USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=4 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 : no HD1:sc= -8! C(o=-8!,f=-9!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -7.86! C(o=-7.9!,f=-8.9!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -7.28! C(o=-7.3!,f=-8.5!) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -7.57! C(o=-7.6!,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -12.820 4.940 0.941 1.00 0.00 N ATOM 108 CA VAL A 27 -11.802 5.229 1.948 1.00 0.00 C ATOM 109 C VAL A 27 -11.724 4.101 2.975 1.00 0.00 C ATOM 110 O VAL A 27 -10.638 3.717 3.412 1.00 0.00 O ATOM 111 CB VAL A 27 -12.118 6.556 2.650 1.00 0.00 C ATOM 112 CG1 VAL A 27 -12.422 7.628 1.598 1.00 0.00 C ATOM 113 CG2 VAL A 27 -13.329 6.382 3.568 1.00 0.00 C ATOM 0 HA VAL A 27 -10.837 5.310 1.449 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.258 6.862 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.647 8.572 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.556 7.757 0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.280 7.319 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.549 7.328 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.192 6.073 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.111 5.621 4.318 1.00 0.00 H new ATOM 123 N VAL A 28 -12.885 3.579 3.353 1.00 0.00 N ATOM 124 CA VAL A 28 -12.944 2.500 4.331 1.00 0.00 C ATOM 125 C VAL A 28 -12.196 1.274 3.813 1.00 0.00 C ATOM 126 O VAL A 28 -11.435 0.646 4.546 1.00 0.00 O ATOM 127 CB VAL A 28 -14.403 2.133 4.613 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.458 0.917 5.542 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.102 3.319 5.284 1.00 0.00 C ATOM 0 H VAL A 28 -13.792 3.883 3.000 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.472 2.838 5.254 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.905 1.893 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.498 0.658 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.958 0.073 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.957 1.153 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.142 3.062 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.598 3.556 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.065 4.185 4.623 1.00 0.00 H new ATOM 139 N ALA A 29 -12.420 0.942 2.547 1.00 0.00 N ATOM 140 CA ALA A 29 -11.760 -0.209 1.947 1.00 0.00 C ATOM 141 C ALA A 29 -10.247 -0.018 1.949 1.00 0.00 C ATOM 142 O ALA A 29 -9.495 -0.963 2.175 1.00 0.00 O ATOM 143 CB ALA A 29 -12.247 -0.401 0.510 1.00 0.00 C ATOM 0 H ALA A 29 -13.047 1.448 1.922 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.007 -1.093 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.748 -1.264 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.325 -0.565 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.016 0.490 -0.075 1.00 0.00 H new ATOM 149 N ALA A 30 -9.807 1.210 1.701 1.00 0.00 N ATOM 150 CA ALA A 30 -8.379 1.503 1.678 1.00 0.00 C ATOM 151 C ALA A 30 -7.724 1.072 2.985 1.00 0.00 C ATOM 152 O ALA A 30 -6.686 0.410 2.981 1.00 0.00 O ATOM 153 CB ALA A 30 -8.156 3.000 1.462 1.00 0.00 C ATOM 0 H ALA A 30 -10.411 2.011 1.515 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.926 0.947 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.087 3.210 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.599 3.301 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.623 3.558 2.273 1.00 0.00 H new ATOM 159 N SER A 31 -8.338 1.446 4.102 1.00 0.00 N ATOM 160 CA SER A 31 -7.803 1.083 5.410 1.00 0.00 C ATOM 161 C SER A 31 -7.754 -0.436 5.565 1.00 0.00 C ATOM 162 O SER A 31 -6.776 -0.988 6.071 1.00 0.00 O ATOM 163 CB SER A 31 -8.674 1.683 6.514 1.00 0.00 C ATOM 164 OG SER A 31 -8.653 3.100 6.409 1.00 0.00 O ATOM 0 H SER A 31 -9.198 1.995 4.130 1.00 0.00 H new ATOM 0 HA SER A 31 -6.791 1.478 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.696 1.315 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.306 1.374 7.492 1.00 0.00 H new ATOM 0 HG SER A 31 -9.212 3.489 7.114 1.00 0.00 H new ATOM 170 N ILE A 32 -8.815 -1.106 5.122 1.00 0.00 N ATOM 171 CA ILE A 32 -8.888 -2.562 5.212 1.00 0.00 C ATOM 172 C ILE A 32 -7.800 -3.204 4.356 1.00 0.00 C ATOM 173 O ILE A 32 -7.163 -4.171 4.772 1.00 0.00 O ATOM 174 CB ILE A 32 -10.266 -3.052 4.758 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.325 -2.590 5.763 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.272 -4.584 4.692 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.722 -2.829 5.183 1.00 0.00 C ATOM 0 H ILE A 32 -9.633 -0.667 4.699 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.733 -2.852 6.251 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.487 -2.643 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.212 -3.133 6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.190 -1.532 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.254 -4.930 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.516 -4.921 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.050 -4.992 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.475 -2.500 5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.832 -2.266 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.855 -3.892 4.980 1.00 0.00 H new ATOM 189 N ILE A 33 -7.599 -2.667 3.160 1.00 0.00 N ATOM 190 CA ILE A 33 -6.591 -3.204 2.251 1.00 0.00 C ATOM 191 C ILE A 33 -5.199 -3.105 2.869 1.00 0.00 C ATOM 192 O ILE A 33 -4.413 -4.048 2.795 1.00 0.00 O ATOM 193 CB ILE A 33 -6.623 -2.425 0.928 1.00 0.00 C ATOM 194 CG1 ILE A 33 -7.909 -2.758 0.166 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.407 -2.791 0.065 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.099 -1.752 -0.973 1.00 0.00 C ATOM 0 H ILE A 33 -8.115 -1.866 2.797 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.815 -4.254 2.065 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.593 -1.358 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.856 -3.771 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.764 -2.726 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.443 -2.231 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.492 -2.542 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.422 -3.859 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.014 -1.987 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.170 -0.745 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.249 -1.807 -1.653 1.00 0.00 H new ATOM 208 N GLY A 34 -4.895 -1.963 3.470 1.00 0.00 N ATOM 209 CA GLY A 34 -3.588 -1.778 4.082 1.00 0.00 C ATOM 210 C GLY A 34 -3.368 -2.766 5.221 1.00 0.00 C ATOM 211 O GLY A 34 -2.361 -3.472 5.258 1.00 0.00 O ATOM 0 H GLY A 34 -5.524 -1.164 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.810 -1.907 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.501 -0.759 4.459 1.00 0.00 H new ATOM 215 N ILE A 35 -4.315 -2.813 6.155 1.00 0.00 N ATOM 216 CA ILE A 35 -4.205 -3.723 7.292 1.00 0.00 C ATOM 217 C ILE A 35 -4.279 -5.182 6.840 1.00 0.00 C ATOM 218 O ILE A 35 -3.505 -6.020 7.298 1.00 0.00 O ATOM 219 CB ILE A 35 -5.326 -3.436 8.296 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.110 -2.052 8.913 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.307 -4.491 9.407 1.00 0.00 C ATOM 222 CD1 ILE A 35 -6.359 -1.642 9.693 1.00 0.00 C ATOM 0 H ILE A 35 -5.158 -2.239 6.148 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.237 -3.560 7.766 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.287 -3.467 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.244 -2.068 9.575 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.900 -1.322 8.131 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.106 -4.284 10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.456 -5.480 8.973 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.346 -4.461 9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.206 -0.656 10.133 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.215 -1.610 9.019 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.548 -2.367 10.485 1.00 0.00 H new ATOM 234 N LEU A 36 -5.225 -5.480 5.951 1.00 0.00 N ATOM 235 CA LEU A 36 -5.400 -6.847 5.460 1.00 0.00 C ATOM 236 C LEU A 36 -4.159 -7.321 4.715 1.00 0.00 C ATOM 237 O LEU A 36 -3.668 -8.430 4.935 1.00 0.00 O ATOM 238 CB LEU A 36 -6.613 -6.909 4.522 1.00 0.00 C ATOM 239 CG LEU A 36 -6.810 -8.337 3.985 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.030 -9.318 5.150 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.030 -8.354 3.059 1.00 0.00 C ATOM 0 H LEU A 36 -5.877 -4.801 5.559 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.561 -7.500 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.508 -6.588 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.472 -6.218 3.691 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.920 -8.644 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.168 -10.325 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.161 -9.302 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.916 -9.023 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.179 -9.362 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.914 -8.045 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.866 -7.667 2.228 1.00 0.00 H new ATOM 253 N HIS A 37 -3.655 -6.470 3.832 1.00 0.00 N ATOM 254 CA HIS A 37 -2.474 -6.810 3.060 1.00 0.00 C ATOM 255 C HIS A 37 -1.301 -7.083 3.988 1.00 0.00 C ATOM 256 O HIS A 37 -0.517 -8.003 3.758 1.00 0.00 O ATOM 257 CB HIS A 37 -2.120 -5.673 2.107 1.00 0.00 C ATOM 258 CG HIS A 37 -0.903 -6.060 1.318 1.00 0.00 C ATOM 259 ND1 HIS A 37 -0.937 -6.231 -0.052 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.383 -6.335 1.698 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.296 -6.594 -0.447 1.00 0.00 C ATOM 262 NE2 HIS A 37 1.142 -6.670 0.582 1.00 0.00 N ATOM 0 H HIS A 37 -4.043 -5.548 3.635 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.687 -7.708 2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.955 -5.470 1.436 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.931 -4.757 2.667 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.753 -6.297 2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.568 -6.799 -1.472 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.131 -6.920 0.556 1.00 0.00 H new ATOM 270 N LEU A 38 -1.183 -6.275 5.034 1.00 0.00 N ATOM 271 CA LEU A 38 -0.092 -6.433 5.986 1.00 0.00 C ATOM 272 C LEU A 38 -0.152 -7.791 6.669 1.00 0.00 C ATOM 273 O LEU A 38 0.873 -8.420 6.895 1.00 0.00 O ATOM 274 CB LEU A 38 -0.137 -5.313 7.042 1.00 0.00 C ATOM 275 CG LEU A 38 0.629 -4.069 6.552 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.321 -2.881 7.479 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.152 -4.344 6.549 1.00 0.00 C ATOM 0 H LEU A 38 -1.824 -5.510 5.243 1.00 0.00 H new ATOM 0 HA LEU A 38 0.846 -6.368 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.173 -5.048 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.298 -5.669 7.976 1.00 0.00 H new ATOM 0 HG LEU A 38 0.312 -3.834 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.862 -2.000 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.750 -2.677 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.632 -3.122 8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.681 -3.457 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.480 -4.589 7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.369 -5.180 5.885 1.00 0.00 H new ATOM 289 N ILE A 39 -1.343 -8.246 7.007 1.00 0.00 N ATOM 290 CA ILE A 39 -1.459 -9.533 7.674 1.00 0.00 C ATOM 291 C ILE A 39 -0.865 -10.635 6.801 1.00 0.00 C ATOM 292 O ILE A 39 -0.059 -11.436 7.268 1.00 0.00 O ATOM 293 CB ILE A 39 -2.933 -9.832 7.954 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.449 -8.852 9.008 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.086 -11.268 8.465 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.973 -8.952 9.111 1.00 0.00 C ATOM 0 H ILE A 39 -2.224 -7.761 6.838 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.910 -9.497 8.615 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.509 -9.721 7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.995 -9.072 9.974 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.160 -7.835 8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.138 -11.474 8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.715 -11.964 7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.514 -11.390 9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.334 -8.251 9.864 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.420 -8.710 8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.253 -9.966 9.396 1.00 0.00 H new ATOM 308 N LEU A 40 -1.260 -10.666 5.535 1.00 0.00 N ATOM 309 CA LEU A 40 -0.742 -11.678 4.619 1.00 0.00 C ATOM 310 C LEU A 40 0.737 -11.446 4.298 1.00 0.00 C ATOM 311 O LEU A 40 1.524 -12.390 4.257 1.00 0.00 O ATOM 312 CB LEU A 40 -1.557 -11.668 3.329 1.00 0.00 C ATOM 313 CG LEU A 40 -3.047 -11.771 3.664 1.00 0.00 C ATOM 314 CD1 LEU A 40 -3.856 -11.744 2.366 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.328 -13.078 4.426 1.00 0.00 C ATOM 0 H LEU A 40 -1.927 -10.014 5.122 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.830 -12.649 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.362 -10.753 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.259 -12.500 2.692 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.335 -10.929 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.919 -11.817 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.663 -10.811 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.563 -12.585 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.391 -13.142 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.041 -13.929 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.752 -13.091 5.351 1.00 0.00 H new ATOM 327 N TRP A 41 1.104 -10.189 4.060 1.00 0.00 N ATOM 328 CA TRP A 41 2.490 -9.857 3.728 1.00 0.00 C ATOM 329 C TRP A 41 3.422 -10.100 4.919 1.00 0.00 C ATOM 330 O TRP A 41 4.537 -10.597 4.748 1.00 0.00 O ATOM 331 CB TRP A 41 2.579 -8.407 3.230 1.00 0.00 C ATOM 332 CG TRP A 41 4.012 -8.024 3.010 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.739 -8.316 1.901 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.877 -7.217 3.859 1.00 0.00 C ATOM 335 NE1 TRP A 41 6.010 -7.789 2.050 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.140 -7.098 3.235 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.698 -6.599 5.105 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.181 -6.391 3.829 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.746 -5.877 5.699 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.982 -5.776 5.062 1.00 0.00 C ATOM 0 H TRP A 41 0.470 -9.390 4.090 1.00 0.00 H new ATOM 0 HA TRP A 41 2.821 -10.516 2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.019 -8.298 2.301 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.123 -7.736 3.958 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.384 -8.869 1.044 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.759 -7.899 1.366 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.747 -6.679 5.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.139 -6.320 3.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.594 -5.397 6.655 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.785 -5.221 5.525 1.00 0.00 H new ATOM 351 N ILE A 42 2.962 -9.760 6.121 1.00 0.00 N ATOM 352 CA ILE A 42 3.772 -9.963 7.324 1.00 0.00 C ATOM 353 C ILE A 42 4.054 -11.452 7.537 1.00 0.00 C ATOM 354 O ILE A 42 5.190 -11.842 7.803 1.00 0.00 O ATOM 355 CB ILE A 42 3.028 -9.393 8.548 1.00 0.00 C ATOM 356 CG1 ILE A 42 3.108 -7.863 8.533 1.00 0.00 C ATOM 357 CG2 ILE A 42 3.644 -9.922 9.849 1.00 0.00 C ATOM 358 CD1 ILE A 42 2.107 -7.290 9.538 1.00 0.00 C ATOM 0 H ILE A 42 2.044 -9.348 6.289 1.00 0.00 H new ATOM 0 HA ILE A 42 4.723 -9.444 7.199 1.00 0.00 H new ATOM 0 HB ILE A 42 1.986 -9.709 8.498 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.118 -7.539 8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.892 -7.487 7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.105 -9.508 10.701 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.574 -11.010 9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.691 -9.625 9.903 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.164 -6.202 9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.099 -7.604 9.267 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.344 -7.656 10.537 1.00 0.00 H new ATOM 370 N LEU A 43 3.020 -12.275 7.406 1.00 0.00 N ATOM 371 CA LEU A 43 3.178 -13.717 7.579 1.00 0.00 C ATOM 372 C LEU A 43 4.069 -14.293 6.479 1.00 0.00 C ATOM 373 O LEU A 43 4.862 -15.199 6.726 1.00 0.00 O ATOM 374 CB LEU A 43 1.800 -14.420 7.586 1.00 0.00 C ATOM 375 CG LEU A 43 1.237 -14.528 9.015 1.00 0.00 C ATOM 376 CD1 LEU A 43 0.853 -13.147 9.560 1.00 0.00 C ATOM 377 CD2 LEU A 43 0.001 -15.429 8.994 1.00 0.00 C ATOM 0 H LEU A 43 2.071 -11.974 7.183 1.00 0.00 H new ATOM 0 HA LEU A 43 3.658 -13.897 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.103 -13.865 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.895 -15.416 7.153 1.00 0.00 H new ATOM 0 HG LEU A 43 2.004 -14.951 9.664 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.458 -13.252 10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.734 -12.506 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.093 -12.701 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.406 -15.512 10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.752 -14.999 8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.278 -16.419 8.632 1.00 0.00 H new ATOM 389 N ASP A 44 3.926 -13.771 5.266 1.00 0.00 N ATOM 390 CA ASP A 44 4.723 -14.260 4.147 1.00 0.00 C ATOM 391 C ASP A 44 6.206 -14.234 4.502 1.00 0.00 C ATOM 392 O ASP A 44 6.913 -15.225 4.320 1.00 0.00 O ATOM 393 CB ASP A 44 4.479 -13.385 2.917 1.00 0.00 C ATOM 394 CG ASP A 44 5.207 -13.965 1.711 1.00 0.00 C ATOM 395 OD1 ASP A 44 5.962 -14.906 1.896 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.001 -13.459 0.619 1.00 0.00 O ATOM 0 H ASP A 44 3.276 -13.020 5.034 1.00 0.00 H new ATOM 0 HA ASP A 44 4.427 -15.286 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.410 -13.323 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.827 -12.370 3.108 1.00 0.00 H new ATOM 630 N VAL B 28 -9.263 8.380 -5.812 1.00 0.00 N ATOM 631 CA VAL B 28 -9.760 7.282 -6.633 1.00 0.00 C ATOM 632 C VAL B 28 -8.608 6.388 -7.077 1.00 0.00 C ATOM 633 O VAL B 28 -8.705 5.162 -7.023 1.00 0.00 O ATOM 634 CB VAL B 28 -10.486 7.837 -7.862 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.896 6.686 -8.784 1.00 0.00 C ATOM 636 CG2 VAL B 28 -11.736 8.600 -7.411 1.00 0.00 C ATOM 0 HA VAL B 28 -10.457 6.690 -6.039 1.00 0.00 H new ATOM 0 HB VAL B 28 -9.820 8.510 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.412 7.085 -9.657 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.007 6.143 -9.105 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.561 6.009 -8.247 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.255 8.996 -8.284 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.399 7.925 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.444 9.422 -6.758 1.00 0.00 H new ATOM 646 N ALA B 29 -7.518 7.007 -7.513 1.00 0.00 N ATOM 647 CA ALA B 29 -6.356 6.253 -7.963 1.00 0.00 C ATOM 648 C ALA B 29 -5.793 5.415 -6.820 1.00 0.00 C ATOM 649 O ALA B 29 -5.359 4.283 -7.027 1.00 0.00 O ATOM 650 CB ALA B 29 -5.275 7.209 -8.474 1.00 0.00 C ATOM 0 H ALA B 29 -7.415 8.020 -7.564 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.666 5.591 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.410 6.635 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.668 7.791 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -4.975 7.882 -7.671 1.00 0.00 H new ATOM 656 N ALA B 30 -5.806 5.972 -5.614 1.00 0.00 N ATOM 657 CA ALA B 30 -5.289 5.259 -4.452 1.00 0.00 C ATOM 658 C ALA B 30 -5.981 3.908 -4.304 1.00 0.00 C ATOM 659 O ALA B 30 -5.329 2.883 -4.119 1.00 0.00 O ATOM 660 CB ALA B 30 -5.510 6.087 -3.187 1.00 0.00 C ATOM 0 H ALA B 30 -6.165 6.906 -5.416 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.221 5.096 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.120 5.545 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -4.991 7.041 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -6.577 6.266 -3.051 1.00 0.00 H new ATOM 666 N SER B 31 -7.307 3.914 -4.394 1.00 0.00 N ATOM 667 CA SER B 31 -8.072 2.678 -4.275 1.00 0.00 C ATOM 668 C SER B 31 -7.680 1.696 -5.378 1.00 0.00 C ATOM 669 O SER B 31 -7.518 0.501 -5.132 1.00 0.00 O ATOM 670 CB SER B 31 -9.568 2.980 -4.362 1.00 0.00 C ATOM 671 OG SER B 31 -9.936 3.840 -3.294 1.00 0.00 O ATOM 0 H SER B 31 -7.869 4.751 -4.547 1.00 0.00 H new ATOM 0 HA SER B 31 -7.850 2.226 -3.308 1.00 0.00 H new ATOM 0 HB2 SER B 31 -9.801 3.448 -5.318 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.141 2.054 -4.313 1.00 0.00 H new ATOM 0 HG SER B 31 -10.894 4.037 -3.348 1.00 0.00 H new ATOM 677 N ILE B 32 -7.527 2.213 -6.594 1.00 0.00 N ATOM 678 CA ILE B 32 -7.151 1.379 -7.733 1.00 0.00 C ATOM 679 C ILE B 32 -5.761 0.785 -7.524 1.00 0.00 C ATOM 680 O ILE B 32 -5.528 -0.386 -7.817 1.00 0.00 O ATOM 681 CB ILE B 32 -7.177 2.204 -9.024 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.623 2.598 -9.344 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.616 1.368 -10.179 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.635 3.643 -10.461 1.00 0.00 C ATOM 0 H ILE B 32 -7.657 3.200 -6.816 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.871 0.565 -7.817 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.570 3.100 -8.894 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.191 1.719 -9.648 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.107 2.998 -8.453 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.635 1.956 -11.097 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.589 1.080 -9.954 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.224 0.473 -10.309 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.664 3.922 -10.687 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.082 4.526 -10.139 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.167 3.227 -11.353 1.00 0.00 H new ATOM 696 N ILE B 33 -4.842 1.602 -7.026 1.00 0.00 N ATOM 697 CA ILE B 33 -3.478 1.146 -6.792 1.00 0.00 C ATOM 698 C ILE B 33 -3.454 0.003 -5.781 1.00 0.00 C ATOM 699 O ILE B 33 -2.752 -0.989 -5.975 1.00 0.00 O ATOM 700 CB ILE B 33 -2.627 2.310 -6.267 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.403 3.330 -7.389 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.271 1.796 -5.763 1.00 0.00 C ATOM 703 CD1 ILE B 33 -1.856 4.628 -6.791 1.00 0.00 C ATOM 0 H ILE B 33 -5.014 2.576 -6.778 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.069 0.785 -7.736 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.154 2.785 -5.439 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.703 2.932 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.339 3.524 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.679 2.633 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.430 1.081 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.740 1.309 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.695 5.356 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.572 5.028 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.911 4.427 -6.287 1.00 0.00 H new ATOM 715 N GLY B 34 -4.213 0.147 -4.704 1.00 0.00 N ATOM 716 CA GLY B 34 -4.247 -0.889 -3.683 1.00 0.00 C ATOM 717 C GLY B 34 -4.793 -2.196 -4.246 1.00 0.00 C ATOM 718 O GLY B 34 -4.170 -3.248 -4.108 1.00 0.00 O ATOM 0 H GLY B 34 -4.804 0.957 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.243 -1.050 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.867 -0.562 -2.849 1.00 0.00 H new ATOM 722 N ILE B 35 -5.961 -2.126 -4.879 1.00 0.00 N ATOM 723 CA ILE B 35 -6.577 -3.319 -5.451 1.00 0.00 C ATOM 724 C ILE B 35 -5.743 -3.868 -6.611 1.00 0.00 C ATOM 725 O ILE B 35 -5.531 -5.074 -6.715 1.00 0.00 O ATOM 726 CB ILE B 35 -7.989 -2.988 -5.946 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.878 -2.655 -4.745 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.573 -4.194 -6.686 1.00 0.00 C ATOM 729 CD1 ILE B 35 -10.194 -2.053 -5.240 1.00 0.00 C ATOM 0 H ILE B 35 -6.495 -1.266 -5.008 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.628 -4.081 -4.673 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.945 -2.135 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -9.073 -3.555 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.369 -1.952 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.577 -3.955 -7.036 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.940 -4.439 -7.539 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.619 -5.048 -6.011 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.829 -1.815 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.988 -1.143 -5.804 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.704 -2.771 -5.882 1.00 0.00 H new ATOM 741 N LEU B 36 -5.285 -2.974 -7.487 1.00 0.00 N ATOM 742 CA LEU B 36 -4.492 -3.387 -8.645 1.00 0.00 C ATOM 743 C LEU B 36 -3.186 -4.037 -8.205 1.00 0.00 C ATOM 744 O LEU B 36 -2.801 -5.096 -8.709 1.00 0.00 O ATOM 745 CB LEU B 36 -4.181 -2.164 -9.521 1.00 0.00 C ATOM 746 CG LEU B 36 -3.336 -2.571 -10.740 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.087 -3.613 -11.585 1.00 0.00 C ATOM 748 CD2 LEU B 36 -3.054 -1.327 -11.586 1.00 0.00 C ATOM 0 H LEU B 36 -5.447 -1.969 -7.419 1.00 0.00 H new ATOM 0 HA LEU B 36 -5.070 -4.115 -9.215 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.111 -1.703 -9.854 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.647 -1.417 -8.935 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.398 -3.010 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.478 -3.892 -12.444 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.287 -4.497 -10.979 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.030 -3.190 -11.931 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.455 -1.605 -12.453 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.996 -0.893 -11.920 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.509 -0.596 -10.988 1.00 0.00 H new ATOM 760 N HIS B 37 -2.511 -3.398 -7.262 1.00 0.00 N ATOM 761 CA HIS B 37 -1.252 -3.922 -6.762 1.00 0.00 C ATOM 762 C HIS B 37 -1.461 -5.305 -6.166 1.00 0.00 C ATOM 763 O HIS B 37 -0.636 -6.201 -6.349 1.00 0.00 O ATOM 764 CB HIS B 37 -0.676 -2.989 -5.703 1.00 0.00 C ATOM 765 CG HIS B 37 0.626 -3.552 -5.215 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.828 -2.897 -5.400 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.934 -4.718 -4.566 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.796 -3.665 -4.873 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.305 -4.788 -4.349 1.00 0.00 N ATOM 0 H HIS B 37 -2.811 -2.523 -6.831 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.551 -3.993 -7.593 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.523 -1.994 -6.120 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.375 -2.883 -4.874 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.219 -5.470 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.844 -3.404 -4.874 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.823 -5.536 -3.889 1.00 0.00 H new ATOM 777 N LEU B 38 -2.563 -5.472 -5.447 1.00 0.00 N ATOM 778 CA LEU B 38 -2.863 -6.752 -4.818 1.00 0.00 C ATOM 779 C LEU B 38 -3.017 -7.851 -5.858 1.00 0.00 C ATOM 780 O LEU B 38 -2.573 -8.972 -5.646 1.00 0.00 O ATOM 781 CB LEU B 38 -4.148 -6.644 -3.973 1.00 0.00 C ATOM 782 CG LEU B 38 -3.825 -6.156 -2.548 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.131 -5.782 -1.827 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.095 -7.267 -1.755 1.00 0.00 C ATOM 0 H LEU B 38 -3.259 -4.744 -5.285 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.027 -7.011 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.845 -5.955 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.641 -7.615 -3.927 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.176 -5.282 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.904 -5.437 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.636 -4.988 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.780 -6.656 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.872 -6.910 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.732 -8.149 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.166 -7.525 -2.262 1.00 0.00 H new ATOM 796 N ILE B 39 -3.649 -7.546 -6.972 1.00 0.00 N ATOM 797 CA ILE B 39 -3.836 -8.562 -7.997 1.00 0.00 C ATOM 798 C ILE B 39 -2.486 -9.100 -8.458 1.00 0.00 C ATOM 799 O ILE B 39 -2.280 -10.310 -8.514 1.00 0.00 O ATOM 800 CB ILE B 39 -4.587 -7.959 -9.183 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.020 -7.632 -8.755 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.612 -8.955 -10.347 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.707 -6.789 -9.832 1.00 0.00 C ATOM 0 H ILE B 39 -4.035 -6.628 -7.192 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.417 -9.385 -7.581 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.082 -7.049 -9.507 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.579 -8.553 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.012 -7.092 -7.808 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.149 -8.518 -11.189 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.591 -9.187 -10.649 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.114 -9.870 -10.032 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.726 -6.560 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.154 -5.860 -9.975 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.730 -7.345 -10.769 1.00 0.00 H new ATOM 815 N LEU B 40 -1.567 -8.198 -8.780 1.00 0.00 N ATOM 816 CA LEU B 40 -0.242 -8.615 -9.230 1.00 0.00 C ATOM 817 C LEU B 40 0.569 -9.237 -8.089 1.00 0.00 C ATOM 818 O LEU B 40 1.245 -10.249 -8.280 1.00 0.00 O ATOM 819 CB LEU B 40 0.510 -7.415 -9.799 1.00 0.00 C ATOM 820 CG LEU B 40 -0.362 -6.719 -10.849 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.392 -5.508 -11.402 1.00 0.00 C ATOM 822 CD2 LEU B 40 -0.691 -7.696 -11.991 1.00 0.00 C ATOM 0 H LEU B 40 -1.709 -7.189 -8.740 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.372 -9.372 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.762 -6.718 -9.000 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.449 -7.740 -10.247 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.294 -6.392 -10.389 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.223 -5.007 -12.150 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.612 -4.815 -10.590 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.324 -5.838 -11.860 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.311 -7.193 -12.733 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.234 -8.033 -12.459 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.229 -8.555 -11.591 1.00 0.00 H new ATOM 834 N TRP B 41 0.510 -8.622 -6.911 1.00 0.00 N ATOM 835 CA TRP B 41 1.257 -9.123 -5.757 1.00 0.00 C ATOM 836 C TRP B 41 0.719 -10.478 -5.288 1.00 0.00 C ATOM 837 O TRP B 41 1.493 -11.368 -4.934 1.00 0.00 O ATOM 838 CB TRP B 41 1.235 -8.086 -4.625 1.00 0.00 C ATOM 839 CG TRP B 41 1.891 -8.647 -3.400 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.227 -8.678 -3.174 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.265 -9.179 -2.197 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.457 -9.254 -1.934 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.277 -9.569 -1.294 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.070 -9.376 -1.815 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.972 -10.135 -0.058 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.379 -9.936 -0.564 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.642 -10.316 0.309 1.00 0.00 C ATOM 0 H TRP B 41 -0.041 -7.783 -6.729 1.00 0.00 H new ATOM 0 HA TRP B 41 2.293 -9.280 -6.058 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.752 -7.180 -4.941 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.207 -7.804 -4.400 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.987 -8.314 -3.849 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.384 -9.424 -1.544 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.867 -9.095 -2.488 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.765 -10.432 0.613 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.411 -10.073 -0.276 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.400 -10.750 1.268 1.00 0.00 H new ATOM 858 N ILE B 42 -0.603 -10.635 -5.299 1.00 0.00 N ATOM 859 CA ILE B 42 -1.219 -11.897 -4.880 1.00 0.00 C ATOM 860 C ILE B 42 -0.789 -13.036 -5.807 1.00 0.00 C ATOM 861 O ILE B 42 -0.412 -14.112 -5.343 1.00 0.00 O ATOM 862 CB ILE B 42 -2.754 -11.754 -4.905 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.214 -10.923 -3.703 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.424 -13.133 -4.856 1.00 0.00 C ATOM 865 CD1 ILE B 42 -4.670 -10.503 -3.902 1.00 0.00 C ATOM 0 H ILE B 42 -1.264 -9.914 -5.590 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.891 -12.131 -3.867 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.041 -11.255 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.114 -11.504 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.582 -10.042 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.507 -13.012 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.110 -13.721 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.132 -13.647 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.998 -9.912 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.756 -9.907 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.296 -11.391 -3.991 1.00 0.00 H new ATOM 877 N LEU B 43 -0.838 -12.791 -7.111 1.00 0.00 N ATOM 878 CA LEU B 43 -0.442 -13.805 -8.084 1.00 0.00 C ATOM 879 C LEU B 43 1.052 -14.106 -7.964 1.00 0.00 C ATOM 880 O LEU B 43 1.473 -15.252 -8.120 1.00 0.00 O ATOM 881 CB LEU B 43 -0.790 -13.348 -9.521 1.00 0.00 C ATOM 882 CG LEU B 43 -2.200 -13.818 -9.928 1.00 0.00 C ATOM 883 CD1 LEU B 43 -3.277 -13.076 -9.128 1.00 0.00 C ATOM 884 CD2 LEU B 43 -2.399 -13.549 -11.420 1.00 0.00 C ATOM 0 H LEU B 43 -1.145 -11.907 -7.518 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.997 -14.719 -7.872 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.734 -12.261 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.055 -13.746 -10.220 1.00 0.00 H new ATOM 0 HG LEU B 43 -2.291 -14.884 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -4.263 -13.426 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -3.138 -13.269 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -3.197 -12.005 -9.316 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.394 -13.878 -11.719 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.296 -12.481 -11.614 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -1.649 -14.096 -11.991 1.00 0.00 H new ATOM 896 N ASP B 44 1.847 -13.075 -7.701 1.00 0.00 N ATOM 897 CA ASP B 44 3.288 -13.258 -7.585 1.00 0.00 C ATOM 898 C ASP B 44 3.597 -14.358 -6.574 1.00 0.00 C ATOM 899 O ASP B 44 4.374 -15.270 -6.856 1.00 0.00 O ATOM 900 CB ASP B 44 3.940 -11.950 -7.134 1.00 0.00 C ATOM 901 CG ASP B 44 5.456 -12.106 -7.100 1.00 0.00 C ATOM 902 OD1 ASP B 44 5.921 -13.219 -7.288 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.130 -11.112 -6.886 1.00 0.00 O ATOM 0 H ASP B 44 1.524 -12.117 -7.566 1.00 0.00 H new ATOM 0 HA ASP B 44 3.687 -13.546 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.665 -11.144 -7.814 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.573 -11.673 -6.146 1.00 0.00 H new ATOM 1137 N VAL C 28 -2.047 13.549 -0.029 1.00 0.00 N ATOM 1138 CA VAL C 28 -1.166 13.697 -1.178 1.00 0.00 C ATOM 1139 C VAL C 28 -0.001 12.717 -1.086 1.00 0.00 C ATOM 1140 O VAL C 28 0.355 12.067 -2.068 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.629 15.130 -1.244 1.00 0.00 C ATOM 1142 CG1 VAL C 28 0.391 15.248 -2.379 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.788 16.095 -1.497 1.00 0.00 C ATOM 0 HA VAL C 28 -1.736 13.483 -2.082 1.00 0.00 H new ATOM 0 HB VAL C 28 -0.146 15.379 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL C 28 0.770 16.269 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.218 14.561 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL C 28 -0.088 14.998 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -1.408 17.116 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -2.271 15.844 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -2.512 16.015 -0.686 1.00 0.00 H new ATOM 1153 N ALA C 29 0.587 12.614 0.101 1.00 0.00 N ATOM 1154 CA ALA C 29 1.709 11.708 0.303 1.00 0.00 C ATOM 1155 C ALA C 29 1.280 10.265 0.049 1.00 0.00 C ATOM 1156 O ALA C 29 2.038 9.475 -0.510 1.00 0.00 O ATOM 1157 CB ALA C 29 2.237 11.839 1.734 1.00 0.00 C ATOM 0 H ALA C 29 0.309 13.141 0.929 1.00 0.00 H new ATOM 0 HA ALA C 29 2.498 11.973 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.076 11.158 1.876 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.568 12.863 1.907 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.444 11.590 2.439 1.00 0.00 H new ATOM 1163 N ALA C 30 0.062 9.930 0.459 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.447 8.577 0.267 1.00 0.00 C ATOM 1165 C ALA C 30 -0.367 8.180 -1.203 1.00 0.00 C ATOM 1166 O ALA C 30 0.113 7.098 -1.537 1.00 0.00 O ATOM 1167 CB ALA C 30 -1.899 8.493 0.742 1.00 0.00 C ATOM 0 H ALA C 30 -0.585 10.568 0.921 1.00 0.00 H new ATOM 0 HA ALA C 30 0.166 7.891 0.852 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.272 7.479 0.595 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -1.951 8.749 1.800 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.510 9.191 0.169 1.00 0.00 H new ATOM 1173 N SER C 31 -0.835 9.064 -2.078 1.00 0.00 N ATOM 1174 CA SER C 31 -0.801 8.792 -3.512 1.00 0.00 C ATOM 1175 C SER C 31 0.639 8.601 -3.988 1.00 0.00 C ATOM 1176 O SER C 31 0.928 7.703 -4.777 1.00 0.00 O ATOM 1177 CB SER C 31 -1.446 9.945 -4.277 1.00 0.00 C ATOM 1178 OG SER C 31 -2.803 10.075 -3.876 1.00 0.00 O ATOM 0 H SER C 31 -1.238 9.966 -1.824 1.00 0.00 H new ATOM 0 HA SER C 31 -1.358 7.875 -3.703 1.00 0.00 H new ATOM 0 HB2 SER C 31 -0.907 10.872 -4.082 1.00 0.00 H new ATOM 0 HB3 SER C 31 -1.388 9.762 -5.350 1.00 0.00 H new ATOM 0 HG SER C 31 -3.219 10.816 -4.365 1.00 0.00 H new ATOM 1184 N ILE C 32 1.535 9.454 -3.498 1.00 0.00 N ATOM 1185 CA ILE C 32 2.943 9.375 -3.877 1.00 0.00 C ATOM 1186 C ILE C 32 3.549 8.056 -3.404 1.00 0.00 C ATOM 1187 O ILE C 32 4.312 7.420 -4.128 1.00 0.00 O ATOM 1188 CB ILE C 32 3.719 10.551 -3.277 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.256 11.853 -3.936 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.218 10.364 -3.536 1.00 0.00 C ATOM 1191 CD1 ILE C 32 3.815 13.049 -3.162 1.00 0.00 C ATOM 0 H ILE C 32 1.313 10.203 -2.842 1.00 0.00 H new ATOM 0 HA ILE C 32 3.011 9.422 -4.964 1.00 0.00 H new ATOM 0 HB ILE C 32 3.536 10.594 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.593 11.888 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.167 11.896 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.768 11.202 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.554 9.436 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.399 10.321 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.484 13.974 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.456 13.017 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE C 32 4.904 13.009 -3.167 1.00 0.00 H new ATOM 1203 N ILE C 33 3.213 7.659 -2.183 1.00 0.00 N ATOM 1204 CA ILE C 33 3.739 6.420 -1.623 1.00 0.00 C ATOM 1205 C ILE C 33 3.308 5.222 -2.463 1.00 0.00 C ATOM 1206 O ILE C 33 4.112 4.333 -2.745 1.00 0.00 O ATOM 1207 CB ILE C 33 3.231 6.248 -0.184 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.898 7.286 0.722 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.550 4.836 0.328 1.00 0.00 C ATOM 1210 CD1 ILE C 33 3.155 7.343 2.058 1.00 0.00 C ATOM 0 H ILE C 33 2.584 8.172 -1.566 1.00 0.00 H new ATOM 0 HA ILE C 33 4.828 6.473 -1.625 1.00 0.00 H new ATOM 0 HB ILE C 33 2.151 6.392 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.944 7.025 0.885 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.885 8.265 0.243 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.184 4.728 1.349 1.00 0.00 H new ATOM 0 HG22 ILE C 33 3.064 4.099 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.628 4.677 0.310 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.627 8.081 2.706 1.00 0.00 H new ATOM 0 HD12 ILE C 33 2.116 7.624 1.885 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.191 6.364 2.537 1.00 0.00 H new ATOM 1222 N GLY C 34 2.043 5.195 -2.857 1.00 0.00 N ATOM 1223 CA GLY C 34 1.542 4.086 -3.655 1.00 0.00 C ATOM 1224 C GLY C 34 2.261 4.008 -4.997 1.00 0.00 C ATOM 1225 O GLY C 34 2.776 2.957 -5.373 1.00 0.00 O ATOM 0 H GLY C 34 1.354 5.916 -2.641 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.678 3.151 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.471 4.206 -3.819 1.00 0.00 H new ATOM 1229 N ILE C 35 2.289 5.125 -5.718 1.00 0.00 N ATOM 1230 CA ILE C 35 2.949 5.162 -7.020 1.00 0.00 C ATOM 1231 C ILE C 35 4.459 4.962 -6.881 1.00 0.00 C ATOM 1232 O ILE C 35 5.066 4.216 -7.646 1.00 0.00 O ATOM 1233 CB ILE C 35 2.668 6.503 -7.706 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.179 6.596 -8.042 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.482 6.602 -9.000 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.840 8.027 -8.460 1.00 0.00 C ATOM 0 H ILE C 35 1.868 6.007 -5.428 1.00 0.00 H new ATOM 0 HA ILE C 35 2.551 4.348 -7.626 1.00 0.00 H new ATOM 0 HB ILE C 35 2.949 7.316 -7.037 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.933 5.903 -8.846 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.581 6.307 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.280 7.557 -9.485 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.545 6.531 -8.768 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.202 5.789 -9.669 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.221 8.094 -8.700 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.071 8.709 -7.642 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.428 8.299 -9.337 1.00 0.00 H new ATOM 1248 N LEU C 36 5.061 5.646 -5.909 1.00 0.00 N ATOM 1249 CA LEU C 36 6.505 5.548 -5.694 1.00 0.00 C ATOM 1250 C LEU C 36 6.901 4.127 -5.319 1.00 0.00 C ATOM 1251 O LEU C 36 7.861 3.570 -5.858 1.00 0.00 O ATOM 1252 CB LEU C 36 6.925 6.509 -4.573 1.00 0.00 C ATOM 1253 CG LEU C 36 8.439 6.413 -4.319 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.217 6.768 -5.598 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.816 7.387 -3.198 1.00 0.00 C ATOM 0 H LEU C 36 4.577 6.269 -5.263 1.00 0.00 H new ATOM 0 HA LEU C 36 7.011 5.817 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.660 7.531 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.381 6.270 -3.659 1.00 0.00 H new ATOM 0 HG LEU C 36 8.694 5.394 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.287 6.696 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU C 36 8.945 6.075 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.971 7.785 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU C 36 9.888 7.327 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.556 8.403 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.273 7.125 -2.290 1.00 0.00 H new ATOM 1267 N HIS C 37 6.155 3.544 -4.391 1.00 0.00 N ATOM 1268 CA HIS C 37 6.440 2.189 -3.953 1.00 0.00 C ATOM 1269 C HIS C 37 6.350 1.227 -5.128 1.00 0.00 C ATOM 1270 O HIS C 37 7.159 0.309 -5.252 1.00 0.00 O ATOM 1271 CB HIS C 37 5.453 1.769 -2.867 1.00 0.00 C ATOM 1272 CG HIS C 37 5.780 0.373 -2.428 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.200 0.081 -1.144 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.772 -0.821 -3.098 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.429 -1.243 -1.084 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.182 -1.840 -2.247 1.00 0.00 N ATOM 0 H HIS C 37 5.357 3.984 -3.932 1.00 0.00 H new ATOM 0 HA HIS C 37 7.451 2.160 -3.547 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.510 2.453 -2.021 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.432 1.816 -3.247 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.490 -0.951 -4.132 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.772 -1.759 -0.199 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.274 -2.832 -2.467 1.00 0.00 H new ATOM 1284 N LEU C 38 5.357 1.438 -5.982 1.00 0.00 N ATOM 1285 CA LEU C 38 5.166 0.573 -7.138 1.00 0.00 C ATOM 1286 C LEU C 38 6.370 0.625 -8.066 1.00 0.00 C ATOM 1287 O LEU C 38 6.776 -0.392 -8.612 1.00 0.00 O ATOM 1288 CB LEU C 38 3.896 0.983 -7.909 1.00 0.00 C ATOM 1289 CG LEU C 38 2.655 0.280 -7.329 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.387 0.922 -7.911 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.683 -1.227 -7.680 1.00 0.00 C ATOM 0 H LEU C 38 4.677 2.194 -5.897 1.00 0.00 H new ATOM 0 HA LEU C 38 5.053 -0.449 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.766 2.064 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU C 38 4.006 0.727 -8.963 1.00 0.00 H new ATOM 0 HG LEU C 38 2.657 0.389 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.507 0.426 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.362 1.980 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.391 0.817 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.801 -1.714 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.688 -1.348 -8.763 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.580 -1.682 -7.260 1.00 0.00 H new ATOM 1303 N ILE C 39 6.939 1.798 -8.256 1.00 0.00 N ATOM 1304 CA ILE C 39 8.085 1.908 -9.143 1.00 0.00 C ATOM 1305 C ILE C 39 9.217 1.011 -8.654 1.00 0.00 C ATOM 1306 O ILE C 39 9.782 0.238 -9.425 1.00 0.00 O ATOM 1307 CB ILE C 39 8.558 3.361 -9.187 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.498 4.212 -9.889 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.882 3.456 -9.952 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.820 5.697 -9.712 1.00 0.00 C ATOM 0 H ILE C 39 6.638 2.670 -7.821 1.00 0.00 H new ATOM 0 HA ILE C 39 7.793 1.590 -10.144 1.00 0.00 H new ATOM 0 HB ILE C 39 8.709 3.724 -8.171 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.463 3.963 -10.950 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.513 3.993 -9.477 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.213 4.494 -9.979 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.636 2.848 -9.452 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.741 3.093 -10.970 1.00 0.00 H new ATOM 0 HD11 ILE C 39 7.061 6.296 -10.215 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.832 5.943 -8.650 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.797 5.912 -10.145 1.00 0.00 H new ATOM 1322 N LEU C 40 9.538 1.109 -7.371 1.00 0.00 N ATOM 1323 CA LEU C 40 10.605 0.287 -6.804 1.00 0.00 C ATOM 1324 C LEU C 40 10.202 -1.188 -6.735 1.00 0.00 C ATOM 1325 O LEU C 40 11.003 -2.072 -7.045 1.00 0.00 O ATOM 1326 CB LEU C 40 10.957 0.794 -5.409 1.00 0.00 C ATOM 1327 CG LEU C 40 11.236 2.299 -5.466 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.572 2.798 -4.059 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.413 2.580 -6.415 1.00 0.00 C ATOM 0 H LEU C 40 9.084 1.739 -6.709 1.00 0.00 H new ATOM 0 HA LEU C 40 11.475 0.366 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.137 0.591 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.831 0.266 -5.029 1.00 0.00 H new ATOM 0 HG LEU C 40 10.354 2.819 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.772 3.869 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.730 2.606 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.454 2.275 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU C 40 12.604 3.652 -6.450 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.303 2.064 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.167 2.223 -7.415 1.00 0.00 H new ATOM 1341 N TRP C 41 8.968 -1.451 -6.314 1.00 0.00 N ATOM 1342 CA TRP C 41 8.485 -2.827 -6.196 1.00 0.00 C ATOM 1343 C TRP C 41 8.358 -3.495 -7.565 1.00 0.00 C ATOM 1344 O TRP C 41 8.693 -4.670 -7.722 1.00 0.00 O ATOM 1345 CB TRP C 41 7.153 -2.853 -5.430 1.00 0.00 C ATOM 1346 CG TRP C 41 6.594 -4.245 -5.411 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.963 -5.224 -4.547 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.518 -4.801 -6.219 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.219 -6.360 -4.820 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.312 -6.145 -5.834 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.719 -4.283 -7.250 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.351 -6.940 -6.451 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.742 -5.081 -7.866 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.561 -6.405 -7.467 1.00 0.00 C ATOM 0 H TRP C 41 8.288 -0.738 -6.051 1.00 0.00 H new ATOM 0 HA TRP C 41 9.218 -3.403 -5.631 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.305 -2.500 -4.410 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.442 -2.174 -5.900 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.712 -5.133 -3.775 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.329 -7.248 -4.330 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.857 -3.261 -7.572 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.218 -7.967 -6.144 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.128 -4.668 -8.652 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.809 -7.015 -7.945 1.00 0.00 H new ATOM 1365 N ILE C 42 7.882 -2.744 -8.558 1.00 0.00 N ATOM 1366 CA ILE C 42 7.732 -3.285 -9.910 1.00 0.00 C ATOM 1367 C ILE C 42 9.095 -3.686 -10.481 1.00 0.00 C ATOM 1368 O ILE C 42 9.245 -4.774 -11.036 1.00 0.00 O ATOM 1369 CB ILE C 42 7.076 -2.229 -10.819 1.00 0.00 C ATOM 1370 CG1 ILE C 42 5.580 -2.130 -10.497 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.256 -2.599 -12.296 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.003 -0.872 -11.148 1.00 0.00 C ATOM 0 H ILE C 42 7.596 -1.770 -8.455 1.00 0.00 H new ATOM 0 HA ILE C 42 7.099 -4.171 -9.866 1.00 0.00 H new ATOM 0 HB ILE C 42 7.558 -1.268 -10.637 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.059 -3.014 -10.863 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.430 -2.096 -9.418 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.785 -1.840 -12.921 1.00 0.00 H new ATOM 0 HG22 ILE C 42 8.319 -2.654 -12.530 1.00 0.00 H new ATOM 0 HG23 ILE C 42 6.792 -3.566 -12.488 1.00 0.00 H new ATOM 0 HD11 ILE C 42 3.939 -0.800 -10.920 1.00 0.00 H new ATOM 0 HD12 ILE C 42 5.518 0.007 -10.760 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.140 -0.926 -12.228 1.00 0.00 H new ATOM 1384 N LEU C 43 10.081 -2.811 -10.332 1.00 0.00 N ATOM 1385 CA LEU C 43 11.424 -3.095 -10.830 1.00 0.00 C ATOM 1386 C LEU C 43 12.041 -4.267 -10.069 1.00 0.00 C ATOM 1387 O LEU C 43 12.749 -5.089 -10.650 1.00 0.00 O ATOM 1388 CB LEU C 43 12.324 -1.842 -10.718 1.00 0.00 C ATOM 1389 CG LEU C 43 12.261 -0.994 -12.004 1.00 0.00 C ATOM 1390 CD1 LEU C 43 10.884 -0.339 -12.160 1.00 0.00 C ATOM 1391 CD2 LEU C 43 13.336 0.091 -11.935 1.00 0.00 C ATOM 0 H LEU C 43 9.980 -1.905 -9.874 1.00 0.00 H new ATOM 0 HA LEU C 43 11.348 -3.369 -11.882 1.00 0.00 H new ATOM 0 HB2 LEU C 43 12.009 -1.240 -9.866 1.00 0.00 H new ATOM 0 HB3 LEU C 43 13.354 -2.146 -10.530 1.00 0.00 H new ATOM 0 HG LEU C 43 12.432 -1.643 -12.863 1.00 0.00 H new ATOM 0 HD11 LEU C 43 10.865 0.254 -13.074 1.00 0.00 H new ATOM 0 HD12 LEU C 43 10.117 -1.112 -12.212 1.00 0.00 H new ATOM 0 HD13 LEU C 43 10.690 0.308 -11.304 1.00 0.00 H new ATOM 0 HD21 LEU C 43 13.300 0.697 -12.840 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.158 0.725 -11.067 1.00 0.00 H new ATOM 0 HD23 LEU C 43 14.318 -0.375 -11.849 1.00 0.00 H new ATOM 1403 N ASP C 44 11.776 -4.336 -8.769 1.00 0.00 N ATOM 1404 CA ASP C 44 12.327 -5.411 -7.952 1.00 0.00 C ATOM 1405 C ASP C 44 12.001 -6.765 -8.575 1.00 0.00 C ATOM 1406 O ASP C 44 12.882 -7.608 -8.745 1.00 0.00 O ATOM 1407 CB ASP C 44 11.740 -5.344 -6.544 1.00 0.00 C ATOM 1408 CG ASP C 44 12.405 -6.387 -5.650 1.00 0.00 C ATOM 1409 OD1 ASP C 44 13.162 -7.187 -6.172 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.146 -6.369 -4.458 1.00 0.00 O ATOM 0 H ASP C 44 11.191 -3.670 -8.264 1.00 0.00 H new ATOM 0 HA ASP C 44 13.409 -5.293 -7.900 1.00 0.00 H new ATOM 0 HB2 ASP C 44 11.888 -4.348 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP C 44 10.665 -5.518 -6.581 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.935 7.748 8.022 1.00 0.00 N ATOM 1629 CA VAL D 27 -7.037 8.329 7.028 1.00 0.00 C ATOM 1630 C VAL D 27 -5.622 8.458 7.592 1.00 0.00 C ATOM 1631 O VAL D 27 -4.635 8.208 6.896 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.560 9.702 6.594 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -9.051 9.597 6.260 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -7.357 10.717 7.723 1.00 0.00 C ATOM 0 HA VAL D 27 -7.002 7.670 6.161 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.011 10.034 5.713 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -9.424 10.573 5.951 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -9.193 8.881 5.450 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -9.598 9.261 7.141 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -7.731 11.691 7.408 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -7.900 10.389 8.609 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -6.295 10.794 7.956 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.535 8.857 8.857 1.00 0.00 N ATOM 1645 CA VAL D 28 -4.243 9.024 9.511 1.00 0.00 C ATOM 1646 C VAL D 28 -3.489 7.699 9.544 1.00 0.00 C ATOM 1647 O VAL D 28 -2.294 7.647 9.258 1.00 0.00 O ATOM 1648 CB VAL D 28 -4.445 9.538 10.940 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -3.097 9.592 11.663 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -5.055 10.941 10.894 1.00 0.00 C ATOM 0 H VAL D 28 -6.340 9.070 9.447 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.657 9.749 8.945 1.00 0.00 H new ATOM 0 HB VAL D 28 -5.115 8.865 11.475 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -3.244 9.958 12.679 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.662 8.593 11.696 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -2.424 10.263 11.129 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -5.200 11.308 11.910 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -4.384 11.612 10.357 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.016 10.903 10.382 1.00 0.00 H new ATOM 1660 N ALA D 29 -4.195 6.630 9.893 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.577 5.312 9.958 1.00 0.00 C ATOM 1662 C ALA D 29 -3.057 4.901 8.585 1.00 0.00 C ATOM 1663 O ALA D 29 -1.995 4.292 8.473 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.594 4.281 10.450 1.00 0.00 C ATOM 0 H ALA D 29 -5.186 6.649 10.133 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.740 5.356 10.655 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.123 3.299 10.495 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.945 4.561 11.443 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.439 4.247 9.763 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.808 5.238 7.543 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.403 4.890 6.184 1.00 0.00 C ATOM 1672 C ALA D 30 -2.006 5.422 5.893 1.00 0.00 C ATOM 1673 O ALA D 30 -1.152 4.696 5.383 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.396 5.477 5.178 1.00 0.00 C ATOM 0 H ALA D 30 -4.690 5.746 7.610 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.393 3.804 6.092 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.088 5.213 4.166 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.390 5.074 5.371 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.418 6.562 5.279 1.00 0.00 H new ATOM 1680 N SER D 31 -1.775 6.689 6.221 1.00 0.00 N ATOM 1681 CA SER D 31 -0.469 7.298 5.991 1.00 0.00 C ATOM 1682 C SER D 31 0.612 6.559 6.779 1.00 0.00 C ATOM 1683 O SER D 31 1.702 6.303 6.267 1.00 0.00 O ATOM 1684 CB SER D 31 -0.498 8.766 6.410 1.00 0.00 C ATOM 1685 OG SER D 31 -1.462 9.459 5.627 1.00 0.00 O ATOM 0 H SER D 31 -2.467 7.309 6.643 1.00 0.00 H new ATOM 0 HA SER D 31 -0.237 7.230 4.928 1.00 0.00 H new ATOM 0 HB2 SER D 31 -0.744 8.849 7.469 1.00 0.00 H new ATOM 0 HB3 SER D 31 0.487 9.214 6.276 1.00 0.00 H new ATOM 0 HG SER D 31 -1.484 10.401 5.895 1.00 0.00 H new ATOM 1691 N ILE D 32 0.298 6.220 8.026 1.00 0.00 N ATOM 1692 CA ILE D 32 1.246 5.510 8.882 1.00 0.00 C ATOM 1693 C ILE D 32 1.556 4.130 8.305 1.00 0.00 C ATOM 1694 O ILE D 32 2.705 3.693 8.306 1.00 0.00 O ATOM 1695 CB ILE D 32 0.677 5.368 10.298 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.591 6.752 10.947 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.599 4.475 11.135 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.224 6.662 12.239 1.00 0.00 C ATOM 0 H ILE D 32 -0.600 6.423 8.465 1.00 0.00 H new ATOM 0 HA ILE D 32 2.170 6.087 8.927 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.315 4.920 10.248 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.592 7.127 11.161 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.126 7.459 10.260 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.193 4.375 12.142 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.670 3.490 10.673 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.591 4.924 11.187 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.285 7.648 12.700 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.229 6.305 12.011 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.260 5.969 12.927 1.00 0.00 H new ATOM 1710 N ILE D 33 0.523 3.447 7.827 1.00 0.00 N ATOM 1711 CA ILE D 33 0.700 2.114 7.260 1.00 0.00 C ATOM 1712 C ILE D 33 1.627 2.162 6.049 1.00 0.00 C ATOM 1713 O ILE D 33 2.507 1.316 5.901 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.664 1.546 6.841 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.494 1.228 8.087 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.476 0.269 6.010 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -2.950 0.986 7.674 1.00 0.00 C ATOM 0 H ILE D 33 -0.438 3.789 7.820 1.00 0.00 H new ATOM 0 HA ILE D 33 1.149 1.472 8.017 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.183 2.289 6.236 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.095 0.347 8.590 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.437 2.053 8.797 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.451 -0.123 5.720 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.104 0.499 5.116 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.053 -0.477 6.604 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.546 0.759 8.558 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.344 1.880 7.190 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -2.997 0.147 6.980 1.00 0.00 H new ATOM 1729 N GLY D 34 1.422 3.144 5.181 1.00 0.00 N ATOM 1730 CA GLY D 34 2.253 3.262 3.993 1.00 0.00 C ATOM 1731 C GLY D 34 3.712 3.508 4.365 1.00 0.00 C ATOM 1732 O GLY D 34 4.606 2.798 3.904 1.00 0.00 O ATOM 0 H GLY D 34 0.700 3.858 5.275 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.175 2.352 3.399 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.890 4.081 3.371 1.00 0.00 H new ATOM 1736 N ILE D 35 3.950 4.515 5.200 1.00 0.00 N ATOM 1737 CA ILE D 35 5.308 4.839 5.619 1.00 0.00 C ATOM 1738 C ILE D 35 5.908 3.716 6.469 1.00 0.00 C ATOM 1739 O ILE D 35 7.061 3.336 6.282 1.00 0.00 O ATOM 1740 CB ILE D 35 5.308 6.145 6.421 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.919 7.302 5.499 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.707 6.404 6.988 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.642 8.550 6.335 1.00 0.00 C ATOM 0 H ILE D 35 3.227 5.115 5.596 1.00 0.00 H new ATOM 0 HA ILE D 35 5.919 4.956 4.724 1.00 0.00 H new ATOM 0 HB ILE D 35 4.593 6.066 7.240 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.721 7.499 4.787 1.00 0.00 H new ATOM 0 HG13 ILE D 35 4.035 7.037 4.918 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.702 7.333 7.557 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.993 5.580 7.641 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.422 6.483 6.169 1.00 0.00 H new ATOM 0 HD11 ILE D 35 4.365 9.374 5.678 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.826 8.349 7.029 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.537 8.818 6.896 1.00 0.00 H new ATOM 1755 N LEU D 36 5.119 3.201 7.411 1.00 0.00 N ATOM 1756 CA LEU D 36 5.591 2.136 8.295 1.00 0.00 C ATOM 1757 C LEU D 36 5.929 0.881 7.500 1.00 0.00 C ATOM 1758 O LEU D 36 6.981 0.267 7.696 1.00 0.00 O ATOM 1759 CB LEU D 36 4.508 1.807 9.331 1.00 0.00 C ATOM 1760 CG LEU D 36 4.978 0.680 10.266 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.261 1.098 11.002 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.870 0.384 11.282 1.00 0.00 C ATOM 0 H LEU D 36 4.159 3.500 7.581 1.00 0.00 H new ATOM 0 HA LEU D 36 6.493 2.482 8.799 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.273 2.697 9.915 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.591 1.507 8.824 1.00 0.00 H new ATOM 0 HG LEU D 36 5.191 -0.213 9.678 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.582 0.291 11.660 1.00 0.00 H new ATOM 0 HD12 LEU D 36 7.046 1.307 10.275 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.066 1.993 11.593 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.193 -0.414 11.950 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.660 1.282 11.864 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.967 0.074 10.756 1.00 0.00 H new ATOM 1774 N HIS D 37 5.030 0.508 6.600 1.00 0.00 N ATOM 1775 CA HIS D 37 5.242 -0.674 5.783 1.00 0.00 C ATOM 1776 C HIS D 37 6.515 -0.524 4.966 1.00 0.00 C ATOM 1777 O HIS D 37 7.278 -1.476 4.806 1.00 0.00 O ATOM 1778 CB HIS D 37 4.055 -0.890 4.853 1.00 0.00 C ATOM 1779 CG HIS D 37 4.297 -2.122 4.034 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.493 -3.242 4.127 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.263 -2.433 3.112 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.986 -4.165 3.286 1.00 0.00 C ATOM 1783 NE2 HIS D 37 5.064 -3.723 2.641 1.00 0.00 N ATOM 0 H HIS D 37 4.156 1.002 6.419 1.00 0.00 H new ATOM 0 HA HIS D 37 5.340 -1.538 6.440 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.137 -0.996 5.432 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.923 -0.025 4.203 1.00 0.00 H new ATOM 0 HD2 HIS D 37 6.059 -1.773 2.799 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.560 -5.148 3.149 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.623 -4.224 1.950 1.00 0.00 H new ATOM 1791 N LEU D 38 6.733 0.675 4.440 1.00 0.00 N ATOM 1792 CA LEU D 38 7.915 0.934 3.626 1.00 0.00 C ATOM 1793 C LEU D 38 9.190 0.725 4.429 1.00 0.00 C ATOM 1794 O LEU D 38 10.166 0.198 3.914 1.00 0.00 O ATOM 1795 CB LEU D 38 7.876 2.373 3.072 1.00 0.00 C ATOM 1796 CG LEU D 38 7.095 2.425 1.746 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.819 3.891 1.377 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.910 1.750 0.617 1.00 0.00 C ATOM 0 H LEU D 38 6.114 1.477 4.560 1.00 0.00 H new ATOM 0 HA LEU D 38 7.912 0.228 2.796 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.410 3.036 3.801 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.892 2.735 2.916 1.00 0.00 H new ATOM 0 HG LEU D 38 6.152 1.891 1.866 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.266 3.932 0.439 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.231 4.360 2.166 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.764 4.422 1.265 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.346 1.794 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.859 2.271 0.492 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.100 0.709 0.878 1.00 0.00 H new ATOM 1810 N ILE D 39 9.194 1.143 5.679 1.00 0.00 N ATOM 1811 CA ILE D 39 10.391 0.980 6.487 1.00 0.00 C ATOM 1812 C ILE D 39 10.770 -0.494 6.574 1.00 0.00 C ATOM 1813 O ILE D 39 11.921 -0.860 6.340 1.00 0.00 O ATOM 1814 CB ILE D 39 10.139 1.533 7.890 1.00 0.00 C ATOM 1815 CG1 ILE D 39 9.984 3.052 7.807 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.315 1.185 8.808 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.469 3.597 9.142 1.00 0.00 C ATOM 0 H ILE D 39 8.406 1.587 6.150 1.00 0.00 H new ATOM 0 HA ILE D 39 11.212 1.527 6.023 1.00 0.00 H new ATOM 0 HB ILE D 39 9.230 1.091 8.298 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.942 3.511 7.562 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.292 3.312 7.006 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.128 1.582 9.806 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.425 0.102 8.864 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.230 1.623 8.409 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.361 4.680 9.076 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.502 3.149 9.369 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.177 3.351 9.933 1.00 0.00 H new ATOM 1829 N LEU D 40 9.801 -1.338 6.902 1.00 0.00 N ATOM 1830 CA LEU D 40 10.064 -2.771 7.006 1.00 0.00 C ATOM 1831 C LEU D 40 10.333 -3.395 5.633 1.00 0.00 C ATOM 1832 O LEU D 40 11.237 -4.218 5.485 1.00 0.00 O ATOM 1833 CB LEU D 40 8.874 -3.463 7.664 1.00 0.00 C ATOM 1834 CG LEU D 40 8.529 -2.753 8.976 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.327 -3.445 9.619 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.732 -2.800 9.932 1.00 0.00 C ATOM 0 H LEU D 40 8.839 -1.063 7.099 1.00 0.00 H new ATOM 0 HA LEU D 40 10.957 -2.908 7.616 1.00 0.00 H new ATOM 0 HB2 LEU D 40 8.015 -3.447 6.993 1.00 0.00 H new ATOM 0 HB3 LEU D 40 9.110 -4.510 7.856 1.00 0.00 H new ATOM 0 HG LEU D 40 8.285 -1.710 8.772 1.00 0.00 H new ATOM 0 HD11 LEU D 40 7.076 -2.944 10.554 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.474 -3.397 8.942 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.572 -4.488 9.820 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.477 -2.293 10.862 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.989 -3.838 10.143 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.584 -2.303 9.469 1.00 0.00 H new ATOM 1848 N TRP D 41 9.538 -3.010 4.637 1.00 0.00 N ATOM 1849 CA TRP D 41 9.701 -3.553 3.289 1.00 0.00 C ATOM 1850 C TRP D 41 11.022 -3.105 2.658 1.00 0.00 C ATOM 1851 O TRP D 41 11.697 -3.893 1.995 1.00 0.00 O ATOM 1852 CB TRP D 41 8.498 -3.161 2.417 1.00 0.00 C ATOM 1853 CG TRP D 41 8.717 -3.610 1.003 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.486 -4.862 0.535 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.123 -2.818 -0.149 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.784 -4.896 -0.817 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.172 -3.659 -1.282 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.468 -1.468 -0.318 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.552 -3.177 -2.532 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.840 -0.979 -1.579 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.882 -1.834 -2.681 1.00 0.00 C ATOM 0 H TRP D 41 8.782 -2.332 4.735 1.00 0.00 H new ATOM 0 HA TRP D 41 9.738 -4.640 3.357 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.589 -3.613 2.814 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.355 -2.081 2.446 1.00 0.00 H new ATOM 0 HD1 TRP D 41 8.128 -5.696 1.121 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.724 -5.733 -1.396 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.447 -0.800 0.530 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.590 -3.843 -3.382 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.095 0.064 -1.697 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.171 -1.453 -3.649 1.00 0.00 H new ATOM 1872 N ILE D 42 11.393 -1.845 2.877 1.00 0.00 N ATOM 1873 CA ILE D 42 12.647 -1.321 2.329 1.00 0.00 C ATOM 1874 C ILE D 42 13.845 -2.076 2.909 1.00 0.00 C ATOM 1875 O ILE D 42 14.747 -2.480 2.175 1.00 0.00 O ATOM 1876 CB ILE D 42 12.766 0.180 2.660 1.00 0.00 C ATOM 1877 CG1 ILE D 42 11.821 0.984 1.760 1.00 0.00 C ATOM 1878 CG2 ILE D 42 14.206 0.666 2.452 1.00 0.00 C ATOM 1879 CD1 ILE D 42 11.692 2.407 2.303 1.00 0.00 C ATOM 0 H ILE D 42 10.853 -1.174 3.423 1.00 0.00 H new ATOM 0 HA ILE D 42 12.642 -1.458 1.248 1.00 0.00 H new ATOM 0 HB ILE D 42 12.493 0.327 3.705 1.00 0.00 H new ATOM 0 HG12 ILE D 42 12.203 1.006 0.740 1.00 0.00 H new ATOM 0 HG13 ILE D 42 10.842 0.507 1.723 1.00 0.00 H new ATOM 0 HG21 ILE D 42 14.270 1.728 2.691 1.00 0.00 H new ATOM 0 HG22 ILE D 42 14.877 0.107 3.104 1.00 0.00 H new ATOM 0 HG23 ILE D 42 14.496 0.510 1.413 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.020 2.981 1.664 1.00 0.00 H new ATOM 0 HD12 ILE D 42 11.290 2.375 3.316 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.673 2.882 2.317 1.00 0.00 H new ATOM 1891 N LEU D 43 13.842 -2.275 4.223 1.00 0.00 N ATOM 1892 CA LEU D 43 14.933 -2.993 4.879 1.00 0.00 C ATOM 1893 C LEU D 43 14.959 -4.453 4.428 1.00 0.00 C ATOM 1894 O LEU D 43 16.028 -5.036 4.260 1.00 0.00 O ATOM 1895 CB LEU D 43 14.800 -2.901 6.417 1.00 0.00 C ATOM 1896 CG LEU D 43 15.560 -1.677 6.968 1.00 0.00 C ATOM 1897 CD1 LEU D 43 14.876 -0.372 6.547 1.00 0.00 C ATOM 1898 CD2 LEU D 43 15.595 -1.765 8.494 1.00 0.00 C ATOM 0 H LEU D 43 13.105 -1.954 4.851 1.00 0.00 H new ATOM 0 HA LEU D 43 15.874 -2.526 4.590 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.747 -2.833 6.691 1.00 0.00 H new ATOM 0 HB3 LEU D 43 15.190 -3.811 6.874 1.00 0.00 H new ATOM 0 HG LEU D 43 16.572 -1.678 6.564 1.00 0.00 H new ATOM 0 HD11 LEU D 43 15.431 0.476 6.948 1.00 0.00 H new ATOM 0 HD12 LEU D 43 14.852 -0.308 5.459 1.00 0.00 H new ATOM 0 HD13 LEU D 43 13.857 -0.354 6.934 1.00 0.00 H new ATOM 0 HD21 LEU D 43 16.130 -0.905 8.896 1.00 0.00 H new ATOM 0 HD22 LEU D 43 14.576 -1.772 8.881 1.00 0.00 H new ATOM 0 HD23 LEU D 43 16.104 -2.681 8.794 1.00 0.00 H new ATOM 1910 N ASP D 44 13.781 -5.038 4.244 1.00 0.00 N ATOM 1911 CA ASP D 44 13.699 -6.432 3.826 1.00 0.00 C ATOM 1912 C ASP D 44 14.539 -6.658 2.572 1.00 0.00 C ATOM 1913 O ASP D 44 15.345 -7.585 2.514 1.00 0.00 O ATOM 1914 CB ASP D 44 12.245 -6.805 3.541 1.00 0.00 C ATOM 1915 CG ASP D 44 12.137 -8.291 3.219 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.173 -8.926 3.096 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.024 -8.774 3.100 1.00 0.00 O ATOM 0 H ASP D 44 12.881 -4.576 4.375 1.00 0.00 H new ATOM 0 HA ASP D 44 14.083 -7.060 4.630 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.625 -6.566 4.405 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.868 -6.216 2.705 1.00 0.00 H new