USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 392 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.22) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.71) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.36) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.005 (180deg=-0.0237) USER MOD Single : B 5 LYS NZ :NH3+ -156:sc= -0.0254 (180deg=-0.305) USER MOD Single : B 7 THR OG1 : rot 30:sc= 0.397 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0349 USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -0.393 K(o=-0.39,f=-1.3) USER MOD Single : B 29 TYR OH : rot 180:sc= -0.139 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 19.858 6.420 -19.924 1.00 0.00 N ATOM 70 CA PHE A 6 19.984 6.516 -18.479 1.00 0.00 C ATOM 71 C PHE A 6 19.389 5.286 -17.794 1.00 0.00 C ATOM 72 O PHE A 6 18.189 5.034 -17.891 1.00 0.00 O ATOM 73 CB PHE A 6 19.203 7.757 -18.043 1.00 0.00 C ATOM 74 CG PHE A 6 19.918 8.605 -16.990 1.00 0.00 C ATOM 75 CD1 PHE A 6 19.905 8.220 -15.685 1.00 0.00 C ATOM 76 CD2 PHE A 6 20.567 9.742 -17.357 1.00 0.00 C ATOM 77 CE1 PHE A 6 20.568 9.008 -14.707 1.00 0.00 C ATOM 78 CE2 PHE A 6 21.231 10.528 -16.379 1.00 0.00 C ATOM 79 CZ PHE A 6 21.218 10.145 -15.074 1.00 0.00 C ATOM 0 HA PHE A 6 21.036 6.579 -18.201 1.00 0.00 H new ATOM 0 HB2 PHE A 6 19.005 8.375 -18.919 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.236 7.445 -17.648 1.00 0.00 H new ATOM 0 HD1 PHE A 6 19.391 7.316 -15.393 1.00 0.00 H new ATOM 0 HD2 PHE A 6 20.577 10.047 -18.393 1.00 0.00 H new ATOM 0 HE1 PHE A 6 20.556 8.704 -13.671 1.00 0.00 H new ATOM 0 HE2 PHE A 6 21.747 11.431 -16.671 1.00 0.00 H new ATOM 0 HZ PHE A 6 21.723 10.743 -14.330 1.00 0.00 H new ATOM 88 N THR A 7 20.256 4.549 -17.113 1.00 0.00 N ATOM 89 CA THR A 7 19.831 3.350 -16.411 1.00 0.00 C ATOM 90 C THR A 7 19.951 3.549 -14.897 1.00 0.00 C ATOM 91 O THR A 7 21.047 3.485 -14.344 1.00 0.00 O ATOM 92 CB THR A 7 20.659 2.176 -16.936 1.00 0.00 C ATOM 93 OG1 THR A 7 19.976 1.024 -16.447 1.00 0.00 O ATOM 94 CG2 THR A 7 22.041 2.094 -16.285 1.00 0.00 C ATOM 0 H THR A 7 21.251 4.760 -17.033 1.00 0.00 H new ATOM 0 HA THR A 7 18.779 3.134 -16.598 1.00 0.00 H new ATOM 0 HB THR A 7 20.773 2.267 -18.016 1.00 0.00 H new ATOM 0 HG1 THR A 7 20.445 0.216 -16.743 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.586 1.243 -16.694 1.00 0.00 H new ATOM 0 HG22 THR A 7 22.594 3.011 -16.488 1.00 0.00 H new ATOM 0 HG23 THR A 7 21.929 1.969 -15.208 1.00 0.00 H new ATOM 102 N VAL A 8 18.806 3.785 -14.273 1.00 0.00 N ATOM 103 CA VAL A 8 18.768 3.993 -12.834 1.00 0.00 C ATOM 104 C VAL A 8 17.989 2.852 -12.180 1.00 0.00 C ATOM 105 O VAL A 8 16.760 2.823 -12.234 1.00 0.00 O ATOM 106 CB VAL A 8 18.186 5.373 -12.521 1.00 0.00 C ATOM 107 CG1 VAL A 8 16.716 5.456 -12.939 1.00 0.00 C ATOM 108 CG2 VAL A 8 18.355 5.715 -11.039 1.00 0.00 C ATOM 0 H VAL A 8 17.899 3.837 -14.736 1.00 0.00 H new ATOM 0 HA VAL A 8 19.775 3.978 -12.418 1.00 0.00 H new ATOM 0 HB VAL A 8 18.741 6.111 -13.101 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.327 6.447 -12.705 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.632 5.276 -14.011 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.141 4.704 -12.399 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.933 6.701 -10.843 1.00 0.00 H new ATOM 0 HG22 VAL A 8 17.837 4.972 -10.433 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.415 5.717 -10.785 1.00 0.00 H new ATOM 132 N GLY A 10 16.364 -0.169 -12.213 1.00 0.00 N ATOM 133 CA GLY A 10 15.756 -1.082 -13.165 1.00 0.00 C ATOM 134 C GLY A 10 14.864 -0.329 -14.154 1.00 0.00 C ATOM 135 O GLY A 10 14.085 -0.940 -14.884 1.00 0.00 O ATOM 0 HA2 GLY A 10 16.534 -1.619 -13.708 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.166 -1.828 -12.633 1.00 0.00 H new ATOM 139 N ARG A 11 15.006 0.988 -14.146 1.00 0.00 N ATOM 140 CA ARG A 11 14.223 1.832 -15.033 1.00 0.00 C ATOM 141 C ARG A 11 15.108 2.397 -16.147 1.00 0.00 C ATOM 142 O ARG A 11 15.969 3.238 -15.893 1.00 0.00 O ATOM 143 CB ARG A 11 13.578 2.989 -14.266 1.00 0.00 C ATOM 144 CG ARG A 11 12.546 2.472 -13.263 1.00 0.00 C ATOM 145 CD ARG A 11 13.212 2.079 -11.942 1.00 0.00 C ATOM 146 NE ARG A 11 12.489 0.941 -11.330 1.00 0.00 N ATOM 147 CZ ARG A 11 12.501 0.659 -10.010 1.00 0.00 C ATOM 148 NH1 ARG A 11 13.200 1.432 -9.151 1.00 0.00 N ATOM 149 NH2 ARG A 11 11.819 -0.382 -9.572 1.00 0.00 N ATOM 0 H ARG A 11 15.652 1.492 -13.539 1.00 0.00 H new ATOM 0 HA ARG A 11 13.436 1.216 -15.467 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.347 3.557 -13.742 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.099 3.673 -14.967 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.795 3.240 -13.081 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.026 1.611 -13.682 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.253 1.808 -12.117 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.214 2.929 -11.259 1.00 0.00 H new ATOM 0 HE ARG A 11 11.948 0.332 -11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.724 2.235 -9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.204 1.212 -8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.293 -0.960 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.818 -0.609 -8.578 1.00 0.00 H new ATOM 159 N THR A 12 14.864 1.914 -17.356 1.00 0.00 N ATOM 160 CA THR A 12 15.629 2.360 -18.507 1.00 0.00 C ATOM 161 C THR A 12 14.855 3.434 -19.277 1.00 0.00 C ATOM 162 O THR A 12 13.846 3.138 -19.916 1.00 0.00 O ATOM 163 CB THR A 12 15.966 1.132 -19.354 1.00 0.00 C ATOM 164 OG1 THR A 12 16.767 1.650 -20.414 1.00 0.00 O ATOM 165 CG2 THR A 12 14.741 0.552 -20.063 1.00 0.00 C ATOM 0 H THR A 12 14.147 1.218 -17.563 1.00 0.00 H new ATOM 0 HA THR A 12 16.564 2.831 -18.203 1.00 0.00 H new ATOM 0 HB THR A 12 16.413 0.367 -18.719 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.031 0.919 -21.011 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.038 -0.317 -20.650 1.00 0.00 H new ATOM 0 HG22 THR A 12 13.999 0.254 -19.322 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.312 1.306 -20.723 1.00 0.00 H new ATOM 173 N ALA A 13 15.356 4.656 -19.187 1.00 0.00 N ATOM 174 CA ALA A 13 14.725 5.775 -19.866 1.00 0.00 C ATOM 175 C ALA A 13 15.692 6.347 -20.906 1.00 0.00 C ATOM 176 O ALA A 13 16.887 6.473 -20.643 1.00 0.00 O ATOM 177 CB ALA A 13 14.293 6.820 -18.836 1.00 0.00 C ATOM 0 H ALA A 13 16.192 4.897 -18.654 1.00 0.00 H new ATOM 0 HA ALA A 13 13.829 5.447 -20.394 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.820 7.659 -19.346 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.585 6.373 -18.139 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.166 7.174 -18.288 1.00 0.00 H new ATOM 183 N LEU A 14 15.139 6.677 -22.063 1.00 0.00 N ATOM 184 CA LEU A 14 15.939 7.233 -23.143 1.00 0.00 C ATOM 185 C LEU A 14 15.348 8.577 -23.569 1.00 0.00 C ATOM 186 O LEU A 14 14.137 8.782 -23.487 1.00 0.00 O ATOM 187 CB LEU A 14 16.065 6.226 -24.288 1.00 0.00 C ATOM 188 CG LEU A 14 17.485 5.768 -24.625 1.00 0.00 C ATOM 189 CD1 LEU A 14 17.544 4.249 -24.803 1.00 0.00 C ATOM 190 CD2 LEU A 14 18.024 6.509 -25.849 1.00 0.00 C ATOM 0 H LEU A 14 14.147 6.571 -22.277 1.00 0.00 H new ATOM 0 HA LEU A 14 16.957 7.425 -22.804 1.00 0.00 H new ATOM 0 HB2 LEU A 14 15.470 5.347 -24.039 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.625 6.666 -25.183 1.00 0.00 H new ATOM 0 HG LEU A 14 18.133 6.019 -23.785 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.565 3.950 -25.042 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.230 3.762 -23.880 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.880 3.952 -25.614 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.035 6.165 -26.067 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.381 6.311 -26.706 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.041 7.580 -25.648 1.00 0.00 H new ATOM 201 N ASN A 15 16.229 9.460 -24.014 1.00 0.00 N ATOM 202 CA ASN A 15 15.810 10.780 -24.454 1.00 0.00 C ATOM 203 C ASN A 15 15.659 10.782 -25.977 1.00 0.00 C ATOM 204 O ASN A 15 16.643 10.635 -26.702 1.00 0.00 O ATOM 205 CB ASN A 15 16.847 11.841 -24.080 1.00 0.00 C ATOM 206 CG ASN A 15 16.249 13.246 -24.163 1.00 0.00 C ATOM 207 OD1 ASN A 15 15.202 13.539 -23.608 1.00 0.00 O ATOM 208 ND2 ASN A 15 16.969 14.098 -24.888 1.00 0.00 N ATOM 0 H ASN A 15 17.232 9.287 -24.080 1.00 0.00 H new ATOM 0 HA ASN A 15 14.864 11.013 -23.965 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.213 11.657 -23.070 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.705 11.767 -24.748 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.653 15.061 -25.006 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.837 13.788 -25.326 1.00 0.00 H new ATOM 214 N THR A 16 14.422 10.950 -26.417 1.00 0.00 N ATOM 215 CA THR A 16 14.129 10.975 -27.840 1.00 0.00 C ATOM 216 C THR A 16 13.760 12.390 -28.286 1.00 0.00 C ATOM 217 O THR A 16 12.588 12.762 -28.278 1.00 0.00 O ATOM 218 CB THR A 16 13.032 9.945 -28.114 1.00 0.00 C ATOM 219 OG1 THR A 16 13.679 8.690 -27.932 1.00 0.00 O ATOM 220 CG2 THR A 16 12.597 9.930 -29.582 1.00 0.00 C ATOM 0 H THR A 16 13.609 11.070 -25.813 1.00 0.00 H new ATOM 0 HA THR A 16 15.005 10.703 -28.429 1.00 0.00 H new ATOM 0 HB THR A 16 12.170 10.157 -27.481 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.038 7.966 -28.089 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.817 9.182 -29.723 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.212 10.912 -29.857 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.452 9.686 -30.212 1.00 0.00 H new ATOM 242 N ALA A 18 13.033 15.665 -27.694 1.00 0.00 N ATOM 243 CA ALA A 18 12.611 16.525 -26.599 1.00 0.00 C ATOM 244 C ALA A 18 11.536 15.808 -25.781 1.00 0.00 C ATOM 245 O ALA A 18 10.854 16.429 -24.966 1.00 0.00 O ATOM 246 CB ALA A 18 12.123 17.862 -27.161 1.00 0.00 C ATOM 0 HA ALA A 18 13.446 16.737 -25.931 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.806 18.507 -26.342 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.932 18.343 -27.710 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.282 17.689 -27.832 1.00 0.00 H new ATOM 252 N VAL A 19 11.418 14.511 -26.024 1.00 0.00 N ATOM 253 CA VAL A 19 10.437 13.704 -25.318 1.00 0.00 C ATOM 254 C VAL A 19 11.159 12.631 -24.501 1.00 0.00 C ATOM 255 O VAL A 19 12.049 11.952 -25.008 1.00 0.00 O ATOM 256 CB VAL A 19 9.429 13.121 -26.310 1.00 0.00 C ATOM 257 CG1 VAL A 19 8.448 12.182 -25.605 1.00 0.00 C ATOM 258 CG2 VAL A 19 8.685 14.232 -27.053 1.00 0.00 C ATOM 0 H VAL A 19 11.985 13.999 -26.700 1.00 0.00 H new ATOM 0 HA VAL A 19 9.869 14.318 -24.619 1.00 0.00 H new ATOM 0 HB VAL A 19 9.982 12.538 -27.046 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.742 11.781 -26.332 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.998 11.362 -25.142 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.905 12.733 -24.837 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.975 13.790 -27.752 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.149 14.854 -26.336 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.400 14.845 -27.602 1.00 0.00 H new ATOM 268 N GLN A 20 10.749 12.513 -23.246 1.00 0.00 N ATOM 269 CA GLN A 20 11.345 11.534 -22.352 1.00 0.00 C ATOM 270 C GLN A 20 10.493 10.264 -22.312 1.00 0.00 C ATOM 271 O GLN A 20 9.341 10.298 -21.886 1.00 0.00 O ATOM 272 CB GLN A 20 11.532 12.115 -20.949 1.00 0.00 C ATOM 273 CG GLN A 20 12.620 13.191 -20.941 1.00 0.00 C ATOM 274 CD GLN A 20 12.078 14.514 -20.395 1.00 0.00 C ATOM 275 OE1 GLN A 20 11.198 14.554 -19.551 1.00 0.00 O ATOM 276 NE2 GLN A 20 12.652 15.591 -20.922 1.00 0.00 N ATOM 0 H GLN A 20 10.011 13.079 -22.827 1.00 0.00 H new ATOM 0 HA GLN A 20 12.332 11.273 -22.735 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.592 12.541 -20.600 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.798 11.318 -20.254 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.461 12.859 -20.332 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.998 13.338 -21.953 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.384 15.487 -21.625 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.361 16.522 -20.623 1.00 0.00 H new ATOM 283 N LYS A 21 11.096 9.172 -22.760 1.00 0.00 N ATOM 284 CA LYS A 21 10.407 7.893 -22.781 1.00 0.00 C ATOM 285 C LYS A 21 10.967 6.999 -21.672 1.00 0.00 C ATOM 286 O LYS A 21 12.173 6.769 -21.606 1.00 0.00 O ATOM 287 CB LYS A 21 10.483 7.265 -24.174 1.00 0.00 C ATOM 288 CG LYS A 21 9.602 6.018 -24.262 1.00 0.00 C ATOM 289 CD LYS A 21 10.437 4.778 -24.589 1.00 0.00 C ATOM 290 CE LYS A 21 10.483 4.529 -26.097 1.00 0.00 C ATOM 291 NZ LYS A 21 9.511 3.479 -26.480 1.00 0.00 N ATOM 0 H LYS A 21 12.053 9.147 -23.111 1.00 0.00 H new ATOM 0 HA LYS A 21 9.345 8.029 -22.576 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.166 7.992 -24.922 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.516 7.002 -24.402 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.080 5.870 -23.317 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.840 6.160 -25.028 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.450 4.906 -24.207 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.015 3.908 -24.086 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.259 5.452 -26.631 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.488 4.227 -26.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.556 3.323 -27.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.743 2.594 -25.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.551 3.782 -26.217 1.00 0.00 H new ATOM 300 N TRP A 22 10.064 6.521 -20.829 1.00 0.00 N ATOM 301 CA TRP A 22 10.453 5.659 -19.727 1.00 0.00 C ATOM 302 C TRP A 22 9.884 4.264 -19.994 1.00 0.00 C ATOM 303 O TRP A 22 8.682 4.110 -20.209 1.00 0.00 O ATOM 304 CB TRP A 22 9.999 6.242 -18.388 1.00 0.00 C ATOM 305 CG TRP A 22 11.040 7.139 -17.715 1.00 0.00 C ATOM 306 CD1 TRP A 22 11.536 8.303 -18.158 1.00 0.00 C ATOM 307 CD2 TRP A 22 11.697 6.897 -16.453 1.00 0.00 C ATOM 308 NE1 TRP A 22 12.462 8.826 -17.277 1.00 0.00 N ATOM 309 CE2 TRP A 22 12.561 7.944 -16.207 1.00 0.00 C ATOM 310 CE3 TRP A 22 11.564 5.829 -15.548 1.00 0.00 C ATOM 311 CZ2 TRP A 22 13.361 8.027 -15.061 1.00 0.00 C ATOM 312 CZ3 TRP A 22 12.370 5.926 -14.408 1.00 0.00 C ATOM 313 CH2 TRP A 22 13.245 6.973 -14.145 1.00 0.00 C ATOM 0 H TRP A 22 9.064 6.714 -20.887 1.00 0.00 H new ATOM 0 HA TRP A 22 11.538 5.586 -19.660 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.086 6.817 -18.544 1.00 0.00 H new ATOM 0 HB3 TRP A 22 9.749 5.423 -17.713 1.00 0.00 H new ATOM 0 HD1 TRP A 22 11.248 8.773 -19.087 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.978 9.698 -17.390 1.00 0.00 H new ATOM 0 HE3 TRP A 22 10.893 5.000 -15.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 14.031 8.857 -14.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 12.307 5.130 -13.681 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.833 6.974 -13.239 1.00 0.00 H new ATOM 323 N HIS A 23 10.773 3.282 -19.974 1.00 0.00 N ATOM 324 CA HIS A 23 10.374 1.904 -20.212 1.00 0.00 C ATOM 325 C HIS A 23 10.682 1.061 -18.974 1.00 0.00 C ATOM 326 O HIS A 23 11.720 1.237 -18.339 1.00 0.00 O ATOM 327 CB HIS A 23 11.033 1.360 -21.480 1.00 0.00 C ATOM 328 CG HIS A 23 10.270 0.232 -22.133 1.00 0.00 C ATOM 329 ND1 HIS A 23 9.277 0.443 -23.073 1.00 0.00 N ATOM 330 CD2 HIS A 23 10.367 -1.119 -21.971 1.00 0.00 C ATOM 331 CE1 HIS A 23 8.802 -0.734 -23.451 1.00 0.00 C ATOM 332 NE2 HIS A 23 9.479 -1.702 -22.768 1.00 0.00 N ATOM 0 H HIS A 23 11.769 3.413 -19.797 1.00 0.00 H new ATOM 0 HA HIS A 23 9.299 1.856 -20.383 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.144 2.173 -22.197 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.037 1.012 -21.235 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.050 -1.628 -21.307 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.016 -0.899 -24.173 1.00 0.00 H new ATOM 0 HE2 HIS A 23 9.328 -2.707 -22.855 1.00 0.00 H new ATOM 339 N PHE A 24 9.760 0.160 -18.667 1.00 0.00 N ATOM 340 CA PHE A 24 9.918 -0.713 -17.516 1.00 0.00 C ATOM 341 C PHE A 24 9.762 -2.181 -17.916 1.00 0.00 C ATOM 342 O PHE A 24 8.712 -2.582 -18.418 1.00 0.00 O ATOM 343 CB PHE A 24 8.817 -0.346 -16.521 1.00 0.00 C ATOM 344 CG PHE A 24 8.926 1.076 -15.967 1.00 0.00 C ATOM 345 CD1 PHE A 24 8.558 2.136 -16.737 1.00 0.00 C ATOM 346 CD2 PHE A 24 9.393 1.281 -14.706 1.00 0.00 C ATOM 347 CE1 PHE A 24 8.660 3.456 -16.222 1.00 0.00 C ATOM 348 CE2 PHE A 24 9.494 2.601 -14.192 1.00 0.00 C ATOM 349 CZ PHE A 24 9.127 3.660 -14.961 1.00 0.00 C ATOM 0 H PHE A 24 8.900 0.016 -19.196 1.00 0.00 H new ATOM 0 HA PHE A 24 10.912 -0.586 -17.086 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.849 -0.462 -17.008 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.843 -1.051 -15.690 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.189 1.974 -17.739 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.687 0.440 -14.096 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.367 4.298 -16.832 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.862 2.763 -13.190 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.206 4.664 -14.571 1.00 0.00 H new ATOM 358 N VAL A 25 10.818 -2.943 -17.677 1.00 0.00 N ATOM 359 CA VAL A 25 10.811 -4.359 -18.006 1.00 0.00 C ATOM 360 C VAL A 25 11.189 -5.168 -16.764 1.00 0.00 C ATOM 361 O VAL A 25 12.319 -5.084 -16.285 1.00 0.00 O ATOM 362 CB VAL A 25 11.733 -4.624 -19.198 1.00 0.00 C ATOM 363 CG1 VAL A 25 13.203 -4.572 -18.775 1.00 0.00 C ATOM 364 CG2 VAL A 25 11.400 -5.963 -19.861 1.00 0.00 C ATOM 0 H VAL A 25 11.686 -2.607 -17.259 1.00 0.00 H new ATOM 0 HA VAL A 25 9.813 -4.677 -18.309 1.00 0.00 H new ATOM 0 HB VAL A 25 11.567 -3.836 -19.933 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.838 -4.764 -19.640 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.430 -3.586 -18.369 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.389 -5.329 -18.014 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.070 -6.127 -20.705 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.524 -6.768 -19.137 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.369 -5.948 -20.213 1.00 0.00 H new ATOM 374 N LEU A 26 10.223 -5.934 -16.280 1.00 0.00 N ATOM 375 CA LEU A 26 10.442 -6.759 -15.102 1.00 0.00 C ATOM 376 C LEU A 26 9.762 -8.115 -15.302 1.00 0.00 C ATOM 377 O LEU A 26 8.766 -8.416 -14.645 1.00 0.00 O ATOM 378 CB LEU A 26 9.987 -6.022 -13.841 1.00 0.00 C ATOM 379 CG LEU A 26 10.795 -6.303 -12.572 1.00 0.00 C ATOM 380 CD1 LEU A 26 11.135 -5.005 -11.840 1.00 0.00 C ATOM 381 CD2 LEU A 26 10.063 -7.297 -11.667 1.00 0.00 C ATOM 0 H LEU A 26 9.287 -6.002 -16.681 1.00 0.00 H new ATOM 0 HA LEU A 26 11.506 -6.953 -14.964 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.019 -4.951 -14.039 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.945 -6.280 -13.649 1.00 0.00 H new ATOM 0 HG LEU A 26 11.739 -6.765 -12.862 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.709 -5.233 -10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.724 -4.362 -12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.214 -4.493 -11.561 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.658 -7.480 -10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.095 -6.885 -11.382 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.914 -8.235 -12.202 1.00 0.00 H new ATOM 406 N GLY A 28 7.411 -10.483 -16.732 1.00 0.00 N ATOM 407 CA GLY A 28 6.122 -10.434 -17.400 1.00 0.00 C ATOM 408 C GLY A 28 5.469 -9.060 -17.229 1.00 0.00 C ATOM 409 O GLY A 28 4.445 -8.774 -17.849 1.00 0.00 O ATOM 0 HA2 GLY A 28 6.249 -10.651 -18.461 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.468 -11.205 -16.993 1.00 0.00 H new ATOM 413 N TYR A 29 6.087 -8.248 -16.385 1.00 0.00 N ATOM 414 CA TYR A 29 5.577 -6.912 -16.124 1.00 0.00 C ATOM 415 C TYR A 29 6.334 -5.866 -16.947 1.00 0.00 C ATOM 416 O TYR A 29 7.387 -5.388 -16.531 1.00 0.00 O ATOM 417 CB TYR A 29 5.823 -6.648 -14.638 1.00 0.00 C ATOM 418 CG TYR A 29 4.615 -6.939 -13.746 1.00 0.00 C ATOM 419 CD1 TYR A 29 4.137 -8.229 -13.629 1.00 0.00 C ATOM 420 CD2 TYR A 29 4.002 -5.912 -13.058 1.00 0.00 C ATOM 421 CE1 TYR A 29 2.999 -8.502 -12.789 1.00 0.00 C ATOM 422 CE2 TYR A 29 2.865 -6.185 -12.218 1.00 0.00 C ATOM 423 CZ TYR A 29 2.420 -7.466 -12.126 1.00 0.00 C ATOM 424 OH TYR A 29 1.344 -7.724 -11.333 1.00 0.00 O ATOM 0 H TYR A 29 6.936 -8.489 -15.873 1.00 0.00 H new ATOM 0 HA TYR A 29 4.522 -6.846 -16.391 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.663 -7.258 -14.305 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.115 -5.606 -14.508 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.616 -9.033 -14.167 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.375 -4.903 -13.150 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.615 -9.506 -12.688 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.377 -5.390 -11.674 1.00 0.00 H new ATOM 0 HH TYR A 29 1.034 -6.891 -10.921 1.00 0.00 H new ATOM 433 N LYS A 30 5.766 -5.543 -18.100 1.00 0.00 N ATOM 434 CA LYS A 30 6.374 -4.564 -18.985 1.00 0.00 C ATOM 435 C LYS A 30 5.469 -3.332 -19.073 1.00 0.00 C ATOM 436 O LYS A 30 4.452 -3.353 -19.765 1.00 0.00 O ATOM 437 CB LYS A 30 6.690 -5.193 -20.343 1.00 0.00 C ATOM 438 CG LYS A 30 7.475 -4.221 -21.228 1.00 0.00 C ATOM 439 CD LYS A 30 6.631 -3.762 -22.419 1.00 0.00 C ATOM 440 CE LYS A 30 6.559 -4.850 -23.492 1.00 0.00 C ATOM 441 NZ LYS A 30 5.172 -5.346 -23.635 1.00 0.00 N ATOM 0 H LYS A 30 4.892 -5.942 -18.441 1.00 0.00 H new ATOM 0 HA LYS A 30 7.331 -4.230 -18.584 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.267 -6.107 -20.199 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.763 -5.476 -20.841 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.783 -3.356 -20.641 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.385 -4.703 -21.586 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.625 -3.512 -22.082 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.059 -2.854 -22.844 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.910 -4.453 -24.445 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.221 -5.675 -23.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.187 -6.321 -23.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.700 -5.329 -22.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.652 -4.737 -24.299 1.00 0.00 H new ATOM 450 N CYS A 31 5.874 -2.289 -18.362 1.00 0.00 N ATOM 451 CA CYS A 31 5.113 -1.052 -18.352 1.00 0.00 C ATOM 452 C CYS A 31 5.862 -0.021 -19.198 1.00 0.00 C ATOM 453 O CYS A 31 7.060 0.185 -19.016 1.00 0.00 O ATOM 454 CB CYS A 31 4.869 -0.551 -16.926 1.00 0.00 C ATOM 455 SG CYS A 31 4.134 1.122 -16.817 1.00 0.00 S ATOM 0 H CYS A 31 6.718 -2.276 -17.790 1.00 0.00 H new ATOM 0 HA CYS A 31 4.126 -1.225 -18.781 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.212 -1.255 -16.416 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.817 -0.552 -16.388 1.00 0.00 H new ATOM 459 N GLU A 32 5.123 0.601 -20.107 1.00 0.00 N ATOM 460 CA GLU A 32 5.703 1.605 -20.981 1.00 0.00 C ATOM 461 C GLU A 32 4.933 2.922 -20.861 1.00 0.00 C ATOM 462 O GLU A 32 3.704 2.934 -20.922 1.00 0.00 O ATOM 463 CB GLU A 32 5.731 1.118 -22.432 1.00 0.00 C ATOM 464 CG GLU A 32 4.337 0.692 -22.895 1.00 0.00 C ATOM 465 CD GLU A 32 3.894 1.498 -24.118 1.00 0.00 C ATOM 466 OE1 GLU A 32 4.697 1.722 -25.036 1.00 0.00 O ATOM 467 OE2 GLU A 32 2.668 1.898 -24.093 1.00 0.00 O ATOM 0 H GLU A 32 4.129 0.428 -20.256 1.00 0.00 H new ATOM 0 HA GLU A 32 6.733 1.779 -20.669 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.106 1.912 -23.078 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.421 0.279 -22.524 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.340 -0.371 -23.137 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.622 0.832 -22.084 1.00 0.00 H new ATOM 473 N ILE A 33 5.687 3.998 -20.690 1.00 0.00 N ATOM 474 CA ILE A 33 5.091 5.316 -20.559 1.00 0.00 C ATOM 475 C ILE A 33 5.703 6.254 -21.602 1.00 0.00 C ATOM 476 O ILE A 33 6.900 6.185 -21.876 1.00 0.00 O ATOM 477 CB ILE A 33 5.224 5.825 -19.123 1.00 0.00 C ATOM 478 CG1 ILE A 33 6.681 6.153 -18.790 1.00 0.00 C ATOM 479 CG2 ILE A 33 4.620 4.829 -18.131 1.00 0.00 C ATOM 480 CD1 ILE A 33 6.779 6.953 -17.489 1.00 0.00 C ATOM 0 H ILE A 33 6.706 3.984 -20.639 1.00 0.00 H new ATOM 0 HA ILE A 33 4.020 5.270 -20.759 1.00 0.00 H new ATOM 0 HB ILE A 33 4.657 6.752 -19.035 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.253 5.230 -18.698 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.125 6.723 -19.606 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.728 5.215 -17.117 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.563 4.688 -18.355 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.139 3.874 -18.213 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.825 7.173 -17.275 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.226 7.886 -17.593 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.356 6.370 -16.671 1.00 0.00 H new ATOM 491 N LEU A 34 4.853 7.107 -22.155 1.00 0.00 N ATOM 492 CA LEU A 34 5.296 8.056 -23.163 1.00 0.00 C ATOM 493 C LEU A 34 5.110 9.479 -22.632 1.00 0.00 C ATOM 494 O LEU A 34 3.991 9.990 -22.591 1.00 0.00 O ATOM 495 CB LEU A 34 4.587 7.798 -24.492 1.00 0.00 C ATOM 496 CG LEU A 34 5.441 7.182 -25.601 1.00 0.00 C ATOM 497 CD1 LEU A 34 6.573 8.126 -26.009 1.00 0.00 C ATOM 498 CD2 LEU A 34 5.964 5.803 -25.188 1.00 0.00 C ATOM 0 H LEU A 34 3.861 7.161 -21.925 1.00 0.00 H new ATOM 0 HA LEU A 34 6.359 7.927 -23.367 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.739 7.139 -24.306 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.183 8.743 -24.855 1.00 0.00 H new ATOM 0 HG LEU A 34 4.811 7.038 -26.478 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.165 7.664 -26.799 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.152 9.063 -26.372 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.210 8.324 -25.147 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.568 5.387 -25.994 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.574 5.899 -24.290 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.123 5.140 -24.986 1.00 0.00 H new ATOM 509 N ALA A 35 6.223 10.081 -22.240 1.00 0.00 N ATOM 510 CA ALA A 35 6.196 11.435 -21.714 1.00 0.00 C ATOM 511 C ALA A 35 7.094 12.330 -22.571 1.00 0.00 C ATOM 512 O ALA A 35 8.173 12.732 -22.138 1.00 0.00 O ATOM 513 CB ALA A 35 6.621 11.421 -20.244 1.00 0.00 C ATOM 0 H ALA A 35 7.149 9.656 -22.276 1.00 0.00 H new ATOM 0 HA ALA A 35 5.186 11.842 -21.758 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.601 12.437 -19.850 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.934 10.796 -19.673 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.631 11.020 -20.161 1.00 0.00 H new ATOM 571 N LYS B 5 -14.287 -10.257 -18.418 1.00 0.00 N ATOM 572 CA LYS B 5 -13.333 -9.225 -18.046 1.00 0.00 C ATOM 573 C LYS B 5 -13.741 -8.621 -16.700 1.00 0.00 C ATOM 574 O LYS B 5 -14.916 -8.342 -16.472 1.00 0.00 O ATOM 575 CB LYS B 5 -13.196 -8.193 -19.167 1.00 0.00 C ATOM 576 CG LYS B 5 -14.547 -7.551 -19.490 1.00 0.00 C ATOM 577 CD LYS B 5 -14.408 -6.038 -19.672 1.00 0.00 C ATOM 578 CE LYS B 5 -15.446 -5.508 -20.662 1.00 0.00 C ATOM 579 NZ LYS B 5 -15.122 -5.943 -22.039 1.00 0.00 N ATOM 0 HA LYS B 5 -12.339 -9.654 -17.916 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -12.484 -7.422 -18.871 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -12.794 -8.672 -20.060 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -14.956 -7.994 -20.398 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -15.254 -7.761 -18.687 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -14.530 -5.540 -18.710 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -13.406 -5.802 -20.029 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -16.437 -5.867 -20.385 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -15.477 -4.419 -20.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -15.551 -5.285 -22.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -14.090 -5.950 -22.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -15.497 -6.900 -22.198 1.00 0.00 H new ATOM 588 N PHE B 6 -12.746 -8.436 -15.846 1.00 0.00 N ATOM 589 CA PHE B 6 -12.986 -7.872 -14.529 1.00 0.00 C ATOM 590 C PHE B 6 -12.229 -6.553 -14.351 1.00 0.00 C ATOM 591 O PHE B 6 -11.261 -6.290 -15.063 1.00 0.00 O ATOM 592 CB PHE B 6 -12.467 -8.885 -13.506 1.00 0.00 C ATOM 593 CG PHE B 6 -13.422 -9.130 -12.335 1.00 0.00 C ATOM 594 CD1 PHE B 6 -14.625 -9.723 -12.551 1.00 0.00 C ATOM 595 CD2 PHE B 6 -13.064 -8.755 -11.077 1.00 0.00 C ATOM 596 CE1 PHE B 6 -15.510 -9.952 -11.465 1.00 0.00 C ATOM 597 CE2 PHE B 6 -13.950 -8.982 -9.990 1.00 0.00 C ATOM 598 CZ PHE B 6 -15.154 -9.576 -10.208 1.00 0.00 C ATOM 0 H PHE B 6 -11.772 -8.667 -16.040 1.00 0.00 H new ATOM 0 HA PHE B 6 -14.049 -7.671 -14.399 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -12.277 -9.832 -14.011 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -11.511 -8.535 -13.115 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -14.908 -10.020 -13.550 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -12.107 -8.285 -10.905 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -16.466 -10.425 -11.637 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -13.668 -8.683 -8.991 1.00 0.00 H new ATOM 0 HZ PHE B 6 -15.828 -9.749 -9.382 1.00 0.00 H new ATOM 607 N THR B 7 -12.701 -5.761 -13.399 1.00 0.00 N ATOM 608 CA THR B 7 -12.080 -4.477 -13.120 1.00 0.00 C ATOM 609 C THR B 7 -11.599 -4.422 -11.669 1.00 0.00 C ATOM 610 O THR B 7 -12.383 -4.624 -10.744 1.00 0.00 O ATOM 611 CB THR B 7 -13.088 -3.380 -13.468 1.00 0.00 C ATOM 612 OG1 THR B 7 -14.214 -3.667 -12.642 1.00 0.00 O ATOM 613 CG2 THR B 7 -13.630 -3.513 -14.893 1.00 0.00 C ATOM 0 H THR B 7 -13.505 -5.983 -12.812 1.00 0.00 H new ATOM 0 HA THR B 7 -11.190 -4.326 -13.730 1.00 0.00 H new ATOM 0 HB THR B 7 -12.617 -2.404 -13.347 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.913 -4.104 -11.818 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.341 -2.710 -15.088 1.00 0.00 H new ATOM 0 HG22 THR B 7 -12.806 -3.449 -15.603 1.00 0.00 H new ATOM 0 HG23 THR B 7 -14.130 -4.475 -15.004 1.00 0.00 H new ATOM 621 N VAL B 8 -10.312 -4.147 -11.517 1.00 0.00 N ATOM 622 CA VAL B 8 -9.716 -4.063 -10.194 1.00 0.00 C ATOM 623 C VAL B 8 -8.898 -2.776 -10.089 1.00 0.00 C ATOM 624 O VAL B 8 -7.808 -2.680 -10.652 1.00 0.00 O ATOM 625 CB VAL B 8 -8.892 -5.321 -9.910 1.00 0.00 C ATOM 626 CG1 VAL B 8 -9.772 -6.572 -9.939 1.00 0.00 C ATOM 627 CG2 VAL B 8 -7.728 -5.447 -10.894 1.00 0.00 C ATOM 0 H VAL B 8 -9.665 -3.979 -12.288 1.00 0.00 H new ATOM 0 HA VAL B 8 -10.490 -4.019 -9.428 1.00 0.00 H new ATOM 0 HB VAL B 8 -8.475 -5.229 -8.907 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -9.161 -7.451 -9.734 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -10.551 -6.487 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -10.232 -6.671 -10.922 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -7.158 -6.349 -10.670 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.116 -5.506 -11.911 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.079 -4.576 -10.803 1.00 0.00 H new ATOM 651 N GLY B 10 -7.802 0.356 -11.172 1.00 0.00 N ATOM 652 CA GLY B 10 -7.747 1.125 -12.405 1.00 0.00 C ATOM 653 C GLY B 10 -7.199 0.279 -13.556 1.00 0.00 C ATOM 654 O GLY B 10 -6.903 0.801 -14.628 1.00 0.00 O ATOM 0 HA2 GLY B 10 -8.744 1.486 -12.657 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -7.117 2.003 -12.262 1.00 0.00 H new ATOM 658 N ARG B 11 -7.082 -1.015 -13.293 1.00 0.00 N ATOM 659 CA ARG B 11 -6.576 -1.938 -14.293 1.00 0.00 C ATOM 660 C ARG B 11 -7.615 -3.021 -14.591 1.00 0.00 C ATOM 661 O ARG B 11 -8.294 -3.500 -13.683 1.00 0.00 O ATOM 662 CB ARG B 11 -5.278 -2.601 -13.825 1.00 0.00 C ATOM 663 CG ARG B 11 -5.490 -3.350 -12.508 1.00 0.00 C ATOM 664 CD ARG B 11 -5.110 -2.475 -11.312 1.00 0.00 C ATOM 665 NE ARG B 11 -4.914 -3.316 -10.111 1.00 0.00 N ATOM 666 CZ ARG B 11 -4.636 -2.829 -8.883 1.00 0.00 C ATOM 667 NH1 ARG B 11 -4.518 -1.499 -8.683 1.00 0.00 N ATOM 668 NH2 ARG B 11 -4.480 -3.673 -7.880 1.00 0.00 N ATOM 0 H ARG B 11 -7.329 -1.445 -12.402 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.373 -1.366 -15.198 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -4.923 -3.293 -14.588 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -4.504 -1.844 -13.697 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -6.533 -3.655 -12.423 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.890 -4.260 -12.502 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -4.197 -1.922 -11.531 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.892 -1.739 -11.127 1.00 0.00 H new ATOM 0 HE ARG B 11 -4.994 -4.327 -10.217 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -4.639 -0.853 -9.463 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -4.308 -1.140 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -4.570 -4.676 -8.039 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -4.270 -3.322 -6.946 1.00 0.00 H new ATOM 678 N THR B 12 -7.705 -3.377 -15.863 1.00 0.00 N ATOM 679 CA THR B 12 -8.650 -4.395 -16.291 1.00 0.00 C ATOM 680 C THR B 12 -7.917 -5.692 -16.636 1.00 0.00 C ATOM 681 O THR B 12 -7.068 -5.713 -17.526 1.00 0.00 O ATOM 682 CB THR B 12 -9.461 -3.827 -17.458 1.00 0.00 C ATOM 683 OG1 THR B 12 -10.398 -2.952 -16.835 1.00 0.00 O ATOM 684 CG2 THR B 12 -10.334 -4.886 -18.135 1.00 0.00 C ATOM 0 H THR B 12 -7.139 -2.979 -16.612 1.00 0.00 H new ATOM 0 HA THR B 12 -9.343 -4.653 -15.490 1.00 0.00 H new ATOM 0 HB THR B 12 -8.784 -3.391 -18.193 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.964 -2.538 -17.519 1.00 0.00 H new ATOM 0 HG21 THR B 12 -10.888 -4.430 -18.956 1.00 0.00 H new ATOM 0 HG22 THR B 12 -9.702 -5.685 -18.523 1.00 0.00 H new ATOM 0 HG23 THR B 12 -11.035 -5.298 -17.409 1.00 0.00 H new ATOM 692 N ALA B 13 -8.271 -6.745 -15.914 1.00 0.00 N ATOM 693 CA ALA B 13 -7.657 -8.042 -16.131 1.00 0.00 C ATOM 694 C ALA B 13 -8.664 -8.971 -16.813 1.00 0.00 C ATOM 695 O ALA B 13 -9.772 -9.164 -16.314 1.00 0.00 O ATOM 696 CB ALA B 13 -7.158 -8.603 -14.798 1.00 0.00 C ATOM 0 H ALA B 13 -8.976 -6.725 -15.177 1.00 0.00 H new ATOM 0 HA ALA B 13 -6.793 -7.950 -16.789 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -6.697 -9.577 -14.963 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -6.423 -7.922 -14.369 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -7.998 -8.710 -14.111 1.00 0.00 H new ATOM 702 N LEU B 14 -8.244 -9.520 -17.943 1.00 0.00 N ATOM 703 CA LEU B 14 -9.097 -10.423 -18.698 1.00 0.00 C ATOM 704 C LEU B 14 -8.393 -11.774 -18.850 1.00 0.00 C ATOM 705 O LEU B 14 -7.165 -11.842 -18.837 1.00 0.00 O ATOM 706 CB LEU B 14 -9.504 -9.788 -20.029 1.00 0.00 C ATOM 707 CG LEU B 14 -10.320 -10.674 -20.973 1.00 0.00 C ATOM 708 CD1 LEU B 14 -11.331 -9.843 -21.766 1.00 0.00 C ATOM 709 CD2 LEU B 14 -9.404 -11.489 -21.888 1.00 0.00 C ATOM 0 H LEU B 14 -7.325 -9.357 -18.354 1.00 0.00 H new ATOM 0 HA LEU B 14 -10.028 -10.606 -18.161 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -10.081 -8.888 -19.818 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -8.600 -9.472 -20.550 1.00 0.00 H new ATOM 0 HG LEU B 14 -10.888 -11.384 -20.371 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -11.898 -10.496 -22.429 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -12.013 -9.345 -21.077 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -10.803 -9.095 -22.358 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -10.009 -12.110 -22.549 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -8.792 -10.813 -22.485 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -8.758 -12.125 -21.283 1.00 0.00 H new ATOM 720 N ASN B 15 -9.203 -12.813 -18.990 1.00 0.00 N ATOM 721 CA ASN B 15 -8.673 -14.157 -19.145 1.00 0.00 C ATOM 722 C ASN B 15 -8.713 -14.550 -20.624 1.00 0.00 C ATOM 723 O ASN B 15 -9.789 -14.680 -21.205 1.00 0.00 O ATOM 724 CB ASN B 15 -9.509 -15.173 -18.364 1.00 0.00 C ATOM 725 CG ASN B 15 -8.885 -15.458 -16.997 1.00 0.00 C ATOM 726 OD1 ASN B 15 -8.367 -16.532 -16.733 1.00 0.00 O ATOM 727 ND2 ASN B 15 -8.966 -14.443 -16.141 1.00 0.00 N ATOM 0 H ASN B 15 -10.221 -12.752 -18.999 1.00 0.00 H new ATOM 0 HA ASN B 15 -7.652 -14.162 -18.765 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -10.522 -14.793 -18.234 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -9.587 -16.100 -18.933 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -8.582 -14.537 -15.201 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -9.412 -13.571 -16.425 1.00 0.00 H new ATOM 733 N THR B 16 -7.529 -14.729 -21.189 1.00 0.00 N ATOM 734 CA THR B 16 -7.416 -15.104 -22.588 1.00 0.00 C ATOM 735 C THR B 16 -6.980 -16.565 -22.714 1.00 0.00 C ATOM 736 O THR B 16 -5.787 -16.863 -22.729 1.00 0.00 O ATOM 737 CB THR B 16 -6.456 -14.123 -23.264 1.00 0.00 C ATOM 738 OG1 THR B 16 -7.238 -12.947 -23.456 1.00 0.00 O ATOM 739 CG2 THR B 16 -6.079 -14.556 -24.683 1.00 0.00 C ATOM 0 H THR B 16 -6.639 -14.621 -20.703 1.00 0.00 H new ATOM 0 HA THR B 16 -8.379 -15.040 -23.094 1.00 0.00 H new ATOM 0 HB THR B 16 -5.553 -14.027 -22.662 1.00 0.00 H new ATOM 0 HG1 THR B 16 -6.692 -12.258 -23.888 1.00 0.00 H new ATOM 0 HG21 THR B 16 -5.396 -13.825 -25.117 1.00 0.00 H new ATOM 0 HG22 THR B 16 -5.593 -15.531 -24.649 1.00 0.00 H new ATOM 0 HG23 THR B 16 -6.979 -14.620 -25.295 1.00 0.00 H new ATOM 761 N ALA B 18 -5.973 -19.533 -21.418 1.00 0.00 N ATOM 762 CA ALA B 18 -5.404 -20.073 -20.196 1.00 0.00 C ATOM 763 C ALA B 18 -4.289 -19.148 -19.705 1.00 0.00 C ATOM 764 O ALA B 18 -3.482 -19.535 -18.861 1.00 0.00 O ATOM 765 CB ALA B 18 -4.909 -21.499 -20.448 1.00 0.00 C ATOM 0 HA ALA B 18 -6.160 -20.124 -19.412 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -4.482 -21.903 -19.530 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -5.744 -22.123 -20.766 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -4.148 -21.487 -21.228 1.00 0.00 H new ATOM 771 N VAL B 19 -4.279 -17.942 -20.253 1.00 0.00 N ATOM 772 CA VAL B 19 -3.277 -16.958 -19.882 1.00 0.00 C ATOM 773 C VAL B 19 -3.958 -15.783 -19.175 1.00 0.00 C ATOM 774 O VAL B 19 -5.159 -15.574 -19.332 1.00 0.00 O ATOM 775 CB VAL B 19 -2.480 -16.532 -21.117 1.00 0.00 C ATOM 776 CG1 VAL B 19 -3.296 -15.585 -21.997 1.00 0.00 C ATOM 777 CG2 VAL B 19 -1.147 -15.894 -20.716 1.00 0.00 C ATOM 0 H VAL B 19 -4.950 -17.624 -20.952 1.00 0.00 H new ATOM 0 HA VAL B 19 -2.561 -17.388 -19.181 1.00 0.00 H new ATOM 0 HB VAL B 19 -2.263 -17.427 -21.700 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -2.706 -15.298 -22.867 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -4.206 -16.087 -22.325 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -3.559 -14.694 -21.427 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.600 -15.600 -21.612 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.335 -15.014 -20.101 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.555 -16.613 -20.149 1.00 0.00 H new ATOM 787 N GLN B 20 -3.160 -15.051 -18.412 1.00 0.00 N ATOM 788 CA GLN B 20 -3.670 -13.903 -17.681 1.00 0.00 C ATOM 789 C GLN B 20 -3.112 -12.608 -18.271 1.00 0.00 C ATOM 790 O GLN B 20 -1.897 -12.425 -18.341 1.00 0.00 O ATOM 791 CB GLN B 20 -3.343 -14.014 -16.191 1.00 0.00 C ATOM 792 CG GLN B 20 -4.612 -14.238 -15.366 1.00 0.00 C ATOM 793 CD GLN B 20 -4.345 -14.011 -13.877 1.00 0.00 C ATOM 794 OE1 GLN B 20 -3.269 -14.273 -13.365 1.00 0.00 O ATOM 795 NE2 GLN B 20 -5.383 -13.511 -13.211 1.00 0.00 N ATOM 0 H GLN B 20 -2.164 -15.230 -18.284 1.00 0.00 H new ATOM 0 HA GLN B 20 -4.755 -13.885 -17.780 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -2.649 -14.838 -16.028 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -2.843 -13.105 -15.856 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -5.395 -13.561 -15.706 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -4.978 -15.253 -15.523 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -6.256 -13.314 -13.700 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -5.306 -13.325 -12.211 1.00 0.00 H new ATOM 802 N LYS B 21 -4.025 -11.738 -18.679 1.00 0.00 N ATOM 803 CA LYS B 21 -3.640 -10.464 -19.260 1.00 0.00 C ATOM 804 C LYS B 21 -4.090 -9.330 -18.338 1.00 0.00 C ATOM 805 O LYS B 21 -5.254 -9.267 -17.949 1.00 0.00 O ATOM 806 CB LYS B 21 -4.173 -10.343 -20.690 1.00 0.00 C ATOM 807 CG LYS B 21 -3.124 -9.727 -21.616 1.00 0.00 C ATOM 808 CD LYS B 21 -3.473 -9.980 -23.084 1.00 0.00 C ATOM 809 CE LYS B 21 -2.252 -9.773 -23.983 1.00 0.00 C ATOM 810 NZ LYS B 21 -2.593 -10.053 -25.394 1.00 0.00 N ATOM 0 H LYS B 21 -5.032 -11.891 -18.618 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.555 -10.396 -19.342 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.457 -11.328 -21.061 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -5.073 -9.729 -20.695 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.058 -8.654 -21.434 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.144 -10.149 -21.393 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.848 -10.997 -23.202 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -4.274 -9.308 -23.392 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.892 -8.749 -23.886 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.442 -10.428 -23.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -1.753 -9.908 -25.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -2.915 -11.038 -25.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -3.351 -9.411 -25.702 1.00 0.00 H new ATOM 819 N TRP B 22 -3.141 -8.463 -18.013 1.00 0.00 N ATOM 820 CA TRP B 22 -3.426 -7.334 -17.143 1.00 0.00 C ATOM 821 C TRP B 22 -3.190 -6.050 -17.941 1.00 0.00 C ATOM 822 O TRP B 22 -2.062 -5.756 -18.329 1.00 0.00 O ATOM 823 CB TRP B 22 -2.590 -7.405 -15.864 1.00 0.00 C ATOM 824 CG TRP B 22 -3.315 -8.051 -14.681 1.00 0.00 C ATOM 825 CD1 TRP B 22 -3.860 -9.274 -14.616 1.00 0.00 C ATOM 826 CD2 TRP B 22 -3.555 -7.454 -13.389 1.00 0.00 C ATOM 827 NE1 TRP B 22 -4.429 -9.509 -13.380 1.00 0.00 N ATOM 828 CE2 TRP B 22 -4.239 -8.366 -12.611 1.00 0.00 C ATOM 829 CE3 TRP B 22 -3.205 -6.185 -12.894 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -4.631 -8.108 -11.292 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -3.604 -5.942 -11.574 1.00 0.00 C ATOM 832 CH2 TRP B 22 -4.293 -6.849 -10.778 1.00 0.00 C ATOM 0 H TRP B 22 -2.175 -8.520 -18.336 1.00 0.00 H new ATOM 0 HA TRP B 22 -4.465 -7.353 -16.814 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -1.679 -7.967 -16.069 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -2.287 -6.396 -15.584 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -3.855 -9.986 -15.428 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -4.902 -10.364 -13.085 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -2.671 -5.456 -13.485 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -5.165 -8.839 -10.703 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -3.359 -4.982 -11.144 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -4.567 -6.585 -9.767 1.00 0.00 H new ATOM 842 N HIS B 23 -4.275 -5.321 -18.162 1.00 0.00 N ATOM 843 CA HIS B 23 -4.200 -4.076 -18.907 1.00 0.00 C ATOM 844 C HIS B 23 -4.245 -2.895 -17.937 1.00 0.00 C ATOM 845 O HIS B 23 -5.179 -2.769 -17.147 1.00 0.00 O ATOM 846 CB HIS B 23 -5.299 -4.012 -19.969 1.00 0.00 C ATOM 847 CG HIS B 23 -5.140 -2.876 -20.950 1.00 0.00 C ATOM 848 ND1 HIS B 23 -6.138 -2.503 -21.834 1.00 0.00 N ATOM 849 CD2 HIS B 23 -4.091 -2.032 -21.175 1.00 0.00 C ATOM 850 CE1 HIS B 23 -5.697 -1.482 -22.556 1.00 0.00 C ATOM 851 NE2 HIS B 23 -4.429 -1.193 -22.146 1.00 0.00 N ATOM 0 H HIS B 23 -5.210 -5.569 -17.838 1.00 0.00 H new ATOM 0 HA HIS B 23 -3.253 -4.025 -19.444 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -5.314 -4.953 -20.518 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -6.265 -3.917 -19.472 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -3.146 -2.045 -20.652 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -6.246 -0.969 -23.332 1.00 0.00 H new ATOM 0 HE2 HIS B 23 -3.837 -0.453 -22.524 1.00 0.00 H new ATOM 858 N PHE B 24 -3.221 -2.058 -18.026 1.00 0.00 N ATOM 859 CA PHE B 24 -3.132 -0.890 -17.166 1.00 0.00 C ATOM 860 C PHE B 24 -3.202 0.400 -17.984 1.00 0.00 C ATOM 861 O PHE B 24 -2.351 0.646 -18.839 1.00 0.00 O ATOM 862 CB PHE B 24 -1.777 -0.958 -16.460 1.00 0.00 C ATOM 863 CG PHE B 24 -1.873 -1.076 -14.936 1.00 0.00 C ATOM 864 CD1 PHE B 24 -2.433 -0.071 -14.211 1.00 0.00 C ATOM 865 CD2 PHE B 24 -1.401 -2.187 -14.309 1.00 0.00 C ATOM 866 CE1 PHE B 24 -2.523 -0.181 -12.798 1.00 0.00 C ATOM 867 CE2 PHE B 24 -1.492 -2.295 -12.896 1.00 0.00 C ATOM 868 CZ PHE B 24 -2.051 -1.290 -12.170 1.00 0.00 C ATOM 0 H PHE B 24 -2.446 -2.166 -18.681 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.961 -0.885 -16.458 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.220 -1.812 -16.846 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.204 -0.065 -16.709 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.809 0.810 -14.709 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.958 -2.986 -14.885 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.967 0.617 -12.222 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.117 -3.176 -12.397 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.120 -1.373 -11.095 1.00 0.00 H new ATOM 877 N VAL B 25 -4.223 1.193 -17.693 1.00 0.00 N ATOM 878 CA VAL B 25 -4.416 2.453 -18.392 1.00 0.00 C ATOM 879 C VAL B 25 -4.647 3.567 -17.370 1.00 0.00 C ATOM 880 O VAL B 25 -5.678 3.596 -16.698 1.00 0.00 O ATOM 881 CB VAL B 25 -5.558 2.321 -19.401 1.00 0.00 C ATOM 882 CG1 VAL B 25 -5.856 3.666 -20.068 1.00 0.00 C ATOM 883 CG2 VAL B 25 -5.246 1.248 -20.446 1.00 0.00 C ATOM 0 H VAL B 25 -4.926 0.988 -16.983 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.525 2.715 -18.962 1.00 0.00 H new ATOM 0 HB VAL B 25 -6.451 2.010 -18.859 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -6.672 3.546 -20.781 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -6.142 4.393 -19.308 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -4.966 4.018 -20.590 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -6.074 1.175 -21.151 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -4.336 1.516 -20.982 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -5.105 0.287 -19.950 1.00 0.00 H new ATOM 893 N LEU B 26 -3.670 4.458 -17.282 1.00 0.00 N ATOM 894 CA LEU B 26 -3.754 5.571 -16.353 1.00 0.00 C ATOM 895 C LEU B 26 -3.279 6.848 -17.050 1.00 0.00 C ATOM 896 O LEU B 26 -2.135 7.264 -16.877 1.00 0.00 O ATOM 897 CB LEU B 26 -2.992 5.253 -15.065 1.00 0.00 C ATOM 898 CG LEU B 26 -3.164 6.253 -13.920 1.00 0.00 C ATOM 899 CD1 LEU B 26 -4.042 5.671 -12.811 1.00 0.00 C ATOM 900 CD2 LEU B 26 -1.806 6.719 -13.391 1.00 0.00 C ATOM 0 H LEU B 26 -2.816 4.431 -17.839 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.788 5.738 -16.051 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.307 4.270 -14.713 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.931 5.182 -15.302 1.00 0.00 H new ATOM 0 HG LEU B 26 -3.677 7.132 -14.309 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.148 6.402 -12.010 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.025 5.430 -13.214 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.579 4.766 -12.418 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.956 7.429 -12.578 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.244 5.860 -13.023 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -1.248 7.200 -14.194 1.00 0.00 H new ATOM 925 N GLY B 28 -1.773 8.870 -19.692 1.00 0.00 N ATOM 926 CA GLY B 28 -0.814 8.670 -20.767 1.00 0.00 C ATOM 927 C GLY B 28 0.130 7.508 -20.450 1.00 0.00 C ATOM 928 O GLY B 28 0.996 7.171 -21.255 1.00 0.00 O ATOM 0 HA2 GLY B 28 -1.343 8.470 -21.699 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -0.236 9.582 -20.918 1.00 0.00 H new ATOM 932 N TYR B 29 -0.070 6.929 -19.276 1.00 0.00 N ATOM 933 CA TYR B 29 0.754 5.813 -18.843 1.00 0.00 C ATOM 934 C TYR B 29 0.013 4.485 -19.020 1.00 0.00 C ATOM 935 O TYR B 29 -0.962 4.216 -18.320 1.00 0.00 O ATOM 936 CB TYR B 29 1.022 6.038 -17.354 1.00 0.00 C ATOM 937 CG TYR B 29 2.176 7.001 -17.069 1.00 0.00 C ATOM 938 CD1 TYR B 29 2.489 7.991 -17.979 1.00 0.00 C ATOM 939 CD2 TYR B 29 2.903 6.882 -15.902 1.00 0.00 C ATOM 940 CE1 TYR B 29 3.576 8.898 -17.710 1.00 0.00 C ATOM 941 CE2 TYR B 29 3.989 7.787 -15.634 1.00 0.00 C ATOM 942 CZ TYR B 29 4.271 8.751 -16.551 1.00 0.00 C ATOM 943 OH TYR B 29 5.298 9.607 -16.298 1.00 0.00 O ATOM 0 H TYR B 29 -0.790 7.211 -18.611 1.00 0.00 H new ATOM 0 HA TYR B 29 1.671 5.763 -19.430 1.00 0.00 H new ATOM 0 HB2 TYR B 29 0.116 6.424 -16.886 1.00 0.00 H new ATOM 0 HB3 TYR B 29 1.239 5.078 -16.885 1.00 0.00 H new ATOM 0 HD1 TYR B 29 1.920 8.086 -18.892 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.657 6.109 -15.189 1.00 0.00 H new ATOM 0 HE1 TYR B 29 3.833 9.677 -18.413 1.00 0.00 H new ATOM 0 HE2 TYR B 29 4.567 7.703 -14.726 1.00 0.00 H new ATOM 0 HH TYR B 29 5.704 9.385 -15.434 1.00 0.00 H new ATOM 952 N LYS B 30 0.506 3.691 -19.961 1.00 0.00 N ATOM 953 CA LYS B 30 -0.097 2.398 -20.237 1.00 0.00 C ATOM 954 C LYS B 30 0.903 1.290 -19.899 1.00 0.00 C ATOM 955 O LYS B 30 1.963 1.196 -20.515 1.00 0.00 O ATOM 956 CB LYS B 30 -0.610 2.344 -21.678 1.00 0.00 C ATOM 957 CG LYS B 30 -1.752 3.340 -21.891 1.00 0.00 C ATOM 958 CD LYS B 30 -2.123 3.438 -23.372 1.00 0.00 C ATOM 959 CE LYS B 30 -2.725 4.808 -23.697 1.00 0.00 C ATOM 960 NZ LYS B 30 -1.674 5.739 -24.162 1.00 0.00 N ATOM 0 H LYS B 30 1.314 3.918 -20.540 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.971 2.242 -19.604 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.205 2.567 -22.367 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.954 1.336 -21.908 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -2.623 3.029 -21.314 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.457 4.322 -21.520 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.237 3.272 -23.984 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.837 2.654 -23.625 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.491 4.702 -24.465 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.215 5.216 -22.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.100 6.663 -24.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.957 5.853 -23.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.225 5.356 -25.018 1.00 0.00 H new ATOM 969 N CYS B 31 0.529 0.479 -18.920 1.00 0.00 N ATOM 970 CA CYS B 31 1.380 -0.617 -18.491 1.00 0.00 C ATOM 971 C CYS B 31 0.766 -1.926 -18.994 1.00 0.00 C ATOM 972 O CYS B 31 -0.438 -2.141 -18.866 1.00 0.00 O ATOM 973 CB CYS B 31 1.572 -0.625 -16.973 1.00 0.00 C ATOM 974 SG CYS B 31 2.221 0.937 -16.274 1.00 0.00 S ATOM 0 H CYS B 31 -0.352 0.559 -18.412 1.00 0.00 H new ATOM 0 HA CYS B 31 2.376 -0.495 -18.917 1.00 0.00 H new ATOM 0 HB2 CYS B 31 0.615 -0.848 -16.501 1.00 0.00 H new ATOM 0 HB3 CYS B 31 2.253 -1.435 -16.711 1.00 0.00 H new ATOM 978 N GLU B 32 1.623 -2.765 -19.557 1.00 0.00 N ATOM 979 CA GLU B 32 1.180 -4.046 -20.080 1.00 0.00 C ATOM 980 C GLU B 32 1.872 -5.191 -19.338 1.00 0.00 C ATOM 981 O GLU B 32 3.097 -5.303 -19.364 1.00 0.00 O ATOM 982 CB GLU B 32 1.432 -4.141 -21.587 1.00 0.00 C ATOM 983 CG GLU B 32 0.471 -3.236 -22.361 1.00 0.00 C ATOM 984 CD GLU B 32 0.640 -3.418 -23.870 1.00 0.00 C ATOM 985 OE1 GLU B 32 -0.166 -4.114 -24.505 1.00 0.00 O ATOM 986 OE2 GLU B 32 1.653 -2.807 -24.383 1.00 0.00 O ATOM 0 H GLU B 32 2.621 -2.583 -19.662 1.00 0.00 H new ATOM 0 HA GLU B 32 0.105 -4.129 -19.917 1.00 0.00 H new ATOM 0 HB2 GLU B 32 2.461 -3.857 -21.806 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.310 -5.173 -21.916 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -0.556 -3.463 -22.077 1.00 0.00 H new ATOM 0 HG3 GLU B 32 0.652 -2.195 -22.094 1.00 0.00 H new ATOM 992 N ILE B 33 1.058 -6.013 -18.692 1.00 0.00 N ATOM 993 CA ILE B 33 1.576 -7.144 -17.943 1.00 0.00 C ATOM 994 C ILE B 33 1.080 -8.444 -18.579 1.00 0.00 C ATOM 995 O ILE B 33 -0.099 -8.564 -18.916 1.00 0.00 O ATOM 996 CB ILE B 33 1.223 -7.012 -16.459 1.00 0.00 C ATOM 997 CG1 ILE B 33 1.709 -5.675 -15.898 1.00 0.00 C ATOM 998 CG2 ILE B 33 1.761 -8.200 -15.659 1.00 0.00 C ATOM 999 CD1 ILE B 33 0.983 -5.331 -14.595 1.00 0.00 C ATOM 0 H ILE B 33 0.043 -5.918 -18.672 1.00 0.00 H new ATOM 0 HA ILE B 33 2.665 -7.162 -17.988 1.00 0.00 H new ATOM 0 HB ILE B 33 0.137 -7.026 -16.363 1.00 0.00 H new ATOM 0 HG12 ILE B 33 2.783 -5.721 -15.719 1.00 0.00 H new ATOM 0 HG13 ILE B 33 1.541 -4.886 -16.631 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.496 -8.081 -14.608 1.00 0.00 H new ATOM 0 HG22 ILE B 33 1.325 -9.123 -16.041 1.00 0.00 H new ATOM 0 HG23 ILE B 33 2.846 -8.243 -15.757 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.347 -4.376 -14.217 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.089 -5.262 -14.783 1.00 0.00 H new ATOM 0 HD13 ILE B 33 1.173 -6.110 -13.856 1.00 0.00 H new ATOM 1010 N LEU B 34 2.001 -9.383 -18.727 1.00 0.00 N ATOM 1011 CA LEU B 34 1.670 -10.669 -19.318 1.00 0.00 C ATOM 1012 C LEU B 34 2.062 -11.787 -18.349 1.00 0.00 C ATOM 1013 O LEU B 34 3.235 -12.139 -18.244 1.00 0.00 O ATOM 1014 CB LEU B 34 2.310 -10.803 -20.702 1.00 0.00 C ATOM 1015 CG LEU B 34 3.836 -10.699 -20.747 1.00 0.00 C ATOM 1016 CD1 LEU B 34 4.467 -12.051 -21.088 1.00 0.00 C ATOM 1017 CD2 LEU B 34 4.282 -9.599 -21.713 1.00 0.00 C ATOM 0 H LEU B 34 2.977 -9.280 -18.448 1.00 0.00 H new ATOM 0 HA LEU B 34 0.595 -10.749 -19.480 1.00 0.00 H new ATOM 0 HB2 LEU B 34 2.018 -11.765 -21.124 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.894 -10.031 -21.350 1.00 0.00 H new ATOM 0 HG LEU B 34 4.189 -10.419 -19.755 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.552 -11.950 -21.114 1.00 0.00 H new ATOM 0 HD12 LEU B 34 4.189 -12.784 -20.331 1.00 0.00 H new ATOM 0 HD13 LEU B 34 4.110 -12.383 -22.063 1.00 0.00 H new ATOM 0 HD21 LEU B 34 5.371 -9.546 -21.726 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.917 -9.825 -22.715 1.00 0.00 H new ATOM 0 HD23 LEU B 34 3.876 -8.642 -21.387 1.00 0.00 H new ATOM 1028 N ALA B 35 1.056 -12.313 -17.667 1.00 0.00 N ATOM 1029 CA ALA B 35 1.280 -13.384 -16.709 1.00 0.00 C ATOM 1030 C ALA B 35 0.683 -14.682 -17.255 1.00 0.00 C ATOM 1031 O ALA B 35 -0.516 -14.756 -17.519 1.00 0.00 O ATOM 1032 CB ALA B 35 0.685 -12.992 -15.356 1.00 0.00 C ATOM 0 H ALA B 35 0.084 -12.018 -17.758 1.00 0.00 H new ATOM 0 HA ALA B 35 2.347 -13.549 -16.559 1.00 0.00 H new ATOM 0 HB1 ALA B 35 0.853 -13.795 -14.638 1.00 0.00 H new ATOM 0 HB2 ALA B 35 1.163 -12.080 -14.999 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -0.386 -12.821 -15.465 1.00 0.00 H new