USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 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 Set 1.1: A 73 ASN : amide:sc= -2.25 K(o=-2.2,f=-11!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -3.68! USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= -1.29 (180deg=-3.95!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.189 USER MOD Single : A 54 THR OG1 : rot 32:sc= 1.04 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.489 F(o=-1,f=-0.49) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -3.25! C(o=-3.3!,f=-9.9!) USER MOD Single : A 87 GLN : amide:sc= -3.89! C(o=-3.9!,f=-5.4!) USER MOD Single : A 91 SER OG : rot -53:sc= 0.686 USER MOD Single : A 95 THR OG1 : rot 82:sc= 0.84 USER MOD Single : A 101 CYS SG : rot -0:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -4.909 15.620 4.129 1.00 0.00 N ATOM 81 CA GLY A 9 -4.279 14.581 3.334 1.00 0.00 C ATOM 82 C GLY A 9 -2.772 14.563 3.493 1.00 0.00 C ATOM 83 O GLY A 9 -2.173 13.505 3.689 1.00 0.00 O ATOM 0 HA2 GLY A 9 -4.683 13.611 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.529 14.730 2.283 1.00 0.00 H new ATOM 87 N LEU A 10 -2.156 15.737 3.408 1.00 0.00 N ATOM 88 CA LEU A 10 -0.708 15.853 3.542 1.00 0.00 C ATOM 89 C LEU A 10 -0.304 15.961 5.009 1.00 0.00 C ATOM 90 O LEU A 10 0.696 16.597 5.342 1.00 0.00 O ATOM 91 CB LEU A 10 -0.200 17.072 2.770 1.00 0.00 C ATOM 92 CG LEU A 10 -0.947 18.383 3.019 1.00 0.00 C ATOM 93 CD1 LEU A 10 -2.152 18.494 2.098 1.00 0.00 C ATOM 94 CD2 LEU A 10 -1.374 18.484 4.475 1.00 0.00 C ATOM 0 H LEU A 10 -2.637 16.622 3.247 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.256 14.953 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.850 17.223 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.246 16.847 1.704 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.273 19.211 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.671 19.433 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.820 18.468 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.830 17.661 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.904 19.423 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.032 17.650 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.493 18.452 5.116 1.00 0.00 H new ATOM 106 N ARG A 11 -1.087 15.335 5.881 1.00 0.00 N ATOM 107 CA ARG A 11 -0.810 15.360 7.312 1.00 0.00 C ATOM 108 C ARG A 11 -0.016 14.127 7.734 1.00 0.00 C ATOM 109 O ARG A 11 0.019 13.126 7.019 1.00 0.00 O ATOM 110 CB ARG A 11 -2.116 15.434 8.104 1.00 0.00 C ATOM 111 CG ARG A 11 -2.749 16.816 8.108 1.00 0.00 C ATOM 112 CD ARG A 11 -4.034 16.839 8.921 1.00 0.00 C ATOM 113 NE ARG A 11 -3.785 17.139 10.328 1.00 0.00 N ATOM 114 CZ ARG A 11 -4.716 17.599 11.157 1.00 0.00 C ATOM 115 NH1 ARG A 11 -5.950 17.810 10.722 1.00 0.00 N ATOM 116 NH2 ARG A 11 -4.412 17.849 12.425 1.00 0.00 N ATOM 0 H ARG A 11 -1.918 14.804 5.622 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.212 16.246 7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.826 14.720 7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.925 15.128 9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.044 17.539 8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.960 17.124 7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.712 17.584 8.506 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.532 15.873 8.839 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.845 16.987 10.695 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.187 17.619 9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.663 18.163 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.463 17.688 12.763 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.127 18.202 13.061 1.00 0.00 H new ATOM 130 N GLU A 12 0.620 14.209 8.898 1.00 0.00 N ATOM 131 CA GLU A 12 1.415 13.100 9.414 1.00 0.00 C ATOM 132 C GLU A 12 0.518 11.948 9.857 1.00 0.00 C ATOM 133 O GLU A 12 -0.225 12.064 10.833 1.00 0.00 O ATOM 134 CB GLU A 12 2.281 13.566 10.586 1.00 0.00 C ATOM 135 CG GLU A 12 3.396 12.597 10.942 1.00 0.00 C ATOM 136 CD GLU A 12 4.250 13.088 12.094 1.00 0.00 C ATOM 137 OE1 GLU A 12 3.734 13.149 13.230 1.00 0.00 O ATOM 138 OE2 GLU A 12 5.433 13.411 11.861 1.00 0.00 O ATOM 0 H GLU A 12 0.601 15.031 9.502 1.00 0.00 H new ATOM 0 HA GLU A 12 2.062 12.746 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.717 14.535 10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.646 13.713 11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.963 11.631 11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.028 12.439 10.068 1.00 0.00 H new ATOM 145 N LEU A 13 0.592 10.837 9.133 1.00 0.00 N ATOM 146 CA LEU A 13 -0.214 9.662 9.449 1.00 0.00 C ATOM 147 C LEU A 13 0.673 8.479 9.825 1.00 0.00 C ATOM 148 O LEU A 13 1.857 8.446 9.487 1.00 0.00 O ATOM 149 CB LEU A 13 -1.101 9.292 8.259 1.00 0.00 C ATOM 150 CG LEU A 13 -2.385 10.106 8.101 1.00 0.00 C ATOM 151 CD1 LEU A 13 -3.061 9.784 6.777 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.331 9.841 9.263 1.00 0.00 C ATOM 0 H LEU A 13 1.202 10.725 8.323 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.846 9.904 10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.513 9.397 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.370 8.239 8.345 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.124 11.164 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.973 10.373 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.386 10.025 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.309 8.723 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.240 10.429 9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.585 8.781 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.847 10.123 10.198 1.00 0.00 H new ATOM 164 N CYS A 14 0.093 7.510 10.523 1.00 0.00 N ATOM 165 CA CYS A 14 0.830 6.324 10.944 1.00 0.00 C ATOM 166 C CYS A 14 -0.048 5.080 10.859 1.00 0.00 C ATOM 167 O CYS A 14 -1.275 5.174 10.841 1.00 0.00 O ATOM 168 CB CYS A 14 1.349 6.500 12.372 1.00 0.00 C ATOM 169 SG CYS A 14 1.864 8.188 12.767 1.00 0.00 S ATOM 0 H CYS A 14 -0.886 7.522 10.810 1.00 0.00 H new ATOM 0 HA CYS A 14 1.678 6.195 10.271 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.569 6.197 13.071 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.194 5.828 12.526 1.00 0.00 H new ATOM 0 HG CYS A 14 2.285 8.237 13.996 1.00 0.00 H new ATOM 175 N ILE A 15 0.590 3.915 10.805 1.00 0.00 N ATOM 176 CA ILE A 15 -0.133 2.652 10.721 1.00 0.00 C ATOM 177 C ILE A 15 0.291 1.700 11.833 1.00 0.00 C ATOM 178 O ILE A 15 1.437 1.252 11.876 1.00 0.00 O ATOM 179 CB ILE A 15 0.089 1.966 9.360 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.256 2.924 8.218 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.744 0.696 9.264 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.096 2.309 6.845 1.00 0.00 C ATOM 0 H ILE A 15 1.605 3.820 10.818 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.192 2.887 10.832 1.00 0.00 H new ATOM 0 HB ILE A 15 1.141 1.694 9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.285 3.264 8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.381 3.806 8.289 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.576 0.223 8.296 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.453 0.009 10.059 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.800 0.945 9.368 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.357 3.044 6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.938 1.995 6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.753 1.444 6.755 1.00 0.00 H new ATOM 194 N GLN A 16 -0.640 1.395 12.731 1.00 0.00 N ATOM 195 CA GLN A 16 -0.362 0.495 13.844 1.00 0.00 C ATOM 196 C GLN A 16 -0.630 -0.954 13.452 1.00 0.00 C ATOM 197 O GLN A 16 -1.781 -1.367 13.308 1.00 0.00 O ATOM 198 CB GLN A 16 -1.212 0.873 15.058 1.00 0.00 C ATOM 199 CG GLN A 16 -0.522 1.842 16.006 1.00 0.00 C ATOM 200 CD GLN A 16 -1.503 2.717 16.761 1.00 0.00 C ATOM 201 OE1 GLN A 16 -2.033 2.322 17.800 1.00 0.00 O ATOM 202 NE2 GLN A 16 -1.750 3.914 16.242 1.00 0.00 N ATOM 0 H GLN A 16 -1.593 1.758 12.710 1.00 0.00 H new ATOM 0 HA GLN A 16 0.692 0.593 14.103 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.146 1.318 14.713 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.473 -0.033 15.605 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.081 1.280 16.719 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.162 2.474 15.439 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.288 4.201 15.379 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.401 4.547 16.707 1.00 0.00 H new ATOM 211 N LYS A 17 0.440 -1.723 13.280 1.00 0.00 N ATOM 212 CA LYS A 17 0.321 -3.127 12.906 1.00 0.00 C ATOM 213 C LYS A 17 0.867 -4.032 14.006 1.00 0.00 C ATOM 214 O LYS A 17 1.553 -3.571 14.918 1.00 0.00 O ATOM 215 CB LYS A 17 1.068 -3.392 11.596 1.00 0.00 C ATOM 216 CG LYS A 17 2.556 -3.635 11.782 1.00 0.00 C ATOM 217 CD LYS A 17 3.337 -3.304 10.522 1.00 0.00 C ATOM 218 CE LYS A 17 3.405 -1.803 10.286 1.00 0.00 C ATOM 219 NZ LYS A 17 4.607 -1.196 10.923 1.00 0.00 N ATOM 0 H LYS A 17 1.400 -1.397 13.394 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.737 -3.351 12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.626 -4.258 11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.928 -2.541 10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.924 -3.028 12.609 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.724 -4.678 12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.347 -3.707 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.868 -3.787 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.422 -1.604 9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.506 -1.332 10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.347 -0.289 11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.975 -1.839 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.339 -1.036 10.201 1.00 0.00 H new ATOM 233 N ALA A 18 0.559 -5.321 13.913 1.00 0.00 N ATOM 234 CA ALA A 18 1.022 -6.291 14.898 1.00 0.00 C ATOM 235 C ALA A 18 2.485 -6.054 15.256 1.00 0.00 C ATOM 236 O ALA A 18 3.192 -5.285 14.604 1.00 0.00 O ATOM 237 CB ALA A 18 0.826 -7.707 14.378 1.00 0.00 C ATOM 0 H ALA A 18 -0.010 -5.718 13.165 1.00 0.00 H new ATOM 0 HA ALA A 18 0.428 -6.164 15.803 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.176 -8.420 15.124 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.232 -7.879 14.180 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.393 -7.838 13.456 1.00 0.00 H new ATOM 243 N PRO A 19 2.953 -6.729 16.316 1.00 0.00 N ATOM 244 CA PRO A 19 4.337 -6.608 16.784 1.00 0.00 C ATOM 245 C PRO A 19 5.332 -7.241 15.819 1.00 0.00 C ATOM 246 O PRO A 19 6.532 -7.282 16.088 1.00 0.00 O ATOM 247 CB PRO A 19 4.328 -7.364 18.116 1.00 0.00 C ATOM 248 CG PRO A 19 3.206 -8.336 17.992 1.00 0.00 C ATOM 249 CD PRO A 19 2.166 -7.663 17.140 1.00 0.00 C ATOM 0 HA PRO A 19 4.649 -5.567 16.871 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.276 -7.874 18.288 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.173 -6.686 18.955 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.544 -9.265 17.534 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.802 -8.592 18.971 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.623 -8.381 16.526 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.427 -7.139 17.746 1.00 0.00 H new ATOM 257 N GLY A 20 4.826 -7.734 14.692 1.00 0.00 N ATOM 258 CA GLY A 20 5.686 -8.359 13.704 1.00 0.00 C ATOM 259 C GLY A 20 4.966 -8.630 12.398 1.00 0.00 C ATOM 260 O GLY A 20 5.213 -9.643 11.745 1.00 0.00 O ATOM 0 H GLY A 20 3.836 -7.712 14.446 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.545 -7.715 13.515 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.072 -9.297 14.104 1.00 0.00 H new ATOM 264 N GLU A 21 4.071 -7.724 12.018 1.00 0.00 N ATOM 265 CA GLU A 21 3.311 -7.873 10.782 1.00 0.00 C ATOM 266 C GLU A 21 3.827 -6.921 9.708 1.00 0.00 C ATOM 267 O GLU A 21 4.203 -5.785 9.998 1.00 0.00 O ATOM 268 CB GLU A 21 1.824 -7.614 11.037 1.00 0.00 C ATOM 269 CG GLU A 21 0.954 -7.803 9.806 1.00 0.00 C ATOM 270 CD GLU A 21 1.324 -9.043 9.015 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.675 -10.064 9.641 1.00 0.00 O ATOM 272 OE2 GLU A 21 1.261 -8.991 7.769 1.00 0.00 O ATOM 0 H GLU A 21 3.854 -6.880 12.548 1.00 0.00 H new ATOM 0 HA GLU A 21 3.439 -8.896 10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.477 -8.284 11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.699 -6.596 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.091 -7.869 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.044 -6.927 9.164 1.00 0.00 H new ATOM 279 N ARG A 22 3.842 -7.392 8.465 1.00 0.00 N ATOM 280 CA ARG A 22 4.314 -6.584 7.347 1.00 0.00 C ATOM 281 C ARG A 22 3.172 -5.771 6.745 1.00 0.00 C ATOM 282 O ARG A 22 2.153 -6.324 6.330 1.00 0.00 O ATOM 283 CB ARG A 22 4.940 -7.477 6.274 1.00 0.00 C ATOM 284 CG ARG A 22 6.417 -7.756 6.499 1.00 0.00 C ATOM 285 CD ARG A 22 6.869 -9.000 5.751 1.00 0.00 C ATOM 286 NE ARG A 22 8.323 -9.134 5.740 1.00 0.00 N ATOM 287 CZ ARG A 22 8.954 -10.282 5.518 1.00 0.00 C ATOM 288 NH1 ARG A 22 8.261 -11.389 5.288 1.00 0.00 N ATOM 289 NH2 ARG A 22 10.280 -10.324 5.525 1.00 0.00 N ATOM 0 H ARG A 22 3.533 -8.329 8.207 1.00 0.00 H new ATOM 0 HA ARG A 22 5.070 -5.894 7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.401 -8.424 6.242 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.813 -7.004 5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.005 -6.899 6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.606 -7.882 7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.427 -9.882 6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.501 -8.960 4.726 1.00 0.00 H new ATOM 0 HE ARG A 22 8.885 -8.300 5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.241 -11.360 5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.748 -12.269 5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.816 -9.474 5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.763 -11.206 5.354 1.00 0.00 H new ATOM 303 N LEU A 23 3.350 -4.455 6.700 1.00 0.00 N ATOM 304 CA LEU A 23 2.335 -3.564 6.149 1.00 0.00 C ATOM 305 C LEU A 23 1.553 -4.252 5.035 1.00 0.00 C ATOM 306 O LEU A 23 0.323 -4.250 5.033 1.00 0.00 O ATOM 307 CB LEU A 23 2.985 -2.286 5.617 1.00 0.00 C ATOM 308 CG LEU A 23 2.159 -1.006 5.754 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.725 -1.245 5.309 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.197 -0.498 7.188 1.00 0.00 C ATOM 0 H LEU A 23 4.188 -3.982 7.038 1.00 0.00 H new ATOM 0 HA LEU A 23 1.641 -3.306 6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.932 -2.141 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.219 -2.433 4.563 1.00 0.00 H new ATOM 0 HG LEU A 23 2.595 -0.244 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.153 -0.323 5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.716 -1.561 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.277 -2.022 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.604 0.413 7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.786 -1.257 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.228 -0.286 7.472 1.00 0.00 H new ATOM 322 N GLY A 24 2.276 -4.844 4.089 1.00 0.00 N ATOM 323 CA GLY A 24 1.634 -5.530 2.984 1.00 0.00 C ATOM 324 C GLY A 24 1.108 -4.572 1.934 1.00 0.00 C ATOM 325 O GLY A 24 0.091 -4.840 1.293 1.00 0.00 O ATOM 0 H GLY A 24 3.296 -4.860 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.346 -6.215 2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.811 -6.135 3.365 1.00 0.00 H new ATOM 329 N ILE A 25 1.800 -3.451 1.758 1.00 0.00 N ATOM 330 CA ILE A 25 1.396 -2.450 0.778 1.00 0.00 C ATOM 331 C ILE A 25 2.355 -2.422 -0.407 1.00 0.00 C ATOM 332 O ILE A 25 3.491 -2.886 -0.310 1.00 0.00 O ATOM 333 CB ILE A 25 1.330 -1.045 1.404 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.484 -0.847 2.389 1.00 0.00 C ATOM 335 CG2 ILE A 25 -0.007 -0.836 2.099 1.00 0.00 C ATOM 336 CD1 ILE A 25 2.948 0.589 2.496 1.00 0.00 C ATOM 0 H ILE A 25 2.643 -3.213 2.281 1.00 0.00 H new ATOM 0 HA ILE A 25 0.402 -2.731 0.431 1.00 0.00 H new ATOM 0 HB ILE A 25 1.424 -0.305 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.173 -1.194 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.324 -1.470 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.038 0.162 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.814 -0.939 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.129 -1.581 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.768 0.654 3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.290 0.935 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.121 1.214 2.833 1.00 0.00 H new ATOM 348 N SER A 26 1.890 -1.873 -1.525 1.00 0.00 N ATOM 349 CA SER A 26 2.706 -1.786 -2.730 1.00 0.00 C ATOM 350 C SER A 26 2.820 -0.341 -3.205 1.00 0.00 C ATOM 351 O SER A 26 1.918 0.468 -2.988 1.00 0.00 O ATOM 352 CB SER A 26 2.108 -2.654 -3.840 1.00 0.00 C ATOM 353 OG SER A 26 3.124 -3.196 -4.666 1.00 0.00 O ATOM 0 H SER A 26 0.953 -1.482 -1.621 1.00 0.00 H new ATOM 0 HA SER A 26 3.705 -2.152 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.524 -3.462 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.424 -2.058 -4.444 1.00 0.00 H new ATOM 0 HG SER A 26 2.717 -3.748 -5.366 1.00 0.00 H new ATOM 359 N ILE A 27 3.936 -0.025 -3.854 1.00 0.00 N ATOM 360 CA ILE A 27 4.169 1.322 -4.360 1.00 0.00 C ATOM 361 C ILE A 27 4.836 1.286 -5.731 1.00 0.00 C ATOM 362 O ILE A 27 5.574 0.353 -6.049 1.00 0.00 O ATOM 363 CB ILE A 27 5.046 2.143 -3.396 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.466 1.575 -3.355 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.434 2.154 -2.003 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.406 2.360 -2.467 1.00 0.00 C ATOM 0 H ILE A 27 4.692 -0.683 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 27 3.193 1.800 -4.445 1.00 0.00 H new ATOM 0 HB ILE A 27 5.096 3.170 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.426 0.543 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.869 1.553 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.065 2.738 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.440 2.600 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.358 1.132 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.394 1.900 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.476 3.386 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.026 2.360 -1.445 1.00 0.00 H new ATOM 378 N ARG A 28 4.574 2.309 -6.538 1.00 0.00 N ATOM 379 CA ARG A 28 5.150 2.395 -7.874 1.00 0.00 C ATOM 380 C ARG A 28 5.822 3.748 -8.091 1.00 0.00 C ATOM 381 O ARG A 28 5.244 4.794 -7.799 1.00 0.00 O ATOM 382 CB ARG A 28 4.069 2.175 -8.934 1.00 0.00 C ATOM 383 CG ARG A 28 3.052 3.302 -9.008 1.00 0.00 C ATOM 384 CD ARG A 28 2.129 3.141 -10.206 1.00 0.00 C ATOM 385 NE ARG A 28 2.645 3.822 -11.390 1.00 0.00 N ATOM 386 CZ ARG A 28 2.004 3.863 -12.553 1.00 0.00 C ATOM 387 NH1 ARG A 28 0.829 3.265 -12.687 1.00 0.00 N ATOM 388 NH2 ARG A 28 2.539 4.503 -13.585 1.00 0.00 N ATOM 0 H ARG A 28 3.966 3.090 -6.290 1.00 0.00 H new ATOM 0 HA ARG A 28 5.905 1.615 -7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.545 2.061 -9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.549 1.241 -8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.461 3.321 -8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.571 4.258 -9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.001 2.081 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.144 3.537 -9.960 1.00 0.00 H new ATOM 0 HE ARG A 28 3.547 4.292 -11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.415 2.772 -11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.339 3.298 -13.581 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.443 4.964 -13.486 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.046 4.534 -14.477 1.00 0.00 H new ATOM 402 N GLY A 29 7.049 3.718 -8.604 1.00 0.00 N ATOM 403 CA GLY A 29 7.779 4.948 -8.850 1.00 0.00 C ATOM 404 C GLY A 29 9.273 4.785 -8.651 1.00 0.00 C ATOM 405 O GLY A 29 9.835 3.731 -8.949 1.00 0.00 O ATOM 0 H GLY A 29 7.550 2.865 -8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.586 5.284 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.409 5.726 -8.182 1.00 0.00 H new ATOM 409 N GLY A 30 9.919 5.831 -8.145 1.00 0.00 N ATOM 410 CA GLY A 30 11.352 5.779 -7.917 1.00 0.00 C ATOM 411 C GLY A 30 12.065 7.017 -8.422 1.00 0.00 C ATOM 412 O GLY A 30 11.727 7.548 -9.480 1.00 0.00 O ATOM 0 H GLY A 30 9.476 6.713 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.543 5.663 -6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.764 4.899 -8.412 1.00 0.00 H new ATOM 611 N GLY A 45 7.947 10.308 -9.497 1.00 0.00 N ATOM 612 CA GLY A 45 6.973 10.246 -8.423 1.00 0.00 C ATOM 613 C GLY A 45 6.710 8.826 -7.961 1.00 0.00 C ATOM 614 O GLY A 45 6.874 7.877 -8.728 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.328 10.839 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.038 10.695 -8.758 1.00 0.00 H new ATOM 618 N ILE A 46 6.302 8.680 -6.705 1.00 0.00 N ATOM 619 CA ILE A 46 6.016 7.366 -6.143 1.00 0.00 C ATOM 620 C ILE A 46 4.641 7.337 -5.485 1.00 0.00 C ATOM 621 O ILE A 46 4.394 8.042 -4.506 1.00 0.00 O ATOM 622 CB ILE A 46 7.078 6.954 -5.107 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.476 7.020 -5.723 1.00 0.00 C ATOM 624 CG2 ILE A 46 6.790 5.556 -4.581 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.580 7.178 -4.701 1.00 0.00 C ATOM 0 H ILE A 46 6.162 9.455 -6.057 1.00 0.00 H new ATOM 0 HA ILE A 46 6.034 6.658 -6.971 1.00 0.00 H new ATOM 0 HB ILE A 46 7.038 7.651 -4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.653 6.112 -6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.517 7.855 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.549 5.279 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.808 5.540 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.806 4.846 -5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.543 7.218 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.427 8.100 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.566 6.330 -4.016 1.00 0.00 H new ATOM 637 N PHE A 47 3.748 6.516 -6.027 1.00 0.00 N ATOM 638 CA PHE A 47 2.397 6.393 -5.492 1.00 0.00 C ATOM 639 C PHE A 47 2.017 4.928 -5.303 1.00 0.00 C ATOM 640 O PHE A 47 2.533 4.048 -5.994 1.00 0.00 O ATOM 641 CB PHE A 47 1.393 7.076 -6.424 1.00 0.00 C ATOM 642 CG PHE A 47 1.767 8.487 -6.778 1.00 0.00 C ATOM 643 CD1 PHE A 47 2.925 8.752 -7.491 1.00 0.00 C ATOM 644 CD2 PHE A 47 0.961 9.548 -6.397 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.272 10.049 -7.819 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.303 10.847 -6.722 1.00 0.00 C ATOM 647 CZ PHE A 47 2.460 11.098 -7.433 1.00 0.00 C ATOM 0 H PHE A 47 3.936 5.925 -6.837 1.00 0.00 H new ATOM 0 HA PHE A 47 2.373 6.884 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.304 6.492 -7.340 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.412 7.077 -5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.564 7.936 -7.794 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.056 9.358 -5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.177 10.242 -8.376 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.666 11.665 -6.420 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.730 12.113 -7.687 1.00 0.00 H new ATOM 657 N ILE A 48 1.113 4.673 -4.364 1.00 0.00 N ATOM 658 CA ILE A 48 0.664 3.315 -4.084 1.00 0.00 C ATOM 659 C ILE A 48 -0.030 2.705 -5.297 1.00 0.00 C ATOM 660 O ILE A 48 -0.945 3.300 -5.866 1.00 0.00 O ATOM 661 CB ILE A 48 -0.299 3.277 -2.883 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.387 3.833 -1.633 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.785 1.856 -2.638 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.516 3.886 -0.421 1.00 0.00 C ATOM 0 H ILE A 48 0.677 5.389 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 48 1.553 2.731 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.163 3.902 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.256 3.218 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.755 4.837 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.465 1.846 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.307 1.492 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.068 1.211 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.037 4.290 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.373 4.525 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.863 2.881 -0.182 1.00 0.00 H new ATOM 676 N SER A 49 0.411 1.513 -5.687 1.00 0.00 N ATOM 677 CA SER A 49 -0.166 0.822 -6.834 1.00 0.00 C ATOM 678 C SER A 49 -1.021 -0.358 -6.383 1.00 0.00 C ATOM 679 O SER A 49 -1.859 -0.857 -7.135 1.00 0.00 O ATOM 680 CB SER A 49 0.940 0.336 -7.772 1.00 0.00 C ATOM 681 OG SER A 49 0.543 -0.835 -8.465 1.00 0.00 O ATOM 0 H SER A 49 1.166 1.006 -5.225 1.00 0.00 H new ATOM 0 HA SER A 49 -0.803 1.526 -7.369 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.185 1.121 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.845 0.134 -7.199 1.00 0.00 H new ATOM 0 HG SER A 49 1.267 -1.125 -9.059 1.00 0.00 H new ATOM 687 N LYS A 50 -0.803 -0.802 -5.149 1.00 0.00 N ATOM 688 CA LYS A 50 -1.553 -1.922 -4.595 1.00 0.00 C ATOM 689 C LYS A 50 -1.488 -1.920 -3.071 1.00 0.00 C ATOM 690 O LYS A 50 -0.535 -1.411 -2.481 1.00 0.00 O ATOM 691 CB LYS A 50 -1.008 -3.246 -5.137 1.00 0.00 C ATOM 692 CG LYS A 50 -1.179 -4.412 -4.180 1.00 0.00 C ATOM 693 CD LYS A 50 -1.070 -5.745 -4.900 1.00 0.00 C ATOM 694 CE LYS A 50 -1.489 -6.900 -4.002 1.00 0.00 C ATOM 695 NZ LYS A 50 -2.962 -7.121 -4.034 1.00 0.00 N ATOM 0 H LYS A 50 -0.112 -0.402 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.595 -1.814 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.512 -3.480 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.051 -3.127 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.421 -4.357 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.149 -4.341 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.697 -5.730 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.044 -5.896 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.978 -7.810 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.174 -6.697 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.207 -7.916 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.449 -6.262 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.259 -7.340 -5.006 1.00 0.00 H new ATOM 709 N VAL A 51 -2.507 -2.494 -2.439 1.00 0.00 N ATOM 710 CA VAL A 51 -2.564 -2.560 -0.983 1.00 0.00 C ATOM 711 C VAL A 51 -3.175 -3.876 -0.516 1.00 0.00 C ATOM 712 O VAL A 51 -4.263 -4.256 -0.950 1.00 0.00 O ATOM 713 CB VAL A 51 -3.381 -1.392 -0.400 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.545 -1.554 1.104 1.00 0.00 C ATOM 715 CG2 VAL A 51 -2.721 -0.062 -0.732 1.00 0.00 C ATOM 0 H VAL A 51 -3.304 -2.920 -2.912 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.538 -2.491 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.372 -1.403 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.125 -0.720 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.064 -2.489 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.563 -1.570 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.312 0.752 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.717 -0.038 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.660 0.054 -1.814 1.00 0.00 H new ATOM 725 N SER A 52 -2.468 -4.569 0.371 1.00 0.00 N ATOM 726 CA SER A 52 -2.939 -5.846 0.894 1.00 0.00 C ATOM 727 C SER A 52 -4.196 -5.656 1.737 1.00 0.00 C ATOM 728 O SER A 52 -4.325 -4.699 2.500 1.00 0.00 O ATOM 729 CB SER A 52 -1.845 -6.512 1.732 1.00 0.00 C ATOM 730 OG SER A 52 -2.326 -7.691 2.354 1.00 0.00 O ATOM 0 H SER A 52 -1.567 -4.268 0.742 1.00 0.00 H new ATOM 0 HA SER A 52 -3.183 -6.490 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.993 -6.754 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.489 -5.816 2.491 1.00 0.00 H new ATOM 0 HG SER A 52 -1.608 -8.099 2.882 1.00 0.00 H new ATOM 736 N PRO A 53 -5.148 -6.591 1.597 1.00 0.00 N ATOM 737 CA PRO A 53 -6.413 -6.551 2.337 1.00 0.00 C ATOM 738 C PRO A 53 -6.223 -6.827 3.824 1.00 0.00 C ATOM 739 O PRO A 53 -6.911 -6.249 4.667 1.00 0.00 O ATOM 740 CB PRO A 53 -7.239 -7.663 1.687 1.00 0.00 C ATOM 741 CG PRO A 53 -6.231 -8.606 1.127 1.00 0.00 C ATOM 742 CD PRO A 53 -5.062 -7.760 0.705 1.00 0.00 C ATOM 0 HA PRO A 53 -6.883 -5.569 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.881 -8.157 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.889 -7.268 0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.931 -9.343 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.640 -9.157 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.117 -8.290 0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.132 -7.471 -0.344 1.00 0.00 H new ATOM 750 N THR A 54 -5.285 -7.714 4.142 1.00 0.00 N ATOM 751 CA THR A 54 -5.006 -8.068 5.528 1.00 0.00 C ATOM 752 C THR A 54 -3.822 -7.275 6.069 1.00 0.00 C ATOM 753 O THR A 54 -3.449 -7.414 7.234 1.00 0.00 O ATOM 754 CB THR A 54 -4.712 -9.573 5.676 1.00 0.00 C ATOM 755 OG1 THR A 54 -3.822 -9.792 6.775 1.00 0.00 O ATOM 756 CG2 THR A 54 -4.099 -10.132 4.401 1.00 0.00 C ATOM 0 H THR A 54 -4.706 -8.200 3.458 1.00 0.00 H new ATOM 0 HA THR A 54 -5.899 -7.822 6.103 1.00 0.00 H new ATOM 0 HB THR A 54 -5.654 -10.088 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.978 -9.112 7.463 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.900 -11.196 4.529 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.792 -9.990 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.165 -9.611 4.188 1.00 0.00 H new ATOM 764 N GLY A 55 -3.234 -6.441 5.217 1.00 0.00 N ATOM 765 CA GLY A 55 -2.098 -5.637 5.629 1.00 0.00 C ATOM 766 C GLY A 55 -2.495 -4.501 6.549 1.00 0.00 C ATOM 767 O GLY A 55 -3.600 -3.967 6.447 1.00 0.00 O ATOM 0 H GLY A 55 -3.524 -6.308 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.371 -6.273 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.606 -5.230 4.746 1.00 0.00 H new ATOM 771 N ALA A 56 -1.594 -4.130 7.453 1.00 0.00 N ATOM 772 CA ALA A 56 -1.857 -3.050 8.395 1.00 0.00 C ATOM 773 C ALA A 56 -2.600 -1.902 7.721 1.00 0.00 C ATOM 774 O ALA A 56 -3.443 -1.249 8.336 1.00 0.00 O ATOM 775 CB ALA A 56 -0.554 -2.552 9.004 1.00 0.00 C ATOM 0 H ALA A 56 -0.675 -4.562 7.552 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.491 -3.442 9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.765 -1.745 9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.062 -3.370 9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.100 -2.183 8.213 1.00 0.00 H new ATOM 781 N ALA A 57 -2.281 -1.660 6.453 1.00 0.00 N ATOM 782 CA ALA A 57 -2.920 -0.591 5.696 1.00 0.00 C ATOM 783 C ALA A 57 -4.347 -0.968 5.312 1.00 0.00 C ATOM 784 O ALA A 57 -5.301 -0.286 5.684 1.00 0.00 O ATOM 785 CB ALA A 57 -2.106 -0.266 4.452 1.00 0.00 C ATOM 0 H ALA A 57 -1.584 -2.190 5.929 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.963 0.294 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.595 0.534 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.106 0.054 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.033 -1.153 3.823 1.00 0.00 H new ATOM 791 N GLY A 58 -4.486 -2.059 4.564 1.00 0.00 N ATOM 792 CA GLY A 58 -5.800 -2.506 4.141 1.00 0.00 C ATOM 793 C GLY A 58 -6.796 -2.539 5.283 1.00 0.00 C ATOM 794 O GLY A 58 -7.986 -2.294 5.085 1.00 0.00 O ATOM 0 H GLY A 58 -3.712 -2.641 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.171 -1.844 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.719 -3.502 3.705 1.00 0.00 H new ATOM 798 N ARG A 59 -6.310 -2.845 6.482 1.00 0.00 N ATOM 799 CA ARG A 59 -7.167 -2.913 7.659 1.00 0.00 C ATOM 800 C ARG A 59 -7.345 -1.531 8.281 1.00 0.00 C ATOM 801 O ARG A 59 -8.395 -1.225 8.848 1.00 0.00 O ATOM 802 CB ARG A 59 -6.577 -3.876 8.691 1.00 0.00 C ATOM 803 CG ARG A 59 -5.282 -3.382 9.314 1.00 0.00 C ATOM 804 CD ARG A 59 -5.052 -4.000 10.685 1.00 0.00 C ATOM 805 NE ARG A 59 -3.632 -4.178 10.974 1.00 0.00 N ATOM 806 CZ ARG A 59 -2.950 -5.274 10.661 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.555 -6.284 10.052 1.00 0.00 N ATOM 808 NH2 ARG A 59 -1.659 -5.361 10.957 1.00 0.00 N ATOM 0 H ARG A 59 -5.327 -3.050 6.663 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.144 -3.281 7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.310 -4.043 9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.397 -4.840 8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.446 -3.626 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.311 -2.296 9.403 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.500 -3.365 11.449 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.556 -4.965 10.737 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.136 -3.419 11.442 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.547 -6.221 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.029 -7.124 9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.190 -4.586 11.425 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.136 -6.203 10.716 1.00 0.00 H new ATOM 822 N ASP A 60 -6.314 -0.701 8.172 1.00 0.00 N ATOM 823 CA ASP A 60 -6.356 0.648 8.724 1.00 0.00 C ATOM 824 C ASP A 60 -7.624 1.375 8.285 1.00 0.00 C ATOM 825 O ASP A 60 -8.448 1.761 9.113 1.00 0.00 O ATOM 826 CB ASP A 60 -5.123 1.440 8.286 1.00 0.00 C ATOM 827 CG ASP A 60 -5.255 2.923 8.573 1.00 0.00 C ATOM 828 OD1 ASP A 60 -6.042 3.286 9.473 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.571 3.721 7.898 1.00 0.00 O ATOM 0 H ASP A 60 -5.438 -0.939 7.706 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.361 0.569 9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.244 1.051 8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.961 1.293 7.218 1.00 0.00 H new ATOM 834 N GLY A 61 -7.773 1.558 6.977 1.00 0.00 N ATOM 835 CA GLY A 61 -8.942 2.238 6.451 1.00 0.00 C ATOM 836 C GLY A 61 -8.592 3.536 5.751 1.00 0.00 C ATOM 837 O GLY A 61 -9.383 4.059 4.966 1.00 0.00 O ATOM 0 H GLY A 61 -7.105 1.247 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.458 1.579 5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.636 2.444 7.266 1.00 0.00 H new ATOM 841 N ARG A 62 -7.403 4.058 6.036 1.00 0.00 N ATOM 842 CA ARG A 62 -6.951 5.304 5.429 1.00 0.00 C ATOM 843 C ARG A 62 -6.063 5.029 4.219 1.00 0.00 C ATOM 844 O ARG A 62 -6.189 5.682 3.182 1.00 0.00 O ATOM 845 CB ARG A 62 -6.189 6.148 6.453 1.00 0.00 C ATOM 846 CG ARG A 62 -7.006 6.489 7.689 1.00 0.00 C ATOM 847 CD ARG A 62 -6.131 7.061 8.794 1.00 0.00 C ATOM 848 NE ARG A 62 -5.291 6.038 9.412 1.00 0.00 N ATOM 849 CZ ARG A 62 -4.693 6.190 10.588 1.00 0.00 C ATOM 850 NH1 ARG A 62 -4.843 7.317 11.271 1.00 0.00 N ATOM 851 NH2 ARG A 62 -3.944 5.214 11.084 1.00 0.00 N ATOM 0 H ARG A 62 -6.736 3.637 6.683 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.830 5.856 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.291 5.611 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.861 7.073 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.781 7.209 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.512 5.594 8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.500 7.850 8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.762 7.520 9.555 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.156 5.159 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.419 8.069 10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.383 7.431 12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.827 4.346 10.562 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.485 5.332 11.987 1.00 0.00 H new ATOM 865 N LEU A 63 -5.165 4.060 4.359 1.00 0.00 N ATOM 866 CA LEU A 63 -4.255 3.699 3.278 1.00 0.00 C ATOM 867 C LEU A 63 -5.006 3.020 2.137 1.00 0.00 C ATOM 868 O LEU A 63 -5.861 2.164 2.367 1.00 0.00 O ATOM 869 CB LEU A 63 -3.153 2.774 3.800 1.00 0.00 C ATOM 870 CG LEU A 63 -1.849 2.767 3.002 1.00 0.00 C ATOM 871 CD1 LEU A 63 -2.037 2.043 1.678 1.00 0.00 C ATOM 872 CD2 LEU A 63 -1.358 4.189 2.770 1.00 0.00 C ATOM 0 H LEU A 63 -5.048 3.510 5.210 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.803 4.614 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.925 3.057 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.544 1.757 3.829 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.095 2.233 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.098 2.048 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.341 1.013 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.806 2.548 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.429 4.165 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.110 4.747 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.183 4.675 3.730 1.00 0.00 H new ATOM 884 N ARG A 64 -4.681 3.407 0.908 1.00 0.00 N ATOM 885 CA ARG A 64 -5.325 2.835 -0.268 1.00 0.00 C ATOM 886 C ARG A 64 -4.559 3.197 -1.537 1.00 0.00 C ATOM 887 O ARG A 64 -3.850 4.202 -1.581 1.00 0.00 O ATOM 888 CB ARG A 64 -6.770 3.325 -0.374 1.00 0.00 C ATOM 889 CG ARG A 64 -6.900 4.839 -0.380 1.00 0.00 C ATOM 890 CD ARG A 64 -6.841 5.398 -1.793 1.00 0.00 C ATOM 891 NE ARG A 64 -8.140 5.343 -2.458 1.00 0.00 N ATOM 892 CZ ARG A 64 -9.141 6.173 -2.186 1.00 0.00 C ATOM 893 NH1 ARG A 64 -8.992 7.117 -1.267 1.00 0.00 N ATOM 894 NH2 ARG A 64 -10.293 6.060 -2.834 1.00 0.00 N ATOM 0 H ARG A 64 -3.976 4.114 0.701 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.324 1.750 -0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.214 2.927 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.343 2.923 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.842 5.126 0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.101 5.276 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.494 6.431 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.112 4.835 -2.375 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.287 4.628 -3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.107 7.207 -0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.762 7.753 -1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.411 5.335 -3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.061 6.698 -2.624 1.00 0.00 H new ATOM 908 N VAL A 65 -4.707 2.371 -2.568 1.00 0.00 N ATOM 909 CA VAL A 65 -4.030 2.604 -3.838 1.00 0.00 C ATOM 910 C VAL A 65 -4.464 3.928 -4.457 1.00 0.00 C ATOM 911 O VAL A 65 -5.570 4.046 -4.983 1.00 0.00 O ATOM 912 CB VAL A 65 -4.307 1.467 -4.839 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.642 1.757 -6.175 1.00 0.00 C ATOM 914 CG2 VAL A 65 -3.833 0.135 -4.276 1.00 0.00 C ATOM 0 H VAL A 65 -5.290 1.534 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.962 2.638 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.383 1.405 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.849 0.942 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.034 2.689 -6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.565 1.848 -6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.036 -0.657 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.761 0.183 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.361 -0.076 -3.346 1.00 0.00 H new ATOM 924 N GLY A 66 -3.585 4.923 -4.391 1.00 0.00 N ATOM 925 CA GLY A 66 -3.895 6.226 -4.949 1.00 0.00 C ATOM 926 C GLY A 66 -3.213 7.355 -4.202 1.00 0.00 C ATOM 927 O GLY A 66 -2.983 8.429 -4.759 1.00 0.00 O ATOM 0 H GLY A 66 -2.663 4.850 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.591 6.251 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.974 6.380 -4.927 1.00 0.00 H new ATOM 931 N LEU A 67 -2.889 7.113 -2.936 1.00 0.00 N ATOM 932 CA LEU A 67 -2.229 8.119 -2.110 1.00 0.00 C ATOM 933 C LEU A 67 -0.759 8.259 -2.493 1.00 0.00 C ATOM 934 O LEU A 67 -0.062 7.264 -2.690 1.00 0.00 O ATOM 935 CB LEU A 67 -2.350 7.751 -0.631 1.00 0.00 C ATOM 936 CG LEU A 67 -3.764 7.766 -0.049 1.00 0.00 C ATOM 937 CD1 LEU A 67 -3.873 6.794 1.115 1.00 0.00 C ATOM 938 CD2 LEU A 67 -4.145 9.173 0.391 1.00 0.00 C ATOM 0 H LEU A 67 -3.072 6.230 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.722 9.076 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.931 6.755 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.734 8.441 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.459 7.449 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.886 6.819 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.644 5.786 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.167 7.080 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.154 9.165 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.445 9.518 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.108 9.845 -0.467 1.00 0.00 H new ATOM 950 N ARG A 68 -0.294 9.500 -2.593 1.00 0.00 N ATOM 951 CA ARG A 68 1.093 9.770 -2.950 1.00 0.00 C ATOM 952 C ARG A 68 1.988 9.742 -1.714 1.00 0.00 C ATOM 953 O ARG A 68 1.822 10.546 -0.796 1.00 0.00 O ATOM 954 CB ARG A 68 1.208 11.127 -3.645 1.00 0.00 C ATOM 955 CG ARG A 68 2.612 11.446 -4.131 1.00 0.00 C ATOM 956 CD ARG A 68 2.730 12.892 -4.586 1.00 0.00 C ATOM 957 NE ARG A 68 3.865 13.094 -5.482 1.00 0.00 N ATOM 958 CZ ARG A 68 4.294 14.290 -5.868 1.00 0.00 C ATOM 959 NH1 ARG A 68 3.685 15.387 -5.438 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.334 14.392 -6.686 1.00 0.00 N ATOM 0 H ARG A 68 -0.858 10.334 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 68 1.424 8.989 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.525 11.150 -4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.885 11.907 -2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.327 11.256 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.872 10.782 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.811 13.189 -5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.837 13.538 -3.715 1.00 0.00 H new ATOM 0 HE ARG A 68 4.356 12.271 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.885 15.313 -4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.017 16.304 -5.736 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.805 13.551 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.662 15.311 -6.981 1.00 0.00 H new ATOM 974 N LEU A 69 2.935 8.811 -1.697 1.00 0.00 N ATOM 975 CA LEU A 69 3.857 8.677 -0.574 1.00 0.00 C ATOM 976 C LEU A 69 4.799 9.874 -0.497 1.00 0.00 C ATOM 977 O LEU A 69 5.604 10.104 -1.401 1.00 0.00 O ATOM 978 CB LEU A 69 4.665 7.385 -0.703 1.00 0.00 C ATOM 979 CG LEU A 69 4.150 6.188 0.096 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.484 6.347 1.571 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.649 6.024 -0.098 1.00 0.00 C ATOM 0 H LEU A 69 3.085 8.137 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 69 3.270 8.641 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.700 7.106 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.690 7.589 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 69 4.645 5.289 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.110 5.485 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.565 6.415 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.017 7.255 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.299 5.167 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.138 6.924 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.434 5.863 -1.154 1.00 0.00 H new ATOM 993 N LEU A 70 4.694 10.634 0.588 1.00 0.00 N ATOM 994 CA LEU A 70 5.539 11.807 0.785 1.00 0.00 C ATOM 995 C LEU A 70 6.775 11.456 1.606 1.00 0.00 C ATOM 996 O LEU A 70 7.902 11.743 1.202 1.00 0.00 O ATOM 997 CB LEU A 70 4.749 12.917 1.480 1.00 0.00 C ATOM 998 CG LEU A 70 3.624 13.554 0.663 1.00 0.00 C ATOM 999 CD1 LEU A 70 2.923 14.635 1.470 1.00 0.00 C ATOM 1000 CD2 LEU A 70 4.169 14.126 -0.638 1.00 0.00 C ATOM 0 H LEU A 70 4.032 10.459 1.344 1.00 0.00 H new ATOM 0 HA LEU A 70 5.864 12.159 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.320 12.511 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.446 13.702 1.774 1.00 0.00 H new ATOM 0 HG LEU A 70 2.895 12.781 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.126 15.076 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.499 14.197 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.641 15.408 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.355 14.575 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.919 14.885 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.624 13.328 -1.224 1.00 0.00 H new ATOM 1012 N GLU A 71 6.556 10.833 2.760 1.00 0.00 N ATOM 1013 CA GLU A 71 7.654 10.442 3.637 1.00 0.00 C ATOM 1014 C GLU A 71 7.275 9.222 4.472 1.00 0.00 C ATOM 1015 O GLU A 71 6.119 9.058 4.863 1.00 0.00 O ATOM 1016 CB GLU A 71 8.040 11.603 4.555 1.00 0.00 C ATOM 1017 CG GLU A 71 8.474 12.852 3.808 1.00 0.00 C ATOM 1018 CD GLU A 71 9.377 13.744 4.638 1.00 0.00 C ATOM 1019 OE1 GLU A 71 9.622 13.408 5.815 1.00 0.00 O ATOM 1020 OE2 GLU A 71 9.837 14.778 4.111 1.00 0.00 O ATOM 0 H GLU A 71 5.629 10.588 3.109 1.00 0.00 H new ATOM 0 HA GLU A 71 8.509 10.182 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.191 11.848 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.849 11.283 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.995 12.562 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.591 13.415 3.506 1.00 0.00 H new ATOM 1027 N VAL A 72 8.258 8.368 4.740 1.00 0.00 N ATOM 1028 CA VAL A 72 8.029 7.163 5.529 1.00 0.00 C ATOM 1029 C VAL A 72 8.881 7.164 6.793 1.00 0.00 C ATOM 1030 O VAL A 72 10.098 6.993 6.733 1.00 0.00 O ATOM 1031 CB VAL A 72 8.338 5.893 4.715 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.233 4.656 5.595 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.405 5.787 3.518 1.00 0.00 C ATOM 0 H VAL A 72 9.220 8.488 4.423 1.00 0.00 H new ATOM 0 HA VAL A 72 6.975 7.161 5.806 1.00 0.00 H new ATOM 0 HB VAL A 72 9.361 5.960 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.455 3.768 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.946 4.732 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.223 4.581 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.638 4.884 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.372 5.743 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.535 6.659 2.877 1.00 0.00 H new ATOM 1043 N ASN A 73 8.233 7.356 7.937 1.00 0.00 N ATOM 1044 CA ASN A 73 8.932 7.379 9.217 1.00 0.00 C ATOM 1045 C ASN A 73 9.885 8.568 9.295 1.00 0.00 C ATOM 1046 O ASN A 73 11.008 8.443 9.784 1.00 0.00 O ATOM 1047 CB ASN A 73 9.706 6.076 9.422 1.00 0.00 C ATOM 1048 CG ASN A 73 8.903 5.040 10.185 1.00 0.00 C ATOM 1049 OD1 ASN A 73 7.958 5.374 10.900 1.00 0.00 O ATOM 1050 ND2 ASN A 73 9.276 3.774 10.035 1.00 0.00 N ATOM 0 H ASN A 73 7.225 7.498 8.004 1.00 0.00 H new ATOM 0 HA ASN A 73 8.188 7.480 10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.990 5.669 8.452 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.629 6.286 9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.773 3.033 10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.066 3.543 9.432 1.00 0.00 H new ATOM 1057 N GLN A 74 9.428 9.718 8.812 1.00 0.00 N ATOM 1058 CA GLN A 74 10.241 10.929 8.827 1.00 0.00 C ATOM 1059 C GLN A 74 11.476 10.767 7.948 1.00 0.00 C ATOM 1060 O GLN A 74 12.531 11.333 8.233 1.00 0.00 O ATOM 1061 CB GLN A 74 10.660 11.269 10.258 1.00 0.00 C ATOM 1062 CG GLN A 74 9.505 11.717 11.140 1.00 0.00 C ATOM 1063 CD GLN A 74 9.761 11.459 12.612 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.551 12.158 13.248 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.093 10.453 13.162 1.00 0.00 N ATOM 0 H GLN A 74 8.500 9.837 8.406 1.00 0.00 H new ATOM 0 HA GLN A 74 9.639 11.745 8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.131 10.395 10.707 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.412 12.058 10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.328 12.782 10.987 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.597 11.196 10.836 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.448 9.900 12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.224 10.233 14.149 1.00 0.00 H new ATOM 1074 N GLN A 75 11.338 9.989 6.878 1.00 0.00 N ATOM 1075 CA GLN A 75 12.444 9.752 5.959 1.00 0.00 C ATOM 1076 C GLN A 75 12.047 10.102 4.528 1.00 0.00 C ATOM 1077 O GLN A 75 11.528 9.262 3.794 1.00 0.00 O ATOM 1078 CB GLN A 75 12.892 8.292 6.033 1.00 0.00 C ATOM 1079 CG GLN A 75 13.267 7.841 7.436 1.00 0.00 C ATOM 1080 CD GLN A 75 14.265 6.699 7.435 1.00 0.00 C ATOM 1081 OE1 GLN A 75 13.817 5.522 7.856 1.00 0.00 O flip ATOM 1082 NE2 GLN A 75 15.425 6.873 7.060 1.00 0.00 N flip ATOM 0 H GLN A 75 10.471 9.513 6.627 1.00 0.00 H new ATOM 0 HA GLN A 75 13.273 10.395 6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.091 7.655 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.748 8.149 5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.686 8.684 7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.367 7.531 7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.726 7.795 6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.085 6.095 7.065 1.00 0.00 H new ATOM 1091 N SER A 76 12.295 11.349 4.139 1.00 0.00 N ATOM 1092 CA SER A 76 11.959 11.812 2.797 1.00 0.00 C ATOM 1093 C SER A 76 12.444 10.820 1.744 1.00 0.00 C ATOM 1094 O SER A 76 13.619 10.452 1.715 1.00 0.00 O ATOM 1095 CB SER A 76 12.576 13.188 2.541 1.00 0.00 C ATOM 1096 OG SER A 76 11.888 13.870 1.506 1.00 0.00 O ATOM 0 H SER A 76 12.727 12.056 4.734 1.00 0.00 H new ATOM 0 HA SER A 76 10.874 11.889 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.544 13.780 3.455 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.626 13.075 2.271 1.00 0.00 H new ATOM 0 HG SER A 76 12.300 14.747 1.362 1.00 0.00 H new ATOM 1102 N LEU A 77 11.531 10.392 0.880 1.00 0.00 N ATOM 1103 CA LEU A 77 11.863 9.442 -0.177 1.00 0.00 C ATOM 1104 C LEU A 77 12.578 10.140 -1.330 1.00 0.00 C ATOM 1105 O LEU A 77 12.949 9.506 -2.319 1.00 0.00 O ATOM 1106 CB LEU A 77 10.596 8.754 -0.689 1.00 0.00 C ATOM 1107 CG LEU A 77 9.603 8.296 0.380 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.258 7.964 -0.248 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.151 7.095 1.137 1.00 0.00 C ATOM 0 H LEU A 77 10.555 10.687 0.890 1.00 0.00 H new ATOM 0 HA LEU A 77 12.533 8.690 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.082 9.438 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.891 7.886 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 77 9.459 9.112 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.564 7.640 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.860 8.849 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.385 7.165 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.431 6.783 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.325 6.274 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.090 7.367 1.619 1.00 0.00 H new ATOM 1121 N LEU A 78 12.769 11.447 -1.197 1.00 0.00 N ATOM 1122 CA LEU A 78 13.442 12.231 -2.227 1.00 0.00 C ATOM 1123 C LEU A 78 14.937 11.932 -2.249 1.00 0.00 C ATOM 1124 O LEU A 78 15.652 12.216 -1.288 1.00 0.00 O ATOM 1125 CB LEU A 78 13.213 13.725 -1.989 1.00 0.00 C ATOM 1126 CG LEU A 78 13.197 14.608 -3.238 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.481 14.430 -4.033 1.00 0.00 C ATOM 1128 CD2 LEU A 78 11.984 14.291 -4.100 1.00 0.00 C ATOM 0 H LEU A 78 12.467 11.987 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 78 13.021 11.954 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.263 13.848 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.993 14.090 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 78 13.131 15.649 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.452 15.066 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.334 14.708 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.579 13.388 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.989 14.929 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.019 13.246 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.074 14.471 -3.528 1.00 0.00 H new ATOM 1140 N GLY A 79 15.405 11.358 -3.354 1.00 0.00 N ATOM 1141 CA GLY A 79 16.813 11.032 -3.481 1.00 0.00 C ATOM 1142 C GLY A 79 17.048 9.549 -3.691 1.00 0.00 C ATOM 1143 O GLY A 79 17.973 9.154 -4.401 1.00 0.00 O ATOM 0 H GLY A 79 14.834 11.113 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.237 11.586 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.340 11.357 -2.584 1.00 0.00 H new ATOM 1147 N LEU A 80 16.210 8.726 -3.070 1.00 0.00 N ATOM 1148 CA LEU A 80 16.332 7.277 -3.190 1.00 0.00 C ATOM 1149 C LEU A 80 15.496 6.755 -4.355 1.00 0.00 C ATOM 1150 O LEU A 80 14.618 7.452 -4.864 1.00 0.00 O ATOM 1151 CB LEU A 80 15.896 6.599 -1.890 1.00 0.00 C ATOM 1152 CG LEU A 80 14.709 7.235 -1.167 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.964 6.195 -0.345 1.00 0.00 C ATOM 1154 CD2 LEU A 80 15.175 8.382 -0.283 1.00 0.00 C ATOM 0 H LEU A 80 15.439 9.037 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 80 17.378 7.040 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.648 5.561 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.746 6.585 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 80 14.025 7.634 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 80 13.122 6.667 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.596 5.407 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.639 5.765 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.317 8.823 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.881 8.007 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.662 9.140 -0.897 1.00 0.00 H new ATOM 1166 N THR A 81 15.774 5.523 -4.771 1.00 0.00 N ATOM 1167 CA THR A 81 15.047 4.907 -5.873 1.00 0.00 C ATOM 1168 C THR A 81 14.010 3.913 -5.362 1.00 0.00 C ATOM 1169 O THR A 81 14.063 3.484 -4.209 1.00 0.00 O ATOM 1170 CB THR A 81 16.002 4.183 -6.841 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.831 3.267 -6.116 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.874 5.181 -7.589 1.00 0.00 C ATOM 0 H THR A 81 16.498 4.933 -4.361 1.00 0.00 H new ATOM 0 HA THR A 81 14.542 5.712 -6.406 1.00 0.00 H new ATOM 0 HB THR A 81 15.402 3.634 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.434 2.809 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.540 4.646 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.241 5.859 -8.162 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.466 5.754 -6.875 1.00 0.00 H new ATOM 1180 N HIS A 82 13.068 3.550 -6.227 1.00 0.00 N ATOM 1181 CA HIS A 82 12.019 2.605 -5.862 1.00 0.00 C ATOM 1182 C HIS A 82 12.550 1.552 -4.893 1.00 0.00 C ATOM 1183 O HIS A 82 12.038 1.400 -3.785 1.00 0.00 O ATOM 1184 CB HIS A 82 11.457 1.927 -7.112 1.00 0.00 C ATOM 1185 CG HIS A 82 10.044 1.455 -6.953 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.647 0.164 -7.231 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.933 2.109 -6.541 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.352 0.045 -6.998 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.895 1.211 -6.577 1.00 0.00 N ATOM 0 H HIS A 82 13.010 3.896 -7.185 1.00 0.00 H new ATOM 0 HA HIS A 82 11.221 3.159 -5.368 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.506 2.625 -7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.089 1.077 -7.369 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.257 -0.582 -7.564 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.874 3.145 -6.240 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.766 -0.853 -7.129 1.00 0.00 H new ATOM 1198 N GLY A 83 13.579 0.826 -5.321 1.00 0.00 N ATOM 1199 CA GLY A 83 14.160 -0.204 -4.480 1.00 0.00 C ATOM 1200 C GLY A 83 14.416 0.279 -3.066 1.00 0.00 C ATOM 1201 O GLY A 83 14.098 -0.414 -2.100 1.00 0.00 O ATOM 0 H GLY A 83 14.020 0.933 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.492 -1.065 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.098 -0.542 -4.921 1.00 0.00 H new ATOM 1205 N GLU A 84 14.994 1.470 -2.944 1.00 0.00 N ATOM 1206 CA GLU A 84 15.296 2.042 -1.637 1.00 0.00 C ATOM 1207 C GLU A 84 14.016 2.464 -0.920 1.00 0.00 C ATOM 1208 O GLU A 84 13.769 2.065 0.218 1.00 0.00 O ATOM 1209 CB GLU A 84 16.230 3.244 -1.785 1.00 0.00 C ATOM 1210 CG GLU A 84 17.704 2.880 -1.724 1.00 0.00 C ATOM 1211 CD GLU A 84 18.217 2.761 -0.302 1.00 0.00 C ATOM 1212 OE1 GLU A 84 17.941 3.672 0.507 1.00 0.00 O ATOM 1213 OE2 GLU A 84 18.894 1.757 0.002 1.00 0.00 O ATOM 0 H GLU A 84 15.262 2.057 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 84 15.792 1.277 -1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.025 3.738 -2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.009 3.964 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.863 1.935 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.283 3.636 -2.253 1.00 0.00 H new ATOM 1220 N ALA A 85 13.206 3.273 -1.595 1.00 0.00 N ATOM 1221 CA ALA A 85 11.952 3.749 -1.024 1.00 0.00 C ATOM 1222 C ALA A 85 11.167 2.603 -0.394 1.00 0.00 C ATOM 1223 O ALA A 85 10.706 2.704 0.743 1.00 0.00 O ATOM 1224 CB ALA A 85 11.116 4.441 -2.090 1.00 0.00 C ATOM 0 H ALA A 85 13.396 3.612 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 85 12.188 4.468 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.182 4.791 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.669 5.290 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.897 3.738 -2.894 1.00 0.00 H new ATOM 1230 N VAL A 86 11.017 1.514 -1.141 1.00 0.00 N ATOM 1231 CA VAL A 86 10.287 0.349 -0.656 1.00 0.00 C ATOM 1232 C VAL A 86 10.892 -0.178 0.641 1.00 0.00 C ATOM 1233 O VAL A 86 10.219 -0.244 1.669 1.00 0.00 O ATOM 1234 CB VAL A 86 10.276 -0.783 -1.701 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.649 -2.041 -1.120 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.540 -0.340 -2.956 1.00 0.00 C ATOM 0 H VAL A 86 11.391 1.414 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 86 9.263 0.673 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 86 11.306 -1.013 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.650 -2.829 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.223 -2.367 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.623 -1.830 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.541 -1.151 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.512 -0.081 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.039 0.531 -3.382 1.00 0.00 H new ATOM 1246 N GLN A 87 12.167 -0.550 0.584 1.00 0.00 N ATOM 1247 CA GLN A 87 12.863 -1.071 1.755 1.00 0.00 C ATOM 1248 C GLN A 87 12.690 -0.140 2.950 1.00 0.00 C ATOM 1249 O GLN A 87 12.822 -0.559 4.101 1.00 0.00 O ATOM 1250 CB GLN A 87 14.350 -1.258 1.449 1.00 0.00 C ATOM 1251 CG GLN A 87 14.630 -2.354 0.434 1.00 0.00 C ATOM 1252 CD GLN A 87 13.938 -3.658 0.778 1.00 0.00 C ATOM 1253 OE1 GLN A 87 14.234 -4.281 1.799 1.00 0.00 O ATOM 1254 NE2 GLN A 87 13.011 -4.080 -0.073 1.00 0.00 N ATOM 0 H GLN A 87 12.738 -0.500 -0.259 1.00 0.00 H new ATOM 0 HA GLN A 87 12.427 -2.038 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.757 -0.318 1.077 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.877 -1.489 2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.304 -2.023 -0.552 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.705 -2.522 0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.797 -3.533 -0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.512 -4.952 0.107 1.00 0.00 H new ATOM 1263 N LEU A 88 12.395 1.125 2.670 1.00 0.00 N ATOM 1264 CA LEU A 88 12.204 2.116 3.723 1.00 0.00 C ATOM 1265 C LEU A 88 10.851 1.935 4.404 1.00 0.00 C ATOM 1266 O LEU A 88 10.703 2.205 5.596 1.00 0.00 O ATOM 1267 CB LEU A 88 12.312 3.529 3.146 1.00 0.00 C ATOM 1268 CG LEU A 88 12.859 4.600 4.090 1.00 0.00 C ATOM 1269 CD1 LEU A 88 13.044 5.917 3.352 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.933 4.781 5.284 1.00 0.00 C ATOM 0 H LEU A 88 12.283 1.488 1.723 1.00 0.00 H new ATOM 0 HA LEU A 88 12.987 1.973 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.950 3.491 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.322 3.840 2.811 1.00 0.00 H new ATOM 0 HG LEU A 88 13.832 4.273 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.434 6.668 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.746 5.778 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.084 6.251 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.338 5.547 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.946 5.086 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.851 3.839 5.827 1.00 0.00 H new ATOM 1282 N LEU A 89 9.867 1.474 3.639 1.00 0.00 N ATOM 1283 CA LEU A 89 8.526 1.253 4.169 1.00 0.00 C ATOM 1284 C LEU A 89 8.464 -0.040 4.974 1.00 0.00 C ATOM 1285 O LEU A 89 7.656 -0.173 5.893 1.00 0.00 O ATOM 1286 CB LEU A 89 7.507 1.207 3.028 1.00 0.00 C ATOM 1287 CG LEU A 89 7.250 -0.170 2.414 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.116 -0.875 3.141 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.937 -0.041 0.930 1.00 0.00 C ATOM 0 H LEU A 89 9.973 1.246 2.650 1.00 0.00 H new ATOM 0 HA LEU A 89 8.283 2.083 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.560 1.601 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.845 1.878 2.238 1.00 0.00 H new ATOM 0 HG LEU A 89 8.153 -0.771 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.947 -1.853 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.379 -1.000 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.207 -0.278 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.757 -1.030 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.049 0.577 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.781 0.423 0.419 1.00 0.00 H new ATOM 1301 N ARG A 90 9.325 -0.991 4.624 1.00 0.00 N ATOM 1302 CA ARG A 90 9.369 -2.274 5.314 1.00 0.00 C ATOM 1303 C ARG A 90 10.419 -2.260 6.421 1.00 0.00 C ATOM 1304 O ARG A 90 10.630 -3.263 7.103 1.00 0.00 O ATOM 1305 CB ARG A 90 9.670 -3.400 4.324 1.00 0.00 C ATOM 1306 CG ARG A 90 10.884 -3.134 3.450 1.00 0.00 C ATOM 1307 CD ARG A 90 11.454 -4.423 2.880 1.00 0.00 C ATOM 1308 NE ARG A 90 12.390 -5.063 3.801 1.00 0.00 N ATOM 1309 CZ ARG A 90 12.667 -6.362 3.783 1.00 0.00 C ATOM 1310 NH1 ARG A 90 12.083 -7.155 2.895 1.00 0.00 N ATOM 1311 NH2 ARG A 90 13.529 -6.870 4.654 1.00 0.00 N ATOM 0 H ARG A 90 10.001 -0.896 3.866 1.00 0.00 H new ATOM 0 HA ARG A 90 8.393 -2.449 5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.827 -4.326 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.800 -3.553 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.607 -2.466 2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.650 -2.624 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.639 -5.111 2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.960 -4.210 1.939 1.00 0.00 H new ATOM 0 HE ARG A 90 12.857 -4.480 4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.420 -6.768 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.297 -8.152 2.883 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.980 -6.263 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.741 -7.868 4.639 1.00 0.00 H new ATOM 1325 N SER A 91 11.075 -1.117 6.592 1.00 0.00 N ATOM 1326 CA SER A 91 12.107 -0.973 7.613 1.00 0.00 C ATOM 1327 C SER A 91 11.525 -0.386 8.895 1.00 0.00 C ATOM 1328 O SER A 91 12.210 0.321 9.635 1.00 0.00 O ATOM 1329 CB SER A 91 13.241 -0.083 7.100 1.00 0.00 C ATOM 1330 OG SER A 91 14.323 -0.058 8.015 1.00 0.00 O ATOM 0 H SER A 91 10.911 -0.277 6.037 1.00 0.00 H new ATOM 0 HA SER A 91 12.504 -1.963 7.835 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.586 -0.450 6.133 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.870 0.930 6.943 1.00 0.00 H new ATOM 0 HG SER A 91 13.992 0.180 8.906 1.00 0.00 H new ATOM 1336 N VAL A 92 10.255 -0.684 9.152 1.00 0.00 N ATOM 1337 CA VAL A 92 9.580 -0.188 10.345 1.00 0.00 C ATOM 1338 C VAL A 92 9.240 -1.328 11.298 1.00 0.00 C ATOM 1339 O VAL A 92 8.944 -2.442 10.870 1.00 0.00 O ATOM 1340 CB VAL A 92 8.287 0.568 9.984 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.449 -0.243 9.007 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.491 0.891 11.240 1.00 0.00 C ATOM 0 H VAL A 92 9.673 -1.266 8.550 1.00 0.00 H new ATOM 0 HA VAL A 92 10.269 0.499 10.837 1.00 0.00 H new ATOM 0 HB VAL A 92 8.558 1.507 9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.540 0.307 8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.021 -0.419 8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.185 -1.198 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.581 1.425 10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.229 -0.035 11.753 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.092 1.514 11.902 1.00 0.00 H new ATOM 1352 N GLY A 93 9.284 -1.040 12.596 1.00 0.00 N ATOM 1353 CA GLY A 93 8.978 -2.051 13.591 1.00 0.00 C ATOM 1354 C GLY A 93 7.545 -2.536 13.503 1.00 0.00 C ATOM 1355 O GLY A 93 7.230 -3.424 12.710 1.00 0.00 O ATOM 0 H GLY A 93 9.526 -0.125 12.976 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.653 -2.897 13.464 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.160 -1.644 14.586 1.00 0.00 H new ATOM 1359 N ASP A 94 6.674 -1.954 14.320 1.00 0.00 N ATOM 1360 CA ASP A 94 5.266 -2.332 14.332 1.00 0.00 C ATOM 1361 C ASP A 94 4.380 -1.142 13.977 1.00 0.00 C ATOM 1362 O ASP A 94 3.157 -1.265 13.898 1.00 0.00 O ATOM 1363 CB ASP A 94 4.875 -2.884 15.704 1.00 0.00 C ATOM 1364 CG ASP A 94 5.051 -1.862 16.810 1.00 0.00 C ATOM 1365 OD1 ASP A 94 4.157 -1.005 16.973 1.00 0.00 O ATOM 1366 OD2 ASP A 94 6.083 -1.918 17.512 1.00 0.00 O ATOM 0 H ASP A 94 6.919 -1.218 14.983 1.00 0.00 H new ATOM 0 HA ASP A 94 5.118 -3.108 13.581 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.836 -3.212 15.678 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.481 -3.763 15.925 1.00 0.00 H new ATOM 1371 N THR A 95 5.005 0.012 13.766 1.00 0.00 N ATOM 1372 CA THR A 95 4.274 1.225 13.422 1.00 0.00 C ATOM 1373 C THR A 95 5.173 2.224 12.702 1.00 0.00 C ATOM 1374 O THR A 95 6.289 2.501 13.144 1.00 0.00 O ATOM 1375 CB THR A 95 3.680 1.897 14.674 1.00 0.00 C ATOM 1376 OG1 THR A 95 3.037 0.918 15.497 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.681 2.977 14.287 1.00 0.00 C ATOM 0 H THR A 95 6.016 0.132 13.827 1.00 0.00 H new ATOM 0 HA THR A 95 3.462 0.927 12.758 1.00 0.00 H new ATOM 0 HB THR A 95 4.494 2.361 15.231 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.707 0.462 16.047 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.275 3.437 15.188 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.181 3.736 13.685 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.870 2.533 13.710 1.00 0.00 H new ATOM 1385 N LEU A 96 4.682 2.761 11.591 1.00 0.00 N ATOM 1386 CA LEU A 96 5.441 3.731 10.809 1.00 0.00 C ATOM 1387 C LEU A 96 4.663 5.033 10.652 1.00 0.00 C ATOM 1388 O LEU A 96 3.455 5.080 10.890 1.00 0.00 O ATOM 1389 CB LEU A 96 5.777 3.154 9.433 1.00 0.00 C ATOM 1390 CG LEU A 96 4.782 3.465 8.314 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.411 3.207 6.954 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.515 2.640 8.483 1.00 0.00 C ATOM 0 H LEU A 96 3.761 2.541 11.211 1.00 0.00 H new ATOM 0 HA LEU A 96 6.367 3.946 11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.757 3.526 9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.862 2.071 9.526 1.00 0.00 H new ATOM 0 HG LEU A 96 4.515 4.520 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.688 3.434 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.289 3.842 6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.707 2.160 6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.818 2.874 7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.764 1.579 8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.053 2.875 9.442 1.00 0.00 H new ATOM 1404 N THR A 97 5.362 6.089 10.247 1.00 0.00 N ATOM 1405 CA THR A 97 4.737 7.392 10.056 1.00 0.00 C ATOM 1406 C THR A 97 4.734 7.790 8.585 1.00 0.00 C ATOM 1407 O THR A 97 5.705 8.358 8.083 1.00 0.00 O ATOM 1408 CB THR A 97 5.454 8.484 10.871 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.908 7.946 12.118 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.529 9.664 11.128 1.00 0.00 C ATOM 0 H THR A 97 6.362 6.067 10.045 1.00 0.00 H new ATOM 0 HA THR A 97 3.709 7.304 10.407 1.00 0.00 H new ATOM 0 HB THR A 97 6.310 8.834 10.294 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.364 8.646 12.630 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.058 10.422 11.705 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.209 10.090 10.177 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.656 9.327 11.686 1.00 0.00 H new ATOM 1418 N VAL A 98 3.637 7.490 7.897 1.00 0.00 N ATOM 1419 CA VAL A 98 3.508 7.819 6.482 1.00 0.00 C ATOM 1420 C VAL A 98 2.882 9.196 6.293 1.00 0.00 C ATOM 1421 O VAL A 98 1.832 9.496 6.864 1.00 0.00 O ATOM 1422 CB VAL A 98 2.657 6.773 5.738 1.00 0.00 C ATOM 1423 CG1 VAL A 98 3.074 5.365 6.135 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.178 6.998 6.012 1.00 0.00 C ATOM 0 H VAL A 98 2.825 7.020 8.296 1.00 0.00 H new ATOM 0 HA VAL A 98 4.515 7.821 6.064 1.00 0.00 H new ATOM 0 HB VAL A 98 2.826 6.887 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.462 4.640 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.123 5.211 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.936 5.234 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.591 6.250 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.989 6.912 7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.892 7.993 5.672 1.00 0.00 H new ATOM 1434 N LEU A 99 3.531 10.030 5.488 1.00 0.00 N ATOM 1435 CA LEU A 99 3.037 11.376 5.222 1.00 0.00 C ATOM 1436 C LEU A 99 2.281 11.428 3.898 1.00 0.00 C ATOM 1437 O LEU A 99 2.256 12.458 3.225 1.00 0.00 O ATOM 1438 CB LEU A 99 4.199 12.371 5.199 1.00 0.00 C ATOM 1439 CG LEU A 99 3.815 13.851 5.208 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.923 14.164 6.399 1.00 0.00 C ATOM 1441 CD2 LEU A 99 5.060 14.725 5.228 1.00 0.00 C ATOM 0 H LEU A 99 4.401 9.798 5.008 1.00 0.00 H new ATOM 0 HA LEU A 99 2.349 11.648 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.835 12.176 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.799 12.177 4.310 1.00 0.00 H new ATOM 0 HG LEU A 99 3.258 14.067 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.660 15.222 6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.015 13.564 6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.454 13.931 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.767 15.775 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.644 14.506 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.662 14.521 4.342 1.00 0.00 H new ATOM 1453 N VAL A 100 1.665 10.309 3.531 1.00 0.00 N ATOM 1454 CA VAL A 100 0.905 10.227 2.289 1.00 0.00 C ATOM 1455 C VAL A 100 -0.149 11.326 2.216 1.00 0.00 C ATOM 1456 O VAL A 100 -0.287 12.130 3.139 1.00 0.00 O ATOM 1457 CB VAL A 100 0.215 8.858 2.143 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.228 7.732 2.278 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.899 8.711 3.169 1.00 0.00 C ATOM 0 H VAL A 100 1.677 9.447 4.076 1.00 0.00 H new ATOM 0 HA VAL A 100 1.616 10.356 1.473 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.228 8.798 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.722 6.773 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.986 7.830 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.703 7.785 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.376 7.738 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.482 8.792 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.638 9.498 3.019 1.00 0.00 H new ATOM 1469 N CYS A 101 -0.891 11.355 1.114 1.00 0.00 N ATOM 1470 CA CYS A 101 -1.933 12.356 0.920 1.00 0.00 C ATOM 1471 C CYS A 101 -2.765 12.041 -0.319 1.00 0.00 C ATOM 1472 O CYS A 101 -2.262 11.474 -1.289 1.00 0.00 O ATOM 1473 CB CYS A 101 -1.315 13.749 0.794 1.00 0.00 C ATOM 1474 SG CYS A 101 -0.723 14.146 -0.868 1.00 0.00 S ATOM 0 H CYS A 101 -0.790 10.697 0.342 1.00 0.00 H new ATOM 0 HA CYS A 101 -2.589 12.336 1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.055 14.492 1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.483 13.830 1.494 1.00 0.00 H new ATOM 0 HG CYS A 101 -0.940 13.137 -1.659 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.040 12.413 -0.279 1.00 0.00 N ATOM 1481 CA ASP A 102 -4.943 12.170 -1.398 1.00 0.00 C ATOM 1482 C ASP A 102 -4.248 12.449 -2.727 1.00 0.00 C ATOM 1483 O ASP A 102 -3.901 13.590 -3.030 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.194 13.040 -1.270 1.00 0.00 C ATOM 1485 CG ASP A 102 -6.975 12.748 -0.004 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -6.654 13.347 1.043 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -7.909 11.920 -0.062 1.00 0.00 O ATOM 0 H ASP A 102 -4.471 12.884 0.516 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.236 11.120 -1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.905 14.091 -1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.836 12.877 -2.135 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.046 11.398 -3.516 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.392 11.551 -4.803 1.00 0.00 C ATOM 1494 C GLY A 103 -4.381 11.727 -5.938 1.00 0.00 C ATOM 1495 O GLY A 103 -4.225 12.618 -6.774 1.00 0.00 O ATOM 0 H GLY A 103 -4.323 10.444 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.726 12.413 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.771 10.676 -4.998 1.00 0.00 H new