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= 0.648 USER MOD Single : A 37 HIS : no HD1:sc= -9.57! C(o=-9.6!,f=-12!) USER MOD Single : B 31 SER OG : rot -22:sc= 0.609 USER MOD Single : B 37 HIS : no HD1:sc= -9.15! C(o=-9.2!,f=-11!) USER MOD Single : C 31 SER OG : rot -26:sc= 0.613 USER MOD Single : C 37 HIS : no HD1:sc= -9.38! C(o=-9.4!,f=-12!) USER MOD Single : D 31 SER OG : rot -27:sc= 0.695 USER MOD Single : D 37 HIS : no HD1:sc= -9.11! C(o=-9.1!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -13.284 4.889 1.667 1.00 0.00 N ATOM 108 CA VAL A 27 -12.386 5.200 2.773 1.00 0.00 C ATOM 109 C VAL A 27 -12.066 3.934 3.565 1.00 0.00 C ATOM 110 O VAL A 27 -10.907 3.656 3.872 1.00 0.00 O ATOM 111 CB VAL A 27 -13.035 6.235 3.692 1.00 0.00 C ATOM 112 CG1 VAL A 27 -12.146 6.469 4.915 1.00 0.00 C ATOM 113 CG2 VAL A 27 -13.212 7.550 2.929 1.00 0.00 C ATOM 0 HA VAL A 27 -11.459 5.608 2.370 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.008 5.869 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.612 7.207 5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.021 5.532 5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.171 6.834 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.675 8.290 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.238 7.914 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.849 7.384 2.060 1.00 0.00 H new ATOM 123 N VAL A 28 -13.105 3.167 3.885 1.00 0.00 N ATOM 124 CA VAL A 28 -12.929 1.928 4.635 1.00 0.00 C ATOM 125 C VAL A 28 -12.149 0.912 3.805 1.00 0.00 C ATOM 126 O VAL A 28 -11.255 0.236 4.313 1.00 0.00 O ATOM 127 CB VAL A 28 -14.290 1.347 5.019 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.094 -0.006 5.706 1.00 0.00 C ATOM 129 CG2 VAL A 28 -14.997 2.306 5.979 1.00 0.00 C ATOM 0 H VAL A 28 -14.071 3.380 3.638 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.367 2.149 5.542 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.895 1.214 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.065 -0.419 5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.587 -0.690 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.490 0.126 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.968 1.895 6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.390 2.437 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.137 3.271 5.492 1.00 0.00 H new ATOM 139 N ALA A 29 -12.502 0.807 2.526 1.00 0.00 N ATOM 140 CA ALA A 29 -11.832 -0.133 1.639 1.00 0.00 C ATOM 141 C ALA A 29 -10.331 0.132 1.622 1.00 0.00 C ATOM 142 O ALA A 29 -9.530 -0.780 1.448 1.00 0.00 O ATOM 143 CB ALA A 29 -12.393 -0.006 0.222 1.00 0.00 C ATOM 0 H ALA A 29 -13.241 1.356 2.087 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.009 -1.144 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.886 -0.713 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.461 -0.223 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.232 1.008 -0.143 1.00 0.00 H new ATOM 149 N ALA A 30 -9.948 1.388 1.805 1.00 0.00 N ATOM 150 CA ALA A 30 -8.535 1.734 1.815 1.00 0.00 C ATOM 151 C ALA A 30 -7.876 1.265 3.114 1.00 0.00 C ATOM 152 O ALA A 30 -6.756 0.755 3.105 1.00 0.00 O ATOM 153 CB ALA A 30 -8.366 3.248 1.660 1.00 0.00 C ATOM 0 H ALA A 30 -10.585 2.172 1.946 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.049 1.232 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.305 3.498 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.807 3.569 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.865 3.756 2.485 1.00 0.00 H new ATOM 159 N SER A 31 -8.576 1.460 4.233 1.00 0.00 N ATOM 160 CA SER A 31 -8.045 1.070 5.540 1.00 0.00 C ATOM 161 C SER A 31 -7.948 -0.448 5.689 1.00 0.00 C ATOM 162 O SER A 31 -6.947 -0.962 6.183 1.00 0.00 O ATOM 163 CB SER A 31 -8.943 1.626 6.647 1.00 0.00 C ATOM 164 OG SER A 31 -10.260 1.120 6.478 1.00 0.00 O ATOM 0 H SER A 31 -9.504 1.882 4.261 1.00 0.00 H new ATOM 0 HA SER A 31 -7.039 1.482 5.622 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.554 1.342 7.625 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.952 2.715 6.612 1.00 0.00 H new ATOM 0 HG SER A 31 -10.415 0.921 5.531 1.00 0.00 H new ATOM 170 N ILE A 32 -8.987 -1.164 5.273 1.00 0.00 N ATOM 171 CA ILE A 32 -8.990 -2.617 5.386 1.00 0.00 C ATOM 172 C ILE A 32 -7.910 -3.226 4.495 1.00 0.00 C ATOM 173 O ILE A 32 -7.294 -4.222 4.858 1.00 0.00 O ATOM 174 CB ILE A 32 -10.364 -3.157 4.993 1.00 0.00 C ATOM 175 CG1 ILE A 32 -10.468 -4.641 5.350 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.566 -2.984 3.492 1.00 0.00 C ATOM 177 CD1 ILE A 32 -11.922 -5.088 5.205 1.00 0.00 C ATOM 0 H ILE A 32 -9.830 -0.766 4.858 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.776 -2.892 6.419 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.131 -2.605 5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.826 -5.231 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.123 -4.808 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.546 -3.369 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.504 -1.926 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.792 -3.533 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.005 -6.145 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.551 -4.504 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.249 -4.934 4.177 1.00 0.00 H new ATOM 189 N ILE A 33 -7.687 -2.622 3.331 1.00 0.00 N ATOM 190 CA ILE A 33 -6.673 -3.125 2.407 1.00 0.00 C ATOM 191 C ILE A 33 -5.292 -3.056 3.056 1.00 0.00 C ATOM 192 O ILE A 33 -4.515 -4.006 2.977 1.00 0.00 O ATOM 193 CB ILE A 33 -6.690 -2.294 1.108 1.00 0.00 C ATOM 194 CG1 ILE A 33 -7.857 -2.747 0.223 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.371 -2.463 0.334 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.095 -1.707 -0.875 1.00 0.00 C ATOM 0 H ILE A 33 -8.187 -1.794 3.007 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.896 -4.164 2.166 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.809 -1.243 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.636 -3.717 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.758 -2.870 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.406 -1.868 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.540 -2.128 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.232 -3.513 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.924 -2.027 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.335 -0.746 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.195 -1.607 -1.482 1.00 0.00 H new ATOM 208 N GLY A 34 -4.986 -1.927 3.686 1.00 0.00 N ATOM 209 CA GLY A 34 -3.685 -1.764 4.324 1.00 0.00 C ATOM 210 C GLY A 34 -3.473 -2.806 5.416 1.00 0.00 C ATOM 211 O GLY A 34 -2.459 -3.503 5.432 1.00 0.00 O ATOM 0 H GLY A 34 -5.609 -1.124 3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.897 -1.851 3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.609 -0.764 4.752 1.00 0.00 H new ATOM 215 N ILE A 35 -4.432 -2.912 6.329 1.00 0.00 N ATOM 216 CA ILE A 35 -4.328 -3.876 7.418 1.00 0.00 C ATOM 217 C ILE A 35 -4.436 -5.307 6.890 1.00 0.00 C ATOM 218 O ILE A 35 -3.674 -6.181 7.292 1.00 0.00 O ATOM 219 CB ILE A 35 -5.435 -3.627 8.443 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.414 -2.154 8.888 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.232 -4.540 9.656 1.00 0.00 C ATOM 222 CD1 ILE A 35 -4.026 -1.758 9.401 1.00 0.00 C ATOM 0 H ILE A 35 -5.282 -2.348 6.338 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.355 -3.750 7.892 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.400 -3.847 7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.694 -1.513 8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.155 -1.996 9.672 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.023 -4.359 10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.264 -5.582 9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.265 -4.330 10.112 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.037 -0.713 9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.760 -2.385 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.292 -1.894 8.607 1.00 0.00 H new ATOM 234 N LEU A 36 -5.390 -5.538 5.995 1.00 0.00 N ATOM 235 CA LEU A 36 -5.591 -6.873 5.435 1.00 0.00 C ATOM 236 C LEU A 36 -4.354 -7.325 4.669 1.00 0.00 C ATOM 237 O LEU A 36 -3.888 -8.452 4.833 1.00 0.00 O ATOM 238 CB LEU A 36 -6.802 -6.867 4.491 1.00 0.00 C ATOM 239 CG LEU A 36 -7.034 -8.268 3.899 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.288 -9.289 5.022 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.246 -8.215 2.964 1.00 0.00 C ATOM 0 H LEU A 36 -6.032 -4.827 5.643 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.771 -7.567 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.691 -6.544 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.640 -6.149 3.687 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.148 -8.578 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.450 -10.275 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.424 -9.323 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.170 -8.993 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.420 -9.203 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.126 -7.902 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.056 -7.502 2.161 1.00 0.00 H new ATOM 253 N HIS A 37 -3.827 -6.436 3.835 1.00 0.00 N ATOM 254 CA HIS A 37 -2.642 -6.760 3.052 1.00 0.00 C ATOM 255 C HIS A 37 -1.447 -6.981 3.971 1.00 0.00 C ATOM 256 O HIS A 37 -0.647 -7.890 3.752 1.00 0.00 O ATOM 257 CB HIS A 37 -2.326 -5.634 2.069 1.00 0.00 C ATOM 258 CG HIS A 37 -1.122 -6.020 1.255 1.00 0.00 C ATOM 259 ND1 HIS A 37 -1.179 -6.193 -0.115 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.175 -6.283 1.609 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.049 -6.548 -0.530 1.00 0.00 C ATOM 262 NE2 HIS A 37 0.913 -6.615 0.480 1.00 0.00 N ATOM 0 H HIS A 37 -4.196 -5.497 3.685 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.842 -7.675 2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.180 -5.453 1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.135 -4.706 2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.565 -6.239 2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.304 -6.754 -1.559 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.903 -6.858 0.435 1.00 0.00 H new ATOM 270 N LEU A 38 -1.321 -6.135 4.990 1.00 0.00 N ATOM 271 CA LEU A 38 -0.203 -6.238 5.926 1.00 0.00 C ATOM 272 C LEU A 38 -0.203 -7.581 6.647 1.00 0.00 C ATOM 273 O LEU A 38 0.853 -8.174 6.837 1.00 0.00 O ATOM 274 CB LEU A 38 -0.257 -5.084 6.953 1.00 0.00 C ATOM 275 CG LEU A 38 0.519 -3.854 6.440 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.080 -2.599 7.214 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.034 -4.063 6.645 1.00 0.00 C ATOM 0 H LEU A 38 -1.973 -5.376 5.189 1.00 0.00 H new ATOM 0 HA LEU A 38 0.721 -6.164 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.295 -4.810 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.165 -5.416 7.901 1.00 0.00 H new ATOM 0 HG LEU A 38 0.307 -3.725 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.632 -1.734 6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.988 -2.437 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.285 -2.736 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.574 -3.190 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.242 -4.201 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.357 -4.946 6.094 1.00 0.00 H new ATOM 289 N ILE A 39 -1.372 -8.055 7.045 1.00 0.00 N ATOM 290 CA ILE A 39 -1.454 -9.330 7.746 1.00 0.00 C ATOM 291 C ILE A 39 -0.969 -10.463 6.841 1.00 0.00 C ATOM 292 O ILE A 39 -0.210 -11.330 7.267 1.00 0.00 O ATOM 293 CB ILE A 39 -2.899 -9.581 8.178 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.288 -8.563 9.256 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.034 -10.995 8.754 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.809 -8.536 9.400 1.00 0.00 C ATOM 0 H ILE A 39 -2.266 -7.586 6.899 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.816 -9.296 8.629 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.554 -9.479 7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.826 -8.829 10.207 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.919 -7.573 8.988 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.066 -11.166 9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.754 -11.725 7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.378 -11.100 9.618 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.089 -7.813 10.166 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.259 -8.250 8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.165 -9.525 9.687 1.00 0.00 H new ATOM 308 N LEU A 40 -1.408 -10.450 5.588 1.00 0.00 N ATOM 309 CA LEU A 40 -0.989 -11.476 4.639 1.00 0.00 C ATOM 310 C LEU A 40 0.486 -11.305 4.252 1.00 0.00 C ATOM 311 O LEU A 40 1.230 -12.282 4.171 1.00 0.00 O ATOM 312 CB LEU A 40 -1.881 -11.418 3.386 1.00 0.00 C ATOM 313 CG LEU A 40 -3.149 -12.269 3.599 1.00 0.00 C ATOM 314 CD1 LEU A 40 -2.791 -13.775 3.638 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.828 -11.859 4.919 1.00 0.00 C ATOM 0 H LEU A 40 -2.046 -9.750 5.208 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.097 -12.451 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.158 -10.385 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.329 -11.784 2.520 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.833 -12.097 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.698 -14.361 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.326 -14.063 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.097 -13.963 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.724 -12.461 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.139 -12.021 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.102 -10.805 4.875 1.00 0.00 H new ATOM 327 N TRP A 41 0.896 -10.064 4.002 1.00 0.00 N ATOM 328 CA TRP A 41 2.275 -9.788 3.607 1.00 0.00 C ATOM 329 C TRP A 41 3.247 -10.032 4.760 1.00 0.00 C ATOM 330 O TRP A 41 4.290 -10.663 4.577 1.00 0.00 O ATOM 331 CB TRP A 41 2.389 -8.344 3.099 1.00 0.00 C ATOM 332 CG TRP A 41 3.826 -7.984 2.903 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.564 -8.275 1.808 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.697 -7.234 3.794 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.844 -7.780 1.988 1.00 0.00 N ATOM 336 CE2 TRP A 41 5.971 -7.126 3.196 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.508 -6.647 5.058 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.016 -6.461 3.827 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.562 -5.970 5.691 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.811 -5.879 5.075 1.00 0.00 C ATOM 0 H TRP A 41 0.299 -9.240 4.065 1.00 0.00 H new ATOM 0 HA TRP A 41 2.545 -10.473 2.804 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.847 -8.236 2.159 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.928 -7.661 3.813 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.212 -8.806 0.936 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.600 -7.886 1.311 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.546 -6.718 5.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.983 -6.396 3.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.406 -5.517 6.659 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.619 -5.357 5.567 1.00 0.00 H new ATOM 351 N ILE A 42 2.915 -9.524 5.936 1.00 0.00 N ATOM 352 CA ILE A 42 3.784 -9.690 7.095 1.00 0.00 C ATOM 353 C ILE A 42 3.873 -11.163 7.483 1.00 0.00 C ATOM 354 O ILE A 42 4.938 -11.657 7.853 1.00 0.00 O ATOM 355 CB ILE A 42 3.253 -8.861 8.276 1.00 0.00 C ATOM 356 CG1 ILE A 42 4.345 -8.719 9.340 1.00 0.00 C ATOM 357 CG2 ILE A 42 2.027 -9.543 8.905 1.00 0.00 C ATOM 358 CD1 ILE A 42 3.880 -7.718 10.400 1.00 0.00 C ATOM 0 H ILE A 42 2.060 -8.998 6.115 1.00 0.00 H new ATOM 0 HA ILE A 42 4.783 -9.337 6.838 1.00 0.00 H new ATOM 0 HB ILE A 42 2.965 -7.878 7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.551 -9.686 9.800 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.274 -8.379 8.883 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.665 -8.942 9.739 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.240 -9.638 8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.306 -10.533 9.265 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.652 -7.610 11.162 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.696 -6.751 9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.961 -8.078 10.862 1.00 0.00 H new ATOM 370 N LEU A 43 2.744 -11.860 7.402 1.00 0.00 N ATOM 371 CA LEU A 43 2.706 -13.274 7.753 1.00 0.00 C ATOM 372 C LEU A 43 3.618 -14.074 6.830 1.00 0.00 C ATOM 373 O LEU A 43 4.327 -14.975 7.270 1.00 0.00 O ATOM 374 CB LEU A 43 1.268 -13.804 7.652 1.00 0.00 C ATOM 375 CG LEU A 43 1.219 -15.298 8.013 1.00 0.00 C ATOM 376 CD1 LEU A 43 1.764 -15.522 9.434 1.00 0.00 C ATOM 377 CD2 LEU A 43 -0.233 -15.782 7.935 1.00 0.00 C ATOM 0 H LEU A 43 1.851 -11.472 7.099 1.00 0.00 H new ATOM 0 HA LEU A 43 3.057 -13.387 8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.618 -13.240 8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.889 -13.655 6.641 1.00 0.00 H new ATOM 0 HG LEU A 43 1.836 -15.859 7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.723 -16.584 9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.797 -15.177 9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.159 -14.964 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.278 -16.841 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.844 -15.214 8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.611 -15.636 6.923 1.00 0.00 H new ATOM 389 N ASP A 44 3.592 -13.747 5.546 1.00 0.00 N ATOM 390 CA ASP A 44 4.424 -14.456 4.581 1.00 0.00 C ATOM 391 C ASP A 44 5.903 -14.267 4.910 1.00 0.00 C ATOM 392 O ASP A 44 6.694 -15.207 4.816 1.00 0.00 O ATOM 393 CB ASP A 44 4.140 -13.943 3.171 1.00 0.00 C ATOM 394 CG ASP A 44 5.042 -14.654 2.171 1.00 0.00 C ATOM 395 OD1 ASP A 44 4.925 -15.863 2.054 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.839 -13.982 1.538 1.00 0.00 O ATOM 0 H ASP A 44 3.013 -13.006 5.151 1.00 0.00 H new ATOM 0 HA ASP A 44 4.186 -15.518 4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.094 -14.113 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.308 -12.867 3.125 1.00 0.00 H new ATOM 630 N VAL B 28 -9.453 8.161 -6.118 1.00 0.00 N ATOM 631 CA VAL B 28 -9.605 6.960 -6.931 1.00 0.00 C ATOM 632 C VAL B 28 -8.245 6.322 -7.194 1.00 0.00 C ATOM 633 O VAL B 28 -8.093 5.103 -7.113 1.00 0.00 O ATOM 634 CB VAL B 28 -10.282 7.305 -8.259 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.333 6.058 -9.147 1.00 0.00 C ATOM 636 CG2 VAL B 28 -11.705 7.797 -7.989 1.00 0.00 C ATOM 0 HA VAL B 28 -10.228 6.250 -6.387 1.00 0.00 H new ATOM 0 HB VAL B 28 -9.715 8.086 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -10.815 6.304 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -9.319 5.705 -9.338 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -10.901 5.276 -8.643 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.190 8.044 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.271 7.014 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.669 8.684 -7.357 1.00 0.00 H new ATOM 646 N ALA B 29 -7.260 7.156 -7.514 1.00 0.00 N ATOM 647 CA ALA B 29 -5.919 6.661 -7.794 1.00 0.00 C ATOM 648 C ALA B 29 -5.395 5.856 -6.609 1.00 0.00 C ATOM 649 O ALA B 29 -4.618 4.922 -6.774 1.00 0.00 O ATOM 650 CB ALA B 29 -4.977 7.832 -8.077 1.00 0.00 C ATOM 0 H ALA B 29 -7.365 8.168 -7.585 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.962 6.015 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.977 7.452 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.340 8.391 -8.940 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -4.942 8.489 -7.208 1.00 0.00 H new ATOM 656 N ALA B 30 -5.825 6.219 -5.410 1.00 0.00 N ATOM 657 CA ALA B 30 -5.386 5.504 -4.220 1.00 0.00 C ATOM 658 C ALA B 30 -6.075 4.139 -4.129 1.00 0.00 C ATOM 659 O ALA B 30 -5.446 3.138 -3.781 1.00 0.00 O ATOM 660 CB ALA B 30 -5.696 6.328 -2.968 1.00 0.00 C ATOM 0 H ALA B 30 -6.467 6.992 -5.235 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.309 5.348 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.364 5.785 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.175 7.284 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -6.770 6.503 -2.904 1.00 0.00 H new ATOM 666 N SER B 31 -7.372 4.112 -4.432 1.00 0.00 N ATOM 667 CA SER B 31 -8.144 2.872 -4.369 1.00 0.00 C ATOM 668 C SER B 31 -7.721 1.878 -5.450 1.00 0.00 C ATOM 669 O SER B 31 -7.572 0.689 -5.178 1.00 0.00 O ATOM 670 CB SER B 31 -9.632 3.184 -4.526 1.00 0.00 C ATOM 671 OG SER B 31 -9.842 3.841 -5.769 1.00 0.00 O ATOM 0 H SER B 31 -7.908 4.930 -4.722 1.00 0.00 H new ATOM 0 HA SER B 31 -7.952 2.415 -3.398 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.215 2.264 -4.484 1.00 0.00 H new ATOM 0 HB3 SER B 31 -9.972 3.815 -3.705 1.00 0.00 H new ATOM 0 HG SER B 31 -9.003 4.249 -6.069 1.00 0.00 H new ATOM 677 N ILE B 32 -7.539 2.361 -6.673 1.00 0.00 N ATOM 678 CA ILE B 32 -7.149 1.485 -7.770 1.00 0.00 C ATOM 679 C ILE B 32 -5.754 0.915 -7.531 1.00 0.00 C ATOM 680 O ILE B 32 -5.482 -0.230 -7.877 1.00 0.00 O ATOM 681 CB ILE B 32 -7.181 2.267 -9.084 1.00 0.00 C ATOM 682 CG1 ILE B 32 -7.027 1.314 -10.267 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.037 3.277 -9.099 1.00 0.00 C ATOM 684 CD1 ILE B 32 -7.330 2.069 -11.562 1.00 0.00 C ATOM 0 H ILE B 32 -7.653 3.342 -6.928 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.852 0.654 -7.827 1.00 0.00 H new ATOM 0 HB ILE B 32 -8.136 2.786 -9.166 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -6.015 0.911 -10.295 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -7.705 0.467 -10.158 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.057 3.836 -10.035 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -6.149 3.966 -8.262 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.086 2.751 -9.011 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -7.222 1.394 -12.411 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.350 2.451 -11.530 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.634 2.901 -11.669 1.00 0.00 H new ATOM 696 N ILE B 33 -4.875 1.718 -6.939 1.00 0.00 N ATOM 697 CA ILE B 33 -3.514 1.265 -6.661 1.00 0.00 C ATOM 698 C ILE B 33 -3.539 0.081 -5.697 1.00 0.00 C ATOM 699 O ILE B 33 -2.844 -0.911 -5.906 1.00 0.00 O ATOM 700 CB ILE B 33 -2.693 2.423 -6.056 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.254 3.379 -7.171 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.448 1.887 -5.326 1.00 0.00 C ATOM 703 CD1 ILE B 33 -1.772 4.697 -6.557 1.00 0.00 C ATOM 0 H ILE B 33 -5.076 2.674 -6.645 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.049 0.946 -7.594 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.320 2.952 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.455 2.926 -7.759 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.084 3.565 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.884 2.721 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.757 1.218 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.820 1.342 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.460 5.376 -7.351 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.583 5.152 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.929 4.503 -5.894 1.00 0.00 H new ATOM 715 N GLY B 34 -4.335 0.191 -4.640 1.00 0.00 N ATOM 716 CA GLY B 34 -4.417 -0.882 -3.658 1.00 0.00 C ATOM 717 C GLY B 34 -4.916 -2.176 -4.297 1.00 0.00 C ATOM 718 O GLY B 34 -4.291 -3.225 -4.156 1.00 0.00 O ATOM 0 H GLY B 34 -4.925 1.000 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.436 -1.047 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -5.088 -0.589 -2.850 1.00 0.00 H new ATOM 722 N ILE B 35 -6.041 -2.097 -4.998 1.00 0.00 N ATOM 723 CA ILE B 35 -6.604 -3.273 -5.649 1.00 0.00 C ATOM 724 C ILE B 35 -5.716 -3.735 -6.802 1.00 0.00 C ATOM 725 O ILE B 35 -5.461 -4.925 -6.961 1.00 0.00 O ATOM 726 CB ILE B 35 -8.003 -2.957 -6.181 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.872 -2.376 -5.053 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.649 -4.235 -6.727 1.00 0.00 C ATOM 729 CD1 ILE B 35 -8.902 -3.319 -3.846 1.00 0.00 C ATOM 0 H ILE B 35 -6.577 -1.239 -5.129 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.664 -4.073 -4.911 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.923 -2.224 -6.983 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.481 -1.404 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -9.886 -2.212 -5.417 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.645 -4.006 -7.105 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.037 -4.635 -7.535 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.725 -4.974 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -9.523 -2.886 -3.062 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.316 -4.282 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -7.889 -3.461 -3.470 1.00 0.00 H new ATOM 741 N LEU B 36 -5.254 -2.787 -7.612 1.00 0.00 N ATOM 742 CA LEU B 36 -4.408 -3.117 -8.756 1.00 0.00 C ATOM 743 C LEU B 36 -3.111 -3.765 -8.293 1.00 0.00 C ATOM 744 O LEU B 36 -2.685 -4.785 -8.836 1.00 0.00 O ATOM 745 CB LEU B 36 -4.086 -1.845 -9.553 1.00 0.00 C ATOM 746 CG LEU B 36 -3.204 -2.176 -10.768 1.00 0.00 C ATOM 747 CD1 LEU B 36 -3.920 -3.173 -11.697 1.00 0.00 C ATOM 748 CD2 LEU B 36 -2.906 -0.881 -11.531 1.00 0.00 C ATOM 0 H LEU B 36 -5.449 -1.792 -7.500 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.947 -3.820 -9.391 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.011 -1.374 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.576 -1.127 -8.911 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.274 -2.630 -10.425 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.282 -3.396 -12.552 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.130 -4.093 -11.151 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.856 -2.737 -12.047 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.281 -1.104 -12.395 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.841 -0.432 -11.866 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.384 -0.184 -10.875 1.00 0.00 H new ATOM 760 N HIS B 37 -2.488 -3.171 -7.285 1.00 0.00 N ATOM 761 CA HIS B 37 -1.242 -3.706 -6.758 1.00 0.00 C ATOM 762 C HIS B 37 -1.475 -5.073 -6.128 1.00 0.00 C ATOM 763 O HIS B 37 -0.665 -5.985 -6.290 1.00 0.00 O ATOM 764 CB HIS B 37 -0.654 -2.759 -5.716 1.00 0.00 C ATOM 765 CG HIS B 37 0.652 -3.318 -5.229 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.854 -2.664 -5.422 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.959 -4.478 -4.567 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.821 -3.431 -4.886 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.329 -4.546 -4.351 1.00 0.00 N ATOM 0 H HIS B 37 -2.821 -2.327 -6.820 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.539 -3.808 -7.585 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.502 -1.770 -6.149 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.346 -2.639 -4.883 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.243 -5.226 -4.260 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.870 -3.173 -4.889 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.847 -5.290 -3.883 1.00 0.00 H new ATOM 777 N LEU B 38 -2.579 -5.207 -5.399 1.00 0.00 N ATOM 778 CA LEU B 38 -2.895 -6.469 -4.735 1.00 0.00 C ATOM 779 C LEU B 38 -3.057 -7.602 -5.743 1.00 0.00 C ATOM 780 O LEU B 38 -2.597 -8.711 -5.495 1.00 0.00 O ATOM 781 CB LEU B 38 -4.183 -6.319 -3.892 1.00 0.00 C ATOM 782 CG LEU B 38 -3.852 -5.870 -2.455 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.105 -5.287 -1.785 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.357 -7.076 -1.631 1.00 0.00 C ATOM 0 H LEU B 38 -3.264 -4.466 -5.253 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.063 -6.720 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.846 -5.592 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.718 -7.268 -3.866 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.073 -5.109 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.862 -4.972 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.457 -4.428 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.887 -6.046 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -3.125 -6.753 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -4.135 -7.839 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.461 -7.490 -2.094 1.00 0.00 H new ATOM 796 N ILE B 39 -3.704 -7.327 -6.864 1.00 0.00 N ATOM 797 CA ILE B 39 -3.904 -8.360 -7.873 1.00 0.00 C ATOM 798 C ILE B 39 -2.557 -8.833 -8.419 1.00 0.00 C ATOM 799 O ILE B 39 -2.324 -10.032 -8.571 1.00 0.00 O ATOM 800 CB ILE B 39 -4.765 -7.798 -9.008 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.180 -7.536 -8.484 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.836 -8.811 -10.156 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.918 -6.620 -9.461 1.00 0.00 C ATOM 0 H ILE B 39 -4.095 -6.414 -7.098 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.412 -9.212 -7.421 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.323 -6.870 -9.370 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.719 -8.477 -8.372 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.135 -7.074 -7.498 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.450 -8.406 -10.961 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.831 -9.008 -10.530 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.278 -9.740 -9.795 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.926 -6.431 -9.092 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.381 -5.676 -9.551 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.974 -7.100 -10.438 1.00 0.00 H new ATOM 815 N LEU B 40 -1.669 -7.892 -8.708 1.00 0.00 N ATOM 816 CA LEU B 40 -0.347 -8.242 -9.219 1.00 0.00 C ATOM 817 C LEU B 40 0.515 -8.889 -8.127 1.00 0.00 C ATOM 818 O LEU B 40 1.210 -9.874 -8.375 1.00 0.00 O ATOM 819 CB LEU B 40 0.344 -6.984 -9.774 1.00 0.00 C ATOM 820 CG LEU B 40 -0.058 -6.762 -11.244 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.557 -7.860 -12.147 1.00 0.00 C ATOM 822 CD2 LEU B 40 -1.593 -6.785 -11.366 1.00 0.00 C ATOM 0 H LEU B 40 -1.835 -6.891 -8.600 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.468 -8.970 -10.022 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.066 -6.115 -9.178 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.426 -7.091 -9.697 1.00 0.00 H new ATOM 0 HG LEU B 40 0.320 -5.793 -11.570 1.00 0.00 H new ATOM 0 HD11 LEU B 40 0.262 -7.687 -13.182 1.00 0.00 H new ATOM 0 HD12 LEU B 40 1.644 -7.829 -12.069 1.00 0.00 H new ATOM 0 HD13 LEU B 40 0.198 -8.838 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.878 -6.628 -12.406 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -1.970 -7.750 -11.028 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.019 -5.993 -10.750 1.00 0.00 H new ATOM 834 N TRP B 41 0.477 -8.321 -6.922 1.00 0.00 N ATOM 835 CA TRP B 41 1.269 -8.844 -5.813 1.00 0.00 C ATOM 836 C TRP B 41 0.757 -10.206 -5.348 1.00 0.00 C ATOM 837 O TRP B 41 1.541 -11.133 -5.142 1.00 0.00 O ATOM 838 CB TRP B 41 1.261 -7.836 -4.654 1.00 0.00 C ATOM 839 CG TRP B 41 1.879 -8.451 -3.439 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.205 -8.508 -3.183 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.215 -9.051 -2.292 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.397 -9.141 -1.969 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.198 -9.487 -1.380 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.135 -9.266 -1.963 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.858 -10.113 -0.186 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.480 -9.892 -0.754 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.516 -10.313 0.130 1.00 0.00 C ATOM 0 H TRP B 41 -0.090 -7.505 -6.691 1.00 0.00 H new ATOM 0 HA TRP B 41 2.292 -8.986 -6.160 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.811 -6.939 -4.937 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.238 -7.528 -4.436 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.986 -8.123 -3.822 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.312 -9.329 -1.559 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.911 -8.948 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.630 -10.443 0.493 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.520 -10.048 -0.507 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.246 -10.794 1.059 1.00 0.00 H new ATOM 858 N ILE B 42 -0.551 -10.320 -5.171 1.00 0.00 N ATOM 859 CA ILE B 42 -1.137 -11.575 -4.716 1.00 0.00 C ATOM 860 C ILE B 42 -0.937 -12.664 -5.767 1.00 0.00 C ATOM 861 O ILE B 42 -0.662 -13.817 -5.435 1.00 0.00 O ATOM 862 CB ILE B 42 -2.634 -11.384 -4.427 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.155 -12.560 -3.594 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.431 -11.311 -5.739 1.00 0.00 C ATOM 865 CD1 ILE B 42 -4.580 -12.253 -3.133 1.00 0.00 C ATOM 0 H ILE B 42 -1.222 -9.569 -5.333 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.638 -11.882 -3.797 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.762 -10.452 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.140 -13.476 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.508 -12.726 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.489 -11.176 -5.515 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.076 -10.470 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.294 -12.236 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.958 -13.086 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.579 -11.347 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.220 -12.108 -4.003 1.00 0.00 H new ATOM 877 N LEU B 43 -1.085 -12.291 -7.034 1.00 0.00 N ATOM 878 CA LEU B 43 -0.924 -13.246 -8.121 1.00 0.00 C ATOM 879 C LEU B 43 0.496 -13.801 -8.136 1.00 0.00 C ATOM 880 O LEU B 43 0.705 -14.992 -8.349 1.00 0.00 O ATOM 881 CB LEU B 43 -1.233 -12.571 -9.465 1.00 0.00 C ATOM 882 CG LEU B 43 -1.058 -13.568 -10.621 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.980 -14.785 -10.421 1.00 0.00 C ATOM 884 CD2 LEU B 43 -1.407 -12.870 -11.940 1.00 0.00 C ATOM 0 H LEU B 43 -1.314 -11.342 -7.330 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.621 -14.069 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -2.253 -12.187 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.571 -11.717 -9.610 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.024 -13.913 -10.645 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.846 -15.483 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.730 -15.281 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -3.018 -14.454 -10.391 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -1.285 -13.571 -12.766 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.440 -12.524 -11.907 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.744 -12.017 -12.087 1.00 0.00 H new ATOM 896 N ASP B 44 1.472 -12.930 -7.918 1.00 0.00 N ATOM 897 CA ASP B 44 2.864 -13.360 -7.917 1.00 0.00 C ATOM 898 C ASP B 44 3.112 -14.374 -6.803 1.00 0.00 C ATOM 899 O ASP B 44 3.820 -15.362 -6.995 1.00 0.00 O ATOM 900 CB ASP B 44 3.783 -12.153 -7.729 1.00 0.00 C ATOM 901 CG ASP B 44 5.235 -12.612 -7.686 1.00 0.00 C ATOM 902 OD1 ASP B 44 5.693 -13.157 -8.676 1.00 0.00 O ATOM 903 OD2 ASP B 44 5.869 -12.410 -6.663 1.00 0.00 O ATOM 0 H ASP B 44 1.330 -11.935 -7.742 1.00 0.00 H new ATOM 0 HA ASP B 44 3.080 -13.833 -8.875 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.640 -11.445 -8.545 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.529 -11.631 -6.806 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.685 13.875 -0.636 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.642 13.718 -1.644 1.00 0.00 C ATOM 1139 C VAL C 28 0.364 12.661 -1.207 1.00 0.00 C ATOM 1140 O VAL C 28 0.787 11.822 -2.003 1.00 0.00 O ATOM 1141 CB VAL C 28 0.073 15.052 -1.874 1.00 0.00 C ATOM 1142 CG1 VAL C 28 1.234 14.847 -2.851 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -0.915 16.061 -2.461 1.00 0.00 C ATOM 0 HA VAL C 28 -1.107 13.397 -2.576 1.00 0.00 H new ATOM 0 HB VAL C 28 0.459 15.428 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.743 15.797 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.937 14.125 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.849 14.473 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.409 17.012 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.299 15.685 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -1.743 16.206 -1.767 1.00 0.00 H new ATOM 1153 N ALA C 29 0.750 12.709 0.065 1.00 0.00 N ATOM 1154 CA ALA C 29 1.711 11.754 0.596 1.00 0.00 C ATOM 1155 C ALA C 29 1.215 10.328 0.380 1.00 0.00 C ATOM 1156 O ALA C 29 2.003 9.403 0.211 1.00 0.00 O ATOM 1157 CB ALA C 29 1.927 12.003 2.090 1.00 0.00 C ATOM 0 H ALA C 29 0.414 13.395 0.741 1.00 0.00 H new ATOM 0 HA ALA C 29 2.657 11.884 0.070 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.648 11.283 2.478 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.307 13.014 2.239 1.00 0.00 H new ATOM 0 HB3 ALA C 29 0.980 11.890 2.618 1.00 0.00 H new ATOM 1163 N ALA C 30 -0.098 10.150 0.388 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.665 8.825 0.180 1.00 0.00 C ATOM 1165 C ALA C 30 -0.545 8.413 -1.289 1.00 0.00 C ATOM 1166 O ALA C 30 -0.227 7.264 -1.596 1.00 0.00 O ATOM 1167 CB ALA C 30 -2.135 8.813 0.608 1.00 0.00 C ATOM 0 H ALA C 30 -0.782 10.893 0.534 1.00 0.00 H new ATOM 0 HA ALA C 30 -0.109 8.110 0.787 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.552 7.819 0.449 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -2.209 9.073 1.664 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.692 9.539 0.016 1.00 0.00 H new ATOM 1173 N SER C 31 -0.818 9.356 -2.190 1.00 0.00 N ATOM 1174 CA SER C 31 -0.754 9.080 -3.625 1.00 0.00 C ATOM 1175 C SER C 31 0.679 8.836 -4.100 1.00 0.00 C ATOM 1176 O SER C 31 0.930 7.914 -4.872 1.00 0.00 O ATOM 1177 CB SER C 31 -1.346 10.258 -4.401 1.00 0.00 C ATOM 1178 OG SER C 31 -0.617 11.436 -4.088 1.00 0.00 O ATOM 0 H SER C 31 -1.084 10.312 -1.954 1.00 0.00 H new ATOM 0 HA SER C 31 -1.329 8.173 -3.810 1.00 0.00 H new ATOM 0 HB2 SER C 31 -1.302 10.062 -5.472 1.00 0.00 H new ATOM 0 HB3 SER C 31 -2.397 10.387 -4.144 1.00 0.00 H new ATOM 0 HG SER C 31 -0.217 11.346 -3.198 1.00 0.00 H new ATOM 1184 N ILE C 32 1.613 9.665 -3.646 1.00 0.00 N ATOM 1185 CA ILE C 32 3.004 9.516 -4.055 1.00 0.00 C ATOM 1186 C ILE C 32 3.576 8.204 -3.531 1.00 0.00 C ATOM 1187 O ILE C 32 4.380 7.565 -4.202 1.00 0.00 O ATOM 1188 CB ILE C 32 3.818 10.698 -3.527 1.00 0.00 C ATOM 1189 CG1 ILE C 32 5.211 10.698 -4.156 1.00 0.00 C ATOM 1190 CG2 ILE C 32 3.949 10.585 -2.011 1.00 0.00 C ATOM 1191 CD1 ILE C 32 5.905 12.023 -3.830 1.00 0.00 C ATOM 0 H ILE C 32 1.436 10.437 -3.003 1.00 0.00 H new ATOM 0 HA ILE C 32 3.057 9.500 -5.144 1.00 0.00 H new ATOM 0 HB ILE C 32 3.309 11.626 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE C 32 5.797 9.862 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE C 32 5.137 10.568 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE C 32 4.529 11.427 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE C 32 2.957 10.595 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE C 32 4.454 9.653 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE C 32 6.900 12.032 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE C 32 5.320 12.849 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE C 32 5.990 12.133 -2.749 1.00 0.00 H new ATOM 1203 N ILE C 33 3.162 7.808 -2.331 1.00 0.00 N ATOM 1204 CA ILE C 33 3.650 6.562 -1.742 1.00 0.00 C ATOM 1205 C ILE C 33 3.245 5.374 -2.613 1.00 0.00 C ATOM 1206 O ILE C 33 4.056 4.491 -2.884 1.00 0.00 O ATOM 1207 CB ILE C 33 3.079 6.397 -0.318 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.865 7.281 0.657 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.169 4.932 0.141 1.00 0.00 C ATOM 1210 CD1 ILE C 33 3.091 7.400 1.974 1.00 0.00 C ATOM 0 H ILE C 33 2.498 8.323 -1.752 1.00 0.00 H new ATOM 0 HA ILE C 33 4.738 6.598 -1.686 1.00 0.00 H new ATOM 0 HB ILE C 33 2.031 6.697 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.851 6.853 0.839 1.00 0.00 H new ATOM 0 HG13 ILE C 33 4.022 8.269 0.224 1.00 0.00 H new ATOM 0 HG21 ILE C 33 2.761 4.840 1.147 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.599 4.301 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.212 4.615 0.142 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.649 8.028 2.668 1.00 0.00 H new ATOM 0 HD12 ILE C 33 2.115 7.847 1.784 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.957 6.409 2.408 1.00 0.00 H new ATOM 1222 N GLY C 34 1.988 5.351 -3.043 1.00 0.00 N ATOM 1223 CA GLY C 34 1.506 4.253 -3.871 1.00 0.00 C ATOM 1224 C GLY C 34 2.294 4.159 -5.174 1.00 0.00 C ATOM 1225 O GLY C 34 2.806 3.097 -5.524 1.00 0.00 O ATOM 0 H GLY C 34 1.294 6.069 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.592 3.315 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.448 4.397 -4.092 1.00 0.00 H new ATOM 1229 N ILE C 35 2.389 5.274 -5.890 1.00 0.00 N ATOM 1230 CA ILE C 35 3.119 5.296 -7.152 1.00 0.00 C ATOM 1231 C ILE C 35 4.617 5.113 -6.920 1.00 0.00 C ATOM 1232 O ILE C 35 5.274 4.360 -7.632 1.00 0.00 O ATOM 1233 CB ILE C 35 2.873 6.623 -7.875 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.361 6.873 -8.006 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.516 6.582 -9.264 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.674 5.693 -8.699 1.00 0.00 C ATOM 0 H ILE C 35 1.974 6.166 -5.622 1.00 0.00 H new ATOM 0 HA ILE C 35 2.759 4.471 -7.767 1.00 0.00 H new ATOM 0 HB ILE C 35 3.319 7.433 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.926 7.024 -7.018 1.00 0.00 H new ATOM 0 HG13 ILE C 35 1.187 7.786 -8.575 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.339 7.528 -9.775 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.589 6.419 -9.164 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.079 5.769 -9.844 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.395 5.891 -8.781 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.096 5.560 -9.695 1.00 0.00 H new ATOM 0 HD13 ILE C 35 0.831 4.786 -8.115 1.00 0.00 H new ATOM 1248 N LEU C 36 5.153 5.814 -5.926 1.00 0.00 N ATOM 1249 CA LEU C 36 6.580 5.724 -5.627 1.00 0.00 C ATOM 1250 C LEU C 36 6.956 4.305 -5.223 1.00 0.00 C ATOM 1251 O LEU C 36 7.945 3.752 -5.706 1.00 0.00 O ATOM 1252 CB LEU C 36 6.934 6.689 -4.487 1.00 0.00 C ATOM 1253 CG LEU C 36 8.437 6.617 -4.164 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.271 6.985 -5.405 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.745 7.594 -3.027 1.00 0.00 C ATOM 0 H LEU C 36 4.629 6.444 -5.319 1.00 0.00 H new ATOM 0 HA LEU C 36 7.137 5.994 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.665 7.707 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.353 6.440 -3.599 1.00 0.00 H new ATOM 0 HG LEU C 36 8.694 5.601 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.332 6.929 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.048 6.288 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.024 7.998 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU C 36 9.808 7.552 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.482 8.606 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.165 7.321 -2.146 1.00 0.00 H new ATOM 1267 N HIS C 37 6.159 3.718 -4.339 1.00 0.00 N ATOM 1268 CA HIS C 37 6.422 2.361 -3.884 1.00 0.00 C ATOM 1269 C HIS C 37 6.278 1.377 -5.038 1.00 0.00 C ATOM 1270 O HIS C 37 7.069 0.446 -5.170 1.00 0.00 O ATOM 1271 CB HIS C 37 5.457 1.975 -2.763 1.00 0.00 C ATOM 1272 CG HIS C 37 5.781 0.583 -2.297 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.213 0.316 -1.011 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.758 -0.627 -2.939 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.434 -1.010 -0.924 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.169 -1.630 -2.071 1.00 0.00 N ATOM 0 H HIS C 37 5.334 4.155 -3.927 1.00 0.00 H new ATOM 0 HA HIS C 37 7.443 2.323 -3.505 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.541 2.679 -1.935 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.428 2.023 -3.119 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.464 -0.778 -3.967 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.784 -1.509 -0.032 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.250 -2.627 -2.270 1.00 0.00 H new ATOM 1284 N LEU C 38 5.257 1.582 -5.866 1.00 0.00 N ATOM 1285 CA LEU C 38 5.012 0.691 -6.997 1.00 0.00 C ATOM 1286 C LEU C 38 6.190 0.686 -7.963 1.00 0.00 C ATOM 1287 O LEU C 38 6.562 -0.366 -8.469 1.00 0.00 O ATOM 1288 CB LEU C 38 3.720 1.109 -7.736 1.00 0.00 C ATOM 1289 CG LEU C 38 2.491 0.394 -7.141 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.209 1.141 -7.545 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.416 -1.051 -7.673 1.00 0.00 C ATOM 0 H LEU C 38 4.591 2.350 -5.777 1.00 0.00 H new ATOM 0 HA LEU C 38 4.891 -0.320 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.588 2.189 -7.664 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.808 0.869 -8.796 1.00 0.00 H new ATOM 0 HG LEU C 38 2.584 0.381 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.343 0.632 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.249 2.163 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.125 1.158 -8.632 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.545 -1.550 -7.248 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.331 -1.035 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.319 -1.591 -7.388 1.00 0.00 H new ATOM 1303 N ILE C 39 6.767 1.849 -8.222 1.00 0.00 N ATOM 1304 CA ILE C 39 7.895 1.926 -9.143 1.00 0.00 C ATOM 1305 C ILE C 39 9.075 1.122 -8.598 1.00 0.00 C ATOM 1306 O ILE C 39 9.720 0.372 -9.331 1.00 0.00 O ATOM 1307 CB ILE C 39 8.293 3.391 -9.332 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.176 4.125 -10.079 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.586 3.476 -10.150 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.368 5.633 -9.919 1.00 0.00 C ATOM 0 H ILE C 39 6.481 2.740 -7.816 1.00 0.00 H new ATOM 0 HA ILE C 39 7.607 1.504 -10.106 1.00 0.00 H new ATOM 0 HB ILE C 39 8.451 3.850 -8.356 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.190 3.855 -11.135 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.204 3.827 -9.687 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.865 4.521 -10.282 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.384 2.951 -9.625 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.430 3.016 -11.126 1.00 0.00 H new ATOM 0 HD11 ILE C 39 6.574 6.159 -10.450 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.332 5.894 -8.861 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.334 5.923 -10.332 1.00 0.00 H new ATOM 1322 N LEU C 40 9.354 1.274 -7.310 1.00 0.00 N ATOM 1323 CA LEU C 40 10.451 0.538 -6.691 1.00 0.00 C ATOM 1324 C LEU C 40 10.116 -0.954 -6.565 1.00 0.00 C ATOM 1325 O LEU C 40 10.960 -1.810 -6.831 1.00 0.00 O ATOM 1326 CB LEU C 40 10.759 1.136 -5.306 1.00 0.00 C ATOM 1327 CG LEU C 40 11.751 2.308 -5.443 1.00 0.00 C ATOM 1328 CD1 LEU C 40 13.149 1.788 -5.860 1.00 0.00 C ATOM 1329 CD2 LEU C 40 11.228 3.304 -6.494 1.00 0.00 C ATOM 0 H LEU C 40 8.844 1.892 -6.679 1.00 0.00 H new ATOM 0 HA LEU C 40 11.331 0.629 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU C 40 9.838 1.482 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.178 0.369 -4.655 1.00 0.00 H new ATOM 0 HG LEU C 40 11.841 2.809 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU C 40 13.837 2.628 -5.952 1.00 0.00 H new ATOM 0 HD12 LEU C 40 13.520 1.096 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU C 40 13.075 1.273 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.929 4.133 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU C 40 11.127 2.800 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU C 40 10.256 3.686 -6.181 1.00 0.00 H new ATOM 1341 N TRP C 41 8.889 -1.257 -6.146 1.00 0.00 N ATOM 1342 CA TRP C 41 8.468 -2.645 -5.976 1.00 0.00 C ATOM 1343 C TRP C 41 8.344 -3.364 -7.318 1.00 0.00 C ATOM 1344 O TRP C 41 8.820 -4.489 -7.471 1.00 0.00 O ATOM 1345 CB TRP C 41 7.140 -2.693 -5.210 1.00 0.00 C ATOM 1346 CG TRP C 41 6.590 -4.083 -5.220 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.946 -5.070 -4.367 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.563 -4.642 -6.085 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.225 -6.209 -4.678 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.356 -5.990 -5.725 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.801 -4.114 -7.140 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.431 -6.785 -6.388 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.861 -4.915 -7.806 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.678 -6.247 -7.431 1.00 0.00 C ATOM 0 H TRP C 41 8.174 -0.566 -5.920 1.00 0.00 H new ATOM 0 HA TRP C 41 9.233 -3.166 -5.400 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.292 -2.361 -4.183 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.425 -2.007 -5.664 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.673 -4.983 -3.573 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.324 -7.101 -4.192 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.939 -3.086 -7.440 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.295 -7.816 -6.097 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.276 -4.499 -8.613 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.954 -6.860 -7.948 1.00 0.00 H new ATOM 1365 N ILE C 42 7.696 -2.722 -8.277 1.00 0.00 N ATOM 1366 CA ILE C 42 7.514 -3.330 -9.589 1.00 0.00 C ATOM 1367 C ILE C 42 8.862 -3.509 -10.282 1.00 0.00 C ATOM 1368 O ILE C 42 9.103 -4.521 -10.941 1.00 0.00 O ATOM 1369 CB ILE C 42 6.584 -2.457 -10.450 1.00 0.00 C ATOM 1370 CG1 ILE C 42 6.083 -3.265 -11.651 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.333 -1.215 -10.959 1.00 0.00 C ATOM 1372 CD1 ILE C 42 4.999 -2.464 -12.373 1.00 0.00 C ATOM 0 H ILE C 42 7.291 -1.791 -8.176 1.00 0.00 H new ATOM 0 HA ILE C 42 7.057 -4.311 -9.461 1.00 0.00 H new ATOM 0 HB ILE C 42 5.740 -2.141 -9.837 1.00 0.00 H new ATOM 0 HG12 ILE C 42 6.908 -3.480 -12.331 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.685 -4.224 -11.320 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.661 -0.608 -11.566 1.00 0.00 H new ATOM 0 HG22 ILE C 42 7.684 -0.628 -10.110 1.00 0.00 H new ATOM 0 HG23 ILE C 42 8.186 -1.526 -11.562 1.00 0.00 H new ATOM 0 HD11 ILE C 42 4.637 -3.032 -13.230 1.00 0.00 H new ATOM 0 HD12 ILE C 42 4.172 -2.272 -11.689 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.414 -1.516 -12.716 1.00 0.00 H new ATOM 1384 N LEU C 43 9.736 -2.517 -10.133 1.00 0.00 N ATOM 1385 CA LEU C 43 11.052 -2.576 -10.753 1.00 0.00 C ATOM 1386 C LEU C 43 11.845 -3.757 -10.206 1.00 0.00 C ATOM 1387 O LEU C 43 12.529 -4.455 -10.950 1.00 0.00 O ATOM 1388 CB LEU C 43 11.817 -1.270 -10.491 1.00 0.00 C ATOM 1389 CG LEU C 43 13.211 -1.324 -11.136 1.00 0.00 C ATOM 1390 CD1 LEU C 43 13.090 -1.566 -12.650 1.00 0.00 C ATOM 1391 CD2 LEU C 43 13.928 0.006 -10.882 1.00 0.00 C ATOM 0 H LEU C 43 9.557 -1.671 -9.593 1.00 0.00 H new ATOM 0 HA LEU C 43 10.923 -2.706 -11.827 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.256 -0.426 -10.893 1.00 0.00 H new ATOM 0 HB3 LEU C 43 11.913 -1.107 -9.418 1.00 0.00 H new ATOM 0 HG LEU C 43 13.780 -2.144 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.085 -1.602 -13.093 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.579 -2.512 -12.828 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.520 -0.755 -13.104 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.919 -0.022 -11.336 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.351 0.820 -11.321 1.00 0.00 H new ATOM 0 HD23 LEU C 43 14.025 0.168 -9.808 1.00 0.00 H new ATOM 1403 N ASP C 44 11.759 -3.975 -8.901 1.00 0.00 N ATOM 1404 CA ASP C 44 12.482 -5.076 -8.281 1.00 0.00 C ATOM 1405 C ASP C 44 12.004 -6.414 -8.839 1.00 0.00 C ATOM 1406 O ASP C 44 12.805 -7.313 -9.094 1.00 0.00 O ATOM 1407 CB ASP C 44 12.280 -5.047 -6.767 1.00 0.00 C ATOM 1408 CG ASP C 44 13.005 -6.224 -6.125 1.00 0.00 C ATOM 1409 OD1 ASP C 44 14.217 -6.286 -6.249 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.337 -7.047 -5.521 1.00 0.00 O ATOM 0 H ASP C 44 11.203 -3.412 -8.258 1.00 0.00 H new ATOM 0 HA ASP C 44 13.542 -4.962 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP C 44 12.658 -4.109 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP C 44 11.217 -5.092 -6.532 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.717 8.352 8.342 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.807 9.061 7.448 1.00 0.00 C ATOM 1630 C VAL D 27 -5.361 8.857 7.897 1.00 0.00 C ATOM 1631 O VAL D 27 -4.487 8.546 7.087 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.139 10.555 7.449 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -6.111 11.313 6.608 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.537 10.762 6.860 1.00 0.00 C ATOM 0 HA VAL D 27 -6.925 8.664 6.440 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.113 10.932 8.471 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.351 12.376 6.611 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -5.116 11.164 7.028 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -6.132 10.940 5.584 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -8.778 11.825 6.859 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.561 10.383 5.838 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -9.269 10.225 7.463 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.122 9.026 9.193 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.784 8.851 9.746 1.00 0.00 C ATOM 1646 C VAL D 28 -3.347 7.394 9.628 1.00 0.00 C ATOM 1647 O VAL D 28 -2.207 7.104 9.262 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.756 9.281 11.213 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.377 8.988 11.808 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.041 10.782 11.305 1.00 0.00 C ATOM 0 H VAL D 28 -5.833 9.283 9.877 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.093 9.475 9.179 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.514 8.728 11.768 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.359 9.295 12.854 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.171 7.920 11.740 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.617 9.540 11.255 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.022 11.093 12.350 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.281 11.331 10.749 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.023 10.992 10.882 1.00 0.00 H new ATOM 1660 N ALA D 29 -4.262 6.482 9.945 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.960 5.059 9.874 1.00 0.00 C ATOM 1662 C ALA D 29 -3.491 4.685 8.473 1.00 0.00 C ATOM 1663 O ALA D 29 -2.691 3.772 8.295 1.00 0.00 O ATOM 1664 CB ALA D 29 -5.201 4.243 10.236 1.00 0.00 C ATOM 0 H ALA D 29 -5.210 6.702 10.251 1.00 0.00 H new ATOM 0 HA ALA D 29 -3.163 4.837 10.584 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.966 3.180 10.180 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -5.518 4.492 11.249 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -6.005 4.474 9.537 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.992 5.394 7.473 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.595 5.117 6.099 1.00 0.00 C ATOM 1672 C ALA D 30 -2.174 5.621 5.839 1.00 0.00 C ATOM 1673 O ALA D 30 -1.377 4.950 5.182 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.571 5.783 5.125 1.00 0.00 C ATOM 0 H ALA D 30 -4.664 6.154 7.582 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.616 4.038 5.944 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.265 5.570 4.101 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.575 5.393 5.293 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.568 6.861 5.287 1.00 0.00 H new ATOM 1680 N SER D 31 -1.869 6.816 6.349 1.00 0.00 N ATOM 1681 CA SER D 31 -0.548 7.413 6.152 1.00 0.00 C ATOM 1682 C SER D 31 0.542 6.651 6.907 1.00 0.00 C ATOM 1683 O SER D 31 1.617 6.403 6.366 1.00 0.00 O ATOM 1684 CB SER D 31 -0.565 8.866 6.629 1.00 0.00 C ATOM 1685 OG SER D 31 -0.926 8.903 8.001 1.00 0.00 O ATOM 0 H SER D 31 -2.514 7.385 6.897 1.00 0.00 H new ATOM 0 HA SER D 31 -0.320 7.364 5.087 1.00 0.00 H new ATOM 0 HB2 SER D 31 0.416 9.319 6.486 1.00 0.00 H new ATOM 0 HB3 SER D 31 -1.274 9.447 6.038 1.00 0.00 H new ATOM 0 HG SER D 31 -1.483 8.125 8.214 1.00 0.00 H new ATOM 1691 N ILE D 32 0.271 6.290 8.156 1.00 0.00 N ATOM 1692 CA ILE D 32 1.253 5.571 8.956 1.00 0.00 C ATOM 1693 C ILE D 32 1.522 4.192 8.362 1.00 0.00 C ATOM 1694 O ILE D 32 2.648 3.706 8.401 1.00 0.00 O ATOM 1695 CB ILE D 32 0.745 5.439 10.392 1.00 0.00 C ATOM 1696 CG1 ILE D 32 1.862 4.924 11.300 1.00 0.00 C ATOM 1697 CG2 ILE D 32 -0.425 4.459 10.425 1.00 0.00 C ATOM 1698 CD1 ILE D 32 1.420 5.058 12.758 1.00 0.00 C ATOM 0 H ILE D 32 -0.611 6.481 8.632 1.00 0.00 H new ATOM 0 HA ILE D 32 2.188 6.131 8.955 1.00 0.00 H new ATOM 0 HB ILE D 32 0.420 6.417 10.747 1.00 0.00 H new ATOM 0 HG12 ILE D 32 2.085 3.883 11.068 1.00 0.00 H new ATOM 0 HG13 ILE D 32 2.777 5.492 11.130 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -0.790 4.362 11.448 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -1.227 4.829 9.787 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -0.094 3.485 10.064 1.00 0.00 H new ATOM 0 HD11 ILE D 32 2.211 4.693 13.413 1.00 0.00 H new ATOM 0 HD12 ILE D 32 1.218 6.105 12.982 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.516 4.471 12.919 1.00 0.00 H new ATOM 1710 N ILE D 33 0.484 3.564 7.817 1.00 0.00 N ATOM 1711 CA ILE D 33 0.638 2.240 7.219 1.00 0.00 C ATOM 1712 C ILE D 33 1.610 2.304 6.042 1.00 0.00 C ATOM 1713 O ILE D 33 2.492 1.457 5.912 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.735 1.713 6.749 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.523 1.182 7.954 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.563 0.581 5.720 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -2.993 0.996 7.568 1.00 0.00 C ATOM 0 H ILE D 33 -0.462 3.944 7.776 1.00 0.00 H new ATOM 0 HA ILE D 33 1.041 1.558 7.967 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.277 2.535 6.281 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.102 0.233 8.287 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.442 1.878 8.789 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.543 0.225 5.403 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.016 0.956 4.855 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.008 -0.241 6.172 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.550 0.619 8.426 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.411 1.953 7.256 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -3.066 0.283 6.746 1.00 0.00 H new ATOM 1729 N GLY D 34 1.443 3.303 5.184 1.00 0.00 N ATOM 1730 CA GLY D 34 2.316 3.441 4.026 1.00 0.00 C ATOM 1731 C GLY D 34 3.770 3.624 4.450 1.00 0.00 C ATOM 1732 O GLY D 34 4.655 2.906 3.985 1.00 0.00 O ATOM 0 H GLY D 34 0.722 4.020 5.266 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.227 2.558 3.393 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.999 4.295 3.428 1.00 0.00 H new ATOM 1736 N ILE D 35 4.014 4.585 5.333 1.00 0.00 N ATOM 1737 CA ILE D 35 5.371 4.844 5.803 1.00 0.00 C ATOM 1738 C ILE D 35 5.880 3.687 6.661 1.00 0.00 C ATOM 1739 O ILE D 35 7.017 3.251 6.514 1.00 0.00 O ATOM 1740 CB ILE D 35 5.403 6.136 6.623 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.781 7.285 5.811 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.849 6.482 6.987 1.00 0.00 C ATOM 1743 CD1 ILE D 35 5.477 7.433 4.453 1.00 0.00 C ATOM 0 H ILE D 35 3.300 5.192 5.735 1.00 0.00 H new ATOM 0 HA ILE D 35 6.018 4.946 4.932 1.00 0.00 H new ATOM 0 HB ILE D 35 4.828 5.993 7.538 1.00 0.00 H new ATOM 0 HG12 ILE D 35 3.718 7.096 5.661 1.00 0.00 H new ATOM 0 HG13 ILE D 35 4.863 8.217 6.370 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.867 7.402 7.571 1.00 0.00 H new ATOM 0 HG22 ILE D 35 7.280 5.671 7.574 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.431 6.619 6.076 1.00 0.00 H new ATOM 0 HD11 ILE D 35 5.020 8.252 3.897 1.00 0.00 H new ATOM 0 HD12 ILE D 35 6.535 7.646 4.608 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.372 6.507 3.887 1.00 0.00 H new ATOM 1755 N LEU D 36 5.033 3.199 7.563 1.00 0.00 N ATOM 1756 CA LEU D 36 5.421 2.102 8.446 1.00 0.00 C ATOM 1757 C LEU D 36 5.741 0.851 7.638 1.00 0.00 C ATOM 1758 O LEU D 36 6.756 0.194 7.869 1.00 0.00 O ATOM 1759 CB LEU D 36 4.282 1.795 9.428 1.00 0.00 C ATOM 1760 CG LEU D 36 4.677 0.647 10.374 1.00 0.00 C ATOM 1761 CD1 LEU D 36 5.935 1.022 11.177 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.514 0.371 11.331 1.00 0.00 C ATOM 0 H LEU D 36 4.082 3.541 7.702 1.00 0.00 H new ATOM 0 HA LEU D 36 6.311 2.404 8.998 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.045 2.687 10.009 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.382 1.525 8.876 1.00 0.00 H new ATOM 0 HG LEU D 36 4.896 -0.245 9.787 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.201 0.200 11.841 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.760 1.216 10.491 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.736 1.916 11.768 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.783 -0.441 12.006 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.299 1.269 11.911 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.631 0.089 10.758 1.00 0.00 H new ATOM 1774 N HIS D 37 4.874 0.531 6.688 1.00 0.00 N ATOM 1775 CA HIS D 37 5.080 -0.641 5.853 1.00 0.00 C ATOM 1776 C HIS D 37 6.327 -0.468 4.996 1.00 0.00 C ATOM 1777 O HIS D 37 7.100 -1.408 4.815 1.00 0.00 O ATOM 1778 CB HIS D 37 3.869 -0.873 4.952 1.00 0.00 C ATOM 1779 CG HIS D 37 4.098 -2.114 4.138 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.293 -3.232 4.254 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.045 -2.432 3.201 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.769 -4.161 3.407 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.836 -3.726 2.740 1.00 0.00 N ATOM 0 H HIS D 37 4.029 1.062 6.478 1.00 0.00 H new ATOM 0 HA HIS D 37 5.210 -1.505 6.504 1.00 0.00 H new ATOM 0 HB2 HIS D 37 2.966 -0.978 5.554 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.717 -0.015 4.297 1.00 0.00 H new ATOM 0 HD2 HIS D 37 5.836 -1.775 2.870 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.337 -5.143 3.282 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.381 -4.232 2.042 1.00 0.00 H new ATOM 1791 N LEU D 38 6.512 0.734 4.457 1.00 0.00 N ATOM 1792 CA LEU D 38 7.665 1.011 3.604 1.00 0.00 C ATOM 1793 C LEU D 38 8.975 0.812 4.358 1.00 0.00 C ATOM 1794 O LEU D 38 9.925 0.271 3.802 1.00 0.00 O ATOM 1795 CB LEU D 38 7.585 2.452 3.050 1.00 0.00 C ATOM 1796 CG LEU D 38 6.826 2.485 1.709 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.347 3.916 1.415 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.756 2.023 0.570 1.00 0.00 C ATOM 0 H LEU D 38 5.884 1.526 4.594 1.00 0.00 H new ATOM 0 HA LEU D 38 7.644 0.305 2.774 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.083 3.096 3.772 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.591 2.849 2.913 1.00 0.00 H new ATOM 0 HG LEU D 38 5.967 1.817 1.775 1.00 0.00 H new ATOM 0 HD11 LEU D 38 5.811 3.933 0.466 1.00 0.00 H new ATOM 0 HD12 LEU D 38 5.683 4.248 2.213 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.207 4.583 1.358 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.214 2.048 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.618 2.688 0.512 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.095 1.006 0.767 1.00 0.00 H new ATOM 1810 N ILE D 39 9.027 1.246 5.606 1.00 0.00 N ATOM 1811 CA ILE D 39 10.246 1.098 6.392 1.00 0.00 C ATOM 1812 C ILE D 39 10.575 -0.382 6.583 1.00 0.00 C ATOM 1813 O ILE D 39 11.723 -0.798 6.432 1.00 0.00 O ATOM 1814 CB ILE D 39 10.059 1.776 7.751 1.00 0.00 C ATOM 1815 CG1 ILE D 39 9.952 3.290 7.548 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.262 1.476 8.652 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.373 3.930 8.811 1.00 0.00 C ATOM 0 H ILE D 39 8.253 1.698 6.094 1.00 0.00 H new ATOM 0 HA ILE D 39 11.074 1.570 5.864 1.00 0.00 H new ATOM 0 HB ILE D 39 9.151 1.397 8.220 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.934 3.710 7.331 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.316 3.509 6.691 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.123 1.961 9.618 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.349 0.399 8.796 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.171 1.854 8.183 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.295 5.008 8.670 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.383 3.518 9.007 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.027 3.721 9.657 1.00 0.00 H new ATOM 1829 N LEU D 40 9.565 -1.179 6.907 1.00 0.00 N ATOM 1830 CA LEU D 40 9.774 -2.611 7.094 1.00 0.00 C ATOM 1831 C LEU D 40 10.051 -3.309 5.755 1.00 0.00 C ATOM 1832 O LEU D 40 10.931 -4.165 5.666 1.00 0.00 O ATOM 1833 CB LEU D 40 8.541 -3.229 7.775 1.00 0.00 C ATOM 1834 CG LEU D 40 8.665 -3.110 9.307 1.00 0.00 C ATOM 1835 CD1 LEU D 40 9.788 -4.037 9.833 1.00 0.00 C ATOM 1836 CD2 LEU D 40 8.971 -1.649 9.687 1.00 0.00 C ATOM 0 H LEU D 40 8.604 -0.865 7.045 1.00 0.00 H new ATOM 0 HA LEU D 40 10.647 -2.754 7.731 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.637 -2.723 7.435 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.446 -4.277 7.491 1.00 0.00 H new ATOM 0 HG LEU D 40 7.723 -3.415 9.762 1.00 0.00 H new ATOM 0 HD11 LEU D 40 9.862 -3.941 10.916 1.00 0.00 H new ATOM 0 HD12 LEU D 40 9.557 -5.071 9.576 1.00 0.00 H new ATOM 0 HD13 LEU D 40 10.737 -3.753 9.378 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.059 -1.565 10.770 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.908 -1.341 9.222 1.00 0.00 H new ATOM 0 HD23 LEU D 40 8.164 -1.005 9.338 1.00 0.00 H new ATOM 1848 N TRP D 41 9.287 -2.950 4.725 1.00 0.00 N ATOM 1849 CA TRP D 41 9.453 -3.561 3.410 1.00 0.00 C ATOM 1850 C TRP D 41 10.773 -3.149 2.761 1.00 0.00 C ATOM 1851 O TRP D 41 11.499 -3.989 2.229 1.00 0.00 O ATOM 1852 CB TRP D 41 8.265 -3.185 2.511 1.00 0.00 C ATOM 1853 CG TRP D 41 8.531 -3.617 1.104 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.318 -4.859 0.614 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.015 -2.816 -0.010 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.677 -4.879 -0.720 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.107 -3.641 -1.150 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.389 -1.467 -0.138 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.551 -3.149 -2.370 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.830 -0.966 -1.373 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.912 -1.808 -2.484 1.00 0.00 C ATOM 0 H TRP D 41 8.552 -2.244 4.776 1.00 0.00 H new ATOM 0 HA TRP D 41 9.479 -4.643 3.536 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.355 -3.659 2.880 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.100 -2.108 2.544 1.00 0.00 H new ATOM 0 HD1 TRP D 41 7.931 -5.698 1.173 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.630 -5.707 -1.314 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.337 -0.812 0.719 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.616 -3.803 -3.227 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.107 0.074 -1.464 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.255 -1.420 -3.432 1.00 0.00 H new ATOM 1872 N ILE D 42 11.075 -1.859 2.794 1.00 0.00 N ATOM 1873 CA ILE D 42 12.307 -1.364 2.191 1.00 0.00 C ATOM 1874 C ILE D 42 13.521 -1.915 2.935 1.00 0.00 C ATOM 1875 O ILE D 42 14.529 -2.268 2.324 1.00 0.00 O ATOM 1876 CB ILE D 42 12.323 0.171 2.214 1.00 0.00 C ATOM 1877 CG1 ILE D 42 13.397 0.692 1.251 1.00 0.00 C ATOM 1878 CG2 ILE D 42 12.629 0.686 3.628 1.00 0.00 C ATOM 1879 CD1 ILE D 42 13.258 2.209 1.122 1.00 0.00 C ATOM 0 H ILE D 42 10.492 -1.142 3.226 1.00 0.00 H new ATOM 0 HA ILE D 42 12.351 -1.703 1.156 1.00 0.00 H new ATOM 0 HB ILE D 42 11.341 0.530 1.907 1.00 0.00 H new ATOM 0 HG12 ILE D 42 14.390 0.435 1.620 1.00 0.00 H new ATOM 0 HG13 ILE D 42 13.288 0.220 0.275 1.00 0.00 H new ATOM 0 HG21 ILE D 42 12.636 1.776 3.625 1.00 0.00 H new ATOM 0 HG22 ILE D 42 11.864 0.330 4.318 1.00 0.00 H new ATOM 0 HG23 ILE D 42 13.604 0.318 3.946 1.00 0.00 H new ATOM 0 HD11 ILE D 42 14.018 2.587 0.439 1.00 0.00 H new ATOM 0 HD12 ILE D 42 12.269 2.452 0.734 1.00 0.00 H new ATOM 0 HD13 ILE D 42 13.388 2.671 2.101 1.00 0.00 H new ATOM 1891 N LEU D 43 13.417 -1.982 4.259 1.00 0.00 N ATOM 1892 CA LEU D 43 14.515 -2.486 5.073 1.00 0.00 C ATOM 1893 C LEU D 43 14.812 -3.940 4.723 1.00 0.00 C ATOM 1894 O LEU D 43 15.969 -4.342 4.635 1.00 0.00 O ATOM 1895 CB LEU D 43 14.161 -2.372 6.563 1.00 0.00 C ATOM 1896 CG LEU D 43 15.311 -2.908 7.432 1.00 0.00 C ATOM 1897 CD1 LEU D 43 16.608 -2.135 7.139 1.00 0.00 C ATOM 1898 CD2 LEU D 43 14.935 -2.745 8.908 1.00 0.00 C ATOM 0 H LEU D 43 12.592 -1.696 4.786 1.00 0.00 H new ATOM 0 HA LEU D 43 15.402 -1.887 4.869 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.960 -1.331 6.817 1.00 0.00 H new ATOM 0 HB3 LEU D 43 13.249 -2.932 6.770 1.00 0.00 H new ATOM 0 HG LEU D 43 15.476 -3.961 7.203 1.00 0.00 H new ATOM 0 HD11 LEU D 43 17.413 -2.526 7.762 1.00 0.00 H new ATOM 0 HD12 LEU D 43 16.872 -2.253 6.088 1.00 0.00 H new ATOM 0 HD13 LEU D 43 16.459 -1.078 7.359 1.00 0.00 H new ATOM 0 HD21 LEU D 43 15.744 -3.122 9.533 1.00 0.00 H new ATOM 0 HD22 LEU D 43 14.769 -1.690 9.127 1.00 0.00 H new ATOM 0 HD23 LEU D 43 14.024 -3.306 9.116 1.00 0.00 H new ATOM 1910 N ASP D 44 13.764 -4.727 4.530 1.00 0.00 N ATOM 1911 CA ASP D 44 13.942 -6.133 4.196 1.00 0.00 C ATOM 1912 C ASP D 44 14.675 -6.279 2.865 1.00 0.00 C ATOM 1913 O ASP D 44 15.546 -7.137 2.716 1.00 0.00 O ATOM 1914 CB ASP D 44 12.582 -6.826 4.114 1.00 0.00 C ATOM 1915 CG ASP D 44 12.770 -8.287 3.723 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.404 -9.004 4.477 1.00 0.00 O ATOM 1917 OD2 ASP D 44 12.278 -8.666 2.673 1.00 0.00 O ATOM 0 H ASP D 44 12.793 -4.422 4.598 1.00 0.00 H new ATOM 0 HA ASP D 44 14.540 -6.601 4.978 1.00 0.00 H new ATOM 0 HB2 ASP D 44 12.071 -6.760 5.075 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.950 -6.322 3.382 1.00 0.00 H new