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 -32:sc= 0.731 USER MOD Single : A 37 HIS : no HD1:sc= -9.74! C(o=-9.7!,f=-12!) USER MOD Single : B 31 SER OG : rot -30:sc= 0.873 USER MOD Single : B 37 HIS : no HD1:sc= -9.56! C(o=-9.6!,f=-11!) USER MOD Single : C 31 SER OG : rot -35:sc= 0.817 USER MOD Single : C 37 HIS : no HD1:sc= -9.91! C(o=-9.9!,f=-12!) USER MOD Single : D 31 SER OG : rot -25:sc= 0.756 USER MOD Single : D 37 HIS : no HD1:sc= -9.95! C(o=-9.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -12.925 4.982 1.411 1.00 0.00 N ATOM 108 CA VAL A 27 -12.177 5.310 2.619 1.00 0.00 C ATOM 109 C VAL A 27 -12.091 4.096 3.542 1.00 0.00 C ATOM 110 O VAL A 27 -11.018 3.760 4.048 1.00 0.00 O ATOM 111 CB VAL A 27 -12.859 6.468 3.354 1.00 0.00 C ATOM 112 CG1 VAL A 27 -12.147 6.722 4.685 1.00 0.00 C ATOM 113 CG2 VAL A 27 -12.790 7.730 2.489 1.00 0.00 C ATOM 0 HA VAL A 27 -11.168 5.605 2.333 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.901 6.213 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.634 7.546 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.196 5.824 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.104 6.977 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.275 8.555 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.747 7.984 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.299 7.550 1.542 1.00 0.00 H new ATOM 123 N VAL A 28 -13.228 3.441 3.754 1.00 0.00 N ATOM 124 CA VAL A 28 -13.272 2.267 4.615 1.00 0.00 C ATOM 125 C VAL A 28 -12.439 1.138 4.018 1.00 0.00 C ATOM 126 O VAL A 28 -11.678 0.475 4.724 1.00 0.00 O ATOM 127 CB VAL A 28 -14.718 1.803 4.798 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.741 0.503 5.609 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.508 2.880 5.544 1.00 0.00 C ATOM 0 H VAL A 28 -14.125 3.702 3.344 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.857 2.535 5.587 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.169 1.630 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.772 0.173 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.178 -0.266 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.290 0.676 6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.539 2.550 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -15.055 3.052 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.494 3.806 4.969 1.00 0.00 H new ATOM 139 N ALA A 29 -12.590 0.927 2.715 1.00 0.00 N ATOM 140 CA ALA A 29 -11.848 -0.124 2.032 1.00 0.00 C ATOM 141 C ALA A 29 -10.353 0.179 2.039 1.00 0.00 C ATOM 142 O ALA A 29 -9.531 -0.719 2.200 1.00 0.00 O ATOM 143 CB ALA A 29 -12.334 -0.257 0.588 1.00 0.00 C ATOM 0 H ALA A 29 -13.215 1.466 2.115 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.020 -1.061 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.773 -1.045 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.395 -0.507 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.181 0.687 0.064 1.00 0.00 H new ATOM 149 N ALA A 30 -10.009 1.448 1.864 1.00 0.00 N ATOM 150 CA ALA A 30 -8.608 1.850 1.849 1.00 0.00 C ATOM 151 C ALA A 30 -7.897 1.360 3.104 1.00 0.00 C ATOM 152 O ALA A 30 -6.825 0.758 3.025 1.00 0.00 O ATOM 153 CB ALA A 30 -8.508 3.373 1.766 1.00 0.00 C ATOM 0 H ALA A 30 -10.673 2.211 1.732 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.129 1.404 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.459 3.669 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.992 3.720 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.001 3.818 2.630 1.00 0.00 H new ATOM 159 N SER A 31 -8.497 1.619 4.259 1.00 0.00 N ATOM 160 CA SER A 31 -7.904 1.194 5.525 1.00 0.00 C ATOM 161 C SER A 31 -7.844 -0.329 5.611 1.00 0.00 C ATOM 162 O SER A 31 -6.852 -0.897 6.071 1.00 0.00 O ATOM 163 CB SER A 31 -8.730 1.734 6.690 1.00 0.00 C ATOM 164 OG SER A 31 -10.063 1.252 6.585 1.00 0.00 O ATOM 0 H SER A 31 -9.384 2.115 4.348 1.00 0.00 H new ATOM 0 HA SER A 31 -6.889 1.589 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.292 1.421 7.637 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.724 2.824 6.681 1.00 0.00 H new ATOM 0 HG SER A 31 -10.300 1.150 5.640 1.00 0.00 H new ATOM 170 N ILE A 32 -8.911 -0.982 5.163 1.00 0.00 N ATOM 171 CA ILE A 32 -8.978 -2.438 5.188 1.00 0.00 C ATOM 172 C ILE A 32 -7.908 -3.038 4.284 1.00 0.00 C ATOM 173 O ILE A 32 -7.262 -4.017 4.642 1.00 0.00 O ATOM 174 CB ILE A 32 -10.362 -2.918 4.743 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.398 -2.510 5.795 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.358 -4.446 4.601 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.805 -2.771 5.255 1.00 0.00 C ATOM 0 H ILE A 32 -9.739 -0.527 4.779 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.801 -2.769 6.211 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.612 -2.467 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.240 -3.074 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.283 -1.455 6.044 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.344 -4.785 4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.617 -4.740 3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.109 -4.900 5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.542 -2.481 6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.960 -2.187 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.917 -3.831 5.028 1.00 0.00 H new ATOM 189 N ILE A 33 -7.735 -2.450 3.109 1.00 0.00 N ATOM 190 CA ILE A 33 -6.744 -2.947 2.163 1.00 0.00 C ATOM 191 C ILE A 33 -5.343 -2.874 2.759 1.00 0.00 C ATOM 192 O ILE A 33 -4.555 -3.813 2.625 1.00 0.00 O ATOM 193 CB ILE A 33 -6.796 -2.115 0.872 1.00 0.00 C ATOM 194 CG1 ILE A 33 -8.091 -2.425 0.111 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.585 -2.438 -0.016 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.331 -1.342 -0.943 1.00 0.00 C ATOM 0 H ILE A 33 -8.261 -1.637 2.789 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.974 -3.989 1.939 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.771 -1.057 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.021 -3.403 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.932 -2.467 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.633 -1.842 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.666 -2.204 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.595 -3.497 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.251 -1.560 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.419 -0.372 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.494 -1.322 -1.641 1.00 0.00 H new ATOM 208 N GLY A 34 -5.030 -1.762 3.404 1.00 0.00 N ATOM 209 CA GLY A 34 -3.714 -1.591 4.000 1.00 0.00 C ATOM 210 C GLY A 34 -3.483 -2.590 5.129 1.00 0.00 C ATOM 211 O GLY A 34 -2.479 -3.303 5.143 1.00 0.00 O ATOM 0 H GLY A 34 -5.662 -0.971 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.947 -1.719 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.615 -0.576 4.384 1.00 0.00 H new ATOM 215 N ILE A 35 -4.415 -2.633 6.072 1.00 0.00 N ATOM 216 CA ILE A 35 -4.299 -3.546 7.202 1.00 0.00 C ATOM 217 C ILE A 35 -4.401 -4.995 6.739 1.00 0.00 C ATOM 218 O ILE A 35 -3.643 -5.851 7.187 1.00 0.00 O ATOM 219 CB ILE A 35 -5.402 -3.258 8.225 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.157 -1.888 8.859 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.391 -4.335 9.317 1.00 0.00 C ATOM 222 CD1 ILE A 35 -6.398 -1.460 9.644 1.00 0.00 C ATOM 0 H ILE A 35 -5.253 -2.052 6.078 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.324 -3.393 7.665 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.370 -3.264 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.292 -1.931 9.521 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.931 -1.153 8.086 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.177 -4.126 10.042 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.564 -5.312 8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.424 -4.333 9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.224 -0.484 10.096 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.252 -1.400 8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.603 -2.191 10.426 1.00 0.00 H new ATOM 234 N LEU A 36 -5.353 -5.266 5.860 1.00 0.00 N ATOM 235 CA LEU A 36 -5.554 -6.623 5.373 1.00 0.00 C ATOM 236 C LEU A 36 -4.318 -7.136 4.644 1.00 0.00 C ATOM 237 O LEU A 36 -3.866 -8.260 4.879 1.00 0.00 O ATOM 238 CB LEU A 36 -6.758 -6.662 4.421 1.00 0.00 C ATOM 239 CG LEU A 36 -6.979 -8.094 3.902 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.221 -9.052 5.084 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.192 -8.112 2.965 1.00 0.00 C ATOM 0 H LEU A 36 -5.993 -4.573 5.472 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.740 -7.265 6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.652 -6.313 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.590 -5.985 3.583 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.092 -8.421 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.376 -10.063 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.354 -9.040 5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.104 -8.731 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.351 -9.125 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.077 -7.781 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.012 -7.443 2.124 1.00 0.00 H new ATOM 253 N HIS A 37 -3.779 -6.314 3.761 1.00 0.00 N ATOM 254 CA HIS A 37 -2.599 -6.693 2.997 1.00 0.00 C ATOM 255 C HIS A 37 -1.424 -6.944 3.924 1.00 0.00 C ATOM 256 O HIS A 37 -0.632 -7.861 3.704 1.00 0.00 O ATOM 257 CB HIS A 37 -2.249 -5.594 1.997 1.00 0.00 C ATOM 258 CG HIS A 37 -1.039 -6.009 1.203 1.00 0.00 C ATOM 259 ND1 HIS A 37 -1.079 -6.191 -0.165 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.250 -6.285 1.578 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.151 -6.564 -0.560 1.00 0.00 C ATOM 262 NE2 HIS A 37 0.998 -6.634 0.462 1.00 0.00 N ATOM 0 H HIS A 37 -4.137 -5.382 3.554 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.817 -7.613 2.455 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.091 -5.413 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.051 -4.659 2.521 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.627 -6.238 2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.418 -6.781 -1.584 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.985 -6.889 0.433 1.00 0.00 H new ATOM 270 N LEU A 38 -1.308 -6.121 4.954 1.00 0.00 N ATOM 271 CA LEU A 38 -0.209 -6.257 5.898 1.00 0.00 C ATOM 272 C LEU A 38 -0.244 -7.603 6.597 1.00 0.00 C ATOM 273 O LEU A 38 0.795 -8.209 6.811 1.00 0.00 O ATOM 274 CB LEU A 38 -0.267 -5.126 6.942 1.00 0.00 C ATOM 275 CG LEU A 38 0.505 -3.892 6.448 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.123 -2.670 7.296 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.025 -4.142 6.555 1.00 0.00 C ATOM 0 H LEU A 38 -1.954 -5.359 5.157 1.00 0.00 H new ATOM 0 HA LEU A 38 0.724 -6.189 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.305 -4.858 7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.156 -5.472 7.885 1.00 0.00 H new ATOM 0 HG LEU A 38 0.247 -3.705 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.672 -1.797 6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.948 -2.486 7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.373 -2.859 8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.564 -3.263 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.289 -4.338 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.296 -5.003 5.944 1.00 0.00 H new ATOM 289 N ILE A 39 -1.427 -8.054 6.954 1.00 0.00 N ATOM 290 CA ILE A 39 -1.555 -9.327 7.642 1.00 0.00 C ATOM 291 C ILE A 39 -1.036 -10.457 6.755 1.00 0.00 C ATOM 292 O ILE A 39 -0.335 -11.357 7.219 1.00 0.00 O ATOM 293 CB ILE A 39 -3.023 -9.570 7.991 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.474 -8.534 9.023 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.186 -10.968 8.590 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.995 -8.587 9.169 1.00 0.00 C ATOM 0 H ILE A 39 -2.307 -7.567 6.783 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.964 -9.302 8.558 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.626 -9.486 7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.999 -8.732 9.984 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.162 -7.537 8.713 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.234 -11.138 8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.859 -11.714 7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.582 -11.049 9.494 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.316 -7.849 9.904 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.461 -8.368 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.294 -9.582 9.499 1.00 0.00 H new ATOM 308 N LEU A 40 -1.393 -10.415 5.482 1.00 0.00 N ATOM 309 CA LEU A 40 -0.947 -11.444 4.549 1.00 0.00 C ATOM 310 C LEU A 40 0.531 -11.279 4.210 1.00 0.00 C ATOM 311 O LEU A 40 1.286 -12.251 4.167 1.00 0.00 O ATOM 312 CB LEU A 40 -1.788 -11.373 3.265 1.00 0.00 C ATOM 313 CG LEU A 40 -3.106 -12.140 3.459 1.00 0.00 C ATOM 314 CD1 LEU A 40 -2.838 -13.667 3.556 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.797 -11.650 4.744 1.00 0.00 C ATOM 0 H LEU A 40 -1.983 -9.691 5.072 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.078 -12.417 5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.996 -10.333 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.230 -11.797 2.430 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.752 -11.956 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.782 -14.194 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.360 -14.011 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.184 -13.868 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.732 -12.192 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.144 -11.827 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.005 -10.583 4.661 1.00 0.00 H new ATOM 327 N TRP A 41 0.930 -10.044 3.955 1.00 0.00 N ATOM 328 CA TRP A 41 2.312 -9.764 3.600 1.00 0.00 C ATOM 329 C TRP A 41 3.253 -10.008 4.776 1.00 0.00 C ATOM 330 O TRP A 41 4.303 -10.637 4.627 1.00 0.00 O ATOM 331 CB TRP A 41 2.438 -8.318 3.110 1.00 0.00 C ATOM 332 CG TRP A 41 3.882 -7.975 2.932 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.627 -8.282 1.844 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.753 -7.233 3.830 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.912 -7.808 2.042 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.034 -7.147 3.244 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.561 -6.634 5.091 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.084 -6.495 3.882 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.620 -5.969 5.727 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.875 -5.902 5.122 1.00 0.00 C ATOM 0 H TRP A 41 0.323 -9.225 3.987 1.00 0.00 H new ATOM 0 HA TRP A 41 2.602 -10.445 2.800 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.905 -8.195 2.167 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.978 -7.638 3.827 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.277 -8.809 0.968 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.676 -7.933 1.378 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.594 -6.687 5.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.057 -6.450 3.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.463 -5.506 6.690 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.686 -5.389 5.618 1.00 0.00 H new ATOM 351 N ILE A 42 2.877 -9.500 5.935 1.00 0.00 N ATOM 352 CA ILE A 42 3.700 -9.656 7.121 1.00 0.00 C ATOM 353 C ILE A 42 3.804 -11.126 7.504 1.00 0.00 C ATOM 354 O ILE A 42 4.835 -11.578 8.004 1.00 0.00 O ATOM 355 CB ILE A 42 3.094 -8.855 8.287 1.00 0.00 C ATOM 356 CG1 ILE A 42 4.134 -8.708 9.402 1.00 0.00 C ATOM 357 CG2 ILE A 42 1.850 -9.577 8.842 1.00 0.00 C ATOM 358 CD1 ILE A 42 3.602 -7.747 10.465 1.00 0.00 C ATOM 0 H ILE A 42 2.012 -8.979 6.081 1.00 0.00 H new ATOM 0 HA ILE A 42 4.699 -9.278 6.906 1.00 0.00 H new ATOM 0 HB ILE A 42 2.801 -7.870 7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.346 -9.680 9.847 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.072 -8.333 8.993 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.432 -8.999 9.666 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.105 -9.676 8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.133 -10.567 9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.340 -7.640 11.260 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.412 -6.774 10.013 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.675 -8.141 10.881 1.00 0.00 H new ATOM 370 N LEU A 43 2.725 -11.865 7.275 1.00 0.00 N ATOM 371 CA LEU A 43 2.704 -13.278 7.610 1.00 0.00 C ATOM 372 C LEU A 43 3.772 -14.025 6.821 1.00 0.00 C ATOM 373 O LEU A 43 4.471 -14.882 7.364 1.00 0.00 O ATOM 374 CB LEU A 43 1.323 -13.878 7.304 1.00 0.00 C ATOM 375 CG LEU A 43 1.335 -15.395 7.564 1.00 0.00 C ATOM 376 CD1 LEU A 43 1.767 -15.675 9.012 1.00 0.00 C ATOM 377 CD2 LEU A 43 -0.069 -15.960 7.325 1.00 0.00 C ATOM 0 H LEU A 43 1.862 -11.511 6.862 1.00 0.00 H new ATOM 0 HA LEU A 43 2.910 -13.382 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.565 -13.401 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.054 -13.681 6.266 1.00 0.00 H new ATOM 0 HG LEU A 43 2.042 -15.873 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.773 -16.751 9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.767 -15.275 9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.068 -15.199 9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.065 -17.035 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.775 -15.479 8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.368 -15.769 6.294 1.00 0.00 H new ATOM 389 N ASP A 44 3.890 -13.697 5.541 1.00 0.00 N ATOM 390 CA ASP A 44 4.875 -14.349 4.688 1.00 0.00 C ATOM 391 C ASP A 44 6.282 -14.102 5.216 1.00 0.00 C ATOM 392 O ASP A 44 7.108 -15.014 5.260 1.00 0.00 O ATOM 393 CB ASP A 44 4.761 -13.817 3.259 1.00 0.00 C ATOM 394 CG ASP A 44 5.785 -14.501 2.361 1.00 0.00 C ATOM 395 OD1 ASP A 44 6.606 -15.238 2.882 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.735 -14.277 1.162 1.00 0.00 O ATOM 0 H ASP A 44 3.322 -12.990 5.074 1.00 0.00 H new ATOM 0 HA ASP A 44 4.681 -15.422 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.756 -13.993 2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.921 -12.739 3.250 1.00 0.00 H new ATOM 630 N VAL B 28 -9.903 8.171 -6.091 1.00 0.00 N ATOM 631 CA VAL B 28 -10.241 7.071 -6.985 1.00 0.00 C ATOM 632 C VAL B 28 -9.000 6.244 -7.302 1.00 0.00 C ATOM 633 O VAL B 28 -9.040 5.014 -7.282 1.00 0.00 O ATOM 634 CB VAL B 28 -10.845 7.614 -8.281 1.00 0.00 C ATOM 635 CG1 VAL B 28 -11.091 6.460 -9.257 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.173 8.311 -7.971 1.00 0.00 C ATOM 0 HA VAL B 28 -10.973 6.433 -6.489 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.154 8.327 -8.731 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.521 6.849 -10.180 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.146 5.963 -9.479 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.781 5.745 -8.808 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.605 8.699 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.862 7.597 -7.520 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.999 9.134 -7.278 1.00 0.00 H new ATOM 646 N ALA B 29 -7.898 6.929 -7.594 1.00 0.00 N ATOM 647 CA ALA B 29 -6.650 6.250 -7.914 1.00 0.00 C ATOM 648 C ALA B 29 -6.130 5.485 -6.703 1.00 0.00 C ATOM 649 O ALA B 29 -5.605 4.383 -6.835 1.00 0.00 O ATOM 650 CB ALA B 29 -5.600 7.266 -8.364 1.00 0.00 C ATOM 0 H ALA B 29 -7.845 7.947 -7.615 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.842 5.544 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.671 6.748 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.958 7.792 -9.249 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.421 7.984 -7.563 1.00 0.00 H new ATOM 656 N ALA B 30 -6.281 6.074 -5.526 1.00 0.00 N ATOM 657 CA ALA B 30 -5.815 5.434 -4.303 1.00 0.00 C ATOM 658 C ALA B 30 -6.399 4.034 -4.172 1.00 0.00 C ATOM 659 O ALA B 30 -5.673 3.071 -3.914 1.00 0.00 O ATOM 660 CB ALA B 30 -6.228 6.272 -3.093 1.00 0.00 C ATOM 0 H ALA B 30 -6.718 6.986 -5.391 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.728 5.358 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.878 5.790 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.787 7.266 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -7.314 6.358 -3.064 1.00 0.00 H new ATOM 666 N SER B 31 -7.710 3.922 -4.347 1.00 0.00 N ATOM 667 CA SER B 31 -8.374 2.625 -4.245 1.00 0.00 C ATOM 668 C SER B 31 -7.899 1.687 -5.350 1.00 0.00 C ATOM 669 O SER B 31 -7.674 0.498 -5.116 1.00 0.00 O ATOM 670 CB SER B 31 -9.887 2.810 -4.350 1.00 0.00 C ATOM 671 OG SER B 31 -10.199 3.426 -5.592 1.00 0.00 O ATOM 0 H SER B 31 -8.330 4.704 -4.558 1.00 0.00 H new ATOM 0 HA SER B 31 -8.123 2.184 -3.280 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.389 1.846 -4.273 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.248 3.424 -3.525 1.00 0.00 H new ATOM 0 HG SER B 31 -9.458 4.007 -5.864 1.00 0.00 H new ATOM 677 N ILE B 32 -7.746 2.230 -6.553 1.00 0.00 N ATOM 678 CA ILE B 32 -7.297 1.439 -7.692 1.00 0.00 C ATOM 679 C ILE B 32 -5.881 0.926 -7.461 1.00 0.00 C ATOM 680 O ILE B 32 -5.575 -0.224 -7.760 1.00 0.00 O ATOM 681 CB ILE B 32 -7.340 2.275 -8.975 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.798 2.583 -9.327 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.694 1.492 -10.125 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.845 3.610 -10.460 1.00 0.00 C ATOM 0 H ILE B 32 -7.926 3.212 -6.764 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.969 0.588 -7.800 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.793 3.205 -8.820 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.311 1.670 -9.629 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.321 2.968 -8.451 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.727 2.090 -11.036 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.657 1.268 -9.875 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.239 0.561 -10.283 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.883 3.829 -10.710 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.348 4.526 -10.141 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.338 3.208 -11.337 1.00 0.00 H new ATOM 696 N ILE B 33 -5.021 1.787 -6.936 1.00 0.00 N ATOM 697 CA ILE B 33 -3.638 1.403 -6.682 1.00 0.00 C ATOM 698 C ILE B 33 -3.574 0.246 -5.692 1.00 0.00 C ATOM 699 O ILE B 33 -2.811 -0.702 -5.883 1.00 0.00 O ATOM 700 CB ILE B 33 -2.862 2.605 -6.119 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.663 3.653 -7.219 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.495 2.149 -5.587 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.256 4.985 -6.585 1.00 0.00 C ATOM 0 H ILE B 33 -5.252 2.747 -6.679 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.189 1.083 -7.622 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.433 3.043 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.896 3.321 -7.918 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.583 3.776 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.954 3.008 -5.191 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.639 1.414 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.920 1.701 -6.397 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -2.114 5.732 -7.366 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -3.039 5.318 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.325 4.856 -6.033 1.00 0.00 H new ATOM 715 N GLY B 34 -4.365 0.330 -4.633 1.00 0.00 N ATOM 716 CA GLY B 34 -4.371 -0.720 -3.625 1.00 0.00 C ATOM 717 C GLY B 34 -4.877 -2.038 -4.200 1.00 0.00 C ATOM 718 O GLY B 34 -4.215 -3.071 -4.083 1.00 0.00 O ATOM 0 H GLY B 34 -5.004 1.104 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.363 -0.855 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -5.002 -0.420 -2.788 1.00 0.00 H new ATOM 722 N ILE B 35 -6.049 -1.998 -4.819 1.00 0.00 N ATOM 723 CA ILE B 35 -6.631 -3.197 -5.405 1.00 0.00 C ATOM 724 C ILE B 35 -5.789 -3.695 -6.572 1.00 0.00 C ATOM 725 O ILE B 35 -5.546 -4.891 -6.707 1.00 0.00 O ATOM 726 CB ILE B 35 -8.055 -2.904 -5.890 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.954 -2.629 -4.685 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.597 -4.113 -6.663 1.00 0.00 C ATOM 729 CD1 ILE B 35 -10.282 -2.037 -5.163 1.00 0.00 C ATOM 0 H ILE B 35 -6.612 -1.154 -4.928 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.658 -3.972 -4.639 1.00 0.00 H new ATOM 0 HB ILE B 35 -8.041 -2.033 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -9.133 -3.552 -4.133 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.461 -1.939 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.610 -3.901 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.957 -4.312 -7.522 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.610 -4.986 -6.010 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.923 -1.841 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -10.094 -1.105 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.776 -2.743 -5.831 1.00 0.00 H new ATOM 741 N LEU B 36 -5.364 -2.774 -7.424 1.00 0.00 N ATOM 742 CA LEU B 36 -4.575 -3.145 -8.589 1.00 0.00 C ATOM 743 C LEU B 36 -3.265 -3.810 -8.178 1.00 0.00 C ATOM 744 O LEU B 36 -2.890 -4.854 -8.714 1.00 0.00 O ATOM 745 CB LEU B 36 -4.268 -1.897 -9.431 1.00 0.00 C ATOM 746 CG LEU B 36 -3.435 -2.278 -10.667 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.197 -3.312 -11.517 1.00 0.00 C ATOM 748 CD2 LEU B 36 -3.158 -1.024 -11.499 1.00 0.00 C ATOM 0 H LEU B 36 -5.549 -1.775 -7.333 1.00 0.00 H new ATOM 0 HA LEU B 36 -5.156 -3.856 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.198 -1.423 -9.743 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.725 -1.168 -8.829 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.490 -2.715 -10.344 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.600 -3.576 -12.390 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.384 -4.206 -10.922 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.147 -2.887 -11.842 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.568 -1.292 -12.375 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.102 -0.583 -11.818 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.606 -0.302 -10.897 1.00 0.00 H new ATOM 760 N HIS B 37 -2.575 -3.198 -7.230 1.00 0.00 N ATOM 761 CA HIS B 37 -1.308 -3.732 -6.756 1.00 0.00 C ATOM 762 C HIS B 37 -1.502 -5.111 -6.153 1.00 0.00 C ATOM 763 O HIS B 37 -0.670 -6.003 -6.330 1.00 0.00 O ATOM 764 CB HIS B 37 -0.701 -2.795 -5.715 1.00 0.00 C ATOM 765 CG HIS B 37 0.620 -3.349 -5.255 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.814 -2.680 -5.452 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.948 -4.512 -4.609 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.794 -3.441 -4.935 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.321 -4.568 -4.408 1.00 0.00 N ATOM 0 H HIS B 37 -2.869 -2.334 -6.774 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.630 -3.814 -7.606 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.563 -1.801 -6.141 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.378 -2.688 -4.867 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.244 -5.271 -4.302 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.840 -3.170 -4.946 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.852 -5.312 -3.955 1.00 0.00 H new ATOM 777 N LEU B 38 -2.599 -5.284 -5.431 1.00 0.00 N ATOM 778 CA LEU B 38 -2.884 -6.558 -4.793 1.00 0.00 C ATOM 779 C LEU B 38 -3.025 -7.671 -5.813 1.00 0.00 C ATOM 780 O LEU B 38 -2.561 -8.778 -5.582 1.00 0.00 O ATOM 781 CB LEU B 38 -4.172 -6.455 -3.954 1.00 0.00 C ATOM 782 CG LEU B 38 -3.854 -5.977 -2.529 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.144 -5.507 -1.840 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.224 -7.129 -1.714 1.00 0.00 C ATOM 0 H LEU B 38 -3.302 -4.562 -5.273 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.043 -6.798 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.867 -5.762 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.666 -7.426 -3.916 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.148 -5.148 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.914 -5.169 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.581 -4.685 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.853 -6.333 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -3.002 -6.782 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.923 -7.964 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.303 -7.455 -2.197 1.00 0.00 H new ATOM 796 N ILE B 39 -3.669 -7.380 -6.923 1.00 0.00 N ATOM 797 CA ILE B 39 -3.865 -8.387 -7.950 1.00 0.00 C ATOM 798 C ILE B 39 -2.515 -8.867 -8.481 1.00 0.00 C ATOM 799 O ILE B 39 -2.301 -10.061 -8.687 1.00 0.00 O ATOM 800 CB ILE B 39 -4.695 -7.794 -9.091 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.106 -7.493 -8.582 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.789 -8.803 -10.238 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.851 -6.649 -9.616 1.00 0.00 C ATOM 0 H ILE B 39 -4.063 -6.464 -7.139 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.394 -9.239 -7.522 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.220 -6.879 -9.445 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.645 -8.423 -8.400 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.056 -6.962 -7.631 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.381 -8.378 -11.049 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.788 -9.035 -10.602 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.266 -9.716 -9.881 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.856 -6.434 -9.254 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.315 -5.713 -9.776 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.913 -7.197 -10.556 1.00 0.00 H new ATOM 815 N LEU B 40 -1.609 -7.929 -8.711 1.00 0.00 N ATOM 816 CA LEU B 40 -0.285 -8.281 -9.215 1.00 0.00 C ATOM 817 C LEU B 40 0.566 -8.927 -8.125 1.00 0.00 C ATOM 818 O LEU B 40 1.256 -9.918 -8.363 1.00 0.00 O ATOM 819 CB LEU B 40 0.414 -7.020 -9.745 1.00 0.00 C ATOM 820 CG LEU B 40 -0.045 -6.732 -11.183 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.507 -7.808 -12.155 1.00 0.00 C ATOM 822 CD2 LEU B 40 -1.583 -6.722 -11.237 1.00 0.00 C ATOM 0 H LEU B 40 -1.760 -6.932 -8.560 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.404 -9.003 -10.023 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.184 -6.169 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.495 -7.155 -9.719 1.00 0.00 H new ATOM 0 HG LEU B 40 0.339 -5.759 -11.488 1.00 0.00 H new ATOM 0 HD11 LEU B 40 0.172 -7.589 -13.169 1.00 0.00 H new ATOM 0 HD12 LEU B 40 1.597 -7.802 -12.123 1.00 0.00 H new ATOM 0 HD13 LEU B 40 0.141 -8.790 -11.857 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.910 -6.518 -12.257 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -1.964 -7.693 -10.921 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.965 -5.948 -10.571 1.00 0.00 H new ATOM 834 N TRP B 41 0.523 -8.345 -6.938 1.00 0.00 N ATOM 835 CA TRP B 41 1.307 -8.857 -5.826 1.00 0.00 C ATOM 836 C TRP B 41 0.800 -10.218 -5.365 1.00 0.00 C ATOM 837 O TRP B 41 1.584 -11.147 -5.145 1.00 0.00 O ATOM 838 CB TRP B 41 1.277 -7.857 -4.665 1.00 0.00 C ATOM 839 CG TRP B 41 1.917 -8.468 -3.464 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.249 -8.514 -3.228 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.275 -9.081 -2.309 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.463 -9.158 -2.020 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.278 -9.515 -1.415 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.069 -9.310 -1.956 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.963 -10.150 -0.219 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.385 -9.940 -0.744 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.630 -10.359 0.120 1.00 0.00 C ATOM 0 H TRP B 41 -0.042 -7.524 -6.720 1.00 0.00 H new ATOM 0 HA TRP B 41 2.335 -8.986 -6.166 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.802 -6.943 -4.945 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.248 -7.577 -4.439 1.00 0.00 H new ATOM 0 HD1 TRP B 41 4.017 -8.115 -3.874 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.385 -9.345 -1.627 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.860 -8.999 -2.622 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.749 -10.480 0.444 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.419 -10.102 -0.477 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.380 -10.845 1.051 1.00 0.00 H new ATOM 858 N ILE B 42 -0.506 -10.331 -5.207 1.00 0.00 N ATOM 859 CA ILE B 42 -1.101 -11.575 -4.756 1.00 0.00 C ATOM 860 C ILE B 42 -0.873 -12.673 -5.786 1.00 0.00 C ATOM 861 O ILE B 42 -0.709 -13.843 -5.439 1.00 0.00 O ATOM 862 CB ILE B 42 -2.609 -11.380 -4.525 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.156 -12.553 -3.706 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.350 -11.310 -5.874 1.00 0.00 C ATOM 865 CD1 ILE B 42 -4.599 -12.253 -3.297 1.00 0.00 C ATOM 0 H ILE B 42 -1.173 -9.579 -5.384 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.630 -11.870 -3.818 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.766 -10.447 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.115 -13.471 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.540 -12.712 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.417 -11.172 -5.697 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.967 -10.472 -6.456 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.191 -12.237 -6.425 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.992 -13.086 -2.714 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.625 -11.344 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.209 -12.115 -4.190 1.00 0.00 H new ATOM 877 N LEU B 43 -0.876 -12.287 -7.058 1.00 0.00 N ATOM 878 CA LEU B 43 -0.681 -13.250 -8.128 1.00 0.00 C ATOM 879 C LEU B 43 0.689 -13.907 -8.005 1.00 0.00 C ATOM 880 O LEU B 43 0.825 -15.118 -8.183 1.00 0.00 O ATOM 881 CB LEU B 43 -0.800 -12.558 -9.495 1.00 0.00 C ATOM 882 CG LEU B 43 -0.497 -13.558 -10.623 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.436 -14.772 -10.518 1.00 0.00 C ATOM 884 CD2 LEU B 43 -0.695 -12.871 -11.977 1.00 0.00 C ATOM 0 H LEU B 43 -1.010 -11.324 -7.368 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.452 -14.016 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -1.804 -12.151 -9.619 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.107 -11.718 -9.547 1.00 0.00 H new ATOM 0 HG LEU B 43 0.534 -13.899 -10.532 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.214 -15.475 -11.321 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.290 -15.263 -9.556 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -2.471 -14.440 -10.603 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.481 -13.578 -12.778 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.726 -12.526 -12.063 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.020 -12.019 -12.055 1.00 0.00 H new ATOM 896 N ASP B 44 1.701 -13.099 -7.708 1.00 0.00 N ATOM 897 CA ASP B 44 3.056 -13.614 -7.574 1.00 0.00 C ATOM 898 C ASP B 44 3.127 -14.640 -6.450 1.00 0.00 C ATOM 899 O ASP B 44 3.759 -15.687 -6.591 1.00 0.00 O ATOM 900 CB ASP B 44 4.021 -12.467 -7.279 1.00 0.00 C ATOM 901 CG ASP B 44 5.445 -12.999 -7.158 1.00 0.00 C ATOM 902 OD1 ASP B 44 5.609 -14.208 -7.185 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.351 -12.190 -7.041 1.00 0.00 O ATOM 0 H ASP B 44 1.609 -12.094 -7.557 1.00 0.00 H new ATOM 0 HA ASP B 44 3.338 -14.095 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.969 -11.723 -8.074 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.732 -11.966 -6.355 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.670 14.168 -0.527 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.678 14.239 -1.592 1.00 0.00 C ATOM 1139 C VAL C 28 0.381 13.158 -1.404 1.00 0.00 C ATOM 1140 O VAL C 28 0.766 12.481 -2.358 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.013 15.618 -1.599 1.00 0.00 C ATOM 1142 CG1 VAL C 28 1.106 15.641 -2.643 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.055 16.683 -1.944 1.00 0.00 C ATOM 0 HA VAL C 28 -1.181 14.078 -2.546 1.00 0.00 H new ATOM 0 HB VAL C 28 0.406 15.824 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.579 16.623 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.848 14.882 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.688 15.435 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.583 17.666 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.474 16.476 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -1.852 16.667 -1.200 1.00 0.00 H new ATOM 1153 N ALA C 29 0.847 13.003 -0.169 1.00 0.00 N ATOM 1154 CA ALA C 29 1.861 12.001 0.134 1.00 0.00 C ATOM 1155 C ALA C 29 1.311 10.598 -0.080 1.00 0.00 C ATOM 1156 O ALA C 29 2.013 9.715 -0.567 1.00 0.00 O ATOM 1157 CB ALA C 29 2.329 12.151 1.582 1.00 0.00 C ATOM 0 H ALA C 29 0.541 13.554 0.633 1.00 0.00 H new ATOM 0 HA ALA C 29 2.705 12.154 -0.539 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.087 11.398 1.799 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.753 13.145 1.726 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.481 12.017 2.254 1.00 0.00 H new ATOM 1163 N ALA C 30 0.052 10.395 0.285 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.573 9.089 0.129 1.00 0.00 C ATOM 1165 C ALA C 30 -0.446 8.601 -1.310 1.00 0.00 C ATOM 1166 O ALA C 30 -0.040 7.465 -1.554 1.00 0.00 O ATOM 1167 CB ALA C 30 -2.048 9.177 0.508 1.00 0.00 C ATOM 0 H ALA C 30 -0.552 11.111 0.688 1.00 0.00 H new ATOM 0 HA ALA C 30 -0.066 8.381 0.785 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.513 8.198 0.390 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -2.139 9.499 1.545 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.548 9.897 -0.140 1.00 0.00 H new ATOM 1173 N SER C 31 -0.799 9.462 -2.257 1.00 0.00 N ATOM 1174 CA SER C 31 -0.715 9.101 -3.669 1.00 0.00 C ATOM 1175 C SER C 31 0.733 8.859 -4.081 1.00 0.00 C ATOM 1176 O SER C 31 1.031 7.922 -4.822 1.00 0.00 O ATOM 1177 CB SER C 31 -1.309 10.218 -4.525 1.00 0.00 C ATOM 1178 OG SER C 31 -0.592 11.423 -4.284 1.00 0.00 O ATOM 0 H SER C 31 -1.143 10.405 -2.077 1.00 0.00 H new ATOM 0 HA SER C 31 -1.280 8.181 -3.822 1.00 0.00 H new ATOM 0 HB2 SER C 31 -1.253 9.952 -5.581 1.00 0.00 H new ATOM 0 HB3 SER C 31 -2.364 10.354 -4.286 1.00 0.00 H new ATOM 0 HG SER C 31 -0.313 11.455 -3.345 1.00 0.00 H new ATOM 1184 N ILE C 32 1.628 9.711 -3.594 1.00 0.00 N ATOM 1185 CA ILE C 32 3.047 9.588 -3.913 1.00 0.00 C ATOM 1186 C ILE C 32 3.604 8.282 -3.364 1.00 0.00 C ATOM 1187 O ILE C 32 4.375 7.602 -4.034 1.00 0.00 O ATOM 1188 CB ILE C 32 3.829 10.771 -3.332 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.423 12.053 -4.063 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.334 10.534 -3.517 1.00 0.00 C ATOM 1191 CD1 ILE C 32 4.013 13.264 -3.339 1.00 0.00 C ATOM 0 H ILE C 32 1.398 10.492 -2.979 1.00 0.00 H new ATOM 0 HA ILE C 32 3.156 9.590 -4.998 1.00 0.00 H new ATOM 0 HB ILE C 32 3.606 10.868 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.777 12.024 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.337 12.133 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.889 11.376 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.625 9.619 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.559 10.438 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.723 14.176 -3.860 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.637 13.295 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE C 32 5.100 13.185 -3.323 1.00 0.00 H new ATOM 1203 N ILE C 33 3.217 7.944 -2.144 1.00 0.00 N ATOM 1204 CA ILE C 33 3.698 6.719 -1.520 1.00 0.00 C ATOM 1205 C ILE C 33 3.283 5.498 -2.336 1.00 0.00 C ATOM 1206 O ILE C 33 4.081 4.585 -2.551 1.00 0.00 O ATOM 1207 CB ILE C 33 3.128 6.601 -0.097 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.787 7.647 0.810 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.382 5.190 0.463 1.00 0.00 C ATOM 1210 CD1 ILE C 33 2.962 7.798 2.090 1.00 0.00 C ATOM 0 H ILE C 33 2.578 8.494 -1.570 1.00 0.00 H new ATOM 0 HA ILE C 33 4.786 6.759 -1.478 1.00 0.00 H new ATOM 0 HB ILE C 33 2.053 6.777 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.805 7.344 1.054 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.854 8.604 0.292 1.00 0.00 H new ATOM 0 HG21 ILE C 33 2.974 5.120 1.471 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.898 4.452 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.455 4.998 0.492 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.428 8.541 2.737 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.952 8.120 1.836 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.918 6.841 2.609 1.00 0.00 H new ATOM 1222 N GLY C 34 2.035 5.479 -2.776 1.00 0.00 N ATOM 1223 CA GLY C 34 1.538 4.356 -3.556 1.00 0.00 C ATOM 1224 C GLY C 34 2.264 4.239 -4.890 1.00 0.00 C ATOM 1225 O GLY C 34 2.779 3.175 -5.236 1.00 0.00 O ATOM 0 H GLY C 34 1.354 6.220 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.665 3.434 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.469 4.478 -3.732 1.00 0.00 H new ATOM 1229 N ILE C 35 2.299 5.335 -5.636 1.00 0.00 N ATOM 1230 CA ILE C 35 2.963 5.341 -6.932 1.00 0.00 C ATOM 1231 C ILE C 35 4.466 5.152 -6.773 1.00 0.00 C ATOM 1232 O ILE C 35 5.086 4.398 -7.519 1.00 0.00 O ATOM 1233 CB ILE C 35 2.690 6.665 -7.653 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.205 6.744 -8.019 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.531 6.741 -8.932 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.860 8.170 -8.450 1.00 0.00 C ATOM 0 H ILE C 35 1.879 6.225 -5.369 1.00 0.00 H new ATOM 0 HA ILE C 35 2.567 4.514 -7.521 1.00 0.00 H new ATOM 0 HB ILE C 35 2.954 7.495 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.981 6.045 -8.825 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.593 6.453 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.334 7.684 -9.442 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.589 6.681 -8.676 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.269 5.912 -9.589 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.197 8.226 -8.710 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.069 8.858 -7.631 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.462 8.444 -9.316 1.00 0.00 H new ATOM 1248 N LEU C 36 5.049 5.854 -5.813 1.00 0.00 N ATOM 1249 CA LEU C 36 6.486 5.767 -5.593 1.00 0.00 C ATOM 1250 C LEU C 36 6.903 4.347 -5.229 1.00 0.00 C ATOM 1251 O LEU C 36 7.867 3.810 -5.777 1.00 0.00 O ATOM 1252 CB LEU C 36 6.899 6.724 -4.464 1.00 0.00 C ATOM 1253 CG LEU C 36 8.416 6.640 -4.225 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.174 6.999 -5.517 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.807 7.611 -3.106 1.00 0.00 C ATOM 0 H LEU C 36 4.556 6.484 -5.180 1.00 0.00 H new ATOM 0 HA LEU C 36 6.987 6.048 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.620 7.745 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.365 6.470 -3.549 1.00 0.00 H new ATOM 0 HG LEU C 36 8.680 5.623 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.247 6.937 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU C 36 8.897 6.301 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.915 8.013 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU C 36 9.882 7.554 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.539 8.627 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.278 7.344 -2.191 1.00 0.00 H new ATOM 1267 N HIS C 37 6.174 3.747 -4.302 1.00 0.00 N ATOM 1268 CA HIS C 37 6.477 2.392 -3.866 1.00 0.00 C ATOM 1269 C HIS C 37 6.353 1.418 -5.023 1.00 0.00 C ATOM 1270 O HIS C 37 7.147 0.486 -5.154 1.00 0.00 O ATOM 1271 CB HIS C 37 5.530 1.980 -2.742 1.00 0.00 C ATOM 1272 CG HIS C 37 5.866 0.586 -2.288 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.292 0.308 -1.005 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.852 -0.619 -2.943 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.517 -1.015 -0.929 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.262 -1.628 -2.082 1.00 0.00 N ATOM 0 H HIS C 37 5.372 4.174 -3.838 1.00 0.00 H new ATOM 0 HA HIS C 37 7.503 2.370 -3.499 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.615 2.676 -1.907 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.497 2.022 -3.088 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.565 -0.762 -3.974 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.863 -1.520 -0.039 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.349 -2.623 -2.289 1.00 0.00 H new ATOM 1284 N LEU C 38 5.349 1.630 -5.858 1.00 0.00 N ATOM 1285 CA LEU C 38 5.121 0.751 -6.996 1.00 0.00 C ATOM 1286 C LEU C 38 6.303 0.759 -7.946 1.00 0.00 C ATOM 1287 O LEU C 38 6.675 -0.279 -8.473 1.00 0.00 O ATOM 1288 CB LEU C 38 3.845 1.177 -7.747 1.00 0.00 C ATOM 1289 CG LEU C 38 2.611 0.480 -7.152 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.332 1.191 -7.627 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.573 -1.000 -7.595 1.00 0.00 C ATOM 0 H LEU C 38 4.682 2.397 -5.772 1.00 0.00 H new ATOM 0 HA LEU C 38 4.998 -0.263 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.724 2.258 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.937 0.926 -8.804 1.00 0.00 H new ATOM 0 HG LEU C 38 2.670 0.527 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.460 0.693 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.351 2.231 -7.300 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.277 1.153 -8.715 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.695 -1.485 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.524 -1.053 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.473 -1.507 -7.247 1.00 0.00 H new ATOM 1303 N ILE C 39 6.881 1.923 -8.165 1.00 0.00 N ATOM 1304 CA ILE C 39 8.012 2.027 -9.070 1.00 0.00 C ATOM 1305 C ILE C 39 9.180 1.188 -8.554 1.00 0.00 C ATOM 1306 O ILE C 39 9.848 0.491 -9.317 1.00 0.00 O ATOM 1307 CB ILE C 39 8.433 3.491 -9.188 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.320 4.282 -9.880 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.708 3.595 -10.028 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.603 5.780 -9.753 1.00 0.00 C ATOM 0 H ILE C 39 6.592 2.802 -7.735 1.00 0.00 H new ATOM 0 HA ILE C 39 7.722 1.652 -10.052 1.00 0.00 H new ATOM 0 HB ILE C 39 8.616 3.894 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.259 4.001 -10.931 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.356 4.044 -9.430 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.005 4.640 -10.110 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.506 3.027 -9.550 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.522 3.192 -11.023 1.00 0.00 H new ATOM 0 HD11 ILE C 39 6.810 6.343 -10.246 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.642 6.055 -8.699 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.559 6.011 -10.224 1.00 0.00 H new ATOM 1322 N LEU C 40 9.430 1.268 -7.256 1.00 0.00 N ATOM 1323 CA LEU C 40 10.520 0.505 -6.658 1.00 0.00 C ATOM 1324 C LEU C 40 10.170 -0.979 -6.567 1.00 0.00 C ATOM 1325 O LEU C 40 10.993 -1.845 -6.861 1.00 0.00 O ATOM 1326 CB LEU C 40 10.825 1.055 -5.257 1.00 0.00 C ATOM 1327 CG LEU C 40 11.758 2.272 -5.365 1.00 0.00 C ATOM 1328 CD1 LEU C 40 13.172 1.832 -5.828 1.00 0.00 C ATOM 1329 CD2 LEU C 40 11.168 3.279 -6.368 1.00 0.00 C ATOM 0 H LEU C 40 8.902 1.845 -6.602 1.00 0.00 H new ATOM 0 HA LEU C 40 11.400 0.607 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU C 40 9.898 1.339 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.291 0.281 -4.647 1.00 0.00 H new ATOM 0 HG LEU C 40 11.846 2.741 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU C 40 13.820 2.706 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU C 40 13.589 1.129 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU C 40 13.102 1.352 -6.804 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.828 4.143 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU C 40 11.072 2.806 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU C 40 10.186 3.602 -6.024 1.00 0.00 H new ATOM 1341 N TRP C 41 8.948 -1.258 -6.143 1.00 0.00 N ATOM 1342 CA TRP C 41 8.505 -2.634 -5.996 1.00 0.00 C ATOM 1343 C TRP C 41 8.370 -3.325 -7.349 1.00 0.00 C ATOM 1344 O TRP C 41 8.827 -4.459 -7.530 1.00 0.00 O ATOM 1345 CB TRP C 41 7.171 -2.672 -5.245 1.00 0.00 C ATOM 1346 CG TRP C 41 6.626 -4.064 -5.264 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.993 -5.054 -4.418 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.596 -4.619 -6.127 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.283 -6.196 -4.742 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.403 -5.973 -5.780 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.821 -4.090 -7.177 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.480 -6.772 -6.445 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.881 -4.895 -7.839 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.714 -6.230 -7.472 1.00 0.00 C ATOM 0 H TRP C 41 8.250 -0.556 -5.896 1.00 0.00 H new ATOM 0 HA TRP C 41 9.259 -3.174 -5.423 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.311 -2.339 -4.217 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.461 -1.986 -5.708 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.719 -4.967 -3.623 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.396 -7.093 -4.271 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.951 -3.060 -7.474 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.358 -7.808 -6.166 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.284 -4.478 -8.637 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.989 -6.844 -7.986 1.00 0.00 H new ATOM 1365 N ILE C 42 7.735 -2.650 -8.287 1.00 0.00 N ATOM 1366 CA ILE C 42 7.532 -3.213 -9.611 1.00 0.00 C ATOM 1367 C ILE C 42 8.871 -3.423 -10.305 1.00 0.00 C ATOM 1368 O ILE C 42 9.044 -4.369 -11.074 1.00 0.00 O ATOM 1369 CB ILE C 42 6.650 -2.274 -10.450 1.00 0.00 C ATOM 1370 CG1 ILE C 42 6.134 -3.024 -11.681 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.464 -1.046 -10.905 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.096 -2.160 -12.400 1.00 0.00 C ATOM 0 H ILE C 42 7.351 -1.714 -8.159 1.00 0.00 H new ATOM 0 HA ILE C 42 7.033 -4.177 -9.510 1.00 0.00 H new ATOM 0 HB ILE C 42 5.810 -1.940 -9.842 1.00 0.00 H new ATOM 0 HG12 ILE C 42 6.960 -3.255 -12.353 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.690 -3.974 -11.383 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.829 -0.388 -11.498 1.00 0.00 H new ATOM 0 HG22 ILE C 42 7.828 -0.507 -10.031 1.00 0.00 H new ATOM 0 HG23 ILE C 42 8.311 -1.374 -11.508 1.00 0.00 H new ATOM 0 HD11 ILE C 42 4.726 -2.690 -13.277 1.00 0.00 H new ATOM 0 HD12 ILE C 42 4.266 -1.951 -11.725 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.556 -1.222 -12.710 1.00 0.00 H new ATOM 1384 N LEU C 43 9.814 -2.527 -10.034 1.00 0.00 N ATOM 1385 CA LEU C 43 11.128 -2.620 -10.648 1.00 0.00 C ATOM 1386 C LEU C 43 11.809 -3.922 -10.243 1.00 0.00 C ATOM 1387 O LEU C 43 12.426 -4.594 -11.070 1.00 0.00 O ATOM 1388 CB LEU C 43 11.999 -1.428 -10.225 1.00 0.00 C ATOM 1389 CG LEU C 43 13.418 -1.578 -10.799 1.00 0.00 C ATOM 1390 CD1 LEU C 43 13.355 -1.716 -12.330 1.00 0.00 C ATOM 1391 CD2 LEU C 43 14.247 -0.345 -10.427 1.00 0.00 C ATOM 0 H LEU C 43 9.693 -1.737 -9.400 1.00 0.00 H new ATOM 0 HA LEU C 43 11.005 -2.604 -11.731 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.552 -0.498 -10.578 1.00 0.00 H new ATOM 0 HB3 LEU C 43 12.043 -1.368 -9.138 1.00 0.00 H new ATOM 0 HG LEU C 43 13.882 -2.472 -10.382 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.364 -1.822 -12.728 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.768 -2.596 -12.592 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.888 -0.828 -12.756 1.00 0.00 H new ATOM 0 HD21 LEU C 43 15.254 -0.448 -10.832 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.778 0.547 -10.842 1.00 0.00 H new ATOM 0 HD23 LEU C 43 14.300 -0.256 -9.342 1.00 0.00 H new ATOM 1403 N ASP C 44 11.700 -4.266 -8.965 1.00 0.00 N ATOM 1404 CA ASP C 44 12.319 -5.486 -8.461 1.00 0.00 C ATOM 1405 C ASP C 44 11.747 -6.704 -9.175 1.00 0.00 C ATOM 1406 O ASP C 44 12.484 -7.613 -9.561 1.00 0.00 O ATOM 1407 CB ASP C 44 12.075 -5.610 -6.958 1.00 0.00 C ATOM 1408 CG ASP C 44 12.747 -6.870 -6.423 1.00 0.00 C ATOM 1409 OD1 ASP C 44 13.267 -7.628 -7.225 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.736 -7.057 -5.217 1.00 0.00 O ATOM 0 H ASP C 44 11.194 -3.724 -8.265 1.00 0.00 H new ATOM 0 HA ASP C 44 13.391 -5.437 -8.650 1.00 0.00 H new ATOM 0 HB2 ASP C 44 12.467 -4.732 -6.444 1.00 0.00 H new ATOM 0 HB3 ASP C 44 11.004 -5.645 -6.757 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.551 8.309 8.222 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.652 9.145 7.438 1.00 0.00 C ATOM 1630 C VAL D 27 -5.248 9.131 8.039 1.00 0.00 C ATOM 1631 O VAL D 27 -4.257 8.952 7.328 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.181 10.582 7.399 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -6.174 11.481 6.677 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.519 10.613 6.658 1.00 0.00 C ATOM 0 HA VAL D 27 -6.604 8.748 6.424 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.322 10.944 8.418 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.552 12.503 6.650 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -5.222 11.460 7.207 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -6.030 11.121 5.658 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -8.896 11.635 6.630 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.380 10.250 5.640 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -9.236 9.976 7.175 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.173 9.318 9.352 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.887 9.325 10.039 1.00 0.00 C ATOM 1646 C VAL D 28 -3.225 7.955 9.943 1.00 0.00 C ATOM 1647 O VAL D 28 -2.028 7.850 9.676 1.00 0.00 O ATOM 1648 CB VAL D 28 -4.080 9.703 11.510 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.743 9.592 12.247 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.595 11.141 11.603 1.00 0.00 C ATOM 0 H VAL D 28 -5.980 9.466 9.958 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.243 10.062 9.560 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.803 9.027 11.966 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.881 9.861 13.294 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.375 8.568 12.181 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -2.019 10.268 11.791 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.733 11.411 12.650 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.872 11.817 11.146 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.548 11.221 11.079 1.00 0.00 H new ATOM 1660 N ALA D 29 -4.013 6.908 10.162 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.495 5.548 10.096 1.00 0.00 C ATOM 1662 C ALA D 29 -3.055 5.207 8.677 1.00 0.00 C ATOM 1663 O ALA D 29 -2.049 4.534 8.478 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.566 4.556 10.552 1.00 0.00 C ATOM 0 H ALA D 29 -5.006 6.975 10.385 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.631 5.479 10.757 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.169 3.542 10.499 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.855 4.779 11.579 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.438 4.639 9.903 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.815 5.675 7.695 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.489 5.403 6.301 1.00 0.00 C ATOM 1672 C ALA D 30 -2.060 5.830 5.989 1.00 0.00 C ATOM 1673 O ALA D 30 -1.285 5.062 5.419 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.457 6.156 5.388 1.00 0.00 C ATOM 0 H ALA D 30 -4.653 6.239 7.835 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.580 4.331 6.128 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.210 5.950 4.347 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.477 5.829 5.590 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.375 7.227 5.575 1.00 0.00 H new ATOM 1680 N SER D 31 -1.715 7.056 6.366 1.00 0.00 N ATOM 1681 CA SER D 31 -0.371 7.567 6.120 1.00 0.00 C ATOM 1682 C SER D 31 0.666 6.758 6.894 1.00 0.00 C ATOM 1683 O SER D 31 1.738 6.443 6.376 1.00 0.00 O ATOM 1684 CB SER D 31 -0.289 9.033 6.541 1.00 0.00 C ATOM 1685 OG SER D 31 -0.611 9.143 7.922 1.00 0.00 O ATOM 0 H SER D 31 -2.340 7.709 6.838 1.00 0.00 H new ATOM 0 HA SER D 31 -0.160 7.478 5.054 1.00 0.00 H new ATOM 0 HB2 SER D 31 0.713 9.421 6.357 1.00 0.00 H new ATOM 0 HB3 SER D 31 -0.977 9.633 5.946 1.00 0.00 H new ATOM 0 HG SER D 31 -1.179 8.389 8.187 1.00 0.00 H new ATOM 1691 N ILE D 32 0.337 6.423 8.137 1.00 0.00 N ATOM 1692 CA ILE D 32 1.240 5.649 8.981 1.00 0.00 C ATOM 1693 C ILE D 32 1.465 4.263 8.390 1.00 0.00 C ATOM 1694 O ILE D 32 2.587 3.764 8.378 1.00 0.00 O ATOM 1695 CB ILE D 32 0.670 5.519 10.397 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.669 6.895 11.067 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.537 4.554 11.214 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.109 6.822 12.382 1.00 0.00 C ATOM 0 H ILE D 32 -0.546 6.675 8.581 1.00 0.00 H new ATOM 0 HA ILE D 32 2.194 6.174 9.029 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.348 5.134 10.347 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.692 7.220 11.255 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.216 7.633 10.405 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.130 4.463 12.221 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.542 3.575 10.735 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.556 4.937 11.268 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.110 7.802 12.859 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.136 6.516 12.181 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.363 6.096 13.044 1.00 0.00 H new ATOM 1710 N ILE D 33 0.397 3.645 7.911 1.00 0.00 N ATOM 1711 CA ILE D 33 0.499 2.313 7.332 1.00 0.00 C ATOM 1712 C ILE D 33 1.430 2.318 6.125 1.00 0.00 C ATOM 1713 O ILE D 33 2.261 1.422 5.968 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.894 1.823 6.902 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.738 1.516 8.144 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.769 0.562 6.033 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -3.213 1.415 7.743 1.00 0.00 C ATOM 0 H ILE D 33 -0.544 4.040 7.911 1.00 0.00 H new ATOM 0 HA ILE D 33 0.908 1.641 8.087 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.380 2.605 6.318 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.409 0.582 8.600 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.605 2.299 8.890 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.762 0.225 5.735 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.181 0.790 5.144 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.275 -0.225 6.603 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.816 1.197 8.625 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.537 2.360 7.307 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -3.337 0.616 7.012 1.00 0.00 H new ATOM 1729 N GLY D 34 1.284 3.320 5.272 1.00 0.00 N ATOM 1730 CA GLY D 34 2.118 3.410 4.083 1.00 0.00 C ATOM 1731 C GLY D 34 3.584 3.621 4.447 1.00 0.00 C ATOM 1732 O GLY D 34 4.459 2.887 3.987 1.00 0.00 O ATOM 0 H GLY D 34 0.605 4.074 5.378 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.015 2.498 3.495 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.775 4.234 3.457 1.00 0.00 H new ATOM 1736 N ILE D 35 3.846 4.628 5.270 1.00 0.00 N ATOM 1737 CA ILE D 35 5.210 4.927 5.684 1.00 0.00 C ATOM 1738 C ILE D 35 5.775 3.803 6.545 1.00 0.00 C ATOM 1739 O ILE D 35 6.920 3.394 6.373 1.00 0.00 O ATOM 1740 CB ILE D 35 5.241 6.238 6.475 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.902 7.401 5.539 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.640 6.455 7.063 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.629 8.659 6.367 1.00 0.00 C ATOM 0 H ILE D 35 3.137 5.248 5.662 1.00 0.00 H new ATOM 0 HA ILE D 35 5.823 5.024 4.788 1.00 0.00 H new ATOM 0 HB ILE D 35 4.512 6.189 7.284 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.727 7.579 4.849 1.00 0.00 H new ATOM 0 HG13 ILE D 35 4.029 7.153 4.935 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.658 7.389 7.625 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.888 5.627 7.727 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.371 6.504 6.256 1.00 0.00 H new ATOM 0 HD11 ILE D 35 4.388 9.488 5.701 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.790 8.477 7.039 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.514 8.909 6.951 1.00 0.00 H new ATOM 1755 N LEU D 36 4.970 3.321 7.482 1.00 0.00 N ATOM 1756 CA LEU D 36 5.418 2.265 8.377 1.00 0.00 C ATOM 1757 C LEU D 36 5.778 1.003 7.601 1.00 0.00 C ATOM 1758 O LEU D 36 6.830 0.403 7.824 1.00 0.00 O ATOM 1759 CB LEU D 36 4.313 1.939 9.393 1.00 0.00 C ATOM 1760 CG LEU D 36 4.778 0.820 10.343 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.054 1.257 11.085 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.666 0.519 11.354 1.00 0.00 C ATOM 0 H LEU D 36 4.014 3.640 7.641 1.00 0.00 H new ATOM 0 HA LEU D 36 6.308 2.618 8.898 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.061 2.831 9.966 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.408 1.630 8.870 1.00 0.00 H new ATOM 0 HG LEU D 36 4.997 -0.078 9.765 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.376 0.460 11.755 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.843 1.464 10.362 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.848 2.157 11.665 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.992 -0.273 12.028 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.445 1.418 11.930 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.769 0.198 10.824 1.00 0.00 H new ATOM 1774 N HIS D 37 4.900 0.608 6.695 1.00 0.00 N ATOM 1775 CA HIS D 37 5.128 -0.585 5.894 1.00 0.00 C ATOM 1776 C HIS D 37 6.387 -0.431 5.059 1.00 0.00 C ATOM 1777 O HIS D 37 7.153 -1.380 4.888 1.00 0.00 O ATOM 1778 CB HIS D 37 3.932 -0.840 4.983 1.00 0.00 C ATOM 1779 CG HIS D 37 4.176 -2.085 4.174 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.371 -3.204 4.278 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.135 -2.404 3.250 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.859 -4.132 3.437 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.934 -3.695 2.785 1.00 0.00 N ATOM 0 H HIS D 37 4.025 1.093 6.495 1.00 0.00 H new ATOM 0 HA HIS D 37 5.254 -1.434 6.566 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.025 -0.951 5.578 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.777 0.012 4.321 1.00 0.00 H new ATOM 0 HD2 HIS D 37 5.931 -1.747 2.931 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.430 -5.115 3.306 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.489 -4.200 2.094 1.00 0.00 H new ATOM 1791 N LEU D 38 6.592 0.764 4.528 1.00 0.00 N ATOM 1792 CA LEU D 38 7.757 1.023 3.695 1.00 0.00 C ATOM 1793 C LEU D 38 9.048 0.811 4.464 1.00 0.00 C ATOM 1794 O LEU D 38 10.004 0.275 3.922 1.00 0.00 O ATOM 1795 CB LEU D 38 7.708 2.463 3.149 1.00 0.00 C ATOM 1796 CG LEU D 38 6.933 2.514 1.824 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.559 3.968 1.499 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.801 1.941 0.684 1.00 0.00 C ATOM 0 H LEU D 38 5.973 1.564 4.657 1.00 0.00 H new ATOM 0 HA LEU D 38 7.736 0.317 2.865 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.233 3.118 3.879 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.721 2.835 2.998 1.00 0.00 H new ATOM 0 HG LEU D 38 6.026 1.917 1.920 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.009 4.001 0.558 1.00 0.00 H new ATOM 0 HD12 LEU D 38 5.936 4.371 2.298 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.466 4.566 1.410 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.244 1.981 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.713 2.531 0.589 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.060 0.906 0.909 1.00 0.00 H new ATOM 1810 N ILE D 39 9.073 1.236 5.708 1.00 0.00 N ATOM 1811 CA ILE D 39 10.270 1.087 6.516 1.00 0.00 C ATOM 1812 C ILE D 39 10.614 -0.393 6.676 1.00 0.00 C ATOM 1813 O ILE D 39 11.776 -0.789 6.579 1.00 0.00 O ATOM 1814 CB ILE D 39 10.040 1.720 7.886 1.00 0.00 C ATOM 1815 CG1 ILE D 39 9.880 3.234 7.723 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.243 1.446 8.792 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.374 3.839 9.032 1.00 0.00 C ATOM 0 H ILE D 39 8.288 1.684 6.181 1.00 0.00 H new ATOM 0 HA ILE D 39 11.102 1.588 6.021 1.00 0.00 H new ATOM 0 HB ILE D 39 9.141 1.293 8.331 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.834 3.683 7.448 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.181 3.451 6.916 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.074 1.900 9.768 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.372 0.370 8.909 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.140 1.873 8.344 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.261 4.917 8.915 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.410 3.398 9.288 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.090 3.634 9.828 1.00 0.00 H new ATOM 1829 N LEU D 40 9.602 -1.207 6.933 1.00 0.00 N ATOM 1830 CA LEU D 40 9.822 -2.639 7.099 1.00 0.00 C ATOM 1831 C LEU D 40 10.112 -3.312 5.761 1.00 0.00 C ATOM 1832 O LEU D 40 11.006 -4.152 5.651 1.00 0.00 O ATOM 1833 CB LEU D 40 8.585 -3.277 7.747 1.00 0.00 C ATOM 1834 CG LEU D 40 8.646 -3.103 9.275 1.00 0.00 C ATOM 1835 CD1 LEU D 40 9.780 -3.975 9.876 1.00 0.00 C ATOM 1836 CD2 LEU D 40 8.891 -1.623 9.609 1.00 0.00 C ATOM 0 H LEU D 40 8.632 -0.908 7.031 1.00 0.00 H new ATOM 0 HA LEU D 40 10.690 -2.781 7.743 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.679 -2.814 7.355 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.537 -4.336 7.494 1.00 0.00 H new ATOM 0 HG LEU D 40 7.698 -3.424 9.707 1.00 0.00 H new ATOM 0 HD11 LEU D 40 9.809 -3.840 10.957 1.00 0.00 H new ATOM 0 HD12 LEU D 40 9.593 -5.024 9.646 1.00 0.00 H new ATOM 0 HD13 LEU D 40 10.736 -3.675 9.447 1.00 0.00 H new ATOM 0 HD21 LEU D 40 8.935 -1.497 10.691 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.834 -1.302 9.168 1.00 0.00 H new ATOM 0 HD23 LEU D 40 8.078 -1.020 9.206 1.00 0.00 H new ATOM 1848 N TRP D 41 9.339 -2.947 4.752 1.00 0.00 N ATOM 1849 CA TRP D 41 9.505 -3.535 3.433 1.00 0.00 C ATOM 1850 C TRP D 41 10.825 -3.111 2.795 1.00 0.00 C ATOM 1851 O TRP D 41 11.562 -3.939 2.253 1.00 0.00 O ATOM 1852 CB TRP D 41 8.331 -3.136 2.534 1.00 0.00 C ATOM 1853 CG TRP D 41 8.601 -3.578 1.133 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.385 -4.824 0.655 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.089 -2.787 0.013 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.753 -4.856 -0.679 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.181 -3.624 -1.120 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.464 -1.437 -0.129 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.629 -3.144 -2.346 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.906 -0.952 -1.370 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.987 -1.806 -2.472 1.00 0.00 C ATOM 0 H TRP D 41 8.596 -2.252 4.819 1.00 0.00 H new ATOM 0 HA TRP D 41 9.523 -4.619 3.545 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.410 -3.591 2.898 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.187 -2.056 2.564 1.00 0.00 H new ATOM 0 HD1 TRP D 41 7.991 -5.656 1.220 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.712 -5.691 -1.264 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.411 -0.772 0.720 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.699 -3.807 -3.196 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.185 0.086 -1.473 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.328 -1.427 -3.424 1.00 0.00 H new ATOM 1872 N ILE D 42 11.110 -1.823 2.852 1.00 0.00 N ATOM 1873 CA ILE D 42 12.331 -1.299 2.265 1.00 0.00 C ATOM 1874 C ILE D 42 13.549 -1.868 2.982 1.00 0.00 C ATOM 1875 O ILE D 42 14.593 -2.098 2.370 1.00 0.00 O ATOM 1876 CB ILE D 42 12.341 0.236 2.360 1.00 0.00 C ATOM 1877 CG1 ILE D 42 13.417 0.798 1.427 1.00 0.00 C ATOM 1878 CG2 ILE D 42 12.637 0.679 3.807 1.00 0.00 C ATOM 1879 CD1 ILE D 42 13.291 2.321 1.367 1.00 0.00 C ATOM 0 H ILE D 42 10.516 -1.123 3.296 1.00 0.00 H new ATOM 0 HA ILE D 42 12.370 -1.594 1.217 1.00 0.00 H new ATOM 0 HB ILE D 42 11.362 0.615 2.066 1.00 0.00 H new ATOM 0 HG12 ILE D 42 14.407 0.518 1.785 1.00 0.00 H new ATOM 0 HG13 ILE D 42 13.307 0.373 0.429 1.00 0.00 H new ATOM 0 HG21 ILE D 42 12.641 1.768 3.861 1.00 0.00 H new ATOM 0 HG22 ILE D 42 11.868 0.286 4.472 1.00 0.00 H new ATOM 0 HG23 ILE D 42 13.611 0.297 4.112 1.00 0.00 H new ATOM 0 HD11 ILE D 42 14.056 2.724 0.703 1.00 0.00 H new ATOM 0 HD12 ILE D 42 12.305 2.590 0.989 1.00 0.00 H new ATOM 0 HD13 ILE D 42 13.422 2.737 2.366 1.00 0.00 H new ATOM 1891 N LEU D 43 13.409 -2.085 4.285 1.00 0.00 N ATOM 1892 CA LEU D 43 14.507 -2.617 5.073 1.00 0.00 C ATOM 1893 C LEU D 43 14.904 -3.996 4.567 1.00 0.00 C ATOM 1894 O LEU D 43 16.090 -4.310 4.453 1.00 0.00 O ATOM 1895 CB LEU D 43 14.103 -2.706 6.554 1.00 0.00 C ATOM 1896 CG LEU D 43 15.230 -3.363 7.371 1.00 0.00 C ATOM 1897 CD1 LEU D 43 16.537 -2.573 7.191 1.00 0.00 C ATOM 1898 CD2 LEU D 43 14.836 -3.382 8.851 1.00 0.00 C ATOM 0 H LEU D 43 12.554 -1.902 4.811 1.00 0.00 H new ATOM 0 HA LEU D 43 15.359 -1.945 4.974 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.895 -1.709 6.943 1.00 0.00 H new ATOM 0 HB3 LEU D 43 13.185 -3.285 6.654 1.00 0.00 H new ATOM 0 HG LEU D 43 15.383 -4.384 7.021 1.00 0.00 H new ATOM 0 HD11 LEU D 43 17.330 -3.044 7.772 1.00 0.00 H new ATOM 0 HD12 LEU D 43 16.815 -2.565 6.137 1.00 0.00 H new ATOM 0 HD13 LEU D 43 16.394 -1.549 7.536 1.00 0.00 H new ATOM 0 HD21 LEU D 43 15.632 -3.847 9.433 1.00 0.00 H new ATOM 0 HD22 LEU D 43 14.680 -2.361 9.199 1.00 0.00 H new ATOM 0 HD23 LEU D 43 13.915 -3.952 8.975 1.00 0.00 H new ATOM 1910 N ASP D 44 13.907 -4.821 4.270 1.00 0.00 N ATOM 1911 CA ASP D 44 14.167 -6.169 3.782 1.00 0.00 C ATOM 1912 C ASP D 44 14.947 -6.119 2.475 1.00 0.00 C ATOM 1913 O ASP D 44 15.894 -6.879 2.276 1.00 0.00 O ATOM 1914 CB ASP D 44 12.847 -6.907 3.564 1.00 0.00 C ATOM 1915 CG ASP D 44 13.116 -8.321 3.058 1.00 0.00 C ATOM 1916 OD1 ASP D 44 14.266 -8.627 2.792 1.00 0.00 O ATOM 1917 OD2 ASP D 44 12.165 -9.078 2.947 1.00 0.00 O ATOM 0 H ASP D 44 12.919 -4.583 4.358 1.00 0.00 H new ATOM 0 HA ASP D 44 14.760 -6.700 4.527 1.00 0.00 H new ATOM 0 HB2 ASP D 44 12.285 -6.947 4.497 1.00 0.00 H new ATOM 0 HB3 ASP D 44 12.233 -6.365 2.845 1.00 0.00 H new