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 -27:sc= 0.707 USER MOD Single : A 37 HIS : no HD1:sc= -8.96! C(o=-9!,f=-11!) USER MOD Single : B 31 SER OG : rot -30:sc= 0.818 USER MOD Single : B 37 HIS : no HD1:sc= -9.55! C(o=-9.5!,f=-12!) USER MOD Single : C 31 SER OG : rot -25:sc= 0.75 USER MOD Single : C 37 HIS : no HD1:sc= -9.29! C(o=-9.3!,f=-11!) USER MOD Single : D 31 SER OG : rot -29:sc= 0.781 USER MOD Single : D 37 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -12.654 5.487 1.845 1.00 0.00 N ATOM 108 CA VAL A 27 -11.787 5.707 2.991 1.00 0.00 C ATOM 109 C VAL A 27 -11.600 4.417 3.779 1.00 0.00 C ATOM 110 O VAL A 27 -10.477 4.037 4.112 1.00 0.00 O ATOM 111 CB VAL A 27 -12.392 6.783 3.897 1.00 0.00 C ATOM 112 CG1 VAL A 27 -11.549 6.918 5.167 1.00 0.00 C ATOM 113 CG2 VAL A 27 -12.421 8.124 3.157 1.00 0.00 C ATOM 0 HA VAL A 27 -10.813 6.038 2.631 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.409 6.497 4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.981 7.684 5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.534 5.965 5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.531 7.201 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.852 8.888 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.406 8.411 2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.026 8.029 2.255 1.00 0.00 H new ATOM 123 N VAL A 28 -12.708 3.748 4.076 1.00 0.00 N ATOM 124 CA VAL A 28 -12.653 2.504 4.829 1.00 0.00 C ATOM 125 C VAL A 28 -11.956 1.417 4.017 1.00 0.00 C ATOM 126 O VAL A 28 -11.113 0.688 4.535 1.00 0.00 O ATOM 127 CB VAL A 28 -14.069 2.046 5.186 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.009 0.680 5.873 1.00 0.00 C ATOM 129 CG2 VAL A 28 -14.709 3.063 6.133 1.00 0.00 C ATOM 0 H VAL A 28 -13.647 4.044 3.809 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.086 2.680 5.743 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.664 1.968 4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.018 0.356 6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.553 -0.046 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.413 0.756 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.718 2.738 6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.112 3.140 7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.754 4.037 5.645 1.00 0.00 H new ATOM 139 N ALA A 29 -12.319 1.310 2.744 1.00 0.00 N ATOM 140 CA ALA A 29 -11.729 0.300 1.872 1.00 0.00 C ATOM 141 C ALA A 29 -10.216 0.455 1.819 1.00 0.00 C ATOM 142 O ALA A 29 -9.483 -0.526 1.903 1.00 0.00 O ATOM 143 CB ALA A 29 -12.304 0.427 0.459 1.00 0.00 C ATOM 0 H ALA A 29 -13.014 1.906 2.294 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.969 -0.684 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.858 -0.331 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.384 0.285 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.080 1.417 0.063 1.00 0.00 H new ATOM 149 N ALA A 30 -9.753 1.689 1.682 1.00 0.00 N ATOM 150 CA ALA A 30 -8.321 1.951 1.614 1.00 0.00 C ATOM 151 C ALA A 30 -7.609 1.403 2.847 1.00 0.00 C ATOM 152 O ALA A 30 -6.582 0.731 2.734 1.00 0.00 O ATOM 153 CB ALA A 30 -8.074 3.456 1.511 1.00 0.00 C ATOM 0 H ALA A 30 -10.342 2.519 1.616 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.924 1.451 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.002 3.646 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.554 3.843 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.490 3.954 2.387 1.00 0.00 H new ATOM 159 N SER A 31 -8.156 1.696 4.020 1.00 0.00 N ATOM 160 CA SER A 31 -7.560 1.226 5.265 1.00 0.00 C ATOM 161 C SER A 31 -7.572 -0.295 5.330 1.00 0.00 C ATOM 162 O SER A 31 -6.613 -0.913 5.788 1.00 0.00 O ATOM 163 CB SER A 31 -8.329 1.794 6.454 1.00 0.00 C ATOM 164 OG SER A 31 -9.688 1.381 6.378 1.00 0.00 O ATOM 0 H SER A 31 -9.003 2.252 4.136 1.00 0.00 H new ATOM 0 HA SER A 31 -6.526 1.568 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.884 1.449 7.387 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.268 2.882 6.455 1.00 0.00 H new ATOM 0 HG SER A 31 -9.930 1.223 5.442 1.00 0.00 H new ATOM 170 N ILE A 32 -8.664 -0.892 4.873 1.00 0.00 N ATOM 171 CA ILE A 32 -8.788 -2.342 4.882 1.00 0.00 C ATOM 172 C ILE A 32 -7.746 -2.975 3.970 1.00 0.00 C ATOM 173 O ILE A 32 -7.131 -3.970 4.323 1.00 0.00 O ATOM 174 CB ILE A 32 -10.192 -2.760 4.427 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.215 -2.338 5.484 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.249 -4.282 4.239 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.629 -2.546 4.938 1.00 0.00 C ATOM 0 H ILE A 32 -9.472 -0.398 4.494 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.623 -2.690 5.902 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.422 -2.274 3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.076 -2.922 6.394 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.067 -1.292 5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.249 -4.572 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.522 -4.583 3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.016 -4.774 5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.358 -2.245 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.765 -1.943 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.773 -3.598 4.693 1.00 0.00 H new ATOM 189 N ILE A 33 -7.560 -2.402 2.797 1.00 0.00 N ATOM 190 CA ILE A 33 -6.601 -2.948 1.843 1.00 0.00 C ATOM 191 C ILE A 33 -5.209 -3.020 2.457 1.00 0.00 C ATOM 192 O ILE A 33 -4.504 -4.016 2.292 1.00 0.00 O ATOM 193 CB ILE A 33 -6.563 -2.070 0.584 1.00 0.00 C ATOM 194 CG1 ILE A 33 -7.867 -2.237 -0.202 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.373 -2.467 -0.301 1.00 0.00 C ATOM 196 CD1 ILE A 33 -7.959 -1.151 -1.283 1.00 0.00 C ATOM 0 H ILE A 33 -8.052 -1.567 2.479 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.917 -3.957 1.577 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.451 -1.028 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.903 -3.225 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.721 -2.167 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.356 -1.838 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.445 -2.334 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.472 -3.511 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.887 -1.271 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.943 -0.168 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.112 -1.242 -1.963 1.00 0.00 H new ATOM 208 N GLY A 34 -4.811 -1.967 3.140 1.00 0.00 N ATOM 209 CA GLY A 34 -3.495 -1.931 3.758 1.00 0.00 C ATOM 210 C GLY A 34 -3.406 -2.880 4.948 1.00 0.00 C ATOM 211 O GLY A 34 -2.427 -3.614 5.093 1.00 0.00 O ATOM 0 H GLY A 34 -5.373 -1.128 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.739 -2.200 3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.274 -0.915 4.085 1.00 0.00 H new ATOM 215 N ILE A 35 -4.413 -2.838 5.809 1.00 0.00 N ATOM 216 CA ILE A 35 -4.423 -3.689 6.994 1.00 0.00 C ATOM 217 C ILE A 35 -4.455 -5.167 6.612 1.00 0.00 C ATOM 218 O ILE A 35 -3.655 -5.965 7.109 1.00 0.00 O ATOM 219 CB ILE A 35 -5.641 -3.355 7.861 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.496 -1.934 8.420 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.738 -4.351 9.022 1.00 0.00 C ATOM 222 CD1 ILE A 35 -6.826 -1.483 9.025 1.00 0.00 C ATOM 0 H ILE A 35 -5.227 -2.231 5.713 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.508 -3.501 7.555 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.544 -3.419 7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.713 -1.909 9.178 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.195 -1.249 7.627 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.606 -4.110 9.636 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.842 -5.361 8.627 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.835 -4.291 9.630 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.721 -0.473 9.422 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.598 -1.492 8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.108 -2.162 9.830 1.00 0.00 H new ATOM 234 N LEU A 36 -5.385 -5.529 5.745 1.00 0.00 N ATOM 235 CA LEU A 36 -5.516 -6.920 5.317 1.00 0.00 C ATOM 236 C LEU A 36 -4.276 -7.387 4.581 1.00 0.00 C ATOM 237 O LEU A 36 -3.798 -8.500 4.805 1.00 0.00 O ATOM 238 CB LEU A 36 -6.757 -7.071 4.416 1.00 0.00 C ATOM 239 CG LEU A 36 -8.011 -7.325 5.278 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.970 -8.760 5.864 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.087 -6.291 6.428 1.00 0.00 C ATOM 0 H LEU A 36 -6.058 -4.888 5.324 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.633 -7.543 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.894 -6.170 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.612 -7.897 3.719 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.895 -7.221 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.859 -8.931 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.942 -9.485 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.080 -8.875 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.976 -6.480 7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.200 -6.378 7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.139 -5.286 6.010 1.00 0.00 H new ATOM 253 N HIS A 37 -3.768 -6.540 3.710 1.00 0.00 N ATOM 254 CA HIS A 37 -2.583 -6.878 2.941 1.00 0.00 C ATOM 255 C HIS A 37 -1.409 -7.146 3.867 1.00 0.00 C ATOM 256 O HIS A 37 -0.619 -8.059 3.634 1.00 0.00 O ATOM 257 CB HIS A 37 -2.242 -5.745 1.983 1.00 0.00 C ATOM 258 CG HIS A 37 -1.017 -6.114 1.193 1.00 0.00 C ATOM 259 ND1 HIS A 37 -1.039 -6.262 -0.181 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.272 -6.372 1.574 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.204 -6.599 -0.571 1.00 0.00 C ATOM 262 NE2 HIS A 37 1.042 -6.675 0.460 1.00 0.00 N ATOM 0 H HIS A 37 -4.153 -5.616 3.516 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.787 -7.781 2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.079 -5.557 1.311 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.067 -4.824 2.539 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.636 -6.344 2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.487 -6.785 -1.596 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.035 -6.906 0.436 1.00 0.00 H new ATOM 270 N LEU A 38 -1.289 -6.340 4.910 1.00 0.00 N ATOM 271 CA LEU A 38 -0.193 -6.498 5.852 1.00 0.00 C ATOM 272 C LEU A 38 -0.241 -7.856 6.521 1.00 0.00 C ATOM 273 O LEU A 38 0.792 -8.477 6.730 1.00 0.00 O ATOM 274 CB LEU A 38 -0.253 -5.385 6.921 1.00 0.00 C ATOM 275 CG LEU A 38 0.520 -4.143 6.450 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.185 -2.954 7.356 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.040 -4.417 6.499 1.00 0.00 C ATOM 0 H LEU A 38 -1.931 -5.577 5.124 1.00 0.00 H new ATOM 0 HA LEU A 38 0.744 -6.422 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.291 -5.120 7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.169 -5.749 7.858 1.00 0.00 H new ATOM 0 HG LEU A 38 0.231 -3.912 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.734 -2.074 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.885 -2.752 7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.467 -3.188 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.580 -3.532 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.334 -4.656 7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.280 -5.257 5.847 1.00 0.00 H new ATOM 289 N ILE A 39 -1.428 -8.305 6.862 1.00 0.00 N ATOM 290 CA ILE A 39 -1.565 -9.592 7.523 1.00 0.00 C ATOM 291 C ILE A 39 -1.036 -10.707 6.625 1.00 0.00 C ATOM 292 O ILE A 39 -0.309 -11.593 7.082 1.00 0.00 O ATOM 293 CB ILE A 39 -3.042 -9.841 7.843 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.508 -8.844 8.908 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.226 -11.269 8.366 1.00 0.00 C ATOM 296 CD1 ILE A 39 -5.031 -8.924 9.060 1.00 0.00 C ATOM 0 H ILE A 39 -2.304 -7.809 6.697 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.986 -9.584 8.446 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.633 -9.711 6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.026 -9.063 9.861 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.214 -7.833 8.627 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.278 -11.441 8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.897 -11.979 7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.634 -11.404 9.271 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.359 -8.213 9.819 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.505 -8.683 8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.314 -9.933 9.361 1.00 0.00 H new ATOM 308 N LEU A 40 -1.402 -10.661 5.351 1.00 0.00 N ATOM 309 CA LEU A 40 -0.953 -11.676 4.404 1.00 0.00 C ATOM 310 C LEU A 40 0.523 -11.493 4.074 1.00 0.00 C ATOM 311 O LEU A 40 1.286 -12.457 4.023 1.00 0.00 O ATOM 312 CB LEU A 40 -1.783 -11.594 3.126 1.00 0.00 C ATOM 313 CG LEU A 40 -3.242 -11.959 3.435 1.00 0.00 C ATOM 314 CD1 LEU A 40 -4.108 -11.676 2.203 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.357 -13.451 3.819 1.00 0.00 C ATOM 0 H LEU A 40 -2.002 -9.940 4.951 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.085 -12.657 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.730 -10.588 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.379 -12.272 2.374 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.587 -11.356 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.145 -11.934 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.043 -10.618 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.753 -12.274 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.398 -13.692 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.006 -14.068 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.749 -13.647 4.702 1.00 0.00 H new ATOM 327 N TRP A 41 0.910 -10.246 3.841 1.00 0.00 N ATOM 328 CA TRP A 41 2.291 -9.936 3.510 1.00 0.00 C ATOM 329 C TRP A 41 3.209 -10.242 4.682 1.00 0.00 C ATOM 330 O TRP A 41 4.347 -10.672 4.496 1.00 0.00 O ATOM 331 CB TRP A 41 2.423 -8.473 3.069 1.00 0.00 C ATOM 332 CG TRP A 41 3.871 -8.130 2.912 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.630 -8.430 1.832 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.725 -7.369 3.813 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.911 -7.951 2.046 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.012 -7.280 3.244 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.514 -6.760 5.059 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.051 -6.619 3.892 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.558 -6.082 5.708 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.821 -6.010 5.123 1.00 0.00 C ATOM 0 H TRP A 41 0.289 -9.437 3.875 1.00 0.00 H new ATOM 0 HA TRP A 41 2.596 -10.568 2.676 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.897 -8.317 2.127 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.960 -7.816 3.806 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.293 -8.955 0.951 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.686 -8.080 1.395 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.540 -6.813 5.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.032 -6.578 3.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.382 -5.614 6.665 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.620 -5.483 5.623 1.00 0.00 H new ATOM 351 N ILE A 42 2.716 -10.002 5.880 1.00 0.00 N ATOM 352 CA ILE A 42 3.506 -10.248 7.071 1.00 0.00 C ATOM 353 C ILE A 42 3.825 -11.730 7.201 1.00 0.00 C ATOM 354 O ILE A 42 4.953 -12.107 7.516 1.00 0.00 O ATOM 355 CB ILE A 42 2.741 -9.758 8.322 1.00 0.00 C ATOM 356 CG1 ILE A 42 2.877 -8.220 8.453 1.00 0.00 C ATOM 357 CG2 ILE A 42 3.294 -10.439 9.590 1.00 0.00 C ATOM 358 CD1 ILE A 42 4.180 -7.860 9.182 1.00 0.00 C ATOM 0 H ILE A 42 1.779 -9.639 6.055 1.00 0.00 H new ATOM 0 HA ILE A 42 4.443 -9.698 6.988 1.00 0.00 H new ATOM 0 HB ILE A 42 1.689 -10.020 8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.867 -7.762 7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.024 -7.818 8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.745 -10.084 10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.177 -11.519 9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.351 -10.196 9.702 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.262 -6.776 9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.174 -8.302 10.178 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.030 -8.245 8.619 1.00 0.00 H new ATOM 370 N LEU A 43 2.820 -12.562 6.978 1.00 0.00 N ATOM 371 CA LEU A 43 3.002 -13.999 7.093 1.00 0.00 C ATOM 372 C LEU A 43 4.027 -14.490 6.084 1.00 0.00 C ATOM 373 O LEU A 43 4.865 -15.335 6.402 1.00 0.00 O ATOM 374 CB LEU A 43 1.669 -14.709 6.856 1.00 0.00 C ATOM 375 CG LEU A 43 0.715 -14.429 8.027 1.00 0.00 C ATOM 376 CD1 LEU A 43 -0.707 -14.845 7.636 1.00 0.00 C ATOM 377 CD2 LEU A 43 1.155 -15.213 9.285 1.00 0.00 C ATOM 0 H LEU A 43 1.878 -12.270 6.719 1.00 0.00 H new ATOM 0 HA LEU A 43 3.363 -14.224 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.224 -14.365 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.831 -15.782 6.755 1.00 0.00 H new ATOM 0 HG LEU A 43 0.740 -13.363 8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.385 -14.647 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.026 -14.275 6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.723 -15.909 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.467 -15.002 10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.146 -16.281 9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.162 -14.909 9.569 1.00 0.00 H new ATOM 389 N ASP A 44 3.958 -13.956 4.875 1.00 0.00 N ATOM 390 CA ASP A 44 4.887 -14.351 3.827 1.00 0.00 C ATOM 391 C ASP A 44 6.326 -14.096 4.263 1.00 0.00 C ATOM 392 O ASP A 44 7.198 -14.947 4.084 1.00 0.00 O ATOM 393 CB ASP A 44 4.598 -13.561 2.549 1.00 0.00 C ATOM 394 CG ASP A 44 5.584 -13.953 1.452 1.00 0.00 C ATOM 395 OD1 ASP A 44 6.484 -14.726 1.737 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.426 -13.471 0.342 1.00 0.00 O ATOM 0 H ASP A 44 3.274 -13.253 4.596 1.00 0.00 H new ATOM 0 HA ASP A 44 4.757 -15.416 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.578 -13.754 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.672 -12.492 2.749 1.00 0.00 H new ATOM 630 N VAL B 28 -9.936 7.918 -5.743 1.00 0.00 N ATOM 631 CA VAL B 28 -10.128 6.765 -6.612 1.00 0.00 C ATOM 632 C VAL B 28 -8.786 6.140 -6.981 1.00 0.00 C ATOM 633 O VAL B 28 -8.631 4.922 -6.955 1.00 0.00 O ATOM 634 CB VAL B 28 -10.868 7.185 -7.884 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.972 5.991 -8.833 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.272 7.669 -7.519 1.00 0.00 C ATOM 0 HA VAL B 28 -10.723 6.026 -6.075 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.320 7.990 -8.373 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.499 6.291 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -9.972 5.645 -9.093 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.519 5.185 -8.345 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.800 7.969 -8.424 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.819 6.863 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.199 8.521 -6.843 1.00 0.00 H new ATOM 646 N ALA B 29 -7.823 6.985 -7.333 1.00 0.00 N ATOM 647 CA ALA B 29 -6.502 6.504 -7.716 1.00 0.00 C ATOM 648 C ALA B 29 -5.880 5.686 -6.592 1.00 0.00 C ATOM 649 O ALA B 29 -5.309 4.626 -6.831 1.00 0.00 O ATOM 650 CB ALA B 29 -5.588 7.688 -8.045 1.00 0.00 C ATOM 0 H ALA B 29 -7.931 7.999 -7.361 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.612 5.870 -8.596 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.603 7.319 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.014 8.259 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.495 8.330 -7.169 1.00 0.00 H new ATOM 656 N ALA B 30 -5.995 6.184 -5.369 1.00 0.00 N ATOM 657 CA ALA B 30 -5.433 5.485 -4.216 1.00 0.00 C ATOM 658 C ALA B 30 -5.993 4.069 -4.115 1.00 0.00 C ATOM 659 O ALA B 30 -5.244 3.109 -3.928 1.00 0.00 O ATOM 660 CB ALA B 30 -5.755 6.255 -2.937 1.00 0.00 C ATOM 0 H ALA B 30 -6.467 7.061 -5.148 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.352 5.423 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.334 5.729 -2.080 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.325 7.255 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -6.836 6.331 -2.820 1.00 0.00 H new ATOM 666 N SER B 31 -7.309 3.949 -4.233 1.00 0.00 N ATOM 667 CA SER B 31 -7.954 2.644 -4.150 1.00 0.00 C ATOM 668 C SER B 31 -7.498 1.740 -5.288 1.00 0.00 C ATOM 669 O SER B 31 -7.268 0.547 -5.093 1.00 0.00 O ATOM 670 CB SER B 31 -9.468 2.808 -4.207 1.00 0.00 C ATOM 671 OG SER B 31 -9.828 3.455 -5.421 1.00 0.00 O ATOM 0 H SER B 31 -7.946 4.731 -4.385 1.00 0.00 H new ATOM 0 HA SER B 31 -7.671 2.184 -3.203 1.00 0.00 H new ATOM 0 HB2 SER B 31 -9.953 1.834 -4.144 1.00 0.00 H new ATOM 0 HB3 SER B 31 -9.814 3.392 -3.354 1.00 0.00 H new ATOM 0 HG SER B 31 -9.101 4.047 -5.704 1.00 0.00 H new ATOM 677 N ILE B 32 -7.369 2.314 -6.476 1.00 0.00 N ATOM 678 CA ILE B 32 -6.938 1.550 -7.638 1.00 0.00 C ATOM 679 C ILE B 32 -5.522 1.030 -7.436 1.00 0.00 C ATOM 680 O ILE B 32 -5.227 -0.116 -7.749 1.00 0.00 O ATOM 681 CB ILE B 32 -6.990 2.422 -8.898 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.449 2.729 -9.244 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.330 1.688 -10.072 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.502 3.783 -10.352 1.00 0.00 C ATOM 0 H ILE B 32 -7.555 3.300 -6.660 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.614 0.704 -7.761 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.453 3.352 -8.712 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.956 1.820 -9.568 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -8.975 3.089 -8.360 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.372 2.315 -10.963 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.290 1.473 -9.828 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.859 0.754 -10.261 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.541 4.001 -10.598 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.011 4.694 -10.011 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -7.991 3.406 -11.238 1.00 0.00 H new ATOM 696 N ILE B 33 -4.645 1.872 -6.926 1.00 0.00 N ATOM 697 CA ILE B 33 -3.260 1.470 -6.718 1.00 0.00 C ATOM 698 C ILE B 33 -3.181 0.240 -5.824 1.00 0.00 C ATOM 699 O ILE B 33 -2.419 -0.688 -6.100 1.00 0.00 O ATOM 700 CB ILE B 33 -2.477 2.623 -6.074 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.291 3.753 -7.093 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.105 2.130 -5.592 1.00 0.00 C ATOM 703 CD1 ILE B 33 -1.789 5.012 -6.375 1.00 0.00 C ATOM 0 H ILE B 33 -4.859 2.830 -6.649 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.824 1.224 -7.686 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.039 2.995 -5.217 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.579 3.451 -7.861 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.235 3.961 -7.598 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.560 2.957 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.241 1.337 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.538 1.745 -6.440 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.657 5.816 -7.099 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.517 5.317 -5.624 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.836 4.799 -5.891 1.00 0.00 H new ATOM 715 N GLY B 34 -3.948 0.241 -4.752 1.00 0.00 N ATOM 716 CA GLY B 34 -3.940 -0.882 -3.828 1.00 0.00 C ATOM 717 C GLY B 34 -4.586 -2.119 -4.441 1.00 0.00 C ATOM 718 O GLY B 34 -4.056 -3.225 -4.325 1.00 0.00 O ATOM 0 H GLY B 34 -4.581 0.999 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.913 -1.111 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.471 -0.608 -2.917 1.00 0.00 H new ATOM 722 N ILE B 35 -5.743 -1.933 -5.059 1.00 0.00 N ATOM 723 CA ILE B 35 -6.460 -3.050 -5.664 1.00 0.00 C ATOM 724 C ILE B 35 -5.652 -3.679 -6.798 1.00 0.00 C ATOM 725 O ILE B 35 -5.476 -4.899 -6.848 1.00 0.00 O ATOM 726 CB ILE B 35 -7.811 -2.567 -6.204 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.701 -2.137 -5.033 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.495 -3.701 -6.974 1.00 0.00 C ATOM 729 CD1 ILE B 35 -9.918 -1.375 -5.567 1.00 0.00 C ATOM 0 H ILE B 35 -6.204 -1.028 -5.155 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.617 -3.807 -4.895 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.652 -1.722 -6.874 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -9.025 -3.012 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.137 -1.506 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.455 -3.354 -7.356 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.863 -4.009 -7.807 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.655 -4.549 -6.308 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.550 -1.070 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.584 -0.492 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.487 -2.021 -6.236 1.00 0.00 H new ATOM 741 N LEU B 36 -5.174 -2.848 -7.709 1.00 0.00 N ATOM 742 CA LEU B 36 -4.398 -3.340 -8.844 1.00 0.00 C ATOM 743 C LEU B 36 -3.104 -3.983 -8.386 1.00 0.00 C ATOM 744 O LEU B 36 -2.714 -5.036 -8.893 1.00 0.00 O ATOM 745 CB LEU B 36 -4.101 -2.177 -9.813 1.00 0.00 C ATOM 746 CG LEU B 36 -5.266 -2.009 -10.808 1.00 0.00 C ATOM 747 CD1 LEU B 36 -5.265 -3.174 -11.831 1.00 0.00 C ATOM 748 CD2 LEU B 36 -6.619 -1.977 -10.053 1.00 0.00 C ATOM 0 H LEU B 36 -5.306 -1.837 -7.689 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.985 -4.100 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.955 -1.254 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.175 -2.371 -10.354 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.135 -1.066 -11.339 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.092 -3.046 -12.529 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.323 -3.175 -12.380 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.379 -4.121 -11.304 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.432 -1.858 -10.769 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -6.752 -2.910 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -6.626 -1.141 -9.354 1.00 0.00 H new ATOM 760 N HIS B 37 -2.449 -3.348 -7.437 1.00 0.00 N ATOM 761 CA HIS B 37 -1.193 -3.865 -6.919 1.00 0.00 C ATOM 762 C HIS B 37 -1.402 -5.240 -6.307 1.00 0.00 C ATOM 763 O HIS B 37 -0.570 -6.132 -6.463 1.00 0.00 O ATOM 764 CB HIS B 37 -0.626 -2.912 -5.876 1.00 0.00 C ATOM 765 CG HIS B 37 0.674 -3.460 -5.356 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.873 -2.792 -5.516 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.979 -4.612 -4.684 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.835 -3.544 -4.952 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.343 -4.663 -4.428 1.00 0.00 N ATOM 0 H HIS B 37 -2.761 -2.477 -7.008 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.485 -3.951 -7.743 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.469 -1.927 -6.314 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.335 -2.787 -5.057 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.265 -5.369 -4.395 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.880 -3.272 -4.928 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.856 -5.399 -3.943 1.00 0.00 H new ATOM 777 N LEU B 38 -2.506 -5.404 -5.597 1.00 0.00 N ATOM 778 CA LEU B 38 -2.802 -6.675 -4.955 1.00 0.00 C ATOM 779 C LEU B 38 -2.928 -7.785 -5.978 1.00 0.00 C ATOM 780 O LEU B 38 -2.471 -8.896 -5.743 1.00 0.00 O ATOM 781 CB LEU B 38 -4.106 -6.565 -4.134 1.00 0.00 C ATOM 782 CG LEU B 38 -3.802 -6.082 -2.707 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.107 -5.675 -2.016 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.122 -7.212 -1.900 1.00 0.00 C ATOM 0 H LEU B 38 -3.208 -4.679 -5.451 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.976 -6.917 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.792 -5.872 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.604 -7.534 -4.098 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.131 -5.224 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.891 -5.332 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.581 -4.870 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.779 -6.532 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.910 -6.861 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.786 -8.075 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.190 -7.497 -2.388 1.00 0.00 H new ATOM 796 N ILE B 39 -3.551 -7.490 -7.095 1.00 0.00 N ATOM 797 CA ILE B 39 -3.733 -8.500 -8.125 1.00 0.00 C ATOM 798 C ILE B 39 -2.377 -8.993 -8.627 1.00 0.00 C ATOM 799 O ILE B 39 -2.164 -10.196 -8.788 1.00 0.00 O ATOM 800 CB ILE B 39 -4.528 -7.899 -9.289 1.00 0.00 C ATOM 801 CG1 ILE B 39 -5.958 -7.602 -8.827 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.564 -8.888 -10.457 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.688 -6.790 -9.901 1.00 0.00 C ATOM 0 H ILE B 39 -3.938 -6.573 -7.317 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.279 -9.345 -7.705 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.049 -6.976 -9.615 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.490 -8.534 -8.637 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -5.940 -7.048 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.130 -8.456 -11.282 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.547 -9.099 -10.786 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.041 -9.814 -10.135 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.705 -6.580 -9.570 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.160 -5.851 -10.069 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.719 -7.360 -10.830 1.00 0.00 H new ATOM 815 N LEU B 40 -1.466 -8.060 -8.874 1.00 0.00 N ATOM 816 CA LEU B 40 -0.137 -8.419 -9.359 1.00 0.00 C ATOM 817 C LEU B 40 0.691 -9.050 -8.249 1.00 0.00 C ATOM 818 O LEU B 40 1.376 -10.050 -8.459 1.00 0.00 O ATOM 819 CB LEU B 40 0.571 -7.174 -9.889 1.00 0.00 C ATOM 820 CG LEU B 40 -0.169 -6.646 -11.127 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.423 -5.294 -11.535 1.00 0.00 C ATOM 822 CD2 LEU B 40 -0.041 -7.645 -12.300 1.00 0.00 C ATOM 0 H LEU B 40 -1.619 -7.059 -8.749 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.246 -9.147 -10.163 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.603 -6.405 -9.117 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.604 -7.412 -10.144 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.225 -6.527 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.101 -4.918 -12.414 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.311 -4.585 -10.714 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.481 -5.415 -11.768 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.571 -7.255 -13.169 1.00 0.00 H new ATOM 0 HD22 LEU B 40 1.012 -7.782 -12.548 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -0.473 -8.603 -12.011 1.00 0.00 H new ATOM 834 N TRP B 41 0.631 -8.446 -7.069 1.00 0.00 N ATOM 835 CA TRP B 41 1.380 -8.946 -5.927 1.00 0.00 C ATOM 836 C TRP B 41 0.870 -10.315 -5.507 1.00 0.00 C ATOM 837 O TRP B 41 1.640 -11.169 -5.070 1.00 0.00 O ATOM 838 CB TRP B 41 1.313 -7.950 -4.763 1.00 0.00 C ATOM 839 CG TRP B 41 1.926 -8.564 -3.548 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.255 -8.632 -3.292 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.260 -9.140 -2.388 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.439 -9.264 -2.075 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.240 -9.584 -1.481 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.088 -9.326 -2.044 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.898 -10.195 -0.281 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.438 -9.934 -0.827 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.555 -10.365 0.052 1.00 0.00 C ATOM 0 H TRP B 41 0.074 -7.613 -6.880 1.00 0.00 H new ATOM 0 HA TRP B 41 2.425 -9.054 -6.219 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.839 -7.032 -5.025 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.277 -7.677 -4.563 1.00 0.00 H new ATOM 0 HD1 TRP B 41 4.040 -8.256 -3.931 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.352 -9.468 -1.668 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.863 -8.999 -2.721 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.670 -10.537 0.392 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.479 -10.068 -0.571 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.284 -10.829 0.989 1.00 0.00 H new ATOM 858 N ILE B 42 -0.429 -10.514 -5.628 1.00 0.00 N ATOM 859 CA ILE B 42 -1.027 -11.780 -5.249 1.00 0.00 C ATOM 860 C ILE B 42 -0.503 -12.900 -6.135 1.00 0.00 C ATOM 861 O ILE B 42 -0.177 -13.985 -5.653 1.00 0.00 O ATOM 862 CB ILE B 42 -2.567 -11.691 -5.361 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.143 -10.960 -4.123 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.178 -13.103 -5.464 1.00 0.00 C ATOM 865 CD1 ILE B 42 -3.351 -11.950 -2.968 1.00 0.00 C ATOM 0 H ILE B 42 -1.087 -9.820 -5.983 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.757 -11.999 -4.216 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.821 -11.131 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.464 -10.166 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.091 -10.486 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.262 -13.025 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.785 -13.606 -6.348 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -2.919 -13.677 -4.575 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.756 -11.422 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.048 -12.729 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.396 -12.403 -2.701 1.00 0.00 H new ATOM 877 N LEU B 43 -0.448 -12.640 -7.431 1.00 0.00 N ATOM 878 CA LEU B 43 0.017 -13.644 -8.375 1.00 0.00 C ATOM 879 C LEU B 43 1.458 -14.023 -8.085 1.00 0.00 C ATOM 880 O LEU B 43 1.823 -15.197 -8.146 1.00 0.00 O ATOM 881 CB LEU B 43 -0.096 -13.102 -9.800 1.00 0.00 C ATOM 882 CG LEU B 43 -1.576 -12.972 -10.193 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.691 -12.127 -11.465 1.00 0.00 C ATOM 884 CD2 LEU B 43 -2.195 -14.366 -10.443 1.00 0.00 C ATOM 0 H LEU B 43 -0.717 -11.750 -7.851 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.605 -14.533 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.395 -12.131 -9.869 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.417 -13.768 -10.494 1.00 0.00 H new ATOM 0 HG LEU B 43 -2.116 -12.491 -9.377 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.740 -12.033 -11.746 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.274 -11.136 -11.283 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.141 -12.609 -12.273 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.243 -14.254 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.657 -14.863 -11.250 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.122 -14.965 -9.535 1.00 0.00 H new ATOM 896 N ASP B 44 2.271 -13.026 -7.769 1.00 0.00 N ATOM 897 CA ASP B 44 3.677 -13.270 -7.473 1.00 0.00 C ATOM 898 C ASP B 44 3.818 -14.246 -6.310 1.00 0.00 C ATOM 899 O ASP B 44 4.617 -15.180 -6.367 1.00 0.00 O ATOM 900 CB ASP B 44 4.368 -11.953 -7.118 1.00 0.00 C ATOM 901 CG ASP B 44 5.838 -12.203 -6.801 1.00 0.00 C ATOM 902 OD1 ASP B 44 6.234 -13.358 -6.795 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.545 -11.238 -6.562 1.00 0.00 O ATOM 0 H ASP B 44 1.986 -12.048 -7.711 1.00 0.00 H new ATOM 0 HA ASP B 44 4.146 -13.704 -8.356 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.281 -11.252 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.876 -11.494 -6.260 1.00 0.00 H new ATOM 1137 N VAL C 28 -2.051 13.755 -0.912 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.991 13.691 -1.908 1.00 0.00 C ATOM 1139 C VAL C 28 0.086 12.698 -1.481 1.00 0.00 C ATOM 1140 O VAL C 28 0.554 11.893 -2.283 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.364 15.073 -2.099 1.00 0.00 C ATOM 1142 CG1 VAL C 28 0.818 14.973 -3.065 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.409 16.030 -2.674 1.00 0.00 C ATOM 0 HA VAL C 28 -1.426 13.358 -2.850 1.00 0.00 H new ATOM 0 HB VAL C 28 -0.014 15.447 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.263 15.959 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.564 14.291 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.470 14.598 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.964 17.015 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.758 15.653 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -2.251 16.105 -1.986 1.00 0.00 H new ATOM 1153 N ALA C 29 0.480 12.768 -0.215 1.00 0.00 N ATOM 1154 CA ALA C 29 1.512 11.877 0.304 1.00 0.00 C ATOM 1155 C ALA C 29 1.108 10.420 0.120 1.00 0.00 C ATOM 1156 O ALA C 29 1.918 9.594 -0.293 1.00 0.00 O ATOM 1157 CB ALA C 29 1.742 12.155 1.793 1.00 0.00 C ATOM 0 H ALA C 29 0.104 13.427 0.467 1.00 0.00 H new ATOM 0 HA ALA C 29 2.432 12.061 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.514 11.486 2.173 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.061 13.189 1.925 1.00 0.00 H new ATOM 0 HB3 ALA C 29 0.815 11.988 2.342 1.00 0.00 H new ATOM 1163 N ALA C 30 -0.143 10.112 0.427 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.634 8.745 0.292 1.00 0.00 C ATOM 1165 C ALA C 30 -0.447 8.240 -1.136 1.00 0.00 C ATOM 1166 O ALA C 30 0.047 7.133 -1.351 1.00 0.00 O ATOM 1167 CB ALA C 30 -2.115 8.690 0.661 1.00 0.00 C ATOM 0 H ALA C 30 -0.833 10.782 0.768 1.00 0.00 H new ATOM 0 HA ALA C 30 -0.062 8.107 0.966 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.478 7.667 0.559 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -2.246 9.020 1.692 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.680 9.343 -0.004 1.00 0.00 H new ATOM 1173 N SER C 31 -0.849 9.055 -2.103 1.00 0.00 N ATOM 1174 CA SER C 31 -0.721 8.674 -3.507 1.00 0.00 C ATOM 1175 C SER C 31 0.742 8.493 -3.886 1.00 0.00 C ATOM 1176 O SER C 31 1.092 7.569 -4.621 1.00 0.00 O ATOM 1177 CB SER C 31 -1.347 9.746 -4.393 1.00 0.00 C ATOM 1178 OG SER C 31 -0.695 10.988 -4.161 1.00 0.00 O ATOM 0 H SER C 31 -1.262 9.974 -1.946 1.00 0.00 H new ATOM 0 HA SER C 31 -1.240 7.727 -3.654 1.00 0.00 H new ATOM 0 HB2 SER C 31 -1.256 9.465 -5.442 1.00 0.00 H new ATOM 0 HB3 SER C 31 -2.412 9.836 -4.178 1.00 0.00 H new ATOM 0 HG SER C 31 -0.307 10.991 -3.261 1.00 0.00 H new ATOM 1184 N ILE C 32 1.591 9.378 -3.384 1.00 0.00 N ATOM 1185 CA ILE C 32 3.015 9.305 -3.676 1.00 0.00 C ATOM 1186 C ILE C 32 3.608 8.020 -3.118 1.00 0.00 C ATOM 1187 O ILE C 32 4.399 7.361 -3.774 1.00 0.00 O ATOM 1188 CB ILE C 32 3.746 10.512 -3.073 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.328 11.783 -3.817 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.263 10.322 -3.200 1.00 0.00 C ATOM 1191 CD1 ILE C 32 3.873 13.007 -3.081 1.00 0.00 C ATOM 0 H ILE C 32 1.321 10.151 -2.776 1.00 0.00 H new ATOM 0 HA ILE C 32 3.141 9.314 -4.759 1.00 0.00 H new ATOM 0 HB ILE C 32 3.484 10.600 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.708 11.761 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.241 11.838 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.775 11.183 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.562 9.419 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.531 10.229 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.576 13.912 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.472 13.031 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE C 32 4.961 12.952 -3.039 1.00 0.00 H new ATOM 1203 N ILE C 33 3.231 7.671 -1.903 1.00 0.00 N ATOM 1204 CA ILE C 33 3.764 6.466 -1.278 1.00 0.00 C ATOM 1205 C ILE C 33 3.476 5.238 -2.132 1.00 0.00 C ATOM 1206 O ILE C 33 4.348 4.387 -2.317 1.00 0.00 O ATOM 1207 CB ILE C 33 3.134 6.283 0.111 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.673 7.352 1.067 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.460 4.886 0.661 1.00 0.00 C ATOM 1210 CD1 ILE C 33 2.831 7.365 2.350 1.00 0.00 C ATOM 0 H ILE C 33 2.567 8.194 -1.332 1.00 0.00 H new ATOM 0 HA ILE C 33 4.844 6.577 -1.183 1.00 0.00 H new ATOM 0 HB ILE C 33 2.052 6.386 0.025 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.717 7.148 1.307 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.642 8.331 0.589 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.008 4.768 1.646 1.00 0.00 H new ATOM 0 HG22 ILE C 33 3.063 4.128 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.541 4.770 0.741 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.215 8.126 3.030 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.794 7.590 2.102 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.885 6.388 2.831 1.00 0.00 H new ATOM 1222 N GLY C 34 2.263 5.138 -2.632 1.00 0.00 N ATOM 1223 CA GLY C 34 1.883 3.998 -3.451 1.00 0.00 C ATOM 1224 C GLY C 34 2.571 4.032 -4.812 1.00 0.00 C ATOM 1225 O GLY C 34 3.082 3.013 -5.283 1.00 0.00 O ATOM 0 H GLY C 34 1.524 5.826 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY C 34 2.143 3.074 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.802 3.992 -3.589 1.00 0.00 H new ATOM 1229 N ILE C 35 2.554 5.194 -5.451 1.00 0.00 N ATOM 1230 CA ILE C 35 3.165 5.336 -6.767 1.00 0.00 C ATOM 1231 C ILE C 35 4.670 5.085 -6.711 1.00 0.00 C ATOM 1232 O ILE C 35 5.212 4.310 -7.501 1.00 0.00 O ATOM 1233 CB ILE C 35 2.897 6.744 -7.312 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.398 6.910 -7.577 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.671 6.947 -8.619 1.00 0.00 C ATOM 1236 CD1 ILE C 35 1.082 8.388 -7.826 1.00 0.00 C ATOM 0 H ILE C 35 2.128 6.045 -5.084 1.00 0.00 H new ATOM 0 HA ILE C 35 2.721 4.592 -7.429 1.00 0.00 H new ATOM 0 HB ILE C 35 3.223 7.483 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE C 35 1.103 6.314 -8.440 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.825 6.543 -6.725 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.479 7.948 -9.004 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.738 6.829 -8.432 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.347 6.208 -9.352 1.00 0.00 H new ATOM 0 HD11 ILE C 35 0.015 8.505 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.362 8.973 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.644 8.739 -8.691 1.00 0.00 H new ATOM 1248 N LEU C 36 5.341 5.749 -5.783 1.00 0.00 N ATOM 1249 CA LEU C 36 6.786 5.597 -5.645 1.00 0.00 C ATOM 1250 C LEU C 36 7.152 4.176 -5.258 1.00 0.00 C ATOM 1251 O LEU C 36 8.108 3.610 -5.788 1.00 0.00 O ATOM 1252 CB LEU C 36 7.315 6.587 -4.590 1.00 0.00 C ATOM 1253 CG LEU C 36 7.621 7.948 -5.249 1.00 0.00 C ATOM 1254 CD1 LEU C 36 8.891 7.837 -6.133 1.00 0.00 C ATOM 1255 CD2 LEU C 36 6.421 8.407 -6.113 1.00 0.00 C ATOM 0 H LEU C 36 4.915 6.394 -5.118 1.00 0.00 H new ATOM 0 HA LEU C 36 7.248 5.813 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.578 6.715 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU C 36 8.216 6.188 -4.125 1.00 0.00 H new ATOM 0 HG LEU C 36 7.794 8.684 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.099 8.803 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.739 7.539 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.729 7.091 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU C 36 6.650 9.369 -6.572 1.00 0.00 H new ATOM 0 HD22 LEU C 36 6.230 7.669 -6.892 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.537 8.507 -5.484 1.00 0.00 H new ATOM 1267 N HIS C 37 6.394 3.615 -4.337 1.00 0.00 N ATOM 1268 CA HIS C 37 6.650 2.260 -3.880 1.00 0.00 C ATOM 1269 C HIS C 37 6.535 1.281 -5.036 1.00 0.00 C ATOM 1270 O HIS C 37 7.319 0.337 -5.144 1.00 0.00 O ATOM 1271 CB HIS C 37 5.666 1.885 -2.780 1.00 0.00 C ATOM 1272 CG HIS C 37 5.952 0.486 -2.315 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.362 0.206 -1.028 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.897 -0.720 -2.958 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.537 -1.125 -0.937 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.264 -1.738 -2.086 1.00 0.00 N ATOM 0 H HIS C 37 5.599 4.072 -3.891 1.00 0.00 H new ATOM 0 HA HIS C 37 7.663 2.213 -3.482 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.751 2.582 -1.947 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.644 1.955 -3.151 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.611 -0.860 -3.990 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.860 -1.634 -0.041 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.313 -2.737 -2.284 1.00 0.00 H new ATOM 1284 N LEU C 38 5.548 1.497 -5.891 1.00 0.00 N ATOM 1285 CA LEU C 38 5.336 0.616 -7.027 1.00 0.00 C ATOM 1286 C LEU C 38 6.539 0.619 -7.948 1.00 0.00 C ATOM 1287 O LEU C 38 6.917 -0.420 -8.473 1.00 0.00 O ATOM 1288 CB LEU C 38 4.075 1.051 -7.806 1.00 0.00 C ATOM 1289 CG LEU C 38 2.826 0.366 -7.230 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.568 1.034 -7.790 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.823 -1.134 -7.609 1.00 0.00 C ATOM 0 H LEU C 38 4.885 2.269 -5.821 1.00 0.00 H new ATOM 0 HA LEU C 38 5.195 -0.397 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.962 2.134 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU C 38 4.185 0.795 -8.860 1.00 0.00 H new ATOM 0 HG LEU C 38 2.838 0.462 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.684 0.546 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.562 2.088 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.561 0.944 -8.876 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.934 -1.612 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.819 -1.235 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.714 -1.614 -7.203 1.00 0.00 H new ATOM 1303 N ILE C 39 7.124 1.778 -8.151 1.00 0.00 N ATOM 1304 CA ILE C 39 8.274 1.875 -9.035 1.00 0.00 C ATOM 1305 C ILE C 39 9.424 1.020 -8.505 1.00 0.00 C ATOM 1306 O ILE C 39 10.066 0.290 -9.262 1.00 0.00 O ATOM 1307 CB ILE C 39 8.719 3.339 -9.130 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.641 4.150 -9.856 1.00 0.00 C ATOM 1309 CG2 ILE C 39 10.037 3.431 -9.903 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.963 5.644 -9.750 1.00 0.00 C ATOM 0 H ILE C 39 6.831 2.657 -7.725 1.00 0.00 H new ATOM 0 HA ILE C 39 7.995 1.511 -10.024 1.00 0.00 H new ATOM 0 HB ILE C 39 8.864 3.739 -8.127 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.591 3.852 -10.903 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.663 3.947 -9.420 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.349 4.473 -9.968 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.803 2.854 -9.385 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.898 3.031 -10.907 1.00 0.00 H new ATOM 0 HD11 ILE C 39 7.195 6.219 -10.267 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.991 5.937 -8.700 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.933 5.840 -10.207 1.00 0.00 H new ATOM 1322 N LEU C 40 9.677 1.115 -7.207 1.00 0.00 N ATOM 1323 CA LEU C 40 10.754 0.342 -6.594 1.00 0.00 C ATOM 1324 C LEU C 40 10.376 -1.129 -6.502 1.00 0.00 C ATOM 1325 O LEU C 40 11.183 -2.010 -6.796 1.00 0.00 O ATOM 1326 CB LEU C 40 11.049 0.888 -5.198 1.00 0.00 C ATOM 1327 CG LEU C 40 11.596 2.319 -5.308 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.702 2.932 -3.908 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.988 2.316 -5.981 1.00 0.00 C ATOM 0 H LEU C 40 9.159 1.712 -6.562 1.00 0.00 H new ATOM 0 HA LEU C 40 11.644 0.432 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.141 0.881 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.773 0.249 -4.692 1.00 0.00 H new ATOM 0 HG LEU C 40 10.915 2.911 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU C 40 12.090 3.948 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.716 2.954 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.376 2.331 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU C 40 13.361 3.338 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.678 1.718 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.908 1.890 -6.981 1.00 0.00 H new ATOM 1341 N TRP C 41 9.145 -1.384 -6.079 1.00 0.00 N ATOM 1342 CA TRP C 41 8.662 -2.747 -5.941 1.00 0.00 C ATOM 1343 C TRP C 41 8.584 -3.431 -7.296 1.00 0.00 C ATOM 1344 O TRP C 41 8.836 -4.632 -7.412 1.00 0.00 O ATOM 1345 CB TRP C 41 7.300 -2.767 -5.233 1.00 0.00 C ATOM 1346 CG TRP C 41 6.743 -4.154 -5.267 1.00 0.00 C ATOM 1347 CD1 TRP C 41 7.093 -5.159 -4.427 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.697 -4.691 -6.126 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.365 -6.288 -4.760 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.487 -6.043 -5.791 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.923 -4.142 -7.160 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.551 -6.822 -6.461 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.968 -4.925 -7.831 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.783 -6.260 -7.479 1.00 0.00 C ATOM 0 H TRP C 41 8.466 -0.666 -5.827 1.00 0.00 H new ATOM 0 HA TRP C 41 9.371 -3.303 -5.327 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.409 -2.432 -4.201 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.614 -2.076 -5.722 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.819 -5.090 -3.631 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.467 -7.191 -4.298 1.00 0.00 H new ATOM 0 HE3 TRP C 41 5.062 -3.109 -7.443 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.419 -7.860 -6.193 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.375 -4.490 -8.622 1.00 0.00 H new ATOM 0 HH2 TRP C 41 3.046 -6.858 -7.994 1.00 0.00 H new ATOM 1365 N ILE C 42 8.223 -2.671 -8.310 1.00 0.00 N ATOM 1366 CA ILE C 42 8.108 -3.220 -9.648 1.00 0.00 C ATOM 1367 C ILE C 42 9.463 -3.703 -10.143 1.00 0.00 C ATOM 1368 O ILE C 42 9.573 -4.781 -10.728 1.00 0.00 O ATOM 1369 CB ILE C 42 7.542 -2.151 -10.610 1.00 0.00 C ATOM 1370 CG1 ILE C 42 6.006 -2.045 -10.434 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.874 -2.515 -12.070 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.296 -3.098 -11.298 1.00 0.00 C ATOM 0 H ILE C 42 8.005 -1.677 -8.235 1.00 0.00 H new ATOM 0 HA ILE C 42 7.426 -4.070 -9.619 1.00 0.00 H new ATOM 0 HB ILE C 42 8.000 -1.190 -10.374 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.743 -2.187 -9.386 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.669 -1.047 -10.715 1.00 0.00 H new ATOM 0 HG21 ILE C 42 7.469 -1.753 -12.736 1.00 0.00 H new ATOM 0 HG22 ILE C 42 8.956 -2.568 -12.195 1.00 0.00 H new ATOM 0 HG23 ILE C 42 7.433 -3.481 -12.313 1.00 0.00 H new ATOM 0 HD11 ILE C 42 4.218 -3.012 -11.164 1.00 0.00 H new ATOM 0 HD12 ILE C 42 5.546 -2.937 -12.347 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.620 -4.094 -10.997 1.00 0.00 H new ATOM 1384 N LEU C 43 10.485 -2.891 -9.925 1.00 0.00 N ATOM 1385 CA LEU C 43 11.823 -3.237 -10.371 1.00 0.00 C ATOM 1386 C LEU C 43 12.302 -4.510 -9.692 1.00 0.00 C ATOM 1387 O LEU C 43 12.916 -5.367 -10.327 1.00 0.00 O ATOM 1388 CB LEU C 43 12.788 -2.092 -10.055 1.00 0.00 C ATOM 1389 CG LEU C 43 12.474 -0.885 -10.952 1.00 0.00 C ATOM 1390 CD1 LEU C 43 13.204 0.350 -10.414 1.00 0.00 C ATOM 1391 CD2 LEU C 43 12.925 -1.160 -12.406 1.00 0.00 C ATOM 0 H LEU C 43 10.414 -1.994 -9.445 1.00 0.00 H new ATOM 0 HA LEU C 43 11.796 -3.404 -11.448 1.00 0.00 H new ATOM 0 HB2 LEU C 43 12.701 -1.810 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU C 43 13.816 -2.417 -10.213 1.00 0.00 H new ATOM 0 HG LEU C 43 11.398 -0.711 -10.947 1.00 0.00 H new ATOM 0 HD11 LEU C 43 12.983 1.208 -11.049 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.871 0.555 -9.397 1.00 0.00 H new ATOM 0 HD13 LEU C 43 14.278 0.166 -10.413 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.695 -0.295 -13.028 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.999 -1.345 -12.425 1.00 0.00 H new ATOM 0 HD23 LEU C 43 12.399 -2.034 -12.791 1.00 0.00 H new ATOM 1403 N ASP C 44 12.015 -4.626 -8.405 1.00 0.00 N ATOM 1404 CA ASP C 44 12.425 -5.800 -7.648 1.00 0.00 C ATOM 1405 C ASP C 44 11.847 -7.066 -8.270 1.00 0.00 C ATOM 1406 O ASP C 44 12.549 -8.064 -8.435 1.00 0.00 O ATOM 1407 CB ASP C 44 11.944 -5.680 -6.201 1.00 0.00 C ATOM 1408 CG ASP C 44 12.353 -6.919 -5.408 1.00 0.00 C ATOM 1409 OD1 ASP C 44 12.900 -7.830 -6.007 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.108 -6.939 -4.214 1.00 0.00 O ATOM 0 H ASP C 44 11.504 -3.928 -7.865 1.00 0.00 H new ATOM 0 HA ASP C 44 13.513 -5.861 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP C 44 12.369 -4.788 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP C 44 10.860 -5.565 -6.178 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.401 8.826 7.893 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.433 9.514 7.055 1.00 0.00 C ATOM 1630 C VAL D 27 -5.019 9.318 7.596 1.00 0.00 C ATOM 1631 O VAL D 27 -4.101 8.969 6.853 1.00 0.00 O ATOM 1632 CB VAL D 27 -6.759 11.009 7.012 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -5.663 11.754 6.245 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.109 11.223 6.315 1.00 0.00 C ATOM 0 HA VAL D 27 -6.486 9.096 6.050 1.00 0.00 H new ATOM 0 HB VAL D 27 -6.813 11.394 8.030 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -5.898 12.818 6.216 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -4.705 11.607 6.745 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -5.604 11.368 5.227 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -8.339 12.288 6.286 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.059 10.835 5.298 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -8.890 10.698 6.866 1.00 0.00 H new ATOM 1644 N VAL D 28 -4.852 9.547 8.895 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.546 9.397 9.521 1.00 0.00 C ATOM 1646 C VAL D 28 -3.106 7.934 9.502 1.00 0.00 C ATOM 1647 O VAL D 28 -1.959 7.626 9.182 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.597 9.898 10.964 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.257 9.628 11.649 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -3.879 11.401 10.971 1.00 0.00 C ATOM 0 H VAL D 28 -5.598 9.834 9.528 1.00 0.00 H new ATOM 0 HA VAL D 28 -2.825 9.989 8.957 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.389 9.376 11.501 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.296 9.986 12.678 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.056 8.557 11.645 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.463 10.148 11.113 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -3.916 11.760 12.000 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.087 11.922 10.433 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -4.836 11.594 10.485 1.00 0.00 H new ATOM 1660 N ALA D 29 -4.023 7.042 9.853 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.717 5.616 9.883 1.00 0.00 C ATOM 1662 C ALA D 29 -3.232 5.144 8.519 1.00 0.00 C ATOM 1663 O ALA D 29 -2.254 4.408 8.423 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.960 4.821 10.284 1.00 0.00 C ATOM 0 H ALA D 29 -4.979 7.277 10.119 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.928 5.451 10.616 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.721 3.758 10.303 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -5.290 5.137 11.274 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.756 5.001 9.561 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.919 5.572 7.470 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.548 5.178 6.116 1.00 0.00 C ATOM 1672 C ALA D 30 -2.098 5.551 5.821 1.00 0.00 C ATOM 1673 O ALA D 30 -1.328 4.734 5.312 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.467 5.863 5.106 1.00 0.00 C ATOM 0 H ALA D 30 -4.730 6.187 7.527 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.654 4.096 6.033 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.185 5.565 4.096 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.499 5.569 5.296 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.374 6.945 5.204 1.00 0.00 H new ATOM 1680 N SER D 31 -1.732 6.787 6.139 1.00 0.00 N ATOM 1681 CA SER D 31 -0.372 7.254 5.902 1.00 0.00 C ATOM 1682 C SER D 31 0.629 6.452 6.723 1.00 0.00 C ATOM 1683 O SER D 31 1.707 6.107 6.240 1.00 0.00 O ATOM 1684 CB SER D 31 -0.261 8.729 6.263 1.00 0.00 C ATOM 1685 OG SER D 31 -0.621 8.910 7.627 1.00 0.00 O ATOM 0 H SER D 31 -2.353 7.479 6.558 1.00 0.00 H new ATOM 0 HA SER D 31 -0.143 7.117 4.845 1.00 0.00 H new ATOM 0 HB2 SER D 31 0.757 9.080 6.094 1.00 0.00 H new ATOM 0 HB3 SER D 31 -0.913 9.322 5.622 1.00 0.00 H new ATOM 0 HG SER D 31 -1.263 8.218 7.891 1.00 0.00 H new ATOM 1691 N ILE D 32 0.265 6.157 7.963 1.00 0.00 N ATOM 1692 CA ILE D 32 1.138 5.392 8.841 1.00 0.00 C ATOM 1693 C ILE D 32 1.359 3.992 8.287 1.00 0.00 C ATOM 1694 O ILE D 32 2.471 3.485 8.295 1.00 0.00 O ATOM 1695 CB ILE D 32 0.528 5.296 10.245 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.545 6.679 10.903 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.338 4.314 11.103 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.269 6.639 12.198 1.00 0.00 C ATOM 0 H ILE D 32 -0.623 6.434 8.381 1.00 0.00 H new ATOM 0 HA ILE D 32 2.097 5.906 8.899 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.499 4.939 10.165 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.571 6.980 11.115 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.129 7.422 10.223 1.00 0.00 H new ATOM 0 HG21 ILE D 32 0.898 4.252 12.098 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.325 3.328 10.638 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.367 4.664 11.183 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.257 7.623 12.666 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.298 6.357 11.973 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.167 5.908 12.879 1.00 0.00 H new ATOM 1710 N ILE D 33 0.298 3.365 7.817 1.00 0.00 N ATOM 1711 CA ILE D 33 0.409 2.012 7.286 1.00 0.00 C ATOM 1712 C ILE D 33 1.424 1.954 6.151 1.00 0.00 C ATOM 1713 O ILE D 33 2.235 1.032 6.084 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.961 1.544 6.775 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.902 1.304 7.961 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.809 0.245 5.965 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -3.336 1.133 7.450 1.00 0.00 C ATOM 0 H ILE D 33 -0.642 3.761 7.790 1.00 0.00 H new ATOM 0 HA ILE D 33 0.748 1.355 8.087 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.380 2.317 6.131 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.592 0.415 8.510 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.850 2.142 8.656 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.787 -0.078 5.608 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.152 0.422 5.114 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.380 -0.531 6.599 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -4.005 0.962 8.294 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.643 2.034 6.920 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -3.382 0.280 6.773 1.00 0.00 H new ATOM 1729 N GLY D 34 1.367 2.923 5.260 1.00 0.00 N ATOM 1730 CA GLY D 34 2.285 2.956 4.134 1.00 0.00 C ATOM 1731 C GLY D 34 3.706 3.288 4.575 1.00 0.00 C ATOM 1732 O GLY D 34 4.665 2.646 4.141 1.00 0.00 O ATOM 0 H GLY D 34 0.700 3.694 5.291 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.277 1.990 3.629 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.946 3.697 3.410 1.00 0.00 H new ATOM 1736 N ILE D 35 3.839 4.308 5.414 1.00 0.00 N ATOM 1737 CA ILE D 35 5.153 4.726 5.886 1.00 0.00 C ATOM 1738 C ILE D 35 5.827 3.620 6.696 1.00 0.00 C ATOM 1739 O ILE D 35 6.983 3.272 6.451 1.00 0.00 O ATOM 1740 CB ILE D 35 5.016 5.985 6.749 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.547 7.152 5.874 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.372 6.331 7.373 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.112 8.317 6.766 1.00 0.00 C ATOM 0 H ILE D 35 3.060 4.857 5.779 1.00 0.00 H new ATOM 0 HA ILE D 35 5.774 4.940 5.016 1.00 0.00 H new ATOM 0 HB ILE D 35 4.289 5.804 7.540 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.352 7.469 5.210 1.00 0.00 H new ATOM 0 HG13 ILE D 35 3.718 6.835 5.241 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.272 7.227 7.986 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.709 5.501 7.994 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.101 6.512 6.583 1.00 0.00 H new ATOM 0 HD11 ILE D 35 3.778 9.147 6.143 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.294 7.996 7.411 1.00 0.00 H new ATOM 0 HD13 ILE D 35 4.953 8.639 7.380 1.00 0.00 H new ATOM 1755 N LEU D 36 5.107 3.081 7.666 1.00 0.00 N ATOM 1756 CA LEU D 36 5.655 2.026 8.513 1.00 0.00 C ATOM 1757 C LEU D 36 5.971 0.782 7.705 1.00 0.00 C ATOM 1758 O LEU D 36 7.019 0.164 7.894 1.00 0.00 O ATOM 1759 CB LEU D 36 4.654 1.690 9.635 1.00 0.00 C ATOM 1760 CG LEU D 36 4.867 2.632 10.837 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.181 2.265 11.574 1.00 0.00 C ATOM 1762 CD2 LEU D 36 4.930 4.103 10.359 1.00 0.00 C ATOM 0 H LEU D 36 4.149 3.351 7.888 1.00 0.00 H new ATOM 0 HA LEU D 36 6.586 2.386 8.952 1.00 0.00 H new ATOM 0 HB2 LEU D 36 3.634 1.787 9.264 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.782 0.654 9.948 1.00 0.00 H new ATOM 0 HG LEU D 36 4.028 2.517 11.523 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.323 2.936 12.421 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.123 1.237 11.931 1.00 0.00 H new ATOM 0 HD13 LEU D 36 7.023 2.364 10.888 1.00 0.00 H new ATOM 0 HD21 LEU D 36 5.081 4.758 11.217 1.00 0.00 H new ATOM 0 HD22 LEU D 36 5.758 4.223 9.661 1.00 0.00 H new ATOM 0 HD23 LEU D 36 3.996 4.365 9.862 1.00 0.00 H new ATOM 1774 N HIS D 37 5.068 0.426 6.815 1.00 0.00 N ATOM 1775 CA HIS D 37 5.257 -0.751 5.986 1.00 0.00 C ATOM 1776 C HIS D 37 6.515 -0.606 5.147 1.00 0.00 C ATOM 1777 O HIS D 37 7.263 -1.567 4.961 1.00 0.00 O ATOM 1778 CB HIS D 37 4.049 -0.953 5.083 1.00 0.00 C ATOM 1779 CG HIS D 37 4.262 -2.176 4.236 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.441 -3.283 4.320 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.202 -2.482 3.289 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.900 -4.196 3.445 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.970 -3.757 2.789 1.00 0.00 N ATOM 0 H HIS D 37 4.198 0.931 6.646 1.00 0.00 H new ATOM 0 HA HIS D 37 5.365 -1.622 6.633 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.146 -1.065 5.683 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.904 -0.078 4.449 1.00 0.00 H new ATOM 0 HD2 HIS D 37 6.004 -1.830 2.977 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.454 -5.168 3.294 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.505 -4.250 2.074 1.00 0.00 H new ATOM 1791 N LEU D 38 6.738 0.589 4.626 1.00 0.00 N ATOM 1792 CA LEU D 38 7.904 0.835 3.795 1.00 0.00 C ATOM 1793 C LEU D 38 9.186 0.595 4.567 1.00 0.00 C ATOM 1794 O LEU D 38 10.140 0.052 4.026 1.00 0.00 O ATOM 1795 CB LEU D 38 7.876 2.284 3.260 1.00 0.00 C ATOM 1796 CG LEU D 38 7.095 2.356 1.940 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.810 3.820 1.588 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.914 1.704 0.802 1.00 0.00 C ATOM 0 H LEU D 38 6.132 1.398 4.762 1.00 0.00 H new ATOM 0 HA LEU D 38 7.875 0.139 2.957 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.416 2.941 3.998 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.894 2.641 3.107 1.00 0.00 H new ATOM 0 HG LEU D 38 6.154 1.819 2.057 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.256 3.868 0.651 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.220 4.277 2.382 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.752 4.358 1.480 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.351 1.760 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.861 2.232 0.687 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.108 0.660 1.046 1.00 0.00 H new ATOM 1810 N ILE D 39 9.209 1.007 5.814 1.00 0.00 N ATOM 1811 CA ILE D 39 10.402 0.833 6.624 1.00 0.00 C ATOM 1812 C ILE D 39 10.737 -0.652 6.763 1.00 0.00 C ATOM 1813 O ILE D 39 11.894 -1.053 6.625 1.00 0.00 O ATOM 1814 CB ILE D 39 10.168 1.441 8.010 1.00 0.00 C ATOM 1815 CG1 ILE D 39 10.040 2.962 7.884 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.344 1.100 8.930 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.583 3.553 9.220 1.00 0.00 C ATOM 0 H ILE D 39 8.428 1.460 6.289 1.00 0.00 H new ATOM 0 HA ILE D 39 11.238 1.336 6.139 1.00 0.00 H new ATOM 0 HB ILE D 39 9.251 1.032 8.434 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.997 3.394 7.592 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.325 3.213 7.101 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.173 1.535 9.915 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.432 0.017 9.021 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.264 1.505 8.509 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.493 4.635 9.127 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.616 3.130 9.493 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.314 3.315 9.992 1.00 0.00 H new ATOM 1829 N LEU D 40 9.721 -1.460 7.035 1.00 0.00 N ATOM 1830 CA LEU D 40 9.923 -2.897 7.188 1.00 0.00 C ATOM 1831 C LEU D 40 10.192 -3.554 5.841 1.00 0.00 C ATOM 1832 O LEU D 40 11.075 -4.399 5.710 1.00 0.00 O ATOM 1833 CB LEU D 40 8.691 -3.526 7.834 1.00 0.00 C ATOM 1834 CG LEU D 40 8.530 -2.991 9.265 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.190 -3.463 9.837 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.685 -3.491 10.164 1.00 0.00 C ATOM 0 H LEU D 40 8.757 -1.150 7.154 1.00 0.00 H new ATOM 0 HA LEU D 40 10.791 -3.057 7.828 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.802 -3.296 7.247 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.790 -4.611 7.850 1.00 0.00 H new ATOM 0 HG LEU D 40 8.556 -1.902 9.239 1.00 0.00 H new ATOM 0 HD11 LEU D 40 7.074 -3.084 10.852 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.377 -3.089 9.215 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.164 -4.553 9.851 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.555 -3.102 11.174 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.679 -4.581 10.191 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.636 -3.143 9.761 1.00 0.00 H new ATOM 1848 N TRP D 41 9.406 -3.164 4.843 1.00 0.00 N ATOM 1849 CA TRP D 41 9.555 -3.717 3.507 1.00 0.00 C ATOM 1850 C TRP D 41 10.893 -3.321 2.905 1.00 0.00 C ATOM 1851 O TRP D 41 11.508 -4.091 2.168 1.00 0.00 O ATOM 1852 CB TRP D 41 8.391 -3.274 2.610 1.00 0.00 C ATOM 1853 CG TRP D 41 8.661 -3.698 1.202 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.451 -4.941 0.706 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.125 -2.888 0.085 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.811 -4.950 -0.629 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.220 -3.708 -1.056 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.474 -1.535 -0.046 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.654 -3.209 -2.276 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.903 -1.026 -1.283 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.989 -1.861 -2.394 1.00 0.00 C ATOM 0 H TRP D 41 8.664 -2.471 4.936 1.00 0.00 H new ATOM 0 HA TRP D 41 9.532 -4.804 3.579 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.458 -3.715 2.962 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.271 -2.192 2.659 1.00 0.00 H new ATOM 0 HD1 TRP D 41 8.067 -5.784 1.261 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.777 -5.777 -1.225 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.412 -0.880 0.811 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.732 -3.863 -3.132 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.167 0.017 -1.373 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.314 -1.465 -3.345 1.00 0.00 H new ATOM 1872 N ILE D 42 11.332 -2.115 3.210 1.00 0.00 N ATOM 1873 CA ILE D 42 12.594 -1.625 2.683 1.00 0.00 C ATOM 1874 C ILE D 42 13.748 -2.469 3.205 1.00 0.00 C ATOM 1875 O ILE D 42 14.655 -2.830 2.456 1.00 0.00 O ATOM 1876 CB ILE D 42 12.794 -0.146 3.083 1.00 0.00 C ATOM 1877 CG1 ILE D 42 11.965 0.767 2.148 1.00 0.00 C ATOM 1878 CG2 ILE D 42 14.285 0.235 2.995 1.00 0.00 C ATOM 1879 CD1 ILE D 42 12.751 1.069 0.863 1.00 0.00 C ATOM 0 H ILE D 42 10.838 -1.459 3.816 1.00 0.00 H new ATOM 0 HA ILE D 42 12.573 -1.699 1.596 1.00 0.00 H new ATOM 0 HB ILE D 42 12.456 -0.012 4.111 1.00 0.00 H new ATOM 0 HG12 ILE D 42 11.021 0.283 1.899 1.00 0.00 H new ATOM 0 HG13 ILE D 42 11.721 1.698 2.660 1.00 0.00 H new ATOM 0 HG21 ILE D 42 14.411 1.280 3.280 1.00 0.00 H new ATOM 0 HG22 ILE D 42 14.862 -0.397 3.670 1.00 0.00 H new ATOM 0 HG23 ILE D 42 14.637 0.092 1.973 1.00 0.00 H new ATOM 0 HD11 ILE D 42 12.156 1.712 0.215 1.00 0.00 H new ATOM 0 HD12 ILE D 42 13.683 1.573 1.117 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.972 0.136 0.344 1.00 0.00 H new ATOM 1891 N LEU D 43 13.721 -2.757 4.496 1.00 0.00 N ATOM 1892 CA LEU D 43 14.781 -3.538 5.111 1.00 0.00 C ATOM 1893 C LEU D 43 14.849 -4.926 4.496 1.00 0.00 C ATOM 1894 O LEU D 43 15.934 -5.449 4.243 1.00 0.00 O ATOM 1895 CB LEU D 43 14.533 -3.656 6.614 1.00 0.00 C ATOM 1896 CG LEU D 43 14.737 -2.287 7.283 1.00 0.00 C ATOM 1897 CD1 LEU D 43 14.167 -2.328 8.705 1.00 0.00 C ATOM 1898 CD2 LEU D 43 16.241 -1.929 7.339 1.00 0.00 C ATOM 0 H LEU D 43 12.982 -2.464 5.135 1.00 0.00 H new ATOM 0 HA LEU D 43 15.730 -3.030 4.936 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.520 -4.014 6.798 1.00 0.00 H new ATOM 0 HB3 LEU D 43 15.214 -4.388 7.048 1.00 0.00 H new ATOM 0 HG LEU D 43 14.219 -1.527 6.697 1.00 0.00 H new ATOM 0 HD11 LEU D 43 14.310 -1.359 9.182 1.00 0.00 H new ATOM 0 HD12 LEU D 43 13.102 -2.559 8.664 1.00 0.00 H new ATOM 0 HD13 LEU D 43 14.683 -3.096 9.282 1.00 0.00 H new ATOM 0 HD21 LEU D 43 16.366 -0.957 7.816 1.00 0.00 H new ATOM 0 HD22 LEU D 43 16.774 -2.686 7.914 1.00 0.00 H new ATOM 0 HD23 LEU D 43 16.644 -1.891 6.327 1.00 0.00 H new ATOM 1910 N ASP D 44 13.686 -5.515 4.258 1.00 0.00 N ATOM 1911 CA ASP D 44 13.627 -6.847 3.674 1.00 0.00 C ATOM 1912 C ASP D 44 14.336 -6.873 2.323 1.00 0.00 C ATOM 1913 O ASP D 44 15.111 -7.785 2.038 1.00 0.00 O ATOM 1914 CB ASP D 44 12.168 -7.270 3.491 1.00 0.00 C ATOM 1915 CG ASP D 44 12.101 -8.656 2.854 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.148 -9.193 2.534 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.000 -9.155 2.690 1.00 0.00 O ATOM 0 H ASP D 44 12.778 -5.096 4.458 1.00 0.00 H new ATOM 0 HA ASP D 44 14.128 -7.541 4.348 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.660 -7.279 4.455 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.647 -6.547 2.863 1.00 0.00 H new