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 -40:sc= 0.77 USER MOD Single : A 37 HIS : no HD1:sc= -8.5! C(o=-8.5!,f=-9.9!) USER MOD Single : B 31 SER OG : rot -45:sc= 0.802 USER MOD Single : B 37 HIS : no HD1:sc= -7.63! C(o=-7.6!,f=-7.9!) USER MOD Single : C 31 SER OG : rot -27:sc= 0.778 USER MOD Single : C 37 HIS : no HD1:sc= -8.1! C(o=-8.1!,f=-9.5!) USER MOD Single : D 31 SER OG : rot -26:sc= 0.787 USER MOD Single : D 37 HIS : no HD1:sc= -7.54! C(o=-7.5!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -13.088 4.944 1.187 1.00 0.00 N ATOM 108 CA VAL A 27 -12.091 5.329 2.178 1.00 0.00 C ATOM 109 C VAL A 27 -11.916 4.222 3.222 1.00 0.00 C ATOM 110 O VAL A 27 -10.797 3.904 3.635 1.00 0.00 O ATOM 111 CB VAL A 27 -12.522 6.632 2.860 1.00 0.00 C ATOM 112 CG1 VAL A 27 -13.003 7.627 1.798 1.00 0.00 C ATOM 113 CG2 VAL A 27 -13.655 6.361 3.852 1.00 0.00 C ATOM 0 HA VAL A 27 -11.135 5.482 1.676 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.671 7.048 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.310 8.555 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.193 7.833 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.849 7.202 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.952 7.295 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.508 5.937 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.313 5.658 4.611 1.00 0.00 H new ATOM 123 N VAL A 28 -13.037 3.642 3.642 1.00 0.00 N ATOM 124 CA VAL A 28 -13.009 2.584 4.640 1.00 0.00 C ATOM 125 C VAL A 28 -12.232 1.385 4.115 1.00 0.00 C ATOM 126 O VAL A 28 -11.410 0.805 4.825 1.00 0.00 O ATOM 127 CB VAL A 28 -14.438 2.162 5.003 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.391 0.969 5.961 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.159 3.331 5.681 1.00 0.00 C ATOM 0 H VAL A 28 -13.969 3.887 3.308 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.513 2.962 5.534 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.974 1.880 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.407 0.669 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.878 0.136 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.855 1.251 6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.175 3.032 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.623 3.613 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.194 4.181 5.000 1.00 0.00 H new ATOM 139 N ALA A 29 -12.494 1.025 2.864 1.00 0.00 N ATOM 140 CA ALA A 29 -11.809 -0.103 2.247 1.00 0.00 C ATOM 141 C ALA A 29 -10.312 0.171 2.164 1.00 0.00 C ATOM 142 O ALA A 29 -9.498 -0.729 2.347 1.00 0.00 O ATOM 143 CB ALA A 29 -12.365 -0.354 0.844 1.00 0.00 C ATOM 0 H ALA A 29 -13.170 1.494 2.261 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.975 -0.988 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.846 -1.199 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.430 -0.575 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.216 0.534 0.229 1.00 0.00 H new ATOM 149 N ALA A 30 -9.955 1.420 1.889 1.00 0.00 N ATOM 150 CA ALA A 30 -8.548 1.794 1.782 1.00 0.00 C ATOM 151 C ALA A 30 -7.787 1.383 3.037 1.00 0.00 C ATOM 152 O ALA A 30 -6.719 0.778 2.955 1.00 0.00 O ATOM 153 CB ALA A 30 -8.427 3.305 1.579 1.00 0.00 C ATOM 0 H ALA A 30 -10.612 2.185 1.737 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.116 1.276 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.375 3.578 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.946 3.592 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.874 3.823 2.428 1.00 0.00 H new ATOM 159 N SER A 31 -8.342 1.716 4.196 1.00 0.00 N ATOM 160 CA SER A 31 -7.701 1.370 5.461 1.00 0.00 C ATOM 161 C SER A 31 -7.671 -0.144 5.663 1.00 0.00 C ATOM 162 O SER A 31 -6.680 -0.699 6.140 1.00 0.00 O ATOM 163 CB SER A 31 -8.452 2.025 6.617 1.00 0.00 C ATOM 164 OG SER A 31 -9.805 1.588 6.604 1.00 0.00 O ATOM 0 H SER A 31 -9.224 2.219 4.288 1.00 0.00 H new ATOM 0 HA SER A 31 -6.675 1.736 5.435 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.982 1.764 7.565 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.407 3.110 6.527 1.00 0.00 H new ATOM 0 HG SER A 31 -10.128 1.551 5.679 1.00 0.00 H new ATOM 170 N ILE A 32 -8.764 -0.802 5.300 1.00 0.00 N ATOM 171 CA ILE A 32 -8.864 -2.253 5.440 1.00 0.00 C ATOM 172 C ILE A 32 -7.860 -2.954 4.528 1.00 0.00 C ATOM 173 O ILE A 32 -7.222 -3.926 4.927 1.00 0.00 O ATOM 174 CB ILE A 32 -10.282 -2.723 5.108 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.247 -2.203 6.176 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.323 -4.256 5.089 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.688 -2.440 5.720 1.00 0.00 C ATOM 0 H ILE A 32 -9.594 -0.357 4.907 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.636 -2.511 6.474 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.574 -2.341 4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.066 -2.711 7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.079 -1.140 6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.333 -4.590 4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.631 -4.629 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.034 -4.640 6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.376 -2.070 6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.865 -1.912 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.852 -3.507 5.571 1.00 0.00 H new ATOM 189 N ILE A 33 -7.736 -2.463 3.302 1.00 0.00 N ATOM 190 CA ILE A 33 -6.815 -3.060 2.343 1.00 0.00 C ATOM 191 C ILE A 33 -5.388 -3.022 2.876 1.00 0.00 C ATOM 192 O ILE A 33 -4.652 -4.003 2.772 1.00 0.00 O ATOM 193 CB ILE A 33 -6.891 -2.301 1.008 1.00 0.00 C ATOM 194 CG1 ILE A 33 -8.228 -2.597 0.319 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.734 -2.725 0.093 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.480 -1.552 -0.771 1.00 0.00 C ATOM 0 H ILE A 33 -8.257 -1.660 2.950 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.101 -4.100 2.187 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.814 -1.232 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.212 -3.596 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.037 -2.580 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.798 -2.181 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.785 -2.499 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.797 -3.796 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.430 -1.761 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.514 -0.559 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.676 -1.591 -1.505 1.00 0.00 H new ATOM 208 N GLY A 34 -5.001 -1.891 3.444 1.00 0.00 N ATOM 209 CA GLY A 34 -3.658 -1.755 3.982 1.00 0.00 C ATOM 210 C GLY A 34 -3.437 -2.721 5.137 1.00 0.00 C ATOM 211 O GLY A 34 -2.425 -3.421 5.189 1.00 0.00 O ATOM 0 H GLY A 34 -5.589 -1.064 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.926 -1.946 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.500 -0.732 4.323 1.00 0.00 H new ATOM 215 N ILE A 35 -4.383 -2.750 6.067 1.00 0.00 N ATOM 216 CA ILE A 35 -4.264 -3.632 7.218 1.00 0.00 C ATOM 217 C ILE A 35 -4.327 -5.088 6.796 1.00 0.00 C ATOM 218 O ILE A 35 -3.501 -5.889 7.209 1.00 0.00 O ATOM 219 CB ILE A 35 -5.395 -3.343 8.220 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.210 -1.937 8.828 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.399 -4.407 9.338 1.00 0.00 C ATOM 222 CD1 ILE A 35 -4.253 -1.984 10.031 1.00 0.00 C ATOM 0 H ILE A 35 -5.229 -2.181 6.048 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.298 -3.446 7.688 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.350 -3.381 7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.817 -1.258 8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.176 -1.541 9.141 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.203 -4.193 10.041 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.553 -5.394 8.901 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.444 -4.387 9.862 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.138 -0.982 10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.661 -2.646 10.795 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.281 -2.358 9.708 1.00 0.00 H new ATOM 234 N LEU A 36 -5.313 -5.425 5.980 1.00 0.00 N ATOM 235 CA LEU A 36 -5.473 -6.804 5.540 1.00 0.00 C ATOM 236 C LEU A 36 -4.236 -7.293 4.797 1.00 0.00 C ATOM 237 O LEU A 36 -3.745 -8.400 5.037 1.00 0.00 O ATOM 238 CB LEU A 36 -6.696 -6.911 4.621 1.00 0.00 C ATOM 239 CG LEU A 36 -6.853 -8.356 4.114 1.00 0.00 C ATOM 240 CD1 LEU A 36 -6.966 -9.325 5.304 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.111 -8.453 3.243 1.00 0.00 C ATOM 0 H LEU A 36 -6.007 -4.774 5.612 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.613 -7.429 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.593 -6.607 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.586 -6.231 3.776 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.978 -8.627 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.077 -10.344 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.066 -9.257 5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.835 -9.061 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.226 -9.475 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.985 -8.177 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.018 -7.776 2.393 1.00 0.00 H new ATOM 253 N HIS A 37 -3.737 -6.461 3.896 1.00 0.00 N ATOM 254 CA HIS A 37 -2.562 -6.815 3.114 1.00 0.00 C ATOM 255 C HIS A 37 -1.380 -7.090 4.032 1.00 0.00 C ATOM 256 O HIS A 37 -0.577 -7.986 3.773 1.00 0.00 O ATOM 257 CB HIS A 37 -2.215 -5.683 2.153 1.00 0.00 C ATOM 258 CG HIS A 37 -1.003 -6.068 1.352 1.00 0.00 C ATOM 259 ND1 HIS A 37 -1.044 -6.256 -0.018 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.291 -6.315 1.725 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.193 -6.604 -0.415 1.00 0.00 C ATOM 262 NE2 HIS A 37 1.046 -6.650 0.607 1.00 0.00 N ATOM 0 H HIS A 37 -4.125 -5.541 3.689 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.782 -7.716 2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.056 -5.483 1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.022 -4.765 2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.668 -6.258 2.735 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.462 -6.820 -1.438 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.039 -6.881 0.576 1.00 0.00 H new ATOM 270 N LEU A 38 -1.276 -6.316 5.104 1.00 0.00 N ATOM 271 CA LEU A 38 -0.183 -6.488 6.050 1.00 0.00 C ATOM 272 C LEU A 38 -0.221 -7.870 6.677 1.00 0.00 C ATOM 273 O LEU A 38 0.810 -8.501 6.853 1.00 0.00 O ATOM 274 CB LEU A 38 -0.254 -5.404 7.144 1.00 0.00 C ATOM 275 CG LEU A 38 0.505 -4.144 6.696 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.181 -2.987 7.650 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.033 -4.410 6.683 1.00 0.00 C ATOM 0 H LEU A 38 -1.930 -5.569 5.339 1.00 0.00 H new ATOM 0 HA LEU A 38 0.758 -6.386 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.295 -5.155 7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.174 -5.785 8.071 1.00 0.00 H new ATOM 0 HG LEU A 38 0.192 -3.880 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.718 -2.093 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.891 -2.791 7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.485 -3.254 8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.556 -3.509 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.363 -4.686 7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.255 -5.223 5.991 1.00 0.00 H new ATOM 289 N ILE A 39 -1.397 -8.340 7.012 1.00 0.00 N ATOM 290 CA ILE A 39 -1.503 -9.653 7.620 1.00 0.00 C ATOM 291 C ILE A 39 -0.938 -10.715 6.682 1.00 0.00 C ATOM 292 O ILE A 39 -0.196 -11.601 7.107 1.00 0.00 O ATOM 293 CB ILE A 39 -2.983 -9.951 7.947 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.392 -9.303 9.286 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.239 -11.463 8.007 1.00 0.00 C ATOM 296 CD1 ILE A 39 -3.580 -7.803 9.107 1.00 0.00 C ATOM 0 H ILE A 39 -2.281 -7.849 6.880 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.925 -9.671 8.544 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.588 -9.523 7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.317 -9.752 9.649 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.628 -9.494 10.039 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.288 -11.645 8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.997 -11.912 7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.614 -11.907 8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.869 -7.356 10.059 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.646 -7.357 8.765 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.361 -7.620 8.369 1.00 0.00 H new ATOM 308 N LEU A 40 -1.299 -10.629 5.416 1.00 0.00 N ATOM 309 CA LEU A 40 -0.823 -11.601 4.449 1.00 0.00 C ATOM 310 C LEU A 40 0.654 -11.398 4.145 1.00 0.00 C ATOM 311 O LEU A 40 1.424 -12.354 4.076 1.00 0.00 O ATOM 312 CB LEU A 40 -1.636 -11.478 3.162 1.00 0.00 C ATOM 313 CG LEU A 40 -3.098 -11.875 3.433 1.00 0.00 C ATOM 314 CD1 LEU A 40 -3.952 -11.503 2.217 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.213 -13.392 3.704 1.00 0.00 C ATOM 0 H LEU A 40 -1.912 -9.907 5.036 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.947 -12.597 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.590 -10.455 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.212 -12.120 2.390 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.451 -11.341 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.989 -11.782 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.890 -10.429 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.585 -12.034 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.255 -13.650 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.854 -13.945 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.611 -13.653 4.575 1.00 0.00 H new ATOM 327 N TRP A 41 1.041 -10.144 3.963 1.00 0.00 N ATOM 328 CA TRP A 41 2.429 -9.828 3.656 1.00 0.00 C ATOM 329 C TRP A 41 3.334 -10.136 4.840 1.00 0.00 C ATOM 330 O TRP A 41 4.443 -10.648 4.674 1.00 0.00 O ATOM 331 CB TRP A 41 2.551 -8.361 3.226 1.00 0.00 C ATOM 332 CG TRP A 41 3.989 -8.021 3.013 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.703 -8.327 1.901 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.872 -7.231 3.858 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.991 -7.853 2.064 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.136 -7.158 3.242 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.706 -6.594 5.102 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.195 -6.488 3.833 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.773 -5.902 5.692 1.00 0.00 C ATOM 340 CH2 TRP A 41 7.015 -5.854 5.057 1.00 0.00 C ATOM 0 H TRP A 41 0.421 -9.336 4.022 1.00 0.00 H new ATOM 0 HA TRP A 41 2.755 -10.456 2.827 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.987 -8.192 2.309 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.122 -7.711 3.988 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.328 -8.852 1.035 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.744 -8.001 1.392 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.751 -6.639 5.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.158 -6.458 3.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.634 -5.405 6.640 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.836 -5.324 5.517 1.00 0.00 H new ATOM 351 N ILE A 42 2.856 -9.830 6.031 1.00 0.00 N ATOM 352 CA ILE A 42 3.629 -10.080 7.232 1.00 0.00 C ATOM 353 C ILE A 42 3.866 -11.568 7.401 1.00 0.00 C ATOM 354 O ILE A 42 4.968 -11.997 7.737 1.00 0.00 O ATOM 355 CB ILE A 42 2.894 -9.514 8.463 1.00 0.00 C ATOM 356 CG1 ILE A 42 2.927 -7.967 8.439 1.00 0.00 C ATOM 357 CG2 ILE A 42 3.543 -10.036 9.755 1.00 0.00 C ATOM 358 CD1 ILE A 42 4.226 -7.441 9.070 1.00 0.00 C ATOM 0 H ILE A 42 1.941 -9.410 6.192 1.00 0.00 H new ATOM 0 HA ILE A 42 4.594 -9.581 7.140 1.00 0.00 H new ATOM 0 HB ILE A 42 1.856 -9.844 8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.847 -7.613 7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.068 -7.572 8.981 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.015 -9.629 10.617 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.488 -11.124 9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.587 -9.725 9.789 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.228 -6.351 9.043 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.291 -7.778 10.104 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.082 -7.820 8.511 1.00 0.00 H new ATOM 370 N LEU A 43 2.822 -12.347 7.177 1.00 0.00 N ATOM 371 CA LEU A 43 2.931 -13.786 7.324 1.00 0.00 C ATOM 372 C LEU A 43 3.940 -14.344 6.327 1.00 0.00 C ATOM 373 O LEU A 43 4.715 -15.244 6.652 1.00 0.00 O ATOM 374 CB LEU A 43 1.565 -14.447 7.108 1.00 0.00 C ATOM 375 CG LEU A 43 1.677 -15.969 7.304 1.00 0.00 C ATOM 376 CD1 LEU A 43 2.161 -16.291 8.732 1.00 0.00 C ATOM 377 CD2 LEU A 43 0.306 -16.610 7.064 1.00 0.00 C ATOM 0 H LEU A 43 1.900 -12.012 6.896 1.00 0.00 H new ATOM 0 HA LEU A 43 3.274 -14.006 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.838 -14.035 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.201 -14.228 6.104 1.00 0.00 H new ATOM 0 HG LEU A 43 2.400 -16.370 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.235 -17.371 8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.139 -15.839 8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.451 -15.891 9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.380 -17.689 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.415 -16.202 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.023 -16.396 6.047 1.00 0.00 H new ATOM 389 N ASP A 44 3.920 -13.806 5.114 1.00 0.00 N ATOM 390 CA ASP A 44 4.829 -14.265 4.073 1.00 0.00 C ATOM 391 C ASP A 44 6.267 -14.217 4.571 1.00 0.00 C ATOM 392 O ASP A 44 7.031 -15.163 4.384 1.00 0.00 O ATOM 393 CB ASP A 44 4.690 -13.380 2.835 1.00 0.00 C ATOM 394 CG ASP A 44 5.664 -13.832 1.751 1.00 0.00 C ATOM 395 OD1 ASP A 44 6.440 -14.737 2.016 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.619 -13.269 0.669 1.00 0.00 O ATOM 0 H ASP A 44 3.289 -13.057 4.829 1.00 0.00 H new ATOM 0 HA ASP A 44 4.574 -15.293 3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.668 -13.427 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.885 -12.340 3.099 1.00 0.00 H new ATOM 630 N VAL B 28 -9.276 8.592 -5.715 1.00 0.00 N ATOM 631 CA VAL B 28 -9.789 7.451 -6.458 1.00 0.00 C ATOM 632 C VAL B 28 -8.646 6.535 -6.872 1.00 0.00 C ATOM 633 O VAL B 28 -8.740 5.313 -6.747 1.00 0.00 O ATOM 634 CB VAL B 28 -10.553 7.928 -7.700 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.973 6.716 -8.537 1.00 0.00 C ATOM 636 CG2 VAL B 28 -11.802 8.701 -7.265 1.00 0.00 C ATOM 0 HA VAL B 28 -10.471 6.895 -5.815 1.00 0.00 H new ATOM 0 HB VAL B 28 -9.910 8.577 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.516 7.054 -9.420 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.086 6.162 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.616 6.068 -7.942 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.345 9.040 -8.147 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.444 8.050 -6.671 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.506 9.563 -6.667 1.00 0.00 H new ATOM 646 N ALA B 29 -7.566 7.134 -7.358 1.00 0.00 N ATOM 647 CA ALA B 29 -6.405 6.364 -7.781 1.00 0.00 C ATOM 648 C ALA B 29 -5.805 5.616 -6.597 1.00 0.00 C ATOM 649 O ALA B 29 -5.351 4.484 -6.735 1.00 0.00 O ATOM 650 CB ALA B 29 -5.354 7.290 -8.391 1.00 0.00 C ATOM 0 H ALA B 29 -7.470 8.144 -7.468 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.724 5.641 -8.531 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.490 6.704 -8.704 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.778 7.802 -9.255 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.044 8.026 -7.650 1.00 0.00 H new ATOM 656 N ALA B 30 -5.812 6.252 -5.433 1.00 0.00 N ATOM 657 CA ALA B 30 -5.262 5.632 -4.233 1.00 0.00 C ATOM 658 C ALA B 30 -5.896 4.268 -3.996 1.00 0.00 C ATOM 659 O ALA B 30 -5.200 3.283 -3.748 1.00 0.00 O ATOM 660 CB ALA B 30 -5.508 6.531 -3.023 1.00 0.00 C ATOM 0 H ALA B 30 -6.189 7.189 -5.293 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.189 5.499 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.094 6.061 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.026 7.495 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -6.580 6.679 -2.892 1.00 0.00 H new ATOM 666 N SER B 31 -7.220 4.215 -4.072 1.00 0.00 N ATOM 667 CA SER B 31 -7.932 2.957 -3.865 1.00 0.00 C ATOM 668 C SER B 31 -7.616 1.959 -4.978 1.00 0.00 C ATOM 669 O SER B 31 -7.436 0.768 -4.728 1.00 0.00 O ATOM 670 CB SER B 31 -9.436 3.213 -3.825 1.00 0.00 C ATOM 671 OG SER B 31 -9.841 3.812 -5.047 1.00 0.00 O ATOM 0 H SER B 31 -7.818 5.017 -4.273 1.00 0.00 H new ATOM 0 HA SER B 31 -7.604 2.534 -2.915 1.00 0.00 H new ATOM 0 HB2 SER B 31 -9.972 2.277 -3.670 1.00 0.00 H new ATOM 0 HB3 SER B 31 -9.684 3.865 -2.987 1.00 0.00 H new ATOM 0 HG SER B 31 -9.207 4.518 -5.291 1.00 0.00 H new ATOM 677 N ILE B 32 -7.554 2.457 -6.207 1.00 0.00 N ATOM 678 CA ILE B 32 -7.260 1.611 -7.361 1.00 0.00 C ATOM 679 C ILE B 32 -5.850 1.036 -7.264 1.00 0.00 C ATOM 680 O ILE B 32 -5.625 -0.133 -7.561 1.00 0.00 O ATOM 681 CB ILE B 32 -7.404 2.409 -8.657 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.876 2.781 -8.863 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.925 1.560 -9.841 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.993 3.789 -10.007 1.00 0.00 C ATOM 0 H ILE B 32 -7.703 3.441 -6.432 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.974 0.788 -7.368 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.801 3.315 -8.593 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.459 1.888 -9.090 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.286 3.206 -7.947 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -7.029 2.131 -10.764 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.879 1.291 -9.696 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.527 0.654 -9.906 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -10.040 4.053 -10.153 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.423 4.685 -9.762 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.599 3.348 -10.922 1.00 0.00 H new ATOM 696 N ILE B 33 -4.902 1.872 -6.858 1.00 0.00 N ATOM 697 CA ILE B 33 -3.518 1.433 -6.740 1.00 0.00 C ATOM 698 C ILE B 33 -3.404 0.275 -5.756 1.00 0.00 C ATOM 699 O ILE B 33 -2.706 -0.705 -6.019 1.00 0.00 O ATOM 700 CB ILE B 33 -2.644 2.604 -6.261 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.511 3.641 -7.383 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.252 2.098 -5.857 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.013 4.960 -6.796 1.00 0.00 C ATOM 0 H ILE B 33 -5.064 2.847 -6.607 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.175 1.095 -7.718 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.117 3.065 -5.394 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.817 3.283 -8.144 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.473 3.788 -7.873 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.644 2.937 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.349 1.372 -5.049 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.774 1.625 -6.715 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.917 5.699 -7.591 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.724 5.318 -6.051 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.042 4.805 -6.326 1.00 0.00 H new ATOM 715 N GLY B 34 -4.088 0.389 -4.627 1.00 0.00 N ATOM 716 CA GLY B 34 -4.042 -0.663 -3.626 1.00 0.00 C ATOM 717 C GLY B 34 -4.641 -1.953 -4.169 1.00 0.00 C ATOM 718 O GLY B 34 -4.050 -3.025 -4.040 1.00 0.00 O ATOM 0 H GLY B 34 -4.673 1.188 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.010 -0.836 -3.321 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.589 -0.349 -2.737 1.00 0.00 H new ATOM 722 N ILE B 35 -5.821 -1.847 -4.770 1.00 0.00 N ATOM 723 CA ILE B 35 -6.483 -3.023 -5.316 1.00 0.00 C ATOM 724 C ILE B 35 -5.690 -3.605 -6.473 1.00 0.00 C ATOM 725 O ILE B 35 -5.453 -4.804 -6.520 1.00 0.00 O ATOM 726 CB ILE B 35 -7.894 -2.649 -5.802 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.785 -2.282 -4.593 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.513 -3.826 -6.582 1.00 0.00 C ATOM 729 CD1 ILE B 35 -9.424 -3.543 -3.988 1.00 0.00 C ATOM 0 H ILE B 35 -6.332 -0.972 -4.890 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.550 -3.772 -4.527 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.826 -1.787 -6.466 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.189 -1.772 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -9.564 -1.588 -4.907 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.512 -3.552 -6.922 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.888 -4.060 -7.444 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.578 -4.699 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.047 -3.263 -3.139 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -10.038 -4.037 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.641 -4.224 -3.655 1.00 0.00 H new ATOM 741 N LEU B 36 -5.292 -2.754 -7.403 1.00 0.00 N ATOM 742 CA LEU B 36 -4.549 -3.220 -8.566 1.00 0.00 C ATOM 743 C LEU B 36 -3.251 -3.902 -8.151 1.00 0.00 C ATOM 744 O LEU B 36 -2.905 -4.973 -8.662 1.00 0.00 O ATOM 745 CB LEU B 36 -4.232 -2.033 -9.485 1.00 0.00 C ATOM 746 CG LEU B 36 -3.406 -2.503 -10.695 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.162 -3.610 -11.454 1.00 0.00 C ATOM 748 CD2 LEU B 36 -3.151 -1.316 -11.628 1.00 0.00 C ATOM 0 H LEU B 36 -5.467 -1.749 -7.379 1.00 0.00 H new ATOM 0 HA LEU B 36 -5.165 -3.946 -9.096 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.158 -1.570 -9.826 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.680 -1.273 -8.932 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.454 -2.903 -10.346 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.569 -3.936 -12.309 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.334 -4.456 -10.788 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.119 -3.223 -11.803 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.566 -1.647 -12.486 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.103 -0.912 -11.972 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.602 -0.542 -11.091 1.00 0.00 H new ATOM 760 N HIS B 37 -2.539 -3.280 -7.225 1.00 0.00 N ATOM 761 CA HIS B 37 -1.279 -3.827 -6.752 1.00 0.00 C ATOM 762 C HIS B 37 -1.495 -5.208 -6.155 1.00 0.00 C ATOM 763 O HIS B 37 -0.666 -6.102 -6.321 1.00 0.00 O ATOM 764 CB HIS B 37 -0.672 -2.899 -5.703 1.00 0.00 C ATOM 765 CG HIS B 37 0.631 -3.475 -5.228 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.842 -2.840 -5.431 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.929 -4.638 -4.566 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.802 -3.619 -4.901 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.298 -4.725 -4.358 1.00 0.00 N ATOM 0 H HIS B 37 -2.811 -2.400 -6.788 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.595 -3.912 -7.596 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.512 -1.907 -6.126 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.358 -2.781 -4.864 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.206 -5.376 -4.253 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.854 -3.377 -4.914 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.808 -5.474 -3.890 1.00 0.00 H new ATOM 777 N LEU B 38 -2.609 -5.379 -5.461 1.00 0.00 N ATOM 778 CA LEU B 38 -2.918 -6.661 -4.839 1.00 0.00 C ATOM 779 C LEU B 38 -3.037 -7.755 -5.886 1.00 0.00 C ATOM 780 O LEU B 38 -2.570 -8.865 -5.682 1.00 0.00 O ATOM 781 CB LEU B 38 -4.223 -6.556 -4.025 1.00 0.00 C ATOM 782 CG LEU B 38 -3.923 -6.087 -2.593 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.236 -5.722 -1.888 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.194 -7.205 -1.801 1.00 0.00 C ATOM 0 H LEU B 38 -3.311 -4.654 -5.314 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.101 -6.921 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.906 -5.857 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.723 -7.524 -4.000 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.276 -5.211 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -5.023 -5.389 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.733 -4.921 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.886 -6.596 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.988 -6.858 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.826 -8.092 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.256 -7.451 -2.298 1.00 0.00 H new ATOM 796 N ILE B 39 -3.654 -7.449 -7.000 1.00 0.00 N ATOM 797 CA ILE B 39 -3.807 -8.452 -8.038 1.00 0.00 C ATOM 798 C ILE B 39 -2.438 -8.942 -8.502 1.00 0.00 C ATOM 799 O ILE B 39 -2.221 -10.145 -8.658 1.00 0.00 O ATOM 800 CB ILE B 39 -4.594 -7.848 -9.221 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.113 -7.906 -8.958 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.270 -8.584 -10.528 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.510 -6.833 -7.954 1.00 0.00 C ATOM 0 H ILE B 39 -4.053 -6.535 -7.215 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.358 -9.304 -7.640 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.291 -6.805 -9.319 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.658 -7.762 -9.891 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.387 -8.890 -8.578 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -4.837 -8.140 -11.346 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.204 -8.500 -10.738 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -4.539 -9.636 -10.430 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.584 -6.882 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -5.978 -6.997 -7.017 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.253 -5.851 -8.350 1.00 0.00 H new ATOM 815 N LEU B 40 -1.528 -8.014 -8.728 1.00 0.00 N ATOM 816 CA LEU B 40 -0.200 -8.382 -9.188 1.00 0.00 C ATOM 817 C LEU B 40 0.600 -9.046 -8.076 1.00 0.00 C ATOM 818 O LEU B 40 1.275 -10.052 -8.295 1.00 0.00 O ATOM 819 CB LEU B 40 0.535 -7.135 -9.675 1.00 0.00 C ATOM 820 CG LEU B 40 -0.171 -6.573 -10.919 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.402 -5.190 -11.243 1.00 0.00 C ATOM 822 CD2 LEU B 40 0.018 -7.513 -12.132 1.00 0.00 C ATOM 0 H LEU B 40 -1.679 -7.013 -8.603 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.304 -9.094 -10.007 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.558 -6.383 -8.886 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.570 -7.380 -9.912 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.238 -6.494 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.096 -4.787 -12.125 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.239 -4.522 -10.398 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.471 -5.276 -11.437 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.491 -7.094 -13.000 1.00 0.00 H new ATOM 0 HD22 LEU B 40 1.081 -7.617 -12.350 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -0.403 -8.492 -11.903 1.00 0.00 H new ATOM 834 N TRP B 41 0.524 -8.472 -6.883 1.00 0.00 N ATOM 835 CA TRP B 41 1.256 -9.011 -5.746 1.00 0.00 C ATOM 836 C TRP B 41 0.708 -10.375 -5.342 1.00 0.00 C ATOM 837 O TRP B 41 1.464 -11.292 -5.010 1.00 0.00 O ATOM 838 CB TRP B 41 1.206 -8.023 -4.574 1.00 0.00 C ATOM 839 CG TRP B 41 1.867 -8.629 -3.380 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.207 -8.683 -3.180 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.255 -9.172 -2.177 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.447 -9.312 -1.973 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.277 -9.615 -1.315 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.078 -9.346 -1.761 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.996 -10.209 -0.097 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.364 -9.932 -0.520 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.673 -10.365 0.307 1.00 0.00 C ATOM 0 H TRP B 41 -0.031 -7.641 -6.679 1.00 0.00 H new ATOM 0 HA TRP B 41 2.298 -9.150 -6.035 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.706 -7.094 -4.847 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.171 -7.771 -4.341 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.961 -8.299 -3.851 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.378 -9.526 -1.614 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.886 -9.026 -2.402 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.800 -10.550 0.538 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.390 -10.049 -0.203 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.449 -10.821 1.260 1.00 0.00 H new ATOM 858 N ILE B 42 -0.606 -10.508 -5.380 1.00 0.00 N ATOM 859 CA ILE B 42 -1.241 -11.763 -5.019 1.00 0.00 C ATOM 860 C ILE B 42 -0.825 -12.856 -5.982 1.00 0.00 C ATOM 861 O ILE B 42 -0.526 -13.977 -5.573 1.00 0.00 O ATOM 862 CB ILE B 42 -2.775 -11.602 -5.028 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.225 -10.716 -3.842 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.452 -12.979 -4.945 1.00 0.00 C ATOM 865 CD1 ILE B 42 -3.407 -11.558 -2.570 1.00 0.00 C ATOM 0 H ILE B 42 -1.251 -9.767 -5.655 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.922 -12.042 -4.015 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.072 -11.120 -5.959 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.485 -9.936 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.162 -10.217 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.535 -12.853 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.151 -13.584 -5.800 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.151 -13.478 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.723 -10.914 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.165 -12.322 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.462 -12.036 -2.312 1.00 0.00 H new ATOM 877 N LEU B 43 -0.815 -12.527 -7.261 1.00 0.00 N ATOM 878 CA LEU B 43 -0.447 -13.499 -8.272 1.00 0.00 C ATOM 879 C LEU B 43 0.995 -13.951 -8.069 1.00 0.00 C ATOM 880 O LEU B 43 1.316 -15.127 -8.236 1.00 0.00 O ATOM 881 CB LEU B 43 -0.615 -12.900 -9.673 1.00 0.00 C ATOM 882 CG LEU B 43 -0.263 -13.949 -10.741 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.187 -15.177 -10.611 1.00 0.00 C ATOM 884 CD2 LEU B 43 -0.423 -13.324 -12.133 1.00 0.00 C ATOM 0 H LEU B 43 -1.055 -11.603 -7.621 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.105 -14.363 -8.178 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -1.641 -12.559 -9.811 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.028 -12.027 -9.783 1.00 0.00 H new ATOM 0 HG LEU B 43 0.768 -14.273 -10.599 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.926 -15.911 -11.373 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.065 -15.621 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -2.224 -14.868 -10.745 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.175 -14.063 -12.895 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.454 -12.996 -12.268 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.245 -12.468 -12.227 1.00 0.00 H new ATOM 896 N ASP B 44 1.859 -13.006 -7.716 1.00 0.00 N ATOM 897 CA ASP B 44 3.265 -13.314 -7.505 1.00 0.00 C ATOM 898 C ASP B 44 3.410 -14.457 -6.511 1.00 0.00 C ATOM 899 O ASP B 44 4.183 -15.389 -6.730 1.00 0.00 O ATOM 900 CB ASP B 44 3.993 -12.078 -6.972 1.00 0.00 C ATOM 901 CG ASP B 44 5.465 -12.398 -6.732 1.00 0.00 C ATOM 902 OD1 ASP B 44 5.836 -13.550 -6.890 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.201 -11.486 -6.395 1.00 0.00 O ATOM 0 H ASP B 44 1.611 -12.027 -7.571 1.00 0.00 H new ATOM 0 HA ASP B 44 3.705 -13.612 -8.457 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.903 -11.258 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.529 -11.746 -6.043 1.00 0.00 H new ATOM 1137 N VAL C 28 -2.283 13.755 -0.390 1.00 0.00 N ATOM 1138 CA VAL C 28 -1.441 13.819 -1.574 1.00 0.00 C ATOM 1139 C VAL C 28 -0.300 12.817 -1.463 1.00 0.00 C ATOM 1140 O VAL C 28 0.002 12.098 -2.417 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.876 15.234 -1.744 1.00 0.00 C ATOM 1142 CG1 VAL C 28 0.112 15.253 -2.913 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -2.020 16.211 -2.030 1.00 0.00 C ATOM 0 HA VAL C 28 -2.046 13.571 -2.446 1.00 0.00 H new ATOM 0 HB VAL C 28 -0.364 15.531 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL C 28 0.514 16.259 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL C 28 0.928 14.559 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL C 28 -0.401 14.955 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -1.618 17.217 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -2.533 15.913 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -2.725 16.199 -1.199 1.00 0.00 H new ATOM 1153 N ALA C 29 0.325 12.773 -0.293 1.00 0.00 N ATOM 1154 CA ALA C 29 1.428 11.852 -0.065 1.00 0.00 C ATOM 1155 C ALA C 29 0.952 10.411 -0.203 1.00 0.00 C ATOM 1156 O ALA C 29 1.666 9.562 -0.724 1.00 0.00 O ATOM 1157 CB ALA C 29 2.011 12.067 1.333 1.00 0.00 C ATOM 0 H ALA C 29 0.088 13.360 0.507 1.00 0.00 H new ATOM 0 HA ALA C 29 2.199 12.045 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.836 11.373 1.494 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.375 13.090 1.422 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.238 11.891 2.081 1.00 0.00 H new ATOM 1163 N ALA C 30 -0.264 10.145 0.261 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.816 8.798 0.181 1.00 0.00 C ATOM 1165 C ALA C 30 -0.763 8.280 -1.251 1.00 0.00 C ATOM 1166 O ALA C 30 -0.320 7.158 -1.497 1.00 0.00 O ATOM 1167 CB ALA C 30 -2.262 8.804 0.670 1.00 0.00 C ATOM 0 H ALA C 30 -0.880 10.835 0.691 1.00 0.00 H new ATOM 0 HA ALA C 30 -0.219 8.140 0.813 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.671 7.796 0.609 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -2.295 9.147 1.704 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.854 9.474 0.047 1.00 0.00 H new ATOM 1173 N SER C 31 -1.215 9.099 -2.192 1.00 0.00 N ATOM 1174 CA SER C 31 -1.210 8.702 -3.596 1.00 0.00 C ATOM 1175 C SER C 31 0.220 8.543 -4.113 1.00 0.00 C ATOM 1176 O SER C 31 0.522 7.615 -4.862 1.00 0.00 O ATOM 1177 CB SER C 31 -1.939 9.751 -4.433 1.00 0.00 C ATOM 1178 OG SER C 31 -1.296 11.008 -4.272 1.00 0.00 O ATOM 0 H SER C 31 -1.586 10.032 -2.013 1.00 0.00 H new ATOM 0 HA SER C 31 -1.720 7.743 -3.681 1.00 0.00 H new ATOM 0 HB2 SER C 31 -1.937 9.460 -5.484 1.00 0.00 H new ATOM 0 HB3 SER C 31 -2.982 9.820 -4.123 1.00 0.00 H new ATOM 0 HG SER C 31 -0.850 11.038 -3.400 1.00 0.00 H new ATOM 1184 N ILE C 32 1.092 9.458 -3.705 1.00 0.00 N ATOM 1185 CA ILE C 32 2.490 9.420 -4.124 1.00 0.00 C ATOM 1186 C ILE C 32 3.183 8.175 -3.580 1.00 0.00 C ATOM 1187 O ILE C 32 3.955 7.527 -4.283 1.00 0.00 O ATOM 1188 CB ILE C 32 3.224 10.674 -3.641 1.00 0.00 C ATOM 1189 CG1 ILE C 32 2.673 11.896 -4.377 1.00 0.00 C ATOM 1190 CG2 ILE C 32 4.723 10.536 -3.936 1.00 0.00 C ATOM 1191 CD1 ILE C 32 3.203 13.170 -3.718 1.00 0.00 C ATOM 0 H ILE C 32 0.857 10.234 -3.086 1.00 0.00 H new ATOM 0 HA ILE C 32 2.517 9.387 -5.213 1.00 0.00 H new ATOM 0 HB ILE C 32 3.075 10.793 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE C 32 2.969 11.866 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE C 32 1.583 11.888 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.245 11.429 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.117 9.662 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE C 32 4.873 10.419 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE C 32 2.810 14.041 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE C 32 2.885 13.200 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE C 32 4.292 13.178 -3.765 1.00 0.00 H new ATOM 1203 N ILE C 33 2.910 7.853 -2.322 1.00 0.00 N ATOM 1204 CA ILE C 33 3.523 6.689 -1.695 1.00 0.00 C ATOM 1205 C ILE C 33 3.170 5.420 -2.463 1.00 0.00 C ATOM 1206 O ILE C 33 4.031 4.572 -2.703 1.00 0.00 O ATOM 1207 CB ILE C 33 3.036 6.565 -0.242 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.651 7.686 0.606 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.440 5.202 0.339 1.00 0.00 C ATOM 1210 CD1 ILE C 33 2.879 7.810 1.920 1.00 0.00 C ATOM 0 H ILE C 33 2.274 8.376 -1.720 1.00 0.00 H new ATOM 0 HA ILE C 33 4.605 6.817 -1.707 1.00 0.00 H new ATOM 0 HB ILE C 33 1.949 6.649 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.701 7.471 0.807 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.617 8.629 0.061 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.089 5.127 1.368 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.993 4.406 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.525 5.105 0.318 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.314 8.606 2.524 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.836 8.044 1.708 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.936 6.868 2.466 1.00 0.00 H new ATOM 1222 N GLY C 34 1.910 5.292 -2.845 1.00 0.00 N ATOM 1223 CA GLY C 34 1.476 4.118 -3.583 1.00 0.00 C ATOM 1224 C GLY C 34 2.172 4.037 -4.933 1.00 0.00 C ATOM 1225 O GLY C 34 2.696 2.990 -5.311 1.00 0.00 O ATOM 0 H GLY C 34 1.178 5.977 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.691 3.220 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.396 4.153 -3.728 1.00 0.00 H new ATOM 1229 N ILE C 35 2.172 5.148 -5.661 1.00 0.00 N ATOM 1230 CA ILE C 35 2.803 5.176 -6.973 1.00 0.00 C ATOM 1231 C ILE C 35 4.303 4.983 -6.857 1.00 0.00 C ATOM 1232 O ILE C 35 4.881 4.175 -7.570 1.00 0.00 O ATOM 1233 CB ILE C 35 2.517 6.519 -7.665 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.014 6.628 -7.997 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.353 6.641 -8.955 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.701 5.956 -9.346 1.00 0.00 C ATOM 0 H ILE C 35 1.748 6.029 -5.370 1.00 0.00 H new ATOM 0 HA ILE C 35 2.388 4.360 -7.565 1.00 0.00 H new ATOM 0 HB ILE C 35 2.793 7.330 -6.991 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.428 6.158 -7.207 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.720 7.677 -8.031 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.142 7.596 -9.436 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.413 6.585 -8.708 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.095 5.828 -9.634 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.364 6.046 -9.559 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.271 6.444 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE C 35 0.974 4.902 -9.299 1.00 0.00 H new ATOM 1248 N LEU C 36 4.928 5.731 -5.964 1.00 0.00 N ATOM 1249 CA LEU C 36 6.372 5.639 -5.799 1.00 0.00 C ATOM 1250 C LEU C 36 6.793 4.225 -5.416 1.00 0.00 C ATOM 1251 O LEU C 36 7.755 3.679 -5.962 1.00 0.00 O ATOM 1252 CB LEU C 36 6.829 6.620 -4.711 1.00 0.00 C ATOM 1253 CG LEU C 36 8.348 6.501 -4.495 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.093 6.748 -5.819 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.793 7.533 -3.451 1.00 0.00 C ATOM 0 H LEU C 36 4.467 6.401 -5.348 1.00 0.00 H new ATOM 0 HA LEU C 36 6.841 5.892 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.574 7.640 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.304 6.412 -3.779 1.00 0.00 H new ATOM 0 HG LEU C 36 8.583 5.497 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.167 6.661 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU C 36 8.778 6.010 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.862 7.748 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU C 36 9.869 7.452 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.552 8.535 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.275 7.346 -2.510 1.00 0.00 H new ATOM 1267 N HIS C 37 6.068 3.641 -4.473 1.00 0.00 N ATOM 1268 CA HIS C 37 6.374 2.295 -4.014 1.00 0.00 C ATOM 1269 C HIS C 37 6.296 1.310 -5.173 1.00 0.00 C ATOM 1270 O HIS C 37 7.092 0.376 -5.259 1.00 0.00 O ATOM 1271 CB HIS C 37 5.394 1.884 -2.920 1.00 0.00 C ATOM 1272 CG HIS C 37 5.729 0.494 -2.455 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.168 0.226 -1.170 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.707 -0.711 -3.101 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.390 -1.099 -1.087 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.121 -1.718 -2.237 1.00 0.00 N ATOM 0 H HIS C 37 5.268 4.076 -4.013 1.00 0.00 H new ATOM 0 HA HIS C 37 7.387 2.285 -3.612 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.448 2.583 -2.085 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.372 1.918 -3.298 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.412 -0.858 -4.129 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.743 -1.600 -0.198 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.202 -2.715 -2.439 1.00 0.00 H new ATOM 1284 N LEU C 38 5.332 1.521 -6.059 1.00 0.00 N ATOM 1285 CA LEU C 38 5.161 0.638 -7.205 1.00 0.00 C ATOM 1286 C LEU C 38 6.398 0.654 -8.088 1.00 0.00 C ATOM 1287 O LEU C 38 6.823 -0.379 -8.579 1.00 0.00 O ATOM 1288 CB LEU C 38 3.921 1.060 -8.018 1.00 0.00 C ATOM 1289 CG LEU C 38 2.662 0.372 -7.464 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.414 1.019 -8.078 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.691 -1.145 -7.790 1.00 0.00 C ATOM 0 H LEU C 38 4.662 2.288 -6.008 1.00 0.00 H new ATOM 0 HA LEU C 38 5.016 -0.378 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.801 2.143 -7.976 1.00 0.00 H new ATOM 0 HB3 LEU C 38 4.057 0.795 -9.066 1.00 0.00 H new ATOM 0 HG LEU C 38 2.636 0.493 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.521 0.532 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.391 2.079 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.442 0.907 -9.162 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.794 -1.620 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.727 -1.284 -8.870 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.573 -1.598 -7.337 1.00 0.00 H new ATOM 1303 N ILE C 39 6.973 1.814 -8.289 1.00 0.00 N ATOM 1304 CA ILE C 39 8.154 1.899 -9.126 1.00 0.00 C ATOM 1305 C ILE C 39 9.269 1.031 -8.551 1.00 0.00 C ATOM 1306 O ILE C 39 9.938 0.298 -9.281 1.00 0.00 O ATOM 1307 CB ILE C 39 8.610 3.371 -9.224 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.802 4.127 -10.299 1.00 0.00 C ATOM 1309 CG2 ILE C 39 10.109 3.460 -9.546 1.00 0.00 C ATOM 1310 CD1 ILE C 39 6.408 4.446 -9.780 1.00 0.00 C ATOM 0 H ILE C 39 6.654 2.699 -7.895 1.00 0.00 H new ATOM 0 HA ILE C 39 7.916 1.534 -10.125 1.00 0.00 H new ATOM 0 HB ILE C 39 8.430 3.837 -8.255 1.00 0.00 H new ATOM 0 HG12 ILE C 39 8.317 5.049 -10.570 1.00 0.00 H new ATOM 0 HG13 ILE C 39 7.732 3.523 -11.204 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.406 4.507 -9.610 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.680 2.968 -8.759 1.00 0.00 H new ATOM 0 HG23 ILE C 39 10.306 2.968 -10.499 1.00 0.00 H new ATOM 0 HD11 ILE C 39 5.847 4.980 -10.547 1.00 0.00 H new ATOM 0 HD12 ILE C 39 5.891 3.519 -9.532 1.00 0.00 H new ATOM 0 HD13 ILE C 39 6.485 5.068 -8.888 1.00 0.00 H new ATOM 1322 N LEU C 40 9.474 1.124 -7.251 1.00 0.00 N ATOM 1323 CA LEU C 40 10.523 0.347 -6.614 1.00 0.00 C ATOM 1324 C LEU C 40 10.152 -1.127 -6.554 1.00 0.00 C ATOM 1325 O LEU C 40 10.977 -1.999 -6.828 1.00 0.00 O ATOM 1326 CB LEU C 40 10.764 0.878 -5.203 1.00 0.00 C ATOM 1327 CG LEU C 40 11.324 2.309 -5.277 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.315 2.926 -3.875 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.764 2.306 -5.835 1.00 0.00 C ATOM 0 H LEU C 40 8.937 1.721 -6.622 1.00 0.00 H new ATOM 0 HA LEU C 40 11.433 0.444 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU C 40 9.833 0.870 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.463 0.230 -4.675 1.00 0.00 H new ATOM 0 HG LEU C 40 10.698 2.898 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.711 3.940 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.294 2.952 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU C 40 11.934 2.325 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU C 40 13.140 3.328 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.405 1.711 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.765 1.876 -6.837 1.00 0.00 H new ATOM 1341 N TRP C 41 8.908 -1.399 -6.187 1.00 0.00 N ATOM 1342 CA TRP C 41 8.445 -2.775 -6.083 1.00 0.00 C ATOM 1343 C TRP C 41 8.393 -3.440 -7.451 1.00 0.00 C ATOM 1344 O TRP C 41 8.753 -4.609 -7.604 1.00 0.00 O ATOM 1345 CB TRP C 41 7.079 -2.819 -5.388 1.00 0.00 C ATOM 1346 CG TRP C 41 6.568 -4.222 -5.377 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.958 -5.184 -4.505 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.511 -4.811 -6.187 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.271 -6.347 -4.796 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.359 -6.161 -5.811 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.692 -4.318 -7.217 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.437 -6.991 -6.433 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.749 -5.151 -7.836 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.627 -6.484 -7.443 1.00 0.00 C ATOM 0 H TRP C 41 8.208 -0.693 -5.958 1.00 0.00 H new ATOM 0 HA TRP C 41 9.156 -3.337 -5.477 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.166 -2.445 -4.368 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.375 -2.169 -5.907 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.684 -5.062 -3.715 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.421 -7.235 -4.317 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.790 -3.290 -7.534 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.349 -8.025 -6.134 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.116 -4.760 -8.619 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.902 -7.123 -7.924 1.00 0.00 H new ATOM 1365 N ILE C 42 7.952 -2.690 -8.442 1.00 0.00 N ATOM 1366 CA ILE C 42 7.858 -3.215 -9.791 1.00 0.00 C ATOM 1367 C ILE C 42 9.236 -3.576 -10.309 1.00 0.00 C ATOM 1368 O ILE C 42 9.425 -4.626 -10.922 1.00 0.00 O ATOM 1369 CB ILE C 42 7.198 -2.177 -10.720 1.00 0.00 C ATOM 1370 CG1 ILE C 42 5.694 -2.036 -10.377 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.369 -2.596 -12.188 1.00 0.00 C ATOM 1372 CD1 ILE C 42 4.866 -3.101 -11.114 1.00 0.00 C ATOM 0 H ILE C 42 7.654 -1.720 -8.340 1.00 0.00 H new ATOM 0 HA ILE C 42 7.242 -4.114 -9.775 1.00 0.00 H new ATOM 0 HB ILE C 42 7.684 -1.213 -10.572 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.550 -2.137 -9.301 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.345 -1.041 -10.653 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.899 -1.855 -12.835 1.00 0.00 H new ATOM 0 HG22 ILE C 42 8.431 -2.664 -12.426 1.00 0.00 H new ATOM 0 HG23 ILE C 42 6.899 -3.567 -12.346 1.00 0.00 H new ATOM 0 HD11 ILE C 42 3.813 -2.984 -10.859 1.00 0.00 H new ATOM 0 HD12 ILE C 42 4.994 -2.981 -12.190 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.203 -4.094 -10.817 1.00 0.00 H new ATOM 1384 N LEU C 43 10.194 -2.698 -10.064 1.00 0.00 N ATOM 1385 CA LEU C 43 11.548 -2.936 -10.526 1.00 0.00 C ATOM 1386 C LEU C 43 12.117 -4.189 -9.872 1.00 0.00 C ATOM 1387 O LEU C 43 12.811 -4.976 -10.516 1.00 0.00 O ATOM 1388 CB LEU C 43 12.438 -1.730 -10.202 1.00 0.00 C ATOM 1389 CG LEU C 43 13.865 -1.970 -10.728 1.00 0.00 C ATOM 1390 CD1 LEU C 43 13.844 -2.178 -12.255 1.00 0.00 C ATOM 1391 CD2 LEU C 43 14.739 -0.760 -10.379 1.00 0.00 C ATOM 0 H LEU C 43 10.061 -1.825 -9.554 1.00 0.00 H new ATOM 0 HA LEU C 43 11.525 -3.080 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU C 43 12.022 -0.829 -10.654 1.00 0.00 H new ATOM 0 HB3 LEU C 43 12.462 -1.565 -9.125 1.00 0.00 H new ATOM 0 HG LEU C 43 14.275 -2.866 -10.262 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.860 -2.347 -12.613 1.00 0.00 H new ATOM 0 HD12 LEU C 43 13.226 -3.043 -12.496 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.432 -1.292 -12.737 1.00 0.00 H new ATOM 0 HD21 LEU C 43 15.751 -0.924 -10.749 1.00 0.00 H new ATOM 0 HD22 LEU C 43 14.323 0.135 -10.843 1.00 0.00 H new ATOM 0 HD23 LEU C 43 14.765 -0.630 -9.297 1.00 0.00 H new ATOM 1403 N ASP C 44 11.821 -4.365 -8.590 1.00 0.00 N ATOM 1404 CA ASP C 44 12.317 -5.519 -7.856 1.00 0.00 C ATOM 1405 C ASP C 44 11.961 -6.804 -8.590 1.00 0.00 C ATOM 1406 O ASP C 44 12.800 -7.690 -8.751 1.00 0.00 O ATOM 1407 CB ASP C 44 11.702 -5.547 -6.455 1.00 0.00 C ATOM 1408 CG ASP C 44 12.203 -6.766 -5.687 1.00 0.00 C ATOM 1409 OD1 ASP C 44 12.919 -7.560 -6.274 1.00 0.00 O ATOM 1410 OD2 ASP C 44 11.863 -6.886 -4.522 1.00 0.00 O ATOM 0 H ASP C 44 11.244 -3.727 -8.042 1.00 0.00 H new ATOM 0 HA ASP C 44 13.401 -5.442 -7.777 1.00 0.00 H new ATOM 0 HB2 ASP C 44 11.963 -4.636 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP C 44 10.615 -5.574 -6.527 1.00 0.00 H new ATOM 1628 N VAL D 27 -8.342 7.585 8.148 1.00 0.00 N ATOM 1629 CA VAL D 27 -7.536 8.234 7.123 1.00 0.00 C ATOM 1630 C VAL D 27 -6.089 8.397 7.601 1.00 0.00 C ATOM 1631 O VAL D 27 -5.137 8.169 6.846 1.00 0.00 O ATOM 1632 CB VAL D 27 -8.138 9.606 6.790 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -9.658 9.474 6.640 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -7.823 10.607 7.911 1.00 0.00 C ATOM 0 HA VAL D 27 -7.534 7.612 6.228 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.705 9.967 5.857 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -10.086 10.448 6.404 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -9.885 8.773 5.837 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -10.085 9.107 7.573 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -8.255 11.577 7.665 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.248 10.249 8.849 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -6.743 10.707 8.017 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.937 8.795 8.861 1.00 0.00 N ATOM 1645 CA VAL D 28 -4.614 8.996 9.433 1.00 0.00 C ATOM 1646 C VAL D 28 -3.835 7.689 9.430 1.00 0.00 C ATOM 1647 O VAL D 28 -2.660 7.656 9.061 1.00 0.00 O ATOM 1648 CB VAL D 28 -4.735 9.526 10.866 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -3.344 9.612 11.500 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -5.372 10.920 10.846 1.00 0.00 C ATOM 0 H VAL D 28 -6.710 8.983 9.500 1.00 0.00 H new ATOM 0 HA VAL D 28 -4.079 9.727 8.827 1.00 0.00 H new ATOM 0 HB VAL D 28 -5.359 8.849 11.449 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -3.431 9.989 12.519 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.890 8.621 11.517 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -2.719 10.287 10.916 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -5.457 11.296 11.866 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -4.749 11.596 10.261 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.363 10.861 10.397 1.00 0.00 H new ATOM 1660 N ALA D 29 -4.498 6.614 9.836 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.861 5.306 9.870 1.00 0.00 C ATOM 1662 C ALA D 29 -3.434 4.887 8.469 1.00 0.00 C ATOM 1663 O ALA D 29 -2.380 4.287 8.287 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.825 4.267 10.444 1.00 0.00 C ATOM 0 H ALA D 29 -5.470 6.622 10.144 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.978 5.368 10.506 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.339 3.292 10.465 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -5.108 4.553 11.457 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.717 4.214 9.820 1.00 0.00 H new ATOM 1670 N ALA D 30 -4.257 5.214 7.480 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.948 4.860 6.100 1.00 0.00 C ATOM 1672 C ALA D 30 -2.562 5.365 5.713 1.00 0.00 C ATOM 1673 O ALA D 30 -1.754 4.619 5.159 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.991 5.467 5.162 1.00 0.00 C ATOM 0 H ALA D 30 -5.135 5.718 7.605 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.964 3.774 6.011 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.754 5.199 4.132 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.978 5.084 5.419 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.985 6.552 5.265 1.00 0.00 H new ATOM 1680 N SER D 31 -2.294 6.630 6.008 1.00 0.00 N ATOM 1681 CA SER D 31 -0.995 7.215 5.685 1.00 0.00 C ATOM 1682 C SER D 31 0.121 6.553 6.493 1.00 0.00 C ATOM 1683 O SER D 31 1.205 6.287 5.974 1.00 0.00 O ATOM 1684 CB SER D 31 -1.015 8.712 5.977 1.00 0.00 C ATOM 1685 OG SER D 31 -1.339 8.916 7.346 1.00 0.00 O ATOM 0 H SER D 31 -2.948 7.266 6.465 1.00 0.00 H new ATOM 0 HA SER D 31 -0.801 7.049 4.625 1.00 0.00 H new ATOM 0 HB2 SER D 31 -0.044 9.152 5.751 1.00 0.00 H new ATOM 0 HB3 SER D 31 -1.746 9.209 5.340 1.00 0.00 H new ATOM 0 HG SER D 31 -1.866 8.158 7.674 1.00 0.00 H new ATOM 1691 N ILE D 32 -0.156 6.294 7.765 1.00 0.00 N ATOM 1692 CA ILE D 32 0.825 5.664 8.646 1.00 0.00 C ATOM 1693 C ILE D 32 1.141 4.248 8.175 1.00 0.00 C ATOM 1694 O ILE D 32 2.296 3.827 8.178 1.00 0.00 O ATOM 1695 CB ILE D 32 0.298 5.625 10.082 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.207 7.053 10.626 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.259 4.810 10.957 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.561 7.048 11.948 1.00 0.00 C ATOM 0 H ILE D 32 -1.048 6.509 8.210 1.00 0.00 H new ATOM 0 HA ILE D 32 1.740 6.255 8.616 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.689 5.163 10.096 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.207 7.461 10.776 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -0.295 7.697 9.904 1.00 0.00 H new ATOM 0 HG21 ILE D 32 0.884 4.782 11.980 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.332 3.794 10.569 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.245 5.274 10.944 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.626 8.065 12.335 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.565 6.658 11.784 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -0.040 6.418 12.669 1.00 0.00 H new ATOM 1710 N ILE D 33 0.110 3.514 7.780 1.00 0.00 N ATOM 1711 CA ILE D 33 0.295 2.145 7.319 1.00 0.00 C ATOM 1712 C ILE D 33 1.225 2.106 6.113 1.00 0.00 C ATOM 1713 O ILE D 33 2.114 1.255 6.032 1.00 0.00 O ATOM 1714 CB ILE D 33 -1.065 1.536 6.942 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.892 1.291 8.210 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.863 0.210 6.194 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -3.356 1.075 7.826 1.00 0.00 C ATOM 0 H ILE D 33 -0.856 3.840 7.769 1.00 0.00 H new ATOM 0 HA ILE D 33 0.744 1.565 8.125 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.595 2.232 6.292 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.512 0.420 8.743 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.803 2.142 8.886 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.833 -0.212 5.932 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.288 0.389 5.285 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.324 -0.490 6.833 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.946 0.901 8.726 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.732 1.960 7.311 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -3.436 0.211 7.167 1.00 0.00 H new ATOM 1729 N GLY D 34 1.021 3.022 5.180 1.00 0.00 N ATOM 1730 CA GLY D 34 1.855 3.066 3.991 1.00 0.00 C ATOM 1731 C GLY D 34 3.299 3.382 4.354 1.00 0.00 C ATOM 1732 O GLY D 34 4.226 2.720 3.887 1.00 0.00 O ATOM 0 H GLY D 34 0.294 3.737 5.222 1.00 0.00 H new ATOM 0 HA2 GLY D 34 1.807 2.109 3.472 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.475 3.821 3.303 1.00 0.00 H new ATOM 1736 N ILE D 35 3.488 4.404 5.182 1.00 0.00 N ATOM 1737 CA ILE D 35 4.832 4.794 5.585 1.00 0.00 C ATOM 1738 C ILE D 35 5.482 3.713 6.429 1.00 0.00 C ATOM 1739 O ILE D 35 6.618 3.333 6.184 1.00 0.00 O ATOM 1740 CB ILE D 35 4.777 6.104 6.385 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.351 7.267 5.460 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.156 6.402 7.010 1.00 0.00 C ATOM 1743 CD1 ILE D 35 5.573 7.861 4.739 1.00 0.00 C ATOM 0 H ILE D 35 2.739 4.969 5.582 1.00 0.00 H new ATOM 0 HA ILE D 35 5.429 4.937 4.684 1.00 0.00 H new ATOM 0 HB ILE D 35 4.044 6.000 7.185 1.00 0.00 H new ATOM 0 HG12 ILE D 35 3.628 6.910 4.727 1.00 0.00 H new ATOM 0 HG13 ILE D 35 3.855 8.042 6.045 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.106 7.333 7.575 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.437 5.587 7.677 1.00 0.00 H new ATOM 0 HG23 ILE D 35 6.901 6.497 6.220 1.00 0.00 H new ATOM 0 HD11 ILE D 35 5.252 8.678 4.093 1.00 0.00 H new ATOM 0 HD12 ILE D 35 6.282 8.238 5.476 1.00 0.00 H new ATOM 0 HD13 ILE D 35 6.051 7.088 4.137 1.00 0.00 H new ATOM 1755 N LEU D 36 4.758 3.227 7.424 1.00 0.00 N ATOM 1756 CA LEU D 36 5.303 2.206 8.309 1.00 0.00 C ATOM 1757 C LEU D 36 5.688 0.953 7.531 1.00 0.00 C ATOM 1758 O LEU D 36 6.763 0.382 7.738 1.00 0.00 O ATOM 1759 CB LEU D 36 4.262 1.845 9.379 1.00 0.00 C ATOM 1760 CG LEU D 36 4.803 0.725 10.286 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.132 1.163 10.929 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.774 0.418 11.379 1.00 0.00 C ATOM 0 H LEU D 36 3.804 3.517 7.639 1.00 0.00 H new ATOM 0 HA LEU D 36 6.200 2.606 8.782 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.023 2.725 9.977 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.336 1.523 8.903 1.00 0.00 H new ATOM 0 HG LEU D 36 4.979 -0.170 9.689 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.507 0.364 11.569 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.862 1.375 10.148 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.969 2.060 11.526 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.153 -0.375 12.024 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.596 1.314 11.973 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.840 0.096 10.919 1.00 0.00 H new ATOM 1774 N HIS D 37 4.808 0.534 6.637 1.00 0.00 N ATOM 1775 CA HIS D 37 5.056 -0.653 5.835 1.00 0.00 C ATOM 1776 C HIS D 37 6.328 -0.481 5.018 1.00 0.00 C ATOM 1777 O HIS D 37 7.095 -1.428 4.839 1.00 0.00 O ATOM 1778 CB HIS D 37 3.875 -0.912 4.906 1.00 0.00 C ATOM 1779 CG HIS D 37 4.146 -2.145 4.092 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.378 -3.289 4.201 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.108 -2.429 3.160 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.890 -4.200 3.353 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.943 -3.725 2.692 1.00 0.00 N ATOM 0 H HIS D 37 3.918 0.996 6.448 1.00 0.00 H new ATOM 0 HA HIS D 37 5.179 -1.506 6.503 1.00 0.00 H new ATOM 0 HB2 HIS D 37 2.961 -1.039 5.487 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.719 -0.056 4.250 1.00 0.00 H new ATOM 0 HD2 HIS D 37 5.880 -1.746 2.837 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.494 -5.197 3.224 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.507 -4.209 1.993 1.00 0.00 H new ATOM 1791 N LEU D 38 6.547 0.727 4.523 1.00 0.00 N ATOM 1792 CA LEU D 38 7.731 1.007 3.720 1.00 0.00 C ATOM 1793 C LEU D 38 8.997 0.772 4.525 1.00 0.00 C ATOM 1794 O LEU D 38 9.969 0.234 4.015 1.00 0.00 O ATOM 1795 CB LEU D 38 7.689 2.457 3.200 1.00 0.00 C ATOM 1796 CG LEU D 38 6.934 2.524 1.864 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.660 3.990 1.503 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.765 1.850 0.740 1.00 0.00 C ATOM 0 H LEU D 38 5.927 1.525 4.661 1.00 0.00 H new ATOM 0 HA LEU D 38 7.738 0.327 2.868 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.201 3.099 3.933 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.704 2.834 3.071 1.00 0.00 H new ATOM 0 HG LEU D 38 5.988 1.992 1.964 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.124 4.037 0.555 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.056 4.450 2.285 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.605 4.525 1.413 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.217 1.905 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.720 2.365 0.635 1.00 0.00 H new ATOM 0 HD23 LEU D 38 7.943 0.805 0.995 1.00 0.00 H new ATOM 1810 N ILE D 39 8.992 1.169 5.773 1.00 0.00 N ATOM 1811 CA ILE D 39 10.171 0.979 6.598 1.00 0.00 C ATOM 1812 C ILE D 39 10.515 -0.505 6.690 1.00 0.00 C ATOM 1813 O ILE D 39 11.679 -0.889 6.563 1.00 0.00 O ATOM 1814 CB ILE D 39 9.915 1.567 8.002 1.00 0.00 C ATOM 1815 CG1 ILE D 39 10.168 3.089 8.016 1.00 0.00 C ATOM 1816 CG2 ILE D 39 10.810 0.889 9.051 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.013 3.817 7.340 1.00 0.00 C ATOM 0 H ILE D 39 8.203 1.618 6.238 1.00 0.00 H new ATOM 0 HA ILE D 39 11.017 1.497 6.147 1.00 0.00 H new ATOM 0 HB ILE D 39 8.871 1.379 8.251 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.277 3.438 9.043 1.00 0.00 H new ATOM 0 HG13 ILE D 39 11.102 3.315 7.501 1.00 0.00 H new ATOM 0 HG21 ILE D 39 10.611 1.320 10.032 1.00 0.00 H new ATOM 0 HG22 ILE D 39 10.597 -0.180 9.075 1.00 0.00 H new ATOM 0 HG23 ILE D 39 11.857 1.045 8.791 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.201 4.891 7.355 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.924 3.479 6.308 1.00 0.00 H new ATOM 0 HD13 ILE D 39 8.087 3.603 7.873 1.00 0.00 H new ATOM 1829 N LEU D 40 9.510 -1.326 6.921 1.00 0.00 N ATOM 1830 CA LEU D 40 9.740 -2.755 7.041 1.00 0.00 C ATOM 1831 C LEU D 40 10.062 -3.373 5.688 1.00 0.00 C ATOM 1832 O LEU D 40 10.971 -4.194 5.569 1.00 0.00 O ATOM 1833 CB LEU D 40 8.500 -3.423 7.631 1.00 0.00 C ATOM 1834 CG LEU D 40 8.288 -2.940 9.074 1.00 0.00 C ATOM 1835 CD1 LEU D 40 6.911 -3.401 9.563 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.383 -3.498 10.008 1.00 0.00 C ATOM 0 H LEU D 40 8.538 -1.035 7.028 1.00 0.00 H new ATOM 0 HA LEU D 40 10.594 -2.913 7.700 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.625 -3.186 7.026 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.616 -4.507 7.613 1.00 0.00 H new ATOM 0 HG LEU D 40 8.345 -1.852 9.091 1.00 0.00 H new ATOM 0 HD11 LEU D 40 6.756 -3.061 10.587 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.137 -2.982 8.920 1.00 0.00 H new ATOM 0 HD13 LEU D 40 6.859 -4.489 9.531 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.211 -3.142 11.024 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.352 -4.587 9.995 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.361 -3.159 9.665 1.00 0.00 H new ATOM 1848 N TRP D 41 9.308 -2.978 4.674 1.00 0.00 N ATOM 1849 CA TRP D 41 9.517 -3.511 3.336 1.00 0.00 C ATOM 1850 C TRP D 41 10.857 -3.055 2.770 1.00 0.00 C ATOM 1851 O TRP D 41 11.569 -3.828 2.125 1.00 0.00 O ATOM 1852 CB TRP D 41 8.356 -3.100 2.420 1.00 0.00 C ATOM 1853 CG TRP D 41 8.631 -3.562 1.027 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.441 -4.826 0.576 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.040 -2.776 -0.128 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.801 -4.877 -0.758 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.160 -3.639 -1.235 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.342 -1.416 -0.316 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.564 -3.176 -2.476 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.737 -0.943 -1.578 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.850 -1.825 -2.653 1.00 0.00 C ATOM 0 H TRP D 41 8.553 -2.297 4.750 1.00 0.00 H new ATOM 0 HA TRP D 41 9.541 -4.599 3.393 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.423 -3.534 2.781 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.231 -2.017 2.437 1.00 0.00 H new ATOM 0 HD1 TRP D 41 8.070 -5.655 1.161 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.800 -5.729 -1.319 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.270 -0.730 0.515 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.657 -3.862 -3.305 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 9.954 0.106 -1.717 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.159 -1.460 -3.621 1.00 0.00 H new ATOM 1872 N ILE D 42 11.198 -1.804 3.019 1.00 0.00 N ATOM 1873 CA ILE D 42 12.452 -1.261 2.531 1.00 0.00 C ATOM 1874 C ILE D 42 13.620 -1.998 3.155 1.00 0.00 C ATOM 1875 O ILE D 42 14.588 -2.336 2.477 1.00 0.00 O ATOM 1876 CB ILE D 42 12.539 0.244 2.859 1.00 0.00 C ATOM 1877 CG1 ILE D 42 11.538 1.037 1.985 1.00 0.00 C ATOM 1878 CG2 ILE D 42 13.969 0.754 2.620 1.00 0.00 C ATOM 1879 CD1 ILE D 42 12.159 1.388 0.624 1.00 0.00 C ATOM 0 H ILE D 42 10.628 -1.148 3.553 1.00 0.00 H new ATOM 0 HA ILE D 42 12.494 -1.390 1.450 1.00 0.00 H new ATOM 0 HB ILE D 42 12.283 0.392 3.908 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.633 0.448 1.836 1.00 0.00 H new ATOM 0 HG13 ILE D 42 11.242 1.950 2.501 1.00 0.00 H new ATOM 0 HG21 ILE D 42 14.020 1.817 2.854 1.00 0.00 H new ATOM 0 HG22 ILE D 42 14.662 0.208 3.260 1.00 0.00 H new ATOM 0 HG23 ILE D 42 14.241 0.599 1.576 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.437 1.945 0.027 1.00 0.00 H new ATOM 0 HD12 ILE D 42 13.050 1.997 0.777 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.431 0.471 0.101 1.00 0.00 H new ATOM 1891 N LEU D 43 13.524 -2.239 4.451 1.00 0.00 N ATOM 1892 CA LEU D 43 14.590 -2.927 5.155 1.00 0.00 C ATOM 1893 C LEU D 43 14.765 -4.335 4.600 1.00 0.00 C ATOM 1894 O LEU D 43 15.887 -4.819 4.453 1.00 0.00 O ATOM 1895 CB LEU D 43 14.281 -2.993 6.655 1.00 0.00 C ATOM 1896 CG LEU D 43 15.436 -3.681 7.404 1.00 0.00 C ATOM 1897 CD1 LEU D 43 16.748 -2.897 7.202 1.00 0.00 C ATOM 1898 CD2 LEU D 43 15.097 -3.754 8.896 1.00 0.00 C ATOM 0 H LEU D 43 12.729 -1.972 5.031 1.00 0.00 H new ATOM 0 HA LEU D 43 15.516 -2.371 5.009 1.00 0.00 H new ATOM 0 HB2 LEU D 43 14.131 -1.987 7.048 1.00 0.00 H new ATOM 0 HB3 LEU D 43 13.353 -3.541 6.819 1.00 0.00 H new ATOM 0 HG LEU D 43 15.570 -4.688 7.009 1.00 0.00 H new ATOM 0 HD11 LEU D 43 17.556 -3.396 7.738 1.00 0.00 H new ATOM 0 HD12 LEU D 43 16.988 -2.857 6.139 1.00 0.00 H new ATOM 0 HD13 LEU D 43 16.629 -1.884 7.586 1.00 0.00 H new ATOM 0 HD21 LEU D 43 15.912 -4.241 9.431 1.00 0.00 H new ATOM 0 HD22 LEU D 43 14.957 -2.746 9.287 1.00 0.00 H new ATOM 0 HD23 LEU D 43 14.180 -4.327 9.033 1.00 0.00 H new ATOM 1910 N ASP D 44 13.649 -4.989 4.299 1.00 0.00 N ATOM 1911 CA ASP D 44 13.689 -6.346 3.772 1.00 0.00 C ATOM 1912 C ASP D 44 14.602 -6.410 2.557 1.00 0.00 C ATOM 1913 O ASP D 44 15.431 -7.312 2.437 1.00 0.00 O ATOM 1914 CB ASP D 44 12.282 -6.792 3.377 1.00 0.00 C ATOM 1915 CG ASP D 44 12.318 -8.205 2.804 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.407 -8.734 2.649 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.256 -8.738 2.530 1.00 0.00 O ATOM 0 H ASP D 44 12.711 -4.604 4.410 1.00 0.00 H new ATOM 0 HA ASP D 44 14.076 -7.010 4.545 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.625 -6.761 4.247 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.868 -6.104 2.640 1.00 0.00 H new