USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=6 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0.983 K(o=0.98,f=-5.8!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.164 K(o=-0.16,f=-3.6!) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00726) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 35 MET CE :methyl -154:sc= -0.228 (180deg=-1.11) USER MOD Single : C 10 TYR OH : rot 180:sc= 0 USER MOD Single : C 13 HIS : no HD1:sc= 0.925 K(o=0.92,f=-5.8!) USER MOD Single : C 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 15 GLN : amide:sc= -0.15 K(o=-0.15,f=-3.6!) USER MOD Single : C 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00977) USER MOD Single : C 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 35 MET CE :methyl -163:sc= -0.148 (180deg=-0.74) USER MOD ----------------------------------------------------------------- ATOM 132 N TYR A 10 22.264 6.772 -3.467 1.00 0.00 N ATOM 133 CA TYR A 10 21.094 5.925 -3.325 1.00 0.00 C ATOM 134 C TYR A 10 20.021 6.335 -4.322 1.00 0.00 C ATOM 135 O TYR A 10 19.948 7.497 -4.725 1.00 0.00 O ATOM 136 CB TYR A 10 20.543 5.990 -1.891 1.00 0.00 C ATOM 137 CG TYR A 10 20.044 7.356 -1.467 1.00 0.00 C ATOM 138 CD1 TYR A 10 20.921 8.322 -0.995 1.00 0.00 C ATOM 139 CD2 TYR A 10 18.693 7.674 -1.530 1.00 0.00 C ATOM 140 CE1 TYR A 10 20.469 9.565 -0.597 1.00 0.00 C ATOM 141 CE2 TYR A 10 18.233 8.916 -1.137 1.00 0.00 C ATOM 142 CZ TYR A 10 19.126 9.857 -0.672 1.00 0.00 C ATOM 143 OH TYR A 10 18.673 11.093 -0.274 1.00 0.00 O ATOM 0 HA TYR A 10 21.390 4.896 -3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 10 19.726 5.274 -1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.325 5.673 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.976 8.098 -0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.991 6.938 -1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 10 21.166 10.304 -0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 10 17.180 9.148 -1.194 1.00 0.00 H new ATOM 0 HH TYR A 10 17.701 11.138 -0.391 1.00 0.00 H new ATOM 153 N GLU A 11 19.197 5.381 -4.714 1.00 0.00 N ATOM 154 CA GLU A 11 18.113 5.639 -5.648 1.00 0.00 C ATOM 155 C GLU A 11 16.772 5.544 -4.943 1.00 0.00 C ATOM 156 O GLU A 11 16.561 4.654 -4.118 1.00 0.00 O ATOM 157 CB GLU A 11 18.140 4.642 -6.805 1.00 0.00 C ATOM 158 CG GLU A 11 19.334 4.782 -7.730 1.00 0.00 C ATOM 159 CD GLU A 11 19.276 3.799 -8.879 1.00 0.00 C ATOM 160 OE1 GLU A 11 20.271 3.082 -9.104 1.00 0.00 O ATOM 161 OE2 GLU A 11 18.219 3.727 -9.544 1.00 0.00 O ATOM 0 H GLU A 11 19.258 4.413 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 11 18.249 6.646 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.129 3.631 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.228 4.759 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.372 5.798 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.252 4.625 -7.164 1.00 0.00 H new ATOM 168 N VAL A 12 15.869 6.453 -5.263 1.00 0.00 N ATOM 169 CA VAL A 12 14.517 6.396 -4.736 1.00 0.00 C ATOM 170 C VAL A 12 13.542 6.108 -5.868 1.00 0.00 C ATOM 171 O VAL A 12 13.373 6.920 -6.777 1.00 0.00 O ATOM 172 CB VAL A 12 14.115 7.710 -4.028 1.00 0.00 C ATOM 173 CG1 VAL A 12 12.704 7.609 -3.464 1.00 0.00 C ATOM 174 CG2 VAL A 12 15.105 8.051 -2.924 1.00 0.00 C ATOM 0 H VAL A 12 16.047 7.241 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 12 14.483 5.597 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 12 14.133 8.511 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.442 8.545 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.001 7.417 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 12 12.658 6.793 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 12 14.803 8.979 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.122 7.246 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 12 16.100 8.172 -3.352 1.00 0.00 H new ATOM 184 N HIS A 13 12.918 4.946 -5.818 1.00 0.00 N ATOM 185 CA HIS A 13 11.979 4.539 -6.850 1.00 0.00 C ATOM 186 C HIS A 13 10.583 4.438 -6.262 1.00 0.00 C ATOM 187 O HIS A 13 10.406 3.930 -5.159 1.00 0.00 O ATOM 188 CB HIS A 13 12.393 3.201 -7.471 1.00 0.00 C ATOM 189 CG HIS A 13 13.622 3.282 -8.329 1.00 0.00 C ATOM 190 ND1 HIS A 13 13.573 3.344 -9.704 1.00 0.00 N ATOM 191 CD2 HIS A 13 14.938 3.304 -8.001 1.00 0.00 C ATOM 192 CE1 HIS A 13 14.800 3.400 -10.184 1.00 0.00 C ATOM 193 NE2 HIS A 13 15.646 3.378 -9.175 1.00 0.00 N ATOM 0 H HIS A 13 13.044 4.264 -5.071 1.00 0.00 H new ATOM 0 HA HIS A 13 11.983 5.291 -7.639 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.566 2.479 -6.673 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.567 2.820 -8.072 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.351 3.270 -7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 13 15.066 3.455 -11.229 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.662 3.411 -9.253 1.00 0.00 H new ATOM 202 N HIS A 14 9.597 4.932 -6.990 1.00 0.00 N ATOM 203 CA HIS A 14 8.228 4.951 -6.498 1.00 0.00 C ATOM 204 C HIS A 14 7.232 4.900 -7.651 1.00 0.00 C ATOM 205 O HIS A 14 7.471 5.466 -8.718 1.00 0.00 O ATOM 206 CB HIS A 14 7.982 6.201 -5.638 1.00 0.00 C ATOM 207 CG HIS A 14 8.247 7.499 -6.345 1.00 0.00 C ATOM 208 ND1 HIS A 14 7.249 8.287 -6.875 1.00 0.00 N ATOM 209 CD2 HIS A 14 9.408 8.151 -6.597 1.00 0.00 C ATOM 210 CE1 HIS A 14 7.781 9.362 -7.423 1.00 0.00 C ATOM 211 NE2 HIS A 14 9.088 9.303 -7.269 1.00 0.00 N ATOM 0 H HIS A 14 9.717 5.325 -7.923 1.00 0.00 H new ATOM 0 HA HIS A 14 8.081 4.065 -5.880 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.948 6.193 -5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.614 6.148 -4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.400 7.825 -6.320 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.238 10.156 -7.914 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.755 10.002 -7.597 1.00 0.00 H new ATOM 220 N GLN A 15 6.124 4.211 -7.427 1.00 0.00 N ATOM 221 CA GLN A 15 5.069 4.107 -8.421 1.00 0.00 C ATOM 222 C GLN A 15 3.709 4.048 -7.740 1.00 0.00 C ATOM 223 O GLN A 15 3.594 3.567 -6.611 1.00 0.00 O ATOM 224 CB GLN A 15 5.272 2.867 -9.298 1.00 0.00 C ATOM 225 CG GLN A 15 5.240 1.558 -8.524 1.00 0.00 C ATOM 226 CD GLN A 15 5.502 0.355 -9.405 1.00 0.00 C ATOM 227 OE1 GLN A 15 4.582 -0.227 -9.977 1.00 0.00 O ATOM 228 NE2 GLN A 15 6.761 -0.035 -9.511 1.00 0.00 N ATOM 0 H GLN A 15 5.932 3.712 -6.558 1.00 0.00 H new ATOM 0 HA GLN A 15 5.109 4.991 -9.057 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.497 2.844 -10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.229 2.950 -9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.986 1.591 -7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.268 1.448 -8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.496 0.475 -9.021 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.997 -0.846 -10.083 1.00 0.00 H new ATOM 237 N LYS A 16 2.689 4.542 -8.420 1.00 0.00 N ATOM 238 CA LYS A 16 1.339 4.541 -7.880 1.00 0.00 C ATOM 239 C LYS A 16 0.353 4.100 -8.954 1.00 0.00 C ATOM 240 O LYS A 16 0.332 4.657 -10.049 1.00 0.00 O ATOM 241 CB LYS A 16 0.983 5.940 -7.369 1.00 0.00 C ATOM 242 CG LYS A 16 -0.409 6.054 -6.769 1.00 0.00 C ATOM 243 CD LYS A 16 -0.718 7.492 -6.391 1.00 0.00 C ATOM 244 CE LYS A 16 -2.127 7.645 -5.840 1.00 0.00 C ATOM 245 NZ LYS A 16 -2.287 7.006 -4.508 1.00 0.00 N ATOM 0 H LYS A 16 2.770 4.951 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 16 1.284 3.840 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.715 6.236 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.069 6.648 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.149 5.694 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.483 5.418 -5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.001 7.834 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.600 8.131 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.371 8.705 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.837 7.204 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.254 7.166 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.114 5.984 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.606 7.420 -3.840 1.00 0.00 H new ATOM 259 N LEU A 17 -0.453 3.098 -8.638 1.00 0.00 N ATOM 260 CA LEU A 17 -1.425 2.568 -9.583 1.00 0.00 C ATOM 261 C LEU A 17 -2.823 2.643 -8.994 1.00 0.00 C ATOM 262 O LEU A 17 -3.064 2.150 -7.894 1.00 0.00 O ATOM 263 CB LEU A 17 -1.101 1.111 -9.955 1.00 0.00 C ATOM 264 CG LEU A 17 0.242 0.874 -10.657 1.00 0.00 C ATOM 265 CD1 LEU A 17 1.391 0.856 -9.658 1.00 0.00 C ATOM 266 CD2 LEU A 17 0.208 -0.424 -11.449 1.00 0.00 C ATOM 0 H LEU A 17 -0.453 2.633 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.377 3.175 -10.487 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.122 0.512 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.896 0.737 -10.601 1.00 0.00 H new ATOM 0 HG LEU A 17 0.409 1.701 -11.347 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.329 0.686 -10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.436 1.813 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.232 0.056 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.169 -0.576 -11.940 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.010 -1.257 -10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.579 -0.371 -12.201 1.00 0.00 H new ATOM 278 N VAL A 18 -3.739 3.264 -9.720 1.00 0.00 N ATOM 279 CA VAL A 18 -5.121 3.378 -9.277 1.00 0.00 C ATOM 280 C VAL A 18 -6.063 2.894 -10.370 1.00 0.00 C ATOM 281 O VAL A 18 -6.035 3.402 -11.489 1.00 0.00 O ATOM 282 CB VAL A 18 -5.489 4.829 -8.894 1.00 0.00 C ATOM 283 CG1 VAL A 18 -6.923 4.905 -8.388 1.00 0.00 C ATOM 284 CG2 VAL A 18 -4.526 5.374 -7.851 1.00 0.00 C ATOM 0 H VAL A 18 -3.550 3.699 -10.623 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.227 2.755 -8.389 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.407 5.446 -9.789 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.162 5.935 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.603 4.564 -9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.033 4.270 -7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.805 6.397 -7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.569 4.753 -6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.512 5.363 -8.251 1.00 0.00 H new ATOM 294 N PHE A 19 -6.885 1.912 -10.044 1.00 0.00 N ATOM 295 CA PHE A 19 -7.818 1.352 -11.006 1.00 0.00 C ATOM 296 C PHE A 19 -9.249 1.699 -10.610 1.00 0.00 C ATOM 297 O PHE A 19 -9.615 1.619 -9.434 1.00 0.00 O ATOM 298 CB PHE A 19 -7.639 -0.167 -11.096 1.00 0.00 C ATOM 299 CG PHE A 19 -8.449 -0.808 -12.187 1.00 0.00 C ATOM 300 CD1 PHE A 19 -7.972 -0.845 -13.486 1.00 0.00 C ATOM 301 CD2 PHE A 19 -9.683 -1.378 -11.914 1.00 0.00 C ATOM 302 CE1 PHE A 19 -8.709 -1.434 -14.494 1.00 0.00 C ATOM 303 CE2 PHE A 19 -10.426 -1.968 -12.917 1.00 0.00 C ATOM 304 CZ PHE A 19 -9.938 -1.996 -14.209 1.00 0.00 C ATOM 0 H PHE A 19 -6.925 1.485 -9.118 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.614 1.782 -11.987 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.585 -0.390 -11.260 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.915 -0.614 -10.141 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.011 -0.408 -13.714 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.068 -1.360 -10.905 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.325 -1.455 -15.503 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.387 -2.407 -12.692 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.517 -2.457 -14.996 1.00 0.00 H new ATOM 314 N PHE A 20 -10.046 2.091 -11.594 1.00 0.00 N ATOM 315 CA PHE A 20 -11.430 2.471 -11.358 1.00 0.00 C ATOM 316 C PHE A 20 -12.381 1.467 -11.998 1.00 0.00 C ATOM 317 O PHE A 20 -12.333 1.234 -13.207 1.00 0.00 O ATOM 318 CB PHE A 20 -11.707 3.868 -11.923 1.00 0.00 C ATOM 319 CG PHE A 20 -10.858 4.955 -11.324 1.00 0.00 C ATOM 320 CD1 PHE A 20 -11.278 5.638 -10.196 1.00 0.00 C ATOM 321 CD2 PHE A 20 -9.642 5.298 -11.896 1.00 0.00 C ATOM 322 CE1 PHE A 20 -10.504 6.642 -9.647 1.00 0.00 C ATOM 323 CE2 PHE A 20 -8.863 6.301 -11.352 1.00 0.00 C ATOM 324 CZ PHE A 20 -9.295 6.973 -10.226 1.00 0.00 C ATOM 0 H PHE A 20 -9.754 2.154 -12.569 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.596 2.480 -10.281 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -11.547 3.850 -13.001 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -12.757 4.112 -11.761 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.223 5.383 -9.739 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.300 4.775 -12.777 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -10.844 7.167 -8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.918 6.559 -11.807 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.688 7.757 -9.798 1.00 0.00 H new ATOM 334 N ALA A 21 -13.234 0.868 -11.182 1.00 0.00 N ATOM 335 CA ALA A 21 -14.244 -0.056 -11.671 1.00 0.00 C ATOM 336 C ALA A 21 -15.634 0.479 -11.356 1.00 0.00 C ATOM 337 O ALA A 21 -15.930 0.832 -10.212 1.00 0.00 O ATOM 338 CB ALA A 21 -14.046 -1.429 -11.047 1.00 0.00 C ATOM 0 H ALA A 21 -13.246 1.007 -10.172 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.144 -0.152 -12.752 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.809 -2.112 -11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.059 -1.809 -11.309 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.129 -1.351 -9.963 1.00 0.00 H new ATOM 441 N GLY A 29 -19.717 -0.142 -7.044 1.00 0.00 N ATOM 442 CA GLY A 29 -18.480 0.187 -7.717 1.00 0.00 C ATOM 443 C GLY A 29 -17.271 -0.176 -6.887 1.00 0.00 C ATOM 444 O GLY A 29 -17.399 -0.493 -5.708 1.00 0.00 O ATOM 0 HA2 GLY A 29 -18.436 -0.338 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.461 1.254 -7.939 1.00 0.00 H new ATOM 448 N ALA A 30 -16.096 -0.127 -7.492 1.00 0.00 N ATOM 449 CA ALA A 30 -14.876 -0.468 -6.782 1.00 0.00 C ATOM 450 C ALA A 30 -13.711 0.396 -7.238 1.00 0.00 C ATOM 451 O ALA A 30 -13.469 0.556 -8.432 1.00 0.00 O ATOM 452 CB ALA A 30 -14.545 -1.940 -6.971 1.00 0.00 C ATOM 0 H ALA A 30 -15.962 0.144 -8.466 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.043 -0.276 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.628 -2.179 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.362 -2.549 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.408 -2.149 -8.032 1.00 0.00 H new ATOM 458 N ILE A 31 -12.999 0.957 -6.281 1.00 0.00 N ATOM 459 CA ILE A 31 -11.794 1.711 -6.573 1.00 0.00 C ATOM 460 C ILE A 31 -10.630 1.148 -5.766 1.00 0.00 C ATOM 461 O ILE A 31 -10.760 0.891 -4.568 1.00 0.00 O ATOM 462 CB ILE A 31 -11.970 3.222 -6.282 1.00 0.00 C ATOM 463 CG1 ILE A 31 -10.659 3.972 -6.541 1.00 0.00 C ATOM 464 CG2 ILE A 31 -12.456 3.452 -4.857 1.00 0.00 C ATOM 465 CD1 ILE A 31 -10.753 5.462 -6.308 1.00 0.00 C ATOM 0 H ILE A 31 -13.235 0.905 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.585 1.611 -7.638 1.00 0.00 H new ATOM 0 HB ILE A 31 -12.730 3.614 -6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -9.883 3.561 -5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.346 3.793 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.571 4.521 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.416 2.955 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -11.729 3.044 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.787 5.924 -6.511 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -11.506 5.887 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -11.035 5.651 -5.272 1.00 0.00 H new ATOM 477 N ILE A 32 -9.508 0.925 -6.429 1.00 0.00 N ATOM 478 CA ILE A 32 -8.339 0.372 -5.766 1.00 0.00 C ATOM 479 C ILE A 32 -7.079 1.138 -6.153 1.00 0.00 C ATOM 480 O ILE A 32 -6.794 1.334 -7.335 1.00 0.00 O ATOM 481 CB ILE A 32 -8.166 -1.135 -6.080 1.00 0.00 C ATOM 482 CG1 ILE A 32 -6.833 -1.652 -5.527 1.00 0.00 C ATOM 483 CG2 ILE A 32 -8.271 -1.393 -7.577 1.00 0.00 C ATOM 484 CD1 ILE A 32 -6.652 -3.147 -5.670 1.00 0.00 C ATOM 0 H ILE A 32 -9.382 1.118 -7.423 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.496 0.478 -4.693 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.972 -1.680 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.016 -1.146 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.760 -1.386 -4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.146 -2.458 -7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.249 -1.071 -7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.493 -0.835 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.686 -3.438 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.447 -3.663 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.692 -3.419 -6.725 1.00 0.00 H new ATOM 496 N GLY A 33 -6.347 1.587 -5.149 1.00 0.00 N ATOM 497 CA GLY A 33 -5.112 2.299 -5.386 1.00 0.00 C ATOM 498 C GLY A 33 -3.969 1.704 -4.597 1.00 0.00 C ATOM 499 O GLY A 33 -4.129 1.380 -3.421 1.00 0.00 O ATOM 0 H GLY A 33 -6.589 1.470 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.874 2.273 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.237 3.347 -5.113 1.00 0.00 H new ATOM 503 N LEU A 34 -2.827 1.544 -5.244 1.00 0.00 N ATOM 504 CA LEU A 34 -1.652 0.975 -4.603 1.00 0.00 C ATOM 505 C LEU A 34 -0.414 1.791 -4.951 1.00 0.00 C ATOM 506 O LEU A 34 -0.126 2.029 -6.124 1.00 0.00 O ATOM 507 CB LEU A 34 -1.461 -0.482 -5.044 1.00 0.00 C ATOM 508 CG LEU A 34 -0.232 -1.190 -4.465 1.00 0.00 C ATOM 509 CD1 LEU A 34 -0.361 -1.352 -2.958 1.00 0.00 C ATOM 510 CD2 LEU A 34 -0.032 -2.542 -5.132 1.00 0.00 C ATOM 0 H LEU A 34 -2.688 1.802 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.798 1.001 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.350 -1.048 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.395 -0.509 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 34 0.643 -0.572 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.523 -1.857 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.452 -0.370 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.247 -1.945 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.845 -3.031 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.911 -3.164 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.113 -2.401 -6.203 1.00 0.00 H new ATOM 522 N MET A 35 0.305 2.233 -3.931 1.00 0.00 N ATOM 523 CA MET A 35 1.535 2.981 -4.134 1.00 0.00 C ATOM 524 C MET A 35 2.704 2.264 -3.473 1.00 0.00 C ATOM 525 O MET A 35 2.611 1.834 -2.322 1.00 0.00 O ATOM 526 CB MET A 35 1.410 4.398 -3.568 1.00 0.00 C ATOM 527 CG MET A 35 2.667 5.236 -3.761 1.00 0.00 C ATOM 528 SD MET A 35 2.539 6.880 -3.036 1.00 0.00 S ATOM 529 CE MET A 35 4.172 7.521 -3.404 1.00 0.00 C ATOM 0 H MET A 35 0.057 2.086 -2.953 1.00 0.00 H new ATOM 0 HA MET A 35 1.717 3.049 -5.207 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.570 4.900 -4.047 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.181 4.338 -2.504 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.515 4.715 -3.317 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.873 5.331 -4.827 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.259 8.537 -3.020 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.925 6.889 -2.933 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.326 7.526 -4.483 1.00 0.00 H new ATOM 539 N VAL A 36 3.797 2.131 -4.209 1.00 0.00 N ATOM 540 CA VAL A 36 4.995 1.497 -3.688 1.00 0.00 C ATOM 541 C VAL A 36 6.176 2.450 -3.794 1.00 0.00 C ATOM 542 O VAL A 36 6.402 3.051 -4.844 1.00 0.00 O ATOM 543 CB VAL A 36 5.329 0.192 -4.446 1.00 0.00 C ATOM 544 CG1 VAL A 36 6.525 -0.507 -3.817 1.00 0.00 C ATOM 545 CG2 VAL A 36 4.121 -0.735 -4.480 1.00 0.00 C ATOM 0 H VAL A 36 3.877 2.456 -5.173 1.00 0.00 H new ATOM 0 HA VAL A 36 4.805 1.248 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 36 5.589 0.452 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.742 -1.423 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.392 0.152 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.299 -0.752 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.378 -1.648 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.826 -0.985 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.294 -0.236 -4.985 1.00 0.00 H new ATOM 555 N GLY A 37 6.912 2.591 -2.706 1.00 0.00 N ATOM 556 CA GLY A 37 8.090 3.431 -2.705 1.00 0.00 C ATOM 557 C GLY A 37 9.265 2.721 -2.078 1.00 0.00 C ATOM 558 O GLY A 37 9.140 2.158 -0.992 1.00 0.00 O ATOM 0 H GLY A 37 6.713 2.135 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.337 3.716 -3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.884 4.351 -2.158 1.00 0.00 H new ATOM 562 N GLY A 38 10.400 2.736 -2.751 1.00 0.00 N ATOM 563 CA GLY A 38 11.549 2.013 -2.265 1.00 0.00 C ATOM 564 C GLY A 38 12.849 2.753 -2.481 1.00 0.00 C ATOM 565 O GLY A 38 12.961 3.586 -3.383 1.00 0.00 O ATOM 0 H GLY A 38 10.546 3.237 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.423 1.815 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.601 1.046 -2.765 1.00 0.00 H new ATOM 569 N VAL A 39 13.833 2.438 -1.656 1.00 0.00 N ATOM 570 CA VAL A 39 15.131 3.086 -1.720 1.00 0.00 C ATOM 571 C VAL A 39 16.226 2.047 -1.929 1.00 0.00 C ATOM 572 O VAL A 39 16.285 1.045 -1.215 1.00 0.00 O ATOM 573 CB VAL A 39 15.433 3.888 -0.433 1.00 0.00 C ATOM 574 CG1 VAL A 39 16.780 4.588 -0.530 1.00 0.00 C ATOM 575 CG2 VAL A 39 14.329 4.896 -0.152 1.00 0.00 C ATOM 0 H VAL A 39 13.755 1.729 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 39 15.108 3.779 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 39 15.475 3.183 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.968 5.145 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.566 3.846 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.773 5.275 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.563 5.448 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.250 5.591 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.382 4.372 -0.025 1.00 0.00 H new ATOM 585 N VAL A 40 17.071 2.286 -2.917 1.00 0.00 N ATOM 586 CA VAL A 40 18.189 1.407 -3.204 1.00 0.00 C ATOM 587 C VAL A 40 19.487 2.050 -2.732 1.00 0.00 C ATOM 588 O VAL A 40 19.935 3.047 -3.298 1.00 0.00 O ATOM 589 CB VAL A 40 18.293 1.095 -4.713 1.00 0.00 C ATOM 590 CG1 VAL A 40 19.427 0.116 -4.986 1.00 0.00 C ATOM 591 CG2 VAL A 40 16.973 0.553 -5.241 1.00 0.00 C ATOM 0 H VAL A 40 17.001 3.091 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 40 18.020 0.471 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 40 18.515 2.024 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 40 19.481 -0.089 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 40 20.370 0.549 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 40 19.243 -0.813 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 40 17.067 0.340 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 40 16.717 -0.363 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 40 16.188 1.294 -5.088 1.00 0.00 H new ATOM 601 N ILE A 41 20.071 1.489 -1.687 1.00 0.00 N ATOM 602 CA ILE A 41 21.302 2.018 -1.119 1.00 0.00 C ATOM 603 C ILE A 41 22.490 1.180 -1.573 1.00 0.00 C ATOM 604 O ILE A 41 22.646 0.039 -1.142 1.00 0.00 O ATOM 605 CB ILE A 41 21.253 2.026 0.424 1.00 0.00 C ATOM 606 CG1 ILE A 41 20.014 2.779 0.917 1.00 0.00 C ATOM 607 CG2 ILE A 41 22.517 2.655 0.989 1.00 0.00 C ATOM 608 CD1 ILE A 41 19.823 2.718 2.418 1.00 0.00 C ATOM 0 H ILE A 41 19.711 0.662 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 41 21.412 3.044 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 41 21.191 0.996 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 41 20.088 3.823 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 41 19.131 2.366 0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 41 22.469 2.654 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 41 23.385 2.082 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 41 22.604 3.681 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 41 18.926 3.273 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 41 19.716 1.679 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 41 20.689 3.158 2.913 1.00 0.00 H new ATOM 1079 N ALA B 30 21.373 -2.376 -1.081 1.00 0.00 N ATOM 1080 CA ALA B 30 20.238 -2.798 -0.277 1.00 0.00 C ATOM 1081 C ALA B 30 18.961 -2.184 -0.829 1.00 0.00 C ATOM 1082 O ALA B 30 18.886 -0.969 -1.024 1.00 0.00 O ATOM 1083 CB ALA B 30 20.434 -2.398 1.177 1.00 0.00 C ATOM 0 HA ALA B 30 20.159 -3.884 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA B 30 19.574 -2.723 1.763 1.00 0.00 H new ATOM 0 HB2 ALA B 30 21.337 -2.870 1.566 1.00 0.00 H new ATOM 0 HB3 ALA B 30 20.532 -1.315 1.246 1.00 0.00 H new ATOM 1089 N ILE B 31 17.966 -3.016 -1.085 1.00 0.00 N ATOM 1090 CA ILE B 31 16.733 -2.555 -1.703 1.00 0.00 C ATOM 1091 C ILE B 31 15.550 -2.767 -0.769 1.00 0.00 C ATOM 1092 O ILE B 31 15.179 -3.901 -0.468 1.00 0.00 O ATOM 1093 CB ILE B 31 16.461 -3.289 -3.037 1.00 0.00 C ATOM 1094 CG1 ILE B 31 17.649 -3.127 -3.989 1.00 0.00 C ATOM 1095 CG2 ILE B 31 15.184 -2.767 -3.685 1.00 0.00 C ATOM 1096 CD1 ILE B 31 17.503 -3.895 -5.287 1.00 0.00 C ATOM 0 H ILE B 31 17.987 -4.014 -0.875 1.00 0.00 H new ATOM 0 HA ILE B 31 16.853 -1.491 -1.904 1.00 0.00 H new ATOM 0 HB ILE B 31 16.330 -4.350 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE B 31 17.778 -2.069 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE B 31 18.556 -3.457 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE B 31 15.009 -3.295 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE B 31 14.342 -2.932 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE B 31 15.287 -1.700 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE B 31 18.383 -3.730 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE B 31 17.405 -4.959 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE B 31 16.615 -3.549 -5.817 1.00 0.00 H new ATOM 1108 N ILE B 32 14.970 -1.677 -0.300 1.00 0.00 N ATOM 1109 CA ILE B 32 13.775 -1.755 0.521 1.00 0.00 C ATOM 1110 C ILE B 32 12.589 -1.185 -0.241 1.00 0.00 C ATOM 1111 O ILE B 32 12.769 -0.375 -1.147 1.00 0.00 O ATOM 1112 CB ILE B 32 13.951 -1.025 1.878 1.00 0.00 C ATOM 1113 CG1 ILE B 32 14.328 0.452 1.687 1.00 0.00 C ATOM 1114 CG2 ILE B 32 14.999 -1.731 2.725 1.00 0.00 C ATOM 1115 CD1 ILE B 32 13.138 1.382 1.551 1.00 0.00 C ATOM 0 H ILE B 32 15.306 -0.730 -0.473 1.00 0.00 H new ATOM 0 HA ILE B 32 13.592 -2.806 0.745 1.00 0.00 H new ATOM 0 HB ILE B 32 12.992 -1.056 2.395 1.00 0.00 H new ATOM 0 HG12 ILE B 32 14.932 0.774 2.535 1.00 0.00 H new ATOM 0 HG13 ILE B 32 14.951 0.545 0.798 1.00 0.00 H new ATOM 0 HG21 ILE B 32 15.112 -1.208 3.675 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.685 -2.758 2.912 1.00 0.00 H new ATOM 0 HG23 ILE B 32 15.952 -1.734 2.197 1.00 0.00 H new ATOM 0 HD11 ILE B 32 13.489 2.405 1.420 1.00 0.00 H new ATOM 0 HD12 ILE B 32 12.544 1.088 0.686 1.00 0.00 H new ATOM 0 HD13 ILE B 32 12.524 1.322 2.450 1.00 0.00 H new ATOM 1127 N GLY B 33 11.392 -1.621 0.110 1.00 0.00 N ATOM 1128 CA GLY B 33 10.202 -1.129 -0.552 1.00 0.00 C ATOM 1129 C GLY B 33 9.002 -1.110 0.368 1.00 0.00 C ATOM 1130 O GLY B 33 8.727 -2.088 1.060 1.00 0.00 O ATOM 0 H GLY B 33 11.221 -2.309 0.844 1.00 0.00 H new ATOM 0 HA2 GLY B 33 10.387 -0.122 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY B 33 9.984 -1.755 -1.417 1.00 0.00 H new ATOM 1134 N LEU B 34 8.296 0.007 0.389 1.00 0.00 N ATOM 1135 CA LEU B 34 7.107 0.150 1.211 1.00 0.00 C ATOM 1136 C LEU B 34 5.863 0.140 0.335 1.00 0.00 C ATOM 1137 O LEU B 34 5.762 0.917 -0.616 1.00 0.00 O ATOM 1138 CB LEU B 34 7.171 1.451 2.016 1.00 0.00 C ATOM 1139 CG LEU B 34 8.411 1.613 2.899 1.00 0.00 C ATOM 1140 CD1 LEU B 34 8.380 2.950 3.620 1.00 0.00 C ATOM 1141 CD2 LEU B 34 8.512 0.471 3.903 1.00 0.00 C ATOM 0 H LEU B 34 8.528 0.835 -0.159 1.00 0.00 H new ATOM 0 HA LEU B 34 7.059 -0.689 1.905 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.127 2.291 1.322 1.00 0.00 H new ATOM 0 HB3 LEU B 34 6.285 1.512 2.648 1.00 0.00 H new ATOM 0 HG LEU B 34 9.292 1.584 2.257 1.00 0.00 H new ATOM 0 HD11 LEU B 34 9.269 3.048 4.243 1.00 0.00 H new ATOM 0 HD12 LEU B 34 8.359 3.758 2.888 1.00 0.00 H new ATOM 0 HD13 LEU B 34 7.490 3.005 4.247 1.00 0.00 H new ATOM 0 HD21 LEU B 34 9.400 0.606 4.520 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.626 0.466 4.538 1.00 0.00 H new ATOM 0 HD23 LEU B 34 8.582 -0.477 3.370 1.00 0.00 H new ATOM 1153 N MET B 35 4.926 -0.740 0.651 1.00 0.00 N ATOM 1154 CA MET B 35 3.718 -0.891 -0.148 1.00 0.00 C ATOM 1155 C MET B 35 2.495 -0.446 0.645 1.00 0.00 C ATOM 1156 O MET B 35 2.219 -0.973 1.723 1.00 0.00 O ATOM 1157 CB MET B 35 3.549 -2.351 -0.585 1.00 0.00 C ATOM 1158 CG MET B 35 4.740 -2.903 -1.357 1.00 0.00 C ATOM 1159 SD MET B 35 4.512 -4.615 -1.882 1.00 0.00 S ATOM 1160 CE MET B 35 4.351 -5.445 -0.301 1.00 0.00 C ATOM 0 H MET B 35 4.978 -1.363 1.457 1.00 0.00 H new ATOM 0 HA MET B 35 3.812 -0.262 -1.034 1.00 0.00 H new ATOM 0 HB2 MET B 35 3.383 -2.968 0.298 1.00 0.00 H new ATOM 0 HB3 MET B 35 2.656 -2.434 -1.205 1.00 0.00 H new ATOM 0 HG2 MET B 35 4.917 -2.281 -2.234 1.00 0.00 H new ATOM 0 HG3 MET B 35 5.632 -2.836 -0.734 1.00 0.00 H new ATOM 0 HE1 MET B 35 4.662 -6.485 -0.403 1.00 0.00 H new ATOM 0 HE2 MET B 35 4.981 -4.948 0.437 1.00 0.00 H new ATOM 0 HE3 MET B 35 3.312 -5.407 0.026 1.00 0.00 H new ATOM 1170 N VAL B 36 1.772 0.532 0.115 1.00 0.00 N ATOM 1171 CA VAL B 36 0.563 1.030 0.760 1.00 0.00 C ATOM 1172 C VAL B 36 -0.567 1.137 -0.257 1.00 0.00 C ATOM 1173 O VAL B 36 -0.407 1.754 -1.312 1.00 0.00 O ATOM 1174 CB VAL B 36 0.791 2.412 1.419 1.00 0.00 C ATOM 1175 CG1 VAL B 36 -0.478 2.903 2.097 1.00 0.00 C ATOM 1176 CG2 VAL B 36 1.938 2.357 2.419 1.00 0.00 C ATOM 0 H VAL B 36 2.002 0.998 -0.763 1.00 0.00 H new ATOM 0 HA VAL B 36 0.294 0.320 1.542 1.00 0.00 H new ATOM 0 HB VAL B 36 1.057 3.117 0.631 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.294 3.876 2.553 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.274 2.994 1.358 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.778 2.192 2.867 1.00 0.00 H new ATOM 0 HG21 VAL B 36 2.077 3.341 2.867 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.706 1.632 3.199 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.853 2.059 1.907 1.00 0.00 H new ATOM 1186 N GLY B 37 -1.703 0.529 0.053 1.00 0.00 N ATOM 1187 CA GLY B 37 -2.822 0.542 -0.863 1.00 0.00 C ATOM 1188 C GLY B 37 -4.160 0.525 -0.154 1.00 0.00 C ATOM 1189 O GLY B 37 -4.232 0.277 1.052 1.00 0.00 O ATOM 0 H GLY B 37 -1.869 0.026 0.925 1.00 0.00 H new ATOM 0 HA2 GLY B 37 -2.760 1.430 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY B 37 -2.755 -0.322 -1.524 1.00 0.00 H new ATOM 1193 N GLY B 38 -5.220 0.783 -0.903 1.00 0.00 N ATOM 1194 CA GLY B 38 -6.552 0.794 -0.338 1.00 0.00 C ATOM 1195 C GLY B 38 -7.608 0.443 -1.367 1.00 0.00 C ATOM 1196 O GLY B 38 -7.499 0.830 -2.533 1.00 0.00 O ATOM 0 H GLY B 38 -5.180 0.987 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -6.601 0.085 0.488 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -6.762 1.780 0.075 1.00 0.00 H new ATOM 1200 N VAL B 39 -8.616 -0.301 -0.938 1.00 0.00 N ATOM 1201 CA VAL B 39 -9.705 -0.712 -1.812 1.00 0.00 C ATOM 1202 C VAL B 39 -11.041 -0.261 -1.235 1.00 0.00 C ATOM 1203 O VAL B 39 -11.310 -0.465 -0.052 1.00 0.00 O ATOM 1204 CB VAL B 39 -9.740 -2.247 -1.992 1.00 0.00 C ATOM 1205 CG1 VAL B 39 -10.775 -2.644 -3.036 1.00 0.00 C ATOM 1206 CG2 VAL B 39 -8.368 -2.784 -2.364 1.00 0.00 C ATOM 0 H VAL B 39 -8.703 -0.636 0.022 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.535 -0.246 -2.782 1.00 0.00 H new ATOM 0 HB VAL B 39 -10.028 -2.691 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -10.783 -3.728 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -11.761 -2.305 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -10.523 -2.184 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -8.421 -3.866 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.041 -2.330 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -7.656 -2.541 -1.575 1.00 0.00 H new ATOM 1216 N VAL B 40 -11.864 0.363 -2.060 1.00 0.00 N ATOM 1217 CA VAL B 40 -13.197 0.770 -1.642 1.00 0.00 C ATOM 1218 C VAL B 40 -14.242 0.208 -2.597 1.00 0.00 C ATOM 1219 O VAL B 40 -14.275 0.568 -3.774 1.00 0.00 O ATOM 1220 CB VAL B 40 -13.339 2.307 -1.572 1.00 0.00 C ATOM 1221 CG1 VAL B 40 -14.750 2.702 -1.155 1.00 0.00 C ATOM 1222 CG2 VAL B 40 -12.318 2.902 -0.613 1.00 0.00 C ATOM 0 H VAL B 40 -11.633 0.600 -3.025 1.00 0.00 H new ATOM 0 HA VAL B 40 -13.356 0.371 -0.640 1.00 0.00 H new ATOM 0 HB VAL B 40 -13.149 2.707 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -14.826 3.789 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -15.465 2.316 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.969 2.284 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -12.437 3.985 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -12.472 2.490 0.384 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -11.312 2.658 -0.955 1.00 0.00 H new ATOM 1232 N ILE B 41 -15.070 -0.693 -2.091 1.00 0.00 N ATOM 1233 CA ILE B 41 -16.148 -1.275 -2.875 1.00 0.00 C ATOM 1234 C ILE B 41 -17.497 -0.805 -2.339 1.00 0.00 C ATOM 1235 O ILE B 41 -17.916 -1.205 -1.249 1.00 0.00 O ATOM 1236 CB ILE B 41 -16.097 -2.819 -2.847 1.00 0.00 C ATOM 1237 CG1 ILE B 41 -14.734 -3.315 -3.338 1.00 0.00 C ATOM 1238 CG2 ILE B 41 -17.216 -3.405 -3.697 1.00 0.00 C ATOM 1239 CD1 ILE B 41 -14.567 -4.818 -3.257 1.00 0.00 C ATOM 0 H ILE B 41 -15.015 -1.039 -1.133 1.00 0.00 H new ATOM 0 HA ILE B 41 -16.023 -0.945 -3.906 1.00 0.00 H new ATOM 0 HB ILE B 41 -16.237 -3.152 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -14.593 -2.998 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -13.950 -2.839 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -17.165 -4.493 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -18.179 -3.076 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -17.106 -3.066 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -13.578 -5.094 -3.622 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -14.675 -5.141 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -15.328 -5.302 -3.869 1.00 0.00 H new ATOM 1251 N ALA B 42 -18.160 0.042 -3.116 1.00 0.00 N ATOM 1252 CA ALA B 42 -19.435 0.628 -2.733 1.00 0.00 C ATOM 1253 C ALA B 42 -19.983 1.469 -3.882 1.00 0.00 C ATOM 1254 O ALA B 42 -20.703 0.913 -4.735 1.00 0.00 O ATOM 1255 CB ALA B 42 -19.283 1.479 -1.478 1.00 0.00 C ATOM 1256 OXT ALA B 42 -19.671 2.676 -3.936 1.00 0.00 O ATOM 0 H ALA B 42 -17.826 0.342 -4.032 1.00 0.00 H new ATOM 0 HA ALA B 42 -20.137 -0.176 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -20.249 1.907 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -18.921 0.858 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -18.570 2.281 -1.667 1.00 0.00 H new ATOM 1394 N TYR C 10 -21.560 -5.306 11.190 1.00 0.00 N ATOM 1395 CA TYR C 10 -20.450 -5.204 10.260 1.00 0.00 C ATOM 1396 C TYR C 10 -19.433 -6.301 10.532 1.00 0.00 C ATOM 1397 O TYR C 10 -19.312 -6.780 11.659 1.00 0.00 O ATOM 1398 CB TYR C 10 -19.785 -3.822 10.354 1.00 0.00 C ATOM 1399 CG TYR C 10 -19.152 -3.515 11.697 1.00 0.00 C ATOM 1400 CD1 TYR C 10 -19.914 -3.036 12.756 1.00 0.00 C ATOM 1401 CD2 TYR C 10 -17.790 -3.693 11.902 1.00 0.00 C ATOM 1402 CE1 TYR C 10 -19.338 -2.745 13.977 1.00 0.00 C ATOM 1403 CE2 TYR C 10 -17.208 -3.407 13.122 1.00 0.00 C ATOM 1404 CZ TYR C 10 -17.986 -2.933 14.154 1.00 0.00 C ATOM 1405 OH TYR C 10 -17.409 -2.643 15.369 1.00 0.00 O ATOM 0 HA TYR C 10 -20.837 -5.328 9.249 1.00 0.00 H new ATOM 0 HB2 TYR C 10 -19.020 -3.749 9.581 1.00 0.00 H new ATOM 0 HB3 TYR C 10 -20.532 -3.059 10.136 1.00 0.00 H new ATOM 0 HD1 TYR C 10 -20.975 -2.889 12.622 1.00 0.00 H new ATOM 0 HD2 TYR C 10 -17.175 -4.061 11.094 1.00 0.00 H new ATOM 0 HE1 TYR C 10 -19.945 -2.372 14.789 1.00 0.00 H new ATOM 0 HE2 TYR C 10 -16.148 -3.555 13.265 1.00 0.00 H new ATOM 0 HH TYR C 10 -16.448 -2.832 15.328 1.00 0.00 H new ATOM 1415 N GLU C 11 -18.716 -6.700 9.498 1.00 0.00 N ATOM 1416 CA GLU C 11 -17.693 -7.727 9.625 1.00 0.00 C ATOM 1417 C GLU C 11 -16.309 -7.122 9.455 1.00 0.00 C ATOM 1418 O GLU C 11 -16.101 -6.274 8.589 1.00 0.00 O ATOM 1419 CB GLU C 11 -17.887 -8.819 8.575 1.00 0.00 C ATOM 1420 CG GLU C 11 -19.137 -9.659 8.760 1.00 0.00 C ATOM 1421 CD GLU C 11 -19.241 -10.751 7.716 1.00 0.00 C ATOM 1422 OE1 GLU C 11 -20.302 -10.864 7.072 1.00 0.00 O ATOM 1423 OE2 GLU C 11 -18.244 -11.481 7.521 1.00 0.00 O ATOM 0 H GLU C 11 -18.823 -6.327 8.555 1.00 0.00 H new ATOM 0 HA GLU C 11 -17.783 -8.163 10.620 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -17.920 -8.355 7.589 1.00 0.00 H new ATOM 0 HB3 GLU C 11 -17.018 -9.477 8.589 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -19.131 -10.106 9.754 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -20.017 -9.018 8.704 1.00 0.00 H new ATOM 1430 N VAL C 12 -15.371 -7.555 10.277 1.00 0.00 N ATOM 1431 CA VAL C 12 -13.990 -7.129 10.140 1.00 0.00 C ATOM 1432 C VAL C 12 -13.130 -8.312 9.717 1.00 0.00 C ATOM 1433 O VAL C 12 -12.962 -9.273 10.467 1.00 0.00 O ATOM 1434 CB VAL C 12 -13.437 -6.531 11.451 1.00 0.00 C ATOM 1435 CG1 VAL C 12 -11.999 -6.068 11.269 1.00 0.00 C ATOM 1436 CG2 VAL C 12 -14.307 -5.379 11.928 1.00 0.00 C ATOM 0 H VAL C 12 -15.540 -8.202 11.047 1.00 0.00 H new ATOM 0 HA VAL C 12 -13.958 -6.349 9.379 1.00 0.00 H new ATOM 0 HB VAL C 12 -13.454 -7.313 12.210 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.630 -5.650 12.206 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -11.378 -6.916 10.980 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -11.958 -5.306 10.491 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -13.898 -4.973 12.853 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -14.327 -4.599 11.167 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -15.321 -5.738 12.106 1.00 0.00 H new ATOM 1446 N HIS C 13 -12.594 -8.239 8.512 1.00 0.00 N ATOM 1447 CA HIS C 13 -11.770 -9.313 7.980 1.00 0.00 C ATOM 1448 C HIS C 13 -10.341 -8.830 7.802 1.00 0.00 C ATOM 1449 O HIS C 13 -10.114 -7.714 7.345 1.00 0.00 O ATOM 1450 CB HIS C 13 -12.331 -9.827 6.648 1.00 0.00 C ATOM 1451 CG HIS C 13 -13.613 -10.596 6.785 1.00 0.00 C ATOM 1452 ND1 HIS C 13 -13.666 -11.972 6.779 1.00 0.00 N ATOM 1453 CD2 HIS C 13 -14.894 -10.175 6.926 1.00 0.00 C ATOM 1454 CE1 HIS C 13 -14.918 -12.363 6.908 1.00 0.00 C ATOM 1455 NE2 HIS C 13 -15.684 -11.296 7.000 1.00 0.00 N ATOM 0 H HIS C 13 -12.714 -7.446 7.881 1.00 0.00 H new ATOM 0 HA HIS C 13 -11.780 -10.140 8.690 1.00 0.00 H new ATOM 0 HB2 HIS C 13 -12.496 -8.979 5.983 1.00 0.00 H new ATOM 0 HB3 HIS C 13 -11.585 -10.464 6.172 1.00 0.00 H new ATOM 0 HD2 HIS C 13 -15.230 -9.150 6.972 1.00 0.00 H new ATOM 0 HE1 HIS C 13 -15.259 -13.388 6.934 1.00 0.00 H new ATOM 0 HE2 HIS C 13 -16.698 -11.301 7.108 1.00 0.00 H new ATOM 1464 N HIS C 14 -9.383 -9.662 8.170 1.00 0.00 N ATOM 1465 CA HIS C 14 -7.981 -9.272 8.115 1.00 0.00 C ATOM 1466 C HIS C 14 -7.086 -10.489 7.932 1.00 0.00 C ATOM 1467 O HIS C 14 -7.366 -11.560 8.468 1.00 0.00 O ATOM 1468 CB HIS C 14 -7.580 -8.501 9.383 1.00 0.00 C ATOM 1469 CG HIS C 14 -7.802 -9.257 10.660 1.00 0.00 C ATOM 1470 ND1 HIS C 14 -6.794 -9.911 11.333 1.00 0.00 N ATOM 1471 CD2 HIS C 14 -8.925 -9.452 11.391 1.00 0.00 C ATOM 1472 CE1 HIS C 14 -7.287 -10.477 12.417 1.00 0.00 C ATOM 1473 NE2 HIS C 14 -8.576 -10.213 12.475 1.00 0.00 N ATOM 0 H HIS C 14 -9.547 -10.610 8.510 1.00 0.00 H new ATOM 0 HA HIS C 14 -7.849 -8.616 7.255 1.00 0.00 H new ATOM 0 HB2 HIS C 14 -6.526 -8.231 9.312 1.00 0.00 H new ATOM 0 HB3 HIS C 14 -8.145 -7.570 9.422 1.00 0.00 H new ATOM 0 HD2 HIS C 14 -9.912 -9.077 11.162 1.00 0.00 H new ATOM 0 HE1 HIS C 14 -6.728 -11.059 13.136 1.00 0.00 H new ATOM 0 HE2 HIS C 14 -9.212 -10.525 13.209 1.00 0.00 H new ATOM 1482 N GLN C 15 -6.021 -10.314 7.167 1.00 0.00 N ATOM 1483 CA GLN C 15 -5.059 -11.380 6.929 1.00 0.00 C ATOM 1484 C GLN C 15 -3.658 -10.799 6.796 1.00 0.00 C ATOM 1485 O GLN C 15 -3.490 -9.655 6.365 1.00 0.00 O ATOM 1486 CB GLN C 15 -5.429 -12.164 5.664 1.00 0.00 C ATOM 1487 CG GLN C 15 -5.430 -11.324 4.396 1.00 0.00 C ATOM 1488 CD GLN C 15 -5.854 -12.113 3.174 1.00 0.00 C ATOM 1489 OE1 GLN C 15 -5.030 -12.728 2.497 1.00 0.00 O ATOM 1490 NE2 GLN C 15 -7.142 -12.097 2.879 1.00 0.00 N ATOM 0 H GLN C 15 -5.799 -9.437 6.696 1.00 0.00 H new ATOM 0 HA GLN C 15 -5.079 -12.063 7.778 1.00 0.00 H new ATOM 0 HB2 GLN C 15 -4.727 -12.989 5.541 1.00 0.00 H new ATOM 0 HB3 GLN C 15 -6.417 -12.604 5.797 1.00 0.00 H new ATOM 0 HG2 GLN C 15 -6.102 -10.476 4.527 1.00 0.00 H new ATOM 0 HG3 GLN C 15 -4.432 -10.918 4.233 1.00 0.00 H new ATOM 0 HE21 GLN C 15 -7.793 -11.575 3.466 1.00 0.00 H new ATOM 0 HE22 GLN C 15 -7.485 -12.607 2.065 1.00 0.00 H new ATOM 1499 N LYS C 16 -2.658 -11.579 7.173 1.00 0.00 N ATOM 1500 CA LYS C 16 -1.275 -11.141 7.089 1.00 0.00 C ATOM 1501 C LYS C 16 -0.409 -12.256 6.518 1.00 0.00 C ATOM 1502 O LYS C 16 -0.420 -13.377 7.018 1.00 0.00 O ATOM 1503 CB LYS C 16 -0.778 -10.736 8.480 1.00 0.00 C ATOM 1504 CG LYS C 16 0.662 -10.250 8.517 1.00 0.00 C ATOM 1505 CD LYS C 16 1.106 -9.980 9.945 1.00 0.00 C ATOM 1506 CE LYS C 16 2.562 -9.545 10.016 1.00 0.00 C ATOM 1507 NZ LYS C 16 2.775 -8.195 9.433 1.00 0.00 N ATOM 0 H LYS C 16 -2.779 -12.522 7.542 1.00 0.00 H new ATOM 0 HA LYS C 16 -1.209 -10.278 6.426 1.00 0.00 H new ATOM 0 HB2 LYS C 16 -1.424 -9.949 8.868 1.00 0.00 H new ATOM 0 HB3 LYS C 16 -0.878 -11.590 9.151 1.00 0.00 H new ATOM 0 HG2 LYS C 16 1.314 -10.997 8.064 1.00 0.00 H new ATOM 0 HG3 LYS C 16 0.759 -9.341 7.924 1.00 0.00 H new ATOM 0 HD2 LYS C 16 0.475 -9.206 10.381 1.00 0.00 H new ATOM 0 HD3 LYS C 16 0.967 -10.880 10.544 1.00 0.00 H new ATOM 0 HE2 LYS C 16 2.889 -9.545 11.056 1.00 0.00 H new ATOM 0 HE3 LYS C 16 3.182 -10.269 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 3.767 -7.913 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 2.553 -8.216 8.417 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 2.154 -7.510 9.909 1.00 0.00 H new ATOM 1521 N LEU C 17 0.338 -11.945 5.471 1.00 0.00 N ATOM 1522 CA LEU C 17 1.188 -12.931 4.819 1.00 0.00 C ATOM 1523 C LEU C 17 2.632 -12.455 4.811 1.00 0.00 C ATOM 1524 O LEU C 17 2.922 -11.350 4.356 1.00 0.00 O ATOM 1525 CB LEU C 17 0.728 -13.198 3.378 1.00 0.00 C ATOM 1526 CG LEU C 17 -0.681 -13.784 3.213 1.00 0.00 C ATOM 1527 CD1 LEU C 17 -1.744 -12.702 3.337 1.00 0.00 C ATOM 1528 CD2 LEU C 17 -0.805 -14.499 1.878 1.00 0.00 C ATOM 0 H LEU C 17 0.374 -11.015 5.053 1.00 0.00 H new ATOM 0 HA LEU C 17 1.112 -13.861 5.383 1.00 0.00 H new ATOM 0 HB2 LEU C 17 0.776 -12.261 2.824 1.00 0.00 H new ATOM 0 HB3 LEU C 17 1.439 -13.880 2.912 1.00 0.00 H new ATOM 0 HG LEU C 17 -0.841 -14.506 4.014 1.00 0.00 H new ATOM 0 HD11 LEU C 17 -2.732 -13.147 3.216 1.00 0.00 H new ATOM 0 HD12 LEU C 17 -1.675 -12.235 4.319 1.00 0.00 H new ATOM 0 HD13 LEU C 17 -1.588 -11.949 2.565 1.00 0.00 H new ATOM 0 HD21 LEU C 17 -1.810 -14.909 1.777 1.00 0.00 H new ATOM 0 HD22 LEU C 17 -0.617 -13.793 1.069 1.00 0.00 H new ATOM 0 HD23 LEU C 17 -0.077 -15.308 1.830 1.00 0.00 H new ATOM 1540 N VAL C 18 3.529 -13.282 5.323 1.00 0.00 N ATOM 1541 CA VAL C 18 4.946 -12.953 5.352 1.00 0.00 C ATOM 1542 C VAL C 18 5.759 -14.086 4.740 1.00 0.00 C ATOM 1543 O VAL C 18 5.680 -15.229 5.188 1.00 0.00 O ATOM 1544 CB VAL C 18 5.450 -12.682 6.788 1.00 0.00 C ATOM 1545 CG1 VAL C 18 6.922 -12.293 6.774 1.00 0.00 C ATOM 1546 CG2 VAL C 18 4.617 -11.600 7.460 1.00 0.00 C ATOM 0 H VAL C 18 3.300 -14.191 5.726 1.00 0.00 H new ATOM 0 HA VAL C 18 5.077 -12.041 4.770 1.00 0.00 H new ATOM 0 HB VAL C 18 5.342 -13.601 7.365 1.00 0.00 H new ATOM 0 HG11 VAL C 18 7.259 -12.106 7.794 1.00 0.00 H new ATOM 0 HG12 VAL C 18 7.508 -13.103 6.341 1.00 0.00 H new ATOM 0 HG13 VAL C 18 7.054 -11.391 6.177 1.00 0.00 H new ATOM 0 HG21 VAL C 18 4.991 -11.427 8.469 1.00 0.00 H new ATOM 0 HG22 VAL C 18 4.687 -10.677 6.884 1.00 0.00 H new ATOM 0 HG23 VAL C 18 3.576 -11.920 7.509 1.00 0.00 H new ATOM 1556 N PHE C 19 6.528 -13.766 3.714 1.00 0.00 N ATOM 1557 CA PHE C 19 7.340 -14.759 3.032 1.00 0.00 C ATOM 1558 C PHE C 19 8.820 -14.490 3.285 1.00 0.00 C ATOM 1559 O PHE C 19 9.270 -13.340 3.236 1.00 0.00 O ATOM 1560 CB PHE C 19 7.041 -14.747 1.530 1.00 0.00 C ATOM 1561 CG PHE C 19 7.710 -15.857 0.772 1.00 0.00 C ATOM 1562 CD1 PHE C 19 7.129 -17.113 0.705 1.00 0.00 C ATOM 1563 CD2 PHE C 19 8.917 -15.645 0.124 1.00 0.00 C ATOM 1564 CE1 PHE C 19 7.739 -18.136 0.007 1.00 0.00 C ATOM 1565 CE2 PHE C 19 9.531 -16.666 -0.574 1.00 0.00 C ATOM 1566 CZ PHE C 19 8.942 -17.913 -0.633 1.00 0.00 C ATOM 0 H PHE C 19 6.607 -12.823 3.334 1.00 0.00 H new ATOM 0 HA PHE C 19 7.094 -15.746 3.425 1.00 0.00 H new ATOM 0 HB2 PHE C 19 5.963 -14.817 1.383 1.00 0.00 H new ATOM 0 HB3 PHE C 19 7.359 -13.791 1.113 1.00 0.00 H new ATOM 0 HD1 PHE C 19 6.189 -17.294 1.204 1.00 0.00 H new ATOM 0 HD2 PHE C 19 9.382 -14.671 0.166 1.00 0.00 H new ATOM 0 HE1 PHE C 19 7.275 -19.110 -0.038 1.00 0.00 H new ATOM 0 HE2 PHE C 19 10.472 -16.489 -1.074 1.00 0.00 H new ATOM 0 HZ PHE C 19 9.421 -18.713 -1.179 1.00 0.00 H new ATOM 1576 N PHE C 20 9.566 -15.549 3.561 1.00 0.00 N ATOM 1577 CA PHE C 20 10.989 -15.441 3.844 1.00 0.00 C ATOM 1578 C PHE C 20 11.809 -16.091 2.736 1.00 0.00 C ATOM 1579 O PHE C 20 11.649 -17.278 2.446 1.00 0.00 O ATOM 1580 CB PHE C 20 11.322 -16.105 5.184 1.00 0.00 C ATOM 1581 CG PHE C 20 10.605 -15.509 6.362 1.00 0.00 C ATOM 1582 CD1 PHE C 20 11.161 -14.452 7.064 1.00 0.00 C ATOM 1583 CD2 PHE C 20 9.378 -16.009 6.772 1.00 0.00 C ATOM 1584 CE1 PHE C 20 10.508 -13.906 8.150 1.00 0.00 C ATOM 1585 CE2 PHE C 20 8.721 -15.465 7.858 1.00 0.00 C ATOM 1586 CZ PHE C 20 9.286 -14.412 8.547 1.00 0.00 C ATOM 0 H PHE C 20 9.205 -16.502 3.595 1.00 0.00 H new ATOM 0 HA PHE C 20 11.241 -14.382 3.897 1.00 0.00 H new ATOM 0 HB2 PHE C 20 11.077 -17.165 5.122 1.00 0.00 H new ATOM 0 HB3 PHE C 20 12.396 -16.036 5.354 1.00 0.00 H new ATOM 0 HD1 PHE C 20 12.116 -14.051 6.758 1.00 0.00 H new ATOM 0 HD2 PHE C 20 8.931 -16.833 6.236 1.00 0.00 H new ATOM 0 HE1 PHE C 20 10.953 -13.083 8.690 1.00 0.00 H new ATOM 0 HE2 PHE C 20 7.766 -15.863 8.167 1.00 0.00 H new ATOM 0 HZ PHE C 20 8.773 -13.984 9.396 1.00 0.00 H new ATOM 1703 N GLY C 29 19.372 -11.621 0.808 1.00 0.00 N ATOM 1704 CA GLY C 29 18.111 -12.216 1.201 1.00 0.00 C ATOM 1705 C GLY C 29 16.949 -11.281 0.974 1.00 0.00 C ATOM 1706 O GLY C 29 17.144 -10.097 0.709 1.00 0.00 O ATOM 0 HA2 GLY C 29 17.952 -13.135 0.637 1.00 0.00 H new ATOM 0 HA3 GLY C 29 18.153 -12.492 2.255 1.00 0.00 H new ATOM 1710 N ALA C 30 15.737 -11.797 1.084 1.00 0.00 N ATOM 1711 CA ALA C 30 14.554 -10.980 0.878 1.00 0.00 C ATOM 1712 C ALA C 30 13.426 -11.398 1.808 1.00 0.00 C ATOM 1713 O ALA C 30 13.112 -12.579 1.933 1.00 0.00 O ATOM 1714 CB ALA C 30 14.099 -11.058 -0.571 1.00 0.00 C ATOM 0 H ALA C 30 15.547 -12.772 1.314 1.00 0.00 H new ATOM 0 HA ALA C 30 14.817 -9.948 1.110 1.00 0.00 H new ATOM 0 HB1 ALA C 30 13.212 -10.440 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA C 30 14.895 -10.698 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA C 30 13.863 -12.092 -0.823 1.00 0.00 H new ATOM 1720 N ILE C 31 12.834 -10.424 2.469 1.00 0.00 N ATOM 1721 CA ILE C 31 11.670 -10.666 3.302 1.00 0.00 C ATOM 1722 C ILE C 31 10.535 -9.740 2.879 1.00 0.00 C ATOM 1723 O ILE C 31 10.739 -8.540 2.682 1.00 0.00 O ATOM 1724 CB ILE C 31 11.985 -10.477 4.808 1.00 0.00 C ATOM 1725 CG1 ILE C 31 10.717 -10.679 5.646 1.00 0.00 C ATOM 1726 CG2 ILE C 31 12.598 -9.107 5.070 1.00 0.00 C ATOM 1727 CD1 ILE C 31 10.939 -10.536 7.136 1.00 0.00 C ATOM 0 H ILE C 31 13.141 -9.452 2.446 1.00 0.00 H new ATOM 0 HA ILE C 31 11.368 -11.704 3.163 1.00 0.00 H new ATOM 0 HB ILE C 31 12.717 -11.229 5.103 1.00 0.00 H new ATOM 0 HG12 ILE C 31 9.965 -9.956 5.329 1.00 0.00 H new ATOM 0 HG13 ILE C 31 10.312 -11.670 5.442 1.00 0.00 H new ATOM 0 HG21 ILE C 31 12.809 -9.000 6.134 1.00 0.00 H new ATOM 0 HG22 ILE C 31 13.525 -9.009 4.504 1.00 0.00 H new ATOM 0 HG23 ILE C 31 11.899 -8.330 4.759 1.00 0.00 H new ATOM 0 HD11 ILE C 31 9.997 -10.693 7.661 1.00 0.00 H new ATOM 0 HD12 ILE C 31 11.667 -11.276 7.468 1.00 0.00 H new ATOM 0 HD13 ILE C 31 11.314 -9.536 7.354 1.00 0.00 H new ATOM 1739 N ILE C 32 9.350 -10.302 2.707 1.00 0.00 N ATOM 1740 CA ILE C 32 8.199 -9.525 2.284 1.00 0.00 C ATOM 1741 C ILE C 32 6.974 -9.861 3.124 1.00 0.00 C ATOM 1742 O ILE C 32 6.606 -11.025 3.276 1.00 0.00 O ATOM 1743 CB ILE C 32 7.890 -9.739 0.781 1.00 0.00 C ATOM 1744 CG1 ILE C 32 6.569 -9.059 0.401 1.00 0.00 C ATOM 1745 CG2 ILE C 32 7.855 -11.224 0.439 1.00 0.00 C ATOM 1746 CD1 ILE C 32 6.266 -9.102 -1.080 1.00 0.00 C ATOM 0 H ILE C 32 9.161 -11.293 2.854 1.00 0.00 H new ATOM 0 HA ILE C 32 8.447 -8.474 2.433 1.00 0.00 H new ATOM 0 HB ILE C 32 8.690 -9.280 0.199 1.00 0.00 H new ATOM 0 HG12 ILE C 32 5.755 -9.539 0.943 1.00 0.00 H new ATOM 0 HG13 ILE C 32 6.599 -8.019 0.726 1.00 0.00 H new ATOM 0 HG21 ILE C 32 7.636 -11.348 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE C 32 8.823 -11.672 0.665 1.00 0.00 H new ATOM 0 HG23 ILE C 32 7.081 -11.715 1.029 1.00 0.00 H new ATOM 0 HD11 ILE C 32 5.317 -8.602 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.060 -8.596 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE C 32 6.202 -10.139 -1.408 1.00 0.00 H new ATOM 1758 N GLY C 33 6.361 -8.830 3.683 1.00 0.00 N ATOM 1759 CA GLY C 33 5.166 -9.018 4.475 1.00 0.00 C ATOM 1760 C GLY C 33 4.046 -8.110 4.018 1.00 0.00 C ATOM 1761 O GLY C 33 4.273 -6.931 3.749 1.00 0.00 O ATOM 0 H GLY C 33 6.672 -7.862 3.601 1.00 0.00 H new ATOM 0 HA2 GLY C 33 4.843 -10.057 4.407 1.00 0.00 H new ATOM 0 HA3 GLY C 33 5.389 -8.822 5.524 1.00 0.00 H new ATOM 1765 N LEU C 34 2.848 -8.659 3.914 1.00 0.00 N ATOM 1766 CA LEU C 34 1.687 -7.901 3.472 1.00 0.00 C ATOM 1767 C LEU C 34 0.490 -8.200 4.362 1.00 0.00 C ATOM 1768 O LEU C 34 0.128 -9.360 4.557 1.00 0.00 O ATOM 1769 CB LEU C 34 1.355 -8.241 2.015 1.00 0.00 C ATOM 1770 CG LEU C 34 0.129 -7.530 1.435 1.00 0.00 C ATOM 1771 CD1 LEU C 34 0.367 -6.031 1.340 1.00 0.00 C ATOM 1772 CD2 LEU C 34 -0.222 -8.102 0.070 1.00 0.00 C ATOM 0 H LEU C 34 2.652 -9.636 4.132 1.00 0.00 H new ATOM 0 HA LEU C 34 1.920 -6.838 3.542 1.00 0.00 H new ATOM 0 HB2 LEU C 34 2.220 -7.999 1.397 1.00 0.00 H new ATOM 0 HB3 LEU C 34 1.200 -9.317 1.938 1.00 0.00 H new ATOM 0 HG LEU C 34 -0.712 -7.698 2.108 1.00 0.00 H new ATOM 0 HD11 LEU C 34 -0.518 -5.548 0.925 1.00 0.00 H new ATOM 0 HD12 LEU C 34 0.567 -5.631 2.334 1.00 0.00 H new ATOM 0 HD13 LEU C 34 1.223 -5.839 0.693 1.00 0.00 H new ATOM 0 HD21 LEU C 34 -1.096 -7.585 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU C 34 0.620 -7.966 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU C 34 -0.442 -9.165 0.167 1.00 0.00 H new ATOM 1784 N MET C 35 -0.111 -7.157 4.911 1.00 0.00 N ATOM 1785 CA MET C 35 -1.293 -7.310 5.742 1.00 0.00 C ATOM 1786 C MET C 35 -2.458 -6.525 5.153 1.00 0.00 C ATOM 1787 O MET C 35 -2.306 -5.364 4.767 1.00 0.00 O ATOM 1788 CB MET C 35 -1.019 -6.836 7.173 1.00 0.00 C ATOM 1789 CG MET C 35 -2.221 -6.983 8.093 1.00 0.00 C ATOM 1790 SD MET C 35 -1.914 -6.366 9.758 1.00 0.00 S ATOM 1791 CE MET C 35 -3.514 -6.648 10.512 1.00 0.00 C ATOM 0 H MET C 35 0.202 -6.193 4.795 1.00 0.00 H new ATOM 0 HA MET C 35 -1.552 -8.368 5.770 1.00 0.00 H new ATOM 0 HB2 MET C 35 -0.184 -7.404 7.583 1.00 0.00 H new ATOM 0 HB3 MET C 35 -0.713 -5.790 7.150 1.00 0.00 H new ATOM 0 HG2 MET C 35 -3.068 -6.447 7.664 1.00 0.00 H new ATOM 0 HG3 MET C 35 -2.503 -8.034 8.148 1.00 0.00 H new ATOM 0 HE1 MET C 35 -3.490 -6.317 11.550 1.00 0.00 H new ATOM 0 HE2 MET C 35 -4.276 -6.087 9.970 1.00 0.00 H new ATOM 0 HE3 MET C 35 -3.751 -7.711 10.475 1.00 0.00 H new ATOM 1801 N VAL C 36 -3.611 -7.166 5.074 1.00 0.00 N ATOM 1802 CA VAL C 36 -4.808 -6.520 4.565 1.00 0.00 C ATOM 1803 C VAL C 36 -5.920 -6.592 5.601 1.00 0.00 C ATOM 1804 O VAL C 36 -6.184 -7.656 6.163 1.00 0.00 O ATOM 1805 CB VAL C 36 -5.295 -7.172 3.251 1.00 0.00 C ATOM 1806 CG1 VAL C 36 -6.488 -6.415 2.681 1.00 0.00 C ATOM 1807 CG2 VAL C 36 -4.168 -7.246 2.230 1.00 0.00 C ATOM 0 H VAL C 36 -3.744 -8.137 5.357 1.00 0.00 H new ATOM 0 HA VAL C 36 -4.556 -5.480 4.359 1.00 0.00 H new ATOM 0 HB VAL C 36 -5.613 -8.189 3.478 1.00 0.00 H new ATOM 0 HG11 VAL C 36 -6.814 -6.892 1.756 1.00 0.00 H new ATOM 0 HG12 VAL C 36 -7.305 -6.427 3.403 1.00 0.00 H new ATOM 0 HG13 VAL C 36 -6.200 -5.384 2.476 1.00 0.00 H new ATOM 0 HG21 VAL C 36 -4.536 -7.709 1.314 1.00 0.00 H new ATOM 0 HG22 VAL C 36 -3.810 -6.240 2.010 1.00 0.00 H new ATOM 0 HG23 VAL C 36 -3.350 -7.842 2.634 1.00 0.00 H new ATOM 1817 N GLY C 37 -6.553 -5.460 5.856 1.00 0.00 N ATOM 1818 CA GLY C 37 -7.662 -5.419 6.785 1.00 0.00 C ATOM 1819 C GLY C 37 -8.833 -4.665 6.204 1.00 0.00 C ATOM 1820 O GLY C 37 -8.665 -3.560 5.693 1.00 0.00 O ATOM 0 H GLY C 37 -6.317 -4.562 5.433 1.00 0.00 H new ATOM 0 HA2 GLY C 37 -7.968 -6.435 7.035 1.00 0.00 H new ATOM 0 HA3 GLY C 37 -7.345 -4.944 7.713 1.00 0.00 H new ATOM 1824 N GLY C 38 -10.014 -5.254 6.271 1.00 0.00 N ATOM 1825 CA GLY C 38 -11.172 -4.640 5.666 1.00 0.00 C ATOM 1826 C GLY C 38 -12.425 -4.801 6.494 1.00 0.00 C ATOM 1827 O GLY C 38 -12.545 -5.738 7.285 1.00 0.00 O ATOM 0 H GLY C 38 -10.191 -6.146 6.733 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -10.977 -3.578 5.515 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -11.335 -5.077 4.681 1.00 0.00 H new ATOM 1831 N VAL C 39 -13.361 -3.887 6.302 1.00 0.00 N ATOM 1832 CA VAL C 39 -14.608 -3.889 7.045 1.00 0.00 C ATOM 1833 C VAL C 39 -15.789 -3.959 6.085 1.00 0.00 C ATOM 1834 O VAL C 39 -15.863 -3.195 5.123 1.00 0.00 O ATOM 1835 CB VAL C 39 -14.747 -2.630 7.934 1.00 0.00 C ATOM 1836 CG1 VAL C 39 -16.041 -2.665 8.733 1.00 0.00 C ATOM 1837 CG2 VAL C 39 -13.552 -2.492 8.864 1.00 0.00 C ATOM 0 H VAL C 39 -13.278 -3.125 5.629 1.00 0.00 H new ATOM 0 HA VAL C 39 -14.601 -4.766 7.692 1.00 0.00 H new ATOM 0 HB VAL C 39 -14.776 -1.760 7.278 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -16.113 -1.768 9.349 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -16.889 -2.705 8.050 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -16.049 -3.547 9.374 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -13.671 -1.600 9.479 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -13.487 -3.370 9.506 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -12.640 -2.406 8.274 1.00 0.00 H new ATOM 1847 N VAL C 40 -16.690 -4.891 6.342 1.00 0.00 N ATOM 1848 CA VAL C 40 -17.891 -5.044 5.539 1.00 0.00 C ATOM 1849 C VAL C 40 -19.096 -4.516 6.306 1.00 0.00 C ATOM 1850 O VAL C 40 -19.516 -5.107 7.300 1.00 0.00 O ATOM 1851 CB VAL C 40 -18.135 -6.520 5.160 1.00 0.00 C ATOM 1852 CG1 VAL C 40 -19.354 -6.649 4.260 1.00 0.00 C ATOM 1853 CG2 VAL C 40 -16.906 -7.119 4.490 1.00 0.00 C ATOM 0 H VAL C 40 -16.611 -5.559 7.108 1.00 0.00 H new ATOM 0 HA VAL C 40 -17.752 -4.473 4.621 1.00 0.00 H new ATOM 0 HB VAL C 40 -18.326 -7.078 6.077 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -19.508 -7.697 4.005 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -20.233 -6.269 4.781 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -19.196 -6.073 3.348 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -17.103 -8.160 4.232 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -16.676 -6.558 3.584 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -16.058 -7.068 5.173 1.00 0.00 H new ATOM 1863 N ILE C 41 -19.634 -3.396 5.852 1.00 0.00 N ATOM 1864 CA ILE C 41 -20.777 -2.771 6.503 1.00 0.00 C ATOM 1865 C ILE C 41 -22.053 -3.087 5.736 1.00 0.00 C ATOM 1866 O ILE C 41 -22.255 -2.585 4.633 1.00 0.00 O ATOM 1867 CB ILE C 41 -20.606 -1.239 6.587 1.00 0.00 C ATOM 1868 CG1 ILE C 41 -19.278 -0.884 7.263 1.00 0.00 C ATOM 1869 CG2 ILE C 41 -21.771 -0.616 7.344 1.00 0.00 C ATOM 1870 CD1 ILE C 41 -18.976 0.598 7.265 1.00 0.00 C ATOM 0 H ILE C 41 -19.296 -2.897 5.029 1.00 0.00 H new ATOM 0 HA ILE C 41 -20.842 -3.172 7.514 1.00 0.00 H new ATOM 0 HB ILE C 41 -20.596 -0.836 5.574 1.00 0.00 H new ATOM 0 HG12 ILE C 41 -19.296 -1.244 8.292 1.00 0.00 H new ATOM 0 HG13 ILE C 41 -18.470 -1.410 6.755 1.00 0.00 H new ATOM 0 HG21 ILE C 41 -21.636 0.464 7.395 1.00 0.00 H new ATOM 0 HG22 ILE C 41 -22.703 -0.841 6.826 1.00 0.00 H new ATOM 0 HG23 ILE C 41 -21.809 -1.025 8.354 1.00 0.00 H new ATOM 0 HD11 ILE C 41 -18.021 0.774 7.760 1.00 0.00 H new ATOM 0 HD12 ILE C 41 -18.925 0.960 6.238 1.00 0.00 H new ATOM 0 HD13 ILE C 41 -19.764 1.129 7.798 1.00 0.00 H new ATOM 2341 N ALA D 30 -21.171 -2.474 2.135 1.00 0.00 N ATOM 2342 CA ALA D 30 -20.009 -1.737 1.667 1.00 0.00 C ATOM 2343 C ALA D 30 -18.738 -2.420 2.149 1.00 0.00 C ATOM 2344 O ALA D 30 -18.590 -2.696 3.341 1.00 0.00 O ATOM 2345 CB ALA D 30 -20.059 -0.297 2.156 1.00 0.00 C ATOM 0 HA ALA D 30 -20.013 -1.726 0.577 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -19.181 0.240 1.796 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -20.960 0.185 1.777 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -20.071 -0.283 3.246 1.00 0.00 H new ATOM 2351 N ILE D 31 -17.832 -2.700 1.227 1.00 0.00 N ATOM 2352 CA ILE D 31 -16.620 -3.433 1.554 1.00 0.00 C ATOM 2353 C ILE D 31 -15.386 -2.580 1.298 1.00 0.00 C ATOM 2354 O ILE D 31 -15.076 -2.243 0.157 1.00 0.00 O ATOM 2355 CB ILE D 31 -16.509 -4.740 0.735 1.00 0.00 C ATOM 2356 CG1 ILE D 31 -17.754 -5.609 0.940 1.00 0.00 C ATOM 2357 CG2 ILE D 31 -15.254 -5.509 1.126 1.00 0.00 C ATOM 2358 CD1 ILE D 31 -17.769 -6.869 0.099 1.00 0.00 C ATOM 0 H ILE D 31 -17.913 -2.431 0.246 1.00 0.00 H new ATOM 0 HA ILE D 31 -16.676 -3.685 2.613 1.00 0.00 H new ATOM 0 HB ILE D 31 -16.440 -4.479 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE D 31 -17.823 -5.885 1.992 1.00 0.00 H new ATOM 0 HG13 ILE D 31 -18.640 -5.018 0.707 1.00 0.00 H new ATOM 0 HG21 ILE D 31 -15.192 -6.426 0.540 1.00 0.00 H new ATOM 0 HG22 ILE D 31 -14.375 -4.894 0.932 1.00 0.00 H new ATOM 0 HG23 ILE D 31 -15.296 -5.758 2.186 1.00 0.00 H new ATOM 0 HD11 ILE D 31 -18.682 -7.430 0.300 1.00 0.00 H new ATOM 0 HD12 ILE D 31 -17.733 -6.602 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE D 31 -16.903 -7.483 0.348 1.00 0.00 H new ATOM 2370 N ILE D 32 -14.693 -2.218 2.362 1.00 0.00 N ATOM 2371 CA ILE D 32 -13.445 -1.485 2.235 1.00 0.00 C ATOM 2372 C ILE D 32 -12.285 -2.368 2.670 1.00 0.00 C ATOM 2373 O ILE D 32 -12.477 -3.307 3.438 1.00 0.00 O ATOM 2374 CB ILE D 32 -13.458 -0.163 3.046 1.00 0.00 C ATOM 2375 CG1 ILE D 32 -13.735 -0.408 4.537 1.00 0.00 C ATOM 2376 CG2 ILE D 32 -14.488 0.797 2.470 1.00 0.00 C ATOM 2377 CD1 ILE D 32 -12.492 -0.685 5.358 1.00 0.00 C ATOM 0 H ILE D 32 -14.972 -2.419 3.322 1.00 0.00 H new ATOM 0 HA ILE D 32 -13.322 -1.213 1.187 1.00 0.00 H new ATOM 0 HB ILE D 32 -12.466 0.282 2.965 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -14.243 0.463 4.949 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -14.418 -1.252 4.635 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -14.487 1.721 3.048 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -14.239 1.018 1.432 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -15.477 0.341 2.517 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -12.772 -0.847 6.399 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -11.993 -1.575 4.974 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -11.816 0.167 5.293 1.00 0.00 H new ATOM 2389 N GLY D 33 -11.098 -2.082 2.163 1.00 0.00 N ATOM 2390 CA GLY D 33 -9.931 -2.859 2.523 1.00 0.00 C ATOM 2391 C GLY D 33 -8.663 -2.034 2.496 1.00 0.00 C ATOM 2392 O GLY D 33 -8.408 -1.308 1.537 1.00 0.00 O ATOM 0 H GLY D 33 -10.920 -1.323 1.506 1.00 0.00 H new ATOM 0 HA2 GLY D 33 -10.069 -3.277 3.520 1.00 0.00 H new ATOM 0 HA3 GLY D 33 -9.830 -3.699 1.836 1.00 0.00 H new ATOM 2396 N LEU D 34 -7.878 -2.129 3.553 1.00 0.00 N ATOM 2397 CA LEU D 34 -6.619 -1.407 3.642 1.00 0.00 C ATOM 2398 C LEU D 34 -5.453 -2.373 3.489 1.00 0.00 C ATOM 2399 O LEU D 34 -5.370 -3.373 4.203 1.00 0.00 O ATOM 2400 CB LEU D 34 -6.524 -0.676 4.982 1.00 0.00 C ATOM 2401 CG LEU D 34 -7.675 0.289 5.283 1.00 0.00 C ATOM 2402 CD1 LEU D 34 -7.488 0.928 6.647 1.00 0.00 C ATOM 2403 CD2 LEU D 34 -7.778 1.360 4.206 1.00 0.00 C ATOM 0 H LEU D 34 -8.091 -2.703 4.369 1.00 0.00 H new ATOM 0 HA LEU D 34 -6.577 -0.672 2.838 1.00 0.00 H new ATOM 0 HB2 LEU D 34 -6.475 -1.418 5.779 1.00 0.00 H new ATOM 0 HB3 LEU D 34 -5.588 -0.118 5.008 1.00 0.00 H new ATOM 0 HG LEU D 34 -8.604 -0.281 5.289 1.00 0.00 H new ATOM 0 HD11 LEU D 34 -8.314 1.611 6.845 1.00 0.00 H new ATOM 0 HD12 LEU D 34 -7.467 0.152 7.412 1.00 0.00 H new ATOM 0 HD13 LEU D 34 -6.549 1.481 6.664 1.00 0.00 H new ATOM 0 HD21 LEU D 34 -8.602 2.034 4.441 1.00 0.00 H new ATOM 0 HD22 LEU D 34 -6.847 1.926 4.165 1.00 0.00 H new ATOM 0 HD23 LEU D 34 -7.959 0.888 3.240 1.00 0.00 H new ATOM 2415 N MET D 35 -4.561 -2.076 2.555 1.00 0.00 N ATOM 2416 CA MET D 35 -3.436 -2.955 2.268 1.00 0.00 C ATOM 2417 C MET D 35 -2.123 -2.284 2.654 1.00 0.00 C ATOM 2418 O MET D 35 -1.801 -1.205 2.160 1.00 0.00 O ATOM 2419 CB MET D 35 -3.414 -3.316 0.778 1.00 0.00 C ATOM 2420 CG MET D 35 -4.701 -3.961 0.286 1.00 0.00 C ATOM 2421 SD MET D 35 -4.649 -4.396 -1.465 1.00 0.00 S ATOM 2422 CE MET D 35 -4.420 -2.788 -2.223 1.00 0.00 C ATOM 0 H MET D 35 -4.594 -1.232 1.982 1.00 0.00 H new ATOM 0 HA MET D 35 -3.552 -3.866 2.855 1.00 0.00 H new ATOM 0 HB2 MET D 35 -3.225 -2.413 0.197 1.00 0.00 H new ATOM 0 HB3 MET D 35 -2.583 -3.995 0.590 1.00 0.00 H new ATOM 0 HG2 MET D 35 -4.898 -4.859 0.872 1.00 0.00 H new ATOM 0 HG3 MET D 35 -5.533 -3.278 0.460 1.00 0.00 H new ATOM 0 HE1 MET D 35 -4.668 -2.847 -3.283 1.00 0.00 H new ATOM 0 HE2 MET D 35 -5.071 -2.061 -1.738 1.00 0.00 H new ATOM 0 HE3 MET D 35 -3.381 -2.477 -2.110 1.00 0.00 H new ATOM 2432 N VAL D 36 -1.374 -2.921 3.543 1.00 0.00 N ATOM 2433 CA VAL D 36 -0.084 -2.396 3.977 1.00 0.00 C ATOM 2434 C VAL D 36 0.970 -3.498 3.940 1.00 0.00 C ATOM 2435 O VAL D 36 0.779 -4.570 4.518 1.00 0.00 O ATOM 2436 CB VAL D 36 -0.157 -1.804 5.406 1.00 0.00 C ATOM 2437 CG1 VAL D 36 1.196 -1.253 5.832 1.00 0.00 C ATOM 2438 CG2 VAL D 36 -1.222 -0.721 5.490 1.00 0.00 C ATOM 0 H VAL D 36 -1.637 -3.804 3.980 1.00 0.00 H new ATOM 0 HA VAL D 36 0.191 -1.596 3.290 1.00 0.00 H new ATOM 0 HB VAL D 36 -0.431 -2.608 6.089 1.00 0.00 H new ATOM 0 HG11 VAL D 36 1.121 -0.842 6.839 1.00 0.00 H new ATOM 0 HG12 VAL D 36 1.935 -2.054 5.821 1.00 0.00 H new ATOM 0 HG13 VAL D 36 1.503 -0.467 5.142 1.00 0.00 H new ATOM 0 HG21 VAL D 36 -1.254 -0.320 6.503 1.00 0.00 H new ATOM 0 HG22 VAL D 36 -0.982 0.080 4.791 1.00 0.00 H new ATOM 0 HG23 VAL D 36 -2.193 -1.146 5.236 1.00 0.00 H new ATOM 2448 N GLY D 37 2.076 -3.238 3.258 1.00 0.00 N ATOM 2449 CA GLY D 37 3.117 -4.234 3.133 1.00 0.00 C ATOM 2450 C GLY D 37 4.503 -3.630 3.052 1.00 0.00 C ATOM 2451 O GLY D 37 4.653 -2.421 2.869 1.00 0.00 O ATOM 0 H GLY D 37 2.270 -2.353 2.789 1.00 0.00 H new ATOM 0 HA2 GLY D 37 3.070 -4.910 3.986 1.00 0.00 H new ATOM 0 HA3 GLY D 37 2.934 -4.833 2.241 1.00 0.00 H new ATOM 2455 N GLY D 38 5.515 -4.471 3.189 1.00 0.00 N ATOM 2456 CA GLY D 38 6.884 -4.009 3.124 1.00 0.00 C ATOM 2457 C GLY D 38 7.823 -5.090 2.634 1.00 0.00 C ATOM 2458 O GLY D 38 7.647 -6.265 2.960 1.00 0.00 O ATOM 0 H GLY D 38 5.411 -5.474 3.345 1.00 0.00 H new ATOM 0 HA2 GLY D 38 6.945 -3.147 2.460 1.00 0.00 H new ATOM 0 HA3 GLY D 38 7.201 -3.673 4.111 1.00 0.00 H new ATOM 2462 N VAL D 39 8.808 -4.695 1.840 1.00 0.00 N ATOM 2463 CA VAL D 39 9.790 -5.626 1.300 1.00 0.00 C ATOM 2464 C VAL D 39 11.198 -5.179 1.674 1.00 0.00 C ATOM 2465 O VAL D 39 11.545 -4.010 1.511 1.00 0.00 O ATOM 2466 CB VAL D 39 9.696 -5.720 -0.239 1.00 0.00 C ATOM 2467 CG1 VAL D 39 10.614 -6.811 -0.771 1.00 0.00 C ATOM 2468 CG2 VAL D 39 8.263 -5.959 -0.685 1.00 0.00 C ATOM 0 H VAL D 39 8.949 -3.726 1.553 1.00 0.00 H new ATOM 0 HA VAL D 39 9.577 -6.606 1.728 1.00 0.00 H new ATOM 0 HB VAL D 39 10.023 -4.766 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.531 -6.859 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL D 39 11.644 -6.586 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL D 39 10.325 -7.771 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL D 39 8.226 -6.021 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL D 39 7.899 -6.893 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL D 39 7.635 -5.135 -0.347 1.00 0.00 H new ATOM 2478 N VAL D 40 11.999 -6.099 2.189 1.00 0.00 N ATOM 2479 CA VAL D 40 13.389 -5.805 2.507 1.00 0.00 C ATOM 2480 C VAL D 40 14.310 -6.801 1.817 1.00 0.00 C ATOM 2481 O VAL D 40 14.282 -7.996 2.117 1.00 0.00 O ATOM 2482 CB VAL D 40 13.652 -5.833 4.030 1.00 0.00 C ATOM 2483 CG1 VAL D 40 15.116 -5.545 4.334 1.00 0.00 C ATOM 2484 CG2 VAL D 40 12.753 -4.838 4.748 1.00 0.00 C ATOM 0 H VAL D 40 11.711 -7.055 2.396 1.00 0.00 H new ATOM 0 HA VAL D 40 13.596 -4.798 2.146 1.00 0.00 H new ATOM 0 HB VAL D 40 13.419 -6.834 4.394 1.00 0.00 H new ATOM 0 HG11 VAL D 40 15.276 -5.570 5.412 1.00 0.00 H new ATOM 0 HG12 VAL D 40 15.742 -6.299 3.857 1.00 0.00 H new ATOM 0 HG13 VAL D 40 15.380 -4.559 3.951 1.00 0.00 H new ATOM 0 HG21 VAL D 40 12.954 -4.873 5.819 1.00 0.00 H new ATOM 0 HG22 VAL D 40 12.951 -3.833 4.375 1.00 0.00 H new ATOM 0 HG23 VAL D 40 11.709 -5.094 4.566 1.00 0.00 H new ATOM 2494 N ILE D 41 15.104 -6.307 0.880 1.00 0.00 N ATOM 2495 CA ILE D 41 16.070 -7.134 0.176 1.00 0.00 C ATOM 2496 C ILE D 41 17.489 -6.730 0.566 1.00 0.00 C ATOM 2497 O ILE D 41 17.962 -5.651 0.193 1.00 0.00 O ATOM 2498 CB ILE D 41 15.905 -7.015 -1.354 1.00 0.00 C ATOM 2499 CG1 ILE D 41 14.473 -7.371 -1.765 1.00 0.00 C ATOM 2500 CG2 ILE D 41 16.906 -7.914 -2.068 1.00 0.00 C ATOM 2501 CD1 ILE D 41 14.197 -7.191 -3.243 1.00 0.00 C ATOM 0 H ILE D 41 15.097 -5.330 0.588 1.00 0.00 H new ATOM 0 HA ILE D 41 15.890 -8.170 0.462 1.00 0.00 H new ATOM 0 HB ILE D 41 16.101 -5.983 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE D 41 14.274 -8.407 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE D 41 13.778 -6.752 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE D 41 16.776 -7.818 -3.146 1.00 0.00 H new ATOM 0 HG22 ILE D 41 17.919 -7.618 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE D 41 16.740 -8.950 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE D 41 13.163 -7.463 -3.456 1.00 0.00 H new ATOM 0 HD12 ILE D 41 14.363 -6.150 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE D 41 14.866 -7.830 -3.819 1.00 0.00 H new ATOM 2513 N ALA D 42 18.151 -7.602 1.314 1.00 0.00 N ATOM 2514 CA ALA D 42 19.494 -7.353 1.817 1.00 0.00 C ATOM 2515 C ALA D 42 20.004 -8.588 2.552 1.00 0.00 C ATOM 2516 O ALA D 42 20.606 -9.463 1.899 1.00 0.00 O ATOM 2517 CB ALA D 42 19.508 -6.142 2.742 1.00 0.00 C ATOM 2518 OXT ALA D 42 19.777 -8.686 3.774 1.00 0.00 O ATOM 0 H ALA D 42 17.769 -8.507 1.590 1.00 0.00 H new ATOM 0 HA ALA D 42 20.151 -7.142 0.973 1.00 0.00 H new ATOM 0 HB1 ALA D 42 20.521 -5.974 3.106 1.00 0.00 H new ATOM 0 HB2 ALA D 42 19.169 -5.262 2.195 1.00 0.00 H new ATOM 0 HB3 ALA D 42 18.844 -6.322 3.587 1.00 0.00 H new