USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 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 12 LYS NZ :NH3+ -141:sc= -2.2 (180deg=-5.28!) USER MOD Single : A 15 THR OG1 : rot 97:sc= -0.176! USER MOD Single : A 19 THR OG1 : rot 71:sc= -0.917 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.0484 (180deg=-0.551) USER MOD Single : A 23 GLN : amide:sc= -3.36! K(o=-3.4!,f=-1.8) USER MOD Single : A 28 GLN : amide:sc= -4.92! K(o=-4.9!,f=-0.75) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.18) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 86:sc= 0.29 USER MOD Single : A 88 SER OG : rot 86:sc= 0.841 USER MOD Single : A 90 THR OG1 : rot 74:sc= 0.528! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 102:sc= -1.88 USER MOD Single : A 94 HIS : no HD1:sc= -0.0474 K(o=-0.047,f=-0.63) USER MOD Single : A 96 LYS NZ :NH3+ 146:sc= -0.143 (180deg=-1.04) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -19:sc= 0.531 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 102 SER OG : rot 180:sc= -0.436 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -10.631 -20.230 -4.530 1.00 0.00 N ATOM 108 CA PHE A 7 -9.954 -18.957 -4.315 1.00 0.00 C ATOM 109 C PHE A 7 -10.650 -17.852 -5.092 1.00 0.00 C ATOM 110 O PHE A 7 -10.902 -16.770 -4.562 1.00 0.00 O ATOM 111 CB PHE A 7 -8.485 -19.046 -4.727 1.00 0.00 C ATOM 112 CG PHE A 7 -7.842 -17.688 -4.560 1.00 0.00 C ATOM 113 CD1 PHE A 7 -7.737 -17.120 -3.286 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.344 -16.998 -5.676 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.136 -15.865 -3.124 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.746 -15.744 -5.514 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.640 -15.178 -4.237 1.00 0.00 C ATOM 0 HA PHE A 7 -9.998 -18.723 -3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.967 -19.785 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.404 -19.376 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.120 -17.650 -2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.423 -17.435 -6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.056 -15.428 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.366 -15.212 -6.374 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.175 -14.211 -4.112 1.00 0.00 H new ATOM 127 N ALA A 8 -10.969 -18.131 -6.347 1.00 0.00 N ATOM 128 CA ALA A 8 -11.646 -17.150 -7.175 1.00 0.00 C ATOM 129 C ALA A 8 -12.954 -16.757 -6.507 1.00 0.00 C ATOM 130 O ALA A 8 -13.364 -15.603 -6.533 1.00 0.00 O ATOM 131 CB ALA A 8 -11.936 -17.741 -8.554 1.00 0.00 C ATOM 0 H ALA A 8 -10.772 -19.019 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.010 -16.273 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.444 -16.998 -9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.999 -18.028 -9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.572 -18.620 -8.447 1.00 0.00 H new ATOM 137 N ARG A 9 -13.609 -17.735 -5.903 1.00 0.00 N ATOM 138 CA ARG A 9 -14.869 -17.482 -5.223 1.00 0.00 C ATOM 139 C ARG A 9 -14.657 -16.684 -3.939 1.00 0.00 C ATOM 140 O ARG A 9 -15.459 -15.825 -3.606 1.00 0.00 O ATOM 141 CB ARG A 9 -15.543 -18.804 -4.861 1.00 0.00 C ATOM 142 CG ARG A 9 -15.984 -19.542 -6.131 1.00 0.00 C ATOM 143 CD ARG A 9 -16.627 -20.875 -5.746 1.00 0.00 C ATOM 144 NE ARG A 9 -17.034 -21.603 -6.942 1.00 0.00 N ATOM 145 CZ ARG A 9 -18.189 -21.343 -7.548 1.00 0.00 C ATOM 146 NH1 ARG A 9 -18.981 -20.422 -7.074 1.00 0.00 N ATOM 147 NH2 ARG A 9 -18.529 -22.009 -8.618 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.293 -18.704 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.497 -16.906 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.854 -19.427 -4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.406 -18.617 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.692 -18.932 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.126 -19.714 -6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.922 -21.474 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.492 -20.698 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.421 -22.325 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.715 -19.901 -6.239 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.867 -20.223 -7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.909 -22.729 -8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.415 -21.810 -9.083 1.00 0.00 H new ATOM 161 N LEU A 10 -13.599 -16.998 -3.199 1.00 0.00 N ATOM 162 CA LEU A 10 -13.341 -16.313 -1.936 1.00 0.00 C ATOM 163 C LEU A 10 -12.958 -14.861 -2.138 1.00 0.00 C ATOM 164 O LEU A 10 -13.428 -13.976 -1.422 1.00 0.00 O ATOM 165 CB LEU A 10 -12.202 -17.020 -1.209 1.00 0.00 C ATOM 166 CG LEU A 10 -12.654 -18.400 -0.682 1.00 0.00 C ATOM 167 CD1 LEU A 10 -11.428 -19.190 -0.194 1.00 0.00 C ATOM 168 CD2 LEU A 10 -13.658 -18.247 0.485 1.00 0.00 C ATOM 0 H LEU A 10 -12.914 -17.712 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.261 -16.341 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.356 -17.144 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.858 -16.404 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.145 -18.933 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.747 -20.164 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.731 -19.328 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.936 -18.639 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.960 -19.233 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.187 -17.699 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.536 -17.700 0.140 1.00 0.00 H new ATOM 180 N VAL A 11 -12.105 -14.623 -3.109 1.00 0.00 N ATOM 181 CA VAL A 11 -11.668 -13.261 -3.383 1.00 0.00 C ATOM 182 C VAL A 11 -12.839 -12.494 -3.954 1.00 0.00 C ATOM 183 O VAL A 11 -13.103 -11.355 -3.568 1.00 0.00 O ATOM 184 CB VAL A 11 -10.487 -13.248 -4.362 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.946 -13.744 -5.717 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.935 -11.822 -4.503 1.00 0.00 C ATOM 0 H VAL A 11 -11.702 -15.337 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.328 -12.793 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.702 -13.900 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.106 -13.734 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.327 -14.761 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.736 -13.094 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.097 -11.824 -5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.719 -11.164 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.597 -11.465 -3.530 1.00 0.00 H new ATOM 196 N LYS A 12 -13.565 -13.146 -4.853 1.00 0.00 N ATOM 197 CA LYS A 12 -14.736 -12.526 -5.437 1.00 0.00 C ATOM 198 C LYS A 12 -15.771 -12.274 -4.360 1.00 0.00 C ATOM 199 O LYS A 12 -16.442 -11.253 -4.373 1.00 0.00 O ATOM 200 CB LYS A 12 -15.333 -13.407 -6.537 1.00 0.00 C ATOM 201 CG LYS A 12 -14.449 -13.329 -7.783 1.00 0.00 C ATOM 202 CD LYS A 12 -14.912 -14.335 -8.840 1.00 0.00 C ATOM 203 CE LYS A 12 -16.221 -13.866 -9.496 1.00 0.00 C ATOM 204 NZ LYS A 12 -16.555 -14.773 -10.630 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.364 -14.089 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.437 -11.578 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.406 -14.439 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.345 -13.078 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.481 -12.320 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.412 -13.530 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.140 -14.453 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.059 -15.312 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.029 -13.867 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.116 -12.842 -9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.939 -14.215 -11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.696 -15.269 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.264 -15.469 -10.321 1.00 0.00 H new ATOM 218 N GLU A 13 -15.913 -13.215 -3.431 1.00 0.00 N ATOM 219 CA GLU A 13 -16.898 -13.049 -2.370 1.00 0.00 C ATOM 220 C GLU A 13 -16.558 -11.877 -1.452 1.00 0.00 C ATOM 221 O GLU A 13 -17.422 -11.059 -1.146 1.00 0.00 O ATOM 222 CB GLU A 13 -16.992 -14.349 -1.583 1.00 0.00 C ATOM 223 CG GLU A 13 -17.778 -15.391 -2.406 1.00 0.00 C ATOM 224 CD GLU A 13 -19.269 -15.348 -2.065 1.00 0.00 C ATOM 225 OE1 GLU A 13 -19.678 -14.435 -1.366 1.00 0.00 O ATOM 226 OE2 GLU A 13 -19.982 -16.232 -2.512 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.373 -14.079 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.864 -12.818 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.993 -14.724 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.488 -14.174 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.639 -15.199 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.385 -16.388 -2.208 1.00 0.00 H new ATOM 233 N VAL A 14 -15.301 -11.778 -1.038 1.00 0.00 N ATOM 234 CA VAL A 14 -14.891 -10.667 -0.182 1.00 0.00 C ATOM 235 C VAL A 14 -15.056 -9.359 -0.927 1.00 0.00 C ATOM 236 O VAL A 14 -15.589 -8.371 -0.405 1.00 0.00 O ATOM 237 CB VAL A 14 -13.423 -10.840 0.233 1.00 0.00 C ATOM 238 CG1 VAL A 14 -12.907 -9.560 0.897 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.327 -11.978 1.239 1.00 0.00 C ATOM 0 H VAL A 14 -14.560 -12.438 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.517 -10.657 0.710 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.825 -11.056 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.865 -9.695 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.984 -8.730 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.505 -9.343 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.288 -12.110 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.932 -11.742 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.692 -12.898 0.783 1.00 0.00 H new ATOM 249 N THR A 15 -14.576 -9.365 -2.153 1.00 0.00 N ATOM 250 CA THR A 15 -14.637 -8.193 -2.984 1.00 0.00 C ATOM 251 C THR A 15 -16.089 -7.820 -3.253 1.00 0.00 C ATOM 252 O THR A 15 -16.427 -6.648 -3.286 1.00 0.00 O ATOM 253 CB THR A 15 -13.904 -8.459 -4.297 1.00 0.00 C ATOM 254 OG1 THR A 15 -12.573 -8.867 -4.015 1.00 0.00 O ATOM 255 CG2 THR A 15 -13.856 -7.182 -5.136 1.00 0.00 C ATOM 0 H THR A 15 -14.139 -10.175 -2.593 1.00 0.00 H new ATOM 0 HA THR A 15 -14.155 -7.361 -2.471 1.00 0.00 H new ATOM 0 HB THR A 15 -14.431 -9.239 -4.847 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.521 -9.845 -4.030 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.332 -7.380 -6.071 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.872 -6.851 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.331 -6.403 -4.583 1.00 0.00 H new ATOM 263 N ASP A 16 -16.944 -8.826 -3.455 1.00 0.00 N ATOM 264 CA ASP A 16 -18.357 -8.572 -3.728 1.00 0.00 C ATOM 265 C ASP A 16 -19.011 -7.835 -2.562 1.00 0.00 C ATOM 266 O ASP A 16 -19.834 -6.944 -2.766 1.00 0.00 O ATOM 267 CB ASP A 16 -19.099 -9.886 -3.985 1.00 0.00 C ATOM 268 CG ASP A 16 -18.710 -10.454 -5.345 1.00 0.00 C ATOM 269 OD1 ASP A 16 -18.096 -9.732 -6.114 1.00 0.00 O ATOM 270 OD2 ASP A 16 -19.032 -11.603 -5.600 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.685 -9.812 -3.435 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.418 -7.947 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.862 -10.605 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.175 -9.717 -3.948 1.00 0.00 H new ATOM 275 N GLU A 17 -18.633 -8.202 -1.341 1.00 0.00 N ATOM 276 CA GLU A 17 -19.179 -7.560 -0.163 1.00 0.00 C ATOM 277 C GLU A 17 -18.832 -6.087 -0.203 1.00 0.00 C ATOM 278 O GLU A 17 -19.655 -5.230 0.114 1.00 0.00 O ATOM 279 CB GLU A 17 -18.580 -8.207 1.081 1.00 0.00 C ATOM 280 CG GLU A 17 -19.098 -9.639 1.194 1.00 0.00 C ATOM 281 CD GLU A 17 -20.551 -9.638 1.661 1.00 0.00 C ATOM 282 OE1 GLU A 17 -21.026 -8.585 2.054 1.00 0.00 O ATOM 283 OE2 GLU A 17 -21.166 -10.692 1.620 1.00 0.00 O1- ATOM 0 H GLU A 17 -17.954 -8.938 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.263 -7.674 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.492 -8.204 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.851 -7.637 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.019 -10.139 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.483 -10.202 1.896 1.00 0.00 H new ATOM 290 N PHE A 18 -17.610 -5.800 -0.628 1.00 0.00 N ATOM 291 CA PHE A 18 -17.183 -4.420 -0.743 1.00 0.00 C ATOM 292 C PHE A 18 -17.881 -3.786 -1.941 1.00 0.00 C ATOM 293 O PHE A 18 -18.354 -2.652 -1.882 1.00 0.00 O ATOM 294 CB PHE A 18 -15.673 -4.347 -0.961 1.00 0.00 C ATOM 295 CG PHE A 18 -14.898 -5.173 0.030 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.449 -5.628 1.246 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.578 -5.484 -0.293 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.665 -6.381 2.114 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.805 -6.232 0.579 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.348 -6.677 1.779 1.00 0.00 C ATOM 0 H PHE A 18 -16.910 -6.493 -0.894 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.438 -3.891 0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.440 -4.686 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.351 -3.308 -0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.472 -5.394 1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.157 -5.140 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.078 -6.735 3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.782 -6.469 0.327 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.741 -7.258 2.458 1.00 0.00 H new ATOM 310 N THR A 19 -17.937 -4.552 -3.025 1.00 0.00 N ATOM 311 CA THR A 19 -18.572 -4.113 -4.257 1.00 0.00 C ATOM 312 C THR A 19 -20.071 -4.299 -4.152 1.00 0.00 C ATOM 313 O THR A 19 -20.795 -4.169 -5.139 1.00 0.00 O ATOM 314 CB THR A 19 -18.022 -4.900 -5.456 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.634 -5.139 -5.267 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.228 -4.097 -6.741 1.00 0.00 C ATOM 0 H THR A 19 -17.544 -5.492 -3.072 1.00 0.00 H new ATOM 0 HA THR A 19 -18.352 -3.057 -4.411 1.00 0.00 H new ATOM 0 HB THR A 19 -18.551 -5.850 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.510 -5.803 -4.557 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.836 -4.660 -7.588 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.292 -3.913 -6.888 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.703 -3.145 -6.663 1.00 0.00 H new ATOM 324 N THR A 20 -20.538 -4.591 -2.942 1.00 0.00 N ATOM 325 CA THR A 20 -21.967 -4.772 -2.709 1.00 0.00 C ATOM 326 C THR A 20 -22.735 -3.646 -3.391 1.00 0.00 C ATOM 327 O THR A 20 -23.944 -3.731 -3.607 1.00 0.00 O ATOM 328 CB THR A 20 -22.269 -4.780 -1.208 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.674 -4.872 -1.011 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.743 -3.494 -0.571 1.00 0.00 C ATOM 0 H THR A 20 -19.954 -4.707 -2.114 1.00 0.00 H new ATOM 0 HA THR A 20 -22.278 -5.730 -3.126 1.00 0.00 H new ATOM 0 HB THR A 20 -21.780 -5.636 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.870 -4.879 -0.051 1.00 0.00 H new ATOM 0 HG21 THR A 20 -21.959 -3.502 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.666 -3.427 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 20 -22.228 -2.634 -1.033 1.00 0.00 H new ATOM 338 N LYS A 21 -21.991 -2.608 -3.769 1.00 0.00 N ATOM 339 CA LYS A 21 -22.543 -1.471 -4.475 1.00 0.00 C ATOM 340 C LYS A 21 -22.930 -1.885 -5.889 1.00 0.00 C ATOM 341 O LYS A 21 -22.992 -1.050 -6.792 1.00 0.00 O ATOM 342 CB LYS A 21 -21.504 -0.358 -4.549 1.00 0.00 C ATOM 343 CG LYS A 21 -21.281 0.222 -3.161 1.00 0.00 C ATOM 344 CD LYS A 21 -20.255 1.343 -3.258 1.00 0.00 C ATOM 345 CE LYS A 21 -20.008 1.924 -1.871 1.00 0.00 C ATOM 346 NZ LYS A 21 -21.266 2.532 -1.354 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.989 -2.539 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.424 -1.115 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.567 -0.747 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.840 0.423 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.219 0.602 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.930 -0.553 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.323 0.963 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.613 2.121 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.665 1.142 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.220 2.676 -1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.039 3.206 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -21.754 3.030 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.884 1.784 -0.979 1.00 0.00 H new ATOM 360 N ASP A 22 -23.185 -3.182 -6.079 1.00 0.00 N ATOM 361 CA ASP A 22 -23.569 -3.699 -7.385 1.00 0.00 C ATOM 362 C ASP A 22 -24.957 -3.193 -7.748 1.00 0.00 C ATOM 363 O ASP A 22 -25.780 -3.919 -8.303 1.00 0.00 O ATOM 364 CB ASP A 22 -23.563 -5.228 -7.369 1.00 0.00 C ATOM 365 CG ASP A 22 -22.300 -5.737 -6.684 1.00 0.00 C ATOM 366 OD1 ASP A 22 -21.311 -5.926 -7.374 1.00 0.00 O1- ATOM 367 OD2 ASP A 22 -22.340 -5.935 -5.482 1.00 0.00 O ATOM 0 H ASP A 22 -23.131 -3.888 -5.344 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.852 -3.352 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -24.445 -5.598 -6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.613 -5.611 -8.388 1.00 0.00 H new ATOM 372 N GLN A 23 -25.202 -1.936 -7.409 1.00 0.00 N ATOM 373 CA GLN A 23 -26.481 -1.298 -7.666 1.00 0.00 C ATOM 374 C GLN A 23 -26.839 -1.359 -9.144 1.00 0.00 C ATOM 375 O GLN A 23 -28.011 -1.267 -9.508 1.00 0.00 O ATOM 376 CB GLN A 23 -26.414 0.166 -7.199 1.00 0.00 C ATOM 377 CG GLN A 23 -25.297 0.940 -7.962 1.00 0.00 C ATOM 378 CD GLN A 23 -24.335 1.631 -6.987 1.00 0.00 C ATOM 379 OE1 GLN A 23 -24.762 2.436 -6.160 1.00 0.00 O ATOM 380 NE2 GLN A 23 -23.055 1.357 -7.039 1.00 0.00 N ATOM 0 H GLN A 23 -24.520 -1.332 -6.949 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.256 -1.829 -7.114 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -27.376 0.650 -7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -26.220 0.202 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -24.742 0.250 -8.597 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -25.749 1.683 -8.618 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.704 0.689 -7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.410 1.811 -6.393 1.00 0.00 H new ATOM 389 N ASP A 24 -25.831 -1.521 -9.986 1.00 0.00 N ATOM 390 CA ASP A 24 -26.048 -1.599 -11.419 1.00 0.00 C ATOM 391 C ASP A 24 -24.772 -2.062 -12.105 1.00 0.00 C ATOM 392 O ASP A 24 -24.754 -2.294 -13.313 1.00 0.00 O ATOM 393 CB ASP A 24 -26.468 -0.220 -11.955 1.00 0.00 C ATOM 394 CG ASP A 24 -27.984 -0.015 -11.855 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.697 -0.995 -11.724 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.406 1.128 -11.912 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.855 -1.601 -9.701 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.842 -2.316 -11.627 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.957 0.561 -11.393 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.154 -0.122 -12.994 1.00 0.00 H new ATOM 401 N LEU A 25 -23.711 -2.197 -11.323 1.00 0.00 N ATOM 402 CA LEU A 25 -22.429 -2.628 -11.873 1.00 0.00 C ATOM 403 C LEU A 25 -22.545 -4.014 -12.471 1.00 0.00 C ATOM 404 O LEU A 25 -23.524 -4.732 -12.260 1.00 0.00 O ATOM 405 CB LEU A 25 -21.326 -2.635 -10.812 1.00 0.00 C ATOM 406 CG LEU A 25 -20.719 -1.243 -10.632 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.820 -0.241 -10.279 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.688 -1.286 -9.496 1.00 0.00 C ATOM 0 H LEU A 25 -23.708 -2.018 -10.319 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.160 -1.910 -12.648 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.734 -2.982 -9.863 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.546 -3.340 -11.100 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.236 -0.935 -11.559 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.383 0.750 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.557 -0.212 -11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.305 -0.545 -9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.252 -0.296 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -20.177 -1.594 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.902 -1.999 -9.745 1.00 0.00 H new ATOM 420 N ARG A 26 -21.519 -4.369 -13.219 1.00 0.00 N ATOM 421 CA ARG A 26 -21.452 -5.667 -13.877 1.00 0.00 C ATOM 422 C ARG A 26 -20.035 -6.219 -13.817 1.00 0.00 C ATOM 423 O ARG A 26 -19.063 -5.495 -14.014 1.00 0.00 O ATOM 424 CB ARG A 26 -21.885 -5.537 -15.329 1.00 0.00 C ATOM 425 CG ARG A 26 -21.978 -6.934 -15.938 1.00 0.00 C ATOM 426 CD ARG A 26 -22.493 -6.835 -17.370 1.00 0.00 C ATOM 427 NE ARG A 26 -23.855 -6.313 -17.383 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.472 -6.032 -18.524 1.00 0.00 C ATOM 429 NH1 ARG A 26 -23.862 -6.222 -19.662 1.00 0.00 N ATOM 430 NH2 ARG A 26 -25.692 -5.565 -18.508 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.710 -3.772 -13.390 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.123 -6.353 -13.359 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.849 -5.032 -15.392 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.170 -4.930 -15.884 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.999 -7.413 -15.925 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.646 -7.557 -15.343 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.841 -6.185 -17.954 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.468 -7.817 -17.841 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.342 -6.161 -16.500 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -22.910 -6.587 -19.675 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.338 -6.006 -20.538 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.170 -5.417 -17.619 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.167 -5.349 -19.384 1.00 0.00 H new ATOM 444 N TRP A 27 -19.919 -7.507 -13.527 1.00 0.00 N ATOM 445 CA TRP A 27 -18.605 -8.149 -13.427 1.00 0.00 C ATOM 446 C TRP A 27 -18.231 -8.903 -14.698 1.00 0.00 C ATOM 447 O TRP A 27 -18.826 -9.930 -15.029 1.00 0.00 O ATOM 448 CB TRP A 27 -18.592 -9.134 -12.247 1.00 0.00 C ATOM 449 CG TRP A 27 -18.372 -8.415 -10.964 1.00 0.00 C ATOM 450 CD1 TRP A 27 -19.146 -7.430 -10.461 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.311 -8.627 -10.012 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.632 -7.046 -9.233 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.495 -7.755 -8.919 1.00 0.00 C ATOM 454 CE3 TRP A 27 -16.219 -9.496 -9.999 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.618 -7.753 -7.840 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.334 -9.495 -8.922 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.533 -8.630 -7.844 1.00 0.00 C ATOM 0 H TRP A 27 -20.709 -8.129 -13.357 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.874 -7.355 -13.274 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.537 -9.676 -12.209 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.806 -9.875 -12.394 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -20.020 -7.011 -10.937 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -19.044 -6.328 -8.637 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -16.059 -10.172 -10.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.775 -7.081 -7.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.489 -10.168 -8.921 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.845 -8.640 -7.011 1.00 0.00 H new ATOM 468 N GLN A 28 -17.208 -8.402 -15.374 1.00 0.00 N ATOM 469 CA GLN A 28 -16.703 -9.039 -16.579 1.00 0.00 C ATOM 470 C GLN A 28 -15.711 -10.126 -16.181 1.00 0.00 C ATOM 471 O GLN A 28 -15.207 -10.126 -15.059 1.00 0.00 O ATOM 472 CB GLN A 28 -15.987 -8.004 -17.440 1.00 0.00 C ATOM 473 CG GLN A 28 -16.875 -6.776 -17.560 1.00 0.00 C ATOM 474 CD GLN A 28 -18.223 -7.164 -18.136 1.00 0.00 C ATOM 475 OE1 GLN A 28 -18.297 -7.755 -19.212 1.00 0.00 O ATOM 476 NE2 GLN A 28 -19.296 -6.872 -17.475 1.00 0.00 N ATOM 0 H GLN A 28 -16.710 -7.553 -15.106 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.530 -9.471 -17.142 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.030 -7.737 -16.993 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.774 -8.415 -18.427 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.008 -6.316 -16.581 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.398 -6.033 -18.199 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.228 -6.382 -16.583 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -20.210 -7.132 -17.846 1.00 0.00 H new ATOM 485 N SER A 29 -15.414 -11.037 -17.094 1.00 0.00 N ATOM 486 CA SER A 29 -14.459 -12.092 -16.792 1.00 0.00 C ATOM 487 C SER A 29 -13.111 -11.461 -16.462 1.00 0.00 C ATOM 488 O SER A 29 -12.294 -12.037 -15.744 1.00 0.00 O ATOM 489 CB SER A 29 -14.315 -13.035 -17.985 1.00 0.00 C ATOM 490 OG SER A 29 -15.543 -13.717 -18.196 1.00 0.00 O ATOM 0 H SER A 29 -15.811 -11.069 -18.033 1.00 0.00 H new ATOM 0 HA SER A 29 -14.815 -12.669 -15.938 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.041 -12.472 -18.877 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.515 -13.752 -17.802 1.00 0.00 H new ATOM 0 HG SER A 29 -15.454 -14.322 -18.962 1.00 0.00 H new ATOM 496 N MET A 30 -12.893 -10.261 -16.993 1.00 0.00 N ATOM 497 CA MET A 30 -11.649 -9.542 -16.751 1.00 0.00 C ATOM 498 C MET A 30 -11.551 -9.183 -15.274 1.00 0.00 C ATOM 499 O MET A 30 -10.492 -9.270 -14.664 1.00 0.00 O ATOM 500 CB MET A 30 -11.607 -8.260 -17.589 1.00 0.00 C ATOM 501 CG MET A 30 -11.608 -8.623 -19.068 1.00 0.00 C ATOM 502 SD MET A 30 -11.567 -7.113 -20.065 1.00 0.00 S ATOM 503 CE MET A 30 -11.671 -7.910 -21.687 1.00 0.00 C ATOM 0 H MET A 30 -13.558 -9.770 -17.590 1.00 0.00 H new ATOM 0 HA MET A 30 -10.811 -10.179 -17.033 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.467 -7.632 -17.357 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.715 -7.682 -17.346 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.745 -9.247 -19.300 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.497 -9.206 -19.309 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.661 -7.149 -22.468 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.819 -8.577 -21.820 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.595 -8.484 -21.752 1.00 0.00 H new ATOM 513 N ALA A 31 -12.678 -8.802 -14.698 1.00 0.00 N ATOM 514 CA ALA A 31 -12.714 -8.443 -13.286 1.00 0.00 C ATOM 515 C ALA A 31 -12.037 -9.537 -12.469 1.00 0.00 C ATOM 516 O ALA A 31 -11.281 -9.266 -11.540 1.00 0.00 O ATOM 517 CB ALA A 31 -14.166 -8.291 -12.845 1.00 0.00 C ATOM 0 H ALA A 31 -13.575 -8.733 -15.179 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.188 -7.501 -13.130 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.199 -8.022 -11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.645 -7.509 -13.434 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.693 -9.233 -12.996 1.00 0.00 H new ATOM 523 N ILE A 32 -12.306 -10.772 -12.849 1.00 0.00 N ATOM 524 CA ILE A 32 -11.732 -11.931 -12.191 1.00 0.00 C ATOM 525 C ILE A 32 -10.243 -12.016 -12.497 1.00 0.00 C ATOM 526 O ILE A 32 -9.433 -12.348 -11.635 1.00 0.00 O ATOM 527 CB ILE A 32 -12.439 -13.175 -12.695 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.939 -13.008 -12.423 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.911 -14.407 -11.958 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.727 -14.201 -12.969 1.00 0.00 C ATOM 0 H ILE A 32 -12.929 -11.000 -13.623 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.859 -11.847 -11.112 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.259 -13.308 -13.762 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.110 -12.913 -11.351 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.297 -12.088 -12.885 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.423 -15.297 -12.324 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.840 -14.505 -12.135 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.094 -14.298 -10.889 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.788 -14.060 -12.764 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.572 -14.278 -14.045 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.383 -15.116 -12.487 1.00 0.00 H new ATOM 542 N MET A 33 -9.886 -11.702 -13.736 1.00 0.00 N ATOM 543 CA MET A 33 -8.489 -11.729 -14.138 1.00 0.00 C ATOM 544 C MET A 33 -7.724 -10.727 -13.286 1.00 0.00 C ATOM 545 O MET A 33 -6.584 -10.963 -12.893 1.00 0.00 O ATOM 546 CB MET A 33 -8.352 -11.365 -15.621 1.00 0.00 C ATOM 547 CG MET A 33 -8.942 -12.481 -16.488 1.00 0.00 C ATOM 548 SD MET A 33 -7.941 -13.980 -16.322 1.00 0.00 S ATOM 549 CE MET A 33 -8.943 -15.043 -17.389 1.00 0.00 C ATOM 0 H MET A 33 -10.538 -11.429 -14.471 1.00 0.00 H new ATOM 0 HA MET A 33 -8.085 -12.731 -13.995 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.866 -10.425 -15.823 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.302 -11.214 -15.872 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.970 -12.684 -16.186 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.972 -12.166 -17.531 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.499 -16.038 -17.432 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.954 -15.113 -16.987 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.981 -14.619 -18.393 1.00 0.00 H new ATOM 559 N ALA A 34 -8.378 -9.609 -12.999 1.00 0.00 N ATOM 560 CA ALA A 34 -7.780 -8.564 -12.187 1.00 0.00 C ATOM 561 C ALA A 34 -7.442 -9.111 -10.808 1.00 0.00 C ATOM 562 O ALA A 34 -6.398 -8.793 -10.247 1.00 0.00 O ATOM 563 CB ALA A 34 -8.758 -7.378 -12.076 1.00 0.00 C ATOM 0 H ALA A 34 -9.325 -9.405 -13.319 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.859 -8.218 -12.656 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.310 -6.593 -11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.971 -6.988 -13.071 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.685 -7.713 -11.611 1.00 0.00 H new ATOM 569 N LEU A 35 -8.326 -9.938 -10.270 1.00 0.00 N ATOM 570 CA LEU A 35 -8.099 -10.525 -8.967 1.00 0.00 C ATOM 571 C LEU A 35 -6.874 -11.427 -9.022 1.00 0.00 C ATOM 572 O LEU A 35 -6.081 -11.472 -8.081 1.00 0.00 O ATOM 573 CB LEU A 35 -9.350 -11.303 -8.563 1.00 0.00 C ATOM 574 CG LEU A 35 -10.418 -10.372 -7.909 1.00 0.00 C ATOM 575 CD1 LEU A 35 -10.405 -8.930 -8.475 1.00 0.00 C ATOM 576 CD2 LEU A 35 -11.827 -10.972 -8.102 1.00 0.00 C ATOM 0 H LEU A 35 -9.201 -10.214 -10.716 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.909 -9.753 -8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.777 -11.788 -9.441 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.078 -12.093 -7.863 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.162 -10.309 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.172 -8.337 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.428 -8.480 -8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.606 -8.958 -9.546 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.567 -10.317 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.039 -11.069 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.871 -11.955 -7.633 1.00 0.00 H new ATOM 588 N GLN A 36 -6.718 -12.131 -10.133 1.00 0.00 N ATOM 589 CA GLN A 36 -5.580 -13.010 -10.303 1.00 0.00 C ATOM 590 C GLN A 36 -4.310 -12.180 -10.390 1.00 0.00 C ATOM 591 O GLN A 36 -3.280 -12.523 -9.805 1.00 0.00 O ATOM 592 CB GLN A 36 -5.767 -13.816 -11.581 1.00 0.00 C ATOM 593 CG GLN A 36 -6.998 -14.698 -11.425 1.00 0.00 C ATOM 594 CD GLN A 36 -6.729 -15.793 -10.402 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.814 -16.599 -10.578 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.471 -15.866 -9.338 1.00 0.00 N ATOM 0 H GLN A 36 -7.362 -12.109 -10.923 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.500 -13.689 -9.454 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.886 -13.149 -12.435 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.886 -14.428 -11.775 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.849 -14.095 -11.109 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.261 -15.143 -12.385 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.227 -15.196 -9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.297 -16.593 -8.644 1.00 0.00 H new ATOM 605 N GLU A 37 -4.406 -11.067 -11.111 1.00 0.00 N ATOM 606 CA GLU A 37 -3.280 -10.162 -11.260 1.00 0.00 C ATOM 607 C GLU A 37 -2.928 -9.545 -9.915 1.00 0.00 C ATOM 608 O GLU A 37 -1.762 -9.345 -9.591 1.00 0.00 O ATOM 609 CB GLU A 37 -3.634 -9.045 -12.240 1.00 0.00 C ATOM 610 CG GLU A 37 -3.771 -9.620 -13.651 1.00 0.00 C ATOM 611 CD GLU A 37 -2.402 -10.039 -14.176 1.00 0.00 C ATOM 612 OE1 GLU A 37 -1.413 -9.616 -13.602 1.00 0.00 O ATOM 613 OE2 GLU A 37 -2.364 -10.779 -15.147 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.252 -10.774 -11.599 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.428 -10.726 -11.639 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.566 -8.567 -11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.862 -8.276 -12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.444 -10.477 -13.640 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.213 -8.877 -14.315 1.00 0.00 H new ATOM 620 N ALA A 38 -3.965 -9.217 -9.151 1.00 0.00 N ATOM 621 CA ALA A 38 -3.782 -8.589 -7.847 1.00 0.00 C ATOM 622 C ALA A 38 -3.065 -9.498 -6.859 1.00 0.00 C ATOM 623 O ALA A 38 -2.145 -9.065 -6.164 1.00 0.00 O ATOM 624 CB ALA A 38 -5.141 -8.203 -7.273 1.00 0.00 C ATOM 0 H ALA A 38 -4.938 -9.375 -9.411 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.160 -7.706 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.004 -7.734 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.635 -7.503 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.756 -9.096 -7.163 1.00 0.00 H new ATOM 630 N SER A 39 -3.497 -10.747 -6.778 1.00 0.00 N ATOM 631 CA SER A 39 -2.886 -11.677 -5.840 1.00 0.00 C ATOM 632 C SER A 39 -1.434 -11.965 -6.199 1.00 0.00 C ATOM 633 O SER A 39 -0.552 -11.919 -5.342 1.00 0.00 O ATOM 634 CB SER A 39 -3.676 -12.985 -5.807 1.00 0.00 C ATOM 635 OG SER A 39 -3.060 -13.884 -4.894 1.00 0.00 O ATOM 0 H SER A 39 -4.255 -11.136 -7.339 1.00 0.00 H new ATOM 0 HA SER A 39 -2.905 -11.211 -4.855 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.706 -12.793 -5.507 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.711 -13.427 -6.803 1.00 0.00 H new ATOM 0 HG SER A 39 -3.566 -14.723 -4.870 1.00 0.00 H new ATOM 641 N GLU A 40 -1.194 -12.272 -7.467 1.00 0.00 N ATOM 642 CA GLU A 40 0.156 -12.578 -7.920 1.00 0.00 C ATOM 643 C GLU A 40 1.034 -11.332 -7.892 1.00 0.00 C ATOM 644 O GLU A 40 2.239 -11.415 -7.667 1.00 0.00 O ATOM 645 CB GLU A 40 0.106 -13.160 -9.340 1.00 0.00 C ATOM 646 CG GLU A 40 -0.260 -12.071 -10.344 1.00 0.00 C ATOM 647 CD GLU A 40 -0.526 -12.693 -11.710 1.00 0.00 C ATOM 648 OE1 GLU A 40 -0.532 -13.910 -11.794 1.00 0.00 O ATOM 649 OE2 GLU A 40 -0.714 -11.945 -12.656 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.909 -12.316 -8.194 1.00 0.00 H new ATOM 0 HA GLU A 40 0.591 -13.314 -7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.073 -13.592 -9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.626 -13.967 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.143 -11.531 -10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.549 -11.344 -10.417 1.00 0.00 H new ATOM 656 N ALA A 41 0.422 -10.177 -8.123 1.00 0.00 N ATOM 657 CA ALA A 41 1.154 -8.918 -8.127 1.00 0.00 C ATOM 658 C ALA A 41 1.603 -8.548 -6.726 1.00 0.00 C ATOM 659 O ALA A 41 2.724 -8.081 -6.520 1.00 0.00 O ATOM 660 CB ALA A 41 0.280 -7.797 -8.695 1.00 0.00 C ATOM 0 H ALA A 41 -0.577 -10.087 -8.309 1.00 0.00 H new ATOM 0 HA ALA A 41 2.035 -9.045 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.840 -6.862 -8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.009 -8.043 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.614 -7.686 -8.081 1.00 0.00 H new ATOM 1214 N ALA A 75 -5.985 -7.897 5.156 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.503 -6.564 5.412 1.00 0.00 C ATOM 1216 C ALA A 75 -5.911 -5.524 4.470 1.00 0.00 C ATOM 1217 O ALA A 75 -6.532 -4.493 4.209 1.00 0.00 O ATOM 1218 CB ALA A 75 -6.242 -6.150 6.856 1.00 0.00 C ATOM 0 HA ALA A 75 -7.577 -6.607 5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.638 -5.149 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.732 -6.853 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.169 -6.152 7.047 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.711 -5.778 3.961 1.00 0.00 N ATOM 1225 CA VAL A 76 -4.084 -4.832 3.057 1.00 0.00 C ATOM 1226 C VAL A 76 -4.667 -5.035 1.678 1.00 0.00 C ATOM 1227 O VAL A 76 -4.884 -4.081 0.931 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.557 -5.009 3.054 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -2.141 -6.181 2.159 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.902 -3.722 2.553 1.00 0.00 C ATOM 0 H VAL A 76 -4.164 -6.616 4.156 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.282 -3.812 3.387 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.229 -5.224 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.056 -6.284 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.598 -7.100 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.473 -5.994 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.819 -3.843 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.247 -3.508 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.173 -2.896 3.211 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.975 -6.289 1.367 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.600 -6.578 0.087 1.00 0.00 C ATOM 1242 C LEU A 77 -6.983 -5.985 0.093 1.00 0.00 C ATOM 1243 O LEU A 77 -7.457 -5.458 -0.903 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.687 -8.071 -0.191 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.300 -8.626 -0.554 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.404 -10.146 -0.665 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -3.817 -8.046 -1.903 1.00 0.00 C ATOM 0 H LEU A 77 -4.808 -7.098 1.965 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.987 -6.142 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.076 -8.589 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.386 -8.256 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.584 -8.344 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.429 -10.560 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.733 -10.559 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.124 -10.406 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.834 -8.451 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.522 -8.317 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.754 -6.960 -1.831 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.610 -6.063 1.251 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.921 -5.521 1.436 1.00 0.00 C ATOM 1261 C LYS A 78 -8.895 -4.039 1.123 1.00 0.00 C ATOM 1262 O LYS A 78 -9.763 -3.525 0.428 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.328 -5.774 2.880 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.589 -5.018 3.208 1.00 0.00 C ATOM 1265 CD LYS A 78 -11.138 -5.502 4.548 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.331 -4.641 4.930 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.896 -5.111 6.227 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.217 -6.505 2.082 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.644 -5.991 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.484 -6.841 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.526 -5.465 3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.384 -3.948 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.330 -5.168 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.435 -6.548 4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.367 -5.440 5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.027 -3.597 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.092 -4.691 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.712 -4.520 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.201 -6.101 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.170 -5.041 6.968 1.00 0.00 H new ATOM 1281 N SER A 79 -7.868 -3.366 1.610 1.00 0.00 N ATOM 1282 CA SER A 79 -7.718 -1.948 1.341 1.00 0.00 C ATOM 1283 C SER A 79 -7.583 -1.724 -0.158 1.00 0.00 C ATOM 1284 O SER A 79 -8.227 -0.844 -0.728 1.00 0.00 O ATOM 1285 CB SER A 79 -6.491 -1.419 2.071 1.00 0.00 C ATOM 1286 OG SER A 79 -6.238 -0.079 1.668 1.00 0.00 O ATOM 0 H SER A 79 -7.133 -3.773 2.188 1.00 0.00 H new ATOM 0 HA SER A 79 -8.598 -1.412 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.650 -1.462 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.626 -2.045 1.851 1.00 0.00 H new ATOM 0 HG SER A 79 -5.449 0.261 2.140 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.758 -2.547 -0.793 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.559 -2.457 -2.226 1.00 0.00 C ATOM 1294 C PHE A 80 -7.876 -2.706 -2.959 1.00 0.00 C ATOM 1295 O PHE A 80 -8.286 -1.912 -3.795 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.499 -3.488 -2.651 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.595 -3.745 -4.135 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.200 -2.761 -5.040 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.115 -4.964 -4.599 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.327 -2.985 -6.412 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.235 -5.191 -5.971 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.845 -4.200 -6.880 1.00 0.00 C ATOM 0 H PHE A 80 -6.219 -3.282 -0.335 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.212 -1.457 -2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.503 -3.122 -2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.644 -4.419 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.796 -1.826 -4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.421 -5.724 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.026 -2.221 -7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.628 -6.130 -6.331 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.943 -4.372 -7.942 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.534 -3.814 -2.642 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.792 -4.141 -3.295 1.00 0.00 C ATOM 1314 C LEU A 81 -10.827 -3.049 -3.040 1.00 0.00 C ATOM 1315 O LEU A 81 -11.498 -2.605 -3.956 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.343 -5.460 -2.753 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.472 -6.644 -3.197 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.964 -7.908 -2.476 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.552 -6.848 -4.726 1.00 0.00 C ATOM 0 H LEU A 81 -8.222 -4.492 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.600 -4.227 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.383 -5.422 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.365 -5.603 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.432 -6.441 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.356 -8.760 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.880 -7.768 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.006 -8.094 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.926 -7.693 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.585 -7.047 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.202 -5.948 -5.232 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.947 -2.621 -1.789 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.913 -1.588 -1.431 1.00 0.00 C ATOM 1333 C GLU A 82 -11.651 -0.307 -2.204 1.00 0.00 C ATOM 1334 O GLU A 82 -12.559 0.275 -2.797 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.782 -1.301 0.063 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.331 -2.483 0.872 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.847 -2.379 1.010 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.415 -1.466 0.435 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.418 -3.212 1.693 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.391 -2.971 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.915 -1.940 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.737 -1.128 0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.326 -0.391 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.068 -3.420 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.870 -2.500 1.860 1.00 0.00 H new ATOM 1346 N SER A 83 -10.402 0.107 -2.209 1.00 0.00 N ATOM 1347 CA SER A 83 -10.005 1.303 -2.921 1.00 0.00 C ATOM 1348 C SER A 83 -10.214 1.139 -4.414 1.00 0.00 C ATOM 1349 O SER A 83 -10.589 2.081 -5.109 1.00 0.00 O ATOM 1350 CB SER A 83 -8.539 1.589 -2.638 1.00 0.00 C ATOM 1351 OG SER A 83 -8.392 2.035 -1.296 1.00 0.00 O ATOM 0 H SER A 83 -9.641 -0.370 -1.726 1.00 0.00 H new ATOM 0 HA SER A 83 -10.621 2.135 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.944 0.690 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.166 2.347 -3.327 1.00 0.00 H new ATOM 0 HG SER A 83 -8.312 1.261 -0.701 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.943 -0.054 -4.899 1.00 0.00 N ATOM 1358 CA VAL A 84 -10.078 -0.338 -6.313 1.00 0.00 C ATOM 1359 C VAL A 84 -11.508 -0.111 -6.770 1.00 0.00 C ATOM 1360 O VAL A 84 -11.742 0.449 -7.829 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.643 -1.781 -6.606 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -10.040 -2.165 -8.039 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.107 -1.914 -6.439 1.00 0.00 C ATOM 0 H VAL A 84 -9.628 -0.843 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.431 0.342 -6.867 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.140 -2.450 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.729 -3.190 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.121 -2.086 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.552 -1.492 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.806 -2.940 -6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.606 -1.240 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.828 -1.655 -5.417 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.455 -0.552 -5.962 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.857 -0.390 -6.285 1.00 0.00 C ATOM 1375 C ILE A 85 -14.187 1.083 -6.324 1.00 0.00 C ATOM 1376 O ILE A 85 -14.871 1.561 -7.230 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.690 -1.070 -5.213 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.365 -2.560 -5.254 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.192 -0.850 -5.479 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -15.000 -3.284 -4.068 1.00 0.00 C ATOM 0 H ILE A 85 -12.276 -1.026 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.073 -0.837 -7.255 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.460 -0.652 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -14.729 -2.991 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.284 -2.702 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.775 -1.344 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.410 0.218 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.455 -1.268 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.756 -4.345 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -14.616 -2.865 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -16.082 -3.159 -4.102 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.688 1.802 -5.328 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.925 3.218 -5.255 1.00 0.00 C ATOM 1394 C ARG A 86 -13.335 3.905 -6.473 1.00 0.00 C ATOM 1395 O ARG A 86 -13.942 4.799 -7.051 1.00 0.00 O ATOM 1396 CB ARG A 86 -13.276 3.764 -3.984 1.00 0.00 C ATOM 1397 CG ARG A 86 -14.038 3.245 -2.767 1.00 0.00 C ATOM 1398 CD ARG A 86 -13.488 3.902 -1.500 1.00 0.00 C ATOM 1399 NE ARG A 86 -13.762 5.335 -1.516 1.00 0.00 N ATOM 1400 CZ ARG A 86 -13.228 6.147 -0.610 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -12.447 5.667 0.318 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -13.487 7.425 -0.648 1.00 0.00 N1+ ATOM 0 H ARG A 86 -13.122 1.422 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.998 3.410 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.232 3.455 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.285 4.854 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.101 3.463 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.940 2.162 -2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.942 3.447 -0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.414 3.730 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.374 5.720 -2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.246 4.668 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.038 6.291 1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.099 7.800 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.078 8.049 0.047 1.00 0.00 H new ATOM 1416 N ASP A 87 -12.148 3.468 -6.859 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.464 4.043 -8.003 1.00 0.00 C ATOM 1418 C ASP A 87 -11.997 3.515 -9.324 1.00 0.00 C ATOM 1419 O ASP A 87 -11.836 4.137 -10.370 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.979 3.705 -7.903 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.323 4.523 -6.795 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.950 5.457 -6.322 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -8.202 4.203 -6.435 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.638 2.716 -6.396 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.632 5.120 -7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.854 2.641 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.488 3.909 -8.854 1.00 0.00 H new ATOM 1428 N SER A 88 -12.601 2.353 -9.265 1.00 0.00 N ATOM 1429 CA SER A 88 -13.119 1.703 -10.461 1.00 0.00 C ATOM 1430 C SER A 88 -14.480 2.233 -10.817 1.00 0.00 C ATOM 1431 O SER A 88 -14.756 2.542 -11.973 1.00 0.00 O ATOM 1432 CB SER A 88 -13.198 0.193 -10.255 1.00 0.00 C ATOM 1433 OG SER A 88 -11.891 -0.326 -10.052 1.00 0.00 O ATOM 0 H SER A 88 -12.750 1.830 -8.402 1.00 0.00 H new ATOM 0 HA SER A 88 -12.434 1.920 -11.280 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.829 -0.035 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.658 -0.280 -11.123 1.00 0.00 H new ATOM 0 HG SER A 88 -11.656 -0.258 -9.103 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.327 2.353 -9.815 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.648 2.866 -10.051 1.00 0.00 C ATOM 1441 C VAL A 89 -16.523 4.345 -10.354 1.00 0.00 C ATOM 1442 O VAL A 89 -17.313 4.909 -11.099 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.543 2.592 -8.838 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -17.212 3.551 -7.699 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -19.004 2.756 -9.236 1.00 0.00 C ATOM 0 H VAL A 89 -15.123 2.105 -8.847 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.118 2.371 -10.901 1.00 0.00 H new ATOM 0 HB VAL A 89 -17.367 1.572 -8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -17.858 3.341 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.170 3.421 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.371 4.577 -8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -19.640 2.561 -8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -19.173 3.773 -9.589 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -19.246 2.051 -10.032 1.00 0.00 H new ATOM 1455 N THR A 90 -15.476 4.950 -9.808 1.00 0.00 N ATOM 1456 CA THR A 90 -15.202 6.349 -10.065 1.00 0.00 C ATOM 1457 C THR A 90 -14.901 6.560 -11.545 1.00 0.00 C ATOM 1458 O THR A 90 -15.458 7.455 -12.180 1.00 0.00 O ATOM 1459 CB THR A 90 -14.027 6.810 -9.203 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.436 6.865 -7.847 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.538 8.190 -9.654 1.00 0.00 C ATOM 0 H THR A 90 -14.808 4.492 -9.188 1.00 0.00 H new ATOM 0 HA THR A 90 -16.079 6.942 -9.806 1.00 0.00 H new ATOM 0 HB THR A 90 -13.207 6.101 -9.312 1.00 0.00 H new ATOM 0 HG1 THR A 90 -14.518 5.955 -7.493 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.701 8.502 -9.029 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.215 8.140 -10.694 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.349 8.912 -9.561 1.00 0.00 H new ATOM 1469 N TYR A 91 -14.034 5.712 -12.093 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.689 5.799 -13.505 1.00 0.00 C ATOM 1471 C TYR A 91 -14.873 5.365 -14.351 1.00 0.00 C ATOM 1472 O TYR A 91 -15.116 5.925 -15.418 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.456 4.932 -13.833 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.168 5.717 -13.612 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.932 6.892 -14.344 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.211 5.277 -12.682 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.753 7.620 -14.147 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.032 6.007 -12.488 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.804 7.178 -13.219 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.642 7.897 -13.025 1.00 0.00 O ATOM 0 H TYR A 91 -13.563 4.964 -11.584 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.441 6.836 -13.733 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.456 4.040 -13.206 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.508 4.594 -14.868 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.663 7.235 -15.061 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.385 4.374 -12.116 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.576 8.523 -14.712 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.298 5.666 -11.773 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.092 7.453 -12.346 1.00 0.00 H new ATOM 1490 N THR A 92 -15.620 4.369 -13.882 1.00 0.00 N ATOM 1491 CA THR A 92 -16.767 3.937 -14.664 1.00 0.00 C ATOM 1492 C THR A 92 -17.789 5.050 -14.635 1.00 0.00 C ATOM 1493 O THR A 92 -18.308 5.465 -15.665 1.00 0.00 O ATOM 1494 CB THR A 92 -17.396 2.664 -14.094 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.919 2.952 -12.816 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.358 1.525 -13.995 1.00 0.00 C ATOM 0 H THR A 92 -15.462 3.868 -13.007 1.00 0.00 H new ATOM 0 HA THR A 92 -16.441 3.717 -15.680 1.00 0.00 H new ATOM 0 HB THR A 92 -18.191 2.331 -14.761 1.00 0.00 H new ATOM 0 HG1 THR A 92 -18.892 3.054 -12.876 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.834 0.633 -13.587 1.00 0.00 H new ATOM 0 HG22 THR A 92 -15.964 1.304 -14.987 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.542 1.832 -13.341 1.00 0.00 H new ATOM 1504 N GLU A 93 -18.020 5.572 -13.443 1.00 0.00 N ATOM 1505 CA GLU A 93 -18.937 6.685 -13.285 1.00 0.00 C ATOM 1506 C GLU A 93 -18.431 7.861 -14.094 1.00 0.00 C ATOM 1507 O GLU A 93 -19.212 8.600 -14.695 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.066 7.065 -11.819 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.918 6.018 -11.099 1.00 0.00 C ATOM 1510 CD GLU A 93 -21.385 6.189 -11.483 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -21.702 7.189 -12.104 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -22.171 5.317 -11.148 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.589 5.246 -12.578 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.924 6.395 -13.645 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.080 7.127 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.524 8.050 -11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.578 5.016 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.801 6.121 -10.020 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.111 8.008 -14.141 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.524 9.080 -14.927 1.00 0.00 C ATOM 1521 C HIS A 94 -16.965 8.889 -16.362 1.00 0.00 C ATOM 1522 O HIS A 94 -17.221 9.842 -17.098 1.00 0.00 O ATOM 1523 CB HIS A 94 -14.999 9.049 -14.832 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.433 10.301 -15.443 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.258 10.443 -16.810 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -14.000 11.480 -14.885 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -13.740 11.666 -17.028 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.562 12.339 -15.888 1.00 0.00 N ATOM 0 H HIS A 94 -16.442 7.411 -13.655 1.00 0.00 H new ATOM 0 HA HIS A 94 -16.855 10.047 -14.549 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.690 8.969 -13.790 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.610 8.171 -15.348 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.000 11.705 -13.829 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.498 12.056 -18.006 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.186 13.281 -15.777 1.00 0.00 H new ATOM 1536 N ALA A 95 -17.076 7.621 -16.724 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.521 7.216 -18.056 1.00 0.00 C ATOM 1538 C ALA A 95 -18.948 6.693 -17.962 1.00 0.00 C ATOM 1539 O ALA A 95 -19.382 5.879 -18.765 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.604 6.123 -18.605 1.00 0.00 C ATOM 0 H ALA A 95 -16.861 6.840 -16.105 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.485 8.073 -18.729 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.944 5.828 -19.598 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.584 6.502 -18.668 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.630 5.259 -17.941 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.668 7.183 -16.956 1.00 0.00 N ATOM 1547 CA LYS A 96 -21.054 6.791 -16.706 1.00 0.00 C ATOM 1548 C LYS A 96 -21.286 5.308 -16.999 1.00 0.00 C ATOM 1549 O LYS A 96 -22.375 4.896 -17.402 1.00 0.00 O ATOM 1550 CB LYS A 96 -22.062 7.668 -17.494 1.00 0.00 C ATOM 1551 CG LYS A 96 -21.484 8.160 -18.836 1.00 0.00 C ATOM 1552 CD LYS A 96 -21.488 7.024 -19.901 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.616 7.246 -20.917 1.00 0.00 C ATOM 1554 NZ LYS A 96 -22.404 8.542 -21.622 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.307 7.865 -16.289 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.233 6.957 -15.644 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -22.971 7.095 -17.680 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.346 8.527 -16.886 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -22.069 9.005 -19.199 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.466 8.519 -18.687 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.527 6.996 -20.415 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.616 6.059 -19.411 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -22.637 6.428 -21.637 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -23.581 7.250 -20.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -22.735 8.461 -22.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -22.938 9.292 -21.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -21.391 8.779 -21.616 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.264 4.509 -16.753 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.355 3.061 -16.945 1.00 0.00 C ATOM 1570 C ARG A 97 -20.668 2.380 -15.621 1.00 0.00 C ATOM 1571 O ARG A 97 -20.435 2.932 -14.544 1.00 0.00 O ATOM 1572 CB ARG A 97 -19.036 2.479 -17.506 1.00 0.00 C ATOM 1573 CG ARG A 97 -18.945 2.671 -19.029 1.00 0.00 C ATOM 1574 CD ARG A 97 -17.554 2.254 -19.527 1.00 0.00 C ATOM 1575 NE ARG A 97 -17.519 2.263 -20.984 1.00 0.00 N ATOM 1576 CZ ARG A 97 -16.381 2.071 -21.645 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -15.271 1.869 -20.990 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -16.376 2.081 -22.951 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.356 4.833 -16.419 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.153 2.875 -17.664 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.187 2.965 -17.025 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -18.973 1.417 -17.267 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.712 2.076 -19.526 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -19.135 3.713 -19.285 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.799 2.935 -19.133 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.310 1.259 -19.156 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.382 2.419 -21.505 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.275 1.858 -19.970 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.399 1.722 -21.498 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.244 2.236 -23.463 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.504 1.934 -23.459 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.173 1.162 -15.721 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.496 0.351 -14.557 1.00 0.00 C ATOM 1594 C LYS A 98 -20.995 -1.061 -14.836 1.00 0.00 C ATOM 1595 O LYS A 98 -21.749 -1.950 -15.229 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.014 0.365 -14.254 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.865 0.670 -15.509 1.00 0.00 C ATOM 1598 CD LYS A 98 -24.123 -0.609 -16.323 1.00 0.00 C ATOM 1599 CE LYS A 98 -25.118 -0.304 -17.443 1.00 0.00 C ATOM 1600 NZ LYS A 98 -25.379 -1.545 -18.227 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.371 0.706 -16.612 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.011 0.757 -13.669 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.309 -0.601 -13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.222 1.112 -13.488 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -24.815 1.113 -15.210 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.353 1.404 -16.131 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -23.188 -0.981 -16.743 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -24.516 -1.393 -15.675 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -26.049 0.076 -17.023 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -24.721 0.474 -18.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -26.056 -1.338 -18.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -24.488 -1.889 -18.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -25.775 -2.274 -17.601 1.00 0.00 H new ATOM 1614 N THR A 99 -19.690 -1.229 -14.667 1.00 0.00 N ATOM 1615 CA THR A 99 -19.031 -2.497 -14.944 1.00 0.00 C ATOM 1616 C THR A 99 -17.629 -2.510 -14.345 1.00 0.00 C ATOM 1617 O THR A 99 -16.913 -1.512 -14.411 1.00 0.00 O ATOM 1618 CB THR A 99 -18.935 -2.671 -16.462 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.241 -2.683 -17.019 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.227 -3.979 -16.783 1.00 0.00 C ATOM 0 H THR A 99 -19.063 -0.496 -14.336 1.00 0.00 H new ATOM 0 HA THR A 99 -19.606 -3.310 -14.501 1.00 0.00 H new ATOM 0 HB THR A 99 -18.368 -1.843 -16.888 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.894 -2.891 -16.318 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.160 -4.101 -17.864 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.224 -3.964 -16.357 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.789 -4.811 -16.359 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.221 -3.646 -13.785 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.882 -3.764 -13.210 1.00 0.00 C ATOM 1630 C VAL A 100 -14.965 -4.397 -14.247 1.00 0.00 C ATOM 1631 O VAL A 100 -15.256 -5.486 -14.742 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.913 -4.655 -11.963 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.522 -4.695 -11.328 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.917 -4.089 -10.959 1.00 0.00 C ATOM 0 H VAL A 100 -17.790 -4.490 -13.717 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.522 -2.775 -12.928 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.211 -5.665 -12.245 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.545 -5.329 -10.441 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.807 -5.099 -12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.222 -3.686 -11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.940 -4.722 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.620 -3.079 -10.677 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.908 -4.062 -11.411 1.00 0.00 H new ATOM 1644 N THR A 101 -13.866 -3.722 -14.594 1.00 0.00 N ATOM 1645 CA THR A 101 -12.942 -4.260 -15.598 1.00 0.00 C ATOM 1646 C THR A 101 -11.521 -4.310 -15.063 1.00 0.00 C ATOM 1647 O THR A 101 -11.119 -3.476 -14.254 1.00 0.00 O ATOM 1648 CB THR A 101 -12.966 -3.365 -16.843 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.494 -2.070 -16.497 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.397 -3.254 -17.373 1.00 0.00 C ATOM 0 H THR A 101 -13.597 -2.819 -14.204 1.00 0.00 H new ATOM 0 HA THR A 101 -13.262 -5.272 -15.846 1.00 0.00 H new ATOM 0 HB THR A 101 -12.328 -3.799 -17.613 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.506 -1.495 -17.290 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.409 -2.617 -18.258 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.766 -4.246 -17.635 1.00 0.00 H new ATOM 0 HG23 THR A 101 -15.037 -2.820 -16.605 1.00 0.00 H new ATOM 1658 N SER A 102 -10.759 -5.284 -15.547 1.00 0.00 N ATOM 1659 CA SER A 102 -9.370 -5.426 -15.133 1.00 0.00 C ATOM 1660 C SER A 102 -8.586 -4.216 -15.582 1.00 0.00 C ATOM 1661 O SER A 102 -7.516 -3.908 -15.063 1.00 0.00 O ATOM 1662 CB SER A 102 -8.741 -6.669 -15.755 1.00 0.00 C ATOM 1663 OG SER A 102 -8.691 -6.511 -17.168 1.00 0.00 O ATOM 0 H SER A 102 -11.077 -5.981 -16.221 1.00 0.00 H new ATOM 0 HA SER A 102 -9.346 -5.518 -14.047 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.737 -6.820 -15.358 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.323 -7.554 -15.496 1.00 0.00 H new ATOM 0 HG SER A 102 -8.286 -7.307 -17.572 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.133 -3.544 -16.567 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.503 -2.370 -17.115 1.00 0.00 C ATOM 1671 C LEU A 103 -8.551 -1.237 -16.101 1.00 0.00 C ATOM 1672 O LEU A 103 -7.559 -0.547 -15.872 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.248 -1.984 -18.399 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.584 -2.619 -19.628 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -8.712 -4.148 -19.577 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -9.280 -2.097 -20.879 1.00 0.00 C ATOM 0 H LEU A 103 -10.019 -3.794 -17.007 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.456 -2.569 -17.345 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.287 -2.308 -18.333 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.259 -0.899 -18.506 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.526 -2.358 -19.642 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.236 -4.582 -20.456 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.225 -4.524 -18.677 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.766 -4.425 -19.561 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.820 -2.539 -21.763 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.336 -2.366 -20.847 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.183 -1.012 -20.924 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.706 -1.058 -15.490 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.856 -0.021 -14.498 1.00 0.00 C ATOM 1690 C ASP A 104 -8.985 -0.371 -13.299 1.00 0.00 C ATOM 1691 O ASP A 104 -8.425 0.506 -12.640 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.336 0.093 -14.103 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.677 1.517 -13.686 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.758 2.292 -13.478 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.856 1.812 -13.586 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.544 -1.613 -15.663 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.539 0.944 -14.892 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.965 -0.205 -14.942 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.552 -0.592 -13.283 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.845 -1.671 -13.056 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.000 -2.147 -11.967 1.00 0.00 C ATOM 1702 C VAL A 105 -6.569 -1.748 -12.268 1.00 0.00 C ATOM 1703 O VAL A 105 -5.843 -1.273 -11.400 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.102 -3.668 -11.842 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.052 -4.172 -10.842 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.513 -4.063 -11.364 1.00 0.00 C ATOM 0 H VAL A 105 -9.302 -2.408 -13.594 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.325 -1.705 -11.025 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.920 -4.122 -12.816 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.125 -5.256 -10.753 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.056 -3.903 -11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.228 -3.715 -9.868 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.577 -5.148 -11.278 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.708 -3.609 -10.392 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.253 -3.712 -12.084 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.188 -1.924 -13.526 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.859 -1.558 -13.972 1.00 0.00 C ATOM 1718 C VAL A 106 -4.636 -0.063 -13.787 1.00 0.00 C ATOM 1719 O VAL A 106 -3.573 0.361 -13.343 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.681 -1.971 -15.440 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.467 -1.270 -16.038 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.458 -3.488 -15.507 1.00 0.00 C ATOM 0 H VAL A 106 -6.784 -2.319 -14.253 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.114 -2.081 -13.373 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.572 -1.691 -16.001 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.350 -1.570 -17.079 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.608 -0.190 -15.985 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.574 -1.548 -15.478 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.330 -3.791 -16.546 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.565 -3.750 -14.940 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.320 -4.002 -15.082 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.646 0.731 -14.113 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.534 2.168 -13.954 1.00 0.00 C ATOM 1734 C TYR A 107 -5.358 2.477 -12.478 1.00 0.00 C ATOM 1735 O TYR A 107 -4.565 3.338 -12.096 1.00 0.00 O ATOM 1736 CB TYR A 107 -6.804 2.858 -14.461 1.00 0.00 C ATOM 1737 CG TYR A 107 -7.150 2.467 -15.896 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.238 1.793 -16.742 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -8.427 2.787 -16.380 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.616 1.455 -18.047 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -8.795 2.445 -17.686 1.00 0.00 C ATOM 1742 CZ TYR A 107 -7.890 1.782 -18.519 1.00 0.00 C ATOM 1743 OH TYR A 107 -8.257 1.446 -19.806 1.00 0.00 O ATOM 0 H TYR A 107 -6.539 0.408 -14.484 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.681 2.532 -14.527 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.638 2.602 -13.807 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.674 3.939 -14.404 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.252 1.540 -16.382 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -9.130 3.300 -15.741 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.920 0.939 -18.692 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.781 2.694 -18.051 1.00 0.00 H new ATOM 0 HH TYR A 107 -9.175 1.745 -19.973 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.106 1.754 -11.654 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.032 1.935 -10.218 1.00 0.00 C ATOM 1755 C ALA A 108 -4.647 1.557 -9.710 1.00 0.00 C ATOM 1756 O ALA A 108 -4.082 2.226 -8.846 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.093 1.079 -9.527 1.00 0.00 C ATOM 0 H ALA A 108 -6.768 1.040 -11.959 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.217 2.984 -9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.030 1.222 -8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.083 1.375 -9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.924 0.029 -9.765 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.108 0.474 -10.257 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.790 0.010 -9.866 1.00 0.00 C ATOM 1765 C LEU A 109 -1.716 0.989 -10.338 1.00 0.00 C ATOM 1766 O LEU A 109 -0.721 1.221 -9.654 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.547 -1.402 -10.454 1.00 0.00 C ATOM 1768 CG LEU A 109 -2.909 -2.505 -9.445 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -2.876 -3.866 -10.155 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -1.903 -2.516 -8.272 1.00 0.00 C ATOM 0 H LEU A 109 -4.564 -0.095 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.735 -0.045 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.141 -1.527 -11.359 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.501 -1.501 -10.743 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.906 -2.311 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.132 -4.653 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.596 -3.867 -10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.877 -4.046 -10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.174 -3.302 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.900 -2.702 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.925 -1.551 -7.765 1.00 0.00 H new