43 -4.366 6.467 1.504 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.755 7.404 4.160 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.692 5.119 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.838 4.489 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.806 6.202 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.432 5.742 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.864 3.185 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.246 4.190 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.239 3.902 3.501 1.00 0.00 H new ATOM 212 N ILE A 44 -1.821 5.963 3.461 1.00 0.00 N ATOM 213 CA ILE A 44 -0.437 5.754 3.917 1.00 0.00 C ATOM 214 C ILE A 44 0.511 6.925 3.772 1.00 0.00 C ATOM 215 O ILE A 44 1.464 7.017 4.550 1.00 0.00 O ATOM 216 CB ILE A 44 0.114 4.451 3.363 1.00 0.00 C ATOM 217 CG1 ILE A 44 -0.056 4.387 1.831 1.00 0.00 C ATOM 218 CG2 ILE A 44 -0.630 3.358 4.147 1.00 0.00 C ATOM 219 CD1 ILE A 44 0.385 3.045 1.279 1.00 0.00 C ATOM 0 H ILE A 44 -2.029 5.513 2.570 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.506 5.672 5.002 1.00 0.00 H new ATOM 0 HB ILE A 44 1.189 4.333 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.100 4.563 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.526 5.182 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.294 2.377 3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.422 3.468 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.702 3.453 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.252 3.035 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.436 2.882 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.215 2.253 1.726 1.00 0.00 H new ATOM 231 N TRP A 45 0.236 7.836 2.836 1.00 0.00 N ATOM 232 CA TRP A 45 0.915 9.127 2.814 1.00 0.00 C ATOM 233 C TRP A 45 0.938 9.763 4.211 1.00 0.00 C ATOM 234 O TRP A 45 1.958 10.330 4.593 1.00 0.00 O ATOM 235 CB TRP A 45 0.219 10.080 1.816 1.00 0.00 C ATOM 236 CG TRP A 45 0.335 11.537 2.166 1.00 0.00 C ATOM 237 CD1 TRP A 45 1.495 12.223 2.276 1.00 0.00 C ATOM 238 CD2 TRP A 45 -0.708 12.452 2.649 1.00 0.00 C ATOM 239 NE1 TRP A 45 1.251 13.466 2.821 1.00 0.00 N ATOM 240 CE2 TRP A 45 -0.089 13.663 3.076 1.00 0.00 C ATOM 241 CE3 TRP A 45 -2.108 12.362 2.817 1.00 0.00 C ATOM 242 CZ2 TRP A 45 -0.810 14.727 3.641 1.00 0.00 C ATOM 243 CZ3 TRP A 45 -2.849 13.423 3.376 1.00 0.00 C ATOM 244 CH2 TRP A 45 -2.202 14.605 3.791 1.00 0.00 C ATOM 0 H TRP A 45 -0.447 7.703 2.090 1.00 0.00 H new ATOM 0 HA TRP A 45 1.944 8.960 2.495 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.644 9.922 0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.837 9.816 1.756 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.466 11.853 1.981 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.976 14.157 3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.621 11.462 2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.302 15.627 3.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.919 13.330 3.487 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -2.774 15.413 4.222 1.00 0.00 H new ATOM 255 N SER A 46 -0.168 9.674 4.961 1.00 0.00 N ATOM 256 CA SER A 46 -0.274 10.461 6.205 1.00 0.00 C ATOM 257 C SER A 46 0.439 9.805 7.383 1.00 0.00 C ATOM 258 O SER A 46 0.858 10.449 8.345 1.00 0.00 O ATOM 259 CB SER A 46 -1.738 10.768 6.495 1.00 0.00 C ATOM 260 OG SER A 46 -1.840 11.829 7.437 1.00 0.00 O ATOM 0 H SER A 46 -0.976 9.090 4.744 1.00 0.00 H new ATOM 0 HA SER A 46 0.249 11.406 6.056 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.250 11.041 5.572 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.234 9.878 6.883 1.00 0.00 H new ATOM 0 HG SER A 46 -2.785 12.019 7.615 1.00 0.00 H new ATOM 266 N LEU A 47 0.561 8.483 7.307 1.00 0.00 N ATOM 267 CA LEU A 47 1.190 7.594 8.274 1.00 0.00 C ATOM 268 C LEU A 47 2.725 7.721 8.328 1.00 0.00 C ATOM 269 O LEU A 47 3.324 7.705 9.407 1.00 0.00 O ATOM 270 CB LEU A 47 0.800 6.197 7.800 1.00 0.00 C ATOM 271 CG LEU A 47 0.737 5.254 8.991 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.647 5.357 9.631 1.00 0.00 C ATOM 273 CD2 LEU A 47 1.015 3.888 8.413 1.00 0.00 C ATOM 0 H LEU A 47 0.194 7.968 6.506 1.00 0.00 H new ATOM 0 HA LEU A 47 0.858 7.833 9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.167 6.229 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.526 5.833 7.073 1.00 0.00 H new ATOM 0 HG LEU A 47 1.454 5.483 9.779 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.703 4.684 10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.819 6.381 9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.407 5.079 8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.988 3.144 9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.258 3.648 7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.000 3.884 7.946 1.00 0.00 H new ATOM 285 N GLY A 48 3.310 7.801 7.133 1.00 0.00 N ATOM 286 CA GLY A 48 4.727 8.016 6.853 1.00 0.00 C ATOM 287 C GLY A 48 5.386 6.728 6.368 1.00 0.00 C ATOM 288 O GLY A 48 5.877 6.679 5.241 1.00 0.00 O ATOM 0 H GLY A 48 2.766 7.711 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.839 8.794 6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.230 8.371 7.753 1.00 0.00 H new ATOM 292 N GLU A 49 5.321 5.681 7.191 1.00 0.00 N ATOM 293 CA GLU A 49 5.917 4.371 6.922 1.00 0.00 C ATOM 294 C GLU A 49 4.913 3.273 7.285 1.00 0.00 C ATOM 295 O GLU A 49 4.561 3.083 8.449 1.00 0.00 O ATOM 296 CB GLU A 49 7.211 4.211 7.747 1.00 0.00 C ATOM 297 CG GLU A 49 8.386 5.019 7.171 1.00 0.00 C ATOM 298 CD GLU A 49 9.360 5.675 8.168 1.00 0.00 C ATOM 299 OE1 GLU A 49 9.497 5.241 9.339 1.00 0.00 O ATOM 300 OE2 GLU A 49 10.046 6.616 7.701 1.00 0.00 O ATOM 0 H GLU A 49 4.839 5.722 8.089 1.00 0.00 H new ATOM 0 HA GLU A 49 6.165 4.289 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.025 4.529 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.485 3.157 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.963 4.358 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.974 5.805 6.538 1.00 0.00 H new ATOM 307 N ALA A 50 4.506 2.491 6.287 1.00 0.00 N ATOM 308 CA ALA A 50 3.545 1.404 6.436 1.00 0.00 C ATOM 309 C ALA A 50 4.187 0.067 6.047 1.00 0.00 C ATOM 310 O ALA A 50 5.016 -0.009 5.140 1.00 0.00 O ATOM 311 CB ALA A 50 2.333 1.721 5.562 1.00 0.00 C ATOM 0 H ALA A 50 4.844 2.599 5.331 1.00 0.00 H new ATOM 0 HA ALA A 50 3.227 1.314 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.598 0.922 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.888 2.663 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.647 1.805 4.522 1.00 0.00 H new ATOM 317 N ARG A 51 3.830 -1.022 6.737 1.00 0.00 N ATOM 318 CA ARG A 51 4.248 -2.393 6.386 1.00 0.00 C ATOM 319 C ARG A 51 3.232 -2.982 5.391 1.00 0.00 C ATOM 320 O ARG A 51 2.152 -2.433 5.219 1.00 0.00 O ATOM 321 CB ARG A 51 4.349 -3.257 7.656 1.00 0.00 C ATOM 322 CG ARG A 51 5.534 -2.920 8.588 1.00 0.00 C ATOM 323 CD ARG A 51 5.468 -1.547 9.283 1.00 0.00 C ATOM 324 NE ARG A 51 6.322 -1.472 10.486 1.00 0.00 N ATOM 325 CZ ARG A 51 6.001 -1.881 11.703 1.00 0.00 C ATOM 326 NH1 ARG A 51 4.810 -2.319 11.976 1.00 0.00 N ATOM 327 NH2 ARG A 51 6.819 -1.747 12.706 1.00 0.00 N ATOM 0 H ARG A 51 3.236 -0.981 7.565 1.00 0.00 H new ATOM 0 HA ARG A 51 5.233 -2.376 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.423 -3.154 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.427 -4.303 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.600 -3.692 9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.455 -2.968 8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.772 -0.773 8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.436 -1.336 9.562 1.00 0.00 H new ATOM 0 HE ARG A 51 7.250 -1.065 10.367 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.099 -2.353 11.245 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.585 -2.629 12.921 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.733 -1.318 12.565 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.546 -2.071 13.634 1.00 0.00 H new ATOM 341 N VAL A 52 3.527 -4.106 4.739 1.00 0.00 N ATOM 342 CA VAL A 52 2.638 -4.683 3.702 1.00 0.00 C ATOM 343 C VAL A 52 1.273 -5.152 4.190 1.00 0.00 C ATOM 344 O VAL A 52 0.267 -5.064 3.491 1.00 0.00 O ATOM 345 CB VAL A 52 3.342 -5.750 2.836 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.755 -6.063 3.340 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.559 -7.055 2.647 1.00 0.00 C ATOM 0 H VAL A 52 4.377 -4.646 4.904 1.00 0.00 H new ATOM 0 HA VAL A 52 2.415 -3.830 3.061 1.00 0.00 H new ATOM 0 HB VAL A 52 3.399 -5.283 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.211 -6.819 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.359 -5.156 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.702 -6.438 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.136 -7.739 2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.377 -7.514 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.606 -6.841 2.163 1.00 0.00 H new ATOM 357 N ASP A 53 1.236 -5.742 5.373 1.00 0.00 N ATOM 358 CA ASP A 53 -0.023 -6.066 6.033 1.00 0.00 C ATOM 359 C ASP A 53 -0.792 -4.824 6.534 1.00 0.00 C ATOM 360 O ASP A 53 -1.987 -4.927 6.781 1.00 0.00 O ATOM 361 CB ASP A 53 0.218 -7.146 7.095 1.00 0.00 C ATOM 362 CG ASP A 53 0.238 -6.599 8.524 1.00 0.00 C ATOM 363 OD1 ASP A 53 1.308 -6.041 8.894 1.00 0.00 O ATOM 364 OD2 ASP A 53 -0.754 -6.805 9.247 1.00 0.00 O ATOM 0 H ASP A 53 2.067 -6.009 5.901 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.706 -6.487 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.561 -7.904 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.167 -7.641 6.890 1.00 0.00 H new ATOM 369 N GLU A 54 -0.096 -3.693 6.680 1.00 0.00 N ATOM 370 CA GLU A 54 -0.650 -2.385 7.076 1.00 0.00 C ATOM 371 C GLU A 54 -1.396 -1.724 5.911 1.00 0.00 C ATOM 372 O GLU A 54 -2.565 -1.371 6.010 1.00 0.00 O ATOM 373 CB GLU A 54 0.497 -1.498 7.588 1.00 0.00 C ATOM 374 CG GLU A 54 0.152 -0.601 8.780 1.00 0.00 C ATOM 375 CD GLU A 54 -0.831 0.544 8.489 1.00 0.00 C ATOM 376 OE1 GLU A 54 -0.948 0.957 7.312 1.00 0.00 O ATOM 377 OE2 GLU A 54 -1.441 1.030 9.470 1.00 0.00 O ATOM 0 H GLU A 54 0.911 -3.657 6.520 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.379 -2.524 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.333 -2.140 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.840 -0.867 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.267 -1.223 9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.076 -0.172 9.168 1.00 0.00 H new ATOM 384 N ILE A 55 -0.744 -1.616 4.745 1.00 0.00 N ATOM 385 CA ILE A 55 -1.333 -1.009 3.535 1.00 0.00 C ATOM 386 C ILE A 55 -2.625 -1.700 3.088 1.00 0.00 C ATOM 387 O ILE A 55 -3.590 -1.049 2.693 1.00 0.00 O ATOM 388 CB ILE A 55 -0.305 -0.943 2.386 1.00 0.00 C ATOM 389 CG1 ILE A 55 0.236 -2.336 2.044 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.849 -0.020 2.773 1.00 0.00 C ATOM 391 CD1 ILE A 55 1.548 -2.416 1.271 1.00 0.00 C ATOM 0 H ILE A 55 0.211 -1.948 4.610 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.609 0.010 3.805 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.808 -0.548 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.362 -2.885 2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.526 -2.859 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.571 0.022 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.464 0.981 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.336 -0.403 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.807 -3.461 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.437 -1.909 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.339 -1.935 1.846 1.00 0.00 H new ATOM 403 N TYR A 56 -2.663 -3.027 3.177 1.00 0.00 N ATOM 404 CA TYR A 56 -3.874 -3.809 3.035 1.00 0.00 C ATOM 405 C TYR A 56 -4.884 -3.595 4.159 1.00 0.00 C ATOM 406 O TYR A 56 -6.074 -3.537 3.888 1.00 0.00 O ATOM 407 CB TYR A 56 -3.429 -5.258 3.044 1.00 0.00 C ATOM 408 CG TYR A 56 -4.573 -6.233 2.961 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.566 -6.085 1.979 1.00 0.00 C ATOM 410 CD2 TYR A 56 -4.638 -7.275 3.891 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.663 -6.963 1.951 1.00 0.00 C ATOM 412 CE2 TYR A 56 -5.751 -8.146 3.886 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.759 -7.997 2.905 1.00 0.00 C ATOM 414 OH TYR A 56 -7.800 -8.865 2.829 1.00 0.00 O ATOM 0 H TYR A 56 -1.833 -3.594 3.353 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.384 -3.509 2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.754 -5.429 2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.862 -5.451 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.487 -5.296 1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.843 -7.413 4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.431 -6.846 1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.832 -8.924 4.630 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.731 -9.523 3.552 1.00 0.00 H new ATOM 424 N ALA A 57 -4.432 -3.415 5.397 1.00 0.00 N ATOM 425 CA ALA A 57 -5.317 -3.126 6.536 1.00 0.00 C ATOM 426 C ALA A 57 -6.259 -1.920 6.324 1.00 0.00 C ATOM 427 O ALA A 57 -7.303 -1.839 6.968 1.00 0.00 O ATOM 428 CB ALA A 57 -4.498 -2.934 7.817 1.00 0.00 C ATOM 0 H ALA A 57 -3.444 -3.464 5.645 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.964 -3.998 6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.169 -2.721 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.935 -3.843 8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.807 -2.101 7.686 1.00 0.00 H new ATOM 434 N GLN A 58 -5.933 -1.001 5.398 1.00 0.00 N ATOM 435 CA GLN A 58 -6.781 0.164 5.128 1.00 0.00 C ATOM 436 C GLN A 58 -7.948 -0.137 4.158 1.00 0.00 C ATOM 437 O GLN A 58 -8.694 0.758 3.767 1.00 0.00 O ATOM 438 CB GLN A 58 -5.885 1.291 4.613 1.00 0.00 C ATOM 439 CG GLN A 58 -4.592 1.496 5.414 1.00 0.00 C ATOM 440 CD GLN A 58 -4.824 1.672 6.892 1.00 0.00 C ATOM 441 OE1 GLN A 58 -5.828 2.202 7.352 1.00 0.00 O ATOM 442 NE2 GLN A 58 -3.881 1.231 7.675 1.00 0.00 N ATOM 0 H GLN A 58 -5.089 -1.046 4.827 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.269 0.464 6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.625 1.085 3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.453 2.221 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.936 0.640 5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.070 2.372 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.051 0.792 7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.973 1.325 8.687 1.00 0.00 H new ATOM 451 N ILE A 59 -8.078 -1.395 3.741 1.00 0.00 N ATOM 452 CA ILE A 59 -9.050 -1.917 2.769 1.00 0.00 C ATOM 453 C ILE A 59 -10.164 -2.781 3.425 1.00 0.00 C ATOM 454 O ILE A 59 -9.951 -3.957 3.740 1.00 0.00 O ATOM 455 CB ILE A 59 -8.266 -2.682 1.689 1.00 0.00 C ATOM 456 CG1 ILE A 59 -7.174 -1.728 1.143 1.00 0.00 C ATOM 457 CG2 ILE A 59 -9.160 -3.217 0.563 1.00 0.00 C ATOM 458 CD1 ILE A 59 -6.408 -2.278 -0.038 1.00 0.00 C ATOM 0 H ILE A 59 -7.467 -2.131 4.095 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.591 -1.086 2.316 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.816 -3.569 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.641 -0.787 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.471 -1.501 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.548 -3.747 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.900 -3.900 0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.668 -2.385 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.663 -1.550 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.910 -3.203 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.098 -2.478 -0.858 1.00 0.00 H new ATOM 470 N PRO A 60 -11.363 -2.217 3.681 1.00 0.00 N ATOM 471 CA PRO A 60 -12.483 -2.920 4.323 1.00 0.00 C ATOM 472 C PRO A 60 -13.418 -3.699 3.366 1.00 0.00 C ATOM 473 O PRO A 60 -13.457 -3.466 2.155 1.00 0.00 O ATOM 474 CB PRO A 60 -13.271 -1.797 5.016 1.00 0.00 C ATOM 475 CG PRO A 60 -13.112 -0.623 4.050 1.00 0.00 C ATOM 476 CD PRO A 60 -11.672 -0.795 3.567 1.00 0.00 C ATOM 0 HA PRO A 60 -12.094 -3.694 4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.318 -2.065 5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.865 -1.567 6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.826 -0.673 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.263 0.336 4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.566 -0.456 2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.987 -0.200 4.170 1.00 0.00 H new ATOM 484 N GLN A 61 -14.271 -4.545 3.957 1.00 0.00 N ATOM 485 CA GLN A 61 -15.365 -5.282 3.296 1.00 0.00 C ATOM 486 C GLN A 61 -16.426 -4.428 2.560 1.00 0.00 C ATOM 487 O GLN A 61 -17.319 -4.988 1.934 1.00 0.00 O ATOM 488 CB GLN A 61 -16.049 -6.214 4.309 1.00 0.00 C ATOM 489 CG GLN A 61 -15.097 -7.235 4.965 1.00 0.00 C ATOM 490 CD GLN A 61 -15.542 -8.692 4.801 1.00 0.00 C ATOM 491 OE1 GLN A 61 -16.686 -9.079 4.996 1.00 0.00 O ATOM 492 NE2 GLN A 61 -14.618 -9.571 4.462 1.00 0.00 N ATOM 0 H GLN A 61 -14.218 -4.746 4.956 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.875 -5.843 2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.510 -5.609 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.852 -6.753 3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.102 -7.118 4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.013 -7.008 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.659 -9.265 4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.862 -10.557 4.366 1.00 0.00 H new ATOM 501 N GLU A 62 -16.376 -3.094 2.596 1.00 0.00 N ATOM 502 CA GLU A 62 -17.208 -2.273 1.697 1.00 0.00 C ATOM 503 C GLU A 62 -16.679 -2.292 0.243 1.00 0.00 C ATOM 504 O GLU A 62 -17.399 -1.955 -0.692 1.00 0.00 O ATOM 505 CB GLU A 62 -17.346 -0.851 2.278 1.00 0.00 C ATOM 506 CG GLU A 62 -18.345 0.014 1.492 1.00 0.00 C ATOM 507 CD GLU A 62 -19.060 1.041 2.381 1.00 0.00 C ATOM 508 OE1 GLU A 62 -18.485 2.134 2.627 1.00 0.00 O ATOM 509 OE2 GLU A 62 -20.189 0.755 2.841 1.00 0.00 O ATOM 0 H GLU A 62 -15.778 -2.560 3.227 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.207 -2.705 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.667 -0.917 3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.370 -0.365 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.819 0.535 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.086 -0.631 1.019 1.00 0.00 H new ATOM 516 N LEU A 63 -15.411 -2.674 0.047 1.00 0.00 N ATOM 517 CA LEU A 63 -14.735 -2.793 -1.255 1.00 0.00 C ATOM 518 C LEU A 63 -14.739 -4.213 -1.832 1.00 0.00 C ATOM 519 O LEU A 63 -14.779 -4.412 -3.041 1.00 0.00 O ATOM 520 CB LEU A 63 -13.283 -2.318 -1.080 1.00 0.00 C ATOM 521 CG LEU A 63 -13.167 -0.899 -0.497 1.00 0.00 C ATOM 522 CD1 LEU A 63 -11.694 -0.530 -0.354 1.00 0.00 C ATOM 523 CD2 LEU A 63 -13.872 0.092 -1.409 1.00 0.00 C ATOM 0 H LEU A 63 -14.799 -2.920 0.825 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.287 -2.179 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.758 -3.015 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.781 -2.347 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.640 -0.867 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.609 0.475 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.204 -1.239 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.214 -0.562 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.787 1.095 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.411 0.070 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.925 -0.177 -1.494 1.00 0.00 H new ATOM 535 N GLU A 64 -14.690 -5.195 -0.938 1.00 0.00 N ATOM 536 CA GLU A 64 -14.744 -6.653 -1.213 1.00 0.00 C ATOM 537 C GLU A 64 -13.582 -7.221 -2.072 1.00 0.00 C ATOM 538 O GLU A 64 -13.707 -8.281 -2.699 1.00 0.00 O ATOM 539 CB GLU A 64 -16.144 -7.063 -1.739 1.00 0.00 C ATOM 540 CG GLU A 64 -17.284 -6.614 -0.799 1.00 0.00 C ATOM 541 CD GLU A 64 -18.595 -7.384 -1.020 1.00 0.00 C ATOM 542 OE1 GLU A 64 -18.565 -8.633 -0.868 1.00 0.00 O ATOM 543 OE2 GLU A 64 -19.660 -6.801 -1.343 1.00 0.00 O ATOM 0 H GLU A 64 -14.607 -4.999 0.059 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.583 -7.133 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.299 -6.628 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.181 -8.146 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.965 -6.744 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.467 -5.549 -0.945 1.00 0.00 H new ATOM 550 N TRP A 65 -12.434 -6.532 -2.096 1.00 0.00 N ATOM 551 CA TRP A 65 -11.187 -6.981 -2.732 1.00 0.00 C ATOM 552 C TRP A 65 -10.452 -8.072 -1.926 1.00 0.00 C ATOM 553 O TRP A 65 -10.647 -8.219 -0.722 1.00 0.00 O ATOM 554 CB TRP A 65 -10.225 -5.790 -2.879 1.00 0.00 C ATOM 555 CG TRP A 65 -10.657 -4.600 -3.684 1.00 0.00 C ATOM 556 CD1 TRP A 65 -11.840 -4.420 -4.316 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.898 -3.376 -3.921 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.876 -3.168 -4.894 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.702 -2.478 -4.685 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.612 -2.929 -3.546 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -10.257 -1.201 -5.061 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -8.162 -1.643 -3.898 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.980 -0.782 -4.651 1.00 0.00 C ATOM 0 H TRP A 65 -12.344 -5.615 -1.658 1.00 0.00 H new ATOM 0 HA TRP A 65 -11.472 -7.400 -3.697 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.982 -5.438 -1.876 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.301 -6.166 -3.318 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -12.637 -5.148 -4.361 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -12.673 -2.799 -5.412 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.965 -3.583 -2.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.884 -0.553 -5.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.181 -1.315 -3.588 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.626 0.204 -4.915 1.00 0.00 H new ATOM 574 N SER A 66 -9.529 -8.790 -2.587 1.00 0.00 N ATOM 575 CA SER A 66 -8.553 -9.705 -1.946 1.00 0.00 C ATOM 576 C SER A 66 -7.203 -9.009 -1.683 1.00 0.00 C ATOM 577 O SER A 66 -6.821 -8.107 -2.434 1.00 0.00 O ATOM 578 CB SER A 66 -8.335 -10.925 -2.866 1.00 0.00 C ATOM 579 OG SER A 66 -7.256 -11.759 -2.435 1.00 0.00 O ATOM 0 H SER A 66 -9.433 -8.754 -3.602 1.00 0.00 H new ATOM 0 HA SER A 66 -8.956 -10.017 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.251 -11.514 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.137 -10.579 -3.880 1.00 0.00 H new ATOM 0 HG SER A 66 -7.162 -12.516 -3.050 1.00 0.00 H new ATOM 585 N LEU A 67 -6.434 -9.500 -0.696 1.00 0.00 N ATOM 586 CA LEU A 67 -5.076 -9.101 -0.369 1.00 0.00 C ATOM 587 C LEU A 67 -4.161 -8.974 -1.595 1.00 0.00 C ATOM 588 O LEU A 67 -3.424 -8.002 -1.721 1.00 0.00 O ATOM 589 CB LEU A 67 -4.544 -10.142 0.630 1.00 0.00 C ATOM 590 CG LEU A 67 -3.545 -9.619 1.667 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.573 -10.714 2.006 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.741 -8.386 1.271 1.00 0.00 C ATOM 0 H LEU A 67 -6.776 -10.231 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.084 -8.100 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.392 -10.578 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.069 -10.947 0.069 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.164 -9.310 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.858 -10.350 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.114 -11.567 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.041 -11.020 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.070 -8.112 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.157 -8.604 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.421 -7.559 1.067 1.00 0.00 H new ATOM 604 N ALA A 68 -4.204 -9.947 -2.506 1.00 0.00 N ATOM 605 CA ALA A 68 -3.406 -9.919 -3.728 1.00 0.00 C ATOM 606 C ALA A 68 -3.612 -8.614 -4.521 1.00 0.00 C ATOM 607 O ALA A 68 -2.652 -8.056 -5.053 1.00 0.00 O ATOM 608 CB ALA A 68 -3.748 -11.159 -4.560 1.00 0.00 C ATOM 0 H ALA A 68 -4.793 -10.775 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.347 -9.940 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.160 -11.155 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.518 -12.057 -3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.809 -11.149 -4.809 1.00 0.00 H new ATOM 614 N THR A 69 -4.843 -8.102 -4.561 1.00 0.00 N ATOM 615 CA THR A 69 -5.215 -6.924 -5.350 1.00 0.00 C ATOM 616 C THR A 69 -4.550 -5.638 -4.877 1.00 0.00 C ATOM 617 O THR A 69 -4.045 -4.896 -5.715 1.00 0.00 O ATOM 618 CB THR A 69 -6.732 -6.718 -5.394 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.349 -7.888 -5.871 1.00 0.00 O ATOM 620 CG2 THR A 69 -7.061 -5.590 -6.365 1.00 0.00 C ATOM 0 H THR A 69 -5.623 -8.500 -4.038 1.00 0.00 H new ATOM 0 HA THR A 69 -4.848 -7.138 -6.354 1.00 0.00 H new ATOM 0 HB THR A 69 -7.087 -6.478 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.320 -7.758 -5.898 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.140 -5.442 -6.398 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.578 -4.671 -6.032 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.700 -5.850 -7.360 1.00 0.00 H new ATOM 628 N VAL A 70 -4.479 -5.346 -3.569 1.00 0.00 N ATOM 629 CA VAL A 70 -3.720 -4.183 -3.118 1.00 0.00 C ATOM 630 C VAL A 70 -2.260 -4.301 -3.492 1.00 0.00 C ATOM 631 O VAL A 70 -1.699 -3.359 -4.031 1.00 0.00 O ATOM 632 CB VAL A 70 -3.865 -3.904 -1.620 1.00 0.00 C ATOM 633 CG1 VAL A 70 -3.079 -4.769 -0.643 1.00 0.00 C ATOM 634 CG2 VAL A 70 -3.349 -2.496 -1.372 1.00 0.00 C ATOM 0 H VAL A 70 -4.926 -5.886 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.153 -3.329 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.920 -4.100 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.288 -4.448 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.373 -5.812 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.012 -4.667 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.436 -2.258 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.303 -2.433 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.937 -1.785 -1.952 1.00 0.00 H new ATOM 644 N LYS A 71 -1.653 -5.451 -3.213 1.00 0.00 N ATOM 645 CA LYS A 71 -0.217 -5.665 -3.401 1.00 0.00 C ATOM 646 C LYS A 71 0.195 -5.376 -4.835 1.00 0.00 C ATOM 647 O LYS A 71 1.186 -4.686 -5.065 1.00 0.00 O ATOM 648 CB LYS A 71 0.162 -7.083 -2.978 1.00 0.00 C ATOM 649 CG LYS A 71 -0.011 -7.279 -1.471 1.00 0.00 C ATOM 650 CD LYS A 71 0.641 -8.614 -1.120 1.00 0.00 C ATOM 651 CE LYS A 71 0.570 -9.005 0.366 1.00 0.00 C ATOM 652 NZ LYS A 71 1.643 -9.991 0.689 1.00 0.00 N ATOM 0 H LYS A 71 -2.144 -6.267 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 71 0.328 -4.966 -2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.457 -7.802 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.197 -7.283 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.457 -6.464 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.067 -7.282 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.166 -9.399 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.688 -8.579 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.681 -8.118 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.407 -9.432 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.586 -10.249 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.518 -10.843 0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.573 -9.569 0.491 1.00 0.00 H new ATOM 666 N THR A 72 -0.618 -5.830 -5.790 1.00 0.00 N ATOM 667 CA THR A 72 -0.431 -5.447 -7.204 1.00 0.00 C ATOM 668 C THR A 72 -0.731 -3.973 -7.503 1.00 0.00 C ATOM 669 O THR A 72 0.116 -3.300 -8.072 1.00 0.00 O ATOM 670 CB THR A 72 -1.141 -6.394 -8.192 1.00 0.00 C ATOM 671 OG1 THR A 72 -0.848 -6.038 -9.528 1.00 0.00 O ATOM 672 CG2 THR A 72 -2.655 -6.411 -8.084 1.00 0.00 C ATOM 0 H THR A 72 -1.405 -6.456 -5.621 1.00 0.00 H new ATOM 0 HA THR A 72 0.640 -5.567 -7.370 1.00 0.00 H new ATOM 0 HB THR A 72 -0.761 -7.380 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.307 -6.652 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.064 -7.105 -8.818 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.945 -6.729 -7.082 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.045 -5.411 -8.274 1.00 0.00 H new ATOM 680 N LEU A 73 -1.861 -3.411 -7.074 1.00 0.00 N ATOM 681 CA LEU A 73 -2.307 -2.072 -7.454 1.00 0.00 C ATOM 682 C LEU A 73 -1.365 -1.009 -6.857 1.00 0.00 C ATOM 683 O LEU A 73 -0.791 -0.167 -7.554 1.00 0.00 O ATOM 684 CB LEU A 73 -3.759 -2.028 -6.938 1.00 0.00 C ATOM 685 CG LEU A 73 -4.662 -0.852 -7.326 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.916 -0.946 -6.447 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.982 0.479 -7.075 1.00 0.00 C ATOM 0 H LEU A 73 -2.505 -3.884 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.279 -1.857 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.252 -2.942 -7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.720 -2.065 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.898 -0.905 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.592 -0.126 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.418 -1.896 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.630 -0.883 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.652 1.290 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.736 0.568 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.068 0.538 -7.666 1.00 0.00 H new ATOM 699 N LEU A 74 -1.137 -1.089 -5.547 1.00 0.00 N ATOM 700 CA LEU A 74 -0.216 -0.275 -4.797 1.00 0.00 C ATOM 701 C LEU A 74 1.197 -0.441 -5.353 1.00 0.00 C ATOM 702 O LEU A 74 1.873 0.536 -5.666 1.00 0.00 O ATOM 703 CB LEU A 74 -0.379 -0.708 -3.358 1.00 0.00 C ATOM 704 CG LEU A 74 0.432 0.125 -2.381 1.00 0.00 C ATOM 705 CD1 LEU A 74 -0.126 -0.232 -1.033 1.00 0.00 C ATOM 706 CD2 LEU A 74 1.884 -0.308 -2.334 1.00 0.00 C ATOM 0 H LEU A 74 -1.624 -1.766 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.414 0.794 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.433 -0.649 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.083 -1.753 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 74 0.381 1.177 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.403 0.326 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.186 0.019 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.001 -1.301 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.427 0.315 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.943 -1.351 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.328 -0.200 -3.323 1.00 0.00 H new ATOM 718 N GLY A 75 1.582 -1.700 -5.577 1.00 0.00 N ATOM 719 CA GLY A 75 2.803 -2.087 -6.300 1.00 0.00 C ATOM 720 C GLY A 75 2.959 -1.425 -7.677 1.00 0.00 C ATOM 721 O GLY A 75 4.070 -1.080 -8.076 1.00 0.00 O ATOM 0 H GLY A 75 1.041 -2.502 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.669 -1.834 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.808 -3.169 -6.428 1.00 0.00 H new ATOM 725 N ARG A 76 1.858 -1.103 -8.368 1.00 0.00 N ATOM 726 CA ARG A 76 1.870 -0.371 -9.652 1.00 0.00 C ATOM 727 C ARG A 76 2.017 1.129 -9.428 1.00 0.00 C ATOM 728 O ARG A 76 2.678 1.772 -10.232 1.00 0.00 O ATOM 729 CB ARG A 76 0.635 -0.655 -10.523 1.00 0.00 C ATOM 730 CG ARG A 76 0.452 -2.138 -10.921 1.00 0.00 C ATOM 731 CD ARG A 76 0.225 -2.396 -12.424 1.00 0.00 C ATOM 732 NE ARG A 76 -1.056 -1.843 -12.910 1.00 0.00 N ATOM 733 CZ ARG A 76 -1.453 -1.731 -14.163 1.00 0.00 C ATOM 734 NH1 ARG A 76 -0.822 -2.264 -15.173 1.00 0.00 N ATOM 735 NH2 ARG A 76 -2.487 -0.996 -14.441 1.00 0.00 N ATOM 0 H ARG A 76 0.919 -1.344 -8.051 1.00 0.00 H new ATOM 0 HA ARG A 76 2.738 -0.741 -10.198 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.255 -0.324 -9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.702 -0.055 -11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.335 -2.693 -10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.395 -2.543 -10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.045 -1.956 -12.992 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.247 -3.469 -12.612 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.706 -1.511 -12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.029 -2.803 -15.015 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.180 -2.141 -16.120 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.984 -0.512 -13.694 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.802 -0.903 -15.407 1.00 0.00 H new ATOM 749 N LEU A 77 1.508 1.679 -8.322 1.00 0.00 N ATOM 750 CA LEU A 77 1.850 3.060 -7.929 1.00 0.00 C ATOM 751 C LEU A 77 3.347 3.191 -7.678 1.00 0.00 C ATOM 752 O LEU A 77 3.962 4.192 -8.042 1.00 0.00 O ATOM 753 CB LEU A 77 1.211 3.492 -6.603 1.00 0.00 C ATOM 754 CG LEU A 77 -0.177 2.968 -6.297 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.530 3.354 -4.876 1.00 0.00 C ATOM 756 CD2 LEU A 77 -1.221 3.405 -7.281 1.00 0.00 C ATOM 0 H LEU A 77 0.867 1.203 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 77 1.489 3.674 -8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.873 3.185 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.171 4.581 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.161 1.883 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.527 2.985 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.194 2.915 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.511 4.439 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.187 2.990 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.281 4.493 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.954 3.050 -8.276 1.00 0.00 H new ATOM 768 N VAL A 78 3.903 2.198 -6.967 1.00 0.00 N ATOM 769 CA VAL A 78 5.335 2.206 -6.575 1.00 0.00 C ATOM 770 C VAL A 78 6.254 2.051 -7.807 1.00 0.00 C ATOM 771 O VAL A 78 7.260 2.741 -7.907 1.00 0.00 O ATOM 772 CB VAL A 78 5.760 1.271 -5.397 1.00 0.00 C ATOM 773 CG1 VAL A 78 4.693 0.804 -4.387 1.00 0.00 C ATOM 774 CG2 VAL A 78 6.496 -0.005 -5.825 1.00 0.00 C ATOM 0 H VAL A 78 3.389 1.376 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 78 5.472 3.197 -6.142 1.00 0.00 H new ATOM 0 HB VAL A 78 6.407 1.988 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.157 0.164 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.250 1.672 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.916 0.246 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.751 -0.591 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.853 -0.594 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.408 0.263 -6.359 1.00 0.00 H new ATOM 784 N LYS A 79 5.869 1.228 -8.794 1.00 0.00 N ATOM 785 CA LYS A 79 6.552 1.099 -10.101 1.00 0.00 C ATOM 786 C LYS A 79 6.379 2.260 -11.073 1.00 0.00 C ATOM 787 O LYS A 79 7.139 2.348 -12.039 1.00 0.00 O ATOM 788 CB LYS A 79 6.182 -0.247 -10.749 1.00 0.00 C ATOM 789 CG LYS A 79 6.864 -1.445 -10.069 1.00 0.00 C ATOM 790 CD LYS A 79 8.379 -1.277 -9.877 1.00 0.00 C ATOM 791 CE LYS A 79 9.027 -0.896 -11.214 1.00 0.00 C ATOM 792 NZ LYS A 79 10.474 -1.200 -11.309 1.00 0.00 N ATOM 0 H LYS A 79 5.056 0.618 -8.709 1.00 0.00 H new ATOM 0 HA LYS A 79 7.617 1.133 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.101 -0.379 -10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.461 -0.226 -11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.401 -1.609 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.681 -2.340 -10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.578 -0.507 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.813 -2.204 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.506 -1.418 -12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.882 0.171 -11.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.829 -0.911 -12.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.987 -0.681 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.623 -2.222 -11.183 1.00 0.00 H new ATOM 806 N LYS A 80 5.408 3.128 -10.811 1.00 0.00 N ATOM 807 CA LYS A 80 5.231 4.412 -11.490 1.00 0.00 C ATOM 808 C LYS A 80 6.000 5.513 -10.738 1.00 0.00 C ATOM 809 O LYS A 80 7.227 5.521 -10.745 1.00 0.00 O ATOM 810 CB LYS A 80 3.741 4.740 -11.751 1.00 0.00 C ATOM 811 CG LYS A 80 3.106 3.957 -12.917 1.00 0.00 C ATOM 812 CD LYS A 80 1.833 4.673 -13.411 1.00 0.00 C ATOM 813 CE LYS A 80 1.058 3.847 -14.450 1.00 0.00 C ATOM 814 NZ LYS A 80 -0.083 4.614 -15.017 1.00 0.00 N ATOM 0 H LYS A 80 4.699 2.955 -10.099 1.00 0.00 H new ATOM 0 HA LYS A 80 5.666 4.349 -12.487 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.173 4.537 -10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.648 5.807 -11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.821 3.866 -13.735 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.860 2.945 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.184 4.882 -12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.107 5.634 -13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.731 3.548 -15.253 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.688 2.932 -13.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.584 4.027 -15.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.737 4.878 -14.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.273 5.474 -15.481 1.00 0.00 H new ATOM 828 N GLU A 81 5.279 6.418 -10.084 1.00 0.00 N ATOM 829 CA GLU A 81 5.838 7.682 -9.579 1.00 0.00 C ATOM 830 C GLU A 81 5.154 8.263 -8.317 1.00 0.00 C ATOM 831 O GLU A 81 5.403 9.423 -7.993 1.00 0.00 O ATOM 832 CB GLU A 81 5.843 8.703 -10.753 1.00 0.00 C ATOM 833 CG GLU A 81 4.469 8.991 -11.408 1.00 0.00 C ATOM 834 CD GLU A 81 4.409 8.708 -12.928 1.00 0.00 C ATOM 835 OE1 GLU A 81 4.829 7.612 -13.355 1.00 0.00 O ATOM 836 OE2 GLU A 81 3.851 9.572 -13.664 1.00 0.00 O ATOM 0 H GLU A 81 4.285 6.301 -9.885 1.00 0.00 H new ATOM 0 HA GLU A 81 6.848 7.469 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.254 9.644 -10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.521 8.337 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.710 8.389 -10.909 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.211 10.036 -11.236 1.00 0.00 H new ATOM 843 N MET A 82 4.317 7.517 -7.566 1.00 0.00 N ATOM 844 CA MET A 82 3.574 8.081 -6.421 1.00 0.00 C ATOM 845 C MET A 82 4.133 7.702 -5.037 1.00 0.00 C ATOM 846 O MET A 82 4.017 8.484 -4.094 1.00 0.00 O ATOM 847 CB MET A 82 2.100 7.642 -6.493 1.00 0.00 C ATOM 848 CG MET A 82 1.464 7.835 -7.873 1.00 0.00 C ATOM 849 SD MET A 82 -0.291 7.392 -7.914 1.00 0.00 S ATOM 850 CE MET A 82 -0.727 8.007 -9.564 1.00 0.00 C ATOM 0 H MET A 82 4.140 6.526 -7.732 1.00 0.00 H new ATOM 0 HA MET A 82 3.682 9.162 -6.512 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.030 6.590 -6.215 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.526 8.205 -5.757 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.577 8.876 -8.176 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.002 7.230 -8.603 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.782 7.815 -9.757 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.538 9.079 -9.614 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.123 7.497 -10.314 1.00 0.00 H new ATOM 860 N LEU A 83 4.632 6.453 -4.942 1.00 0.00 N ATOM 861 CA LEU A 83 5.083 5.748 -3.738 1.00 0.00 C ATOM 862 C LEU A 83 6.485 5.189 -3.957 1.00 0.00 C ATOM 863 O LEU A 83 6.930 5.095 -5.093 1.00 0.00 O ATOM 864 CB LEU A 83 4.192 4.533 -3.342 1.00 0.00 C ATOM 865 CG LEU A 83 2.691 4.813 -3.087 1.00 0.00 C ATOM 866 CD1 LEU A 83 2.128 3.659 -2.277 1.00 0.00 C ATOM 867 CD2 LEU A 83 2.412 6.108 -2.353 1.00 0.00 C ATOM 0 H LEU A 83 4.736 5.871 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 83 5.039 6.493 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.267 3.786 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.611 4.086 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 83 2.217 4.911 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.069 3.833 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.247 2.730 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.662 3.584 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.337 6.225 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.901 6.087 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.797 6.946 -2.934 1.00 0.00 H new ATOM 879 N SER A 84 7.144 4.775 -2.880 1.00 0.00 N ATOM 880 CA SER A 84 8.334 3.908 -2.963 1.00 0.00 C ATOM 881 C SER A 84 8.448 3.055 -1.719 1.00 0.00 C ATOM 882 O SER A 84 7.768 3.297 -0.720 1.00 0.00 O ATOM 883 CB SER A 84 9.659 4.620 -3.200 1.00 0.00 C ATOM 884 OG SER A 84 9.707 5.200 -4.489 1.00 0.00 O ATOM 0 H SER A 84 6.878 5.024 -1.927 1.00 0.00 H new ATOM 0 HA SER A 84 8.163 3.303 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.799 5.394 -2.445 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.480 3.912 -3.086 1.00 0.00 H new ATOM 0 HG SER A 84 8.827 5.127 -4.914 1.00 0.00 H new ATOM 890 N THR A 85 9.265 2.005 -1.778 1.00 0.00 N ATOM 891 CA THR A 85 9.265 0.975 -0.742 1.00 0.00 C ATOM 892 C THR A 85 10.624 0.290 -0.596 1.00 0.00 C ATOM 893 O THR A 85 11.296 -0.007 -1.583 1.00 0.00 O ATOM 894 CB THR A 85 8.134 -0.019 -1.045 1.00 0.00 C ATOM 895 OG1 THR A 85 8.073 -1.073 -0.121 1.00 0.00 O ATOM 896 CG2 THR A 85 8.215 -0.626 -2.443 1.00 0.00 C ATOM 0 H THR A 85 9.934 1.846 -2.531 1.00 0.00 H new ATOM 0 HA THR A 85 9.083 1.441 0.226 1.00 0.00 H new ATOM 0 HB THR A 85 7.232 0.588 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.144 -1.369 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.385 -1.318 -2.588 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.160 0.168 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.158 -1.162 -2.553 1.00 0.00 H new ATOM 904 N GLU A 86 11.035 0.093 0.651 1.00 0.00 N ATOM 905 CA GLU A 86 12.382 -0.334 1.081 1.00 0.00 C ATOM 906 C GLU A 86 12.318 -1.604 1.944 1.00 0.00 C ATOM 907 O GLU A 86 11.308 -1.865 2.603 1.00 0.00 O ATOM 908 CB GLU A 86 13.071 0.798 1.881 1.00 0.00 C ATOM 909 CG GLU A 86 13.213 2.119 1.104 1.00 0.00 C ATOM 910 CD GLU A 86 14.067 3.178 1.828 1.00 0.00 C ATOM 911 OE1 GLU A 86 13.625 3.676 2.908 1.00 0.00 O ATOM 912 OE2 GLU A 86 15.111 3.569 1.282 1.00 0.00 O ATOM 0 H GLU A 86 10.408 0.232 1.443 1.00 0.00 H new ATOM 0 HA GLU A 86 12.961 -0.555 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.501 0.984 2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.061 0.461 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.657 1.911 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.220 2.530 0.920 1.00 0.00 H new ATOM 919 N LYS A 87 13.384 -2.422 1.973 1.00 0.00 N ATOM 920 CA LYS A 87 13.498 -3.601 2.841 1.00 0.00 C ATOM 921 C LYS A 87 13.854 -3.227 4.287 1.00 0.00 C ATOM 922 O LYS A 87 14.864 -2.574 4.522 1.00 0.00 O ATOM 923 CB LYS A 87 14.593 -4.501 2.258 1.00 0.00 C ATOM 924 CG LYS A 87 14.566 -5.901 2.875 1.00 0.00 C ATOM 925 CD LYS A 87 15.833 -6.652 2.460 1.00 0.00 C ATOM 926 CE LYS A 87 15.602 -8.154 2.611 1.00 0.00 C ATOM 927 NZ LYS A 87 16.613 -8.828 3.467 1.00 0.00 N ATOM 0 H LYS A 87 14.203 -2.278 1.383 1.00 0.00 H new ATOM 0 HA LYS A 87 12.535 -4.110 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.464 -4.577 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.568 -4.046 2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.507 -5.833 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.681 -6.443 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.089 -6.414 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.674 -6.338 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.611 -8.320 3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.609 -8.615 1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.626 -9.846 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.552 -8.422 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.369 -8.688 4.468 1.00 0.00 H new ATOM 941 N GLU A 88 13.118 -3.775 5.249 1.00 0.00 N ATOM 942 CA GLU A 88 13.406 -3.715 6.690 1.00 0.00 C ATOM 943 C GLU A 88 13.520 -5.138 7.280 1.00 0.00 C ATOM 944 O GLU A 88 12.542 -5.757 7.713 1.00 0.00 O ATOM 945 CB GLU A 88 12.352 -2.831 7.385 1.00 0.00 C ATOM 946 CG GLU A 88 12.909 -1.454 7.785 1.00 0.00 C ATOM 947 CD GLU A 88 13.995 -1.551 8.869 1.00 0.00 C ATOM 948 OE1 GLU A 88 13.762 -2.320 9.843 1.00 0.00 O ATOM 949 OE2 GLU A 88 15.035 -0.873 8.750 1.00 0.00 O ATOM 0 H GLU A 88 12.266 -4.297 5.043 1.00 0.00 H new ATOM 0 HA GLU A 88 14.375 -3.248 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.500 -2.695 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.983 -3.342 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.322 -0.963 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.094 -0.827 8.147 1.00 0.00 H new ATOM 956 N GLY A 89 14.737 -5.684 7.219 1.00 0.00 N ATOM 957 CA GLY A 89 15.083 -7.053 7.624 1.00 0.00 C ATOM 958 C GLY A 89 14.530 -8.124 6.684 1.00 0.00 C ATOM 959 O GLY A 89 15.248 -8.684 5.857 1.00 0.00 O ATOM 0 H GLY A 89 15.543 -5.164 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.168 -7.147 7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.704 -7.233 8.630 1.00 0.00 H new ATOM 963 N ARG A 90 13.211 -8.347 6.720 1.00 0.00 N ATOM 964 CA ARG A 90 12.457 -9.324 5.887 1.00 0.00 C ATOM 965 C ARG A 90 11.125 -8.752 5.372 1.00 0.00 C ATOM 966 O ARG A 90 10.715 -9.046 4.250 1.00 0.00 O ATOM 967 CB ARG A 90 12.265 -10.635 6.687 1.00 0.00 C ATOM 968 CG ARG A 90 11.518 -11.754 5.933 1.00 0.00 C ATOM 969 CD ARG A 90 11.512 -13.071 6.730 1.00 0.00 C ATOM 970 NE ARG A 90 10.566 -14.048 6.143 1.00 0.00 N ATOM 971 CZ ARG A 90 10.806 -14.970 5.222 1.00 0.00 C ATOM 972 NH1 ARG A 90 11.947 -15.068 4.611 1.00 0.00 N ATOM 973 NH2 ARG A 90 9.849 -15.713 4.765 1.00 0.00 N ATOM 0 H ARG A 90 12.601 -7.833 7.356 1.00 0.00 H new ATOM 0 HA ARG A 90 13.040 -9.542 4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.245 -11.009 6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.720 -10.408 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.492 -11.441 5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.989 -11.917 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.516 -13.496 6.743 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.237 -12.871 7.766 1.00 0.00 H new ATOM 0 HE ARG A 90 9.608 -14.006 6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.702 -14.420 4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.088 -15.793 3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.898 -15.592 5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.046 -16.419 4.056 1.00 0.00 H new ATOM 987 N LYS A 91 10.512 -7.853 6.153 1.00 0.00 N ATOM 988 CA LYS A 91 9.337 -7.065 5.817 1.00 0.00 C ATOM 989 C LYS A 91 9.707 -5.928 4.854 1.00 0.00 C ATOM 990 O LYS A 91 10.831 -5.431 4.861 1.00 0.00 O ATOM 991 CB LYS A 91 8.858 -6.492 7.165 1.00 0.00 C ATOM 992 CG LYS A 91 7.366 -6.163 7.179 1.00 0.00 C ATOM 993 CD LYS A 91 6.533 -7.147 8.014 1.00 0.00 C ATOM 994 CE LYS A 91 6.835 -7.025 9.520 1.00 0.00 C ATOM 995 NZ LYS A 91 5.856 -7.770 10.341 1.00 0.00 N ATOM 0 H LYS A 91 10.851 -7.650 7.093 1.00 0.00 H new ATOM 0 HA LYS A 91 8.570 -7.658 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.073 -7.211 7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.425 -5.589 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.227 -5.156 7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.992 -6.160 6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.473 -6.963 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.737 -8.166 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.838 -7.401 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.825 -5.974 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.094 -7.663 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.902 -7.394 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.883 -8.777 10.084 1.00 0.00 H new ATOM 1009 N PHE A 92 8.740 -5.492 4.050 1.00 0.00 N ATOM 1010 CA PHE A 92 8.832 -4.259 3.261 1.00 0.00 C ATOM 1011 C PHE A 92 8.231 -3.100 4.041 1.00 0.00 C ATOM 1012 O PHE A 92 7.262 -3.295 4.783 1.00 0.00 O ATOM 1013 CB PHE A 92 8.043 -4.392 1.958 1.00 0.00 C ATOM 1014 CG PHE A 92 8.842 -5.065 0.887 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.778 -4.311 0.166 1.00 0.00 C ATOM 1016 CD2 PHE A 92 8.695 -6.441 0.668 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.580 -4.939 -0.795 1.00 0.00 C ATOM 1018 CE2 PHE A 92 9.502 -7.074 -0.298 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.445 -6.321 -1.029 1.00 0.00 C ATOM 0 H PHE A 92 7.858 -5.989 3.924 1.00 0.00 H new ATOM 0 HA PHE A 92 9.885 -4.080 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.132 -4.961 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.738 -3.403 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.880 -3.252 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.971 -7.010 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.302 -4.364 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.399 -8.134 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.064 -6.805 -1.769 1.00 0.00 H new ATOM 1029 N VAL A 93 8.725 -1.896 3.765 1.00 0.00 N ATOM 1030 CA VAL A 93 8.176 -0.633 4.263 1.00 0.00 C ATOM 1031 C VAL A 93 7.885 0.283 3.101 1.00 0.00 C ATOM 1032 O VAL A 93 8.755 0.562 2.287 1.00 0.00 O ATOM 1033 CB VAL A 93 9.137 0.040 5.252 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.713 1.491 5.532 1.00 0.00 C ATOM 1035 CG2 VAL A 93 9.128 -0.795 6.535 1.00 0.00 C ATOM 0 H VAL A 93 9.544 -1.766 3.171 1.00 0.00 H new ATOM 0 HA VAL A 93 7.250 -0.843 4.797 1.00 0.00 H new ATOM 0 HB VAL A 93 10.143 0.085 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.411 1.945 6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.717 2.057 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.710 1.501 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.802 -0.347 7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.118 -0.824 6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.458 -1.809 6.311 1.00 0.00 H new ATOM 1045 N TYR A 94 6.675 0.818 3.088 1.00 0.00 N ATOM 1046 CA TYR A 94 6.082 1.599 2.022 1.00 0.00 C ATOM 1047 C TYR A 94 5.900 3.049 2.498 1.00 0.00 C ATOM 1048 O TYR A 94 5.192 3.288 3.475 1.00 0.00 O ATOM 1049 CB TYR A 94 4.751 0.913 1.658 1.00 0.00 C ATOM 1050 CG TYR A 94 4.882 -0.477 1.037 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.990 -1.649 1.827 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.888 -0.596 -0.367 1.00 0.00 C ATOM 1053 CE1 TYR A 94 5.072 -2.909 1.205 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.988 -1.859 -0.984 1.00 0.00 C ATOM 1055 CZ TYR A 94 5.093 -3.022 -0.198 1.00 0.00 C ATOM 1056 OH TYR A 94 5.215 -4.238 -0.785 1.00 0.00 O ATOM 0 H TYR A 94 6.040 0.709 3.878 1.00 0.00 H new ATOM 0 HA TYR A 94 6.711 1.644 1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 94 4.143 0.835 2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.209 1.554 0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.009 -1.575 2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.815 0.292 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.119 -3.801 1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.984 -1.935 -2.061 1.00 0.00 H new ATOM 0 HH TYR A 94 5.211 -4.133 -1.759 1.00 0.00 H new ATOM 1066 N ARG A 95 6.563 3.988 1.813 1.00 0.00 N ATOM 1067 CA ARG A 95 6.412 5.459 2.003 1.00 0.00 C ATOM 1068 C ARG A 95 5.792 6.196 0.801 1.00 0.00 C ATOM 1069 O ARG A 95 5.853 5.697 -0.328 1.00 0.00 O ATOM 1070 CB ARG A 95 7.785 6.109 2.261 1.00 0.00 C ATOM 1071 CG ARG A 95 8.502 5.646 3.536 1.00 0.00 C ATOM 1072 CD ARG A 95 9.340 6.805 4.119 1.00 0.00 C ATOM 1073 NE ARG A 95 10.478 6.338 4.928 1.00 0.00 N ATOM 1074 CZ ARG A 95 11.527 5.696 4.448 1.00 0.00 C ATOM 1075 NH1 ARG A 95 11.806 5.681 3.176 1.00 0.00 N ATOM 1076 NH2 ARG A 95 12.378 5.063 5.193 1.00 0.00 N ATOM 0 H ARG A 95 7.241 3.753 1.088 1.00 0.00 H new ATOM 0 HA ARG A 95 5.736 5.558 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.431 5.906 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.653 7.190 2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.772 5.308 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.147 4.796 3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.711 7.425 3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.699 7.437 4.733 1.00 0.00 H new ATOM 0 HE ARG A 95 10.454 6.524 5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.206 6.176 2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.625 5.175 2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 95 12.254 5.044 6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.171 4.584 4.767 1.00 0.00 H new ATOM 1090 N PRO A 96 5.212 7.401 0.997 1.00 0.00 N ATOM 1091 CA PRO A 96 4.816 8.298 -0.098 1.00 0.00 C ATOM 1092 C PRO A 96 6.029 8.868 -0.848 1.00 0.00 C ATOM 1093 O PRO A 96 7.131 8.930 -0.296 1.00 0.00 O ATOM 1094 CB PRO A 96 4.024 9.432 0.559 1.00 0.00 C ATOM 1095 CG PRO A 96 4.634 9.505 1.961 1.00 0.00 C ATOM 1096 CD PRO A 96 4.917 8.038 2.281 1.00 0.00 C ATOM 0 HA PRO A 96 4.230 7.756 -0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.139 10.372 0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.957 9.213 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.544 10.105 1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.946 9.951 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.758 7.943 2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.058 7.570 2.762 1.00 0.00 H new