USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.86! C(o=-7.9!,f=-8.8!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -7.97! C(o=-8!,f=-9.4!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -7.78! C(o=-7.8!,f=-9.2!) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -8.21! C(o=-8.2!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -13.043 4.793 0.954 1.00 0.00 N ATOM 108 CA VAL A 27 -12.256 5.212 2.110 1.00 0.00 C ATOM 109 C VAL A 27 -12.013 4.035 3.054 1.00 0.00 C ATOM 110 O VAL A 27 -10.880 3.774 3.468 1.00 0.00 O ATOM 111 CB VAL A 27 -12.999 6.324 2.858 1.00 0.00 C ATOM 112 CG1 VAL A 27 -12.258 6.663 4.155 1.00 0.00 C ATOM 113 CG2 VAL A 27 -13.078 7.569 1.973 1.00 0.00 C ATOM 0 HA VAL A 27 -11.292 5.581 1.760 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.006 5.984 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.791 7.454 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.207 5.776 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.248 7.000 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.606 8.360 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.071 7.906 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.613 7.329 1.054 1.00 0.00 H new ATOM 123 N VAL A 28 -13.087 3.325 3.387 1.00 0.00 N ATOM 124 CA VAL A 28 -12.985 2.181 4.283 1.00 0.00 C ATOM 125 C VAL A 28 -12.166 1.071 3.641 1.00 0.00 C ATOM 126 O VAL A 28 -11.295 0.483 4.277 1.00 0.00 O ATOM 127 CB VAL A 28 -14.381 1.655 4.625 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.258 0.391 5.482 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.151 2.723 5.402 1.00 0.00 C ATOM 0 H VAL A 28 -14.030 3.521 3.052 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.486 2.504 5.197 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.914 1.418 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.253 0.018 5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.709 -0.371 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.724 0.626 6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.145 2.349 5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.617 2.960 6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.241 3.622 4.793 1.00 0.00 H new ATOM 139 N ALA A 29 -12.452 0.788 2.377 1.00 0.00 N ATOM 140 CA ALA A 29 -11.740 -0.262 1.665 1.00 0.00 C ATOM 141 C ALA A 29 -10.247 0.037 1.626 1.00 0.00 C ATOM 142 O ALA A 29 -9.423 -0.863 1.768 1.00 0.00 O ATOM 143 CB ALA A 29 -12.272 -0.374 0.234 1.00 0.00 C ATOM 0 H ALA A 29 -13.166 1.267 1.828 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.900 -1.204 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.734 -1.162 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.335 -0.614 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.126 0.574 -0.284 1.00 0.00 H new ATOM 149 N ALA A 30 -9.903 1.308 1.440 1.00 0.00 N ATOM 150 CA ALA A 30 -8.500 1.699 1.386 1.00 0.00 C ATOM 151 C ALA A 30 -7.775 1.257 2.650 1.00 0.00 C ATOM 152 O ALA A 30 -6.729 0.610 2.585 1.00 0.00 O ATOM 153 CB ALA A 30 -8.391 3.219 1.244 1.00 0.00 C ATOM 0 H ALA A 30 -10.566 2.074 1.326 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.038 1.216 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.340 3.506 1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.889 3.535 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.866 3.699 2.099 1.00 0.00 H new ATOM 159 N SER A 31 -8.342 1.599 3.802 1.00 0.00 N ATOM 160 CA SER A 31 -7.741 1.218 5.076 1.00 0.00 C ATOM 161 C SER A 31 -7.706 -0.303 5.218 1.00 0.00 C ATOM 162 O SER A 31 -6.751 -0.864 5.756 1.00 0.00 O ATOM 163 CB SER A 31 -8.528 1.827 6.235 1.00 0.00 C ATOM 164 OG SER A 31 -8.625 3.233 6.050 1.00 0.00 O ATOM 0 H SER A 31 -9.207 2.133 3.881 1.00 0.00 H new ATOM 0 HA SER A 31 -6.719 1.597 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.523 1.386 6.285 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.034 1.606 7.181 1.00 0.00 H new ATOM 0 HG SER A 31 -9.131 3.626 6.791 1.00 0.00 H new ATOM 170 N ILE A 32 -8.760 -0.959 4.743 1.00 0.00 N ATOM 171 CA ILE A 32 -8.856 -2.413 4.826 1.00 0.00 C ATOM 172 C ILE A 32 -7.738 -3.069 4.019 1.00 0.00 C ATOM 173 O ILE A 32 -7.123 -4.031 4.468 1.00 0.00 O ATOM 174 CB ILE A 32 -10.215 -2.875 4.282 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.356 -2.374 5.201 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.243 -4.409 4.187 1.00 0.00 C ATOM 177 CD1 ILE A 32 -11.602 -3.333 6.371 1.00 0.00 C ATOM 0 H ILE A 32 -9.559 -0.508 4.297 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.759 -2.708 5.871 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.361 -2.456 3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.106 -1.386 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.272 -2.267 4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.210 -4.732 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.453 -4.746 3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.086 -4.838 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.410 -2.948 6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.878 -4.314 5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.694 -3.420 6.967 1.00 0.00 H new ATOM 189 N ILE A 33 -7.478 -2.549 2.826 1.00 0.00 N ATOM 190 CA ILE A 33 -6.437 -3.119 1.978 1.00 0.00 C ATOM 191 C ILE A 33 -5.087 -3.066 2.683 1.00 0.00 C ATOM 192 O ILE A 33 -4.339 -4.042 2.673 1.00 0.00 O ATOM 193 CB ILE A 33 -6.362 -2.340 0.657 1.00 0.00 C ATOM 194 CG1 ILE A 33 -7.617 -2.627 -0.174 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.112 -2.754 -0.133 1.00 0.00 C ATOM 196 CD1 ILE A 33 -7.711 -1.611 -1.314 1.00 0.00 C ATOM 0 H ILE A 33 -7.965 -1.746 2.428 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.684 -4.161 1.773 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.302 -1.274 0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.577 -3.639 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.505 -2.568 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.070 -2.195 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.221 -2.541 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.156 -3.821 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.603 -1.812 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.770 -0.604 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.828 -1.692 -1.947 1.00 0.00 H new ATOM 208 N GLY A 34 -4.775 -1.937 3.295 1.00 0.00 N ATOM 209 CA GLY A 34 -3.506 -1.802 3.995 1.00 0.00 C ATOM 210 C GLY A 34 -3.422 -2.759 5.182 1.00 0.00 C ATOM 211 O GLY A 34 -2.387 -3.386 5.410 1.00 0.00 O ATOM 0 H GLY A 34 -5.372 -1.110 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.685 -2.001 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.388 -0.776 4.343 1.00 0.00 H new ATOM 215 N ILE A 35 -4.506 -2.855 5.948 1.00 0.00 N ATOM 216 CA ILE A 35 -4.527 -3.729 7.119 1.00 0.00 C ATOM 217 C ILE A 35 -4.511 -5.210 6.728 1.00 0.00 C ATOM 218 O ILE A 35 -3.685 -5.978 7.219 1.00 0.00 O ATOM 219 CB ILE A 35 -5.776 -3.434 7.953 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.690 -2.005 8.495 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.860 -4.419 9.124 1.00 0.00 C ATOM 222 CD1 ILE A 35 -7.050 -1.585 9.054 1.00 0.00 C ATOM 0 H ILE A 35 -5.373 -2.344 5.782 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.627 -3.529 7.701 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.664 -3.541 7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.931 -1.946 9.275 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.385 -1.322 7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.750 -4.206 9.716 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.915 -5.437 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.974 -4.315 9.751 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.986 -0.567 9.439 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.798 -1.627 8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.337 -2.261 9.860 1.00 0.00 H new ATOM 234 N LEU A 36 -5.435 -5.604 5.854 1.00 0.00 N ATOM 235 CA LEU A 36 -5.527 -6.999 5.416 1.00 0.00 C ATOM 236 C LEU A 36 -4.272 -7.421 4.658 1.00 0.00 C ATOM 237 O LEU A 36 -3.749 -8.518 4.866 1.00 0.00 O ATOM 238 CB LEU A 36 -6.768 -7.187 4.519 1.00 0.00 C ATOM 239 CG LEU A 36 -8.016 -7.478 5.375 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.940 -8.897 5.987 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.135 -6.433 6.500 1.00 0.00 C ATOM 0 H LEU A 36 -6.128 -4.983 5.436 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.619 -7.628 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.931 -6.290 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.599 -8.008 3.822 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.895 -7.422 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.831 -9.082 6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.881 -9.635 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.054 -8.974 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.019 -6.645 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.248 -6.476 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.222 -5.438 6.064 1.00 0.00 H new ATOM 253 N HIS A 37 -3.788 -6.548 3.786 1.00 0.00 N ATOM 254 CA HIS A 37 -2.597 -6.853 3.011 1.00 0.00 C ATOM 255 C HIS A 37 -1.419 -7.105 3.944 1.00 0.00 C ATOM 256 O HIS A 37 -0.617 -8.010 3.717 1.00 0.00 O ATOM 257 CB HIS A 37 -2.270 -5.699 2.069 1.00 0.00 C ATOM 258 CG HIS A 37 -1.044 -6.044 1.279 1.00 0.00 C ATOM 259 ND1 HIS A 37 -1.070 -6.183 -0.093 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.248 -6.300 1.657 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.171 -6.511 -0.491 1.00 0.00 C ATOM 262 NE2 HIS A 37 1.014 -6.595 0.537 1.00 0.00 N ATOM 0 H HIS A 37 -4.197 -5.633 3.599 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.785 -7.750 2.420 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.109 -5.511 1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.106 -4.784 2.638 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.615 -6.276 2.672 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.451 -6.685 -1.519 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.007 -6.826 0.508 1.00 0.00 H new ATOM 270 N LEU A 38 -1.312 -6.289 4.988 1.00 0.00 N ATOM 271 CA LEU A 38 -0.220 -6.425 5.947 1.00 0.00 C ATOM 272 C LEU A 38 -0.261 -7.777 6.642 1.00 0.00 C ATOM 273 O LEU A 38 0.778 -8.380 6.880 1.00 0.00 O ATOM 274 CB LEU A 38 -0.277 -5.296 6.997 1.00 0.00 C ATOM 275 CG LEU A 38 0.480 -4.051 6.498 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.195 -2.863 7.435 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.000 -4.333 6.461 1.00 0.00 C ATOM 0 H LEU A 38 -1.963 -5.531 5.191 1.00 0.00 H new ATOM 0 HA LEU A 38 0.716 -6.351 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.315 -5.038 7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.159 -5.642 7.934 1.00 0.00 H new ATOM 0 HG LEU A 38 0.141 -3.808 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.732 -1.983 7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.875 -2.656 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.527 -3.108 8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.526 -3.446 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.348 -4.585 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.199 -5.166 5.787 1.00 0.00 H new ATOM 289 N ILE A 39 -1.450 -8.250 6.975 1.00 0.00 N ATOM 290 CA ILE A 39 -1.558 -9.531 7.654 1.00 0.00 C ATOM 291 C ILE A 39 -0.963 -10.642 6.793 1.00 0.00 C ATOM 292 O ILE A 39 -0.161 -11.446 7.269 1.00 0.00 O ATOM 293 CB ILE A 39 -3.032 -9.833 7.939 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.560 -8.824 8.964 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.176 -11.255 8.490 1.00 0.00 C ATOM 296 CD1 ILE A 39 -5.080 -8.956 9.096 1.00 0.00 C ATOM 0 H ILE A 39 -2.336 -7.779 6.792 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.005 -9.482 8.592 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.606 -9.754 7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.087 -8.995 9.931 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.300 -7.811 8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.227 -11.463 8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.798 -11.969 7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.605 -11.347 9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.446 -8.235 9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.547 -8.763 8.130 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.330 -9.965 9.425 1.00 0.00 H new ATOM 308 N LEU A 40 -1.357 -10.682 5.526 1.00 0.00 N ATOM 309 CA LEU A 40 -0.853 -11.700 4.613 1.00 0.00 C ATOM 310 C LEU A 40 0.619 -11.455 4.279 1.00 0.00 C ATOM 311 O LEU A 40 1.424 -12.387 4.250 1.00 0.00 O ATOM 312 CB LEU A 40 -1.682 -11.684 3.330 1.00 0.00 C ATOM 313 CG LEU A 40 -3.147 -12.007 3.655 1.00 0.00 C ATOM 314 CD1 LEU A 40 -3.987 -11.865 2.382 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.271 -13.442 4.201 1.00 0.00 C ATOM 0 H LEU A 40 -2.019 -10.027 5.110 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.936 -12.673 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.613 -10.706 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.288 -12.413 2.622 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.506 -11.313 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.029 -12.093 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.911 -10.844 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.619 -12.557 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.316 -13.656 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.909 -14.148 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.676 -13.538 5.109 1.00 0.00 H new ATOM 327 N TRP A 41 0.962 -10.196 4.020 1.00 0.00 N ATOM 328 CA TRP A 41 2.338 -9.839 3.682 1.00 0.00 C ATOM 329 C TRP A 41 3.274 -10.076 4.866 1.00 0.00 C ATOM 330 O TRP A 41 4.417 -10.499 4.686 1.00 0.00 O ATOM 331 CB TRP A 41 2.405 -8.383 3.196 1.00 0.00 C ATOM 332 CG TRP A 41 3.832 -7.975 2.995 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.575 -8.248 1.894 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.679 -7.163 3.863 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.838 -7.710 2.063 1.00 0.00 N ATOM 336 CE2 TRP A 41 5.947 -7.026 3.254 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.479 -6.556 5.113 1.00 0.00 C ATOM 338 CZ2 TRP A 41 6.976 -6.311 3.861 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.514 -5.826 5.724 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.758 -5.709 5.100 1.00 0.00 C ATOM 0 H TRP A 41 0.312 -9.410 4.037 1.00 0.00 H new ATOM 0 HA TRP A 41 2.674 -10.484 2.870 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.853 -8.277 2.262 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.929 -7.726 3.924 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.236 -8.796 1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.596 -7.808 1.388 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.524 -6.650 5.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.937 -6.223 3.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.346 -5.353 6.681 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.551 -5.152 5.577 1.00 0.00 H new ATOM 351 N ILE A 42 2.787 -9.806 6.072 1.00 0.00 N ATOM 352 CA ILE A 42 3.592 -10.001 7.278 1.00 0.00 C ATOM 353 C ILE A 42 3.961 -11.479 7.426 1.00 0.00 C ATOM 354 O ILE A 42 5.102 -11.813 7.740 1.00 0.00 O ATOM 355 CB ILE A 42 2.801 -9.525 8.517 1.00 0.00 C ATOM 356 CG1 ILE A 42 2.863 -7.983 8.623 1.00 0.00 C ATOM 357 CG2 ILE A 42 3.363 -10.167 9.798 1.00 0.00 C ATOM 358 CD1 ILE A 42 4.145 -7.520 9.335 1.00 0.00 C ATOM 0 H ILE A 42 1.845 -9.454 6.243 1.00 0.00 H new ATOM 0 HA ILE A 42 4.508 -9.416 7.195 1.00 0.00 H new ATOM 0 HB ILE A 42 1.761 -9.833 8.405 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.821 -7.546 7.625 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.991 -7.619 9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.793 -9.819 10.660 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.286 -11.252 9.725 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.409 -9.885 9.918 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.156 -6.432 9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.173 -7.937 10.342 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.016 -7.863 8.776 1.00 0.00 H new ATOM 370 N LEU A 43 2.987 -12.354 7.208 1.00 0.00 N ATOM 371 CA LEU A 43 3.222 -13.788 7.330 1.00 0.00 C ATOM 372 C LEU A 43 4.283 -14.244 6.333 1.00 0.00 C ATOM 373 O LEU A 43 5.132 -15.071 6.657 1.00 0.00 O ATOM 374 CB LEU A 43 1.919 -14.552 7.083 1.00 0.00 C ATOM 375 CG LEU A 43 0.929 -14.288 8.228 1.00 0.00 C ATOM 376 CD1 LEU A 43 -0.459 -14.771 7.805 1.00 0.00 C ATOM 377 CD2 LEU A 43 1.362 -15.038 9.503 1.00 0.00 C ATOM 0 H LEU A 43 2.034 -12.099 6.948 1.00 0.00 H new ATOM 0 HA LEU A 43 3.578 -13.996 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.481 -14.243 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.123 -15.620 7.007 1.00 0.00 H new ATOM 0 HG LEU A 43 0.910 -13.219 8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.169 -14.588 8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.776 -14.231 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.423 -15.839 7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.648 -14.839 10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.392 -16.109 9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.352 -14.698 9.807 1.00 0.00 H new ATOM 389 N ASP A 44 4.233 -13.698 5.123 1.00 0.00 N ATOM 390 CA ASP A 44 5.204 -14.061 4.094 1.00 0.00 C ATOM 391 C ASP A 44 6.624 -13.794 4.584 1.00 0.00 C ATOM 392 O ASP A 44 7.520 -14.618 4.401 1.00 0.00 O ATOM 393 CB ASP A 44 4.942 -13.246 2.829 1.00 0.00 C ATOM 394 CG ASP A 44 5.946 -13.621 1.745 1.00 0.00 C ATOM 395 OD1 ASP A 44 6.858 -14.375 2.043 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.789 -13.147 0.632 1.00 0.00 O ATOM 0 H ASP A 44 3.539 -13.010 4.831 1.00 0.00 H new ATOM 0 HA ASP A 44 5.099 -15.124 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.928 -13.428 2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.016 -12.182 3.051 1.00 0.00 H new ATOM 630 N VAL B 28 -9.579 8.154 -6.096 1.00 0.00 N ATOM 631 CA VAL B 28 -9.885 6.962 -6.879 1.00 0.00 C ATOM 632 C VAL B 28 -8.615 6.180 -7.180 1.00 0.00 C ATOM 633 O VAL B 28 -8.578 4.961 -7.040 1.00 0.00 O ATOM 634 CB VAL B 28 -10.569 7.356 -8.190 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.794 6.106 -9.046 1.00 0.00 C ATOM 636 CG2 VAL B 28 -11.916 8.013 -7.885 1.00 0.00 C ATOM 0 HA VAL B 28 -10.557 6.331 -6.297 1.00 0.00 H new ATOM 0 HB VAL B 28 -9.936 8.058 -8.732 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.281 6.387 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -9.835 5.637 -9.264 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.427 5.403 -8.504 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.404 8.294 -8.819 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.549 7.311 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.757 8.903 -7.277 1.00 0.00 H new ATOM 646 N ALA B 29 -7.575 6.891 -7.597 1.00 0.00 N ATOM 647 CA ALA B 29 -6.311 6.250 -7.925 1.00 0.00 C ATOM 648 C ALA B 29 -5.763 5.503 -6.716 1.00 0.00 C ATOM 649 O ALA B 29 -5.222 4.407 -6.847 1.00 0.00 O ATOM 650 CB ALA B 29 -5.292 7.300 -8.378 1.00 0.00 C ATOM 0 H ALA B 29 -7.582 7.904 -7.715 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.485 5.540 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.349 6.811 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.670 7.818 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.131 8.020 -7.576 1.00 0.00 H new ATOM 656 N ALA B 30 -5.907 6.098 -5.537 1.00 0.00 N ATOM 657 CA ALA B 30 -5.416 5.469 -4.318 1.00 0.00 C ATOM 658 C ALA B 30 -6.018 4.079 -4.158 1.00 0.00 C ATOM 659 O ALA B 30 -5.299 3.100 -3.955 1.00 0.00 O ATOM 660 CB ALA B 30 -5.786 6.325 -3.106 1.00 0.00 C ATOM 0 H ALA B 30 -6.354 7.004 -5.400 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.332 5.381 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.416 5.849 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.336 7.313 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -6.870 6.424 -3.048 1.00 0.00 H new ATOM 666 N SER B 31 -7.341 3.996 -4.261 1.00 0.00 N ATOM 667 CA SER B 31 -8.024 2.713 -4.135 1.00 0.00 C ATOM 668 C SER B 31 -7.595 1.764 -5.253 1.00 0.00 C ATOM 669 O SER B 31 -7.452 0.561 -5.039 1.00 0.00 O ATOM 670 CB SER B 31 -9.537 2.913 -4.182 1.00 0.00 C ATOM 671 OG SER B 31 -9.916 3.857 -3.190 1.00 0.00 O ATOM 0 H SER B 31 -7.956 4.792 -4.429 1.00 0.00 H new ATOM 0 HA SER B 31 -7.751 2.273 -3.176 1.00 0.00 H new ATOM 0 HB2 SER B 31 -9.839 3.264 -5.169 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.046 1.965 -4.012 1.00 0.00 H new ATOM 0 HG SER B 31 -10.887 3.989 -3.218 1.00 0.00 H new ATOM 677 N ILE B 32 -7.404 2.318 -6.448 1.00 0.00 N ATOM 678 CA ILE B 32 -7.003 1.520 -7.603 1.00 0.00 C ATOM 679 C ILE B 32 -5.631 0.894 -7.367 1.00 0.00 C ATOM 680 O ILE B 32 -5.411 -0.272 -7.679 1.00 0.00 O ATOM 681 CB ILE B 32 -6.953 2.408 -8.853 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.375 2.899 -9.216 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.346 1.620 -10.024 1.00 0.00 C ATOM 684 CD1 ILE B 32 -9.121 1.878 -10.084 1.00 0.00 C ATOM 0 H ILE B 32 -7.520 3.313 -6.641 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.734 0.724 -7.749 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.328 3.278 -8.649 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.941 3.083 -8.303 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -8.308 3.849 -9.747 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.312 2.254 -10.910 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.336 1.304 -9.765 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.959 0.742 -10.229 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -10.115 2.258 -10.319 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.568 1.713 -11.009 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -9.211 0.936 -9.542 1.00 0.00 H new ATOM 696 N ILE B 33 -4.704 1.674 -6.823 1.00 0.00 N ATOM 697 CA ILE B 33 -3.361 1.167 -6.574 1.00 0.00 C ATOM 698 C ILE B 33 -3.404 -0.031 -5.635 1.00 0.00 C ATOM 699 O ILE B 33 -2.741 -1.038 -5.875 1.00 0.00 O ATOM 700 CB ILE B 33 -2.496 2.276 -5.955 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.219 3.354 -7.006 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.168 1.695 -5.449 1.00 0.00 C ATOM 703 CD1 ILE B 33 -1.657 4.598 -6.317 1.00 0.00 C ATOM 0 H ILE B 33 -4.854 2.645 -6.550 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.928 0.851 -7.523 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.031 2.715 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.510 2.983 -7.746 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.137 3.603 -7.539 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.565 2.491 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.368 0.936 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.627 1.245 -6.281 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.458 5.368 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.381 4.972 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.730 4.342 -5.804 1.00 0.00 H new ATOM 715 N GLY B 34 -4.184 0.070 -4.571 1.00 0.00 N ATOM 716 CA GLY B 34 -4.286 -1.029 -3.626 1.00 0.00 C ATOM 717 C GLY B 34 -4.912 -2.264 -4.271 1.00 0.00 C ATOM 718 O GLY B 34 -4.451 -3.385 -4.058 1.00 0.00 O ATOM 0 H GLY B 34 -4.748 0.889 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.295 -1.278 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.886 -0.720 -2.770 1.00 0.00 H new ATOM 722 N ILE B 35 -5.974 -2.057 -5.049 1.00 0.00 N ATOM 723 CA ILE B 35 -6.657 -3.172 -5.704 1.00 0.00 C ATOM 724 C ILE B 35 -5.801 -3.794 -6.810 1.00 0.00 C ATOM 725 O ILE B 35 -5.600 -5.007 -6.839 1.00 0.00 O ATOM 726 CB ILE B 35 -7.979 -2.680 -6.296 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.902 -2.230 -5.162 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.650 -3.814 -7.076 1.00 0.00 C ATOM 729 CD1 ILE B 35 -10.086 -1.453 -5.741 1.00 0.00 C ATOM 0 H ILE B 35 -6.376 -1.139 -5.240 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.841 -3.941 -4.953 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.786 -1.845 -6.969 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -9.260 -3.096 -4.605 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.352 -1.604 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.591 -3.459 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.993 -4.140 -7.882 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.844 -4.651 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.742 -1.133 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.719 -0.578 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.641 -2.093 -6.427 1.00 0.00 H new ATOM 741 N LEU B 36 -5.314 -2.958 -7.726 1.00 0.00 N ATOM 742 CA LEU B 36 -4.495 -3.441 -8.841 1.00 0.00 C ATOM 743 C LEU B 36 -3.187 -4.048 -8.341 1.00 0.00 C ATOM 744 O LEU B 36 -2.757 -5.099 -8.819 1.00 0.00 O ATOM 745 CB LEU B 36 -4.195 -2.281 -9.813 1.00 0.00 C ATOM 746 CG LEU B 36 -5.332 -2.129 -10.843 1.00 0.00 C ATOM 747 CD1 LEU B 36 -5.313 -3.301 -11.854 1.00 0.00 C ATOM 748 CD2 LEU B 36 -6.693 -2.085 -10.123 1.00 0.00 C ATOM 0 H LEU B 36 -5.470 -1.950 -7.720 1.00 0.00 H new ATOM 0 HA LEU B 36 -5.055 -4.218 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.076 -1.353 -9.254 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.252 -2.466 -10.328 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.181 -1.196 -11.387 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.123 -3.175 -12.572 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.359 -3.311 -12.381 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.444 -4.243 -11.321 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.490 -1.977 -10.858 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -6.838 -3.009 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -6.715 -1.238 -9.438 1.00 0.00 H new ATOM 760 N HIS B 37 -2.562 -3.386 -7.378 1.00 0.00 N ATOM 761 CA HIS B 37 -1.309 -3.879 -6.829 1.00 0.00 C ATOM 762 C HIS B 37 -1.510 -5.264 -6.229 1.00 0.00 C ATOM 763 O HIS B 37 -0.666 -6.147 -6.383 1.00 0.00 O ATOM 764 CB HIS B 37 -0.790 -2.925 -5.759 1.00 0.00 C ATOM 765 CG HIS B 37 0.504 -3.455 -5.220 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.695 -2.770 -5.363 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.816 -4.611 -4.553 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.661 -3.511 -4.796 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.179 -4.645 -4.286 1.00 0.00 N ATOM 0 H HIS B 37 -2.898 -2.516 -6.965 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.577 -3.941 -7.634 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.643 -1.930 -6.180 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.520 -2.826 -4.956 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.109 -5.379 -4.277 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.701 -3.224 -4.758 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.699 -5.379 -3.804 1.00 0.00 H new ATOM 777 N LEU B 38 -2.630 -5.446 -5.534 1.00 0.00 N ATOM 778 CA LEU B 38 -2.931 -6.727 -4.903 1.00 0.00 C ATOM 779 C LEU B 38 -3.055 -7.836 -5.938 1.00 0.00 C ATOM 780 O LEU B 38 -2.610 -8.953 -5.703 1.00 0.00 O ATOM 781 CB LEU B 38 -4.231 -6.631 -4.078 1.00 0.00 C ATOM 782 CG LEU B 38 -3.935 -6.138 -2.649 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.254 -5.798 -1.934 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.178 -7.229 -1.857 1.00 0.00 C ATOM 0 H LEU B 38 -3.340 -4.727 -5.394 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.103 -6.971 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.928 -5.949 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.715 -7.607 -4.038 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.313 -5.244 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -5.041 -5.450 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.775 -5.015 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.882 -6.688 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.974 -6.870 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.789 -8.130 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.237 -7.456 -2.359 1.00 0.00 H new ATOM 796 N ILE B 39 -3.663 -7.539 -7.071 1.00 0.00 N ATOM 797 CA ILE B 39 -3.828 -8.555 -8.098 1.00 0.00 C ATOM 798 C ILE B 39 -2.467 -9.079 -8.551 1.00 0.00 C ATOM 799 O ILE B 39 -2.250 -10.288 -8.622 1.00 0.00 O ATOM 800 CB ILE B 39 -4.574 -7.956 -9.292 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.009 -7.624 -8.868 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.594 -8.958 -10.451 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.707 -6.818 -9.968 1.00 0.00 C ATOM 0 H ILE B 39 -4.045 -6.622 -7.303 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.402 -9.385 -7.686 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.068 -7.048 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.561 -8.543 -8.673 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.000 -7.055 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.127 -8.525 -11.297 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.571 -9.192 -10.747 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.098 -9.871 -10.134 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.726 -6.586 -9.658 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.161 -5.891 -10.142 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.731 -7.403 -10.888 1.00 0.00 H new ATOM 815 N LEU B 40 -1.555 -8.163 -8.857 1.00 0.00 N ATOM 816 CA LEU B 40 -0.221 -8.550 -9.302 1.00 0.00 C ATOM 817 C LEU B 40 0.587 -9.153 -8.152 1.00 0.00 C ATOM 818 O LEU B 40 1.274 -10.161 -8.321 1.00 0.00 O ATOM 819 CB LEU B 40 0.503 -7.324 -9.853 1.00 0.00 C ATOM 820 CG LEU B 40 -0.268 -6.764 -11.055 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.398 -5.464 -11.519 1.00 0.00 C ATOM 822 CD2 LEU B 40 -0.272 -7.784 -12.210 1.00 0.00 C ATOM 0 H LEU B 40 -1.712 -7.156 -8.806 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.320 -9.305 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.590 -6.563 -9.078 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.516 -7.592 -10.152 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.298 -6.567 -10.759 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.146 -5.061 -12.373 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.385 -4.738 -10.706 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.429 -5.667 -11.808 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.823 -7.373 -13.056 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.754 -7.995 -12.512 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -0.750 -8.706 -11.879 1.00 0.00 H new ATOM 834 N TRP B 41 0.506 -8.522 -6.982 1.00 0.00 N ATOM 835 CA TRP B 41 1.237 -9.001 -5.811 1.00 0.00 C ATOM 836 C TRP B 41 0.716 -10.364 -5.355 1.00 0.00 C ATOM 837 O TRP B 41 1.491 -11.218 -4.925 1.00 0.00 O ATOM 838 CB TRP B 41 1.161 -7.963 -4.681 1.00 0.00 C ATOM 839 CG TRP B 41 1.782 -8.521 -3.436 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.111 -8.540 -3.168 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.124 -9.068 -2.256 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.308 -9.123 -1.930 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.114 -9.454 -1.326 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.222 -9.282 -1.913 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.782 -10.030 -0.104 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.559 -9.854 -0.675 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.443 -10.228 0.224 1.00 0.00 C ATOM 0 H TRP B 41 -0.054 -7.685 -6.820 1.00 0.00 H new ATOM 0 HA TRP B 41 2.284 -9.133 -6.084 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.677 -7.050 -4.978 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.122 -7.694 -4.491 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.888 -8.162 -3.815 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.225 -9.288 -1.514 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -1.003 -9.005 -2.606 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.559 -10.322 0.587 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.597 -10.005 -0.417 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.179 -10.671 1.173 1.00 0.00 H new ATOM 858 N ILE B 42 -0.593 -10.566 -5.459 1.00 0.00 N ATOM 859 CA ILE B 42 -1.201 -11.833 -5.058 1.00 0.00 C ATOM 860 C ILE B 42 -0.649 -12.970 -5.923 1.00 0.00 C ATOM 861 O ILE B 42 -0.319 -14.042 -5.416 1.00 0.00 O ATOM 862 CB ILE B 42 -2.734 -11.748 -5.209 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.340 -10.983 -4.008 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.350 -13.156 -5.303 1.00 0.00 C ATOM 865 CD1 ILE B 42 -3.570 -11.913 -2.806 1.00 0.00 C ATOM 0 H ILE B 42 -1.252 -9.874 -5.815 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.959 -12.033 -4.014 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.963 -11.210 -6.129 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.673 -10.171 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.286 -10.529 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.432 -13.074 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.939 -13.676 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.116 -13.717 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.996 -11.342 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.257 -12.710 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.620 -12.347 -2.494 1.00 0.00 H new ATOM 877 N LEU B 43 -0.565 -12.733 -7.227 1.00 0.00 N ATOM 878 CA LEU B 43 -0.065 -13.747 -8.147 1.00 0.00 C ATOM 879 C LEU B 43 1.374 -14.119 -7.801 1.00 0.00 C ATOM 880 O LEU B 43 1.748 -15.290 -7.859 1.00 0.00 O ATOM 881 CB LEU B 43 -0.132 -13.224 -9.583 1.00 0.00 C ATOM 882 CG LEU B 43 -1.596 -13.085 -10.026 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.650 -12.256 -11.310 1.00 0.00 C ATOM 884 CD2 LEU B 43 -2.217 -14.471 -10.288 1.00 0.00 C ATOM 0 H LEU B 43 -0.835 -11.854 -7.669 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.688 -14.637 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.370 -12.259 -9.651 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.395 -13.905 -10.251 1.00 0.00 H new ATOM 0 HG LEU B 43 -2.161 -12.593 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.686 -12.152 -11.633 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.227 -11.269 -11.124 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.076 -12.756 -12.090 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.254 -14.352 -10.601 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.657 -14.978 -11.074 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.179 -15.065 -9.375 1.00 0.00 H new ATOM 896 N ASP B 44 2.176 -13.124 -7.440 1.00 0.00 N ATOM 897 CA ASP B 44 3.570 -13.373 -7.085 1.00 0.00 C ATOM 898 C ASP B 44 3.659 -14.378 -5.942 1.00 0.00 C ATOM 899 O ASP B 44 4.477 -15.297 -5.972 1.00 0.00 O ATOM 900 CB ASP B 44 4.234 -12.063 -6.661 1.00 0.00 C ATOM 901 CG ASP B 44 5.694 -12.309 -6.300 1.00 0.00 C ATOM 902 OD1 ASP B 44 6.091 -13.462 -6.263 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.394 -11.339 -6.062 1.00 0.00 O ATOM 0 H ASP B 44 1.890 -12.146 -7.385 1.00 0.00 H new ATOM 0 HA ASP B 44 4.083 -13.782 -7.955 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.169 -11.335 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.707 -11.639 -5.807 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.577 13.894 -0.149 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.652 13.839 -1.274 1.00 0.00 C ATOM 1139 C VAL C 28 0.401 12.762 -1.048 1.00 0.00 C ATOM 1140 O VAL C 28 0.705 11.980 -1.945 1.00 0.00 O ATOM 1141 CB VAL C 28 0.034 15.196 -1.458 1.00 0.00 C ATOM 1142 CG1 VAL C 28 1.077 15.095 -2.574 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.014 16.246 -1.834 1.00 0.00 C ATOM 0 HA VAL C 28 -1.219 13.596 -2.173 1.00 0.00 H new ATOM 0 HB VAL C 28 0.525 15.485 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.565 16.061 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.822 14.345 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.588 14.807 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.529 17.213 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.503 15.955 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -1.758 16.318 -1.040 1.00 0.00 H new ATOM 1153 N ALA C 29 0.956 12.730 0.156 1.00 0.00 N ATOM 1154 CA ALA C 29 1.981 11.751 0.483 1.00 0.00 C ATOM 1155 C ALA C 29 1.442 10.337 0.309 1.00 0.00 C ATOM 1156 O ALA C 29 2.147 9.451 -0.172 1.00 0.00 O ATOM 1157 CB ALA C 29 2.448 11.942 1.931 1.00 0.00 C ATOM 0 H ALA C 29 0.715 13.366 0.916 1.00 0.00 H new ATOM 0 HA ALA C 29 2.823 11.897 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.215 11.204 2.166 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.859 12.944 2.052 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.602 11.813 2.606 1.00 0.00 H new ATOM 1163 N ALA C 30 0.191 10.129 0.701 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.421 8.810 0.579 1.00 0.00 C ATOM 1165 C ALA C 30 -0.348 8.325 -0.864 1.00 0.00 C ATOM 1166 O ALA C 30 0.111 7.214 -1.132 1.00 0.00 O ATOM 1167 CB ALA C 30 -1.883 8.873 1.023 1.00 0.00 C ATOM 0 H ALA C 30 -0.414 10.846 1.101 1.00 0.00 H new ATOM 0 HA ALA C 30 0.123 8.113 1.216 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.334 7.885 0.930 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -1.934 9.199 2.062 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.424 9.580 0.394 1.00 0.00 H new ATOM 1173 N SER C 31 -0.797 9.165 -1.791 1.00 0.00 N ATOM 1174 CA SER C 31 -0.766 8.808 -3.204 1.00 0.00 C ATOM 1175 C SER C 31 0.673 8.609 -3.677 1.00 0.00 C ATOM 1176 O SER C 31 0.954 7.728 -4.490 1.00 0.00 O ATOM 1177 CB SER C 31 -1.435 9.898 -4.040 1.00 0.00 C ATOM 1178 OG SER C 31 -2.745 10.135 -3.540 1.00 0.00 O ATOM 0 H SER C 31 -1.183 10.088 -1.592 1.00 0.00 H new ATOM 0 HA SER C 31 -1.311 7.873 -3.331 1.00 0.00 H new ATOM 0 HB2 SER C 31 -0.847 10.815 -4.001 1.00 0.00 H new ATOM 0 HB3 SER C 31 -1.482 9.593 -5.086 1.00 0.00 H new ATOM 0 HG SER C 31 -3.177 10.835 -4.073 1.00 0.00 H new ATOM 1184 N ILE C 32 1.577 9.442 -3.168 1.00 0.00 N ATOM 1185 CA ILE C 32 2.986 9.363 -3.547 1.00 0.00 C ATOM 1186 C ILE C 32 3.578 8.021 -3.121 1.00 0.00 C ATOM 1187 O ILE C 32 4.317 7.397 -3.873 1.00 0.00 O ATOM 1188 CB ILE C 32 3.767 10.502 -2.877 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.306 11.869 -3.441 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.272 10.308 -3.114 1.00 0.00 C ATOM 1191 CD1 ILE C 32 4.059 12.233 -4.724 1.00 0.00 C ATOM 0 H ILE C 32 1.361 10.177 -2.495 1.00 0.00 H new ATOM 0 HA ILE C 32 3.061 9.455 -4.631 1.00 0.00 H new ATOM 0 HB ILE C 32 3.572 10.486 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE C 32 2.235 11.837 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE C 32 3.466 12.645 -2.692 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.823 11.119 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.587 9.355 -2.689 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.475 10.312 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.709 13.198 -5.090 1.00 0.00 H new ATOM 0 HD12 ILE C 32 5.127 12.290 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE C 32 3.878 11.470 -5.481 1.00 0.00 H new ATOM 1203 N ILE C 33 3.253 7.582 -1.910 1.00 0.00 N ATOM 1204 CA ILE C 33 3.784 6.319 -1.413 1.00 0.00 C ATOM 1205 C ILE C 33 3.369 5.169 -2.324 1.00 0.00 C ATOM 1206 O ILE C 33 4.186 4.316 -2.663 1.00 0.00 O ATOM 1207 CB ILE C 33 3.263 6.064 0.010 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.910 7.061 0.975 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.595 4.631 0.449 1.00 0.00 C ATOM 1210 CD1 ILE C 33 3.156 7.036 2.306 1.00 0.00 C ATOM 0 H ILE C 33 2.635 8.073 -1.264 1.00 0.00 H new ATOM 0 HA ILE C 33 4.872 6.379 -1.399 1.00 0.00 H new ATOM 0 HB ILE C 33 2.181 6.193 0.021 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.958 6.805 1.132 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.887 8.064 0.549 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.220 4.464 1.459 1.00 0.00 H new ATOM 0 HG22 ILE C 33 3.125 3.923 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.675 4.487 0.434 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.613 7.745 2.997 1.00 0.00 H new ATOM 0 HD12 ILE C 33 2.115 7.312 2.140 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.202 6.034 2.731 1.00 0.00 H new ATOM 1222 N GLY C 34 2.108 5.145 -2.723 1.00 0.00 N ATOM 1223 CA GLY C 34 1.631 4.085 -3.597 1.00 0.00 C ATOM 1224 C GLY C 34 2.321 4.134 -4.960 1.00 0.00 C ATOM 1225 O GLY C 34 2.710 3.101 -5.503 1.00 0.00 O ATOM 0 H GLY C 34 1.405 5.836 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.813 3.117 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.553 4.178 -3.729 1.00 0.00 H new ATOM 1229 N ILE C 35 2.456 5.336 -5.516 1.00 0.00 N ATOM 1230 CA ILE C 35 3.088 5.494 -6.824 1.00 0.00 C ATOM 1231 C ILE C 35 4.590 5.203 -6.773 1.00 0.00 C ATOM 1232 O ILE C 35 5.102 4.410 -7.563 1.00 0.00 O ATOM 1233 CB ILE C 35 2.860 6.921 -7.330 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.363 7.140 -7.556 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.609 7.127 -8.650 1.00 0.00 C ATOM 1236 CD1 ILE C 35 1.084 8.631 -7.753 1.00 0.00 C ATOM 0 H ILE C 35 2.140 6.206 -5.087 1.00 0.00 H new ATOM 0 HA ILE C 35 2.633 4.773 -7.504 1.00 0.00 H new ATOM 0 HB ILE C 35 3.230 7.632 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE C 35 1.032 6.580 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.798 6.764 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.444 8.144 -9.007 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.675 6.966 -8.492 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.241 6.418 -9.392 1.00 0.00 H new ATOM 0 HD11 ILE C 35 0.017 8.783 -7.914 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.399 9.180 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.637 8.993 -8.620 1.00 0.00 H new ATOM 1248 N LEU C 36 5.291 5.857 -5.849 1.00 0.00 N ATOM 1249 CA LEU C 36 6.739 5.671 -5.716 1.00 0.00 C ATOM 1250 C LEU C 36 7.072 4.237 -5.311 1.00 0.00 C ATOM 1251 O LEU C 36 8.006 3.633 -5.843 1.00 0.00 O ATOM 1252 CB LEU C 36 7.300 6.653 -4.669 1.00 0.00 C ATOM 1253 CG LEU C 36 7.636 8.009 -5.323 1.00 0.00 C ATOM 1254 CD1 LEU C 36 8.883 7.884 -6.229 1.00 0.00 C ATOM 1255 CD2 LEU C 36 6.437 8.502 -6.153 1.00 0.00 C ATOM 0 H LEU C 36 4.886 6.516 -5.185 1.00 0.00 H new ATOM 0 HA LEU C 36 7.199 5.870 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.571 6.798 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU C 36 8.195 6.232 -4.211 1.00 0.00 H new ATOM 0 HG LEU C 36 7.850 8.729 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.103 8.851 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.735 7.560 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.691 7.152 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU C 36 6.681 9.460 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU C 36 6.210 7.774 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.570 8.621 -5.504 1.00 0.00 H new ATOM 1267 N HIS C 37 6.308 3.696 -4.374 1.00 0.00 N ATOM 1268 CA HIS C 37 6.540 2.337 -3.917 1.00 0.00 C ATOM 1269 C HIS C 37 6.409 1.364 -5.081 1.00 0.00 C ATOM 1270 O HIS C 37 7.191 0.421 -5.206 1.00 0.00 O ATOM 1271 CB HIS C 37 5.543 1.968 -2.824 1.00 0.00 C ATOM 1272 CG HIS C 37 5.813 0.566 -2.367 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.208 0.277 -1.077 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.770 -0.636 -3.021 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.388 -1.050 -0.994 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.132 -1.657 -2.152 1.00 0.00 N ATOM 0 H HIS C 37 5.529 4.173 -3.920 1.00 0.00 H new ATOM 0 HA HIS C 37 7.550 2.276 -3.511 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.630 2.660 -1.986 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.524 2.051 -3.201 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.496 -0.770 -4.057 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.702 -1.564 -0.097 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.189 -2.655 -2.356 1.00 0.00 H new ATOM 1284 N LEU C 38 5.408 1.591 -5.928 1.00 0.00 N ATOM 1285 CA LEU C 38 5.174 0.722 -7.077 1.00 0.00 C ATOM 1286 C LEU C 38 6.362 0.736 -8.028 1.00 0.00 C ATOM 1287 O LEU C 38 6.723 -0.298 -8.579 1.00 0.00 O ATOM 1288 CB LEU C 38 3.896 1.149 -7.828 1.00 0.00 C ATOM 1289 CG LEU C 38 2.655 0.472 -7.217 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.379 1.103 -7.805 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.674 -1.045 -7.523 1.00 0.00 C ATOM 0 H LEU C 38 4.749 2.365 -5.841 1.00 0.00 H new ATOM 0 HA LEU C 38 5.044 -0.294 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.786 2.232 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.981 0.882 -8.881 1.00 0.00 H new ATOM 0 HG LEU C 38 2.666 0.617 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.502 0.622 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.360 2.168 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.370 0.966 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.793 -1.515 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.671 -1.199 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.572 -1.491 -7.096 1.00 0.00 H new ATOM 1303 N ILE C 39 6.961 1.895 -8.231 1.00 0.00 N ATOM 1304 CA ILE C 39 8.094 1.980 -9.139 1.00 0.00 C ATOM 1305 C ILE C 39 9.226 1.075 -8.664 1.00 0.00 C ATOM 1306 O ILE C 39 9.780 0.297 -9.442 1.00 0.00 O ATOM 1307 CB ILE C 39 8.585 3.429 -9.207 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.509 4.291 -9.876 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.884 3.502 -10.014 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.872 5.773 -9.749 1.00 0.00 C ATOM 0 H ILE C 39 6.691 2.775 -7.791 1.00 0.00 H new ATOM 0 HA ILE C 39 7.779 1.653 -10.130 1.00 0.00 H new ATOM 0 HB ILE C 39 8.776 3.797 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.416 4.020 -10.928 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.541 4.104 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.227 4.536 -10.058 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.645 2.887 -9.534 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.705 3.136 -11.025 1.00 0.00 H new ATOM 0 HD11 ILE C 39 7.102 6.378 -10.227 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.942 6.041 -8.695 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.831 5.956 -10.234 1.00 0.00 H new ATOM 1322 N LEU C 40 9.566 1.178 -7.386 1.00 0.00 N ATOM 1323 CA LEU C 40 10.634 0.360 -6.822 1.00 0.00 C ATOM 1324 C LEU C 40 10.209 -1.104 -6.720 1.00 0.00 C ATOM 1325 O LEU C 40 10.977 -2.011 -7.042 1.00 0.00 O ATOM 1326 CB LEU C 40 10.999 0.888 -5.437 1.00 0.00 C ATOM 1327 CG LEU C 40 11.504 2.334 -5.550 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.746 2.893 -4.144 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.815 2.382 -6.359 1.00 0.00 C ATOM 0 H LEU C 40 9.122 1.814 -6.724 1.00 0.00 H new ATOM 0 HA LEU C 40 11.500 0.418 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.130 0.847 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.767 0.258 -4.988 1.00 0.00 H new ATOM 0 HG LEU C 40 10.754 2.936 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU C 40 12.105 3.920 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.814 2.874 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.492 2.284 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU C 40 13.161 3.413 -6.431 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.573 1.779 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.640 1.988 -7.360 1.00 0.00 H new ATOM 1341 N TRP C 41 8.978 -1.329 -6.261 1.00 0.00 N ATOM 1342 CA TRP C 41 8.462 -2.687 -6.113 1.00 0.00 C ATOM 1343 C TRP C 41 8.309 -3.369 -7.472 1.00 0.00 C ATOM 1344 O TRP C 41 8.558 -4.569 -7.603 1.00 0.00 O ATOM 1345 CB TRP C 41 7.131 -2.666 -5.344 1.00 0.00 C ATOM 1346 CG TRP C 41 6.532 -4.040 -5.326 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.874 -5.031 -4.468 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.439 -4.567 -6.137 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.108 -6.148 -4.746 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.205 -5.908 -5.759 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.652 -4.024 -7.166 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.224 -6.678 -6.376 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.656 -4.799 -7.784 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.447 -6.124 -7.391 1.00 0.00 C ATOM 0 H TRP C 41 8.325 -0.594 -5.988 1.00 0.00 H new ATOM 0 HA TRP C 41 9.181 -3.271 -5.538 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.295 -2.318 -4.324 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.441 -1.965 -5.813 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.623 -4.960 -3.693 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.200 -7.040 -4.261 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.813 -3.005 -7.484 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.065 -7.701 -6.069 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.049 -4.369 -8.567 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.684 -6.717 -7.873 1.00 0.00 H new ATOM 1365 N ILE C 42 7.909 -2.603 -8.480 1.00 0.00 N ATOM 1366 CA ILE C 42 7.735 -3.148 -9.826 1.00 0.00 C ATOM 1367 C ILE C 42 9.075 -3.666 -10.354 1.00 0.00 C ATOM 1368 O ILE C 42 9.144 -4.747 -10.939 1.00 0.00 O ATOM 1369 CB ILE C 42 7.182 -2.053 -10.765 1.00 0.00 C ATOM 1370 CG1 ILE C 42 5.660 -1.890 -10.545 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.468 -2.405 -12.237 1.00 0.00 C ATOM 1372 CD1 ILE C 42 4.859 -2.915 -11.364 1.00 0.00 C ATOM 0 H ILE C 42 7.699 -1.608 -8.395 1.00 0.00 H new ATOM 0 HA ILE C 42 7.026 -3.975 -9.790 1.00 0.00 H new ATOM 0 HB ILE C 42 7.680 -1.112 -10.532 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.430 -2.009 -9.486 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.357 -0.881 -10.826 1.00 0.00 H new ATOM 0 HG21 ILE C 42 7.071 -1.622 -12.882 1.00 0.00 H new ATOM 0 HG22 ILE C 42 8.544 -2.489 -12.389 1.00 0.00 H new ATOM 0 HG23 ILE C 42 6.992 -3.354 -12.483 1.00 0.00 H new ATOM 0 HD11 ILE C 42 3.793 -2.771 -11.185 1.00 0.00 H new ATOM 0 HD12 ILE C 42 5.070 -2.778 -12.425 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.144 -3.923 -11.064 1.00 0.00 H new ATOM 1384 N LEU C 43 10.129 -2.885 -10.157 1.00 0.00 N ATOM 1385 CA LEU C 43 11.454 -3.273 -10.628 1.00 0.00 C ATOM 1386 C LEU C 43 11.897 -4.574 -9.965 1.00 0.00 C ATOM 1387 O LEU C 43 12.492 -5.435 -10.609 1.00 0.00 O ATOM 1388 CB LEU C 43 12.463 -2.164 -10.318 1.00 0.00 C ATOM 1389 CG LEU C 43 12.166 -0.926 -11.178 1.00 0.00 C ATOM 1390 CD1 LEU C 43 12.950 0.263 -10.622 1.00 0.00 C ATOM 1391 CD2 LEU C 43 12.581 -1.170 -12.642 1.00 0.00 C ATOM 0 H LEU C 43 10.094 -1.985 -9.678 1.00 0.00 H new ATOM 0 HA LEU C 43 11.408 -3.428 -11.706 1.00 0.00 H new ATOM 0 HB2 LEU C 43 12.415 -1.902 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU C 43 13.475 -2.518 -10.513 1.00 0.00 H new ATOM 0 HG LEU C 43 11.096 -0.721 -11.149 1.00 0.00 H new ATOM 0 HD11 LEU C 43 12.746 1.147 -11.226 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.647 0.449 -9.592 1.00 0.00 H new ATOM 0 HD13 LEU C 43 14.017 0.041 -10.652 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.363 -0.282 -13.235 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.649 -1.383 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU C 43 12.025 -2.018 -13.041 1.00 0.00 H new ATOM 1403 N ASP C 44 11.602 -4.715 -8.676 1.00 0.00 N ATOM 1404 CA ASP C 44 11.977 -5.922 -7.946 1.00 0.00 C ATOM 1405 C ASP C 44 11.385 -7.157 -8.618 1.00 0.00 C ATOM 1406 O ASP C 44 12.061 -8.171 -8.786 1.00 0.00 O ATOM 1407 CB ASP C 44 11.468 -5.834 -6.510 1.00 0.00 C ATOM 1408 CG ASP C 44 11.864 -7.085 -5.735 1.00 0.00 C ATOM 1409 OD1 ASP C 44 12.383 -8.001 -6.351 1.00 0.00 O ATOM 1410 OD2 ASP C 44 11.641 -7.109 -4.536 1.00 0.00 O ATOM 0 H ASP C 44 11.109 -4.016 -8.120 1.00 0.00 H new ATOM 0 HA ASP C 44 13.064 -6.005 -7.946 1.00 0.00 H new ATOM 0 HB2 ASP C 44 11.880 -4.950 -6.024 1.00 0.00 H new ATOM 0 HB3 ASP C 44 10.384 -5.723 -6.507 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.610 8.005 8.600 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.780 8.840 7.738 1.00 0.00 C ATOM 1630 C VAL D 27 -5.316 8.786 8.180 1.00 0.00 C ATOM 1631 O VAL D 27 -4.415 8.563 7.367 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.278 10.287 7.796 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -6.326 11.197 7.016 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.678 10.365 7.184 1.00 0.00 C ATOM 0 HA VAL D 27 -6.850 8.465 6.717 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.313 10.615 8.835 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.686 12.225 7.061 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -5.329 11.142 7.454 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -6.283 10.873 5.976 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -9.036 11.394 7.224 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.640 10.034 6.146 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -9.357 9.723 7.745 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.090 8.990 9.475 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.739 8.965 10.017 1.00 0.00 C ATOM 1646 C VAL D 28 -3.140 7.570 9.892 1.00 0.00 C ATOM 1647 O VAL D 28 -1.993 7.412 9.479 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.752 9.385 11.489 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.341 9.260 12.071 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.220 10.838 11.597 1.00 0.00 C ATOM 0 H VAL D 28 -5.821 9.173 10.163 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.129 9.666 9.447 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.431 8.739 12.045 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.352 9.559 13.119 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.005 8.226 11.992 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.660 9.906 11.516 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.230 11.140 12.644 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.539 11.482 11.040 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.224 10.928 11.183 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.922 6.563 10.254 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.454 5.187 10.187 1.00 0.00 C ATOM 1662 C ALA D 29 -3.053 4.828 8.761 1.00 0.00 C ATOM 1663 O ALA D 29 -2.062 4.138 8.543 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.555 4.234 10.660 1.00 0.00 C ATOM 0 H ALA D 29 -4.877 6.672 10.595 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.584 5.089 10.836 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.195 3.207 10.606 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.824 4.471 11.690 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.431 4.345 10.022 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.828 5.305 7.793 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.536 5.019 6.393 1.00 0.00 C ATOM 1672 C ALA D 30 -2.120 5.461 6.046 1.00 0.00 C ATOM 1673 O ALA D 30 -1.334 4.686 5.498 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.531 5.750 5.493 1.00 0.00 C ATOM 0 H ALA D 30 -4.653 5.884 7.948 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.623 3.944 6.234 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.306 5.531 4.449 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.543 5.417 5.724 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.455 6.824 5.663 1.00 0.00 H new ATOM 1680 N SER D 31 -1.797 6.707 6.375 1.00 0.00 N ATOM 1681 CA SER D 31 -0.464 7.233 6.099 1.00 0.00 C ATOM 1682 C SER D 31 0.593 6.452 6.878 1.00 0.00 C ATOM 1683 O SER D 31 1.692 6.208 6.379 1.00 0.00 O ATOM 1684 CB SER D 31 -0.391 8.712 6.471 1.00 0.00 C ATOM 1685 OG SER D 31 -1.427 9.417 5.801 1.00 0.00 O ATOM 0 H SER D 31 -2.431 7.365 6.828 1.00 0.00 H new ATOM 0 HA SER D 31 -0.267 7.123 5.033 1.00 0.00 H new ATOM 0 HB2 SER D 31 -0.492 8.833 7.550 1.00 0.00 H new ATOM 0 HB3 SER D 31 0.581 9.121 6.194 1.00 0.00 H new ATOM 0 HG SER D 31 -1.384 10.367 6.039 1.00 0.00 H new ATOM 1691 N ILE D 32 0.254 6.078 8.107 1.00 0.00 N ATOM 1692 CA ILE D 32 1.177 5.335 8.960 1.00 0.00 C ATOM 1693 C ILE D 32 1.504 3.978 8.338 1.00 0.00 C ATOM 1694 O ILE D 32 2.654 3.552 8.334 1.00 0.00 O ATOM 1695 CB ILE D 32 0.547 5.123 10.344 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.382 6.483 11.067 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.429 4.179 11.176 1.00 0.00 C ATOM 1698 CD1 ILE D 32 1.659 6.887 11.811 1.00 0.00 C ATOM 0 H ILE D 32 -0.651 6.276 8.535 1.00 0.00 H new ATOM 0 HA ILE D 32 2.098 5.910 9.060 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.438 4.672 10.224 1.00 0.00 H new ATOM 0 HG12 ILE D 32 0.125 7.253 10.340 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -0.447 6.422 11.773 1.00 0.00 H new ATOM 0 HG21 ILE D 32 0.979 4.031 12.158 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.515 3.219 10.668 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.420 4.617 11.294 1.00 0.00 H new ATOM 0 HD11 ILE D 32 1.504 7.846 12.305 1.00 0.00 H new ATOM 0 HD12 ILE D 32 1.901 6.129 12.556 1.00 0.00 H new ATOM 0 HD13 ILE D 32 2.482 6.973 11.101 1.00 0.00 H new ATOM 1710 N ILE D 33 0.489 3.302 7.815 1.00 0.00 N ATOM 1711 CA ILE D 33 0.704 1.993 7.212 1.00 0.00 C ATOM 1712 C ILE D 33 1.692 2.088 6.056 1.00 0.00 C ATOM 1713 O ILE D 33 2.598 1.268 5.940 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.634 1.433 6.703 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.519 1.066 7.900 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.393 0.189 5.835 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -2.951 0.831 7.414 1.00 0.00 C ATOM 0 H ILE D 33 -0.476 3.631 7.796 1.00 0.00 H new ATOM 0 HA ILE D 33 1.117 1.326 7.968 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.132 2.191 6.098 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.137 0.170 8.389 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.500 1.866 8.640 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.348 -0.198 5.481 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.229 0.456 4.981 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.111 -0.575 6.426 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.585 0.570 8.262 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.329 1.739 6.944 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -2.960 0.017 6.689 1.00 0.00 H new ATOM 1729 N GLY D 34 1.525 3.089 5.207 1.00 0.00 N ATOM 1730 CA GLY D 34 2.426 3.256 4.076 1.00 0.00 C ATOM 1731 C GLY D 34 3.848 3.563 4.541 1.00 0.00 C ATOM 1732 O GLY D 34 4.813 3.022 4.002 1.00 0.00 O ATOM 0 H GLY D 34 0.786 3.789 5.276 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.426 2.349 3.471 1.00 0.00 H new ATOM 0 HA3 GLY D 34 2.067 4.064 3.438 1.00 0.00 H new ATOM 1736 N ILE D 35 3.974 4.447 5.529 1.00 0.00 N ATOM 1737 CA ILE D 35 5.290 4.825 6.037 1.00 0.00 C ATOM 1738 C ILE D 35 5.960 3.678 6.799 1.00 0.00 C ATOM 1739 O ILE D 35 7.104 3.324 6.518 1.00 0.00 O ATOM 1740 CB ILE D 35 5.150 6.040 6.959 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.657 7.235 6.143 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.510 6.374 7.582 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.212 8.353 7.087 1.00 0.00 C ATOM 0 H ILE D 35 3.190 4.910 5.989 1.00 0.00 H new ATOM 0 HA ILE D 35 5.921 5.069 5.182 1.00 0.00 H new ATOM 0 HB ILE D 35 4.437 5.816 7.752 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.451 7.593 5.488 1.00 0.00 H new ATOM 0 HG13 ILE D 35 3.827 6.934 5.503 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.407 7.239 8.237 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.865 5.521 8.160 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.226 6.600 6.792 1.00 0.00 H new ATOM 0 HD11 ILE D 35 3.861 9.204 6.503 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.404 7.992 7.724 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.053 8.661 7.708 1.00 0.00 H new ATOM 1755 N LEU D 36 5.246 3.111 7.769 1.00 0.00 N ATOM 1756 CA LEU D 36 5.789 2.014 8.576 1.00 0.00 C ATOM 1757 C LEU D 36 6.059 0.782 7.716 1.00 0.00 C ATOM 1758 O LEU D 36 7.094 0.131 7.858 1.00 0.00 O ATOM 1759 CB LEU D 36 4.802 1.656 9.707 1.00 0.00 C ATOM 1760 CG LEU D 36 5.044 2.550 10.940 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.367 2.166 11.643 1.00 0.00 C ATOM 1762 CD2 LEU D 36 5.093 4.028 10.515 1.00 0.00 C ATOM 0 H LEU D 36 4.296 3.389 8.016 1.00 0.00 H new ATOM 0 HA LEU D 36 6.734 2.344 9.008 1.00 0.00 H new ATOM 0 HB2 LEU D 36 3.778 1.780 9.356 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.920 0.608 9.982 1.00 0.00 H new ATOM 0 HG LEU D 36 4.222 2.401 11.640 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.518 2.809 12.510 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.319 1.126 11.966 1.00 0.00 H new ATOM 0 HD13 LEU D 36 7.198 2.292 10.949 1.00 0.00 H new ATOM 0 HD21 LEU D 36 5.264 4.653 11.391 1.00 0.00 H new ATOM 0 HD22 LEU D 36 5.903 4.175 9.801 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.146 4.305 10.051 1.00 0.00 H new ATOM 1774 N HIS D 37 5.131 0.472 6.823 1.00 0.00 N ATOM 1775 CA HIS D 37 5.291 -0.684 5.955 1.00 0.00 C ATOM 1776 C HIS D 37 6.550 -0.531 5.111 1.00 0.00 C ATOM 1777 O HIS D 37 7.291 -1.492 4.904 1.00 0.00 O ATOM 1778 CB HIS D 37 4.077 -0.834 5.043 1.00 0.00 C ATOM 1779 CG HIS D 37 4.269 -2.035 4.168 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.435 -3.131 4.232 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.208 -2.335 3.216 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.881 -4.036 3.344 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.960 -3.599 2.696 1.00 0.00 N ATOM 0 H HIS D 37 4.269 0.998 6.681 1.00 0.00 H new ATOM 0 HA HIS D 37 5.380 -1.576 6.576 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.170 -0.943 5.638 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.952 0.060 4.433 1.00 0.00 H new ATOM 0 HD2 HIS D 37 6.018 -1.687 2.916 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.421 -4.999 3.176 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.490 -4.087 1.974 1.00 0.00 H new ATOM 1791 N LEU D 38 6.781 0.681 4.615 1.00 0.00 N ATOM 1792 CA LEU D 38 7.951 0.949 3.783 1.00 0.00 C ATOM 1793 C LEU D 38 9.240 0.702 4.551 1.00 0.00 C ATOM 1794 O LEU D 38 10.200 0.183 3.994 1.00 0.00 O ATOM 1795 CB LEU D 38 7.919 2.400 3.258 1.00 0.00 C ATOM 1796 CG LEU D 38 7.119 2.487 1.945 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.877 3.962 1.579 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.894 1.787 0.804 1.00 0.00 C ATOM 0 H LEU D 38 6.178 1.489 4.773 1.00 0.00 H new ATOM 0 HA LEU D 38 7.921 0.264 2.936 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.470 3.053 4.007 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.936 2.755 3.094 1.00 0.00 H new ATOM 0 HG LEU D 38 6.160 1.988 2.082 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.311 4.018 0.649 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.314 4.447 2.377 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.834 4.467 1.452 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.320 1.854 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.859 2.274 0.668 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.049 0.739 1.059 1.00 0.00 H new ATOM 1810 N ILE D 39 9.272 1.080 5.816 1.00 0.00 N ATOM 1811 CA ILE D 39 10.479 0.887 6.604 1.00 0.00 C ATOM 1812 C ILE D 39 10.842 -0.595 6.666 1.00 0.00 C ATOM 1813 O ILE D 39 11.989 -0.973 6.423 1.00 0.00 O ATOM 1814 CB ILE D 39 10.255 1.422 8.020 1.00 0.00 C ATOM 1815 CG1 ILE D 39 10.095 2.945 7.958 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.449 1.063 8.910 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.646 3.481 9.321 1.00 0.00 C ATOM 0 H ILE D 39 8.494 1.514 6.313 1.00 0.00 H new ATOM 0 HA ILE D 39 11.299 1.429 6.133 1.00 0.00 H new ATOM 0 HB ILE D 39 9.355 0.973 8.441 1.00 0.00 H new ATOM 0 HG12 ILE D 39 11.039 3.407 7.670 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.364 3.211 7.195 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.281 1.448 9.916 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.561 -0.021 8.950 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.356 1.506 8.499 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.535 4.564 9.267 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.691 3.031 9.592 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.392 3.230 10.075 1.00 0.00 H new ATOM 1829 N LEU D 40 9.862 -1.429 6.992 1.00 0.00 N ATOM 1830 CA LEU D 40 10.096 -2.866 7.081 1.00 0.00 C ATOM 1831 C LEU D 40 10.321 -3.471 5.696 1.00 0.00 C ATOM 1832 O LEU D 40 11.213 -4.298 5.506 1.00 0.00 O ATOM 1833 CB LEU D 40 8.893 -3.533 7.744 1.00 0.00 C ATOM 1834 CG LEU D 40 8.711 -2.980 9.165 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.430 -3.560 9.770 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.920 -3.358 10.044 1.00 0.00 C ATOM 0 H LEU D 40 8.906 -1.139 7.198 1.00 0.00 H new ATOM 0 HA LEU D 40 10.992 -3.037 7.678 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.994 -3.351 7.155 1.00 0.00 H new ATOM 0 HB3 LEU D 40 9.038 -4.613 7.780 1.00 0.00 H new ATOM 0 HG LEU D 40 8.638 -1.893 9.121 1.00 0.00 H new ATOM 0 HD11 LEU D 40 7.296 -3.171 10.779 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.576 -3.276 9.155 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.505 -4.647 9.807 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.778 -2.960 11.049 1.00 0.00 H new ATOM 0 HD22 LEU D 40 10.009 -4.443 10.093 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.829 -2.939 9.613 1.00 0.00 H new ATOM 1848 N TRP D 41 9.502 -3.058 4.732 1.00 0.00 N ATOM 1849 CA TRP D 41 9.617 -3.570 3.369 1.00 0.00 C ATOM 1850 C TRP D 41 10.936 -3.139 2.728 1.00 0.00 C ATOM 1851 O TRP D 41 11.547 -3.902 1.979 1.00 0.00 O ATOM 1852 CB TRP D 41 8.411 -3.118 2.530 1.00 0.00 C ATOM 1853 CG TRP D 41 8.609 -3.517 1.101 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.351 -4.748 0.591 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.023 -2.692 -0.026 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.648 -4.741 -0.761 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.054 -3.495 -1.188 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.391 -1.341 -0.149 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.434 -2.979 -2.422 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.765 -0.815 -1.398 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.789 -1.636 -2.530 1.00 0.00 C ATOM 0 H TRP D 41 8.757 -2.375 4.868 1.00 0.00 H new ATOM 0 HA TRP D 41 9.617 -4.659 3.407 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.497 -3.567 2.919 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.291 -2.037 2.602 1.00 0.00 H new ATOM 0 HD1 TRP D 41 7.976 -5.594 1.148 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.575 -5.558 -1.367 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.386 -0.703 0.722 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.454 -3.617 -3.293 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.035 0.227 -1.484 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.082 -1.230 -3.487 1.00 0.00 H new ATOM 1872 N ILE D 42 11.372 -1.920 3.027 1.00 0.00 N ATOM 1873 CA ILE D 42 12.624 -1.404 2.476 1.00 0.00 C ATOM 1874 C ILE D 42 13.796 -2.268 2.947 1.00 0.00 C ATOM 1875 O ILE D 42 14.680 -2.611 2.164 1.00 0.00 O ATOM 1876 CB ILE D 42 12.829 0.059 2.925 1.00 0.00 C ATOM 1877 CG1 ILE D 42 11.963 1.003 2.060 1.00 0.00 C ATOM 1878 CG2 ILE D 42 14.314 0.457 2.819 1.00 0.00 C ATOM 1879 CD1 ILE D 42 12.671 1.371 0.745 1.00 0.00 C ATOM 0 H ILE D 42 10.882 -1.273 3.644 1.00 0.00 H new ATOM 0 HA ILE D 42 12.577 -1.437 1.388 1.00 0.00 H new ATOM 0 HB ILE D 42 12.522 0.148 3.967 1.00 0.00 H new ATOM 0 HG12 ILE D 42 11.010 0.523 1.839 1.00 0.00 H new ATOM 0 HG13 ILE D 42 11.741 1.911 2.621 1.00 0.00 H new ATOM 0 HG21 ILE D 42 14.437 1.491 3.140 1.00 0.00 H new ATOM 0 HG22 ILE D 42 14.912 -0.194 3.457 1.00 0.00 H new ATOM 0 HG23 ILE D 42 14.645 0.356 1.785 1.00 0.00 H new ATOM 0 HD11 ILE D 42 12.033 2.036 0.162 1.00 0.00 H new ATOM 0 HD12 ILE D 42 13.612 1.874 0.967 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.870 0.465 0.173 1.00 0.00 H new ATOM 1891 N LEU D 43 13.801 -2.605 4.232 1.00 0.00 N ATOM 1892 CA LEU D 43 14.874 -3.418 4.793 1.00 0.00 C ATOM 1893 C LEU D 43 14.925 -4.780 4.109 1.00 0.00 C ATOM 1894 O LEU D 43 16.004 -5.302 3.833 1.00 0.00 O ATOM 1895 CB LEU D 43 14.655 -3.601 6.297 1.00 0.00 C ATOM 1896 CG LEU D 43 14.850 -2.262 7.024 1.00 0.00 C ATOM 1897 CD1 LEU D 43 14.302 -2.385 8.447 1.00 0.00 C ATOM 1898 CD2 LEU D 43 16.344 -1.890 7.085 1.00 0.00 C ATOM 0 H LEU D 43 13.081 -2.331 4.900 1.00 0.00 H new ATOM 0 HA LEU D 43 15.822 -2.907 4.626 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.651 -3.982 6.483 1.00 0.00 H new ATOM 0 HB3 LEU D 43 15.354 -4.341 6.687 1.00 0.00 H new ATOM 0 HG LEU D 43 14.318 -1.482 6.479 1.00 0.00 H new ATOM 0 HD11 LEU D 43 14.436 -1.439 8.972 1.00 0.00 H new ATOM 0 HD12 LEU D 43 13.241 -2.631 8.408 1.00 0.00 H new ATOM 0 HD13 LEU D 43 14.838 -3.173 8.977 1.00 0.00 H new ATOM 0 HD21 LEU D 43 16.461 -0.939 7.604 1.00 0.00 H new ATOM 0 HD22 LEU D 43 16.890 -2.666 7.622 1.00 0.00 H new ATOM 0 HD23 LEU D 43 16.739 -1.802 6.073 1.00 0.00 H new ATOM 1910 N ASP D 44 13.757 -5.351 3.836 1.00 0.00 N ATOM 1911 CA ASP D 44 13.693 -6.655 3.180 1.00 0.00 C ATOM 1912 C ASP D 44 14.431 -6.616 1.845 1.00 0.00 C ATOM 1913 O ASP D 44 15.189 -7.529 1.516 1.00 0.00 O ATOM 1914 CB ASP D 44 12.234 -7.040 2.941 1.00 0.00 C ATOM 1915 CG ASP D 44 12.156 -8.403 2.265 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.197 -8.923 1.899 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.054 -8.909 2.121 1.00 0.00 O ATOM 0 H ASP D 44 12.850 -4.938 4.055 1.00 0.00 H new ATOM 0 HA ASP D 44 14.167 -7.394 3.826 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.696 -7.064 3.889 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.749 -6.288 2.318 1.00 0.00 H new