USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 606 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 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS :FLIP no HD1:sc= -2.54 F(o=-5.1!,f=-2.5) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS :FLIP no HD1:sc= -2.78 F(o=-5!,f=-2.8) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS :FLIP no HD1:sc= -2.24 F(o=-5!,f=-2.2) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS :FLIP no HD1:sc= -2.89 F(o=-4.9!,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -13.046 4.844 0.961 1.00 0.00 N ATOM 108 CA VAL A 27 -12.162 5.233 2.054 1.00 0.00 C ATOM 109 C VAL A 27 -11.994 4.084 3.045 1.00 0.00 C ATOM 110 O VAL A 27 -10.880 3.769 3.471 1.00 0.00 O ATOM 111 CB VAL A 27 -12.730 6.461 2.772 1.00 0.00 C ATOM 112 CG1 VAL A 27 -11.883 6.773 4.010 1.00 0.00 C ATOM 113 CG2 VAL A 27 -12.719 7.663 1.820 1.00 0.00 C ATOM 0 HA VAL A 27 -11.185 5.478 1.638 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.755 6.256 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.290 7.647 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.900 5.919 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.856 6.975 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.123 8.536 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.696 7.868 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.330 7.440 0.945 1.00 0.00 H new ATOM 123 N VAL A 28 -13.111 3.463 3.407 1.00 0.00 N ATOM 124 CA VAL A 28 -13.084 2.355 4.352 1.00 0.00 C ATOM 125 C VAL A 28 -12.304 1.181 3.775 1.00 0.00 C ATOM 126 O VAL A 28 -11.489 0.567 4.464 1.00 0.00 O ATOM 127 CB VAL A 28 -14.514 1.913 4.685 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.476 0.646 5.543 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.228 3.028 5.455 1.00 0.00 C ATOM 0 H VAL A 28 -14.040 3.706 3.063 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.590 2.691 5.264 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.051 1.707 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.494 0.335 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.971 -0.149 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.936 0.849 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.244 2.714 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.688 3.236 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.260 3.930 4.843 1.00 0.00 H new ATOM 139 N ALA A 29 -12.560 0.872 2.510 1.00 0.00 N ATOM 140 CA ALA A 29 -11.878 -0.234 1.854 1.00 0.00 C ATOM 141 C ALA A 29 -10.372 0.002 1.829 1.00 0.00 C ATOM 142 O ALA A 29 -9.590 -0.913 2.070 1.00 0.00 O ATOM 143 CB ALA A 29 -12.389 -0.386 0.421 1.00 0.00 C ATOM 0 H ALA A 29 -13.230 1.368 1.922 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.085 -1.145 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.874 -1.216 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.461 -0.584 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.197 0.533 -0.133 1.00 0.00 H new ATOM 149 N ALA A 30 -9.970 1.235 1.545 1.00 0.00 N ATOM 150 CA ALA A 30 -8.550 1.567 1.491 1.00 0.00 C ATOM 151 C ALA A 30 -7.854 1.157 2.785 1.00 0.00 C ATOM 152 O ALA A 30 -6.822 0.488 2.759 1.00 0.00 O ATOM 153 CB ALA A 30 -8.378 3.070 1.271 1.00 0.00 C ATOM 0 H ALA A 30 -10.599 2.014 1.350 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.098 1.023 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.316 3.313 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.851 3.357 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.844 3.614 2.093 1.00 0.00 H new ATOM 159 N SER A 31 -8.426 1.560 3.912 1.00 0.00 N ATOM 160 CA SER A 31 -7.852 1.222 5.209 1.00 0.00 C ATOM 161 C SER A 31 -7.845 -0.290 5.420 1.00 0.00 C ATOM 162 O SER A 31 -6.868 -0.852 5.904 1.00 0.00 O ATOM 163 CB SER A 31 -8.645 1.893 6.326 1.00 0.00 C ATOM 164 OG SER A 31 -8.302 1.292 7.568 1.00 0.00 O ATOM 0 H SER A 31 -9.280 2.117 3.956 1.00 0.00 H new ATOM 0 HA SER A 31 -6.824 1.583 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.427 2.961 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.714 1.790 6.142 1.00 0.00 H new ATOM 0 HG SER A 31 -8.808 1.721 8.290 1.00 0.00 H new ATOM 170 N ILE A 32 -8.948 -0.936 5.055 1.00 0.00 N ATOM 171 CA ILE A 32 -9.069 -2.382 5.214 1.00 0.00 C ATOM 172 C ILE A 32 -8.020 -3.110 4.379 1.00 0.00 C ATOM 173 O ILE A 32 -7.421 -4.085 4.833 1.00 0.00 O ATOM 174 CB ILE A 32 -10.471 -2.844 4.801 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.497 -2.320 5.808 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.521 -4.373 4.767 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.908 -2.578 5.275 1.00 0.00 C ATOM 0 H ILE A 32 -9.767 -0.484 4.649 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.905 -2.623 6.264 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.703 -2.455 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.364 -2.814 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.348 -1.253 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.519 -4.698 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.792 -4.745 4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.288 -4.767 5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.641 -2.206 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.037 -2.064 4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.053 -3.649 5.132 1.00 0.00 H new ATOM 189 N ILE A 33 -7.806 -2.639 3.161 1.00 0.00 N ATOM 190 CA ILE A 33 -6.832 -3.265 2.277 1.00 0.00 C ATOM 191 C ILE A 33 -5.446 -3.261 2.913 1.00 0.00 C ATOM 192 O ILE A 33 -4.723 -4.253 2.844 1.00 0.00 O ATOM 193 CB ILE A 33 -6.786 -2.508 0.943 1.00 0.00 C ATOM 194 CG1 ILE A 33 -8.068 -2.776 0.148 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.572 -2.959 0.122 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.200 -1.749 -0.984 1.00 0.00 C ATOM 0 H ILE A 33 -8.288 -1.833 2.763 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.134 -4.298 2.104 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.703 -1.441 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.047 -3.785 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.934 -2.718 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.549 -2.415 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.659 -2.754 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.644 -4.028 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.113 -1.943 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.241 -0.745 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.340 -1.828 -1.649 1.00 0.00 H new ATOM 208 N GLY A 34 -5.076 -2.143 3.517 1.00 0.00 N ATOM 209 CA GLY A 34 -3.767 -2.037 4.141 1.00 0.00 C ATOM 210 C GLY A 34 -3.592 -3.080 5.241 1.00 0.00 C ATOM 211 O GLY A 34 -2.590 -3.789 5.276 1.00 0.00 O ATOM 0 H GLY A 34 -5.655 -1.306 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.991 -2.167 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.641 -1.039 4.560 1.00 0.00 H new ATOM 215 N ILE A 35 -4.570 -3.164 6.138 1.00 0.00 N ATOM 216 CA ILE A 35 -4.502 -4.121 7.238 1.00 0.00 C ATOM 217 C ILE A 35 -4.503 -5.553 6.721 1.00 0.00 C ATOM 218 O ILE A 35 -3.694 -6.371 7.144 1.00 0.00 O ATOM 219 CB ILE A 35 -5.690 -3.920 8.177 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.747 -2.455 8.629 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.551 -4.828 9.400 1.00 0.00 C ATOM 222 CD1 ILE A 35 -4.427 -2.029 9.290 1.00 0.00 C ATOM 0 H ILE A 35 -5.411 -2.587 6.126 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.571 -3.948 7.778 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.608 -4.174 7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.951 -1.814 7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.569 -2.319 9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.403 -4.678 10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.521 -5.869 9.079 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.630 -4.585 9.931 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.495 -0.986 9.601 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.238 -2.656 10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.610 -2.142 8.577 1.00 0.00 H new ATOM 234 N LEU A 36 -5.419 -5.853 5.816 1.00 0.00 N ATOM 235 CA LEU A 36 -5.514 -7.203 5.277 1.00 0.00 C ATOM 236 C LEU A 36 -4.235 -7.594 4.545 1.00 0.00 C ATOM 237 O LEU A 36 -3.736 -8.704 4.703 1.00 0.00 O ATOM 238 CB LEU A 36 -6.697 -7.286 4.310 1.00 0.00 C ATOM 239 CG LEU A 36 -8.023 -7.358 5.091 1.00 0.00 C ATOM 240 CD1 LEU A 36 -9.207 -7.310 4.104 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.089 -8.655 5.940 1.00 0.00 C ATOM 0 H LEU A 36 -6.100 -5.192 5.442 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.661 -7.893 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.701 -6.416 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.594 -8.165 3.673 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.080 -6.504 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.145 -7.361 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.171 -6.380 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.144 -8.155 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.033 -8.686 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.019 -9.523 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.261 -8.668 6.649 1.00 0.00 H new ATOM 253 N HIS A 37 -3.712 -6.678 3.749 1.00 0.00 N ATOM 254 CA HIS A 37 -2.497 -6.948 2.998 1.00 0.00 C ATOM 255 C HIS A 37 -1.315 -7.143 3.937 1.00 0.00 C ATOM 256 O HIS A 37 -0.486 -8.026 3.728 1.00 0.00 O ATOM 257 CB HIS A 37 -2.211 -5.792 2.048 1.00 0.00 C ATOM 258 CG HIS A 37 -0.989 -6.109 1.236 1.00 0.00 C ATOM 259 ND1 HIS A 37 0.318 -6.328 1.597 1.00 0.00 N flip ATOM 260 CD2 HIS A 37 -1.028 -6.239 -0.142 1.00 0.00 C flip ATOM 261 CE1 HIS A 37 1.079 -6.588 0.461 1.00 0.00 C flip ATOM 262 NE2 HIS A 37 0.219 -6.524 -0.557 1.00 0.00 N flip ATOM 0 H HIS A 37 -4.105 -5.748 3.606 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.641 -7.864 2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.065 -5.626 1.391 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.059 -4.872 2.612 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.901 -6.131 -0.769 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.138 -6.797 0.414 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.476 -6.673 -1.533 1.00 0.00 H new ATOM 270 N LEU A 38 -1.237 -6.306 4.961 1.00 0.00 N ATOM 271 CA LEU A 38 -0.142 -6.387 5.920 1.00 0.00 C ATOM 272 C LEU A 38 -0.152 -7.729 6.642 1.00 0.00 C ATOM 273 O LEU A 38 0.897 -8.314 6.878 1.00 0.00 O ATOM 274 CB LEU A 38 -0.248 -5.230 6.941 1.00 0.00 C ATOM 275 CG LEU A 38 0.815 -4.165 6.640 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.476 -2.882 7.398 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.213 -4.688 7.053 1.00 0.00 C ATOM 0 H LEU A 38 -1.914 -5.567 5.150 1.00 0.00 H new ATOM 0 HA LEU A 38 0.799 -6.299 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.242 -4.786 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.114 -5.613 7.953 1.00 0.00 H new ATOM 0 HG LEU A 38 0.828 -3.951 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.230 -2.124 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.502 -2.520 7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.458 -3.086 8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.964 -3.928 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.218 -4.910 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.442 -5.594 6.493 1.00 0.00 H new ATOM 289 N ILE A 39 -1.334 -8.202 6.996 1.00 0.00 N ATOM 290 CA ILE A 39 -1.439 -9.469 7.704 1.00 0.00 C ATOM 291 C ILE A 39 -0.886 -10.606 6.849 1.00 0.00 C ATOM 292 O ILE A 39 -0.151 -11.457 7.337 1.00 0.00 O ATOM 293 CB ILE A 39 -2.908 -9.741 8.042 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.378 -8.755 9.117 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.069 -11.173 8.559 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.907 -8.783 9.202 1.00 0.00 C ATOM 0 H ILE A 39 -2.223 -7.738 6.809 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.855 -9.411 8.623 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.510 -9.615 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.945 -9.019 10.082 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.035 -7.749 8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.116 -11.358 8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.741 -11.875 7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.464 -11.306 9.456 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.242 -8.082 9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.330 -8.499 8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.239 -9.788 9.462 1.00 0.00 H new ATOM 308 N LEU A 40 -1.243 -10.620 5.579 1.00 0.00 N ATOM 309 CA LEU A 40 -0.758 -11.661 4.678 1.00 0.00 C ATOM 310 C LEU A 40 0.707 -11.436 4.313 1.00 0.00 C ATOM 311 O LEU A 40 1.498 -12.379 4.251 1.00 0.00 O ATOM 312 CB LEU A 40 -1.608 -11.684 3.416 1.00 0.00 C ATOM 313 CG LEU A 40 -3.087 -11.804 3.800 1.00 0.00 C ATOM 314 CD1 LEU A 40 -3.945 -11.727 2.535 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.340 -13.143 4.518 1.00 0.00 C ATOM 0 H LEU A 40 -1.860 -9.933 5.146 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.836 -12.620 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.444 -10.775 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.316 -12.522 2.783 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.351 -10.988 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.998 -11.812 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.774 -10.773 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.675 -12.541 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.394 -13.218 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.075 -13.967 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.731 -13.193 5.421 1.00 0.00 H new ATOM 327 N TRP A 41 1.054 -10.181 4.054 1.00 0.00 N ATOM 328 CA TRP A 41 2.417 -9.840 3.672 1.00 0.00 C ATOM 329 C TRP A 41 3.397 -10.036 4.825 1.00 0.00 C ATOM 330 O TRP A 41 4.473 -10.609 4.645 1.00 0.00 O ATOM 331 CB TRP A 41 2.474 -8.389 3.175 1.00 0.00 C ATOM 332 CG TRP A 41 3.901 -7.981 2.977 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.646 -8.254 1.882 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.744 -7.181 3.857 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.912 -7.727 2.063 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.014 -7.046 3.256 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.538 -6.580 5.111 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.041 -6.341 3.875 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.571 -5.858 5.730 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.818 -5.743 5.113 1.00 0.00 C ATOM 0 H TRP A 41 0.414 -9.388 4.101 1.00 0.00 H new ATOM 0 HA TRP A 41 2.714 -10.514 2.869 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.925 -8.293 2.238 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.993 -7.728 3.896 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.308 -8.794 1.010 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.676 -7.830 1.395 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.580 -6.674 5.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.006 -6.258 3.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.400 -5.389 6.688 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.610 -5.190 5.596 1.00 0.00 H new ATOM 351 N ILE A 42 3.030 -9.549 5.995 1.00 0.00 N ATOM 352 CA ILE A 42 3.897 -9.665 7.154 1.00 0.00 C ATOM 353 C ILE A 42 4.140 -11.132 7.485 1.00 0.00 C ATOM 354 O ILE A 42 5.243 -11.514 7.877 1.00 0.00 O ATOM 355 CB ILE A 42 3.252 -8.959 8.358 1.00 0.00 C ATOM 356 CG1 ILE A 42 4.285 -8.792 9.472 1.00 0.00 C ATOM 357 CG2 ILE A 42 2.071 -9.790 8.882 1.00 0.00 C ATOM 358 CD1 ILE A 42 3.710 -7.885 10.562 1.00 0.00 C ATOM 0 H ILE A 42 2.145 -9.073 6.169 1.00 0.00 H new ATOM 0 HA ILE A 42 4.853 -9.192 6.929 1.00 0.00 H new ATOM 0 HB ILE A 42 2.893 -7.979 8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.545 -9.764 9.891 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.203 -8.362 9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.619 -9.283 9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.328 -9.904 8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.426 -10.773 9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.444 -7.763 11.359 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.472 -6.910 10.136 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.804 -8.334 10.969 1.00 0.00 H new ATOM 370 N LEU A 43 3.101 -11.949 7.341 1.00 0.00 N ATOM 371 CA LEU A 43 3.222 -13.366 7.647 1.00 0.00 C ATOM 372 C LEU A 43 4.263 -14.011 6.731 1.00 0.00 C ATOM 373 O LEU A 43 5.072 -14.834 7.164 1.00 0.00 O ATOM 374 CB LEU A 43 1.854 -14.058 7.467 1.00 0.00 C ATOM 375 CG LEU A 43 1.730 -15.247 8.424 1.00 0.00 C ATOM 376 CD1 LEU A 43 0.369 -15.920 8.227 1.00 0.00 C ATOM 377 CD2 LEU A 43 2.859 -16.254 8.169 1.00 0.00 C ATOM 0 H LEU A 43 2.178 -11.657 7.019 1.00 0.00 H new ATOM 0 HA LEU A 43 3.545 -13.482 8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.051 -13.346 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.743 -14.398 6.437 1.00 0.00 H new ATOM 0 HG LEU A 43 1.810 -14.890 9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.280 -16.767 8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.425 -15.203 8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.282 -16.271 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.759 -17.094 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.799 -16.615 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.822 -15.769 8.327 1.00 0.00 H new ATOM 389 N ASP A 44 4.243 -13.632 5.460 1.00 0.00 N ATOM 390 CA ASP A 44 5.184 -14.191 4.499 1.00 0.00 C ATOM 391 C ASP A 44 6.617 -13.905 4.928 1.00 0.00 C ATOM 392 O ASP A 44 7.487 -14.770 4.831 1.00 0.00 O ATOM 393 CB ASP A 44 4.936 -13.586 3.116 1.00 0.00 C ATOM 394 CG ASP A 44 3.645 -14.142 2.522 1.00 0.00 C ATOM 395 OD1 ASP A 44 3.183 -15.159 3.011 1.00 0.00 O ATOM 396 OD2 ASP A 44 3.142 -13.545 1.586 1.00 0.00 O ATOM 0 H ASP A 44 3.593 -12.947 5.074 1.00 0.00 H new ATOM 0 HA ASP A 44 5.036 -15.270 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.872 -12.501 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.775 -13.811 2.457 1.00 0.00 H new ATOM 630 N VAL B 28 -9.556 8.373 -6.034 1.00 0.00 N ATOM 631 CA VAL B 28 -9.960 7.226 -6.838 1.00 0.00 C ATOM 632 C VAL B 28 -8.744 6.389 -7.219 1.00 0.00 C ATOM 633 O VAL B 28 -8.774 5.161 -7.138 1.00 0.00 O ATOM 634 CB VAL B 28 -10.683 7.697 -8.104 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.948 6.499 -9.023 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.014 8.348 -7.720 1.00 0.00 C ATOM 0 HA VAL B 28 -10.639 6.612 -6.247 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.059 8.422 -8.626 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.462 6.837 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.001 6.036 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.570 5.771 -8.502 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.528 8.683 -8.621 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.636 7.623 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.827 9.203 -7.070 1.00 0.00 H new ATOM 646 N ALA B 29 -7.680 7.060 -7.637 1.00 0.00 N ATOM 647 CA ALA B 29 -6.462 6.367 -8.034 1.00 0.00 C ATOM 648 C ALA B 29 -5.896 5.569 -6.865 1.00 0.00 C ATOM 649 O ALA B 29 -5.453 4.437 -7.036 1.00 0.00 O ATOM 650 CB ALA B 29 -5.418 7.378 -8.512 1.00 0.00 C ATOM 0 H ALA B 29 -7.635 8.076 -7.710 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.705 5.682 -8.846 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.510 6.852 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.811 7.931 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.188 8.073 -7.704 1.00 0.00 H new ATOM 656 N ALA B 30 -5.917 6.162 -5.679 1.00 0.00 N ATOM 657 CA ALA B 30 -5.396 5.488 -4.495 1.00 0.00 C ATOM 658 C ALA B 30 -6.049 4.122 -4.323 1.00 0.00 C ATOM 659 O ALA B 30 -5.367 3.113 -4.147 1.00 0.00 O ATOM 660 CB ALA B 30 -5.661 6.341 -3.255 1.00 0.00 C ATOM 0 H ALA B 30 -6.285 7.098 -5.510 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.322 5.349 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.270 5.833 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.168 7.307 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -6.734 6.492 -3.140 1.00 0.00 H new ATOM 666 N SER B 31 -7.374 4.096 -4.378 1.00 0.00 N ATOM 667 CA SER B 31 -8.109 2.842 -4.232 1.00 0.00 C ATOM 668 C SER B 31 -7.762 1.878 -5.362 1.00 0.00 C ATOM 669 O SER B 31 -7.564 0.689 -5.133 1.00 0.00 O ATOM 670 CB SER B 31 -9.610 3.111 -4.231 1.00 0.00 C ATOM 671 OG SER B 31 -10.305 1.888 -4.435 1.00 0.00 O ATOM 0 H SER B 31 -7.959 4.919 -4.521 1.00 0.00 H new ATOM 0 HA SER B 31 -7.823 2.387 -3.284 1.00 0.00 H new ATOM 0 HB2 SER B 31 -9.910 3.560 -3.284 1.00 0.00 H new ATOM 0 HB3 SER B 31 -9.864 3.823 -5.016 1.00 0.00 H new ATOM 0 HG SER B 31 -11.270 2.056 -4.434 1.00 0.00 H new ATOM 677 N ILE B 32 -7.692 2.404 -6.580 1.00 0.00 N ATOM 678 CA ILE B 32 -7.377 1.582 -7.746 1.00 0.00 C ATOM 679 C ILE B 32 -5.985 0.968 -7.617 1.00 0.00 C ATOM 680 O ILE B 32 -5.781 -0.200 -7.945 1.00 0.00 O ATOM 681 CB ILE B 32 -7.455 2.425 -9.022 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.909 2.815 -9.289 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.914 1.617 -10.208 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.961 3.847 -10.418 1.00 0.00 C ATOM 0 H ILE B 32 -7.848 3.391 -6.787 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.108 0.776 -7.802 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.855 3.326 -8.896 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.489 1.933 -9.561 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.358 3.226 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.971 2.219 -11.115 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.876 1.343 -10.019 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.510 0.713 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.997 4.126 -10.609 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.395 4.732 -10.128 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.528 3.419 -11.322 1.00 0.00 H new ATOM 696 N ILE B 33 -5.035 1.761 -7.147 1.00 0.00 N ATOM 697 CA ILE B 33 -3.670 1.277 -6.991 1.00 0.00 C ATOM 698 C ILE B 33 -3.628 0.066 -6.067 1.00 0.00 C ATOM 699 O ILE B 33 -2.928 -0.909 -6.344 1.00 0.00 O ATOM 700 CB ILE B 33 -2.790 2.393 -6.409 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.561 3.479 -7.466 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.439 1.825 -5.958 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.019 4.745 -6.793 1.00 0.00 C ATOM 0 H ILE B 33 -5.180 2.732 -6.869 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.295 0.982 -7.971 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.299 2.825 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.857 3.125 -8.219 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.495 3.701 -7.982 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.826 2.627 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.601 1.065 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.929 1.379 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.857 5.516 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.739 5.102 -6.057 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.075 4.518 -6.297 1.00 0.00 H new ATOM 715 N GLY B 34 -4.364 0.132 -4.971 1.00 0.00 N ATOM 716 CA GLY B 34 -4.379 -0.969 -4.019 1.00 0.00 C ATOM 717 C GLY B 34 -4.871 -2.257 -4.672 1.00 0.00 C ATOM 718 O GLY B 34 -4.237 -3.301 -4.548 1.00 0.00 O ATOM 0 H GLY B 34 -4.953 0.926 -4.718 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.376 -1.121 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -5.023 -0.716 -3.177 1.00 0.00 H new ATOM 722 N ILE B 35 -6.004 -2.175 -5.360 1.00 0.00 N ATOM 723 CA ILE B 35 -6.570 -3.350 -6.018 1.00 0.00 C ATOM 724 C ILE B 35 -5.644 -3.870 -7.106 1.00 0.00 C ATOM 725 O ILE B 35 -5.382 -5.065 -7.187 1.00 0.00 O ATOM 726 CB ILE B 35 -7.926 -3.000 -6.633 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.835 -2.387 -5.559 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.584 -4.258 -7.203 1.00 0.00 C ATOM 729 CD1 ILE B 35 -8.986 -3.334 -4.358 1.00 0.00 C ATOM 0 H ILE B 35 -6.545 -1.318 -5.477 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.694 -4.129 -5.266 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.776 -2.281 -7.438 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.420 -1.436 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -9.816 -2.175 -5.985 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.549 -3.998 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.942 -4.688 -7.972 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.730 -4.986 -6.405 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -9.635 -2.875 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.424 -4.275 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.007 -3.524 -3.919 1.00 0.00 H new ATOM 741 N LEU B 36 -5.159 -2.974 -7.948 1.00 0.00 N ATOM 742 CA LEU B 36 -4.279 -3.379 -9.037 1.00 0.00 C ATOM 743 C LEU B 36 -2.996 -4.006 -8.503 1.00 0.00 C ATOM 744 O LEU B 36 -2.537 -5.025 -9.010 1.00 0.00 O ATOM 745 CB LEU B 36 -3.932 -2.162 -9.895 1.00 0.00 C ATOM 746 CG LEU B 36 -5.118 -1.795 -10.810 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.800 -0.492 -11.571 1.00 0.00 C ATOM 748 CD2 LEU B 36 -5.409 -2.942 -11.813 1.00 0.00 C ATOM 0 H LEU B 36 -5.354 -1.974 -7.903 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.801 -4.123 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.683 -1.316 -9.254 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.050 -2.374 -10.499 1.00 0.00 H new ATOM 0 HG LEU B 36 -6.005 -1.646 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.639 -0.234 -12.217 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.630 0.314 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.905 -0.634 -12.177 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -6.249 -2.664 -12.450 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.528 -3.118 -12.430 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -5.655 -3.851 -11.265 1.00 0.00 H new ATOM 760 N HIS B 37 -2.423 -3.390 -7.484 1.00 0.00 N ATOM 761 CA HIS B 37 -1.192 -3.899 -6.902 1.00 0.00 C ATOM 762 C HIS B 37 -1.421 -5.257 -6.254 1.00 0.00 C ATOM 763 O HIS B 37 -0.596 -6.161 -6.378 1.00 0.00 O ATOM 764 CB HIS B 37 -0.670 -2.916 -5.860 1.00 0.00 C ATOM 765 CG HIS B 37 0.631 -3.424 -5.307 1.00 0.00 C ATOM 766 ND1 HIS B 37 0.945 -4.559 -4.605 1.00 0.00 N flip ATOM 767 CD2 HIS B 37 1.820 -2.730 -5.459 1.00 0.00 C flip ATOM 768 CE1 HIS B 37 2.306 -4.573 -4.321 1.00 0.00 C flip ATOM 769 NE2 HIS B 37 2.786 -3.450 -4.859 1.00 0.00 N flip ATOM 0 H HIS B 37 -2.786 -2.544 -7.045 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.456 -4.014 -7.698 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.528 -1.933 -6.309 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.398 -2.798 -5.058 1.00 0.00 H new ATOM 0 HD2 HIS B 37 1.948 -1.785 -5.966 1.00 0.00 H new ATOM 0 HE1 HIS B 37 2.856 -5.330 -3.781 1.00 0.00 H new ATOM 0 HE2 HIS B 37 3.766 -3.171 -4.820 1.00 0.00 H new ATOM 777 N LEU B 38 -2.539 -5.390 -5.553 1.00 0.00 N ATOM 778 CA LEU B 38 -2.860 -6.640 -4.875 1.00 0.00 C ATOM 779 C LEU B 38 -3.011 -7.777 -5.881 1.00 0.00 C ATOM 780 O LEU B 38 -2.569 -8.890 -5.627 1.00 0.00 O ATOM 781 CB LEU B 38 -4.160 -6.477 -4.055 1.00 0.00 C ATOM 782 CG LEU B 38 -3.829 -6.379 -2.562 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.050 -5.859 -1.805 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.406 -7.768 -2.021 1.00 0.00 C ATOM 0 H LEU B 38 -3.235 -4.653 -5.439 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.041 -6.888 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.693 -5.583 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.822 -7.324 -4.234 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.000 -5.686 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.817 -5.789 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.320 -4.873 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.886 -6.544 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -3.173 -7.689 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -4.222 -8.477 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.526 -8.116 -2.561 1.00 0.00 H new ATOM 796 N ILE B 39 -3.639 -7.493 -7.007 1.00 0.00 N ATOM 797 CA ILE B 39 -3.841 -8.519 -8.016 1.00 0.00 C ATOM 798 C ILE B 39 -2.500 -9.042 -8.523 1.00 0.00 C ATOM 799 O ILE B 39 -2.308 -10.243 -8.673 1.00 0.00 O ATOM 800 CB ILE B 39 -4.646 -7.935 -9.181 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.086 -7.670 -8.730 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.654 -8.915 -10.358 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.786 -6.772 -9.752 1.00 0.00 C ATOM 0 H ILE B 39 -4.014 -6.575 -7.245 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.390 -9.349 -7.572 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.183 -7.000 -9.497 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.625 -8.612 -8.628 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.089 -7.194 -7.750 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.229 -8.490 -11.181 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.631 -9.098 -10.686 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.108 -9.855 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.810 -6.584 -9.430 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.251 -5.826 -9.831 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.796 -7.266 -10.724 1.00 0.00 H new ATOM 815 N LEU B 40 -1.578 -8.138 -8.792 1.00 0.00 N ATOM 816 CA LEU B 40 -0.259 -8.537 -9.274 1.00 0.00 C ATOM 817 C LEU B 40 0.581 -9.134 -8.147 1.00 0.00 C ATOM 818 O LEU B 40 1.290 -10.124 -8.339 1.00 0.00 O ATOM 819 CB LEU B 40 0.456 -7.335 -9.871 1.00 0.00 C ATOM 820 CG LEU B 40 -0.441 -6.682 -10.930 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.237 -5.414 -11.456 1.00 0.00 C ATOM 822 CD2 LEU B 40 -0.683 -7.660 -12.094 1.00 0.00 C ATOM 0 H LEU B 40 -1.710 -7.132 -8.688 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.391 -9.300 -10.041 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.696 -6.615 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.400 -7.645 -10.319 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.400 -6.426 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.398 -4.947 -12.209 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.395 -4.718 -10.633 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.197 -5.673 -11.901 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.321 -7.187 -12.840 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.271 -7.927 -12.549 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.170 -8.560 -11.718 1.00 0.00 H new ATOM 834 N TRP B 41 0.510 -8.510 -6.979 1.00 0.00 N ATOM 835 CA TRP B 41 1.282 -8.969 -5.830 1.00 0.00 C ATOM 836 C TRP B 41 0.788 -10.316 -5.313 1.00 0.00 C ATOM 837 O TRP B 41 1.584 -11.215 -5.041 1.00 0.00 O ATOM 838 CB TRP B 41 1.224 -7.923 -4.711 1.00 0.00 C ATOM 839 CG TRP B 41 1.848 -8.483 -3.470 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.173 -8.511 -3.207 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.187 -9.038 -2.295 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.371 -9.107 -1.976 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.177 -9.434 -1.370 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.160 -9.251 -1.954 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.842 -10.015 -0.151 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.497 -9.826 -0.719 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.503 -10.210 0.177 1.00 0.00 C ATOM 0 H TRP B 41 -0.070 -7.690 -6.801 1.00 0.00 H new ATOM 0 HA TRP B 41 2.314 -9.101 -6.156 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.748 -7.018 -5.018 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.189 -7.641 -4.515 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.950 -8.130 -3.853 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.288 -9.283 -1.566 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.940 -8.971 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.618 -10.314 0.538 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.535 -9.972 -0.460 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.238 -10.658 1.123 1.00 0.00 H new ATOM 858 N ILE B 42 -0.518 -10.445 -5.169 1.00 0.00 N ATOM 859 CA ILE B 42 -1.092 -11.680 -4.666 1.00 0.00 C ATOM 860 C ILE B 42 -0.762 -12.835 -5.605 1.00 0.00 C ATOM 861 O ILE B 42 -0.506 -13.953 -5.161 1.00 0.00 O ATOM 862 CB ILE B 42 -2.615 -11.530 -4.537 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.180 -12.688 -3.713 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.263 -11.534 -5.930 1.00 0.00 C ATOM 865 CD1 ILE B 42 -4.650 -12.410 -3.393 1.00 0.00 C ATOM 0 H ILE B 42 -1.197 -9.717 -5.391 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.668 -11.893 -3.685 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.836 -10.586 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.087 -13.623 -4.266 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.611 -12.805 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.343 -11.427 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.869 -10.704 -6.517 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.037 -12.474 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -5.057 -13.233 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.730 -11.484 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.213 -12.314 -4.322 1.00 0.00 H new ATOM 877 N LEU B 43 -0.787 -12.560 -6.905 1.00 0.00 N ATOM 878 CA LEU B 43 -0.505 -13.596 -7.888 1.00 0.00 C ATOM 879 C LEU B 43 0.923 -14.117 -7.702 1.00 0.00 C ATOM 880 O LEU B 43 1.179 -15.319 -7.784 1.00 0.00 O ATOM 881 CB LEU B 43 -0.683 -13.029 -9.311 1.00 0.00 C ATOM 882 CG LEU B 43 -1.129 -14.135 -10.273 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.291 -13.553 -11.679 1.00 0.00 C ATOM 884 CD2 LEU B 43 -0.099 -15.271 -10.288 1.00 0.00 C ATOM 0 H LEU B 43 -0.997 -11.642 -7.297 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.202 -14.422 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -1.422 -12.227 -9.300 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.255 -12.594 -9.656 1.00 0.00 H new ATOM 0 HG LEU B 43 -2.085 -14.538 -9.938 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.608 -14.339 -12.364 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.041 -12.763 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.339 -13.142 -12.015 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.427 -16.051 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.866 -14.883 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.003 -15.688 -9.286 1.00 0.00 H new ATOM 896 N ASP B 44 1.852 -13.205 -7.452 1.00 0.00 N ATOM 897 CA ASP B 44 3.246 -13.589 -7.270 1.00 0.00 C ATOM 898 C ASP B 44 3.383 -14.558 -6.105 1.00 0.00 C ATOM 899 O ASP B 44 4.125 -15.537 -6.184 1.00 0.00 O ATOM 900 CB ASP B 44 4.097 -12.346 -7.006 1.00 0.00 C ATOM 901 CG ASP B 44 4.249 -11.528 -8.285 1.00 0.00 C ATOM 902 OD1 ASP B 44 3.992 -12.071 -9.346 1.00 0.00 O ATOM 903 OD2 ASP B 44 4.623 -10.372 -8.184 1.00 0.00 O ATOM 0 H ASP B 44 1.670 -12.205 -7.371 1.00 0.00 H new ATOM 0 HA ASP B 44 3.593 -14.080 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.633 -11.737 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP B 44 5.079 -12.641 -6.636 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.740 13.954 -0.018 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.844 13.999 -1.164 1.00 0.00 C ATOM 1139 C VAL C 28 0.271 12.970 -1.014 1.00 0.00 C ATOM 1140 O VAL C 28 0.603 12.257 -1.960 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.238 15.400 -1.305 1.00 0.00 C ATOM 1142 CG1 VAL C 28 0.827 15.395 -2.407 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.340 16.400 -1.667 1.00 0.00 C ATOM 0 HA VAL C 28 -1.420 13.764 -2.059 1.00 0.00 H new ATOM 0 HB VAL C 28 0.222 15.689 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.255 16.393 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.614 14.686 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.371 15.103 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.909 17.396 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.801 16.108 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -2.096 16.409 -0.881 1.00 0.00 H new ATOM 1153 N ALA C 29 0.843 12.900 0.182 1.00 0.00 N ATOM 1154 CA ALA C 29 1.922 11.957 0.443 1.00 0.00 C ATOM 1155 C ALA C 29 1.446 10.525 0.229 1.00 0.00 C ATOM 1156 O ALA C 29 2.160 9.708 -0.343 1.00 0.00 O ATOM 1157 CB ALA C 29 2.418 12.117 1.883 1.00 0.00 C ATOM 0 H ALA C 29 0.580 13.479 0.979 1.00 0.00 H new ATOM 0 HA ALA C 29 2.737 12.167 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.225 11.409 2.071 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.785 13.133 2.031 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.597 11.924 2.574 1.00 0.00 H new ATOM 1163 N ALA C 30 0.237 10.230 0.688 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.312 8.886 0.539 1.00 0.00 C ATOM 1165 C ALA C 30 -0.267 8.446 -0.920 1.00 0.00 C ATOM 1166 O ALA C 30 0.214 7.357 -1.235 1.00 0.00 O ATOM 1167 CB ALA C 30 -1.756 8.862 1.036 1.00 0.00 C ATOM 0 H ALA C 30 -0.377 10.893 1.161 1.00 0.00 H new ATOM 0 HA ALA C 30 0.291 8.197 1.131 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.163 7.857 0.923 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -1.784 9.149 2.087 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.353 9.563 0.453 1.00 0.00 H new ATOM 1173 N SER C 31 -0.766 9.299 -1.806 1.00 0.00 N ATOM 1174 CA SER C 31 -0.771 8.985 -3.231 1.00 0.00 C ATOM 1175 C SER C 31 0.653 8.838 -3.758 1.00 0.00 C ATOM 1176 O SER C 31 0.947 7.927 -4.526 1.00 0.00 O ATOM 1177 CB SER C 31 -1.492 10.082 -4.008 1.00 0.00 C ATOM 1178 OG SER C 31 -1.197 9.949 -5.391 1.00 0.00 O ATOM 0 H SER C 31 -1.169 10.205 -1.567 1.00 0.00 H new ATOM 0 HA SER C 31 -1.295 8.039 -3.368 1.00 0.00 H new ATOM 0 HB2 SER C 31 -2.568 10.012 -3.845 1.00 0.00 H new ATOM 0 HB3 SER C 31 -1.179 11.063 -3.650 1.00 0.00 H new ATOM 0 HG SER C 31 -1.660 10.652 -5.893 1.00 0.00 H new ATOM 1184 N ILE C 32 1.528 9.744 -3.336 1.00 0.00 N ATOM 1185 CA ILE C 32 2.923 9.715 -3.775 1.00 0.00 C ATOM 1186 C ILE C 32 3.604 8.425 -3.330 1.00 0.00 C ATOM 1187 O ILE C 32 4.365 7.823 -4.087 1.00 0.00 O ATOM 1188 CB ILE C 32 3.679 10.922 -3.209 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.157 12.202 -3.864 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.174 10.773 -3.495 1.00 0.00 C ATOM 1191 CD1 ILE C 32 3.739 13.417 -3.139 1.00 0.00 C ATOM 0 H ILE C 32 1.301 10.504 -2.695 1.00 0.00 H new ATOM 0 HA ILE C 32 2.939 9.759 -4.864 1.00 0.00 H new ATOM 0 HB ILE C 32 3.523 10.975 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.436 12.225 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.068 12.227 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.709 11.633 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.545 9.862 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.335 10.718 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.368 14.330 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.437 13.395 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE C 32 4.827 13.393 -3.204 1.00 0.00 H new ATOM 1203 N ILE C 33 3.336 8.009 -2.102 1.00 0.00 N ATOM 1204 CA ILE C 33 3.940 6.794 -1.574 1.00 0.00 C ATOM 1205 C ILE C 33 3.589 5.594 -2.449 1.00 0.00 C ATOM 1206 O ILE C 33 4.445 4.756 -2.734 1.00 0.00 O ATOM 1207 CB ILE C 33 3.442 6.547 -0.146 1.00 0.00 C ATOM 1208 CG1 ILE C 33 4.059 7.577 0.807 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.821 5.134 0.314 1.00 0.00 C ATOM 1210 CD1 ILE C 33 3.292 7.578 2.134 1.00 0.00 C ATOM 0 H ILE C 33 2.710 8.490 -1.456 1.00 0.00 H new ATOM 0 HA ILE C 33 5.023 6.920 -1.569 1.00 0.00 H new ATOM 0 HB ILE C 33 2.357 6.645 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE C 33 5.109 7.341 0.983 1.00 0.00 H new ATOM 0 HG13 ILE C 33 4.026 8.569 0.356 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.461 4.973 1.330 1.00 0.00 H new ATOM 0 HG22 ILE C 33 3.367 4.400 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.905 5.023 0.292 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.733 8.311 2.809 1.00 0.00 H new ATOM 0 HD12 ILE C 33 2.249 7.835 1.951 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.348 6.588 2.587 1.00 0.00 H new ATOM 1222 N GLY C 34 2.335 5.509 -2.859 1.00 0.00 N ATOM 1223 CA GLY C 34 1.900 4.392 -3.687 1.00 0.00 C ATOM 1224 C GLY C 34 2.680 4.338 -4.996 1.00 0.00 C ATOM 1225 O GLY C 34 3.195 3.288 -5.372 1.00 0.00 O ATOM 0 H GLY C 34 1.607 6.189 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY C 34 2.035 3.458 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.835 4.486 -3.899 1.00 0.00 H new ATOM 1229 N ILE C 35 2.760 5.471 -5.686 1.00 0.00 N ATOM 1230 CA ILE C 35 3.475 5.527 -6.958 1.00 0.00 C ATOM 1231 C ILE C 35 4.957 5.237 -6.770 1.00 0.00 C ATOM 1232 O ILE C 35 5.538 4.448 -7.505 1.00 0.00 O ATOM 1233 CB ILE C 35 3.308 6.911 -7.588 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.815 7.247 -7.696 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.941 6.933 -8.980 1.00 0.00 C ATOM 1236 CD1 ILE C 35 1.063 6.171 -8.494 1.00 0.00 C ATOM 0 H ILE C 35 2.344 6.354 -5.391 1.00 0.00 H new ATOM 0 HA ILE C 35 3.053 4.766 -7.614 1.00 0.00 H new ATOM 0 HB ILE C 35 3.804 7.651 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE C 35 1.385 7.331 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE C 35 1.691 8.216 -8.179 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.817 7.922 -9.420 1.00 0.00 H new ATOM 0 HG22 ILE C 35 5.003 6.702 -8.900 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.455 6.191 -9.613 1.00 0.00 H new ATOM 0 HD11 ILE C 35 0.007 6.435 -8.555 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.479 6.106 -9.499 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.168 5.208 -7.995 1.00 0.00 H new ATOM 1248 N LEU C 36 5.566 5.884 -5.791 1.00 0.00 N ATOM 1249 CA LEU C 36 6.988 5.690 -5.544 1.00 0.00 C ATOM 1250 C LEU C 36 7.288 4.244 -5.171 1.00 0.00 C ATOM 1251 O LEU C 36 8.254 3.657 -5.654 1.00 0.00 O ATOM 1252 CB LEU C 36 7.444 6.612 -4.410 1.00 0.00 C ATOM 1253 CG LEU C 36 7.593 8.058 -4.923 1.00 0.00 C ATOM 1254 CD1 LEU C 36 7.927 8.991 -3.742 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.704 8.145 -6.002 1.00 0.00 C ATOM 0 H LEU C 36 5.107 6.541 -5.160 1.00 0.00 H new ATOM 0 HA LEU C 36 7.528 5.930 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.722 6.581 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU C 36 8.395 6.262 -4.008 1.00 0.00 H new ATOM 0 HG LEU C 36 6.652 8.369 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.032 10.013 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU C 36 7.124 8.948 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.861 8.672 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU C 36 8.793 9.174 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU C 36 9.653 7.824 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.448 7.498 -6.841 1.00 0.00 H new ATOM 1267 N HIS C 37 6.459 3.675 -4.315 1.00 0.00 N ATOM 1268 CA HIS C 37 6.655 2.299 -3.886 1.00 0.00 C ATOM 1269 C HIS C 37 6.474 1.339 -5.053 1.00 0.00 C ATOM 1270 O HIS C 37 7.228 0.378 -5.201 1.00 0.00 O ATOM 1271 CB HIS C 37 5.664 1.957 -2.781 1.00 0.00 C ATOM 1272 CG HIS C 37 5.916 0.557 -2.305 1.00 0.00 C ATOM 1273 ND1 HIS C 37 5.844 -0.655 -2.944 1.00 0.00 N flip ATOM 1274 CD2 HIS C 37 6.305 0.277 -1.005 1.00 0.00 C flip ATOM 1275 CE1 HIS C 37 6.181 -1.673 -2.058 1.00 0.00 C flip ATOM 1276 NE2 HIS C 37 6.452 -1.056 -0.905 1.00 0.00 N flip ATOM 0 H HIS C 37 5.649 4.139 -3.905 1.00 0.00 H new ATOM 0 HA HIS C 37 7.672 2.197 -3.508 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.768 2.659 -1.954 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.643 2.049 -3.151 1.00 0.00 H new ATOM 0 HD2 HIS C 37 6.462 0.998 -0.216 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.216 -2.734 -2.259 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.736 -1.537 -0.052 1.00 0.00 H new ATOM 1284 N LEU C 38 5.462 1.597 -5.871 1.00 0.00 N ATOM 1285 CA LEU C 38 5.182 0.738 -7.015 1.00 0.00 C ATOM 1286 C LEU C 38 6.351 0.741 -7.995 1.00 0.00 C ATOM 1287 O LEU C 38 6.698 -0.295 -8.548 1.00 0.00 O ATOM 1288 CB LEU C 38 3.890 1.211 -7.726 1.00 0.00 C ATOM 1289 CG LEU C 38 2.738 0.247 -7.412 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.412 0.900 -7.797 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.935 -1.079 -8.188 1.00 0.00 C ATOM 0 H LEU C 38 4.826 2.387 -5.766 1.00 0.00 H new ATOM 0 HA LEU C 38 5.041 -0.281 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.632 2.218 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU C 38 4.053 1.258 -8.803 1.00 0.00 H new ATOM 0 HG LEU C 38 2.727 0.025 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.592 0.217 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.281 1.821 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.415 1.129 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU C 38 2.114 -1.759 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.952 -0.875 -9.259 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.878 -1.537 -7.891 1.00 0.00 H new ATOM 1303 N ILE C 39 6.943 1.902 -8.209 1.00 0.00 N ATOM 1304 CA ILE C 39 8.057 2.003 -9.137 1.00 0.00 C ATOM 1305 C ILE C 39 9.225 1.137 -8.668 1.00 0.00 C ATOM 1306 O ILE C 39 9.837 0.427 -9.458 1.00 0.00 O ATOM 1307 CB ILE C 39 8.503 3.463 -9.240 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.431 4.277 -9.970 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.824 3.556 -10.009 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.699 5.772 -9.768 1.00 0.00 C ATOM 0 H ILE C 39 6.676 2.778 -7.760 1.00 0.00 H new ATOM 0 HA ILE C 39 7.734 1.649 -10.116 1.00 0.00 H new ATOM 0 HB ILE C 39 8.645 3.862 -8.236 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.437 4.036 -11.033 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.442 4.019 -9.590 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.133 4.599 -10.077 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.590 2.984 -9.486 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.690 3.151 -11.012 1.00 0.00 H new ATOM 0 HD11 ILE C 39 6.936 6.352 -10.288 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.671 6.006 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.681 6.023 -10.169 1.00 0.00 H new ATOM 1322 N LEU C 40 9.530 1.201 -7.388 1.00 0.00 N ATOM 1323 CA LEU C 40 10.622 0.406 -6.839 1.00 0.00 C ATOM 1324 C LEU C 40 10.227 -1.066 -6.724 1.00 0.00 C ATOM 1325 O LEU C 40 11.023 -1.961 -7.017 1.00 0.00 O ATOM 1326 CB LEU C 40 11.015 0.944 -5.473 1.00 0.00 C ATOM 1327 CG LEU C 40 11.312 2.444 -5.583 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.612 3.004 -4.191 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.522 2.677 -6.507 1.00 0.00 C ATOM 0 H LEU C 40 9.045 1.788 -6.709 1.00 0.00 H new ATOM 0 HA LEU C 40 11.472 0.478 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.211 0.773 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.892 0.415 -5.100 1.00 0.00 H new ATOM 0 HG LEU C 40 10.444 2.952 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.824 4.071 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.749 2.850 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.477 2.491 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU C 40 12.725 3.746 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.395 2.169 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.304 2.282 -7.499 1.00 0.00 H new ATOM 1341 N TRP C 41 9.003 -1.304 -6.275 1.00 0.00 N ATOM 1342 CA TRP C 41 8.514 -2.665 -6.097 1.00 0.00 C ATOM 1343 C TRP C 41 8.330 -3.381 -7.431 1.00 0.00 C ATOM 1344 O TRP C 41 8.742 -4.531 -7.589 1.00 0.00 O ATOM 1345 CB TRP C 41 7.191 -2.650 -5.320 1.00 0.00 C ATOM 1346 CG TRP C 41 6.597 -4.024 -5.316 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.938 -5.020 -4.469 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.522 -4.547 -6.151 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.186 -6.139 -4.771 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.290 -5.892 -5.788 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.744 -3.997 -7.184 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.323 -6.661 -6.426 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.759 -4.771 -7.820 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.554 -6.098 -7.442 1.00 0.00 C ATOM 0 H TRP C 41 8.332 -0.576 -6.028 1.00 0.00 H new ATOM 0 HA TRP C 41 9.264 -3.215 -5.529 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.362 -2.313 -4.297 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.497 -1.944 -5.776 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.677 -4.952 -3.685 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.282 -7.038 -4.299 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.904 -2.974 -7.491 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.169 -7.690 -6.135 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.158 -4.337 -8.605 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.798 -6.690 -7.938 1.00 0.00 H new ATOM 1365 N ILE C 42 7.703 -2.708 -8.377 1.00 0.00 N ATOM 1366 CA ILE C 42 7.458 -3.304 -9.677 1.00 0.00 C ATOM 1367 C ILE C 42 8.779 -3.647 -10.356 1.00 0.00 C ATOM 1368 O ILE C 42 8.894 -4.672 -11.027 1.00 0.00 O ATOM 1369 CB ILE C 42 6.660 -2.328 -10.554 1.00 0.00 C ATOM 1370 CG1 ILE C 42 6.125 -3.059 -11.786 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.563 -1.168 -11.004 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.144 -2.148 -12.527 1.00 0.00 C ATOM 0 H ILE C 42 7.356 -1.755 -8.271 1.00 0.00 H new ATOM 0 HA ILE C 42 6.883 -4.220 -9.543 1.00 0.00 H new ATOM 0 HB ILE C 42 5.826 -1.933 -9.973 1.00 0.00 H new ATOM 0 HG12 ILE C 42 6.948 -3.338 -12.444 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.628 -3.982 -11.488 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.989 -0.480 -11.626 1.00 0.00 H new ATOM 0 HG22 ILE C 42 7.939 -0.638 -10.128 1.00 0.00 H new ATOM 0 HG23 ILE C 42 8.402 -1.562 -11.578 1.00 0.00 H new ATOM 0 HD11 ILE C 42 4.760 -2.665 -13.406 1.00 0.00 H new ATOM 0 HD12 ILE C 42 4.316 -1.891 -11.866 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.656 -1.237 -12.837 1.00 0.00 H new ATOM 1384 N LEU C 43 9.771 -2.779 -10.189 1.00 0.00 N ATOM 1385 CA LEU C 43 11.067 -3.002 -10.809 1.00 0.00 C ATOM 1386 C LEU C 43 11.687 -4.296 -10.270 1.00 0.00 C ATOM 1387 O LEU C 43 12.267 -5.084 -11.016 1.00 0.00 O ATOM 1388 CB LEU C 43 11.999 -1.808 -10.520 1.00 0.00 C ATOM 1389 CG LEU C 43 13.002 -1.625 -11.664 1.00 0.00 C ATOM 1390 CD1 LEU C 43 13.917 -0.439 -11.355 1.00 0.00 C ATOM 1391 CD2 LEU C 43 13.835 -2.900 -11.847 1.00 0.00 C ATOM 0 H LEU C 43 9.702 -1.925 -9.636 1.00 0.00 H new ATOM 0 HA LEU C 43 10.936 -3.095 -11.887 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.409 -0.900 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU C 43 12.532 -1.973 -9.583 1.00 0.00 H new ATOM 0 HG LEU C 43 12.459 -1.430 -12.589 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.631 -0.308 -12.168 1.00 0.00 H new ATOM 0 HD12 LEU C 43 13.318 0.465 -11.250 1.00 0.00 H new ATOM 0 HD13 LEU C 43 14.456 -0.627 -10.426 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.544 -2.758 -12.663 1.00 0.00 H new ATOM 0 HD22 LEU C 43 14.379 -3.115 -10.927 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.175 -3.735 -12.082 1.00 0.00 H new ATOM 1403 N ASP C 44 11.556 -4.509 -8.968 1.00 0.00 N ATOM 1404 CA ASP C 44 12.117 -5.702 -8.347 1.00 0.00 C ATOM 1405 C ASP C 44 11.523 -6.957 -8.972 1.00 0.00 C ATOM 1406 O ASP C 44 12.234 -7.928 -9.233 1.00 0.00 O ATOM 1407 CB ASP C 44 11.828 -5.692 -6.846 1.00 0.00 C ATOM 1408 CG ASP C 44 12.690 -4.644 -6.150 1.00 0.00 C ATOM 1409 OD1 ASP C 44 13.658 -4.208 -6.753 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.372 -4.297 -5.026 1.00 0.00 O ATOM 0 H ASP C 44 11.072 -3.880 -8.327 1.00 0.00 H new ATOM 0 HA ASP C 44 13.195 -5.703 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP C 44 10.773 -5.479 -6.673 1.00 0.00 H new ATOM 0 HB3 ASP C 44 12.028 -6.677 -6.423 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.710 7.971 8.663 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.869 8.717 7.734 1.00 0.00 C ATOM 1630 C VAL D 27 -5.425 8.751 8.225 1.00 0.00 C ATOM 1631 O VAL D 27 -4.488 8.516 7.458 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.400 10.145 7.582 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -6.440 10.959 6.712 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.781 10.110 6.922 1.00 0.00 C ATOM 0 HA VAL D 27 -6.895 8.217 6.766 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.479 10.608 8.566 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.819 11.975 6.605 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -5.457 10.986 7.182 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -6.359 10.496 5.728 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -9.159 11.127 6.814 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.703 9.646 5.939 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -9.466 9.533 7.542 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.255 9.047 9.509 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.925 9.117 10.097 1.00 0.00 C ATOM 1646 C VAL D 28 -3.245 7.753 10.044 1.00 0.00 C ATOM 1647 O VAL D 28 -2.069 7.648 9.697 1.00 0.00 O ATOM 1648 CB VAL D 28 -4.016 9.593 11.551 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.637 9.501 12.212 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.501 11.045 11.584 1.00 0.00 C ATOM 0 H VAL D 28 -6.017 9.241 10.158 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.332 9.828 9.523 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.719 8.961 12.093 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.706 9.840 13.246 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.292 8.467 12.192 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.931 10.130 11.670 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.566 11.384 12.618 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.799 11.676 11.039 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.484 11.111 11.118 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.992 6.714 10.394 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.448 5.363 10.385 1.00 0.00 C ATOM 1662 C ALA D 29 -2.997 4.975 8.982 1.00 0.00 C ATOM 1663 O ALA D 29 -1.944 4.369 8.808 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.508 4.370 10.871 1.00 0.00 C ATOM 0 H ALA D 29 -4.967 6.779 10.685 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.587 5.335 11.053 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.094 3.362 10.861 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.811 4.628 11.886 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.375 4.412 10.212 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.796 5.330 7.985 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.459 5.003 6.605 1.00 0.00 C ATOM 1672 C ALA D 30 -2.063 5.505 6.258 1.00 0.00 C ATOM 1673 O ALA D 30 -1.236 4.759 5.733 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.480 5.638 5.662 1.00 0.00 C ATOM 0 H ALA D 30 -4.672 5.839 8.102 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.478 3.919 6.491 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.225 5.392 4.631 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.474 5.255 5.892 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.469 6.720 5.790 1.00 0.00 H new ATOM 1680 N SER D 31 -1.804 6.772 6.557 1.00 0.00 N ATOM 1681 CA SER D 31 -0.497 7.360 6.277 1.00 0.00 C ATOM 1682 C SER D 31 0.595 6.657 7.075 1.00 0.00 C ATOM 1683 O SER D 31 1.669 6.370 6.555 1.00 0.00 O ATOM 1684 CB SER D 31 -0.507 8.846 6.620 1.00 0.00 C ATOM 1685 OG SER D 31 0.830 9.321 6.675 1.00 0.00 O ATOM 0 H SER D 31 -2.474 7.408 6.989 1.00 0.00 H new ATOM 0 HA SER D 31 -0.288 7.235 5.215 1.00 0.00 H new ATOM 0 HB2 SER D 31 -1.072 9.401 5.871 1.00 0.00 H new ATOM 0 HB3 SER D 31 -1.003 9.007 7.577 1.00 0.00 H new ATOM 0 HG SER D 31 0.829 10.276 6.894 1.00 0.00 H new ATOM 1691 N ILE D 32 0.308 6.384 8.344 1.00 0.00 N ATOM 1692 CA ILE D 32 1.273 5.719 9.217 1.00 0.00 C ATOM 1693 C ILE D 32 1.608 4.326 8.693 1.00 0.00 C ATOM 1694 O ILE D 32 2.767 3.911 8.711 1.00 0.00 O ATOM 1695 CB ILE D 32 0.717 5.618 10.642 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.633 7.015 11.256 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.637 4.738 11.492 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.135 6.945 12.577 1.00 0.00 C ATOM 0 H ILE D 32 -0.580 6.611 8.791 1.00 0.00 H new ATOM 0 HA ILE D 32 2.186 6.314 9.230 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.278 5.174 10.612 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.635 7.410 11.426 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.133 7.697 10.568 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.240 4.668 12.505 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.693 3.741 11.054 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.634 5.177 11.523 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.196 7.941 13.016 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.141 6.568 12.393 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.383 6.277 13.264 1.00 0.00 H new ATOM 1710 N ILE D 33 0.595 3.610 8.236 1.00 0.00 N ATOM 1711 CA ILE D 33 0.803 2.263 7.720 1.00 0.00 C ATOM 1712 C ILE D 33 1.790 2.277 6.557 1.00 0.00 C ATOM 1713 O ILE D 33 2.665 1.417 6.470 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.534 1.680 7.247 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.419 1.357 8.455 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.299 0.403 6.432 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -2.865 1.134 7.994 1.00 0.00 C ATOM 0 H ILE D 33 -0.372 3.933 8.210 1.00 0.00 H new ATOM 0 HA ILE D 33 1.213 1.646 8.520 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.032 2.418 6.618 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.048 0.466 8.962 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.379 2.174 9.176 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.257 0.000 6.103 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.316 0.635 5.562 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.212 -0.335 7.051 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.491 0.905 8.857 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.235 2.036 7.507 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -2.898 0.302 7.290 1.00 0.00 H new ATOM 1729 N GLY D 34 1.639 3.242 5.665 1.00 0.00 N ATOM 1730 CA GLY D 34 2.523 3.331 4.513 1.00 0.00 C ATOM 1731 C GLY D 34 3.976 3.503 4.943 1.00 0.00 C ATOM 1732 O GLY D 34 4.856 2.789 4.470 1.00 0.00 O ATOM 0 H GLY D 34 0.923 3.966 5.714 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.425 2.431 3.906 1.00 0.00 H new ATOM 0 HA3 GLY D 34 2.225 4.172 3.887 1.00 0.00 H new ATOM 1736 N ILE D 35 4.219 4.457 5.836 1.00 0.00 N ATOM 1737 CA ILE D 35 5.577 4.714 6.310 1.00 0.00 C ATOM 1738 C ILE D 35 6.136 3.512 7.057 1.00 0.00 C ATOM 1739 O ILE D 35 7.261 3.093 6.817 1.00 0.00 O ATOM 1740 CB ILE D 35 5.585 5.931 7.234 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.939 7.124 6.517 1.00 0.00 C ATOM 1742 CG2 ILE D 35 7.020 6.285 7.624 1.00 0.00 C ATOM 1743 CD1 ILE D 35 5.649 7.421 5.187 1.00 0.00 C ATOM 0 H ILE D 35 3.504 5.059 6.243 1.00 0.00 H new ATOM 0 HA ILE D 35 6.205 4.905 5.440 1.00 0.00 H new ATOM 0 HB ILE D 35 5.019 5.696 8.136 1.00 0.00 H new ATOM 0 HG12 ILE D 35 3.886 6.914 6.331 1.00 0.00 H new ATOM 0 HG13 ILE D 35 4.980 8.004 7.159 1.00 0.00 H new ATOM 0 HG21 ILE D 35 7.014 7.154 8.282 1.00 0.00 H new ATOM 0 HG22 ILE D 35 7.475 5.440 8.141 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.595 6.514 6.727 1.00 0.00 H new ATOM 0 HD11 ILE D 35 5.170 8.271 4.701 1.00 0.00 H new ATOM 0 HD12 ILE D 35 6.696 7.655 5.378 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.585 6.548 4.537 1.00 0.00 H new ATOM 1755 N LEU D 36 5.350 2.967 7.970 1.00 0.00 N ATOM 1756 CA LEU D 36 5.800 1.825 8.753 1.00 0.00 C ATOM 1757 C LEU D 36 6.090 0.625 7.858 1.00 0.00 C ATOM 1758 O LEU D 36 7.096 -0.059 8.030 1.00 0.00 O ATOM 1759 CB LEU D 36 4.729 1.448 9.779 1.00 0.00 C ATOM 1760 CG LEU D 36 4.747 2.440 10.959 1.00 0.00 C ATOM 1761 CD1 LEU D 36 3.580 2.123 11.915 1.00 0.00 C ATOM 1762 CD2 LEU D 36 6.097 2.363 11.719 1.00 0.00 C ATOM 0 H LEU D 36 4.407 3.291 8.187 1.00 0.00 H new ATOM 0 HA LEU D 36 6.721 2.105 9.264 1.00 0.00 H new ATOM 0 HB2 LEU D 36 3.746 1.451 9.307 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.905 0.436 10.143 1.00 0.00 H new ATOM 0 HG LEU D 36 4.633 3.452 10.571 1.00 0.00 H new ATOM 0 HD11 LEU D 36 3.592 2.824 12.749 1.00 0.00 H new ATOM 0 HD12 LEU D 36 2.635 2.214 11.379 1.00 0.00 H new ATOM 0 HD13 LEU D 36 3.686 1.106 12.294 1.00 0.00 H new ATOM 0 HD21 LEU D 36 6.089 3.071 12.548 1.00 0.00 H new ATOM 0 HD22 LEU D 36 6.240 1.354 12.105 1.00 0.00 H new ATOM 0 HD23 LEU D 36 6.912 2.610 11.039 1.00 0.00 H new ATOM 1774 N HIS D 37 5.205 0.374 6.910 1.00 0.00 N ATOM 1775 CA HIS D 37 5.380 -0.751 6.004 1.00 0.00 C ATOM 1776 C HIS D 37 6.607 -0.551 5.126 1.00 0.00 C ATOM 1777 O HIS D 37 7.363 -1.489 4.882 1.00 0.00 O ATOM 1778 CB HIS D 37 4.142 -0.903 5.129 1.00 0.00 C ATOM 1779 CG HIS D 37 4.307 -2.102 4.239 1.00 0.00 C ATOM 1780 ND1 HIS D 37 5.218 -2.391 3.254 1.00 0.00 N flip ATOM 1781 CD2 HIS D 37 3.469 -3.201 4.313 1.00 0.00 C flip ATOM 1782 CE1 HIS D 37 4.949 -3.648 2.722 1.00 0.00 C flip ATOM 1783 NE2 HIS D 37 3.888 -4.094 3.398 1.00 0.00 N flip ATOM 0 H HIS D 37 4.364 0.928 6.747 1.00 0.00 H new ATOM 0 HA HIS D 37 5.522 -1.654 6.597 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.255 -1.017 5.751 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.996 -0.006 4.527 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.631 -3.320 4.984 1.00 0.00 H new ATOM 0 HE1 HIS D 37 5.484 -4.154 1.932 1.00 0.00 H new ATOM 0 HE2 HIS D 37 3.449 -5.001 3.240 1.00 0.00 H new ATOM 1791 N LEU D 38 6.789 0.670 4.643 1.00 0.00 N ATOM 1792 CA LEU D 38 7.921 0.976 3.779 1.00 0.00 C ATOM 1793 C LEU D 38 9.238 0.760 4.515 1.00 0.00 C ATOM 1794 O LEU D 38 10.192 0.251 3.940 1.00 0.00 O ATOM 1795 CB LEU D 38 7.823 2.438 3.278 1.00 0.00 C ATOM 1796 CG LEU D 38 7.385 2.461 1.809 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.935 3.874 1.435 1.00 0.00 C ATOM 1798 CD2 LEU D 38 8.557 2.009 0.902 1.00 0.00 C ATOM 0 H LEU D 38 6.172 1.460 4.833 1.00 0.00 H new ATOM 0 HA LEU D 38 7.894 0.302 2.923 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.110 2.993 3.887 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.788 2.934 3.386 1.00 0.00 H new ATOM 0 HG LEU D 38 6.552 1.773 1.666 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.623 3.892 0.391 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.099 4.169 2.069 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.762 4.569 1.579 1.00 0.00 H new ATOM 0 HD21 LEU D 38 8.239 2.028 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU D 38 9.402 2.685 1.036 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.856 0.996 1.172 1.00 0.00 H new ATOM 1810 N ILE D 39 9.284 1.151 5.775 1.00 0.00 N ATOM 1811 CA ILE D 39 10.505 0.996 6.552 1.00 0.00 C ATOM 1812 C ILE D 39 10.885 -0.479 6.665 1.00 0.00 C ATOM 1813 O ILE D 39 12.043 -0.844 6.504 1.00 0.00 O ATOM 1814 CB ILE D 39 10.298 1.588 7.948 1.00 0.00 C ATOM 1815 CG1 ILE D 39 10.197 3.114 7.850 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.472 1.211 8.856 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.644 3.673 9.162 1.00 0.00 C ATOM 0 H ILE D 39 8.504 1.573 6.279 1.00 0.00 H new ATOM 0 HA ILE D 39 11.314 1.523 6.047 1.00 0.00 H new ATOM 0 HB ILE D 39 9.376 1.188 8.370 1.00 0.00 H new ATOM 0 HG12 ILE D 39 11.178 3.542 7.645 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.548 3.394 7.021 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.316 1.636 9.847 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.538 0.126 8.933 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.398 1.602 8.435 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.572 4.758 9.093 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.655 3.255 9.348 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.311 3.405 9.981 1.00 0.00 H new ATOM 1829 N LEU D 40 9.908 -1.319 6.947 1.00 0.00 N ATOM 1830 CA LEU D 40 10.166 -2.750 7.067 1.00 0.00 C ATOM 1831 C LEU D 40 10.386 -3.387 5.699 1.00 0.00 C ATOM 1832 O LEU D 40 11.262 -4.236 5.525 1.00 0.00 O ATOM 1833 CB LEU D 40 8.998 -3.426 7.771 1.00 0.00 C ATOM 1834 CG LEU D 40 8.723 -2.713 9.100 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.486 -3.329 9.758 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.934 -2.856 10.040 1.00 0.00 C ATOM 0 H LEU D 40 8.937 -1.045 7.097 1.00 0.00 H new ATOM 0 HA LEU D 40 11.074 -2.885 7.654 1.00 0.00 H new ATOM 0 HB2 LEU D 40 8.111 -3.395 7.139 1.00 0.00 H new ATOM 0 HB3 LEU D 40 9.226 -4.477 7.950 1.00 0.00 H new ATOM 0 HG LEU D 40 8.549 -1.654 8.909 1.00 0.00 H new ATOM 0 HD11 LEU D 40 7.287 -2.824 10.704 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.627 -3.213 9.097 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.662 -4.389 9.942 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.727 -2.346 10.981 1.00 0.00 H new ATOM 0 HD22 LEU D 40 10.121 -3.912 10.234 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.812 -2.412 9.572 1.00 0.00 H new ATOM 1848 N TRP D 41 9.567 -2.985 4.735 1.00 0.00 N ATOM 1849 CA TRP D 41 9.659 -3.535 3.388 1.00 0.00 C ATOM 1850 C TRP D 41 10.946 -3.109 2.687 1.00 0.00 C ATOM 1851 O TRP D 41 11.629 -3.930 2.075 1.00 0.00 O ATOM 1852 CB TRP D 41 8.441 -3.101 2.561 1.00 0.00 C ATOM 1853 CG TRP D 41 8.638 -3.501 1.132 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.390 -4.728 0.624 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.064 -2.671 0.011 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.697 -4.722 -0.725 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.102 -3.474 -1.149 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.431 -1.320 -0.108 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.486 -2.956 -2.379 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.809 -0.794 -1.353 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.839 -1.612 -2.483 1.00 0.00 C ATOM 0 H TRP D 41 8.836 -2.285 4.859 1.00 0.00 H new ATOM 0 HA TRP D 41 9.674 -4.622 3.474 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.536 -3.562 2.957 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.306 -2.022 2.632 1.00 0.00 H new ATOM 0 HD1 TRP D 41 8.014 -5.574 1.180 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.632 -5.540 -1.331 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.422 -0.683 0.764 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.511 -3.592 -3.251 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.078 0.249 -1.437 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.136 -1.204 -3.438 1.00 0.00 H new ATOM 1872 N ILE D 42 11.260 -1.831 2.766 1.00 0.00 N ATOM 1873 CA ILE D 42 12.454 -1.317 2.118 1.00 0.00 C ATOM 1874 C ILE D 42 13.696 -1.984 2.696 1.00 0.00 C ATOM 1875 O ILE D 42 14.648 -2.274 1.973 1.00 0.00 O ATOM 1876 CB ILE D 42 12.540 0.204 2.318 1.00 0.00 C ATOM 1877 CG1 ILE D 42 13.595 0.789 1.379 1.00 0.00 C ATOM 1878 CG2 ILE D 42 12.922 0.522 3.771 1.00 0.00 C ATOM 1879 CD1 ILE D 42 13.510 2.316 1.413 1.00 0.00 C ATOM 0 H ILE D 42 10.711 -1.133 3.268 1.00 0.00 H new ATOM 0 HA ILE D 42 12.399 -1.538 1.052 1.00 0.00 H new ATOM 0 HB ILE D 42 11.568 0.645 2.096 1.00 0.00 H new ATOM 0 HG12 ILE D 42 14.590 0.462 1.682 1.00 0.00 H new ATOM 0 HG13 ILE D 42 13.436 0.427 0.363 1.00 0.00 H new ATOM 0 HG21 ILE D 42 12.981 1.602 3.904 1.00 0.00 H new ATOM 0 HG22 ILE D 42 12.167 0.114 4.443 1.00 0.00 H new ATOM 0 HG23 ILE D 42 13.890 0.075 3.999 1.00 0.00 H new ATOM 0 HD11 ILE D 42 14.261 2.737 0.745 1.00 0.00 H new ATOM 0 HD12 ILE D 42 12.518 2.632 1.090 1.00 0.00 H new ATOM 0 HD13 ILE D 42 13.690 2.668 2.429 1.00 0.00 H new ATOM 1891 N LEU D 43 13.686 -2.215 4.005 1.00 0.00 N ATOM 1892 CA LEU D 43 14.829 -2.832 4.661 1.00 0.00 C ATOM 1893 C LEU D 43 15.060 -4.237 4.097 1.00 0.00 C ATOM 1894 O LEU D 43 16.194 -4.650 3.858 1.00 0.00 O ATOM 1895 CB LEU D 43 14.585 -2.904 6.182 1.00 0.00 C ATOM 1896 CG LEU D 43 15.914 -2.819 6.938 1.00 0.00 C ATOM 1897 CD1 LEU D 43 15.648 -2.895 8.443 1.00 0.00 C ATOM 1898 CD2 LEU D 43 16.843 -3.960 6.507 1.00 0.00 C ATOM 0 H LEU D 43 12.908 -1.987 4.624 1.00 0.00 H new ATOM 0 HA LEU D 43 15.716 -2.227 4.474 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.930 -2.089 6.491 1.00 0.00 H new ATOM 0 HB3 LEU D 43 14.076 -3.835 6.432 1.00 0.00 H new ATOM 0 HG LEU D 43 16.400 -1.872 6.705 1.00 0.00 H new ATOM 0 HD11 LEU D 43 16.593 -2.835 8.983 1.00 0.00 H new ATOM 0 HD12 LEU D 43 15.006 -2.066 8.741 1.00 0.00 H new ATOM 0 HD13 LEU D 43 15.155 -3.838 8.678 1.00 0.00 H new ATOM 0 HD21 LEU D 43 17.784 -3.888 7.052 1.00 0.00 H new ATOM 0 HD22 LEU D 43 16.369 -4.917 6.726 1.00 0.00 H new ATOM 0 HD23 LEU D 43 17.037 -3.887 5.437 1.00 0.00 H new ATOM 1910 N ASP D 44 13.973 -4.969 3.884 1.00 0.00 N ATOM 1911 CA ASP D 44 14.077 -6.324 3.360 1.00 0.00 C ATOM 1912 C ASP D 44 14.768 -6.318 2.003 1.00 0.00 C ATOM 1913 O ASP D 44 15.603 -7.176 1.718 1.00 0.00 O ATOM 1914 CB ASP D 44 12.681 -6.936 3.222 1.00 0.00 C ATOM 1915 CG ASP D 44 12.112 -7.265 4.598 1.00 0.00 C ATOM 1916 OD1 ASP D 44 12.882 -7.311 5.542 1.00 0.00 O ATOM 1917 OD2 ASP D 44 10.912 -7.469 4.687 1.00 0.00 O ATOM 0 H ASP D 44 13.020 -4.652 4.064 1.00 0.00 H new ATOM 0 HA ASP D 44 14.669 -6.921 4.054 1.00 0.00 H new ATOM 0 HB2 ASP D 44 12.021 -6.240 2.704 1.00 0.00 H new ATOM 0 HB3 ASP D 44 12.731 -7.840 2.615 1.00 0.00 H new