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= 1.07 K(o=1.1,f=-5.4!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 15 GLN : amide:sc= -0.881 K(o=-0.88,f=-0.04) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= -0.0131 (180deg=-0.148) USER MOD Single : A 35 MET CE :methyl -160:sc= -0.169 (180deg=-0.763) USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 10 TYR OH : rot 180:sc= 0 USER MOD Single : C 13 HIS : no HD1:sc= 1 K(o=1,f=-5.2!) USER MOD Single : C 14 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : C 15 GLN : amide:sc= -0.836 K(o=-0.84,f=-0.048) USER MOD Single : C 16 LYS NZ :NH3+ -173:sc= -0.0123 (180deg=-0.158) USER MOD Single : C 35 MET CE :methyl -148:sc= -0.186 (180deg=-0.855) USER MOD Single : D 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N TYR A 10 21.195 7.026 -6.306 1.00 0.00 N ATOM 133 CA TYR A 10 19.947 6.327 -6.079 1.00 0.00 C ATOM 134 C TYR A 10 18.892 6.829 -7.047 1.00 0.00 C ATOM 135 O TYR A 10 19.026 7.914 -7.611 1.00 0.00 O ATOM 136 CB TYR A 10 19.467 6.522 -4.632 1.00 0.00 C ATOM 137 CG TYR A 10 18.928 7.907 -4.333 1.00 0.00 C ATOM 138 CD1 TYR A 10 17.560 8.137 -4.260 1.00 0.00 C ATOM 139 CD2 TYR A 10 19.783 8.981 -4.123 1.00 0.00 C ATOM 140 CE1 TYR A 10 17.059 9.394 -3.989 1.00 0.00 C ATOM 141 CE2 TYR A 10 19.290 10.244 -3.851 1.00 0.00 C ATOM 142 CZ TYR A 10 17.927 10.444 -3.784 1.00 0.00 C ATOM 143 OH TYR A 10 17.430 11.697 -3.516 1.00 0.00 O ATOM 0 HA TYR A 10 20.112 5.262 -6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 10 18.690 5.789 -4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 10 20.296 6.314 -3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 10 16.876 7.317 -4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 10 20.851 8.827 -4.173 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.992 9.554 -3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 10 19.968 11.069 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 10 18.173 12.325 -3.396 1.00 0.00 H new ATOM 153 N GLU A 11 17.859 6.034 -7.247 1.00 0.00 N ATOM 154 CA GLU A 11 16.746 6.432 -8.089 1.00 0.00 C ATOM 155 C GLU A 11 15.431 6.104 -7.395 1.00 0.00 C ATOM 156 O GLU A 11 15.240 4.990 -6.902 1.00 0.00 O ATOM 157 CB GLU A 11 16.830 5.734 -9.449 1.00 0.00 C ATOM 158 CG GLU A 11 15.815 6.241 -10.457 1.00 0.00 C ATOM 159 CD GLU A 11 16.039 5.674 -11.843 1.00 0.00 C ATOM 160 OE1 GLU A 11 16.871 6.231 -12.586 1.00 0.00 O ATOM 161 OE2 GLU A 11 15.374 4.676 -12.194 1.00 0.00 O ATOM 0 H GLU A 11 17.767 5.105 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 11 16.794 7.508 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.832 5.869 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.685 4.663 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.812 5.981 -10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.864 7.329 -10.501 1.00 0.00 H new ATOM 168 N VAL A 12 14.541 7.079 -7.335 1.00 0.00 N ATOM 169 CA VAL A 12 13.254 6.895 -6.684 1.00 0.00 C ATOM 170 C VAL A 12 12.169 6.588 -7.715 1.00 0.00 C ATOM 171 O VAL A 12 12.143 7.167 -8.801 1.00 0.00 O ATOM 172 CB VAL A 12 12.857 8.137 -5.846 1.00 0.00 C ATOM 173 CG1 VAL A 12 12.734 9.374 -6.722 1.00 0.00 C ATOM 174 CG2 VAL A 12 11.563 7.890 -5.083 1.00 0.00 C ATOM 0 H VAL A 12 14.686 8.008 -7.730 1.00 0.00 H new ATOM 0 HA VAL A 12 13.349 6.047 -6.005 1.00 0.00 H new ATOM 0 HB VAL A 12 13.652 8.314 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.455 10.229 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 12 13.690 9.573 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.970 9.208 -7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.307 8.777 -4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.760 7.674 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.693 7.042 -4.410 1.00 0.00 H new ATOM 184 N HIS A 13 11.295 5.654 -7.381 1.00 0.00 N ATOM 185 CA HIS A 13 10.198 5.279 -8.259 1.00 0.00 C ATOM 186 C HIS A 13 8.886 5.349 -7.495 1.00 0.00 C ATOM 187 O HIS A 13 8.806 4.893 -6.356 1.00 0.00 O ATOM 188 CB HIS A 13 10.398 3.861 -8.802 1.00 0.00 C ATOM 189 CG HIS A 13 11.708 3.651 -9.493 1.00 0.00 C ATOM 190 ND1 HIS A 13 12.683 2.812 -9.008 1.00 0.00 N ATOM 191 CD2 HIS A 13 12.200 4.173 -10.638 1.00 0.00 C ATOM 192 CE1 HIS A 13 13.719 2.830 -9.821 1.00 0.00 C ATOM 193 NE2 HIS A 13 13.453 3.646 -10.821 1.00 0.00 N ATOM 0 H HIS A 13 11.324 5.138 -6.502 1.00 0.00 H new ATOM 0 HA HIS A 13 10.174 5.974 -9.099 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.317 3.153 -7.977 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.591 3.633 -9.499 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.699 4.875 -11.288 1.00 0.00 H new ATOM 0 HE1 HIS A 13 14.633 2.270 -9.690 1.00 0.00 H new ATOM 0 HE2 HIS A 13 14.076 3.852 -11.602 1.00 0.00 H new ATOM 202 N HIS A 14 7.865 5.920 -8.111 1.00 0.00 N ATOM 203 CA HIS A 14 6.559 6.016 -7.477 1.00 0.00 C ATOM 204 C HIS A 14 5.458 5.945 -8.526 1.00 0.00 C ATOM 205 O HIS A 14 5.547 6.576 -9.577 1.00 0.00 O ATOM 206 CB HIS A 14 6.447 7.320 -6.675 1.00 0.00 C ATOM 207 CG HIS A 14 5.190 7.429 -5.865 1.00 0.00 C ATOM 208 ND1 HIS A 14 4.231 8.395 -6.081 1.00 0.00 N ATOM 209 CD2 HIS A 14 4.745 6.690 -4.823 1.00 0.00 C ATOM 210 CE1 HIS A 14 3.252 8.242 -5.209 1.00 0.00 C ATOM 211 NE2 HIS A 14 3.539 7.215 -4.433 1.00 0.00 N ATOM 0 H HIS A 14 7.914 6.323 -9.047 1.00 0.00 H new ATOM 0 HA HIS A 14 6.443 5.177 -6.791 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.305 7.400 -6.008 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.499 8.164 -7.363 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.247 5.843 -4.380 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.365 8.855 -5.142 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.960 6.868 -3.669 1.00 0.00 H new ATOM 220 N GLN A 15 4.426 5.172 -8.233 1.00 0.00 N ATOM 221 CA GLN A 15 3.293 5.025 -9.132 1.00 0.00 C ATOM 222 C GLN A 15 2.027 4.803 -8.317 1.00 0.00 C ATOM 223 O GLN A 15 2.022 4.010 -7.376 1.00 0.00 O ATOM 224 CB GLN A 15 3.533 3.847 -10.086 1.00 0.00 C ATOM 225 CG GLN A 15 2.435 3.617 -11.120 1.00 0.00 C ATOM 226 CD GLN A 15 2.259 4.780 -12.081 1.00 0.00 C ATOM 227 OE1 GLN A 15 2.950 4.870 -13.093 1.00 0.00 O ATOM 228 NE2 GLN A 15 1.298 5.647 -11.799 1.00 0.00 N ATOM 0 H GLN A 15 4.349 4.632 -7.371 1.00 0.00 H new ATOM 0 HA GLN A 15 3.177 5.932 -9.726 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.475 4.010 -10.609 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.650 2.939 -9.495 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.665 2.716 -11.689 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.492 3.436 -10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.746 5.538 -10.948 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.110 6.424 -12.433 1.00 0.00 H new ATOM 237 N LYS A 16 0.973 5.524 -8.656 1.00 0.00 N ATOM 238 CA LYS A 16 -0.311 5.341 -8.002 1.00 0.00 C ATOM 239 C LYS A 16 -1.429 5.380 -9.031 1.00 0.00 C ATOM 240 O LYS A 16 -1.379 6.159 -9.983 1.00 0.00 O ATOM 241 CB LYS A 16 -0.534 6.410 -6.925 1.00 0.00 C ATOM 242 CG LYS A 16 -0.609 7.830 -7.464 1.00 0.00 C ATOM 243 CD LYS A 16 -0.737 8.845 -6.341 1.00 0.00 C ATOM 244 CE LYS A 16 -0.975 10.248 -6.876 1.00 0.00 C ATOM 245 NZ LYS A 16 0.086 10.676 -7.824 1.00 0.00 N ATOM 0 H LYS A 16 0.981 6.242 -9.381 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.314 4.366 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.458 6.186 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.276 6.352 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.284 8.045 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.462 7.920 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.560 8.561 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.170 8.835 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.943 10.285 -7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.020 10.950 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.052 11.677 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.018 10.554 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.035 10.097 -8.686 1.00 0.00 H new ATOM 259 N LEU A 17 -2.408 4.510 -8.858 1.00 0.00 N ATOM 260 CA LEU A 17 -3.553 4.451 -9.753 1.00 0.00 C ATOM 261 C LEU A 17 -4.772 3.916 -9.014 1.00 0.00 C ATOM 262 O LEU A 17 -4.641 3.126 -8.076 1.00 0.00 O ATOM 263 CB LEU A 17 -3.257 3.571 -10.980 1.00 0.00 C ATOM 264 CG LEU A 17 -2.964 2.091 -10.692 1.00 0.00 C ATOM 265 CD1 LEU A 17 -3.174 1.257 -11.946 1.00 0.00 C ATOM 266 CD2 LEU A 17 -1.541 1.902 -10.181 1.00 0.00 C ATOM 0 H LEU A 17 -2.434 3.829 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.758 5.463 -10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.110 3.627 -11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.402 3.994 -11.508 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.656 1.758 -9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.963 0.210 -11.727 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.207 1.356 -12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.503 1.606 -12.731 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.362 0.845 -9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.835 2.257 -10.932 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.407 2.469 -9.260 1.00 0.00 H new ATOM 278 N VAL A 18 -5.950 4.354 -9.427 1.00 0.00 N ATOM 279 CA VAL A 18 -7.191 3.859 -8.851 1.00 0.00 C ATOM 280 C VAL A 18 -8.109 3.325 -9.943 1.00 0.00 C ATOM 281 O VAL A 18 -8.171 3.877 -11.040 1.00 0.00 O ATOM 282 CB VAL A 18 -7.932 4.941 -8.031 1.00 0.00 C ATOM 283 CG1 VAL A 18 -7.125 5.330 -6.804 1.00 0.00 C ATOM 284 CG2 VAL A 18 -8.233 6.170 -8.879 1.00 0.00 C ATOM 0 H VAL A 18 -6.074 5.052 -10.160 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.923 3.052 -8.169 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.881 4.517 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.664 6.092 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.974 4.453 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.158 5.724 -7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.754 6.911 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.300 6.595 -9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.861 5.885 -9.723 1.00 0.00 H new ATOM 294 N PHE A 19 -8.798 2.239 -9.646 1.00 0.00 N ATOM 295 CA PHE A 19 -9.729 1.644 -10.590 1.00 0.00 C ATOM 296 C PHE A 19 -11.090 1.472 -9.932 1.00 0.00 C ATOM 297 O PHE A 19 -11.189 0.931 -8.832 1.00 0.00 O ATOM 298 CB PHE A 19 -9.203 0.293 -11.089 1.00 0.00 C ATOM 299 CG PHE A 19 -10.111 -0.380 -12.079 1.00 0.00 C ATOM 300 CD1 PHE A 19 -10.967 -1.394 -11.679 1.00 0.00 C ATOM 301 CD2 PHE A 19 -10.115 0.008 -13.408 1.00 0.00 C ATOM 302 CE1 PHE A 19 -11.807 -2.009 -12.588 1.00 0.00 C ATOM 303 CE2 PHE A 19 -10.951 -0.603 -14.321 1.00 0.00 C ATOM 304 CZ PHE A 19 -11.800 -1.612 -13.909 1.00 0.00 C ATOM 0 H PHE A 19 -8.731 1.748 -8.754 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.830 2.308 -11.449 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.225 0.441 -11.548 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.057 -0.368 -10.235 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.978 -1.707 -10.645 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.456 0.799 -13.735 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.468 -2.799 -12.264 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.941 -0.293 -15.355 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.458 -2.089 -14.620 1.00 0.00 H new ATOM 314 N PHE A 20 -12.130 1.939 -10.599 1.00 0.00 N ATOM 315 CA PHE A 20 -13.476 1.853 -10.063 1.00 0.00 C ATOM 316 C PHE A 20 -14.414 1.166 -11.050 1.00 0.00 C ATOM 317 O PHE A 20 -14.457 1.506 -12.232 1.00 0.00 O ATOM 318 CB PHE A 20 -13.999 3.248 -9.686 1.00 0.00 C ATOM 319 CG PHE A 20 -13.810 4.293 -10.753 1.00 0.00 C ATOM 320 CD1 PHE A 20 -12.635 5.025 -10.821 1.00 0.00 C ATOM 321 CD2 PHE A 20 -14.806 4.547 -11.681 1.00 0.00 C ATOM 322 CE1 PHE A 20 -12.457 5.987 -11.796 1.00 0.00 C ATOM 323 CE2 PHE A 20 -14.634 5.508 -12.658 1.00 0.00 C ATOM 324 CZ PHE A 20 -13.458 6.229 -12.716 1.00 0.00 C ATOM 0 H PHE A 20 -12.068 2.383 -11.515 1.00 0.00 H new ATOM 0 HA PHE A 20 -13.443 1.247 -9.158 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -15.061 3.173 -9.452 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -13.495 3.578 -8.778 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.849 4.841 -10.103 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.728 3.987 -11.640 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -11.536 6.549 -11.839 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -15.419 5.695 -13.376 1.00 0.00 H new ATOM 0 HZ PHE A 20 -13.321 6.981 -13.479 1.00 0.00 H new ATOM 334 N ALA A 21 -15.149 0.185 -10.555 1.00 0.00 N ATOM 335 CA ALA A 21 -16.093 -0.560 -11.371 1.00 0.00 C ATOM 336 C ALA A 21 -17.460 -0.597 -10.702 1.00 0.00 C ATOM 337 O ALA A 21 -17.570 -0.896 -9.514 1.00 0.00 O ATOM 338 CB ALA A 21 -15.577 -1.970 -11.609 1.00 0.00 C ATOM 0 H ALA A 21 -15.109 -0.117 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.197 -0.059 -12.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -16.291 -2.520 -12.221 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.617 -1.924 -12.124 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.452 -2.478 -10.653 1.00 0.00 H new ATOM 441 N GLY A 29 -20.834 -1.551 -6.155 1.00 0.00 N ATOM 442 CA GLY A 29 -19.652 -1.240 -6.923 1.00 0.00 C ATOM 443 C GLY A 29 -18.382 -1.631 -6.201 1.00 0.00 C ATOM 444 O GLY A 29 -18.400 -1.911 -5.004 1.00 0.00 O ATOM 0 HA2 GLY A 29 -19.697 -1.757 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.631 -0.172 -7.138 1.00 0.00 H new ATOM 448 N ALA A 30 -17.281 -1.658 -6.930 1.00 0.00 N ATOM 449 CA ALA A 30 -15.995 -2.017 -6.363 1.00 0.00 C ATOM 450 C ALA A 30 -14.914 -1.062 -6.846 1.00 0.00 C ATOM 451 O ALA A 30 -14.818 -0.771 -8.037 1.00 0.00 O ATOM 452 CB ALA A 30 -15.638 -3.452 -6.726 1.00 0.00 C ATOM 0 H ALA A 30 -17.253 -1.433 -7.925 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.062 -1.940 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.670 -3.707 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.399 -4.127 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.588 -3.551 -7.810 1.00 0.00 H new ATOM 458 N ILE A 31 -14.118 -0.563 -5.920 1.00 0.00 N ATOM 459 CA ILE A 31 -13.026 0.333 -6.259 1.00 0.00 C ATOM 460 C ILE A 31 -11.738 -0.117 -5.575 1.00 0.00 C ATOM 461 O ILE A 31 -11.751 -0.545 -4.421 1.00 0.00 O ATOM 462 CB ILE A 31 -13.354 1.799 -5.878 1.00 0.00 C ATOM 463 CG1 ILE A 31 -12.186 2.728 -6.226 1.00 0.00 C ATOM 464 CG2 ILE A 31 -13.707 1.907 -4.400 1.00 0.00 C ATOM 465 CD1 ILE A 31 -12.475 4.191 -5.969 1.00 0.00 C ATOM 0 H ILE A 31 -14.206 -0.763 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.887 0.293 -7.339 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.221 2.113 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.312 2.432 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.930 2.597 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -13.934 2.945 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.577 1.286 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.863 1.568 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.603 4.787 -6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -13.329 4.504 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -12.702 4.337 -4.913 1.00 0.00 H new ATOM 477 N ILE A 32 -10.636 -0.043 -6.304 1.00 0.00 N ATOM 478 CA ILE A 32 -9.340 -0.436 -5.776 1.00 0.00 C ATOM 479 C ILE A 32 -8.297 0.641 -6.064 1.00 0.00 C ATOM 480 O ILE A 32 -8.220 1.166 -7.176 1.00 0.00 O ATOM 481 CB ILE A 32 -8.877 -1.793 -6.363 1.00 0.00 C ATOM 482 CG1 ILE A 32 -7.458 -2.138 -5.887 1.00 0.00 C ATOM 483 CG2 ILE A 32 -8.947 -1.775 -7.885 1.00 0.00 C ATOM 484 CD1 ILE A 32 -6.961 -3.485 -6.371 1.00 0.00 C ATOM 0 H ILE A 32 -10.614 0.288 -7.269 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.445 -0.552 -4.697 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.553 -2.567 -6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.772 -1.364 -6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.437 -2.124 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.617 -2.738 -8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.974 -1.588 -8.200 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.300 -0.987 -8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.953 -3.658 -5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.624 -4.270 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.948 -3.498 -7.461 1.00 0.00 H new ATOM 496 N GLY A 33 -7.520 0.987 -5.051 1.00 0.00 N ATOM 497 CA GLY A 33 -6.455 1.950 -5.225 1.00 0.00 C ATOM 498 C GLY A 33 -5.105 1.334 -4.939 1.00 0.00 C ATOM 499 O GLY A 33 -4.934 0.655 -3.928 1.00 0.00 O ATOM 0 H GLY A 33 -7.609 0.615 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.473 2.335 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.618 2.799 -4.561 1.00 0.00 H new ATOM 503 N LEU A 34 -4.150 1.559 -5.826 1.00 0.00 N ATOM 504 CA LEU A 34 -2.823 0.982 -5.676 1.00 0.00 C ATOM 505 C LEU A 34 -1.759 2.072 -5.685 1.00 0.00 C ATOM 506 O LEU A 34 -1.737 2.926 -6.574 1.00 0.00 O ATOM 507 CB LEU A 34 -2.556 -0.027 -6.799 1.00 0.00 C ATOM 508 CG LEU A 34 -1.199 -0.733 -6.742 1.00 0.00 C ATOM 509 CD1 LEU A 34 -1.081 -1.574 -5.479 1.00 0.00 C ATOM 510 CD2 LEU A 34 -1.000 -1.597 -7.980 1.00 0.00 C ATOM 0 H LEU A 34 -4.268 2.137 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.778 0.465 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.341 -0.783 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.637 0.490 -7.755 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.417 0.026 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.109 -2.067 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.180 -0.932 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.869 -2.327 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.031 -2.093 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.789 -2.347 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.037 -0.970 -8.871 1.00 0.00 H new ATOM 522 N MET A 35 -0.899 2.048 -4.680 1.00 0.00 N ATOM 523 CA MET A 35 0.203 2.992 -4.577 1.00 0.00 C ATOM 524 C MET A 35 1.499 2.244 -4.297 1.00 0.00 C ATOM 525 O MET A 35 1.604 1.526 -3.300 1.00 0.00 O ATOM 526 CB MET A 35 -0.050 4.006 -3.458 1.00 0.00 C ATOM 527 CG MET A 35 -1.351 4.778 -3.601 1.00 0.00 C ATOM 528 SD MET A 35 -1.584 5.997 -2.291 1.00 0.00 S ATOM 529 CE MET A 35 -1.516 4.957 -0.833 1.00 0.00 C ATOM 0 H MET A 35 -0.944 1.376 -3.914 1.00 0.00 H new ATOM 0 HA MET A 35 0.283 3.528 -5.523 1.00 0.00 H new ATOM 0 HB2 MET A 35 -0.054 3.482 -2.502 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.778 4.714 -3.430 1.00 0.00 H new ATOM 0 HG2 MET A 35 -1.366 5.282 -4.567 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.187 4.078 -3.594 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.984 5.474 0.005 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.046 4.024 -1.026 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.476 4.739 -0.589 1.00 0.00 H new ATOM 539 N VAL A 36 2.473 2.394 -5.179 1.00 0.00 N ATOM 540 CA VAL A 36 3.764 1.752 -4.997 1.00 0.00 C ATOM 541 C VAL A 36 4.882 2.787 -5.002 1.00 0.00 C ATOM 542 O VAL A 36 4.940 3.653 -5.879 1.00 0.00 O ATOM 543 CB VAL A 36 4.042 0.696 -6.092 1.00 0.00 C ATOM 544 CG1 VAL A 36 5.376 0.000 -5.848 1.00 0.00 C ATOM 545 CG2 VAL A 36 2.914 -0.321 -6.158 1.00 0.00 C ATOM 0 H VAL A 36 2.394 2.954 -6.028 1.00 0.00 H new ATOM 0 HA VAL A 36 3.735 1.246 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 36 4.096 1.211 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.550 -0.738 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.179 0.737 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.355 -0.497 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.130 -1.054 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.823 -0.827 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.978 0.188 -6.390 1.00 0.00 H new ATOM 555 N GLY A 37 5.759 2.693 -4.016 1.00 0.00 N ATOM 556 CA GLY A 37 6.896 3.584 -3.935 1.00 0.00 C ATOM 557 C GLY A 37 8.159 2.823 -3.611 1.00 0.00 C ATOM 558 O GLY A 37 8.172 2.008 -2.689 1.00 0.00 O ATOM 0 H GLY A 37 5.702 2.008 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.018 4.111 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.716 4.340 -3.170 1.00 0.00 H new ATOM 562 N GLY A 38 9.214 3.068 -4.367 1.00 0.00 N ATOM 563 CA GLY A 38 10.445 2.336 -4.168 1.00 0.00 C ATOM 564 C GLY A 38 11.675 3.185 -4.391 1.00 0.00 C ATOM 565 O GLY A 38 11.634 4.175 -5.123 1.00 0.00 O ATOM 0 H GLY A 38 9.241 3.761 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.464 1.936 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.469 1.484 -4.847 1.00 0.00 H new ATOM 569 N VAL A 39 12.767 2.801 -3.751 1.00 0.00 N ATOM 570 CA VAL A 39 14.035 3.501 -3.887 1.00 0.00 C ATOM 571 C VAL A 39 15.156 2.492 -4.108 1.00 0.00 C ATOM 572 O VAL A 39 15.297 1.533 -3.345 1.00 0.00 O ATOM 573 CB VAL A 39 14.364 4.350 -2.634 1.00 0.00 C ATOM 574 CG1 VAL A 39 15.649 5.140 -2.838 1.00 0.00 C ATOM 575 CG2 VAL A 39 13.215 5.287 -2.288 1.00 0.00 C ATOM 0 H VAL A 39 12.800 1.997 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 39 13.949 4.172 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 39 14.508 3.665 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.860 5.729 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 39 16.474 4.452 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 15.535 5.806 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.474 5.870 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.030 5.960 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.317 4.703 -2.086 1.00 0.00 H new ATOM 585 N VAL A 40 15.933 2.694 -5.160 1.00 0.00 N ATOM 586 CA VAL A 40 17.061 1.823 -5.448 1.00 0.00 C ATOM 587 C VAL A 40 18.374 2.596 -5.358 1.00 0.00 C ATOM 588 O VAL A 40 18.539 3.639 -5.988 1.00 0.00 O ATOM 589 CB VAL A 40 16.930 1.152 -6.839 1.00 0.00 C ATOM 590 CG1 VAL A 40 16.695 2.186 -7.930 1.00 0.00 C ATOM 591 CG2 VAL A 40 18.162 0.318 -7.156 1.00 0.00 C ATOM 0 H VAL A 40 15.803 3.453 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 40 17.061 1.034 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 40 16.064 0.491 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.607 1.684 -8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.776 2.733 -7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 40 17.533 2.882 -7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.047 -0.143 -8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 40 19.044 0.958 -7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 40 18.279 -0.460 -6.401 1.00 0.00 H new ATOM 601 N ILE A 41 19.289 2.091 -4.546 1.00 0.00 N ATOM 602 CA ILE A 41 20.604 2.698 -4.391 1.00 0.00 C ATOM 603 C ILE A 41 21.661 1.766 -4.972 1.00 0.00 C ATOM 604 O ILE A 41 21.765 0.607 -4.560 1.00 0.00 O ATOM 605 CB ILE A 41 20.955 2.990 -2.908 1.00 0.00 C ATOM 606 CG1 ILE A 41 19.888 3.862 -2.230 1.00 0.00 C ATOM 607 CG2 ILE A 41 22.310 3.675 -2.813 1.00 0.00 C ATOM 608 CD1 ILE A 41 18.680 3.096 -1.731 1.00 0.00 C ATOM 0 H ILE A 41 19.144 1.255 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 41 20.585 3.650 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 41 20.990 2.033 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 41 20.344 4.385 -1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 41 19.555 4.622 -2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 41 22.544 3.874 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 41 23.076 3.027 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 41 22.282 4.615 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 41 17.977 3.788 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 41 18.196 2.595 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.997 2.354 -0.998 1.00 0.00 H new ATOM 1079 N ALA B 30 21.211 -1.375 -2.579 1.00 0.00 N ATOM 1080 CA ALA B 30 20.056 -1.432 -1.696 1.00 0.00 C ATOM 1081 C ALA B 30 18.773 -1.157 -2.471 1.00 0.00 C ATOM 1082 O ALA B 30 18.672 -0.159 -3.182 1.00 0.00 O ATOM 1083 CB ALA B 30 20.212 -0.437 -0.553 1.00 0.00 C ATOM 0 HA ALA B 30 19.994 -2.436 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA B 30 19.340 -0.492 0.099 1.00 0.00 H new ATOM 0 HB2 ALA B 30 21.108 -0.678 0.019 1.00 0.00 H new ATOM 0 HB3 ALA B 30 20.300 0.571 -0.958 1.00 0.00 H new ATOM 1089 N ILE B 31 17.808 -2.055 -2.346 1.00 0.00 N ATOM 1090 CA ILE B 31 16.518 -1.897 -3.005 1.00 0.00 C ATOM 1091 C ILE B 31 15.385 -2.039 -1.996 1.00 0.00 C ATOM 1092 O ILE B 31 15.306 -3.038 -1.282 1.00 0.00 O ATOM 1093 CB ILE B 31 16.317 -2.950 -4.118 1.00 0.00 C ATOM 1094 CG1 ILE B 31 17.423 -2.849 -5.168 1.00 0.00 C ATOM 1095 CG2 ILE B 31 14.950 -2.783 -4.772 1.00 0.00 C ATOM 1096 CD1 ILE B 31 17.368 -3.943 -6.212 1.00 0.00 C ATOM 0 H ILE B 31 17.894 -2.906 -1.791 1.00 0.00 H new ATOM 0 HA ILE B 31 16.505 -0.902 -3.449 1.00 0.00 H new ATOM 0 HB ILE B 31 16.367 -3.939 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE B 31 17.354 -1.881 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE B 31 18.391 -2.883 -4.668 1.00 0.00 H new ATOM 0 HG21 ILE B 31 14.826 -3.533 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE B 31 14.170 -2.909 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE B 31 14.875 -1.788 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE B 31 18.182 -3.808 -6.924 1.00 0.00 H new ATOM 0 HD12 ILE B 31 17.467 -4.914 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE B 31 16.415 -3.896 -6.738 1.00 0.00 H new ATOM 1108 N ILE B 32 14.521 -1.040 -1.931 1.00 0.00 N ATOM 1109 CA ILE B 32 13.362 -1.098 -1.058 1.00 0.00 C ATOM 1110 C ILE B 32 12.125 -0.618 -1.815 1.00 0.00 C ATOM 1111 O ILE B 32 12.154 0.419 -2.477 1.00 0.00 O ATOM 1112 CB ILE B 32 13.593 -0.273 0.243 1.00 0.00 C ATOM 1113 CG1 ILE B 32 12.494 -0.535 1.296 1.00 0.00 C ATOM 1114 CG2 ILE B 32 13.707 1.217 -0.058 1.00 0.00 C ATOM 1115 CD1 ILE B 32 11.182 0.191 1.057 1.00 0.00 C ATOM 0 H ILE B 32 14.601 -0.179 -2.473 1.00 0.00 H new ATOM 0 HA ILE B 32 13.202 -2.132 -0.752 1.00 0.00 H new ATOM 0 HB ILE B 32 14.540 -0.609 0.666 1.00 0.00 H new ATOM 0 HG12 ILE B 32 12.296 -1.606 1.332 1.00 0.00 H new ATOM 0 HG13 ILE B 32 12.876 -0.248 2.276 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.868 1.765 0.871 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.547 1.389 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE B 32 12.788 1.564 -0.529 1.00 0.00 H new ATOM 0 HD11 ILE B 32 10.478 -0.059 1.850 1.00 0.00 H new ATOM 0 HD12 ILE B 32 11.357 1.267 1.053 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.768 -0.113 0.095 1.00 0.00 H new ATOM 1127 N GLY B 33 11.059 -1.399 -1.749 1.00 0.00 N ATOM 1128 CA GLY B 33 9.823 -1.025 -2.403 1.00 0.00 C ATOM 1129 C GLY B 33 8.615 -1.326 -1.544 1.00 0.00 C ATOM 1130 O GLY B 33 8.483 -2.429 -1.014 1.00 0.00 O ATOM 0 H GLY B 33 11.027 -2.289 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY B 33 9.845 0.039 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY B 33 9.737 -1.559 -3.349 1.00 0.00 H new ATOM 1134 N LEU B 34 7.739 -0.346 -1.398 1.00 0.00 N ATOM 1135 CA LEU B 34 6.533 -0.514 -0.606 1.00 0.00 C ATOM 1136 C LEU B 34 5.302 -0.480 -1.503 1.00 0.00 C ATOM 1137 O LEU B 34 5.114 0.456 -2.281 1.00 0.00 O ATOM 1138 CB LEU B 34 6.437 0.580 0.461 1.00 0.00 C ATOM 1139 CG LEU B 34 5.224 0.482 1.393 1.00 0.00 C ATOM 1140 CD1 LEU B 34 5.283 -0.793 2.222 1.00 0.00 C ATOM 1141 CD2 LEU B 34 5.147 1.704 2.296 1.00 0.00 C ATOM 0 H LEU B 34 7.841 0.577 -1.819 1.00 0.00 H new ATOM 0 HA LEU B 34 6.579 -1.483 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.343 0.554 1.067 1.00 0.00 H new ATOM 0 HB3 LEU B 34 6.414 1.549 -0.037 1.00 0.00 H new ATOM 0 HG LEU B 34 4.323 0.448 0.780 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.413 -0.842 2.876 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.288 -1.658 1.559 1.00 0.00 H new ATOM 0 HD13 LEU B 34 6.191 -0.793 2.825 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.280 1.618 2.951 1.00 0.00 H new ATOM 0 HD22 LEU B 34 6.053 1.768 2.899 1.00 0.00 H new ATOM 0 HD23 LEU B 34 5.053 2.602 1.686 1.00 0.00 H new ATOM 1153 N MET B 35 4.479 -1.510 -1.397 1.00 0.00 N ATOM 1154 CA MET B 35 3.263 -1.612 -2.187 1.00 0.00 C ATOM 1155 C MET B 35 2.044 -1.558 -1.274 1.00 0.00 C ATOM 1156 O MET B 35 1.895 -2.389 -0.375 1.00 0.00 O ATOM 1157 CB MET B 35 3.252 -2.923 -2.978 1.00 0.00 C ATOM 1158 CG MET B 35 4.445 -3.096 -3.905 1.00 0.00 C ATOM 1159 SD MET B 35 4.469 -4.711 -4.707 1.00 0.00 S ATOM 1160 CE MET B 35 5.952 -4.572 -5.702 1.00 0.00 C ATOM 0 H MET B 35 4.633 -2.295 -0.765 1.00 0.00 H new ATOM 0 HA MET B 35 3.230 -0.775 -2.885 1.00 0.00 H new ATOM 0 HB2 MET B 35 3.225 -3.758 -2.278 1.00 0.00 H new ATOM 0 HB3 MET B 35 2.337 -2.972 -3.568 1.00 0.00 H new ATOM 0 HG2 MET B 35 4.425 -2.316 -4.666 1.00 0.00 H new ATOM 0 HG3 MET B 35 5.365 -2.963 -3.336 1.00 0.00 H new ATOM 0 HE1 MET B 35 6.104 -5.496 -6.260 1.00 0.00 H new ATOM 0 HE2 MET B 35 5.846 -3.741 -6.399 1.00 0.00 H new ATOM 0 HE3 MET B 35 6.810 -4.395 -5.054 1.00 0.00 H new ATOM 1170 N VAL B 36 1.182 -0.581 -1.501 1.00 0.00 N ATOM 1171 CA VAL B 36 -0.036 -0.439 -0.720 1.00 0.00 C ATOM 1172 C VAL B 36 -1.251 -0.432 -1.640 1.00 0.00 C ATOM 1173 O VAL B 36 -1.309 0.345 -2.592 1.00 0.00 O ATOM 1174 CB VAL B 36 -0.026 0.860 0.122 1.00 0.00 C ATOM 1175 CG1 VAL B 36 -1.292 0.976 0.958 1.00 0.00 C ATOM 1176 CG2 VAL B 36 1.205 0.916 1.015 1.00 0.00 C ATOM 0 H VAL B 36 1.304 0.129 -2.223 1.00 0.00 H new ATOM 0 HA VAL B 36 -0.090 -1.289 -0.040 1.00 0.00 H new ATOM 0 HB VAL B 36 0.008 1.704 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.260 1.897 1.540 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -2.162 0.992 0.301 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.362 0.123 1.632 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.191 1.837 1.597 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.204 0.060 1.690 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.103 0.891 0.398 1.00 0.00 H new ATOM 1186 N GLY B 37 -2.207 -1.303 -1.362 1.00 0.00 N ATOM 1187 CA GLY B 37 -3.404 -1.372 -2.171 1.00 0.00 C ATOM 1188 C GLY B 37 -4.639 -1.608 -1.332 1.00 0.00 C ATOM 1189 O GLY B 37 -4.622 -2.426 -0.415 1.00 0.00 O ATOM 0 H GLY B 37 -2.175 -1.966 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY B 37 -3.518 -0.444 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY B 37 -3.303 -2.175 -2.901 1.00 0.00 H new ATOM 1193 N GLY B 38 -5.705 -0.887 -1.630 1.00 0.00 N ATOM 1194 CA GLY B 38 -6.931 -1.043 -0.880 1.00 0.00 C ATOM 1195 C GLY B 38 -8.110 -1.343 -1.777 1.00 0.00 C ATOM 1196 O GLY B 38 -8.230 -0.773 -2.860 1.00 0.00 O ATOM 0 H GLY B 38 -5.744 -0.195 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -6.813 -1.849 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -7.128 -0.132 -0.315 1.00 0.00 H new ATOM 1200 N VAL B 39 -8.975 -2.242 -1.331 1.00 0.00 N ATOM 1201 CA VAL B 39 -10.166 -2.597 -2.086 1.00 0.00 C ATOM 1202 C VAL B 39 -11.424 -2.260 -1.292 1.00 0.00 C ATOM 1203 O VAL B 39 -11.533 -2.582 -0.107 1.00 0.00 O ATOM 1204 CB VAL B 39 -10.184 -4.098 -2.475 1.00 0.00 C ATOM 1205 CG1 VAL B 39 -9.054 -4.418 -3.437 1.00 0.00 C ATOM 1206 CG2 VAL B 39 -10.095 -4.992 -1.246 1.00 0.00 C ATOM 0 H VAL B 39 -8.873 -2.740 -0.447 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.146 -2.011 -3.005 1.00 0.00 H new ATOM 0 HB VAL B 39 -11.134 -4.296 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -9.086 -5.476 -3.696 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -9.165 -3.819 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -8.099 -4.189 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -10.110 -6.037 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -9.168 -4.785 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -10.943 -4.795 -0.591 1.00 0.00 H new ATOM 1216 N VAL B 40 -12.354 -1.577 -1.940 1.00 0.00 N ATOM 1217 CA VAL B 40 -13.632 -1.247 -1.331 1.00 0.00 C ATOM 1218 C VAL B 40 -14.770 -1.732 -2.220 1.00 0.00 C ATOM 1219 O VAL B 40 -14.935 -1.258 -3.345 1.00 0.00 O ATOM 1220 CB VAL B 40 -13.781 0.275 -1.093 1.00 0.00 C ATOM 1221 CG1 VAL B 40 -15.133 0.596 -0.470 1.00 0.00 C ATOM 1222 CG2 VAL B 40 -12.655 0.801 -0.213 1.00 0.00 C ATOM 0 H VAL B 40 -12.246 -1.238 -2.896 1.00 0.00 H new ATOM 0 HA VAL B 40 -13.673 -1.747 -0.363 1.00 0.00 H new ATOM 0 HB VAL B 40 -13.720 0.772 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -15.215 1.671 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -15.929 0.266 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -15.225 0.081 0.486 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -12.783 1.873 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -12.678 0.292 0.751 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -11.697 0.615 -0.698 1.00 0.00 H new ATOM 1232 N ILE B 41 -15.533 -2.692 -1.724 1.00 0.00 N ATOM 1233 CA ILE B 41 -16.670 -3.220 -2.459 1.00 0.00 C ATOM 1234 C ILE B 41 -17.954 -2.928 -1.693 1.00 0.00 C ATOM 1235 O ILE B 41 -18.204 -3.509 -0.636 1.00 0.00 O ATOM 1236 CB ILE B 41 -16.545 -4.744 -2.695 1.00 0.00 C ATOM 1237 CG1 ILE B 41 -15.200 -5.076 -3.347 1.00 0.00 C ATOM 1238 CG2 ILE B 41 -17.696 -5.245 -3.561 1.00 0.00 C ATOM 1239 CD1 ILE B 41 -14.943 -6.561 -3.494 1.00 0.00 C ATOM 0 H ILE B 41 -15.384 -3.123 -0.812 1.00 0.00 H new ATOM 0 HA ILE B 41 -16.693 -2.731 -3.433 1.00 0.00 H new ATOM 0 HB ILE B 41 -16.594 -5.248 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -15.159 -4.610 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -14.400 -4.635 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -17.593 -6.319 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -18.643 -5.040 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -17.676 -4.735 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -13.972 -6.717 -3.964 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -14.950 -7.031 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -15.722 -7.005 -4.114 1.00 0.00 H new ATOM 1251 N ALA B 42 -18.753 -2.021 -2.231 1.00 0.00 N ATOM 1252 CA ALA B 42 -19.994 -1.599 -1.603 1.00 0.00 C ATOM 1253 C ALA B 42 -20.772 -0.706 -2.556 1.00 0.00 C ATOM 1254 O ALA B 42 -20.810 0.521 -2.328 1.00 0.00 O ATOM 1255 CB ALA B 42 -19.718 -0.867 -0.295 1.00 0.00 C ATOM 1256 OXT ALA B 42 -21.317 -1.233 -3.542 1.00 0.00 O ATOM 0 H ALA B 42 -18.559 -1.556 -3.118 1.00 0.00 H new ATOM 0 HA ALA B 42 -20.589 -2.483 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -20.662 -0.561 0.157 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -19.187 -1.530 0.388 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -19.108 0.014 -0.493 1.00 0.00 H new ATOM 1394 N TYR C 10 -20.731 -8.201 11.177 1.00 0.00 N ATOM 1395 CA TYR C 10 -19.523 -8.028 10.397 1.00 0.00 C ATOM 1396 C TYR C 10 -18.512 -9.101 10.765 1.00 0.00 C ATOM 1397 O TYR C 10 -18.598 -9.701 11.834 1.00 0.00 O ATOM 1398 CB TYR C 10 -18.915 -6.638 10.633 1.00 0.00 C ATOM 1399 CG TYR C 10 -18.254 -6.468 11.986 1.00 0.00 C ATOM 1400 CD1 TYR C 10 -16.872 -6.517 12.112 1.00 0.00 C ATOM 1401 CD2 TYR C 10 -19.008 -6.262 13.134 1.00 0.00 C ATOM 1402 CE1 TYR C 10 -16.260 -6.364 13.340 1.00 0.00 C ATOM 1403 CE2 TYR C 10 -18.404 -6.107 14.366 1.00 0.00 C ATOM 1404 CZ TYR C 10 -17.030 -6.160 14.464 1.00 0.00 C ATOM 1405 OH TYR C 10 -16.425 -6.010 15.689 1.00 0.00 O ATOM 0 HA TYR C 10 -19.780 -8.118 9.341 1.00 0.00 H new ATOM 0 HB2 TYR C 10 -18.178 -6.440 9.854 1.00 0.00 H new ATOM 0 HB3 TYR C 10 -19.700 -5.889 10.528 1.00 0.00 H new ATOM 0 HD1 TYR C 10 -16.265 -6.678 11.233 1.00 0.00 H new ATOM 0 HD2 TYR C 10 -20.085 -6.222 13.062 1.00 0.00 H new ATOM 0 HE1 TYR C 10 -15.184 -6.404 13.419 1.00 0.00 H new ATOM 0 HE2 TYR C 10 -19.005 -5.945 15.249 1.00 0.00 H new ATOM 0 HH TYR C 10 -17.109 -5.873 16.377 1.00 0.00 H new ATOM 1415 N GLU C 11 -17.564 -9.339 9.878 1.00 0.00 N ATOM 1416 CA GLU C 11 -16.499 -10.287 10.141 1.00 0.00 C ATOM 1417 C GLU C 11 -15.160 -9.676 9.751 1.00 0.00 C ATOM 1418 O GLU C 11 -15.016 -9.125 8.658 1.00 0.00 O ATOM 1419 CB GLU C 11 -16.745 -11.589 9.379 1.00 0.00 C ATOM 1420 CG GLU C 11 -15.783 -12.704 9.749 1.00 0.00 C ATOM 1421 CD GLU C 11 -16.155 -14.030 9.119 1.00 0.00 C ATOM 1422 OE1 GLU C 11 -16.991 -14.748 9.698 1.00 0.00 O ATOM 1423 OE2 GLU C 11 -15.607 -14.355 8.044 1.00 0.00 O ATOM 0 H GLU C 11 -17.510 -8.886 8.965 1.00 0.00 H new ATOM 0 HA GLU C 11 -16.481 -10.518 11.206 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -17.765 -11.923 9.569 1.00 0.00 H new ATOM 0 HB3 GLU C 11 -16.667 -11.394 8.309 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -14.776 -12.428 9.437 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -15.761 -12.815 10.833 1.00 0.00 H new ATOM 1430 N VAL C 12 -14.197 -9.747 10.654 1.00 0.00 N ATOM 1431 CA VAL C 12 -12.881 -9.184 10.409 1.00 0.00 C ATOM 1432 C VAL C 12 -11.909 -10.273 9.961 1.00 0.00 C ATOM 1433 O VAL C 12 -11.932 -11.392 10.473 1.00 0.00 O ATOM 1434 CB VAL C 12 -12.330 -8.460 11.662 1.00 0.00 C ATOM 1435 CG1 VAL C 12 -12.193 -9.416 12.837 1.00 0.00 C ATOM 1436 CG2 VAL C 12 -10.999 -7.788 11.357 1.00 0.00 C ATOM 0 H VAL C 12 -14.303 -10.191 11.566 1.00 0.00 H new ATOM 0 HA VAL C 12 -12.981 -8.447 9.612 1.00 0.00 H new ATOM 0 HB VAL C 12 -13.048 -7.689 11.941 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.804 -8.877 13.701 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -13.169 -9.836 13.080 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -11.508 -10.221 12.573 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -10.631 -7.286 12.252 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.276 -8.540 11.040 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -11.135 -7.056 10.560 1.00 0.00 H new ATOM 1446 N HIS C 13 -11.079 -9.949 8.984 1.00 0.00 N ATOM 1447 CA HIS C 13 -10.086 -10.882 8.479 1.00 0.00 C ATOM 1448 C HIS C 13 -8.714 -10.228 8.495 1.00 0.00 C ATOM 1449 O HIS C 13 -8.572 -9.067 8.113 1.00 0.00 O ATOM 1450 CB HIS C 13 -10.429 -11.319 7.051 1.00 0.00 C ATOM 1451 CG HIS C 13 -11.801 -11.898 6.904 1.00 0.00 C ATOM 1452 ND1 HIS C 13 -12.796 -11.289 6.176 1.00 0.00 N ATOM 1453 CD2 HIS C 13 -12.343 -13.035 7.395 1.00 0.00 C ATOM 1454 CE1 HIS C 13 -13.889 -12.022 6.226 1.00 0.00 C ATOM 1455 NE2 HIS C 13 -13.643 -13.089 6.959 1.00 0.00 N ATOM 0 H HIS C 13 -11.074 -9.040 8.522 1.00 0.00 H new ATOM 0 HA HIS C 13 -10.081 -11.763 9.121 1.00 0.00 H new ATOM 0 HB2 HIS C 13 -10.335 -10.460 6.387 1.00 0.00 H new ATOM 0 HB3 HIS C 13 -9.697 -12.057 6.722 1.00 0.00 H new ATOM 0 HD2 HIS C 13 -11.845 -13.765 8.015 1.00 0.00 H new ATOM 0 HE1 HIS C 13 -14.828 -11.788 5.747 1.00 0.00 H new ATOM 0 HE2 HIS C 13 -14.309 -13.833 7.168 1.00 0.00 H new ATOM 1464 N HIS C 14 -7.708 -10.959 8.940 1.00 0.00 N ATOM 1465 CA HIS C 14 -6.352 -10.435 8.973 1.00 0.00 C ATOM 1466 C HIS C 14 -5.349 -11.559 8.763 1.00 0.00 C ATOM 1467 O HIS C 14 -5.478 -12.634 9.343 1.00 0.00 O ATOM 1468 CB HIS C 14 -6.082 -9.725 10.305 1.00 0.00 C ATOM 1469 CG HIS C 14 -4.757 -9.022 10.359 1.00 0.00 C ATOM 1470 ND1 HIS C 14 -3.753 -9.369 11.236 1.00 0.00 N ATOM 1471 CD2 HIS C 14 -4.280 -7.977 9.644 1.00 0.00 C ATOM 1472 CE1 HIS C 14 -2.720 -8.568 11.058 1.00 0.00 C ATOM 1473 NE2 HIS C 14 -3.012 -7.714 10.099 1.00 0.00 N ATOM 0 H HIS C 14 -7.802 -11.915 9.283 1.00 0.00 H new ATOM 0 HA HIS C 14 -6.241 -9.710 8.167 1.00 0.00 H new ATOM 0 HB2 HIS C 14 -6.875 -9.000 10.487 1.00 0.00 H new ATOM 0 HB3 HIS C 14 -6.128 -10.457 11.112 1.00 0.00 H new ATOM 0 HD2 HIS C 14 -4.801 -7.448 8.860 1.00 0.00 H new ATOM 0 HE1 HIS C 14 -1.791 -8.606 11.607 1.00 0.00 H new ATOM 0 HE2 HIS C 14 -2.397 -6.978 9.751 1.00 0.00 H new ATOM 1482 N GLN C 15 -4.356 -11.301 7.929 1.00 0.00 N ATOM 1483 CA GLN C 15 -3.313 -12.272 7.649 1.00 0.00 C ATOM 1484 C GLN C 15 -2.006 -11.546 7.370 1.00 0.00 C ATOM 1485 O GLN C 15 -1.981 -10.567 6.622 1.00 0.00 O ATOM 1486 CB GLN C 15 -3.715 -13.126 6.440 1.00 0.00 C ATOM 1487 CG GLN C 15 -2.723 -14.223 6.067 1.00 0.00 C ATOM 1488 CD GLN C 15 -2.549 -15.263 7.157 1.00 0.00 C ATOM 1489 OE1 GLN C 15 -3.316 -16.220 7.241 1.00 0.00 O ATOM 1490 NE2 GLN C 15 -1.512 -15.114 7.966 1.00 0.00 N ATOM 0 H GLN C 15 -4.250 -10.418 7.430 1.00 0.00 H new ATOM 0 HA GLN C 15 -3.179 -12.925 8.512 1.00 0.00 H new ATOM 0 HB2 GLN C 15 -4.682 -13.586 6.644 1.00 0.00 H new ATOM 0 HB3 GLN C 15 -3.849 -12.470 5.580 1.00 0.00 H new ATOM 0 HG2 GLN C 15 -3.060 -14.715 5.154 1.00 0.00 H new ATOM 0 HG3 GLN C 15 -1.756 -13.771 5.847 1.00 0.00 H new ATOM 0 HE21 GLN C 15 -0.898 -14.306 7.865 1.00 0.00 H new ATOM 0 HE22 GLN C 15 -1.327 -15.807 8.691 1.00 0.00 H new ATOM 1499 N LYS C 16 -0.933 -12.003 7.990 1.00 0.00 N ATOM 1500 CA LYS C 16 0.383 -11.443 7.739 1.00 0.00 C ATOM 1501 C LYS C 16 1.411 -12.558 7.631 1.00 0.00 C ATOM 1502 O LYS C 16 1.335 -13.553 8.351 1.00 0.00 O ATOM 1503 CB LYS C 16 0.773 -10.454 8.846 1.00 0.00 C ATOM 1504 CG LYS C 16 0.907 -11.084 10.225 1.00 0.00 C ATOM 1505 CD LYS C 16 1.198 -10.038 11.288 1.00 0.00 C ATOM 1506 CE LYS C 16 1.497 -10.678 12.635 1.00 0.00 C ATOM 1507 NZ LYS C 16 0.404 -11.579 13.087 1.00 0.00 N ATOM 0 H LYS C 16 -0.947 -12.761 8.672 1.00 0.00 H new ATOM 0 HA LYS C 16 0.356 -10.899 6.795 1.00 0.00 H new ATOM 0 HB2 LYS C 16 1.719 -9.983 8.580 1.00 0.00 H new ATOM 0 HB3 LYS C 16 0.025 -9.663 8.891 1.00 0.00 H new ATOM 0 HG2 LYS C 16 -0.012 -11.613 10.476 1.00 0.00 H new ATOM 0 HG3 LYS C 16 1.707 -11.824 10.212 1.00 0.00 H new ATOM 0 HD2 LYS C 16 2.047 -9.429 10.977 1.00 0.00 H new ATOM 0 HD3 LYS C 16 0.343 -9.368 11.384 1.00 0.00 H new ATOM 0 HE2 LYS C 16 2.426 -11.243 12.568 1.00 0.00 H new ATOM 0 HE3 LYS C 16 1.652 -9.897 13.379 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 0.596 -11.898 14.058 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 -0.501 -11.066 13.064 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 0.351 -12.404 12.456 1.00 0.00 H new ATOM 1521 N LEU C 17 2.339 -12.407 6.703 1.00 0.00 N ATOM 1522 CA LEU C 17 3.399 -13.383 6.509 1.00 0.00 C ATOM 1523 C LEU C 17 4.632 -12.711 5.924 1.00 0.00 C ATOM 1524 O LEU C 17 4.521 -11.717 5.203 1.00 0.00 O ATOM 1525 CB LEU C 17 2.942 -14.527 5.587 1.00 0.00 C ATOM 1526 CG LEU C 17 2.567 -14.126 4.152 1.00 0.00 C ATOM 1527 CD1 LEU C 17 2.614 -15.337 3.237 1.00 0.00 C ATOM 1528 CD2 LEU C 17 1.181 -13.497 4.103 1.00 0.00 C ATOM 0 H LEU C 17 2.380 -11.611 6.066 1.00 0.00 H new ATOM 0 HA LEU C 17 3.646 -13.806 7.483 1.00 0.00 H new ATOM 0 HB2 LEU C 17 3.739 -15.269 5.539 1.00 0.00 H new ATOM 0 HB3 LEU C 17 2.080 -15.013 6.044 1.00 0.00 H new ATOM 0 HG LEU C 17 3.293 -13.388 3.810 1.00 0.00 H new ATOM 0 HD11 LEU C 17 2.346 -15.038 2.224 1.00 0.00 H new ATOM 0 HD12 LEU C 17 3.621 -15.755 3.238 1.00 0.00 H new ATOM 0 HD13 LEU C 17 1.909 -16.089 3.592 1.00 0.00 H new ATOM 0 HD21 LEU C 17 0.942 -13.223 3.075 1.00 0.00 H new ATOM 0 HD22 LEU C 17 0.444 -14.212 4.469 1.00 0.00 H new ATOM 0 HD23 LEU C 17 1.164 -12.605 4.730 1.00 0.00 H new ATOM 1540 N VAL C 18 5.801 -13.240 6.243 1.00 0.00 N ATOM 1541 CA VAL C 18 7.046 -12.733 5.687 1.00 0.00 C ATOM 1542 C VAL C 18 7.835 -13.859 5.029 1.00 0.00 C ATOM 1543 O VAL C 18 7.865 -14.986 5.522 1.00 0.00 O ATOM 1544 CB VAL C 18 7.926 -12.039 6.754 1.00 0.00 C ATOM 1545 CG1 VAL C 18 7.250 -10.779 7.274 1.00 0.00 C ATOM 1546 CG2 VAL C 18 8.244 -12.984 7.904 1.00 0.00 C ATOM 0 H VAL C 18 5.915 -14.023 6.886 1.00 0.00 H new ATOM 0 HA VAL C 18 6.777 -11.987 4.939 1.00 0.00 H new ATOM 0 HB VAL C 18 8.865 -11.757 6.278 1.00 0.00 H new ATOM 0 HG11 VAL C 18 7.886 -10.307 8.023 1.00 0.00 H new ATOM 0 HG12 VAL C 18 7.087 -10.086 6.448 1.00 0.00 H new ATOM 0 HG13 VAL C 18 6.292 -11.039 7.724 1.00 0.00 H new ATOM 0 HG21 VAL C 18 8.864 -12.468 8.638 1.00 0.00 H new ATOM 0 HG22 VAL C 18 7.316 -13.308 8.376 1.00 0.00 H new ATOM 0 HG23 VAL C 18 8.780 -13.853 7.523 1.00 0.00 H new ATOM 1556 N PHE C 19 8.460 -13.552 3.906 1.00 0.00 N ATOM 1557 CA PHE C 19 9.267 -14.523 3.190 1.00 0.00 C ATOM 1558 C PHE C 19 10.658 -13.959 2.948 1.00 0.00 C ATOM 1559 O PHE C 19 10.803 -12.841 2.458 1.00 0.00 O ATOM 1560 CB PHE C 19 8.605 -14.895 1.858 1.00 0.00 C ATOM 1561 CG PHE C 19 9.379 -15.910 1.064 1.00 0.00 C ATOM 1562 CD1 PHE C 19 10.189 -15.515 0.010 1.00 0.00 C ATOM 1563 CD2 PHE C 19 9.303 -17.257 1.378 1.00 0.00 C ATOM 1564 CE1 PHE C 19 10.905 -16.445 -0.715 1.00 0.00 C ATOM 1565 CE2 PHE C 19 10.017 -18.191 0.652 1.00 0.00 C ATOM 1566 CZ PHE C 19 10.820 -17.785 -0.395 1.00 0.00 C ATOM 0 H PHE C 19 8.423 -12.631 3.468 1.00 0.00 H new ATOM 0 HA PHE C 19 9.349 -15.426 3.795 1.00 0.00 H new ATOM 0 HB2 PHE C 19 7.606 -15.285 2.055 1.00 0.00 H new ATOM 0 HB3 PHE C 19 8.483 -13.993 1.258 1.00 0.00 H new ATOM 0 HD1 PHE C 19 10.260 -14.468 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE C 19 8.679 -17.580 2.198 1.00 0.00 H new ATOM 0 HE1 PHE C 19 11.532 -16.124 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE C 19 9.947 -19.239 0.904 1.00 0.00 H new ATOM 0 HZ PHE C 19 11.380 -18.514 -0.962 1.00 0.00 H new ATOM 1576 N PHE C 20 11.675 -14.728 3.299 1.00 0.00 N ATOM 1577 CA PHE C 20 13.052 -14.292 3.138 1.00 0.00 C ATOM 1578 C PHE C 20 13.851 -15.304 2.324 1.00 0.00 C ATOM 1579 O PHE C 20 13.813 -16.504 2.591 1.00 0.00 O ATOM 1580 CB PHE C 20 13.707 -14.047 4.506 1.00 0.00 C ATOM 1581 CG PHE C 20 13.507 -15.161 5.501 1.00 0.00 C ATOM 1582 CD1 PHE C 20 12.385 -15.184 6.315 1.00 0.00 C ATOM 1583 CD2 PHE C 20 14.439 -16.180 5.623 1.00 0.00 C ATOM 1584 CE1 PHE C 20 12.196 -16.201 7.230 1.00 0.00 C ATOM 1585 CE2 PHE C 20 14.253 -17.200 6.538 1.00 0.00 C ATOM 1586 CZ PHE C 20 13.132 -17.210 7.341 1.00 0.00 C ATOM 0 H PHE C 20 11.572 -15.661 3.699 1.00 0.00 H new ATOM 0 HA PHE C 20 13.049 -13.350 2.590 1.00 0.00 H new ATOM 0 HB2 PHE C 20 14.776 -13.894 4.361 1.00 0.00 H new ATOM 0 HB3 PHE C 20 13.307 -13.124 4.927 1.00 0.00 H new ATOM 0 HD1 PHE C 20 11.650 -14.397 6.233 1.00 0.00 H new ATOM 0 HD2 PHE C 20 15.319 -16.177 4.997 1.00 0.00 H new ATOM 0 HE1 PHE C 20 11.317 -16.207 7.858 1.00 0.00 H new ATOM 0 HE2 PHE C 20 14.986 -17.989 6.624 1.00 0.00 H new ATOM 0 HZ PHE C 20 12.986 -18.006 8.056 1.00 0.00 H new ATOM 1703 N GLY C 29 20.434 -10.766 -0.605 1.00 0.00 N ATOM 1704 CA GLY C 29 19.219 -11.459 -0.246 1.00 0.00 C ATOM 1705 C GLY C 29 17.987 -10.619 -0.493 1.00 0.00 C ATOM 1706 O GLY C 29 18.082 -9.412 -0.698 1.00 0.00 O ATOM 0 HA2 GLY C 29 19.147 -12.383 -0.819 1.00 0.00 H new ATOM 0 HA3 GLY C 29 19.260 -11.739 0.807 1.00 0.00 H new ATOM 1710 N ALA C 30 16.831 -11.257 -0.474 1.00 0.00 N ATOM 1711 CA ALA C 30 15.574 -10.571 -0.704 1.00 0.00 C ATOM 1712 C ALA C 30 14.528 -11.025 0.302 1.00 0.00 C ATOM 1713 O ALA C 30 14.353 -12.221 0.528 1.00 0.00 O ATOM 1714 CB ALA C 30 15.088 -10.817 -2.126 1.00 0.00 C ATOM 0 H ALA C 30 16.737 -12.258 -0.300 1.00 0.00 H new ATOM 0 HA ALA C 30 15.735 -9.501 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA C 30 14.144 -10.296 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA C 30 15.830 -10.446 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA C 30 14.942 -11.886 -2.281 1.00 0.00 H new ATOM 1720 N ILE C 31 13.851 -10.073 0.914 1.00 0.00 N ATOM 1721 CA ILE C 31 12.803 -10.380 1.873 1.00 0.00 C ATOM 1722 C ILE C 31 11.546 -9.574 1.560 1.00 0.00 C ATOM 1723 O ILE C 31 11.622 -8.403 1.187 1.00 0.00 O ATOM 1724 CB ILE C 31 13.268 -10.116 3.328 1.00 0.00 C ATOM 1725 CG1 ILE C 31 12.146 -10.430 4.325 1.00 0.00 C ATOM 1726 CG2 ILE C 31 13.744 -8.680 3.492 1.00 0.00 C ATOM 1727 CD1 ILE C 31 12.561 -10.288 5.774 1.00 0.00 C ATOM 0 H ILE C 31 14.007 -9.076 0.765 1.00 0.00 H new ATOM 0 HA ILE C 31 12.573 -11.442 1.787 1.00 0.00 H new ATOM 0 HB ILE C 31 14.107 -10.779 3.539 1.00 0.00 H new ATOM 0 HG12 ILE C 31 11.304 -9.766 4.131 1.00 0.00 H new ATOM 0 HG13 ILE C 31 11.795 -11.448 4.155 1.00 0.00 H new ATOM 0 HG21 ILE C 31 14.065 -8.518 4.521 1.00 0.00 H new ATOM 0 HG22 ILE C 31 14.580 -8.494 2.818 1.00 0.00 H new ATOM 0 HG23 ILE C 31 12.928 -7.997 3.255 1.00 0.00 H new ATOM 0 HD11 ILE C 31 11.716 -10.526 6.420 1.00 0.00 H new ATOM 0 HD12 ILE C 31 13.383 -10.972 5.986 1.00 0.00 H new ATOM 0 HD13 ILE C 31 12.883 -9.264 5.961 1.00 0.00 H new ATOM 1739 N ILE C 32 10.395 -10.218 1.681 1.00 0.00 N ATOM 1740 CA ILE C 32 9.122 -9.569 1.418 1.00 0.00 C ATOM 1741 C ILE C 32 8.140 -9.841 2.554 1.00 0.00 C ATOM 1742 O ILE C 32 8.009 -10.975 3.019 1.00 0.00 O ATOM 1743 CB ILE C 32 8.514 -10.038 0.070 1.00 0.00 C ATOM 1744 CG1 ILE C 32 7.119 -9.434 -0.138 1.00 0.00 C ATOM 1745 CG2 ILE C 32 8.457 -11.558 0.000 1.00 0.00 C ATOM 1746 CD1 ILE C 32 6.490 -9.791 -1.469 1.00 0.00 C ATOM 0 H ILE C 32 10.318 -11.196 1.962 1.00 0.00 H new ATOM 0 HA ILE C 32 9.306 -8.497 1.353 1.00 0.00 H new ATOM 0 HB ILE C 32 9.162 -9.685 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE C 32 6.464 -9.772 0.665 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.188 -8.349 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.027 -11.862 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE C 32 9.464 -11.964 0.090 1.00 0.00 H new ATOM 0 HG23 ILE C 32 7.839 -11.937 0.814 1.00 0.00 H new ATOM 0 HD11 ILE C 32 5.506 -9.328 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.123 -9.429 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE C 32 6.388 -10.874 -1.544 1.00 0.00 H new ATOM 1758 N GLY C 33 7.475 -8.794 3.015 1.00 0.00 N ATOM 1759 CA GLY C 33 6.473 -8.944 4.045 1.00 0.00 C ATOM 1760 C GLY C 33 5.109 -8.518 3.553 1.00 0.00 C ATOM 1761 O GLY C 33 4.971 -7.457 2.945 1.00 0.00 O ATOM 0 H GLY C 33 7.614 -7.837 2.691 1.00 0.00 H new ATOM 0 HA2 GLY C 33 6.436 -9.984 4.370 1.00 0.00 H new ATOM 0 HA3 GLY C 33 6.750 -8.348 4.914 1.00 0.00 H new ATOM 1765 N LEU C 34 4.104 -9.342 3.801 1.00 0.00 N ATOM 1766 CA LEU C 34 2.756 -9.058 3.338 1.00 0.00 C ATOM 1767 C LEU C 34 1.775 -9.050 4.505 1.00 0.00 C ATOM 1768 O LEU C 34 1.740 -9.983 5.306 1.00 0.00 O ATOM 1769 CB LEU C 34 2.325 -10.094 2.293 1.00 0.00 C ATOM 1770 CG LEU C 34 0.928 -9.889 1.698 1.00 0.00 C ATOM 1771 CD1 LEU C 34 0.855 -8.571 0.943 1.00 0.00 C ATOM 1772 CD2 LEU C 34 0.562 -11.051 0.784 1.00 0.00 C ATOM 0 H LEU C 34 4.197 -10.214 4.321 1.00 0.00 H new ATOM 0 HA LEU C 34 2.753 -8.070 2.878 1.00 0.00 H new ATOM 0 HB2 LEU C 34 3.051 -10.088 1.480 1.00 0.00 H new ATOM 0 HB3 LEU C 34 2.365 -11.083 2.749 1.00 0.00 H new ATOM 0 HG LEU C 34 0.208 -9.854 2.516 1.00 0.00 H new ATOM 0 HD11 LEU C 34 -0.145 -8.444 0.528 1.00 0.00 H new ATOM 0 HD12 LEU C 34 1.072 -7.749 1.625 1.00 0.00 H new ATOM 0 HD13 LEU C 34 1.586 -8.574 0.134 1.00 0.00 H new ATOM 0 HD21 LEU C 34 -0.433 -10.889 0.370 1.00 0.00 H new ATOM 0 HD22 LEU C 34 1.286 -11.117 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU C 34 0.571 -11.980 1.355 1.00 0.00 H new ATOM 1784 N MET C 35 1.000 -7.980 4.602 1.00 0.00 N ATOM 1785 CA MET C 35 -0.018 -7.852 5.634 1.00 0.00 C ATOM 1786 C MET C 35 -1.337 -7.426 5.005 1.00 0.00 C ATOM 1787 O MET C 35 -1.412 -6.383 4.356 1.00 0.00 O ATOM 1788 CB MET C 35 0.399 -6.822 6.687 1.00 0.00 C ATOM 1789 CG MET C 35 1.736 -7.114 7.345 1.00 0.00 C ATOM 1790 SD MET C 35 2.169 -5.905 8.613 1.00 0.00 S ATOM 1791 CE MET C 35 2.140 -4.386 7.663 1.00 0.00 C ATOM 0 H MET C 35 1.058 -7.180 3.972 1.00 0.00 H new ATOM 0 HA MET C 35 -0.136 -8.820 6.121 1.00 0.00 H new ATOM 0 HB2 MET C 35 0.443 -5.838 6.220 1.00 0.00 H new ATOM 0 HB3 MET C 35 -0.370 -6.774 7.458 1.00 0.00 H new ATOM 0 HG2 MET C 35 1.707 -8.108 7.792 1.00 0.00 H new ATOM 0 HG3 MET C 35 2.515 -7.130 6.583 1.00 0.00 H new ATOM 0 HE1 MET C 35 2.877 -3.691 8.065 1.00 0.00 H new ATOM 0 HE2 MET C 35 2.377 -4.604 6.621 1.00 0.00 H new ATOM 0 HE3 MET C 35 1.148 -3.938 7.724 1.00 0.00 H new ATOM 1801 N VAL C 36 -2.365 -8.239 5.180 1.00 0.00 N ATOM 1802 CA VAL C 36 -3.680 -7.919 4.650 1.00 0.00 C ATOM 1803 C VAL C 36 -4.716 -7.898 5.768 1.00 0.00 C ATOM 1804 O VAL C 36 -4.773 -8.813 6.593 1.00 0.00 O ATOM 1805 CB VAL C 36 -4.123 -8.923 3.563 1.00 0.00 C ATOM 1806 CG1 VAL C 36 -5.480 -8.533 2.990 1.00 0.00 C ATOM 1807 CG2 VAL C 36 -3.080 -9.016 2.457 1.00 0.00 C ATOM 0 H VAL C 36 -2.315 -9.124 5.684 1.00 0.00 H new ATOM 0 HA VAL C 36 -3.609 -6.931 4.195 1.00 0.00 H new ATOM 0 HB VAL C 36 -4.217 -9.905 4.026 1.00 0.00 H new ATOM 0 HG11 VAL C 36 -5.773 -9.253 2.226 1.00 0.00 H new ATOM 0 HG12 VAL C 36 -6.223 -8.527 3.787 1.00 0.00 H new ATOM 0 HG13 VAL C 36 -5.416 -7.540 2.546 1.00 0.00 H new ATOM 0 HG21 VAL C 36 -3.413 -9.729 1.702 1.00 0.00 H new ATOM 0 HG22 VAL C 36 -2.948 -8.036 1.998 1.00 0.00 H new ATOM 0 HG23 VAL C 36 -2.132 -9.350 2.878 1.00 0.00 H new ATOM 1817 N GLY C 37 -5.519 -6.847 5.794 1.00 0.00 N ATOM 1818 CA GLY C 37 -6.577 -6.734 6.774 1.00 0.00 C ATOM 1819 C GLY C 37 -7.862 -6.264 6.135 1.00 0.00 C ATOM 1820 O GLY C 37 -7.860 -5.288 5.386 1.00 0.00 O ATOM 0 H GLY C 37 -5.455 -6.062 5.146 1.00 0.00 H new ATOM 0 HA2 GLY C 37 -6.738 -7.700 7.253 1.00 0.00 H new ATOM 0 HA3 GLY C 37 -6.279 -6.036 7.556 1.00 0.00 H new ATOM 1824 N GLY C 38 -8.953 -6.953 6.416 1.00 0.00 N ATOM 1825 CA GLY C 38 -10.213 -6.617 5.794 1.00 0.00 C ATOM 1826 C GLY C 38 -11.393 -6.797 6.722 1.00 0.00 C ATOM 1827 O GLY C 38 -11.341 -7.590 7.662 1.00 0.00 O ATOM 0 H GLY C 38 -8.989 -7.740 7.064 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -10.180 -5.582 5.453 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -10.354 -7.239 4.910 1.00 0.00 H new ATOM 1831 N VAL C 39 -12.454 -6.052 6.458 1.00 0.00 N ATOM 1832 CA VAL C 39 -13.673 -6.132 7.245 1.00 0.00 C ATOM 1833 C VAL C 39 -14.879 -6.204 6.318 1.00 0.00 C ATOM 1834 O VAL C 39 -15.033 -5.369 5.424 1.00 0.00 O ATOM 1835 CB VAL C 39 -13.838 -4.913 8.184 1.00 0.00 C ATOM 1836 CG1 VAL C 39 -15.073 -5.071 9.057 1.00 0.00 C ATOM 1837 CG2 VAL C 39 -12.601 -4.713 9.046 1.00 0.00 C ATOM 0 H VAL C 39 -12.494 -5.377 5.694 1.00 0.00 H new ATOM 0 HA VAL C 39 -13.606 -7.030 7.859 1.00 0.00 H new ATOM 0 HB VAL C 39 -13.964 -4.027 7.562 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -15.171 -4.203 9.710 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -15.957 -5.151 8.425 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -14.977 -5.972 9.663 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -12.746 -3.850 9.695 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -12.435 -5.601 9.655 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -11.735 -4.544 8.406 1.00 0.00 H new ATOM 1847 N VAL C 40 -15.720 -7.205 6.519 1.00 0.00 N ATOM 1848 CA VAL C 40 -16.930 -7.350 5.726 1.00 0.00 C ATOM 1849 C VAL C 40 -18.171 -7.205 6.602 1.00 0.00 C ATOM 1850 O VAL C 40 -18.310 -7.881 7.620 1.00 0.00 O ATOM 1851 CB VAL C 40 -16.963 -8.703 4.970 1.00 0.00 C ATOM 1852 CG1 VAL C 40 -16.744 -9.870 5.920 1.00 0.00 C ATOM 1853 CG2 VAL C 40 -18.276 -8.872 4.215 1.00 0.00 C ATOM 0 H VAL C 40 -15.587 -7.929 7.225 1.00 0.00 H new ATOM 0 HA VAL C 40 -16.927 -6.553 4.983 1.00 0.00 H new ATOM 0 HB VAL C 40 -16.147 -8.696 4.247 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -16.773 -10.805 5.360 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -15.773 -9.767 6.405 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -17.529 -9.876 6.676 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -18.275 -9.829 3.693 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -19.107 -8.844 4.920 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -18.386 -8.064 3.492 1.00 0.00 H new ATOM 1863 N ILE C 41 -19.051 -6.295 6.212 1.00 0.00 N ATOM 1864 CA ILE C 41 -20.302 -6.076 6.924 1.00 0.00 C ATOM 1865 C ILE C 41 -21.467 -6.515 6.044 1.00 0.00 C ATOM 1866 O ILE C 41 -21.619 -6.027 4.920 1.00 0.00 O ATOM 1867 CB ILE C 41 -20.509 -4.590 7.326 1.00 0.00 C ATOM 1868 CG1 ILE C 41 -19.329 -4.053 8.150 1.00 0.00 C ATOM 1869 CG2 ILE C 41 -21.802 -4.432 8.113 1.00 0.00 C ATOM 1870 CD1 ILE C 41 -18.143 -3.600 7.321 1.00 0.00 C ATOM 0 H ILE C 41 -18.920 -5.692 5.400 1.00 0.00 H new ATOM 0 HA ILE C 41 -20.259 -6.664 7.841 1.00 0.00 H new ATOM 0 HB ILE C 41 -20.569 -4.008 6.407 1.00 0.00 H new ATOM 0 HG12 ILE C 41 -19.675 -3.215 8.755 1.00 0.00 H new ATOM 0 HG13 ILE C 41 -18.999 -4.830 8.840 1.00 0.00 H new ATOM 0 HG21 ILE C 41 -21.935 -3.386 8.388 1.00 0.00 H new ATOM 0 HG22 ILE C 41 -22.643 -4.755 7.500 1.00 0.00 H new ATOM 0 HG23 ILE C 41 -21.756 -5.042 9.015 1.00 0.00 H new ATOM 0 HD11 ILE C 41 -17.356 -3.236 7.981 1.00 0.00 H new ATOM 0 HD12 ILE C 41 -17.767 -4.439 6.736 1.00 0.00 H new ATOM 0 HD13 ILE C 41 -18.453 -2.799 6.650 1.00 0.00 H new ATOM 2341 N ALA D 30 -21.056 -3.974 3.020 1.00 0.00 N ATOM 2342 CA ALA D 30 -19.837 -3.183 2.923 1.00 0.00 C ATOM 2343 C ALA D 30 -18.606 -4.070 3.057 1.00 0.00 C ATOM 2344 O ALA D 30 -18.494 -4.846 4.003 1.00 0.00 O ATOM 2345 CB ALA D 30 -19.825 -2.097 3.988 1.00 0.00 C ATOM 0 HA ALA D 30 -19.813 -2.710 1.941 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -18.908 -1.514 3.903 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -20.685 -1.442 3.850 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -19.873 -2.555 4.976 1.00 0.00 H new ATOM 2351 N ILE D 31 -17.699 -3.966 2.099 1.00 0.00 N ATOM 2352 CA ILE D 31 -16.462 -4.733 2.123 1.00 0.00 C ATOM 2353 C ILE D 31 -15.264 -3.808 1.952 1.00 0.00 C ATOM 2354 O ILE D 31 -15.199 -3.041 0.992 1.00 0.00 O ATOM 2355 CB ILE D 31 -16.427 -5.791 0.997 1.00 0.00 C ATOM 2356 CG1 ILE D 31 -17.607 -6.758 1.122 1.00 0.00 C ATOM 2357 CG2 ILE D 31 -15.110 -6.556 1.020 1.00 0.00 C ATOM 2358 CD1 ILE D 31 -17.713 -7.739 -0.027 1.00 0.00 C ATOM 0 H ILE D 31 -17.797 -3.354 1.289 1.00 0.00 H new ATOM 0 HA ILE D 31 -16.416 -5.239 3.087 1.00 0.00 H new ATOM 0 HB ILE D 31 -16.509 -5.271 0.042 1.00 0.00 H new ATOM 0 HG12 ILE D 31 -17.513 -7.313 2.055 1.00 0.00 H new ATOM 0 HG13 ILE D 31 -18.531 -6.184 1.185 1.00 0.00 H new ATOM 0 HG21 ILE D 31 -15.105 -7.296 0.220 1.00 0.00 H new ATOM 0 HG22 ILE D 31 -14.283 -5.861 0.876 1.00 0.00 H new ATOM 0 HG23 ILE D 31 -14.998 -7.059 1.980 1.00 0.00 H new ATOM 0 HD11 ILE D 31 -18.572 -8.392 0.130 1.00 0.00 H new ATOM 0 HD12 ILE D 31 -17.839 -7.192 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE D 31 -16.805 -8.340 -0.077 1.00 0.00 H new ATOM 2370 N ILE D 32 -14.326 -3.871 2.882 1.00 0.00 N ATOM 2371 CA ILE D 32 -13.107 -3.087 2.778 1.00 0.00 C ATOM 2372 C ILE D 32 -11.903 -3.963 3.119 1.00 0.00 C ATOM 2373 O ILE D 32 -11.905 -4.678 4.121 1.00 0.00 O ATOM 2374 CB ILE D 32 -13.173 -1.823 3.687 1.00 0.00 C ATOM 2375 CG1 ILE D 32 -12.015 -0.844 3.396 1.00 0.00 C ATOM 2376 CG2 ILE D 32 -13.202 -2.205 5.163 1.00 0.00 C ATOM 2377 CD1 ILE D 32 -10.678 -1.227 4.005 1.00 0.00 C ATOM 0 H ILE D 32 -14.385 -4.456 3.716 1.00 0.00 H new ATOM 0 HA ILE D 32 -12.998 -2.734 1.752 1.00 0.00 H new ATOM 0 HB ILE D 32 -14.104 -1.308 3.451 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -11.894 -0.760 2.316 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -12.294 0.144 3.763 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -13.248 -1.302 5.772 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -14.078 -2.822 5.362 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -12.300 -2.765 5.412 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -9.931 -0.477 3.744 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -10.774 -1.281 5.089 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.368 -2.198 3.620 1.00 0.00 H new ATOM 2389 N GLY D 33 -10.895 -3.934 2.262 1.00 0.00 N ATOM 2390 CA GLY D 33 -9.693 -4.702 2.500 1.00 0.00 C ATOM 2391 C GLY D 33 -8.443 -3.922 2.158 1.00 0.00 C ATOM 2392 O GLY D 33 -8.349 -3.335 1.083 1.00 0.00 O ATOM 0 H GLY D 33 -10.889 -3.388 1.400 1.00 0.00 H new ATOM 0 HA2 GLY D 33 -9.657 -5.003 3.547 1.00 0.00 H new ATOM 0 HA3 GLY D 33 -9.724 -5.616 1.906 1.00 0.00 H new ATOM 2396 N LEU D 34 -7.491 -3.905 3.072 1.00 0.00 N ATOM 2397 CA LEU D 34 -6.239 -3.200 2.854 1.00 0.00 C ATOM 2398 C LEU D 34 -5.089 -4.191 2.742 1.00 0.00 C ATOM 2399 O LEU D 34 -4.902 -5.041 3.615 1.00 0.00 O ATOM 2400 CB LEU D 34 -5.976 -2.211 3.992 1.00 0.00 C ATOM 2401 CG LEU D 34 -4.704 -1.372 3.851 1.00 0.00 C ATOM 2402 CD1 LEU D 34 -4.789 -0.462 2.632 1.00 0.00 C ATOM 2403 CD2 LEU D 34 -4.465 -0.555 5.111 1.00 0.00 C ATOM 0 H LEU D 34 -7.560 -4.373 3.976 1.00 0.00 H new ATOM 0 HA LEU D 34 -6.314 -2.642 1.921 1.00 0.00 H new ATOM 0 HB2 LEU D 34 -6.829 -1.537 4.069 1.00 0.00 H new ATOM 0 HB3 LEU D 34 -5.923 -2.766 4.928 1.00 0.00 H new ATOM 0 HG LEU D 34 -3.861 -2.049 3.712 1.00 0.00 H new ATOM 0 HD11 LEU D 34 -3.874 0.125 2.552 1.00 0.00 H new ATOM 0 HD12 LEU D 34 -4.912 -1.067 1.734 1.00 0.00 H new ATOM 0 HD13 LEU D 34 -5.642 0.208 2.737 1.00 0.00 H new ATOM 0 HD21 LEU D 34 -3.557 0.036 4.995 1.00 0.00 H new ATOM 0 HD22 LEU D 34 -5.312 0.110 5.279 1.00 0.00 H new ATOM 0 HD23 LEU D 34 -4.355 -1.225 5.964 1.00 0.00 H new ATOM 2415 N MET D 35 -4.336 -4.086 1.660 1.00 0.00 N ATOM 2416 CA MET D 35 -3.197 -4.957 1.420 1.00 0.00 C ATOM 2417 C MET D 35 -1.909 -4.147 1.432 1.00 0.00 C ATOM 2418 O MET D 35 -1.745 -3.214 0.643 1.00 0.00 O ATOM 2419 CB MET D 35 -3.344 -5.666 0.069 1.00 0.00 C ATOM 2420 CG MET D 35 -4.620 -6.483 -0.065 1.00 0.00 C ATOM 2421 SD MET D 35 -4.824 -7.187 -1.712 1.00 0.00 S ATOM 2422 CE MET D 35 -6.375 -8.062 -1.513 1.00 0.00 C ATOM 0 H MET D 35 -4.496 -3.397 0.925 1.00 0.00 H new ATOM 0 HA MET D 35 -3.160 -5.705 2.212 1.00 0.00 H new ATOM 0 HB2 MET D 35 -3.317 -4.921 -0.726 1.00 0.00 H new ATOM 0 HB3 MET D 35 -2.487 -6.323 -0.080 1.00 0.00 H new ATOM 0 HG2 MET D 35 -4.611 -7.287 0.671 1.00 0.00 H new ATOM 0 HG3 MET D 35 -5.478 -5.850 0.164 1.00 0.00 H new ATOM 0 HE1 MET D 35 -6.639 -8.553 -2.450 1.00 0.00 H new ATOM 0 HE2 MET D 35 -6.272 -8.811 -0.728 1.00 0.00 H new ATOM 0 HE3 MET D 35 -7.159 -7.356 -1.240 1.00 0.00 H new ATOM 2432 N VAL D 36 -1.000 -4.499 2.326 1.00 0.00 N ATOM 2433 CA VAL D 36 0.285 -3.823 2.416 1.00 0.00 C ATOM 2434 C VAL D 36 1.418 -4.832 2.278 1.00 0.00 C ATOM 2435 O VAL D 36 1.453 -5.838 2.986 1.00 0.00 O ATOM 2436 CB VAL D 36 0.436 -3.063 3.755 1.00 0.00 C ATOM 2437 CG1 VAL D 36 1.772 -2.334 3.815 1.00 0.00 C ATOM 2438 CG2 VAL D 36 -0.713 -2.086 3.954 1.00 0.00 C ATOM 0 H VAL D 36 -1.128 -5.252 3.002 1.00 0.00 H new ATOM 0 HA VAL D 36 0.333 -3.098 1.603 1.00 0.00 H new ATOM 0 HB VAL D 36 0.408 -3.794 4.563 1.00 0.00 H new ATOM 0 HG11 VAL D 36 1.856 -1.807 4.765 1.00 0.00 H new ATOM 0 HG12 VAL D 36 2.584 -3.055 3.727 1.00 0.00 H new ATOM 0 HG13 VAL D 36 1.833 -1.618 2.996 1.00 0.00 H new ATOM 0 HG21 VAL D 36 -0.586 -1.563 4.902 1.00 0.00 H new ATOM 0 HG22 VAL D 36 -0.721 -1.363 3.139 1.00 0.00 H new ATOM 0 HG23 VAL D 36 -1.657 -2.631 3.964 1.00 0.00 H new ATOM 2448 N GLY D 37 2.330 -4.573 1.356 1.00 0.00 N ATOM 2449 CA GLY D 37 3.448 -5.466 1.151 1.00 0.00 C ATOM 2450 C GLY D 37 4.728 -4.713 0.860 1.00 0.00 C ATOM 2451 O GLY D 37 4.726 -3.756 0.089 1.00 0.00 O ATOM 0 H GLY D 37 2.315 -3.757 0.744 1.00 0.00 H new ATOM 0 HA2 GLY D 37 3.585 -6.085 2.038 1.00 0.00 H new ATOM 0 HA3 GLY D 37 3.227 -6.140 0.323 1.00 0.00 H new ATOM 2455 N GLY D 38 5.815 -5.134 1.481 1.00 0.00 N ATOM 2456 CA GLY D 38 7.085 -4.472 1.272 1.00 0.00 C ATOM 2457 C GLY D 38 8.160 -5.436 0.827 1.00 0.00 C ATOM 2458 O GLY D 38 8.228 -6.565 1.315 1.00 0.00 O ATOM 0 H GLY D 38 5.843 -5.923 2.127 1.00 0.00 H new ATOM 0 HA2 GLY D 38 6.967 -3.690 0.522 1.00 0.00 H new ATOM 0 HA3 GLY D 38 7.396 -3.984 2.196 1.00 0.00 H new ATOM 2462 N VAL D 39 8.991 -5.002 -0.107 1.00 0.00 N ATOM 2463 CA VAL D 39 10.087 -5.823 -0.594 1.00 0.00 C ATOM 2464 C VAL D 39 11.428 -5.153 -0.312 1.00 0.00 C ATOM 2465 O VAL D 39 11.612 -3.962 -0.576 1.00 0.00 O ATOM 2466 CB VAL D 39 9.964 -6.122 -2.110 1.00 0.00 C ATOM 2467 CG1 VAL D 39 8.738 -6.976 -2.394 1.00 0.00 C ATOM 2468 CG2 VAL D 39 9.908 -4.839 -2.927 1.00 0.00 C ATOM 0 H VAL D 39 8.927 -4.083 -0.544 1.00 0.00 H new ATOM 0 HA VAL D 39 10.034 -6.771 -0.059 1.00 0.00 H new ATOM 0 HB VAL D 39 10.855 -6.675 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL D 39 8.672 -7.173 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL D 39 8.819 -7.920 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL D 39 7.843 -6.448 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.822 -5.085 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL D 39 9.044 -4.250 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.818 -4.262 -2.761 1.00 0.00 H new ATOM 2478 N VAL D 40 12.347 -5.915 0.258 1.00 0.00 N ATOM 2479 CA VAL D 40 13.692 -5.430 0.524 1.00 0.00 C ATOM 2480 C VAL D 40 14.716 -6.370 -0.098 1.00 0.00 C ATOM 2481 O VAL D 40 14.827 -7.531 0.299 1.00 0.00 O ATOM 2482 CB VAL D 40 13.970 -5.299 2.041 1.00 0.00 C ATOM 2483 CG1 VAL D 40 15.387 -4.803 2.292 1.00 0.00 C ATOM 2484 CG2 VAL D 40 12.959 -4.369 2.698 1.00 0.00 C ATOM 0 H VAL D 40 12.184 -6.879 0.547 1.00 0.00 H new ATOM 0 HA VAL D 40 13.775 -4.438 0.079 1.00 0.00 H new ATOM 0 HB VAL D 40 13.869 -6.289 2.487 1.00 0.00 H new ATOM 0 HG11 VAL D 40 15.558 -4.719 3.365 1.00 0.00 H new ATOM 0 HG12 VAL D 40 16.100 -5.508 1.865 1.00 0.00 H new ATOM 0 HG13 VAL D 40 15.519 -3.826 1.826 1.00 0.00 H new ATOM 0 HG21 VAL D 40 13.174 -4.292 3.764 1.00 0.00 H new ATOM 0 HG22 VAL D 40 13.024 -3.381 2.243 1.00 0.00 H new ATOM 0 HG23 VAL D 40 11.954 -4.767 2.559 1.00 0.00 H new ATOM 2494 N ILE D 41 15.444 -5.872 -1.084 1.00 0.00 N ATOM 2495 CA ILE D 41 16.477 -6.658 -1.741 1.00 0.00 C ATOM 2496 C ILE D 41 17.837 -6.016 -1.505 1.00 0.00 C ATOM 2497 O ILE D 41 18.130 -4.944 -2.042 1.00 0.00 O ATOM 2498 CB ILE D 41 16.224 -6.788 -3.260 1.00 0.00 C ATOM 2499 CG1 ILE D 41 14.808 -7.317 -3.524 1.00 0.00 C ATOM 2500 CG2 ILE D 41 17.262 -7.710 -3.891 1.00 0.00 C ATOM 2501 CD1 ILE D 41 14.433 -7.355 -4.990 1.00 0.00 C ATOM 0 H ILE D 41 15.339 -4.925 -1.448 1.00 0.00 H new ATOM 0 HA ILE D 41 16.455 -7.660 -1.312 1.00 0.00 H new ATOM 0 HB ILE D 41 16.314 -5.801 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE D 41 14.723 -8.322 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE D 41 14.091 -6.692 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE D 41 17.072 -7.793 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE D 41 18.259 -7.300 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE D 41 17.198 -8.697 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE D 41 13.419 -7.740 -5.096 1.00 0.00 H new ATOM 0 HD12 ILE D 41 14.484 -6.348 -5.405 1.00 0.00 H new ATOM 0 HD13 ILE D 41 15.125 -8.004 -5.526 1.00 0.00 H new ATOM 2513 N ALA D 42 18.651 -6.670 -0.694 1.00 0.00 N ATOM 2514 CA ALA D 42 19.966 -6.169 -0.333 1.00 0.00 C ATOM 2515 C ALA D 42 20.721 -7.233 0.449 1.00 0.00 C ATOM 2516 O ALA D 42 20.868 -7.081 1.679 1.00 0.00 O ATOM 2517 CB ALA D 42 19.853 -4.888 0.487 1.00 0.00 C ATOM 2518 OXT ALA D 42 21.135 -8.232 -0.166 1.00 0.00 O ATOM 0 H ALA D 42 18.418 -7.566 -0.266 1.00 0.00 H new ATOM 0 HA ALA D 42 20.515 -5.937 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA D 42 20.850 -4.532 0.745 1.00 0.00 H new ATOM 0 HB2 ALA D 42 19.336 -4.127 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA D 42 19.292 -5.088 1.400 1.00 0.00 H new