USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 595 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: C 13 HIS : no HD1:sc= 1.21 K(o=2.2,f=-7.9!) USER MOD Set 1.2: C 15 GLN : amide:sc= 1.03 K(o=2.2,f=-1.4) USER MOD Set 2.1: A 13 HIS : no HD1:sc= 1.15 K(o=2.2,f=-8.1!) USER MOD Set 2.2: A 15 GLN : amide:sc= 1.02 K(o=2.2,f=-1.3) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0047) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc=-0.00273 (180deg=-0.0781) USER MOD Single : A 35 MET CE :methyl -138:sc= -0.351 (180deg=-0.729) USER MOD Single : B 35 MET CE :methyl -160:sc= -0.131 (180deg=-0.679) USER MOD Single : C 10 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=-0.021) USER MOD Single : C 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0663) USER MOD Single : C 35 MET CE :methyl -134:sc= -0.368 (180deg=-0.717) USER MOD Single : D 35 MET CE :methyl -159:sc= -0.174 (180deg=-0.634) USER MOD ----------------------------------------------------------------- ATOM 132 N TYR A 10 20.723 7.593 -6.709 1.00 0.00 N ATOM 133 CA TYR A 10 19.507 6.948 -6.262 1.00 0.00 C ATOM 134 C TYR A 10 18.351 7.377 -7.150 1.00 0.00 C ATOM 135 O TYR A 10 18.380 8.459 -7.734 1.00 0.00 O ATOM 136 CB TYR A 10 19.208 7.293 -4.795 1.00 0.00 C ATOM 137 CG TYR A 10 18.925 8.761 -4.547 1.00 0.00 C ATOM 138 CD1 TYR A 10 19.960 9.666 -4.357 1.00 0.00 C ATOM 139 CD2 TYR A 10 17.621 9.238 -4.501 1.00 0.00 C ATOM 140 CE1 TYR A 10 19.705 11.005 -4.131 1.00 0.00 C ATOM 141 CE2 TYR A 10 17.359 10.575 -4.277 1.00 0.00 C ATOM 142 CZ TYR A 10 18.403 11.454 -4.091 1.00 0.00 C ATOM 143 OH TYR A 10 18.147 12.786 -3.866 1.00 0.00 O ATOM 0 HA TYR A 10 19.638 5.868 -6.332 1.00 0.00 H new ATOM 0 HB2 TYR A 10 18.350 6.708 -4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 10 20.057 6.990 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 10 20.982 9.318 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 10 16.799 8.552 -4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 10 20.522 11.696 -3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.339 10.930 -4.248 1.00 0.00 H new ATOM 0 HH TYR A 10 17.179 12.938 -3.869 1.00 0.00 H new ATOM 153 N GLU A 11 17.350 6.527 -7.260 1.00 0.00 N ATOM 154 CA GLU A 11 16.185 6.832 -8.066 1.00 0.00 C ATOM 155 C GLU A 11 14.917 6.511 -7.292 1.00 0.00 C ATOM 156 O GLU A 11 14.782 5.420 -6.735 1.00 0.00 O ATOM 157 CB GLU A 11 16.235 6.034 -9.370 1.00 0.00 C ATOM 158 CG GLU A 11 15.133 6.380 -10.353 1.00 0.00 C ATOM 159 CD GLU A 11 15.268 5.618 -11.653 1.00 0.00 C ATOM 160 OE1 GLU A 11 15.923 6.136 -12.580 1.00 0.00 O ATOM 161 OE2 GLU A 11 14.732 4.497 -11.745 1.00 0.00 O ATOM 0 H GLU A 11 17.320 5.617 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 11 16.182 7.895 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.200 6.202 -9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.176 4.971 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.165 6.160 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.153 7.450 -10.557 1.00 0.00 H new ATOM 168 N VAL A 12 14.002 7.468 -7.238 1.00 0.00 N ATOM 169 CA VAL A 12 12.744 7.272 -6.541 1.00 0.00 C ATOM 170 C VAL A 12 11.612 7.033 -7.534 1.00 0.00 C ATOM 171 O VAL A 12 11.367 7.839 -8.430 1.00 0.00 O ATOM 172 CB VAL A 12 12.400 8.466 -5.615 1.00 0.00 C ATOM 173 CG1 VAL A 12 13.426 8.588 -4.496 1.00 0.00 C ATOM 174 CG2 VAL A 12 12.318 9.772 -6.394 1.00 0.00 C ATOM 0 H VAL A 12 14.109 8.386 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 12 12.859 6.389 -5.912 1.00 0.00 H new ATOM 0 HB VAL A 12 11.420 8.271 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.168 9.432 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 12 13.430 7.672 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.415 8.747 -4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.075 10.587 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.277 9.972 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.543 9.693 -7.156 1.00 0.00 H new ATOM 184 N HIS A 13 10.947 5.902 -7.386 1.00 0.00 N ATOM 185 CA HIS A 13 9.845 5.548 -8.260 1.00 0.00 C ATOM 186 C HIS A 13 8.549 5.483 -7.468 1.00 0.00 C ATOM 187 O HIS A 13 8.512 4.933 -6.373 1.00 0.00 O ATOM 188 CB HIS A 13 10.116 4.201 -8.945 1.00 0.00 C ATOM 189 CG HIS A 13 9.009 3.743 -9.853 1.00 0.00 C ATOM 190 ND1 HIS A 13 8.894 4.153 -11.163 1.00 0.00 N ATOM 191 CD2 HIS A 13 7.964 2.907 -9.634 1.00 0.00 C ATOM 192 CE1 HIS A 13 7.832 3.598 -11.707 1.00 0.00 C ATOM 193 NE2 HIS A 13 7.250 2.837 -10.802 1.00 0.00 N ATOM 0 H HIS A 13 11.153 5.210 -6.665 1.00 0.00 H new ATOM 0 HA HIS A 13 9.750 6.315 -9.029 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.037 4.278 -9.522 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.281 3.443 -8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.737 2.393 -8.712 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.495 3.742 -12.723 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.405 2.285 -10.947 1.00 0.00 H new ATOM 202 N HIS A 14 7.496 6.050 -8.024 1.00 0.00 N ATOM 203 CA HIS A 14 6.185 5.990 -7.407 1.00 0.00 C ATOM 204 C HIS A 14 5.113 5.825 -8.473 1.00 0.00 C ATOM 205 O HIS A 14 5.156 6.475 -9.516 1.00 0.00 O ATOM 206 CB HIS A 14 5.918 7.233 -6.539 1.00 0.00 C ATOM 207 CG HIS A 14 6.260 8.544 -7.189 1.00 0.00 C ATOM 208 ND1 HIS A 14 7.223 9.398 -6.692 1.00 0.00 N ATOM 209 CD2 HIS A 14 5.759 9.153 -8.288 1.00 0.00 C ATOM 210 CE1 HIS A 14 7.297 10.468 -7.458 1.00 0.00 C ATOM 211 NE2 HIS A 14 6.420 10.345 -8.433 1.00 0.00 N ATOM 0 H HIS A 14 7.523 6.560 -8.907 1.00 0.00 H new ATOM 0 HA HIS A 14 6.155 5.122 -6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.864 7.245 -6.262 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.489 7.142 -5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.981 8.770 -8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.964 11.304 -7.311 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.259 11.026 -9.175 1.00 0.00 H new ATOM 220 N GLN A 15 4.168 4.941 -8.214 1.00 0.00 N ATOM 221 CA GLN A 15 3.109 4.656 -9.164 1.00 0.00 C ATOM 222 C GLN A 15 1.789 4.467 -8.433 1.00 0.00 C ATOM 223 O GLN A 15 1.755 3.924 -7.326 1.00 0.00 O ATOM 224 CB GLN A 15 3.458 3.406 -9.983 1.00 0.00 C ATOM 225 CG GLN A 15 3.576 2.134 -9.153 1.00 0.00 C ATOM 226 CD GLN A 15 4.228 0.995 -9.913 1.00 0.00 C ATOM 227 OE1 GLN A 15 5.086 1.213 -10.767 1.00 0.00 O ATOM 228 NE2 GLN A 15 3.815 -0.227 -9.622 1.00 0.00 N ATOM 0 H GLN A 15 4.112 4.405 -7.348 1.00 0.00 H new ATOM 0 HA GLN A 15 3.008 5.499 -9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.694 3.260 -10.747 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.400 3.577 -10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.156 2.344 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.583 1.825 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.101 -0.367 -8.907 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.210 -1.029 -10.112 1.00 0.00 H new ATOM 237 N LYS A 16 0.713 4.931 -9.042 1.00 0.00 N ATOM 238 CA LYS A 16 -0.607 4.824 -8.448 1.00 0.00 C ATOM 239 C LYS A 16 -1.647 4.479 -9.505 1.00 0.00 C ATOM 240 O LYS A 16 -1.732 5.126 -10.546 1.00 0.00 O ATOM 241 CB LYS A 16 -0.980 6.127 -7.736 1.00 0.00 C ATOM 242 CG LYS A 16 -0.750 7.373 -8.576 1.00 0.00 C ATOM 243 CD LYS A 16 -1.104 8.636 -7.810 1.00 0.00 C ATOM 244 CE LYS A 16 -0.724 9.884 -8.589 1.00 0.00 C ATOM 245 NZ LYS A 16 -1.434 9.972 -9.892 1.00 0.00 N ATOM 0 H LYS A 16 0.728 5.388 -9.954 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.587 4.020 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.030 6.084 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.399 6.207 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.294 7.416 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.351 7.317 -9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.174 8.648 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.591 8.636 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.954 10.767 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.352 9.888 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.236 10.892 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.106 9.209 -10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.458 9.876 -9.737 1.00 0.00 H new ATOM 259 N LEU A 17 -2.425 3.445 -9.232 1.00 0.00 N ATOM 260 CA LEU A 17 -3.464 2.998 -10.146 1.00 0.00 C ATOM 261 C LEU A 17 -4.777 2.824 -9.396 1.00 0.00 C ATOM 262 O LEU A 17 -4.825 2.151 -8.365 1.00 0.00 O ATOM 263 CB LEU A 17 -3.062 1.676 -10.808 1.00 0.00 C ATOM 264 CG LEU A 17 -1.780 1.722 -11.644 1.00 0.00 C ATOM 265 CD1 LEU A 17 -1.408 0.331 -12.123 1.00 0.00 C ATOM 266 CD2 LEU A 17 -1.945 2.663 -12.829 1.00 0.00 C ATOM 0 H LEU A 17 -2.356 2.894 -8.376 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.593 3.752 -10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.941 0.922 -10.030 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.881 1.346 -11.447 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.975 2.100 -11.014 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.495 0.382 -12.716 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.247 -0.319 -11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.215 -0.071 -12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.023 2.681 -13.410 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.764 2.315 -13.459 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.166 3.667 -12.468 1.00 0.00 H new ATOM 278 N VAL A 18 -5.832 3.441 -9.904 1.00 0.00 N ATOM 279 CA VAL A 18 -7.147 3.344 -9.288 1.00 0.00 C ATOM 280 C VAL A 18 -8.185 2.921 -10.322 1.00 0.00 C ATOM 281 O VAL A 18 -8.367 3.582 -11.345 1.00 0.00 O ATOM 282 CB VAL A 18 -7.580 4.681 -8.640 1.00 0.00 C ATOM 283 CG1 VAL A 18 -8.947 4.545 -7.983 1.00 0.00 C ATOM 284 CG2 VAL A 18 -6.548 5.149 -7.623 1.00 0.00 C ATOM 0 H VAL A 18 -5.803 4.017 -10.745 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.081 2.592 -8.502 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.649 5.430 -9.429 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.231 5.497 -7.534 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.685 4.263 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.904 3.778 -7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.874 6.090 -7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.442 4.398 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.588 5.294 -8.119 1.00 0.00 H new ATOM 294 N PHE A 19 -8.854 1.812 -10.054 1.00 0.00 N ATOM 295 CA PHE A 19 -9.867 1.290 -10.956 1.00 0.00 C ATOM 296 C PHE A 19 -11.185 1.119 -10.215 1.00 0.00 C ATOM 297 O PHE A 19 -11.203 0.686 -9.064 1.00 0.00 O ATOM 298 CB PHE A 19 -9.413 -0.049 -11.548 1.00 0.00 C ATOM 299 CG PHE A 19 -10.407 -0.663 -12.495 1.00 0.00 C ATOM 300 CD1 PHE A 19 -10.475 -0.247 -13.813 1.00 0.00 C ATOM 301 CD2 PHE A 19 -11.273 -1.657 -12.063 1.00 0.00 C ATOM 302 CE1 PHE A 19 -11.387 -0.810 -14.686 1.00 0.00 C ATOM 303 CE2 PHE A 19 -12.186 -2.223 -12.931 1.00 0.00 C ATOM 304 CZ PHE A 19 -12.243 -1.799 -14.244 1.00 0.00 C ATOM 0 H PHE A 19 -8.712 1.252 -9.213 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.011 1.999 -11.772 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.469 0.098 -12.072 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.220 -0.748 -10.735 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.808 0.526 -14.164 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.233 -1.992 -11.037 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.430 -0.477 -15.712 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.855 -2.996 -12.583 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.956 -2.240 -14.924 1.00 0.00 H new ATOM 314 N PHE A 20 -12.285 1.460 -10.870 1.00 0.00 N ATOM 315 CA PHE A 20 -13.596 1.336 -10.258 1.00 0.00 C ATOM 316 C PHE A 20 -14.547 0.551 -11.155 1.00 0.00 C ATOM 317 O PHE A 20 -14.530 0.698 -12.379 1.00 0.00 O ATOM 318 CB PHE A 20 -14.181 2.719 -9.934 1.00 0.00 C ATOM 319 CG PHE A 20 -14.335 3.628 -11.125 1.00 0.00 C ATOM 320 CD1 PHE A 20 -15.523 3.663 -11.839 1.00 0.00 C ATOM 321 CD2 PHE A 20 -13.295 4.450 -11.526 1.00 0.00 C ATOM 322 CE1 PHE A 20 -15.668 4.499 -12.929 1.00 0.00 C ATOM 323 CE2 PHE A 20 -13.434 5.288 -12.616 1.00 0.00 C ATOM 324 CZ PHE A 20 -14.622 5.313 -13.318 1.00 0.00 C ATOM 0 H PHE A 20 -12.294 1.824 -11.823 1.00 0.00 H new ATOM 0 HA PHE A 20 -13.477 0.786 -9.325 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -15.156 2.586 -9.466 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -13.540 3.208 -9.201 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -16.345 3.029 -11.539 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -12.363 4.436 -10.980 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -16.599 4.516 -13.477 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.614 5.923 -12.918 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.734 5.968 -14.170 1.00 0.00 H new ATOM 334 N ALA A 21 -15.350 -0.298 -10.536 1.00 0.00 N ATOM 335 CA ALA A 21 -16.360 -1.069 -11.240 1.00 0.00 C ATOM 336 C ALA A 21 -17.724 -0.831 -10.605 1.00 0.00 C ATOM 337 O ALA A 21 -17.838 -0.763 -9.383 1.00 0.00 O ATOM 338 CB ALA A 21 -16.009 -2.548 -11.215 1.00 0.00 C ATOM 0 H ALA A 21 -15.320 -0.472 -9.531 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.395 -0.745 -12.280 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -16.775 -3.113 -11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.044 -2.701 -11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.956 -2.892 -10.182 1.00 0.00 H new ATOM 441 N GLY A 29 -20.806 -2.235 -6.468 1.00 0.00 N ATOM 442 CA GLY A 29 -19.669 -1.502 -6.977 1.00 0.00 C ATOM 443 C GLY A 29 -18.427 -1.715 -6.148 1.00 0.00 C ATOM 444 O GLY A 29 -18.499 -1.840 -4.930 1.00 0.00 O ATOM 0 HA2 GLY A 29 -19.473 -1.809 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.908 -0.439 -7.002 1.00 0.00 H new ATOM 448 N ALA A 30 -17.284 -1.749 -6.806 1.00 0.00 N ATOM 449 CA ALA A 30 -16.017 -1.927 -6.118 1.00 0.00 C ATOM 450 C ALA A 30 -14.958 -1.024 -6.717 1.00 0.00 C ATOM 451 O ALA A 30 -14.837 -0.917 -7.937 1.00 0.00 O ATOM 452 CB ALA A 30 -15.564 -3.378 -6.180 1.00 0.00 C ATOM 0 H ALA A 30 -17.206 -1.656 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.160 -1.656 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.613 -3.485 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.312 -4.013 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.442 -3.677 -7.221 1.00 0.00 H new ATOM 458 N ILE A 31 -14.202 -0.367 -5.859 1.00 0.00 N ATOM 459 CA ILE A 31 -13.122 0.490 -6.306 1.00 0.00 C ATOM 460 C ILE A 31 -11.813 0.078 -5.641 1.00 0.00 C ATOM 461 O ILE A 31 -11.752 -0.126 -4.425 1.00 0.00 O ATOM 462 CB ILE A 31 -13.427 1.982 -6.034 1.00 0.00 C ATOM 463 CG1 ILE A 31 -12.213 2.856 -6.377 1.00 0.00 C ATOM 464 CG2 ILE A 31 -13.860 2.189 -4.591 1.00 0.00 C ATOM 465 CD1 ILE A 31 -12.458 4.340 -6.206 1.00 0.00 C ATOM 0 H ILE A 31 -14.316 -0.411 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 31 -13.024 0.369 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.252 2.286 -6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.375 2.561 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.918 2.663 -7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.069 3.245 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.759 1.605 -4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.063 1.866 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.554 4.890 -6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -13.274 4.652 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -12.722 4.548 -5.169 1.00 0.00 H new ATOM 477 N ILE A 32 -10.782 -0.078 -6.455 1.00 0.00 N ATOM 478 CA ILE A 32 -9.483 -0.513 -5.974 1.00 0.00 C ATOM 479 C ILE A 32 -8.423 0.547 -6.240 1.00 0.00 C ATOM 480 O ILE A 32 -8.340 1.097 -7.340 1.00 0.00 O ATOM 481 CB ILE A 32 -9.054 -1.847 -6.632 1.00 0.00 C ATOM 482 CG1 ILE A 32 -9.101 -1.741 -8.161 1.00 0.00 C ATOM 483 CG2 ILE A 32 -9.945 -2.981 -6.154 1.00 0.00 C ATOM 484 CD1 ILE A 32 -8.660 -3.002 -8.875 1.00 0.00 C ATOM 0 H ILE A 32 -10.822 0.092 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.574 -0.668 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.027 -2.059 -6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.118 -1.498 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.466 -0.914 -8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -9.632 -3.913 -6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.863 -3.076 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.980 -2.769 -6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.720 -2.850 -9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.632 -3.236 -8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.310 -3.829 -8.588 1.00 0.00 H new ATOM 496 N GLY A 33 -7.632 0.846 -5.224 1.00 0.00 N ATOM 497 CA GLY A 33 -6.554 1.797 -5.384 1.00 0.00 C ATOM 498 C GLY A 33 -5.235 1.215 -4.936 1.00 0.00 C ATOM 499 O GLY A 33 -5.126 0.701 -3.824 1.00 0.00 O ATOM 0 H GLY A 33 -7.717 0.447 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.484 2.098 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.771 2.696 -4.807 1.00 0.00 H new ATOM 503 N LEU A 34 -4.236 1.286 -5.799 1.00 0.00 N ATOM 504 CA LEU A 34 -2.927 0.724 -5.506 1.00 0.00 C ATOM 505 C LEU A 34 -1.845 1.773 -5.710 1.00 0.00 C ATOM 506 O LEU A 34 -1.863 2.502 -6.700 1.00 0.00 O ATOM 507 CB LEU A 34 -2.651 -0.478 -6.415 1.00 0.00 C ATOM 508 CG LEU A 34 -3.676 -1.614 -6.346 1.00 0.00 C ATOM 509 CD1 LEU A 34 -3.340 -2.690 -7.364 1.00 0.00 C ATOM 510 CD2 LEU A 34 -3.725 -2.210 -4.948 1.00 0.00 C ATOM 0 H LEU A 34 -4.307 1.730 -6.714 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.918 0.398 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.596 -0.126 -7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.671 -0.883 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.658 -1.203 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.077 -3.491 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.353 -2.260 -8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.349 -3.092 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.459 -3.015 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.743 -2.605 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.007 -1.437 -4.233 1.00 0.00 H new ATOM 522 N MET A 35 -0.914 1.849 -4.773 1.00 0.00 N ATOM 523 CA MET A 35 0.187 2.795 -4.869 1.00 0.00 C ATOM 524 C MET A 35 1.481 2.143 -4.400 1.00 0.00 C ATOM 525 O MET A 35 1.545 1.584 -3.304 1.00 0.00 O ATOM 526 CB MET A 35 -0.109 4.044 -4.035 1.00 0.00 C ATOM 527 CG MET A 35 0.923 5.148 -4.202 1.00 0.00 C ATOM 528 SD MET A 35 0.564 6.604 -3.198 1.00 0.00 S ATOM 529 CE MET A 35 -1.044 7.075 -3.834 1.00 0.00 C ATOM 0 H MET A 35 -0.898 1.266 -3.936 1.00 0.00 H new ATOM 0 HA MET A 35 0.301 3.093 -5.911 1.00 0.00 H new ATOM 0 HB2 MET A 35 -1.090 4.431 -4.311 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.162 3.764 -2.983 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.907 4.762 -3.934 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.969 5.439 -5.251 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.087 8.158 -3.948 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.205 6.602 -4.803 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.819 6.752 -3.139 1.00 0.00 H new ATOM 539 N VAL A 36 2.503 2.199 -5.237 1.00 0.00 N ATOM 540 CA VAL A 36 3.792 1.604 -4.913 1.00 0.00 C ATOM 541 C VAL A 36 4.900 2.641 -5.025 1.00 0.00 C ATOM 542 O VAL A 36 4.955 3.401 -5.993 1.00 0.00 O ATOM 543 CB VAL A 36 4.123 0.407 -5.835 1.00 0.00 C ATOM 544 CG1 VAL A 36 5.488 -0.184 -5.496 1.00 0.00 C ATOM 545 CG2 VAL A 36 3.043 -0.661 -5.744 1.00 0.00 C ATOM 0 H VAL A 36 2.466 2.652 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 36 3.727 1.241 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 36 4.157 0.775 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.696 -1.024 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.257 0.578 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.488 -0.529 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.297 -1.493 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.971 -1.019 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.086 -0.238 -6.049 1.00 0.00 H new ATOM 555 N GLY A 37 5.765 2.678 -4.027 1.00 0.00 N ATOM 556 CA GLY A 37 6.905 3.562 -4.061 1.00 0.00 C ATOM 557 C GLY A 37 8.181 2.820 -3.744 1.00 0.00 C ATOM 558 O GLY A 37 8.248 2.090 -2.758 1.00 0.00 O ATOM 0 H GLY A 37 5.696 2.105 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.983 4.021 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.763 4.370 -3.343 1.00 0.00 H new ATOM 562 N GLY A 38 9.188 2.995 -4.577 1.00 0.00 N ATOM 563 CA GLY A 38 10.434 2.295 -4.381 1.00 0.00 C ATOM 564 C GLY A 38 11.629 3.186 -4.613 1.00 0.00 C ATOM 565 O GLY A 38 11.569 4.118 -5.415 1.00 0.00 O ATOM 0 H GLY A 38 9.165 3.612 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.470 1.898 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.481 1.443 -5.059 1.00 0.00 H new ATOM 569 N VAL A 39 12.713 2.906 -3.913 1.00 0.00 N ATOM 570 CA VAL A 39 13.919 3.708 -4.026 1.00 0.00 C ATOM 571 C VAL A 39 15.109 2.824 -4.376 1.00 0.00 C ATOM 572 O VAL A 39 15.442 1.892 -3.641 1.00 0.00 O ATOM 573 CB VAL A 39 14.227 4.479 -2.720 1.00 0.00 C ATOM 574 CG1 VAL A 39 15.420 5.402 -2.911 1.00 0.00 C ATOM 575 CG2 VAL A 39 13.011 5.269 -2.252 1.00 0.00 C ATOM 0 H VAL A 39 12.784 2.127 -3.258 1.00 0.00 H new ATOM 0 HA VAL A 39 13.747 4.435 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 39 14.474 3.749 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.620 5.935 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 39 16.295 4.813 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 39 15.201 6.120 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.255 5.801 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 39 12.725 5.986 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.182 4.586 -2.067 1.00 0.00 H new ATOM 585 N VAL A 40 15.728 3.111 -5.510 1.00 0.00 N ATOM 586 CA VAL A 40 16.921 2.397 -5.937 1.00 0.00 C ATOM 587 C VAL A 40 18.161 3.163 -5.496 1.00 0.00 C ATOM 588 O VAL A 40 18.480 4.207 -6.059 1.00 0.00 O ATOM 589 CB VAL A 40 16.947 2.214 -7.472 1.00 0.00 C ATOM 590 CG1 VAL A 40 18.180 1.438 -7.910 1.00 0.00 C ATOM 591 CG2 VAL A 40 15.680 1.518 -7.949 1.00 0.00 C ATOM 0 H VAL A 40 15.421 3.839 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 40 16.909 1.410 -5.475 1.00 0.00 H new ATOM 0 HB VAL A 40 16.992 3.203 -7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 40 18.172 1.324 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 40 19.077 1.979 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.176 0.454 -7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.716 1.398 -9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.604 0.538 -7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.811 2.119 -7.680 1.00 0.00 H new ATOM 601 N ILE A 41 18.844 2.654 -4.483 1.00 0.00 N ATOM 602 CA ILE A 41 20.012 3.325 -3.929 1.00 0.00 C ATOM 603 C ILE A 41 21.290 2.606 -4.346 1.00 0.00 C ATOM 604 O ILE A 41 21.333 1.374 -4.368 1.00 0.00 O ATOM 605 CB ILE A 41 19.942 3.376 -2.384 1.00 0.00 C ATOM 606 CG1 ILE A 41 18.629 4.022 -1.931 1.00 0.00 C ATOM 607 CG2 ILE A 41 21.133 4.134 -1.814 1.00 0.00 C ATOM 608 CD1 ILE A 41 18.433 4.018 -0.430 1.00 0.00 C ATOM 0 H ILE A 41 18.609 1.774 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 41 20.022 4.343 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 41 19.976 2.354 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.598 5.051 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.796 3.497 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 41 21.063 4.157 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 41 22.056 3.635 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 41 21.134 5.154 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 41 17.482 4.492 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 41 18.430 2.991 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 41 19.245 4.569 0.044 1.00 0.00 H new ATOM 1079 N ALA B 30 21.309 -0.645 -2.478 1.00 0.00 N ATOM 1080 CA ALA B 30 20.149 -1.253 -1.841 1.00 0.00 C ATOM 1081 C ALA B 30 18.868 -0.786 -2.517 1.00 0.00 C ATOM 1082 O ALA B 30 18.730 0.390 -2.850 1.00 0.00 O ATOM 1083 CB ALA B 30 20.114 -0.916 -0.357 1.00 0.00 C ATOM 0 HA ALA B 30 20.227 -2.335 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA B 30 19.240 -1.379 0.101 1.00 0.00 H new ATOM 0 HB2 ALA B 30 21.017 -1.292 0.123 1.00 0.00 H new ATOM 0 HB3 ALA B 30 20.059 0.165 -0.231 1.00 0.00 H new ATOM 1089 N ILE B 31 17.937 -1.703 -2.729 1.00 0.00 N ATOM 1090 CA ILE B 31 16.672 -1.363 -3.365 1.00 0.00 C ATOM 1091 C ILE B 31 15.505 -1.734 -2.461 1.00 0.00 C ATOM 1092 O ILE B 31 15.361 -2.891 -2.059 1.00 0.00 O ATOM 1093 CB ILE B 31 16.508 -2.069 -4.729 1.00 0.00 C ATOM 1094 CG1 ILE B 31 17.678 -1.725 -5.654 1.00 0.00 C ATOM 1095 CG2 ILE B 31 15.184 -1.676 -5.374 1.00 0.00 C ATOM 1096 CD1 ILE B 31 17.612 -2.410 -7.000 1.00 0.00 C ATOM 0 H ILE B 31 18.032 -2.685 -2.471 1.00 0.00 H new ATOM 0 HA ILE B 31 16.677 -0.286 -3.535 1.00 0.00 H new ATOM 0 HB ILE B 31 16.506 -3.146 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE B 31 17.704 -0.646 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE B 31 18.611 -2.000 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE B 31 15.083 -2.181 -6.334 1.00 0.00 H new ATOM 0 HG22 ILE B 31 14.361 -1.968 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE B 31 15.160 -0.597 -5.528 1.00 0.00 H new ATOM 0 HD11 ILE B 31 18.474 -2.118 -7.600 1.00 0.00 H new ATOM 0 HD12 ILE B 31 17.618 -3.491 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE B 31 16.696 -2.116 -7.513 1.00 0.00 H new ATOM 1108 N ILE B 32 14.682 -0.748 -2.135 1.00 0.00 N ATOM 1109 CA ILE B 32 13.510 -0.977 -1.305 1.00 0.00 C ATOM 1110 C ILE B 32 12.237 -0.656 -2.078 1.00 0.00 C ATOM 1111 O ILE B 32 12.256 0.153 -3.008 1.00 0.00 O ATOM 1112 CB ILE B 32 13.554 -0.147 0.006 1.00 0.00 C ATOM 1113 CG1 ILE B 32 13.592 1.364 -0.277 1.00 0.00 C ATOM 1114 CG2 ILE B 32 14.751 -0.552 0.851 1.00 0.00 C ATOM 1115 CD1 ILE B 32 12.222 2.011 -0.371 1.00 0.00 C ATOM 0 H ILE B 32 14.805 0.220 -2.434 1.00 0.00 H new ATOM 0 HA ILE B 32 13.512 -2.032 -1.032 1.00 0.00 H new ATOM 0 HB ILE B 32 12.638 -0.359 0.558 1.00 0.00 H new ATOM 0 HG12 ILE B 32 14.161 1.856 0.511 1.00 0.00 H new ATOM 0 HG13 ILE B 32 14.128 1.535 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.767 0.039 1.766 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.677 -1.610 1.104 1.00 0.00 H new ATOM 0 HG23 ILE B 32 15.669 -0.377 0.290 1.00 0.00 H new ATOM 0 HD11 ILE B 32 12.336 3.076 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE B 32 11.655 1.548 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE B 32 11.690 1.874 0.570 1.00 0.00 H new ATOM 1127 N GLY B 33 11.147 -1.301 -1.703 1.00 0.00 N ATOM 1128 CA GLY B 33 9.866 -1.020 -2.313 1.00 0.00 C ATOM 1129 C GLY B 33 8.732 -1.126 -1.316 1.00 0.00 C ATOM 1130 O GLY B 33 8.632 -2.111 -0.585 1.00 0.00 O ATOM 0 H GLY B 33 11.126 -2.021 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY B 33 9.880 -0.018 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY B 33 9.694 -1.716 -3.134 1.00 0.00 H new ATOM 1134 N LEU B 34 7.889 -0.107 -1.275 1.00 0.00 N ATOM 1135 CA LEU B 34 6.732 -0.096 -0.396 1.00 0.00 C ATOM 1136 C LEU B 34 5.457 -0.187 -1.221 1.00 0.00 C ATOM 1137 O LEU B 34 5.235 0.616 -2.128 1.00 0.00 O ATOM 1138 CB LEU B 34 6.718 1.178 0.452 1.00 0.00 C ATOM 1139 CG LEU B 34 7.927 1.365 1.374 1.00 0.00 C ATOM 1140 CD1 LEU B 34 7.842 2.700 2.094 1.00 0.00 C ATOM 1141 CD2 LEU B 34 8.017 0.225 2.377 1.00 0.00 C ATOM 0 H LEU B 34 7.987 0.732 -1.847 1.00 0.00 H new ATOM 0 HA LEU B 34 6.789 -0.956 0.271 1.00 0.00 H new ATOM 0 HB2 LEU B 34 6.654 2.038 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU B 34 5.814 1.179 1.061 1.00 0.00 H new ATOM 0 HG LEU B 34 8.830 1.357 0.763 1.00 0.00 H new ATOM 0 HD11 LEU B 34 8.708 2.818 2.745 1.00 0.00 H new ATOM 0 HD12 LEU B 34 7.826 3.508 1.362 1.00 0.00 H new ATOM 0 HD13 LEU B 34 6.931 2.734 2.692 1.00 0.00 H new ATOM 0 HD21 LEU B 34 8.882 0.376 3.023 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.111 0.201 2.983 1.00 0.00 H new ATOM 0 HD23 LEU B 34 8.122 -0.720 1.845 1.00 0.00 H new ATOM 1153 N MET B 35 4.625 -1.166 -0.909 1.00 0.00 N ATOM 1154 CA MET B 35 3.405 -1.403 -1.663 1.00 0.00 C ATOM 1155 C MET B 35 2.188 -1.258 -0.763 1.00 0.00 C ATOM 1156 O MET B 35 2.071 -1.946 0.249 1.00 0.00 O ATOM 1157 CB MET B 35 3.427 -2.804 -2.279 1.00 0.00 C ATOM 1158 CG MET B 35 4.595 -3.044 -3.221 1.00 0.00 C ATOM 1159 SD MET B 35 4.650 -4.732 -3.855 1.00 0.00 S ATOM 1160 CE MET B 35 4.923 -5.659 -2.346 1.00 0.00 C ATOM 0 H MET B 35 4.773 -1.813 -0.134 1.00 0.00 H new ATOM 0 HA MET B 35 3.345 -0.663 -2.461 1.00 0.00 H new ATOM 0 HB2 MET B 35 3.462 -3.542 -1.478 1.00 0.00 H new ATOM 0 HB3 MET B 35 2.496 -2.966 -2.822 1.00 0.00 H new ATOM 0 HG2 MET B 35 4.529 -2.349 -4.058 1.00 0.00 H new ATOM 0 HG3 MET B 35 5.527 -2.827 -2.699 1.00 0.00 H new ATOM 0 HE1 MET B 35 5.327 -6.641 -2.591 1.00 0.00 H new ATOM 0 HE2 MET B 35 5.630 -5.123 -1.713 1.00 0.00 H new ATOM 0 HE3 MET B 35 3.978 -5.777 -1.816 1.00 0.00 H new ATOM 1170 N VAL B 36 1.287 -0.363 -1.129 1.00 0.00 N ATOM 1171 CA VAL B 36 0.062 -0.171 -0.368 1.00 0.00 C ATOM 1172 C VAL B 36 -1.144 -0.147 -1.305 1.00 0.00 C ATOM 1173 O VAL B 36 -1.069 0.373 -2.421 1.00 0.00 O ATOM 1174 CB VAL B 36 0.115 1.124 0.482 1.00 0.00 C ATOM 1175 CG1 VAL B 36 0.231 2.361 -0.397 1.00 0.00 C ATOM 1176 CG2 VAL B 36 -1.099 1.225 1.392 1.00 0.00 C ATOM 0 H VAL B 36 1.379 0.241 -1.946 1.00 0.00 H new ATOM 0 HA VAL B 36 -0.039 -1.011 0.319 1.00 0.00 H new ATOM 0 HB VAL B 36 1.008 1.072 1.105 1.00 0.00 H new ATOM 0 HG11 VAL B 36 0.266 3.251 0.231 1.00 0.00 H new ATOM 0 HG12 VAL B 36 1.142 2.301 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.632 2.418 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -1.039 2.142 1.978 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -2.006 1.239 0.788 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -1.123 0.366 2.063 1.00 0.00 H new ATOM 1186 N GLY B 37 -2.238 -0.747 -0.866 1.00 0.00 N ATOM 1187 CA GLY B 37 -3.436 -0.787 -1.673 1.00 0.00 C ATOM 1188 C GLY B 37 -4.684 -0.949 -0.835 1.00 0.00 C ATOM 1189 O GLY B 37 -4.640 -1.529 0.250 1.00 0.00 O ATOM 0 H GLY B 37 -2.317 -1.209 0.040 1.00 0.00 H new ATOM 0 HA2 GLY B 37 -3.509 0.130 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY B 37 -3.367 -1.612 -2.382 1.00 0.00 H new ATOM 1193 N GLY B 38 -5.793 -0.437 -1.333 1.00 0.00 N ATOM 1194 CA GLY B 38 -7.047 -0.555 -0.625 1.00 0.00 C ATOM 1195 C GLY B 38 -8.187 -0.910 -1.554 1.00 0.00 C ATOM 1196 O GLY B 38 -8.189 -0.511 -2.720 1.00 0.00 O ATOM 0 H GLY B 38 -5.849 0.062 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -6.957 -1.318 0.148 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -7.269 0.385 -0.120 1.00 0.00 H new ATOM 1200 N VAL B 39 -9.144 -1.668 -1.046 1.00 0.00 N ATOM 1201 CA VAL B 39 -10.305 -2.058 -1.828 1.00 0.00 C ATOM 1202 C VAL B 39 -11.573 -1.995 -0.983 1.00 0.00 C ATOM 1203 O VAL B 39 -11.610 -2.495 0.140 1.00 0.00 O ATOM 1204 CB VAL B 39 -10.137 -3.482 -2.417 1.00 0.00 C ATOM 1205 CG1 VAL B 39 -9.760 -4.482 -1.333 1.00 0.00 C ATOM 1206 CG2 VAL B 39 -11.406 -3.930 -3.133 1.00 0.00 C ATOM 0 H VAL B 39 -9.139 -2.027 -0.091 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.393 -1.352 -2.654 1.00 0.00 H new ATOM 0 HB VAL B 39 -9.326 -3.444 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -9.649 -5.472 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -8.819 -4.182 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -10.542 -4.509 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -11.261 -4.932 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -12.237 -3.939 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.628 -3.239 -3.947 1.00 0.00 H new ATOM 1216 N VAL B 40 -12.592 -1.340 -1.510 1.00 0.00 N ATOM 1217 CA VAL B 40 -13.902 -1.331 -0.879 1.00 0.00 C ATOM 1218 C VAL B 40 -14.972 -1.749 -1.883 1.00 0.00 C ATOM 1219 O VAL B 40 -15.067 -1.186 -2.977 1.00 0.00 O ATOM 1220 CB VAL B 40 -14.244 0.050 -0.261 1.00 0.00 C ATOM 1221 CG1 VAL B 40 -14.072 1.169 -1.273 1.00 0.00 C ATOM 1222 CG2 VAL B 40 -15.657 0.053 0.307 1.00 0.00 C ATOM 0 H VAL B 40 -12.538 -0.805 -2.377 1.00 0.00 H new ATOM 0 HA VAL B 40 -13.877 -2.051 -0.061 1.00 0.00 H new ATOM 0 HB VAL B 40 -13.544 0.229 0.555 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -14.320 2.123 -0.807 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -13.038 1.192 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.734 0.997 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.875 1.031 0.735 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -16.370 -0.162 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -15.739 -0.709 1.082 1.00 0.00 H new ATOM 1232 N ILE B 41 -15.743 -2.765 -1.530 1.00 0.00 N ATOM 1233 CA ILE B 41 -16.822 -3.230 -2.387 1.00 0.00 C ATOM 1234 C ILE B 41 -18.172 -3.069 -1.692 1.00 0.00 C ATOM 1235 O ILE B 41 -18.374 -3.556 -0.573 1.00 0.00 O ATOM 1236 CB ILE B 41 -16.613 -4.698 -2.839 1.00 0.00 C ATOM 1237 CG1 ILE B 41 -17.796 -5.172 -3.693 1.00 0.00 C ATOM 1238 CG2 ILE B 41 -16.407 -5.619 -1.643 1.00 0.00 C ATOM 1239 CD1 ILE B 41 -17.600 -6.548 -4.295 1.00 0.00 C ATOM 0 H ILE B 41 -15.642 -3.283 -0.657 1.00 0.00 H new ATOM 0 HA ILE B 41 -16.813 -2.609 -3.283 1.00 0.00 H new ATOM 0 HB ILE B 41 -15.710 -4.737 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -18.696 -5.179 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -17.963 -4.454 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -16.263 -6.642 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -15.527 -5.299 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -17.283 -5.576 -0.996 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -18.477 -6.815 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -16.719 -6.542 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -17.463 -7.278 -3.497 1.00 0.00 H new ATOM 1251 N ALA B 42 -19.076 -2.362 -2.356 1.00 0.00 N ATOM 1252 CA ALA B 42 -20.416 -2.122 -1.849 1.00 0.00 C ATOM 1253 C ALA B 42 -21.279 -1.503 -2.947 1.00 0.00 C ATOM 1254 O ALA B 42 -21.508 -0.277 -2.908 1.00 0.00 O ATOM 1255 CB ALA B 42 -20.375 -1.217 -0.623 1.00 0.00 C ATOM 1256 OXT ALA B 42 -21.697 -2.243 -3.859 1.00 0.00 O ATOM 0 H ALA B 42 -18.897 -1.937 -3.266 1.00 0.00 H new ATOM 0 HA ALA B 42 -20.855 -3.073 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -21.389 -1.050 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -19.783 -1.691 0.160 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -19.924 -0.262 -0.891 1.00 0.00 H new ATOM 1394 N TYR C 10 -20.230 -8.708 11.741 1.00 0.00 N ATOM 1395 CA TYR C 10 -19.034 -8.311 11.027 1.00 0.00 C ATOM 1396 C TYR C 10 -17.924 -9.306 11.318 1.00 0.00 C ATOM 1397 O TYR C 10 -17.918 -9.947 12.371 1.00 0.00 O ATOM 1398 CB TYR C 10 -18.599 -6.893 11.430 1.00 0.00 C ATOM 1399 CG TYR C 10 -18.187 -6.755 12.881 1.00 0.00 C ATOM 1400 CD1 TYR C 10 -19.134 -6.542 13.875 1.00 0.00 C ATOM 1401 CD2 TYR C 10 -16.850 -6.834 13.256 1.00 0.00 C ATOM 1402 CE1 TYR C 10 -18.763 -6.413 15.198 1.00 0.00 C ATOM 1403 CE2 TYR C 10 -16.472 -6.708 14.579 1.00 0.00 C ATOM 1404 CZ TYR C 10 -17.432 -6.497 15.545 1.00 0.00 C ATOM 1405 OH TYR C 10 -17.062 -6.369 16.862 1.00 0.00 O ATOM 0 HA TYR C 10 -19.246 -8.304 9.958 1.00 0.00 H new ATOM 0 HB2 TYR C 10 -17.765 -6.588 10.797 1.00 0.00 H new ATOM 0 HB3 TYR C 10 -19.419 -6.204 11.230 1.00 0.00 H new ATOM 0 HD1 TYR C 10 -20.178 -6.476 13.608 1.00 0.00 H new ATOM 0 HD2 TYR C 10 -16.095 -6.996 12.501 1.00 0.00 H new ATOM 0 HE1 TYR C 10 -19.512 -6.247 15.958 1.00 0.00 H new ATOM 0 HE2 TYR C 10 -15.430 -6.775 14.855 1.00 0.00 H new ATOM 0 HH TYR C 10 -16.089 -6.454 16.938 1.00 0.00 H new ATOM 1415 N GLU C 11 -17.000 -9.441 10.387 1.00 0.00 N ATOM 1416 CA GLU C 11 -15.883 -10.349 10.556 1.00 0.00 C ATOM 1417 C GLU C 11 -14.586 -9.652 10.177 1.00 0.00 C ATOM 1418 O GLU C 11 -14.490 -9.041 9.110 1.00 0.00 O ATOM 1419 CB GLU C 11 -16.097 -11.595 9.697 1.00 0.00 C ATOM 1420 CG GLU C 11 -15.051 -12.676 9.898 1.00 0.00 C ATOM 1421 CD GLU C 11 -15.348 -13.914 9.080 1.00 0.00 C ATOM 1422 OE1 GLU C 11 -16.011 -14.830 9.605 1.00 0.00 O ATOM 1423 OE2 GLU C 11 -14.919 -13.967 7.911 1.00 0.00 O ATOM 0 H GLU C 11 -17.001 -8.932 9.503 1.00 0.00 H new ATOM 0 HA GLU C 11 -15.818 -10.653 11.601 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -17.080 -12.011 9.918 1.00 0.00 H new ATOM 0 HB3 GLU C 11 -16.104 -11.302 8.647 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -14.071 -12.287 9.623 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -15.004 -12.942 10.954 1.00 0.00 H new ATOM 1430 N VAL C 12 -13.600 -9.724 11.057 1.00 0.00 N ATOM 1431 CA VAL C 12 -12.307 -9.113 10.798 1.00 0.00 C ATOM 1432 C VAL C 12 -11.276 -10.169 10.415 1.00 0.00 C ATOM 1433 O VAL C 12 -11.030 -11.124 11.152 1.00 0.00 O ATOM 1434 CB VAL C 12 -11.803 -8.286 12.009 1.00 0.00 C ATOM 1435 CG1 VAL C 12 -12.725 -7.103 12.267 1.00 0.00 C ATOM 1436 CG2 VAL C 12 -11.683 -9.143 13.263 1.00 0.00 C ATOM 0 H VAL C 12 -13.671 -10.199 11.957 1.00 0.00 H new ATOM 0 HA VAL C 12 -12.439 -8.428 9.961 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.809 -7.914 11.762 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -12.356 -6.534 13.120 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -12.749 -6.462 11.386 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -13.731 -7.465 12.480 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -11.327 -8.529 14.090 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -12.659 -9.560 13.514 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -10.977 -9.954 13.083 1.00 0.00 H new ATOM 1446 N HIS C 13 -10.694 -10.008 9.242 1.00 0.00 N ATOM 1447 CA HIS C 13 -9.694 -10.938 8.754 1.00 0.00 C ATOM 1448 C HIS C 13 -8.349 -10.244 8.631 1.00 0.00 C ATOM 1449 O HIS C 13 -8.267 -9.119 8.146 1.00 0.00 O ATOM 1450 CB HIS C 13 -10.118 -11.522 7.398 1.00 0.00 C ATOM 1451 CG HIS C 13 -9.122 -12.480 6.807 1.00 0.00 C ATOM 1452 ND1 HIS C 13 -9.081 -13.818 7.129 1.00 0.00 N ATOM 1453 CD2 HIS C 13 -8.126 -12.285 5.907 1.00 0.00 C ATOM 1454 CE1 HIS C 13 -8.110 -14.403 6.459 1.00 0.00 C ATOM 1455 NE2 HIS C 13 -7.515 -13.498 5.711 1.00 0.00 N ATOM 0 H HIS C 13 -10.898 -9.237 8.606 1.00 0.00 H new ATOM 0 HA HIS C 13 -9.603 -11.756 9.469 1.00 0.00 H new ATOM 0 HB2 HIS C 13 -11.073 -12.034 7.517 1.00 0.00 H new ATOM 0 HB3 HIS C 13 -10.280 -10.704 6.696 1.00 0.00 H new ATOM 0 HD2 HIS C 13 -7.863 -11.351 5.434 1.00 0.00 H new ATOM 0 HE1 HIS C 13 -7.846 -15.449 6.514 1.00 0.00 H new ATOM 0 HE2 HIS C 13 -6.727 -13.670 5.087 1.00 0.00 H new ATOM 1464 N HIS C 14 -7.305 -10.911 9.081 1.00 0.00 N ATOM 1465 CA HIS C 14 -5.956 -10.390 8.948 1.00 0.00 C ATOM 1466 C HIS C 14 -4.990 -11.522 8.640 1.00 0.00 C ATOM 1467 O HIS C 14 -5.078 -12.601 9.222 1.00 0.00 O ATOM 1468 CB HIS C 14 -5.522 -9.619 10.207 1.00 0.00 C ATOM 1469 CG HIS C 14 -5.813 -10.315 11.509 1.00 0.00 C ATOM 1470 ND1 HIS C 14 -6.667 -9.799 12.460 1.00 0.00 N ATOM 1471 CD2 HIS C 14 -5.351 -11.481 12.021 1.00 0.00 C ATOM 1472 CE1 HIS C 14 -6.717 -10.614 13.496 1.00 0.00 C ATOM 1473 NE2 HIS C 14 -5.930 -11.641 13.254 1.00 0.00 N ATOM 0 H HIS C 14 -7.364 -11.818 9.544 1.00 0.00 H new ATOM 0 HA HIS C 14 -5.943 -9.683 8.118 1.00 0.00 H new ATOM 0 HB2 HIS C 14 -4.451 -9.427 10.146 1.00 0.00 H new ATOM 0 HB3 HIS C 14 -6.020 -8.649 10.211 1.00 0.00 H new ATOM 0 HD2 HIS C 14 -4.656 -12.158 11.547 1.00 0.00 H new ATOM 0 HE1 HIS C 14 -7.304 -10.464 14.390 1.00 0.00 H new ATOM 0 HE2 HIS C 14 -5.776 -12.429 13.883 1.00 0.00 H new ATOM 1482 N GLN C 15 -4.092 -11.277 7.705 1.00 0.00 N ATOM 1483 CA GLN C 15 -3.136 -12.284 7.285 1.00 0.00 C ATOM 1484 C GLN C 15 -1.779 -11.644 7.032 1.00 0.00 C ATOM 1485 O GLN C 15 -1.699 -10.512 6.556 1.00 0.00 O ATOM 1486 CB GLN C 15 -3.641 -12.997 6.027 1.00 0.00 C ATOM 1487 CG GLN C 15 -3.787 -12.085 4.816 1.00 0.00 C ATOM 1488 CD GLN C 15 -4.573 -12.726 3.690 1.00 0.00 C ATOM 1489 OE1 GLN C 15 -5.473 -13.533 3.926 1.00 0.00 O ATOM 1490 NE2 GLN C 15 -4.232 -12.385 2.461 1.00 0.00 N ATOM 0 H GLN C 15 -4.004 -10.384 7.219 1.00 0.00 H new ATOM 0 HA GLN C 15 -3.026 -13.023 8.079 1.00 0.00 H new ATOM 0 HB2 GLN C 15 -2.954 -13.806 5.779 1.00 0.00 H new ATOM 0 HB3 GLN C 15 -4.607 -13.454 6.243 1.00 0.00 H new ATOM 0 HG2 GLN C 15 -4.282 -11.162 5.119 1.00 0.00 H new ATOM 0 HG3 GLN C 15 -2.797 -11.811 4.452 1.00 0.00 H new ATOM 0 HE21 GLN C 15 -3.480 -11.712 2.308 1.00 0.00 H new ATOM 0 HE22 GLN C 15 -4.720 -12.794 1.664 1.00 0.00 H new ATOM 1499 N LYS C 16 -0.721 -12.361 7.372 1.00 0.00 N ATOM 1500 CA LYS C 16 0.631 -11.857 7.194 1.00 0.00 C ATOM 1501 C LYS C 16 1.557 -12.964 6.712 1.00 0.00 C ATOM 1502 O LYS C 16 1.611 -14.044 7.299 1.00 0.00 O ATOM 1503 CB LYS C 16 1.153 -11.253 8.501 1.00 0.00 C ATOM 1504 CG LYS C 16 0.953 -12.148 9.713 1.00 0.00 C ATOM 1505 CD LYS C 16 1.459 -11.488 10.983 1.00 0.00 C ATOM 1506 CE LYS C 16 1.107 -12.309 12.211 1.00 0.00 C ATOM 1507 NZ LYS C 16 1.717 -13.665 12.177 1.00 0.00 N ATOM 0 H LYS C 16 -0.772 -13.297 7.774 1.00 0.00 H new ATOM 0 HA LYS C 16 0.609 -11.075 6.435 1.00 0.00 H new ATOM 0 HB2 LYS C 16 2.216 -11.037 8.392 1.00 0.00 H new ATOM 0 HB3 LYS C 16 0.651 -10.302 8.677 1.00 0.00 H new ATOM 0 HG2 LYS C 16 -0.106 -12.384 9.821 1.00 0.00 H new ATOM 0 HG3 LYS C 16 1.476 -13.092 9.559 1.00 0.00 H new ATOM 0 HD2 LYS C 16 2.540 -11.363 10.924 1.00 0.00 H new ATOM 0 HD3 LYS C 16 1.028 -10.491 11.074 1.00 0.00 H new ATOM 0 HE2 LYS C 16 1.443 -11.784 13.105 1.00 0.00 H new ATOM 0 HE3 LYS C 16 0.023 -12.402 12.285 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 1.549 -14.144 13.085 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 1.289 -14.219 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 2.741 -13.581 12.014 1.00 0.00 H new ATOM 1521 N LEU C 17 2.269 -12.690 5.634 1.00 0.00 N ATOM 1522 CA LEU C 17 3.194 -13.650 5.056 1.00 0.00 C ATOM 1523 C LEU C 17 4.546 -12.992 4.818 1.00 0.00 C ATOM 1524 O LEU C 17 4.625 -11.926 4.205 1.00 0.00 O ATOM 1525 CB LEU C 17 2.641 -14.200 3.735 1.00 0.00 C ATOM 1526 CG LEU C 17 1.304 -14.941 3.840 1.00 0.00 C ATOM 1527 CD1 LEU C 17 0.790 -15.311 2.457 1.00 0.00 C ATOM 1528 CD2 LEU C 17 1.449 -16.186 4.700 1.00 0.00 C ATOM 0 H LEU C 17 2.224 -11.801 5.136 1.00 0.00 H new ATOM 0 HA LEU C 17 3.317 -14.478 5.754 1.00 0.00 H new ATOM 0 HB2 LEU C 17 2.524 -13.371 3.037 1.00 0.00 H new ATOM 0 HB3 LEU C 17 3.379 -14.877 3.305 1.00 0.00 H new ATOM 0 HG LEU C 17 0.581 -14.277 4.313 1.00 0.00 H new ATOM 0 HD11 LEU C 17 -0.160 -15.837 2.551 1.00 0.00 H new ATOM 0 HD12 LEU C 17 0.647 -14.405 1.868 1.00 0.00 H new ATOM 0 HD13 LEU C 17 1.514 -15.957 1.960 1.00 0.00 H new ATOM 0 HD21 LEU C 17 0.489 -16.699 4.763 1.00 0.00 H new ATOM 0 HD22 LEU C 17 2.188 -16.852 4.254 1.00 0.00 H new ATOM 0 HD23 LEU C 17 1.774 -15.901 5.701 1.00 0.00 H new ATOM 1540 N VAL C 18 5.601 -13.615 5.318 1.00 0.00 N ATOM 1541 CA VAL C 18 6.950 -13.092 5.152 1.00 0.00 C ATOM 1542 C VAL C 18 7.870 -14.171 4.597 1.00 0.00 C ATOM 1543 O VAL C 18 8.021 -15.236 5.194 1.00 0.00 O ATOM 1544 CB VAL C 18 7.533 -12.561 6.483 1.00 0.00 C ATOM 1545 CG1 VAL C 18 8.933 -12.002 6.276 1.00 0.00 C ATOM 1546 CG2 VAL C 18 6.625 -11.501 7.090 1.00 0.00 C ATOM 0 H VAL C 18 5.550 -14.487 5.844 1.00 0.00 H new ATOM 0 HA VAL C 18 6.887 -12.259 4.451 1.00 0.00 H new ATOM 0 HB VAL C 18 7.595 -13.399 7.178 1.00 0.00 H new ATOM 0 HG11 VAL C 18 9.322 -11.635 7.226 1.00 0.00 H new ATOM 0 HG12 VAL C 18 9.586 -12.788 5.896 1.00 0.00 H new ATOM 0 HG13 VAL C 18 8.895 -11.183 5.558 1.00 0.00 H new ATOM 0 HG21 VAL C 18 7.057 -11.144 8.025 1.00 0.00 H new ATOM 0 HG22 VAL C 18 6.524 -10.667 6.395 1.00 0.00 H new ATOM 0 HG23 VAL C 18 5.643 -11.932 7.285 1.00 0.00 H new ATOM 1556 N PHE C 19 8.471 -13.892 3.452 1.00 0.00 N ATOM 1557 CA PHE C 19 9.368 -14.836 2.804 1.00 0.00 C ATOM 1558 C PHE C 19 10.726 -14.187 2.570 1.00 0.00 C ATOM 1559 O PHE C 19 10.802 -13.013 2.201 1.00 0.00 O ATOM 1560 CB PHE C 19 8.770 -15.309 1.475 1.00 0.00 C ATOM 1561 CG PHE C 19 9.635 -16.288 0.731 1.00 0.00 C ATOM 1562 CD1 PHE C 19 9.630 -17.632 1.068 1.00 0.00 C ATOM 1563 CD2 PHE C 19 10.457 -15.865 -0.303 1.00 0.00 C ATOM 1564 CE1 PHE C 19 10.424 -18.534 0.389 1.00 0.00 C ATOM 1565 CE2 PHE C 19 11.253 -16.763 -0.986 1.00 0.00 C ATOM 1566 CZ PHE C 19 11.238 -18.099 -0.638 1.00 0.00 C ATOM 0 H PHE C 19 8.353 -13.013 2.949 1.00 0.00 H new ATOM 0 HA PHE C 19 9.498 -15.701 3.454 1.00 0.00 H new ATOM 0 HB2 PHE C 19 7.801 -15.769 1.667 1.00 0.00 H new ATOM 0 HB3 PHE C 19 8.591 -14.442 0.840 1.00 0.00 H new ATOM 0 HD1 PHE C 19 8.997 -17.978 1.872 1.00 0.00 H new ATOM 0 HD2 PHE C 19 10.475 -14.821 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE C 19 10.409 -19.579 0.661 1.00 0.00 H new ATOM 0 HE2 PHE C 19 11.886 -16.421 -1.791 1.00 0.00 H new ATOM 0 HZ PHE C 19 11.862 -18.803 -1.168 1.00 0.00 H new ATOM 1576 N PHE C 20 11.792 -14.939 2.787 1.00 0.00 N ATOM 1577 CA PHE C 20 13.135 -14.421 2.587 1.00 0.00 C ATOM 1578 C PHE C 20 13.952 -15.338 1.682 1.00 0.00 C ATOM 1579 O PHE C 20 13.856 -16.564 1.761 1.00 0.00 O ATOM 1580 CB PHE C 20 13.846 -14.217 3.933 1.00 0.00 C ATOM 1581 CG PHE C 20 13.973 -15.467 4.765 1.00 0.00 C ATOM 1582 CD1 PHE C 20 15.098 -16.270 4.665 1.00 0.00 C ATOM 1583 CD2 PHE C 20 12.970 -15.835 5.647 1.00 0.00 C ATOM 1584 CE1 PHE C 20 15.219 -17.414 5.427 1.00 0.00 C ATOM 1585 CE2 PHE C 20 13.086 -16.980 6.412 1.00 0.00 C ATOM 1586 CZ PHE C 20 14.211 -17.771 6.301 1.00 0.00 C ATOM 0 H PHE C 20 11.754 -15.909 3.101 1.00 0.00 H new ATOM 0 HA PHE C 20 13.048 -13.453 2.093 1.00 0.00 H new ATOM 0 HB2 PHE C 20 14.842 -13.816 3.747 1.00 0.00 H new ATOM 0 HB3 PHE C 20 13.303 -13.466 4.507 1.00 0.00 H new ATOM 0 HD1 PHE C 20 15.889 -15.997 3.983 1.00 0.00 H new ATOM 0 HD2 PHE C 20 12.087 -15.220 5.738 1.00 0.00 H new ATOM 0 HE1 PHE C 20 16.102 -18.030 5.340 1.00 0.00 H new ATOM 0 HE2 PHE C 20 12.297 -17.255 7.096 1.00 0.00 H new ATOM 0 HZ PHE C 20 14.303 -18.667 6.896 1.00 0.00 H new ATOM 1703 N GLY C 29 20.329 -10.969 -1.336 1.00 0.00 N ATOM 1704 CA GLY C 29 19.214 -11.433 -0.544 1.00 0.00 C ATOM 1705 C GLY C 29 18.027 -10.502 -0.612 1.00 0.00 C ATOM 1706 O GLY C 29 18.183 -9.287 -0.674 1.00 0.00 O ATOM 0 HA2 GLY C 29 18.915 -12.423 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY C 29 19.529 -11.539 0.494 1.00 0.00 H new ATOM 1710 N ALA C 30 16.835 -11.072 -0.595 1.00 0.00 N ATOM 1711 CA ALA C 30 15.618 -10.282 -0.634 1.00 0.00 C ATOM 1712 C ALA C 30 14.589 -10.852 0.319 1.00 0.00 C ATOM 1713 O ALA C 30 14.383 -12.064 0.371 1.00 0.00 O ATOM 1714 CB ALA C 30 15.054 -10.224 -2.044 1.00 0.00 C ATOM 0 H ALA C 30 16.684 -12.080 -0.554 1.00 0.00 H new ATOM 0 HA ALA C 30 15.862 -9.267 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA C 30 14.142 -9.626 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA C 30 15.787 -9.770 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA C 30 14.827 -11.233 -2.387 1.00 0.00 H new ATOM 1720 N ILE C 31 13.957 -9.983 1.080 1.00 0.00 N ATOM 1721 CA ILE C 31 12.913 -10.398 1.996 1.00 0.00 C ATOM 1722 C ILE C 31 11.634 -9.616 1.723 1.00 0.00 C ATOM 1723 O ILE C 31 11.656 -8.390 1.586 1.00 0.00 O ATOM 1724 CB ILE C 31 13.351 -10.238 3.473 1.00 0.00 C ATOM 1725 CG1 ILE C 31 12.184 -10.540 4.422 1.00 0.00 C ATOM 1726 CG2 ILE C 31 13.914 -8.846 3.722 1.00 0.00 C ATOM 1727 CD1 ILE C 31 12.556 -10.477 5.890 1.00 0.00 C ATOM 0 H ILE C 31 14.148 -8.981 1.083 1.00 0.00 H new ATOM 0 HA ILE C 31 12.721 -11.458 1.829 1.00 0.00 H new ATOM 0 HB ILE C 31 14.142 -10.960 3.674 1.00 0.00 H new ATOM 0 HG12 ILE C 31 11.379 -9.830 4.230 1.00 0.00 H new ATOM 0 HG13 ILE C 31 11.794 -11.533 4.198 1.00 0.00 H new ATOM 0 HG21 ILE C 31 14.215 -8.757 4.766 1.00 0.00 H new ATOM 0 HG22 ILE C 31 14.779 -8.683 3.080 1.00 0.00 H new ATOM 0 HG23 ILE C 31 13.151 -8.100 3.499 1.00 0.00 H new ATOM 0 HD11 ILE C 31 11.679 -10.702 6.497 1.00 0.00 H new ATOM 0 HD12 ILE C 31 13.339 -11.206 6.099 1.00 0.00 H new ATOM 0 HD13 ILE C 31 12.918 -9.477 6.131 1.00 0.00 H new ATOM 1739 N ILE C 32 10.531 -10.339 1.608 1.00 0.00 N ATOM 1740 CA ILE C 32 9.245 -9.737 1.304 1.00 0.00 C ATOM 1741 C ILE C 32 8.251 -9.986 2.430 1.00 0.00 C ATOM 1742 O ILE C 32 8.121 -11.108 2.924 1.00 0.00 O ATOM 1743 CB ILE C 32 8.665 -10.282 -0.024 1.00 0.00 C ATOM 1744 CG1 ILE C 32 8.600 -11.813 -0.004 1.00 0.00 C ATOM 1745 CG2 ILE C 32 9.500 -9.803 -1.201 1.00 0.00 C ATOM 1746 CD1 ILE C 32 8.012 -12.416 -1.261 1.00 0.00 C ATOM 0 H ILE C 32 10.503 -11.352 1.722 1.00 0.00 H new ATOM 0 HA ILE C 32 9.409 -8.664 1.199 1.00 0.00 H new ATOM 0 HB ILE C 32 7.650 -9.900 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.605 -12.208 0.141 1.00 0.00 H new ATOM 0 HG13 ILE C 32 8.006 -12.131 0.853 1.00 0.00 H new ATOM 0 HG21 ILE C 32 9.080 -10.194 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE C 32 9.495 -8.713 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE C 32 10.525 -10.158 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE C 32 7.999 -13.502 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE C 32 6.994 -12.051 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.619 -12.130 -2.120 1.00 0.00 H new ATOM 1758 N GLY C 33 7.566 -8.934 2.848 1.00 0.00 N ATOM 1759 CA GLY C 33 6.554 -9.069 3.870 1.00 0.00 C ATOM 1760 C GLY C 33 5.232 -8.492 3.421 1.00 0.00 C ATOM 1761 O GLY C 33 5.171 -7.345 2.982 1.00 0.00 O ATOM 0 H GLY C 33 7.694 -7.986 2.495 1.00 0.00 H new ATOM 0 HA2 GLY C 33 6.426 -10.122 4.120 1.00 0.00 H new ATOM 0 HA3 GLY C 33 6.883 -8.564 4.778 1.00 0.00 H new ATOM 1765 N LEU C 34 4.177 -9.282 3.523 1.00 0.00 N ATOM 1766 CA LEU C 34 2.856 -8.859 3.083 1.00 0.00 C ATOM 1767 C LEU C 34 1.842 -9.040 4.203 1.00 0.00 C ATOM 1768 O LEU C 34 1.833 -10.071 4.874 1.00 0.00 O ATOM 1769 CB LEU C 34 2.416 -9.671 1.861 1.00 0.00 C ATOM 1770 CG LEU C 34 3.353 -9.609 0.652 1.00 0.00 C ATOM 1771 CD1 LEU C 34 2.857 -10.530 -0.448 1.00 0.00 C ATOM 1772 CD2 LEU C 34 3.474 -8.186 0.132 1.00 0.00 C ATOM 0 H LEU C 34 4.209 -10.226 3.909 1.00 0.00 H new ATOM 0 HA LEU C 34 2.907 -7.804 2.813 1.00 0.00 H new ATOM 0 HB2 LEU C 34 2.307 -10.713 2.160 1.00 0.00 H new ATOM 0 HB3 LEU C 34 1.430 -9.323 1.552 1.00 0.00 H new ATOM 0 HG LEU C 34 4.341 -9.941 0.971 1.00 0.00 H new ATOM 0 HD11 LEU C 34 3.533 -10.475 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU C 34 2.823 -11.554 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU C 34 1.858 -10.223 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU C 34 4.145 -8.168 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU C 34 2.491 -7.823 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU C 34 3.873 -7.544 0.917 1.00 0.00 H new ATOM 1784 N MET C 35 0.997 -8.041 4.404 1.00 0.00 N ATOM 1785 CA MET C 35 -0.033 -8.111 5.427 1.00 0.00 C ATOM 1786 C MET C 35 -1.333 -7.510 4.906 1.00 0.00 C ATOM 1787 O MET C 35 -1.354 -6.383 4.411 1.00 0.00 O ATOM 1788 CB MET C 35 0.420 -7.382 6.694 1.00 0.00 C ATOM 1789 CG MET C 35 -0.538 -7.543 7.864 1.00 0.00 C ATOM 1790 SD MET C 35 0.007 -6.660 9.342 1.00 0.00 S ATOM 1791 CE MET C 35 1.592 -7.436 9.646 1.00 0.00 C ATOM 0 H MET C 35 1.005 -7.171 3.871 1.00 0.00 H new ATOM 0 HA MET C 35 -0.206 -9.158 5.675 1.00 0.00 H new ATOM 0 HB2 MET C 35 1.402 -7.754 6.986 1.00 0.00 H new ATOM 0 HB3 MET C 35 0.534 -6.321 6.472 1.00 0.00 H new ATOM 0 HG2 MET C 35 -1.524 -7.181 7.573 1.00 0.00 H new ATOM 0 HG3 MET C 35 -0.644 -8.602 8.098 1.00 0.00 H new ATOM 0 HE1 MET C 35 1.679 -7.684 10.704 1.00 0.00 H new ATOM 0 HE2 MET C 35 1.671 -8.347 9.052 1.00 0.00 H new ATOM 0 HE3 MET C 35 2.392 -6.750 9.367 1.00 0.00 H new ATOM 1801 N VAL C 36 -2.408 -8.273 5.000 1.00 0.00 N ATOM 1802 CA VAL C 36 -3.709 -7.821 4.530 1.00 0.00 C ATOM 1803 C VAL C 36 -4.738 -7.913 5.646 1.00 0.00 C ATOM 1804 O VAL C 36 -4.812 -8.919 6.354 1.00 0.00 O ATOM 1805 CB VAL C 36 -4.202 -8.644 3.316 1.00 0.00 C ATOM 1806 CG1 VAL C 36 -5.575 -8.170 2.854 1.00 0.00 C ATOM 1807 CG2 VAL C 36 -3.201 -8.570 2.174 1.00 0.00 C ATOM 0 H VAL C 36 -2.407 -9.212 5.399 1.00 0.00 H new ATOM 0 HA VAL C 36 -3.593 -6.783 4.217 1.00 0.00 H new ATOM 0 HB VAL C 36 -4.291 -9.684 3.630 1.00 0.00 H new ATOM 0 HG11 VAL C 36 -5.897 -8.766 2.000 1.00 0.00 H new ATOM 0 HG12 VAL C 36 -6.292 -8.284 3.667 1.00 0.00 H new ATOM 0 HG13 VAL C 36 -5.519 -7.121 2.564 1.00 0.00 H new ATOM 0 HG21 VAL C 36 -3.567 -9.155 1.331 1.00 0.00 H new ATOM 0 HG22 VAL C 36 -3.075 -7.532 1.867 1.00 0.00 H new ATOM 0 HG23 VAL C 36 -2.242 -8.970 2.504 1.00 0.00 H new ATOM 1817 N GLY C 37 -5.513 -6.854 5.808 1.00 0.00 N ATOM 1818 CA GLY C 37 -6.583 -6.854 6.776 1.00 0.00 C ATOM 1819 C GLY C 37 -7.884 -6.403 6.152 1.00 0.00 C ATOM 1820 O GLY C 37 -7.931 -5.373 5.484 1.00 0.00 O ATOM 0 H GLY C 37 -5.417 -5.987 5.280 1.00 0.00 H new ATOM 0 HA2 GLY C 37 -6.703 -7.855 7.190 1.00 0.00 H new ATOM 0 HA3 GLY C 37 -6.327 -6.195 7.606 1.00 0.00 H new ATOM 1824 N GLY C 38 -8.937 -7.167 6.362 1.00 0.00 N ATOM 1825 CA GLY C 38 -10.215 -6.837 5.778 1.00 0.00 C ATOM 1826 C GLY C 38 -11.352 -7.030 6.751 1.00 0.00 C ATOM 1827 O GLY C 38 -11.281 -7.881 7.637 1.00 0.00 O ATOM 0 H GLY C 38 -8.931 -8.015 6.929 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -10.201 -5.801 5.439 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -10.382 -7.459 4.898 1.00 0.00 H new ATOM 1831 N VAL C 39 -12.400 -6.240 6.592 1.00 0.00 N ATOM 1832 CA VAL C 39 -13.549 -6.311 7.480 1.00 0.00 C ATOM 1833 C VAL C 39 -14.824 -6.518 6.676 1.00 0.00 C ATOM 1834 O VAL C 39 -15.163 -5.707 5.812 1.00 0.00 O ATOM 1835 CB VAL C 39 -13.693 -5.034 8.341 1.00 0.00 C ATOM 1836 CG1 VAL C 39 -14.826 -5.185 9.346 1.00 0.00 C ATOM 1837 CG2 VAL C 39 -12.391 -4.706 9.056 1.00 0.00 C ATOM 0 H VAL C 39 -12.479 -5.540 5.854 1.00 0.00 H new ATOM 0 HA VAL C 39 -13.388 -7.157 8.148 1.00 0.00 H new ATOM 0 HB VAL C 39 -13.932 -4.207 7.672 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -14.909 -4.275 9.940 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -15.762 -5.358 8.815 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -14.619 -6.030 10.003 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -12.521 -3.804 9.654 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -12.114 -5.536 9.707 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -11.603 -4.543 8.321 1.00 0.00 H new ATOM 1847 N VAL C 40 -15.507 -7.616 6.948 1.00 0.00 N ATOM 1848 CA VAL C 40 -16.779 -7.909 6.309 1.00 0.00 C ATOM 1849 C VAL C 40 -17.920 -7.427 7.196 1.00 0.00 C ATOM 1850 O VAL C 40 -18.206 -8.030 8.226 1.00 0.00 O ATOM 1851 CB VAL C 40 -16.937 -9.423 6.045 1.00 0.00 C ATOM 1852 CG1 VAL C 40 -18.255 -9.722 5.347 1.00 0.00 C ATOM 1853 CG2 VAL C 40 -15.767 -9.952 5.228 1.00 0.00 C ATOM 0 H VAL C 40 -15.199 -8.325 7.613 1.00 0.00 H new ATOM 0 HA VAL C 40 -16.806 -7.389 5.351 1.00 0.00 H new ATOM 0 HB VAL C 40 -16.942 -9.932 7.009 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -18.340 -10.795 5.174 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -19.082 -9.389 5.974 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -18.289 -9.196 4.393 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -15.898 -11.020 5.054 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -15.726 -9.431 4.272 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -14.838 -9.785 5.773 1.00 0.00 H new ATOM 1863 N ILE C 41 -18.555 -6.335 6.799 1.00 0.00 N ATOM 1864 CA ILE C 41 -19.622 -5.735 7.588 1.00 0.00 C ATOM 1865 C ILE C 41 -20.980 -6.010 6.952 1.00 0.00 C ATOM 1866 O ILE C 41 -21.117 -5.958 5.730 1.00 0.00 O ATOM 1867 CB ILE C 41 -19.427 -4.205 7.713 1.00 0.00 C ATOM 1868 CG1 ILE C 41 -18.041 -3.890 8.279 1.00 0.00 C ATOM 1869 CG2 ILE C 41 -20.510 -3.594 8.590 1.00 0.00 C ATOM 1870 CD1 ILE C 41 -17.728 -2.409 8.339 1.00 0.00 C ATOM 0 H ILE C 41 -18.349 -5.843 5.930 1.00 0.00 H new ATOM 0 HA ILE C 41 -19.586 -6.183 8.581 1.00 0.00 H new ATOM 0 HB ILE C 41 -19.505 -3.767 6.718 1.00 0.00 H new ATOM 0 HG12 ILE C 41 -17.965 -4.309 9.282 1.00 0.00 H new ATOM 0 HG13 ILE C 41 -17.288 -4.387 7.668 1.00 0.00 H new ATOM 0 HG21 ILE C 41 -20.354 -2.518 8.664 1.00 0.00 H new ATOM 0 HG22 ILE C 41 -21.488 -3.789 8.150 1.00 0.00 H new ATOM 0 HG23 ILE C 41 -20.465 -4.037 9.585 1.00 0.00 H new ATOM 0 HD11 ILE C 41 -16.729 -2.265 8.751 1.00 0.00 H new ATOM 0 HD12 ILE C 41 -17.771 -1.987 7.335 1.00 0.00 H new ATOM 0 HD13 ILE C 41 -18.458 -1.908 8.974 1.00 0.00 H new ATOM 2341 N ALA D 30 -21.099 -3.962 3.819 1.00 0.00 N ATOM 2342 CA ALA D 30 -19.942 -3.377 3.156 1.00 0.00 C ATOM 2343 C ALA D 30 -18.685 -4.172 3.480 1.00 0.00 C ATOM 2344 O ALA D 30 -18.483 -4.587 4.620 1.00 0.00 O ATOM 2345 CB ALA D 30 -19.766 -1.921 3.569 1.00 0.00 C ATOM 0 HA ALA D 30 -20.110 -3.413 2.080 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -18.896 -1.502 3.063 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -20.655 -1.354 3.292 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -19.621 -1.864 4.648 1.00 0.00 H new ATOM 2351 N ILE D 31 -17.848 -4.396 2.479 1.00 0.00 N ATOM 2352 CA ILE D 31 -16.615 -5.142 2.683 1.00 0.00 C ATOM 2353 C ILE D 31 -15.411 -4.308 2.270 1.00 0.00 C ATOM 2354 O ILE D 31 -15.321 -3.852 1.126 1.00 0.00 O ATOM 2355 CB ILE D 31 -16.610 -6.471 1.895 1.00 0.00 C ATOM 2356 CG1 ILE D 31 -17.822 -7.324 2.282 1.00 0.00 C ATOM 2357 CG2 ILE D 31 -15.313 -7.235 2.147 1.00 0.00 C ATOM 2358 CD1 ILE D 31 -17.917 -8.628 1.521 1.00 0.00 C ATOM 0 H ILE D 31 -17.998 -4.074 1.523 1.00 0.00 H new ATOM 0 HA ILE D 31 -16.554 -5.373 3.746 1.00 0.00 H new ATOM 0 HB ILE D 31 -16.673 -6.245 0.831 1.00 0.00 H new ATOM 0 HG12 ILE D 31 -17.777 -7.539 3.350 1.00 0.00 H new ATOM 0 HG13 ILE D 31 -18.731 -6.747 2.111 1.00 0.00 H new ATOM 0 HG21 ILE D 31 -15.326 -8.169 1.585 1.00 0.00 H new ATOM 0 HG22 ILE D 31 -14.466 -6.629 1.826 1.00 0.00 H new ATOM 0 HG23 ILE D 31 -15.220 -7.453 3.211 1.00 0.00 H new ATOM 0 HD11 ILE D 31 -18.800 -9.177 1.849 1.00 0.00 H new ATOM 0 HD12 ILE D 31 -17.994 -8.422 0.454 1.00 0.00 H new ATOM 0 HD13 ILE D 31 -17.026 -9.226 1.712 1.00 0.00 H new ATOM 2370 N ILE D 32 -14.495 -4.105 3.204 1.00 0.00 N ATOM 2371 CA ILE D 32 -13.281 -3.352 2.929 1.00 0.00 C ATOM 2372 C ILE D 32 -12.053 -4.236 3.106 1.00 0.00 C ATOM 2373 O ILE D 32 -12.083 -5.206 3.866 1.00 0.00 O ATOM 2374 CB ILE D 32 -13.160 -2.093 3.830 1.00 0.00 C ATOM 2375 CG1 ILE D 32 -13.105 -2.461 5.320 1.00 0.00 C ATOM 2376 CG2 ILE D 32 -14.315 -1.142 3.568 1.00 0.00 C ATOM 2377 CD1 ILE D 32 -11.701 -2.691 5.850 1.00 0.00 C ATOM 0 H ILE D 32 -14.569 -4.452 4.160 1.00 0.00 H new ATOM 0 HA ILE D 32 -13.339 -3.016 1.894 1.00 0.00 H new ATOM 0 HB ILE D 32 -12.223 -1.598 3.576 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -13.574 -1.664 5.898 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -13.696 -3.363 5.483 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -14.216 -0.265 4.207 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -14.302 -0.833 2.523 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -15.257 -1.645 3.786 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -11.749 -2.946 6.909 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -11.234 -3.508 5.300 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -11.111 -1.784 5.722 1.00 0.00 H new ATOM 2389 N GLY D 33 -10.988 -3.905 2.395 1.00 0.00 N ATOM 2390 CA GLY D 33 -9.741 -4.622 2.539 1.00 0.00 C ATOM 2391 C GLY D 33 -8.544 -3.706 2.400 1.00 0.00 C ATOM 2392 O GLY D 33 -8.465 -2.916 1.458 1.00 0.00 O ATOM 0 H GLY D 33 -10.966 -3.145 1.715 1.00 0.00 H new ATOM 0 HA2 GLY D 33 -9.713 -5.110 3.513 1.00 0.00 H new ATOM 0 HA3 GLY D 33 -9.686 -5.409 1.787 1.00 0.00 H new ATOM 2396 N LEU D 34 -7.624 -3.794 3.348 1.00 0.00 N ATOM 2397 CA LEU D 34 -6.404 -3.004 3.313 1.00 0.00 C ATOM 2398 C LEU D 34 -5.207 -3.914 3.075 1.00 0.00 C ATOM 2399 O LEU D 34 -5.000 -4.884 3.804 1.00 0.00 O ATOM 2400 CB LEU D 34 -6.228 -2.233 4.625 1.00 0.00 C ATOM 2401 CG LEU D 34 -7.344 -1.241 4.960 1.00 0.00 C ATOM 2402 CD1 LEU D 34 -7.100 -0.609 6.321 1.00 0.00 C ATOM 2403 CD2 LEU D 34 -7.446 -0.169 3.886 1.00 0.00 C ATOM 0 H LEU D 34 -7.701 -4.410 4.157 1.00 0.00 H new ATOM 0 HA LEU D 34 -6.474 -2.285 2.497 1.00 0.00 H new ATOM 0 HB2 LEU D 34 -6.147 -2.952 5.441 1.00 0.00 H new ATOM 0 HB3 LEU D 34 -5.284 -1.690 4.584 1.00 0.00 H new ATOM 0 HG LEU D 34 -8.289 -1.783 4.994 1.00 0.00 H new ATOM 0 HD11 LEU D 34 -7.902 0.094 6.545 1.00 0.00 H new ATOM 0 HD12 LEU D 34 -7.076 -1.387 7.084 1.00 0.00 H new ATOM 0 HD13 LEU D 34 -6.147 -0.081 6.311 1.00 0.00 H new ATOM 0 HD21 LEU D 34 -8.245 0.527 4.141 1.00 0.00 H new ATOM 0 HD22 LEU D 34 -6.501 0.371 3.820 1.00 0.00 H new ATOM 0 HD23 LEU D 34 -7.665 -0.636 2.926 1.00 0.00 H new ATOM 2415 N MET D 35 -4.427 -3.603 2.055 1.00 0.00 N ATOM 2416 CA MET D 35 -3.292 -4.432 1.682 1.00 0.00 C ATOM 2417 C MET D 35 -2.000 -3.637 1.774 1.00 0.00 C ATOM 2418 O MET D 35 -1.855 -2.600 1.129 1.00 0.00 O ATOM 2419 CB MET D 35 -3.470 -4.959 0.255 1.00 0.00 C ATOM 2420 CG MET D 35 -4.724 -5.796 0.062 1.00 0.00 C ATOM 2421 SD MET D 35 -4.956 -6.327 -1.646 1.00 0.00 S ATOM 2422 CE MET D 35 -5.178 -4.750 -2.467 1.00 0.00 C ATOM 0 H MET D 35 -4.559 -2.780 1.468 1.00 0.00 H new ATOM 0 HA MET D 35 -3.240 -5.274 2.373 1.00 0.00 H new ATOM 0 HB2 MET D 35 -3.499 -4.114 -0.433 1.00 0.00 H new ATOM 0 HB3 MET D 35 -2.600 -5.558 -0.012 1.00 0.00 H new ATOM 0 HG2 MET D 35 -4.672 -6.674 0.706 1.00 0.00 H new ATOM 0 HG3 MET D 35 -5.593 -5.219 0.379 1.00 0.00 H new ATOM 0 HE1 MET D 35 -5.689 -4.903 -3.417 1.00 0.00 H new ATOM 0 HE2 MET D 35 -5.775 -4.092 -1.836 1.00 0.00 H new ATOM 0 HE3 MET D 35 -4.205 -4.294 -2.648 1.00 0.00 H new ATOM 2432 N VAL D 36 -1.066 -4.118 2.575 1.00 0.00 N ATOM 2433 CA VAL D 36 0.225 -3.466 2.706 1.00 0.00 C ATOM 2434 C VAL D 36 1.349 -4.490 2.582 1.00 0.00 C ATOM 2435 O VAL D 36 1.218 -5.629 3.036 1.00 0.00 O ATOM 2436 CB VAL D 36 0.341 -2.693 4.044 1.00 0.00 C ATOM 2437 CG1 VAL D 36 0.252 -3.634 5.237 1.00 0.00 C ATOM 2438 CG2 VAL D 36 1.626 -1.880 4.093 1.00 0.00 C ATOM 0 H VAL D 36 -1.177 -4.957 3.144 1.00 0.00 H new ATOM 0 HA VAL D 36 0.315 -2.740 1.898 1.00 0.00 H new ATOM 0 HB VAL D 36 -0.501 -2.003 4.100 1.00 0.00 H new ATOM 0 HG11 VAL D 36 0.337 -3.060 6.160 1.00 0.00 H new ATOM 0 HG12 VAL D 36 -0.706 -4.154 5.220 1.00 0.00 H new ATOM 0 HG13 VAL D 36 1.061 -4.363 5.187 1.00 0.00 H new ATOM 0 HG21 VAL D 36 1.683 -1.347 5.042 1.00 0.00 H new ATOM 0 HG22 VAL D 36 2.483 -2.547 3.999 1.00 0.00 H new ATOM 0 HG23 VAL D 36 1.634 -1.162 3.273 1.00 0.00 H new ATOM 2448 N GLY D 37 2.428 -4.099 1.928 1.00 0.00 N ATOM 2449 CA GLY D 37 3.550 -4.987 1.753 1.00 0.00 C ATOM 2450 C GLY D 37 4.845 -4.237 1.540 1.00 0.00 C ATOM 2451 O GLY D 37 4.842 -3.113 1.035 1.00 0.00 O ATOM 0 H GLY D 37 2.546 -3.175 1.513 1.00 0.00 H new ATOM 0 HA2 GLY D 37 3.644 -5.628 2.629 1.00 0.00 H new ATOM 0 HA3 GLY D 37 3.365 -5.639 0.899 1.00 0.00 H new ATOM 2455 N GLY D 38 5.947 -4.852 1.926 1.00 0.00 N ATOM 2456 CA GLY D 38 7.242 -4.235 1.748 1.00 0.00 C ATOM 2457 C GLY D 38 8.273 -5.221 1.250 1.00 0.00 C ATOM 2458 O GLY D 38 8.214 -6.408 1.575 1.00 0.00 O ATOM 0 H GLY D 38 5.969 -5.774 2.362 1.00 0.00 H new ATOM 0 HA2 GLY D 38 7.157 -3.410 1.040 1.00 0.00 H new ATOM 0 HA3 GLY D 38 7.574 -3.809 2.695 1.00 0.00 H new ATOM 2462 N VAL D 39 9.207 -4.738 0.447 1.00 0.00 N ATOM 2463 CA VAL D 39 10.271 -5.578 -0.075 1.00 0.00 C ATOM 2464 C VAL D 39 11.603 -4.836 -0.069 1.00 0.00 C ATOM 2465 O VAL D 39 11.693 -3.691 -0.513 1.00 0.00 O ATOM 2466 CB VAL D 39 9.949 -6.067 -1.511 1.00 0.00 C ATOM 2467 CG1 VAL D 39 9.583 -4.902 -2.422 1.00 0.00 C ATOM 2468 CG2 VAL D 39 11.120 -6.848 -2.094 1.00 0.00 C ATOM 0 H VAL D 39 9.249 -3.766 0.142 1.00 0.00 H new ATOM 0 HA VAL D 39 10.348 -6.448 0.578 1.00 0.00 H new ATOM 0 HB VAL D 39 9.087 -6.731 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL D 39 9.363 -5.277 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL D 39 8.706 -4.391 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL D 39 10.418 -4.203 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL D 39 10.870 -7.180 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL D 39 12.002 -6.208 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL D 39 11.327 -7.715 -1.467 1.00 0.00 H new ATOM 2478 N VAL D 40 12.625 -5.476 0.475 1.00 0.00 N ATOM 2479 CA VAL D 40 13.977 -4.947 0.413 1.00 0.00 C ATOM 2480 C VAL D 40 14.931 -6.001 -0.143 1.00 0.00 C ATOM 2481 O VAL D 40 14.985 -7.129 0.354 1.00 0.00 O ATOM 2482 CB VAL D 40 14.468 -4.436 1.792 1.00 0.00 C ATOM 2483 CG1 VAL D 40 14.307 -5.497 2.869 1.00 0.00 C ATOM 2484 CG2 VAL D 40 15.915 -3.975 1.711 1.00 0.00 C ATOM 0 H VAL D 40 12.543 -6.366 0.966 1.00 0.00 H new ATOM 0 HA VAL D 40 13.964 -4.089 -0.259 1.00 0.00 H new ATOM 0 HB VAL D 40 13.846 -3.584 2.068 1.00 0.00 H new ATOM 0 HG11 VAL D 40 14.661 -5.104 3.822 1.00 0.00 H new ATOM 0 HG12 VAL D 40 13.255 -5.770 2.957 1.00 0.00 H new ATOM 0 HG13 VAL D 40 14.889 -6.379 2.601 1.00 0.00 H new ATOM 0 HG21 VAL D 40 16.239 -3.620 2.689 1.00 0.00 H new ATOM 0 HG22 VAL D 40 16.545 -4.808 1.400 1.00 0.00 H new ATOM 0 HG23 VAL D 40 15.999 -3.166 0.986 1.00 0.00 H new ATOM 2494 N ILE D 41 15.648 -5.646 -1.200 1.00 0.00 N ATOM 2495 CA ILE D 41 16.621 -6.549 -1.795 1.00 0.00 C ATOM 2496 C ILE D 41 18.030 -5.965 -1.709 1.00 0.00 C ATOM 2497 O ILE D 41 18.283 -4.841 -2.155 1.00 0.00 O ATOM 2498 CB ILE D 41 16.264 -6.901 -3.262 1.00 0.00 C ATOM 2499 CG1 ILE D 41 17.335 -7.812 -3.875 1.00 0.00 C ATOM 2500 CG2 ILE D 41 16.082 -5.640 -4.100 1.00 0.00 C ATOM 2501 CD1 ILE D 41 16.987 -8.316 -5.259 1.00 0.00 C ATOM 0 H ILE D 41 15.574 -4.740 -1.662 1.00 0.00 H new ATOM 0 HA ILE D 41 16.593 -7.475 -1.221 1.00 0.00 H new ATOM 0 HB ILE D 41 15.316 -7.440 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE D 41 18.278 -7.268 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE D 41 17.493 -8.666 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE D 41 15.832 -5.917 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE D 41 15.277 -5.037 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE D 41 17.007 -5.063 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE D 41 17.791 -8.953 -5.627 1.00 0.00 H new ATOM 0 HD12 ILE D 41 16.061 -8.889 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE D 41 16.858 -7.469 -5.933 1.00 0.00 H new ATOM 2513 N ALA D 42 18.926 -6.734 -1.110 1.00 0.00 N ATOM 2514 CA ALA D 42 20.316 -6.346 -0.948 1.00 0.00 C ATOM 2515 C ALA D 42 21.128 -7.539 -0.454 1.00 0.00 C ATOM 2516 O ALA D 42 21.441 -7.590 0.754 1.00 0.00 O ATOM 2517 CB ALA D 42 20.440 -5.175 0.021 1.00 0.00 C ATOM 2518 OXT ALA D 42 21.413 -8.439 -1.269 1.00 0.00 O ATOM 0 H ALA D 42 18.706 -7.651 -0.720 1.00 0.00 H new ATOM 0 HA ALA D 42 20.707 -6.025 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA D 42 21.489 -4.901 0.128 1.00 0.00 H new ATOM 0 HB2 ALA D 42 19.880 -4.323 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA D 42 20.040 -5.463 0.993 1.00 0.00 H new