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 -36:sc= 0.754 USER MOD Single : A 37 HIS : no HD1:sc= -9.35! C(o=-9.4!,f=-11!) USER MOD Single : B 31 SER OG : rot -23:sc= 0.742 USER MOD Single : B 37 HIS : no HD1:sc= -9.54! C(o=-9.5!,f=-11!) USER MOD Single : C 31 SER OG : rot -24:sc= 0.808 USER MOD Single : C 37 HIS : no HD1:sc= -9.42! C(o=-9.4!,f=-11!) USER MOD Single : D 31 SER OG : rot -30:sc= 0.842 USER MOD Single : D 37 HIS : no HD1:sc= -9.78! C(o=-9.8!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -13.135 4.988 1.895 1.00 0.00 N ATOM 108 CA VAL A 27 -12.261 5.250 3.031 1.00 0.00 C ATOM 109 C VAL A 27 -12.075 3.983 3.861 1.00 0.00 C ATOM 110 O VAL A 27 -10.956 3.638 4.249 1.00 0.00 O ATOM 111 CB VAL A 27 -12.860 6.358 3.902 1.00 0.00 C ATOM 112 CG1 VAL A 27 -12.000 6.546 5.154 1.00 0.00 C ATOM 113 CG2 VAL A 27 -12.895 7.667 3.107 1.00 0.00 C ATOM 0 HA VAL A 27 -11.288 5.571 2.658 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.873 6.082 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.427 7.335 5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.973 5.615 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.987 6.823 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.321 8.457 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.882 7.942 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.507 7.535 2.215 1.00 0.00 H new ATOM 123 N VAL A 28 -13.180 3.296 4.132 1.00 0.00 N ATOM 124 CA VAL A 28 -13.131 2.072 4.921 1.00 0.00 C ATOM 125 C VAL A 28 -12.320 1.003 4.198 1.00 0.00 C ATOM 126 O VAL A 28 -11.487 0.328 4.801 1.00 0.00 O ATOM 127 CB VAL A 28 -14.549 1.556 5.180 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.481 0.214 5.912 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.312 2.567 6.039 1.00 0.00 C ATOM 0 H VAL A 28 -14.113 3.564 3.819 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.650 2.295 5.873 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.065 1.424 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.491 -0.152 6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.939 -0.507 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.964 0.344 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.321 2.199 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.795 2.700 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.363 3.522 5.517 1.00 0.00 H new ATOM 139 N ALA A 29 -12.571 0.855 2.902 1.00 0.00 N ATOM 140 CA ALA A 29 -11.857 -0.138 2.107 1.00 0.00 C ATOM 141 C ALA A 29 -10.361 0.145 2.119 1.00 0.00 C ATOM 142 O ALA A 29 -9.549 -0.772 2.202 1.00 0.00 O ATOM 143 CB ALA A 29 -12.370 -0.119 0.664 1.00 0.00 C ATOM 0 H ALA A 29 -13.257 1.404 2.383 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.034 -1.121 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.832 -0.863 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.435 -0.349 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.208 0.869 0.233 1.00 0.00 H new ATOM 149 N ALA A 30 -10.000 1.420 2.037 1.00 0.00 N ATOM 150 CA ALA A 30 -8.593 1.802 2.038 1.00 0.00 C ATOM 151 C ALA A 30 -7.885 1.245 3.268 1.00 0.00 C ATOM 152 O ALA A 30 -6.816 0.645 3.161 1.00 0.00 O ATOM 153 CB ALA A 30 -8.470 3.326 2.024 1.00 0.00 C ATOM 0 H ALA A 30 -10.654 2.200 1.970 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.123 1.389 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.417 3.606 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.950 3.722 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.956 3.738 2.908 1.00 0.00 H new ATOM 159 N SER A 31 -8.488 1.444 4.434 1.00 0.00 N ATOM 160 CA SER A 31 -7.903 0.951 5.677 1.00 0.00 C ATOM 161 C SER A 31 -7.855 -0.574 5.685 1.00 0.00 C ATOM 162 O SER A 31 -6.878 -1.173 6.138 1.00 0.00 O ATOM 163 CB SER A 31 -8.722 1.443 6.868 1.00 0.00 C ATOM 164 OG SER A 31 -10.063 0.995 6.729 1.00 0.00 O ATOM 0 H SER A 31 -9.373 1.938 4.546 1.00 0.00 H new ATOM 0 HA SER A 31 -6.885 1.333 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.295 1.068 7.798 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.693 2.531 6.920 1.00 0.00 H new ATOM 0 HG SER A 31 -10.318 1.015 5.783 1.00 0.00 H new ATOM 170 N ILE A 32 -8.916 -1.193 5.180 1.00 0.00 N ATOM 171 CA ILE A 32 -8.990 -2.649 5.130 1.00 0.00 C ATOM 172 C ILE A 32 -7.921 -3.209 4.198 1.00 0.00 C ATOM 173 O ILE A 32 -7.275 -4.201 4.513 1.00 0.00 O ATOM 174 CB ILE A 32 -10.374 -3.096 4.651 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.415 -2.733 5.713 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.379 -4.616 4.433 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.819 -2.962 5.151 1.00 0.00 C ATOM 0 H ILE A 32 -9.733 -0.713 4.801 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.818 -3.032 6.136 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.613 -2.596 3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.266 -3.340 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.297 -1.692 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.365 -4.931 4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.634 -4.878 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.141 -5.119 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.560 -2.704 5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.965 -2.336 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.934 -4.010 4.874 1.00 0.00 H new ATOM 189 N ILE A 33 -7.747 -2.570 3.050 1.00 0.00 N ATOM 190 CA ILE A 33 -6.760 -3.030 2.080 1.00 0.00 C ATOM 191 C ILE A 33 -5.357 -2.993 2.678 1.00 0.00 C ATOM 192 O ILE A 33 -4.578 -3.931 2.509 1.00 0.00 O ATOM 193 CB ILE A 33 -6.809 -2.137 0.830 1.00 0.00 C ATOM 194 CG1 ILE A 33 -8.108 -2.402 0.058 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.603 -2.428 -0.074 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.344 -1.270 -0.944 1.00 0.00 C ATOM 0 H ILE A 33 -8.269 -1.740 2.768 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.996 -4.059 1.808 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.777 -1.092 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.046 -3.357 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.947 -2.471 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.648 -1.790 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.682 -2.227 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.622 -3.474 -0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.267 -1.457 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.425 -0.323 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.509 -1.223 -1.643 1.00 0.00 H new ATOM 208 N GLY A 34 -5.037 -1.909 3.366 1.00 0.00 N ATOM 209 CA GLY A 34 -3.720 -1.773 3.969 1.00 0.00 C ATOM 210 C GLY A 34 -3.522 -2.771 5.104 1.00 0.00 C ATOM 211 O GLY A 34 -2.530 -3.500 5.138 1.00 0.00 O ATOM 0 H GLY A 34 -5.663 -1.118 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.953 -1.926 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.595 -0.759 4.348 1.00 0.00 H new ATOM 215 N ILE A 35 -4.467 -2.795 6.037 1.00 0.00 N ATOM 216 CA ILE A 35 -4.377 -3.702 7.174 1.00 0.00 C ATOM 217 C ILE A 35 -4.469 -5.155 6.719 1.00 0.00 C ATOM 218 O ILE A 35 -3.712 -6.005 7.178 1.00 0.00 O ATOM 219 CB ILE A 35 -5.508 -3.406 8.164 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.291 -2.023 8.780 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.508 -4.461 9.277 1.00 0.00 C ATOM 222 CD1 ILE A 35 -6.550 -1.596 9.536 1.00 0.00 C ATOM 0 H ILE A 35 -5.297 -2.202 6.029 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.413 -3.549 7.659 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.464 -3.431 7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.437 -2.045 9.458 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.060 -1.298 8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.313 -4.248 9.980 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.658 -5.449 8.842 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.553 -4.437 9.801 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.394 -0.610 9.975 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.393 -1.557 8.846 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.761 -2.316 10.327 1.00 0.00 H new ATOM 234 N LEU A 36 -5.409 -5.433 5.827 1.00 0.00 N ATOM 235 CA LEU A 36 -5.597 -6.794 5.341 1.00 0.00 C ATOM 236 C LEU A 36 -4.353 -7.289 4.609 1.00 0.00 C ATOM 237 O LEU A 36 -3.904 -8.422 4.813 1.00 0.00 O ATOM 238 CB LEU A 36 -6.803 -6.846 4.391 1.00 0.00 C ATOM 239 CG LEU A 36 -7.054 -8.292 3.931 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.401 -9.183 5.141 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.210 -8.309 2.924 1.00 0.00 C ATOM 0 H LEU A 36 -6.047 -4.744 5.428 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.776 -7.441 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.689 -6.458 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.622 -6.208 3.526 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.152 -8.681 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.577 -10.204 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.573 -9.173 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.299 -8.803 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.391 -9.332 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.110 -7.915 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.952 -7.692 2.063 1.00 0.00 H new ATOM 253 N HIS A 37 -3.803 -6.436 3.757 1.00 0.00 N ATOM 254 CA HIS A 37 -2.615 -6.790 2.994 1.00 0.00 C ATOM 255 C HIS A 37 -1.448 -7.066 3.928 1.00 0.00 C ATOM 256 O HIS A 37 -0.665 -7.989 3.701 1.00 0.00 O ATOM 257 CB HIS A 37 -2.256 -5.662 2.033 1.00 0.00 C ATOM 258 CG HIS A 37 -1.044 -6.056 1.237 1.00 0.00 C ATOM 259 ND1 HIS A 37 -1.077 -6.206 -0.135 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.243 -6.347 1.610 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.153 -6.572 -0.534 1.00 0.00 C ATOM 262 NE2 HIS A 37 0.997 -6.669 0.490 1.00 0.00 N ATOM 0 H HIS A 37 -4.159 -5.497 3.577 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.826 -7.693 2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.093 -5.457 1.366 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.059 -4.745 2.588 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.615 -6.328 2.624 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.424 -6.764 -1.562 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.984 -6.925 0.459 1.00 0.00 H new ATOM 270 N LEU A 38 -1.334 -6.260 4.970 1.00 0.00 N ATOM 271 CA LEU A 38 -0.251 -6.420 5.927 1.00 0.00 C ATOM 272 C LEU A 38 -0.324 -7.774 6.605 1.00 0.00 C ATOM 273 O LEU A 38 0.695 -8.397 6.846 1.00 0.00 O ATOM 274 CB LEU A 38 -0.299 -5.298 6.981 1.00 0.00 C ATOM 275 CG LEU A 38 0.481 -4.067 6.495 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.140 -2.866 7.381 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.001 -4.335 6.551 1.00 0.00 C ATOM 0 H LEU A 38 -1.974 -5.492 5.175 1.00 0.00 H new ATOM 0 HA LEU A 38 0.693 -6.357 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.335 -5.023 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.123 -5.655 7.920 1.00 0.00 H new ATOM 0 HG LEU A 38 0.200 -3.856 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.693 -1.992 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.930 -2.664 7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.414 -3.086 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.539 -3.453 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.294 -4.558 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.245 -5.184 5.912 1.00 0.00 H new ATOM 289 N ILE A 39 -1.520 -8.224 6.913 1.00 0.00 N ATOM 290 CA ILE A 39 -1.672 -9.508 7.572 1.00 0.00 C ATOM 291 C ILE A 39 -1.117 -10.628 6.691 1.00 0.00 C ATOM 292 O ILE A 39 -0.423 -11.524 7.163 1.00 0.00 O ATOM 293 CB ILE A 39 -3.155 -9.757 7.856 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.639 -8.774 8.928 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.360 -11.192 8.347 1.00 0.00 C ATOM 296 CD1 ILE A 39 -5.165 -8.844 9.042 1.00 0.00 C ATOM 0 H ILE A 39 -2.392 -7.730 6.722 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.116 -9.497 8.509 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.726 -9.610 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.182 -9.014 9.888 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.330 -7.761 8.672 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.418 -11.361 8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.019 -11.890 7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.789 -11.349 9.262 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.505 -8.144 9.805 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.614 -8.583 8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.463 -9.855 9.319 1.00 0.00 H new ATOM 308 N LEU A 40 -1.439 -10.580 5.410 1.00 0.00 N ATOM 309 CA LEU A 40 -0.959 -11.602 4.486 1.00 0.00 C ATOM 310 C LEU A 40 0.523 -11.410 4.172 1.00 0.00 C ATOM 311 O LEU A 40 1.288 -12.374 4.095 1.00 0.00 O ATOM 312 CB LEU A 40 -1.768 -11.548 3.194 1.00 0.00 C ATOM 313 CG LEU A 40 -3.244 -11.845 3.500 1.00 0.00 C ATOM 314 CD1 LEU A 40 -4.068 -11.669 2.221 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.407 -13.287 4.032 1.00 0.00 C ATOM 0 H LEU A 40 -2.022 -9.857 4.987 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.085 -12.576 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.672 -10.565 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.381 -12.274 2.479 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.596 -11.153 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.117 -11.879 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.968 -10.645 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.707 -12.358 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.459 -13.480 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.052 -13.994 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.825 -13.405 4.946 1.00 0.00 H new ATOM 327 N TRP A 41 0.916 -10.160 3.980 1.00 0.00 N ATOM 328 CA TRP A 41 2.302 -9.849 3.656 1.00 0.00 C ATOM 329 C TRP A 41 3.231 -10.081 4.846 1.00 0.00 C ATOM 330 O TRP A 41 4.302 -10.673 4.700 1.00 0.00 O ATOM 331 CB TRP A 41 2.410 -8.398 3.179 1.00 0.00 C ATOM 332 CG TRP A 41 3.850 -8.041 2.993 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.585 -8.321 1.892 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.721 -7.290 3.886 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.868 -7.837 2.080 1.00 0.00 N ATOM 336 CE2 TRP A 41 5.993 -7.182 3.288 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.534 -6.707 5.154 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.042 -6.522 3.920 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.589 -6.031 5.785 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.838 -5.941 5.169 1.00 0.00 C ATOM 0 H TRP A 41 0.301 -9.349 4.042 1.00 0.00 H new ATOM 0 HA TRP A 41 2.617 -10.522 2.859 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.869 -8.271 2.242 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.949 -7.729 3.906 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.229 -8.837 1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.627 -7.950 1.408 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.574 -6.781 5.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.010 -6.461 3.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.434 -5.578 6.753 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.646 -5.421 5.661 1.00 0.00 H new ATOM 351 N ILE A 42 2.826 -9.602 6.006 1.00 0.00 N ATOM 352 CA ILE A 42 3.637 -9.747 7.201 1.00 0.00 C ATOM 353 C ILE A 42 3.840 -11.223 7.527 1.00 0.00 C ATOM 354 O ILE A 42 4.920 -11.632 7.951 1.00 0.00 O ATOM 355 CB ILE A 42 2.959 -9.034 8.380 1.00 0.00 C ATOM 356 CG1 ILE A 42 3.965 -8.872 9.525 1.00 0.00 C ATOM 357 CG2 ILE A 42 1.748 -9.851 8.870 1.00 0.00 C ATOM 358 CD1 ILE A 42 5.087 -7.887 9.136 1.00 0.00 C ATOM 0 H ILE A 42 1.943 -9.111 6.147 1.00 0.00 H new ATOM 0 HA ILE A 42 4.612 -9.293 7.023 1.00 0.00 H new ATOM 0 HB ILE A 42 2.615 -8.053 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.452 -8.512 10.417 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.397 -9.841 9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.276 -9.335 9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.029 -9.959 8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.081 -10.837 9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.788 -7.789 9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.613 -8.263 8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.654 -6.913 8.910 1.00 0.00 H new ATOM 370 N LEU A 43 2.794 -12.012 7.325 1.00 0.00 N ATOM 371 CA LEU A 43 2.865 -13.439 7.600 1.00 0.00 C ATOM 372 C LEU A 43 3.913 -14.095 6.711 1.00 0.00 C ATOM 373 O LEU A 43 4.654 -14.971 7.149 1.00 0.00 O ATOM 374 CB LEU A 43 1.493 -14.086 7.366 1.00 0.00 C ATOM 375 CG LEU A 43 0.582 -13.844 8.584 1.00 0.00 C ATOM 376 CD1 LEU A 43 -0.860 -14.227 8.224 1.00 0.00 C ATOM 377 CD2 LEU A 43 1.061 -14.681 9.801 1.00 0.00 C ATOM 0 H LEU A 43 1.892 -11.690 6.974 1.00 0.00 H new ATOM 0 HA LEU A 43 3.152 -13.584 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.034 -13.670 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.611 -15.156 7.196 1.00 0.00 H new ATOM 0 HG LEU A 43 0.626 -12.789 8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.507 -14.057 9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.200 -13.617 7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.898 -15.280 7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.404 -14.496 10.651 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.035 -15.741 9.547 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.080 -14.395 10.061 1.00 0.00 H new ATOM 389 N ASP A 44 3.968 -13.668 5.461 1.00 0.00 N ATOM 390 CA ASP A 44 4.933 -14.230 4.530 1.00 0.00 C ATOM 391 C ASP A 44 6.357 -13.963 5.009 1.00 0.00 C ATOM 392 O ASP A 44 7.233 -14.816 4.890 1.00 0.00 O ATOM 393 CB ASP A 44 4.731 -13.618 3.145 1.00 0.00 C ATOM 394 CG ASP A 44 5.793 -14.139 2.185 1.00 0.00 C ATOM 395 OD1 ASP A 44 6.476 -15.085 2.544 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.911 -13.583 1.106 1.00 0.00 O ATOM 0 H ASP A 44 3.365 -12.944 5.070 1.00 0.00 H new ATOM 0 HA ASP A 44 4.779 -15.308 4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.738 -13.865 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.787 -12.531 3.207 1.00 0.00 H new ATOM 630 N VAL B 28 -9.887 8.067 -6.208 1.00 0.00 N ATOM 631 CA VAL B 28 -10.136 6.918 -7.071 1.00 0.00 C ATOM 632 C VAL B 28 -8.835 6.177 -7.358 1.00 0.00 C ATOM 633 O VAL B 28 -8.785 4.949 -7.302 1.00 0.00 O ATOM 634 CB VAL B 28 -10.770 7.374 -8.386 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.929 6.174 -9.323 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.145 7.986 -8.106 1.00 0.00 C ATOM 0 HA VAL B 28 -10.821 6.243 -6.558 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.128 8.119 -8.856 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.381 6.501 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -9.951 5.738 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.569 5.427 -8.853 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.596 8.311 -9.043 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.785 7.241 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.033 8.842 -7.441 1.00 0.00 H new ATOM 646 N ALA B 29 -7.787 6.932 -7.662 1.00 0.00 N ATOM 647 CA ALA B 29 -6.490 6.333 -7.957 1.00 0.00 C ATOM 648 C ALA B 29 -5.977 5.552 -6.753 1.00 0.00 C ATOM 649 O ALA B 29 -5.407 4.474 -6.901 1.00 0.00 O ATOM 650 CB ALA B 29 -5.483 7.424 -8.326 1.00 0.00 C ATOM 0 H ALA B 29 -7.807 7.951 -7.711 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.608 5.649 -8.797 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.517 6.969 -8.545 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.837 7.964 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.376 8.118 -7.492 1.00 0.00 H new ATOM 656 N ALA B 30 -6.183 6.100 -5.562 1.00 0.00 N ATOM 657 CA ALA B 30 -5.730 5.438 -4.345 1.00 0.00 C ATOM 658 C ALA B 30 -6.301 4.026 -4.257 1.00 0.00 C ATOM 659 O ALA B 30 -5.573 3.067 -4.002 1.00 0.00 O ATOM 660 CB ALA B 30 -6.170 6.243 -3.123 1.00 0.00 C ATOM 0 H ALA B 30 -6.656 6.992 -5.413 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.642 5.376 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.829 5.744 -2.216 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.738 7.243 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -7.257 6.318 -3.109 1.00 0.00 H new ATOM 666 N SER B 31 -7.607 3.905 -4.471 1.00 0.00 N ATOM 667 CA SER B 31 -8.260 2.602 -4.415 1.00 0.00 C ATOM 668 C SER B 31 -7.743 1.690 -5.525 1.00 0.00 C ATOM 669 O SER B 31 -7.527 0.497 -5.311 1.00 0.00 O ATOM 670 CB SER B 31 -9.770 2.772 -4.557 1.00 0.00 C ATOM 671 OG SER B 31 -10.052 3.435 -5.781 1.00 0.00 O ATOM 0 H SER B 31 -8.229 4.685 -4.683 1.00 0.00 H new ATOM 0 HA SER B 31 -8.032 2.145 -3.452 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.261 1.799 -4.535 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.164 3.347 -3.719 1.00 0.00 H new ATOM 0 HG SER B 31 -9.268 3.951 -6.062 1.00 0.00 H new ATOM 677 N ILE B 32 -7.548 2.263 -6.707 1.00 0.00 N ATOM 678 CA ILE B 32 -7.055 1.498 -7.847 1.00 0.00 C ATOM 679 C ILE B 32 -5.640 0.997 -7.585 1.00 0.00 C ATOM 680 O ILE B 32 -5.314 -0.145 -7.890 1.00 0.00 O ATOM 681 CB ILE B 32 -7.068 2.359 -9.113 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.518 2.658 -9.502 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.380 1.604 -10.258 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.542 3.707 -10.615 1.00 0.00 C ATOM 0 H ILE B 32 -7.722 3.249 -6.901 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.713 0.641 -7.990 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.536 3.291 -8.925 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.011 1.746 -9.837 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.071 3.019 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.391 2.219 -11.158 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.349 1.384 -9.981 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.911 0.672 -10.450 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.574 3.920 -10.892 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.065 4.622 -10.263 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.004 3.328 -11.484 1.00 0.00 H new ATOM 696 N ILE B 33 -4.800 1.859 -7.027 1.00 0.00 N ATOM 697 CA ILE B 33 -3.422 1.483 -6.749 1.00 0.00 C ATOM 698 C ILE B 33 -3.365 0.311 -5.776 1.00 0.00 C ATOM 699 O ILE B 33 -2.598 -0.632 -5.971 1.00 0.00 O ATOM 700 CB ILE B 33 -2.672 2.681 -6.148 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.461 3.753 -7.225 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.311 2.233 -5.590 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.086 5.079 -6.558 1.00 0.00 C ATOM 0 H ILE B 33 -5.046 2.813 -6.761 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.952 1.182 -7.685 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.267 3.096 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.673 3.444 -7.912 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.369 3.875 -7.815 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.790 3.092 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.465 1.484 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.711 1.805 -6.393 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.936 5.841 -7.323 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.888 5.389 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.166 4.952 -5.987 1.00 0.00 H new ATOM 715 N GLY B 34 -4.174 0.373 -4.729 1.00 0.00 N ATOM 716 CA GLY B 34 -4.191 -0.692 -3.739 1.00 0.00 C ATOM 717 C GLY B 34 -4.745 -1.987 -4.322 1.00 0.00 C ATOM 718 O GLY B 34 -4.126 -3.043 -4.214 1.00 0.00 O ATOM 0 H GLY B 34 -4.820 1.140 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.180 -0.862 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.797 -0.387 -2.886 1.00 0.00 H new ATOM 722 N ILE B 35 -5.921 -1.899 -4.934 1.00 0.00 N ATOM 723 CA ILE B 35 -6.552 -3.073 -5.520 1.00 0.00 C ATOM 724 C ILE B 35 -5.724 -3.611 -6.681 1.00 0.00 C ATOM 725 O ILE B 35 -5.524 -4.816 -6.804 1.00 0.00 O ATOM 726 CB ILE B 35 -7.956 -2.714 -6.019 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.848 -2.380 -4.822 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.554 -3.905 -6.780 1.00 0.00 C ATOM 729 CD1 ILE B 35 -10.150 -1.743 -5.314 1.00 0.00 C ATOM 0 H ILE B 35 -6.452 -1.034 -5.036 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.620 -3.844 -4.752 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.894 -1.853 -6.685 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -9.066 -3.285 -4.254 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.329 -1.698 -4.148 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.552 -3.647 -7.134 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.919 -4.148 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.616 -4.767 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.784 -1.506 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.923 -0.829 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.671 -2.440 -5.970 1.00 0.00 H new ATOM 741 N LEU B 36 -5.260 -2.714 -7.539 1.00 0.00 N ATOM 742 CA LEU B 36 -4.475 -3.123 -8.696 1.00 0.00 C ATOM 743 C LEU B 36 -3.178 -3.803 -8.263 1.00 0.00 C ATOM 744 O LEU B 36 -2.795 -4.844 -8.805 1.00 0.00 O ATOM 745 CB LEU B 36 -4.145 -1.899 -9.563 1.00 0.00 C ATOM 746 CG LEU B 36 -3.380 -2.333 -10.825 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.260 -3.257 -11.689 1.00 0.00 C ATOM 748 CD2 LEU B 36 -2.990 -1.087 -11.631 1.00 0.00 C ATOM 0 H LEU B 36 -5.411 -1.708 -7.458 1.00 0.00 H new ATOM 0 HA LEU B 36 -5.066 -3.834 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.064 -1.385 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.546 -1.190 -8.991 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.483 -2.878 -10.532 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.708 -3.557 -12.579 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.532 -4.143 -11.114 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.164 -2.725 -11.985 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.447 -1.388 -12.527 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.890 -0.543 -11.918 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.355 -0.443 -11.022 1.00 0.00 H new ATOM 760 N HIS B 37 -2.508 -3.207 -7.288 1.00 0.00 N ATOM 761 CA HIS B 37 -1.255 -3.753 -6.790 1.00 0.00 C ATOM 762 C HIS B 37 -1.478 -5.135 -6.199 1.00 0.00 C ATOM 763 O HIS B 37 -0.661 -6.039 -6.380 1.00 0.00 O ATOM 764 CB HIS B 37 -0.664 -2.826 -5.732 1.00 0.00 C ATOM 765 CG HIS B 37 0.637 -3.397 -5.241 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.839 -2.737 -5.403 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.940 -4.569 -4.601 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.802 -3.512 -4.873 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.306 -4.639 -4.367 1.00 0.00 N ATOM 0 H HIS B 37 -2.810 -2.348 -6.828 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.556 -3.836 -7.623 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.503 -1.833 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.361 -2.712 -4.902 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.223 -5.326 -4.320 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.850 -3.252 -4.860 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.819 -5.391 -3.907 1.00 0.00 H new ATOM 777 N LEU B 38 -2.583 -5.291 -5.486 1.00 0.00 N ATOM 778 CA LEU B 38 -2.898 -6.566 -4.863 1.00 0.00 C ATOM 779 C LEU B 38 -3.058 -7.656 -5.904 1.00 0.00 C ATOM 780 O LEU B 38 -2.639 -8.779 -5.687 1.00 0.00 O ATOM 781 CB LEU B 38 -4.185 -6.447 -4.024 1.00 0.00 C ATOM 782 CG LEU B 38 -3.859 -5.973 -2.599 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.151 -5.543 -1.895 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.184 -7.109 -1.795 1.00 0.00 C ATOM 0 H LEU B 38 -3.272 -4.556 -5.325 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.069 -6.835 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.871 -5.746 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.691 -7.412 -3.985 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.173 -5.128 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.920 -5.207 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.615 -4.728 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.838 -6.388 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.959 -6.758 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.857 -7.965 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.260 -7.406 -2.291 1.00 0.00 H new ATOM 796 N ILE B 39 -3.663 -7.325 -7.024 1.00 0.00 N ATOM 797 CA ILE B 39 -3.862 -8.316 -8.067 1.00 0.00 C ATOM 798 C ILE B 39 -2.515 -8.844 -8.560 1.00 0.00 C ATOM 799 O ILE B 39 -2.337 -10.045 -8.757 1.00 0.00 O ATOM 800 CB ILE B 39 -4.630 -7.679 -9.227 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.064 -7.373 -8.782 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.657 -8.633 -10.423 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.766 -6.519 -9.843 1.00 0.00 C ATOM 0 H ILE B 39 -4.022 -6.394 -7.237 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.435 -9.152 -7.665 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.133 -6.754 -9.521 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.613 -8.302 -8.628 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.054 -6.847 -7.827 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.206 -8.172 -11.244 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.637 -8.845 -10.742 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.148 -9.563 -10.136 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.785 -6.304 -9.521 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.223 -5.583 -9.975 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.790 -7.061 -10.788 1.00 0.00 H new ATOM 815 N LEU B 40 -1.573 -7.942 -8.774 1.00 0.00 N ATOM 816 CA LEU B 40 -0.252 -8.344 -9.245 1.00 0.00 C ATOM 817 C LEU B 40 0.560 -8.998 -8.128 1.00 0.00 C ATOM 818 O LEU B 40 1.260 -9.988 -8.345 1.00 0.00 O ATOM 819 CB LEU B 40 0.494 -7.125 -9.781 1.00 0.00 C ATOM 820 CG LEU B 40 -0.276 -6.537 -10.973 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.409 -5.245 -11.428 1.00 0.00 C ATOM 822 CD2 LEU B 40 -0.321 -7.547 -12.142 1.00 0.00 C ATOM 0 H LEU B 40 -1.691 -6.939 -8.633 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.382 -9.077 -10.042 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.599 -6.375 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.501 -7.408 -10.088 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.299 -6.323 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.134 -4.824 -12.274 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.415 -4.528 -10.607 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.434 -5.463 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.871 -7.113 -12.977 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.695 -7.782 -12.459 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -0.819 -8.460 -11.815 1.00 0.00 H new ATOM 834 N TRP B 41 0.470 -8.425 -6.936 1.00 0.00 N ATOM 835 CA TRP B 41 1.212 -8.944 -5.795 1.00 0.00 C ATOM 836 C TRP B 41 0.659 -10.286 -5.320 1.00 0.00 C ATOM 837 O TRP B 41 1.418 -11.222 -5.063 1.00 0.00 O ATOM 838 CB TRP B 41 1.180 -7.929 -4.650 1.00 0.00 C ATOM 839 CG TRP B 41 1.809 -8.526 -3.432 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.137 -8.567 -3.183 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.157 -9.114 -2.270 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.342 -9.193 -1.968 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.152 -9.533 -1.363 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.190 -9.332 -1.924 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.827 -10.147 -0.157 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.517 -9.939 -0.701 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.491 -10.345 0.176 1.00 0.00 C ATOM 0 H TRP B 41 -0.105 -7.607 -6.734 1.00 0.00 H new ATOM 0 HA TRP B 41 2.242 -9.106 -6.113 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.712 -7.023 -4.939 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.151 -7.640 -4.436 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.910 -8.175 -3.827 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.262 -9.380 -1.568 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.975 -9.031 -2.602 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.608 -10.468 0.517 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.553 -10.093 -0.437 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.233 -10.813 1.114 1.00 0.00 H new ATOM 858 N ILE B 42 -0.653 -10.364 -5.195 1.00 0.00 N ATOM 859 CA ILE B 42 -1.288 -11.586 -4.734 1.00 0.00 C ATOM 860 C ILE B 42 -0.993 -12.733 -5.695 1.00 0.00 C ATOM 861 O ILE B 42 -0.773 -13.867 -5.274 1.00 0.00 O ATOM 862 CB ILE B 42 -2.804 -11.372 -4.618 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.419 -12.511 -3.797 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.445 -11.342 -6.017 1.00 0.00 C ATOM 865 CD1 ILE B 42 -2.966 -12.436 -2.325 1.00 0.00 C ATOM 0 H ILE B 42 -1.297 -9.601 -5.405 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.887 -11.843 -3.754 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.991 -10.419 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -4.506 -12.457 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -3.127 -13.471 -4.223 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.520 -11.190 -5.921 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.013 -10.527 -6.598 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.256 -12.288 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.416 -13.255 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.880 -12.515 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.281 -11.485 -1.895 1.00 0.00 H new ATOM 877 N LEU B 43 -0.993 -12.424 -6.985 1.00 0.00 N ATOM 878 CA LEU B 43 -0.727 -13.432 -7.998 1.00 0.00 C ATOM 879 C LEU B 43 0.675 -14.000 -7.821 1.00 0.00 C ATOM 880 O LEU B 43 0.894 -15.199 -7.971 1.00 0.00 O ATOM 881 CB LEU B 43 -0.876 -12.819 -9.398 1.00 0.00 C ATOM 882 CG LEU B 43 -2.364 -12.754 -9.789 1.00 0.00 C ATOM 883 CD1 LEU B 43 -2.524 -11.878 -11.040 1.00 0.00 C ATOM 884 CD2 LEU B 43 -2.918 -14.176 -10.070 1.00 0.00 C ATOM 0 H LEU B 43 -1.173 -11.489 -7.351 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.448 -14.242 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.443 -11.819 -9.414 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.326 -13.416 -10.126 1.00 0.00 H new ATOM 0 HG LEU B 43 -2.927 -12.321 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -3.577 -11.831 -11.319 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.159 -10.873 -10.829 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.950 -12.308 -11.861 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.971 -14.109 -10.345 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.358 -14.630 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.815 -14.790 -9.175 1.00 0.00 H new ATOM 896 N ASP B 44 1.623 -13.133 -7.501 1.00 0.00 N ATOM 897 CA ASP B 44 2.993 -13.575 -7.310 1.00 0.00 C ATOM 898 C ASP B 44 3.079 -14.562 -6.152 1.00 0.00 C ATOM 899 O ASP B 44 3.820 -15.545 -6.214 1.00 0.00 O ATOM 900 CB ASP B 44 3.887 -12.369 -7.028 1.00 0.00 C ATOM 901 CG ASP B 44 5.307 -12.833 -6.733 1.00 0.00 C ATOM 902 OD1 ASP B 44 5.592 -13.994 -6.974 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.090 -12.019 -6.273 1.00 0.00 O ATOM 0 H ASP B 44 1.471 -12.133 -7.370 1.00 0.00 H new ATOM 0 HA ASP B 44 3.330 -14.074 -8.219 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.886 -11.696 -7.886 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.496 -11.806 -6.181 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.642 14.115 -0.887 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.611 14.070 -1.913 1.00 0.00 C ATOM 1139 C VAL C 28 0.417 12.992 -1.590 1.00 0.00 C ATOM 1140 O VAL C 28 0.821 12.226 -2.464 1.00 0.00 O ATOM 1141 CB VAL C 28 0.086 15.431 -2.018 1.00 0.00 C ATOM 1142 CG1 VAL C 28 1.237 15.340 -3.020 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -0.919 16.484 -2.490 1.00 0.00 C ATOM 0 HA VAL C 28 -1.084 13.832 -2.866 1.00 0.00 H new ATOM 0 HB VAL C 28 0.477 15.714 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.732 16.308 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.954 14.591 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.847 15.056 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.424 17.452 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.311 16.201 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -1.739 16.550 -1.775 1.00 0.00 H new ATOM 1153 N ALA C 29 0.835 12.937 -0.331 1.00 0.00 N ATOM 1154 CA ALA C 29 1.816 11.946 0.095 1.00 0.00 C ATOM 1155 C ALA C 29 1.282 10.537 -0.128 1.00 0.00 C ATOM 1156 O ALA C 29 2.013 9.650 -0.561 1.00 0.00 O ATOM 1157 CB ALA C 29 2.146 12.139 1.577 1.00 0.00 C ATOM 0 H ALA C 29 0.513 13.562 0.408 1.00 0.00 H new ATOM 0 HA ALA C 29 2.721 12.080 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.879 11.394 1.886 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.555 13.137 1.732 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.239 12.023 2.170 1.00 0.00 H new ATOM 1163 N ALA C 30 0.004 10.337 0.167 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.610 9.025 -0.007 1.00 0.00 C ATOM 1165 C ALA C 30 -0.416 8.526 -1.435 1.00 0.00 C ATOM 1166 O ALA C 30 0.005 7.391 -1.655 1.00 0.00 O ATOM 1167 CB ALA C 30 -2.104 9.103 0.307 1.00 0.00 C ATOM 0 H ALA C 30 -0.623 11.058 0.524 1.00 0.00 H new ATOM 0 HA ALA C 30 -0.129 8.327 0.678 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.555 8.120 0.175 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -2.243 9.430 1.337 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.581 9.815 -0.367 1.00 0.00 H new ATOM 1173 N SER C 31 -0.723 9.383 -2.404 1.00 0.00 N ATOM 1174 CA SER C 31 -0.573 9.013 -3.809 1.00 0.00 C ATOM 1175 C SER C 31 0.894 8.763 -4.150 1.00 0.00 C ATOM 1176 O SER C 31 1.220 7.830 -4.884 1.00 0.00 O ATOM 1177 CB SER C 31 -1.121 10.127 -4.697 1.00 0.00 C ATOM 1178 OG SER C 31 -0.432 11.336 -4.410 1.00 0.00 O ATOM 0 H SER C 31 -1.073 10.328 -2.246 1.00 0.00 H new ATOM 0 HA SER C 31 -1.133 8.094 -3.985 1.00 0.00 H new ATOM 0 HB2 SER C 31 -0.997 9.865 -5.748 1.00 0.00 H new ATOM 0 HB3 SER C 31 -2.190 10.254 -4.524 1.00 0.00 H new ATOM 0 HG SER C 31 -0.063 11.295 -3.503 1.00 0.00 H new ATOM 1184 N ILE C 32 1.769 9.604 -3.610 1.00 0.00 N ATOM 1185 CA ILE C 32 3.200 9.469 -3.860 1.00 0.00 C ATOM 1186 C ILE C 32 3.727 8.161 -3.277 1.00 0.00 C ATOM 1187 O ILE C 32 4.518 7.470 -3.906 1.00 0.00 O ATOM 1188 CB ILE C 32 3.961 10.648 -3.249 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.598 11.928 -4.007 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.472 10.403 -3.362 1.00 0.00 C ATOM 1191 CD1 ILE C 32 4.155 13.138 -3.258 1.00 0.00 C ATOM 0 H ILE C 32 1.516 10.381 -3.000 1.00 0.00 H new ATOM 0 HA ILE C 32 3.357 9.463 -4.939 1.00 0.00 H new ATOM 0 HB ILE C 32 3.689 10.750 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE C 32 4.005 11.893 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.515 12.012 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE C 32 6.011 11.244 -2.926 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.733 9.489 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.747 10.301 -4.412 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.897 14.050 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.726 13.175 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE C 32 5.239 13.054 -3.186 1.00 0.00 H new ATOM 1203 N ILE C 33 3.289 7.835 -2.067 1.00 0.00 N ATOM 1204 CA ILE C 33 3.739 6.615 -1.413 1.00 0.00 C ATOM 1205 C ILE C 33 3.350 5.388 -2.230 1.00 0.00 C ATOM 1206 O ILE C 33 4.153 4.471 -2.407 1.00 0.00 O ATOM 1207 CB ILE C 33 3.113 6.521 -0.013 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.729 7.587 0.901 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.359 5.126 0.584 1.00 0.00 C ATOM 1210 CD1 ILE C 33 2.848 7.766 2.142 1.00 0.00 C ATOM 0 H ILE C 33 2.629 8.393 -1.524 1.00 0.00 H new ATOM 0 HA ILE C 33 4.825 6.646 -1.330 1.00 0.00 H new ATOM 0 HB ILE C 33 2.039 6.688 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.736 7.291 1.196 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.819 8.532 0.366 1.00 0.00 H new ATOM 0 HG21 ILE C 33 2.911 5.071 1.576 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.909 4.370 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.431 4.947 0.660 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.285 8.524 2.792 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.850 8.081 1.837 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.781 6.821 2.680 1.00 0.00 H new ATOM 1222 N GLY C 34 2.120 5.370 -2.717 1.00 0.00 N ATOM 1223 CA GLY C 34 1.647 4.241 -3.505 1.00 0.00 C ATOM 1224 C GLY C 34 2.372 4.154 -4.844 1.00 0.00 C ATOM 1225 O GLY C 34 2.896 3.101 -5.211 1.00 0.00 O ATOM 0 H GLY C 34 1.436 6.115 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.798 3.317 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.575 4.338 -3.676 1.00 0.00 H new ATOM 1229 N ILE C 35 2.391 5.263 -5.574 1.00 0.00 N ATOM 1230 CA ILE C 35 3.045 5.295 -6.876 1.00 0.00 C ATOM 1231 C ILE C 35 4.550 5.092 -6.731 1.00 0.00 C ATOM 1232 O ILE C 35 5.158 4.344 -7.492 1.00 0.00 O ATOM 1233 CB ILE C 35 2.776 6.638 -7.559 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.287 6.746 -7.893 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.593 6.731 -8.856 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.958 8.182 -8.304 1.00 0.00 C ATOM 0 H ILE C 35 1.965 6.145 -5.289 1.00 0.00 H new ATOM 0 HA ILE C 35 2.639 4.486 -7.483 1.00 0.00 H new ATOM 0 HB ILE C 35 3.064 7.448 -6.889 1.00 0.00 H new ATOM 0 HG12 ILE C 35 1.034 6.059 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.688 6.458 -7.029 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.399 7.688 -9.340 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.655 6.650 -8.624 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.305 5.921 -9.526 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.103 8.258 -8.542 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.196 8.859 -7.483 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.547 8.454 -9.180 1.00 0.00 H new ATOM 1248 N LEU C 36 5.145 5.774 -5.763 1.00 0.00 N ATOM 1249 CA LEU C 36 6.584 5.669 -5.552 1.00 0.00 C ATOM 1250 C LEU C 36 6.981 4.243 -5.179 1.00 0.00 C ATOM 1251 O LEU C 36 7.959 3.699 -5.699 1.00 0.00 O ATOM 1252 CB LEU C 36 7.018 6.628 -4.435 1.00 0.00 C ATOM 1253 CG LEU C 36 8.545 6.582 -4.260 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.244 7.060 -5.548 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.946 7.485 -3.086 1.00 0.00 C ATOM 0 H LEU C 36 4.662 6.399 -5.118 1.00 0.00 H new ATOM 0 HA LEU C 36 7.084 5.936 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.702 7.643 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.529 6.354 -3.500 1.00 0.00 H new ATOM 0 HG LEU C 36 8.852 5.556 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.325 7.023 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU C 36 8.961 6.412 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.941 8.084 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU C 36 10.028 7.456 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.632 8.509 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.463 7.133 -2.175 1.00 0.00 H new ATOM 1267 N HIS C 37 6.217 3.645 -4.276 1.00 0.00 N ATOM 1268 CA HIS C 37 6.493 2.288 -3.831 1.00 0.00 C ATOM 1269 C HIS C 37 6.386 1.318 -4.997 1.00 0.00 C ATOM 1270 O HIS C 37 7.182 0.386 -5.118 1.00 0.00 O ATOM 1271 CB HIS C 37 5.514 1.888 -2.731 1.00 0.00 C ATOM 1272 CG HIS C 37 5.830 0.492 -2.271 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.233 0.214 -0.977 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.817 -0.712 -2.922 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.445 -1.111 -0.895 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.203 -1.724 -2.052 1.00 0.00 N ATOM 0 H HIS C 37 5.403 4.077 -3.839 1.00 0.00 H new ATOM 0 HA HIS C 37 7.508 2.251 -3.435 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.584 2.584 -1.895 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.491 1.938 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.547 -0.854 -3.958 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.772 -1.617 0.001 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.284 -2.720 -2.255 1.00 0.00 H new ATOM 1284 N LEU C 38 5.395 1.539 -5.847 1.00 0.00 N ATOM 1285 CA LEU C 38 5.186 0.672 -6.996 1.00 0.00 C ATOM 1286 C LEU C 38 6.384 0.702 -7.924 1.00 0.00 C ATOM 1287 O LEU C 38 6.763 -0.320 -8.471 1.00 0.00 O ATOM 1288 CB LEU C 38 3.917 1.093 -7.761 1.00 0.00 C ATOM 1289 CG LEU C 38 2.678 0.400 -7.171 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.412 1.080 -7.704 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.665 -1.096 -7.556 1.00 0.00 C ATOM 0 H LEU C 38 4.727 2.306 -5.764 1.00 0.00 H new ATOM 0 HA LEU C 38 5.060 -0.347 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.796 2.175 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU C 38 4.018 0.835 -8.815 1.00 0.00 H new ATOM 0 HG LEU C 38 2.710 0.482 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.532 0.590 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.414 2.131 -7.414 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.388 1.004 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.782 -1.573 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.643 -1.192 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.561 -1.580 -7.167 1.00 0.00 H new ATOM 1303 N ILE C 39 6.975 1.864 -8.100 1.00 0.00 N ATOM 1304 CA ILE C 39 8.124 1.976 -8.981 1.00 0.00 C ATOM 1305 C ILE C 39 9.270 1.101 -8.472 1.00 0.00 C ATOM 1306 O ILE C 39 9.931 0.407 -9.243 1.00 0.00 O ATOM 1307 CB ILE C 39 8.570 3.438 -9.041 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.509 4.266 -9.773 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.906 3.545 -9.782 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.821 5.757 -9.622 1.00 0.00 C ATOM 0 H ILE C 39 6.687 2.735 -7.653 1.00 0.00 H new ATOM 0 HA ILE C 39 7.847 1.636 -9.979 1.00 0.00 H new ATOM 0 HB ILE C 39 8.693 3.818 -8.027 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.487 3.995 -10.828 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.521 4.049 -9.367 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.218 4.589 -9.821 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.661 2.960 -9.257 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.791 3.162 -10.796 1.00 0.00 H new ATOM 0 HD11 ILE C 39 7.064 6.342 -10.144 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.820 6.024 -8.565 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.801 5.969 -10.049 1.00 0.00 H new ATOM 1322 N LEU C 40 9.513 1.148 -7.175 1.00 0.00 N ATOM 1323 CA LEU C 40 10.587 0.350 -6.593 1.00 0.00 C ATOM 1324 C LEU C 40 10.199 -1.124 -6.517 1.00 0.00 C ATOM 1325 O LEU C 40 11.012 -2.011 -6.790 1.00 0.00 O ATOM 1326 CB LEU C 40 10.911 0.869 -5.195 1.00 0.00 C ATOM 1327 CG LEU C 40 11.401 2.321 -5.287 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.601 2.878 -3.874 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.729 2.397 -6.074 1.00 0.00 C ATOM 0 H LEU C 40 8.993 1.720 -6.510 1.00 0.00 H new ATOM 0 HA LEU C 40 11.465 0.439 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.026 0.812 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.676 0.245 -4.732 1.00 0.00 H new ATOM 0 HG LEU C 40 10.654 2.915 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.949 3.909 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.655 2.846 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.341 2.276 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU C 40 13.061 3.434 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.487 1.800 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.577 2.011 -7.082 1.00 0.00 H new ATOM 1341 N TRP C 41 8.958 -1.377 -6.131 1.00 0.00 N ATOM 1342 CA TRP C 41 8.472 -2.746 -6.002 1.00 0.00 C ATOM 1343 C TRP C 41 8.319 -3.426 -7.361 1.00 0.00 C ATOM 1344 O TRP C 41 8.736 -4.570 -7.540 1.00 0.00 O ATOM 1345 CB TRP C 41 7.137 -2.754 -5.254 1.00 0.00 C ATOM 1346 CG TRP C 41 6.571 -4.139 -5.259 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.911 -5.122 -4.392 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.532 -4.692 -6.118 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.185 -6.257 -4.705 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.314 -6.036 -5.749 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.775 -4.164 -7.182 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.379 -6.828 -6.408 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.823 -4.961 -7.836 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.629 -6.288 -7.449 1.00 0.00 C ATOM 0 H TRP C 41 8.271 -0.659 -5.902 1.00 0.00 H new ATOM 0 HA TRP C 41 9.212 -3.311 -5.435 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.280 -2.412 -4.229 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.439 -2.063 -5.726 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.629 -5.034 -3.590 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.283 -7.150 -4.221 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.928 -3.142 -7.496 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.236 -7.857 -6.113 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.237 -4.546 -8.643 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.896 -6.897 -7.958 1.00 0.00 H new ATOM 1365 N ILE C 42 7.711 -2.725 -8.299 1.00 0.00 N ATOM 1366 CA ILE C 42 7.494 -3.280 -9.623 1.00 0.00 C ATOM 1367 C ILE C 42 8.827 -3.602 -10.287 1.00 0.00 C ATOM 1368 O ILE C 42 8.959 -4.612 -10.976 1.00 0.00 O ATOM 1369 CB ILE C 42 6.705 -2.278 -10.481 1.00 0.00 C ATOM 1370 CG1 ILE C 42 6.164 -2.990 -11.726 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.615 -1.111 -10.908 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.085 -4.024 -11.342 1.00 0.00 C ATOM 0 H ILE C 42 7.360 -1.776 -8.171 1.00 0.00 H new ATOM 0 HA ILE C 42 6.921 -4.203 -9.531 1.00 0.00 H new ATOM 0 HB ILE C 42 5.876 -1.882 -9.895 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.743 -2.258 -12.415 1.00 0.00 H new ATOM 0 HG13 ILE C 42 6.981 -3.487 -12.249 1.00 0.00 H new ATOM 0 HG21 ILE C 42 7.045 -0.408 -11.515 1.00 0.00 H new ATOM 0 HG22 ILE C 42 7.993 -0.601 -10.022 1.00 0.00 H new ATOM 0 HG23 ILE C 42 8.452 -1.497 -11.490 1.00 0.00 H new ATOM 0 HD11 ILE C 42 4.716 -4.516 -12.242 1.00 0.00 H new ATOM 0 HD12 ILE C 42 5.516 -4.768 -10.672 1.00 0.00 H new ATOM 0 HD13 ILE C 42 4.259 -3.519 -10.840 1.00 0.00 H new ATOM 1384 N LEU C 43 9.808 -2.737 -10.071 1.00 0.00 N ATOM 1385 CA LEU C 43 11.127 -2.937 -10.654 1.00 0.00 C ATOM 1386 C LEU C 43 11.743 -4.227 -10.128 1.00 0.00 C ATOM 1387 O LEU C 43 12.385 -4.967 -10.869 1.00 0.00 O ATOM 1388 CB LEU C 43 12.034 -1.744 -10.317 1.00 0.00 C ATOM 1389 CG LEU C 43 11.742 -0.574 -11.278 1.00 0.00 C ATOM 1390 CD1 LEU C 43 12.430 0.695 -10.756 1.00 0.00 C ATOM 1391 CD2 LEU C 43 12.249 -0.900 -12.708 1.00 0.00 C ATOM 0 H LEU C 43 9.717 -1.896 -9.501 1.00 0.00 H new ATOM 0 HA LEU C 43 11.027 -3.012 -11.737 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.868 -1.430 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU C 43 13.081 -2.038 -10.396 1.00 0.00 H new ATOM 0 HG LEU C 43 10.665 -0.415 -11.325 1.00 0.00 H new ATOM 0 HD11 LEU C 43 12.226 1.524 -11.433 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.048 0.934 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.506 0.529 -10.700 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.033 -0.062 -13.370 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.325 -1.074 -12.682 1.00 0.00 H new ATOM 0 HD23 LEU C 43 11.746 -1.793 -13.078 1.00 0.00 H new ATOM 1403 N ASP C 44 11.548 -4.490 -8.848 1.00 0.00 N ATOM 1404 CA ASP C 44 12.094 -5.695 -8.249 1.00 0.00 C ATOM 1405 C ASP C 44 11.502 -6.936 -8.908 1.00 0.00 C ATOM 1406 O ASP C 44 12.201 -7.923 -9.139 1.00 0.00 O ATOM 1407 CB ASP C 44 11.789 -5.712 -6.753 1.00 0.00 C ATOM 1408 CG ASP C 44 12.281 -7.016 -6.137 1.00 0.00 C ATOM 1409 OD1 ASP C 44 13.012 -7.727 -6.806 1.00 0.00 O ATOM 1410 OD2 ASP C 44 11.920 -7.282 -5.002 1.00 0.00 O ATOM 0 H ASP C 44 11.022 -3.893 -8.209 1.00 0.00 H new ATOM 0 HA ASP C 44 13.173 -5.700 -8.400 1.00 0.00 H new ATOM 0 HB2 ASP C 44 12.271 -4.865 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP C 44 10.716 -5.605 -6.591 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.418 8.617 8.540 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.483 9.323 7.675 1.00 0.00 C ATOM 1630 C VAL D 27 -5.058 9.188 8.206 1.00 0.00 C ATOM 1631 O VAL D 27 -4.124 8.913 7.450 1.00 0.00 O ATOM 1632 CB VAL D 27 -6.868 10.803 7.593 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -5.818 11.559 6.778 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.234 10.936 6.915 1.00 0.00 C ATOM 0 HA VAL D 27 -6.528 8.882 6.679 1.00 0.00 H new ATOM 0 HB VAL D 27 -6.918 11.223 8.598 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.092 12.612 6.720 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -4.845 11.463 7.260 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -5.767 11.141 5.773 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -8.510 11.989 6.856 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.184 10.517 5.910 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -8.983 10.397 7.496 1.00 0.00 H new ATOM 1644 N VAL D 28 -4.900 9.382 9.511 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.586 9.283 10.134 1.00 0.00 C ATOM 1646 C VAL D 28 -3.046 7.862 10.014 1.00 0.00 C ATOM 1647 O VAL D 28 -1.880 7.659 9.679 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.673 9.679 11.610 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.313 9.470 12.277 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.074 11.152 11.721 1.00 0.00 C ATOM 0 H VAL D 28 -5.660 9.607 10.153 1.00 0.00 H new ATOM 0 HA VAL D 28 -2.907 9.963 9.619 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.420 9.060 12.107 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.376 9.752 13.328 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.027 8.421 12.199 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.565 10.088 11.780 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.136 11.434 12.772 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.328 11.771 11.223 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.044 11.302 11.247 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.901 6.884 10.290 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.497 5.487 10.209 1.00 0.00 C ATOM 1662 C ALA D 29 -3.051 5.141 8.794 1.00 0.00 C ATOM 1663 O ALA D 29 -2.074 4.423 8.602 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.663 4.581 10.613 1.00 0.00 C ATOM 0 H ALA D 29 -4.871 7.031 10.570 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.661 5.330 10.891 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.352 3.538 10.550 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.963 4.809 11.636 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.505 4.750 9.942 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.771 5.660 7.808 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.433 5.393 6.415 1.00 0.00 C ATOM 1672 C ALA D 30 -1.984 5.771 6.130 1.00 0.00 C ATOM 1673 O ALA D 30 -1.231 4.985 5.555 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.356 6.192 5.497 1.00 0.00 C ATOM 0 H ALA D 30 -4.584 6.261 7.943 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.561 4.327 6.228 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.100 5.989 4.457 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.391 5.901 5.679 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.237 7.257 5.699 1.00 0.00 H new ATOM 1680 N SER D 31 -1.599 6.974 6.537 1.00 0.00 N ATOM 1681 CA SER D 31 -0.233 7.441 6.320 1.00 0.00 C ATOM 1682 C SER D 31 0.761 6.582 7.096 1.00 0.00 C ATOM 1683 O SER D 31 1.840 6.258 6.598 1.00 0.00 O ATOM 1684 CB SER D 31 -0.106 8.896 6.763 1.00 0.00 C ATOM 1685 OG SER D 31 -0.466 9.002 8.133 1.00 0.00 O ATOM 0 H SER D 31 -2.206 7.640 7.015 1.00 0.00 H new ATOM 0 HA SER D 31 -0.007 7.362 5.257 1.00 0.00 H new ATOM 0 HB2 SER D 31 0.916 9.245 6.615 1.00 0.00 H new ATOM 0 HB3 SER D 31 -0.751 9.531 6.155 1.00 0.00 H new ATOM 0 HG SER D 31 -1.130 8.315 8.351 1.00 0.00 H new ATOM 1691 N ILE D 32 0.390 6.218 8.320 1.00 0.00 N ATOM 1692 CA ILE D 32 1.252 5.396 9.159 1.00 0.00 C ATOM 1693 C ILE D 32 1.440 4.013 8.545 1.00 0.00 C ATOM 1694 O ILE D 32 2.543 3.480 8.535 1.00 0.00 O ATOM 1695 CB ILE D 32 0.655 5.258 10.563 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.691 6.619 11.260 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.475 4.247 11.375 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.113 6.548 12.561 1.00 0.00 C ATOM 0 H ILE D 32 -0.497 6.478 8.750 1.00 0.00 H new ATOM 0 HA ILE D 32 2.223 5.886 9.229 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.375 4.909 10.489 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.722 6.904 11.472 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.277 7.386 10.605 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.048 4.151 12.373 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.455 3.278 10.877 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.506 4.593 11.453 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.087 7.518 13.058 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.146 6.282 12.336 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.321 5.793 13.216 1.00 0.00 H new ATOM 1710 N ILE D 33 0.357 3.436 8.042 1.00 0.00 N ATOM 1711 CA ILE D 33 0.426 2.110 7.445 1.00 0.00 C ATOM 1712 C ILE D 33 1.372 2.104 6.249 1.00 0.00 C ATOM 1713 O ILE D 33 2.184 1.192 6.093 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.976 1.678 6.992 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.851 1.394 8.218 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.885 0.414 6.124 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -3.322 1.353 7.795 1.00 0.00 C ATOM 0 H ILE D 33 -0.571 3.860 8.035 1.00 0.00 H new ATOM 0 HA ILE D 33 0.805 1.412 8.192 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.420 2.482 6.406 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.565 0.445 8.671 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.700 2.165 8.973 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.885 0.117 5.808 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.273 0.619 5.246 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.432 -0.392 6.701 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.946 1.151 8.666 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.603 2.313 7.362 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -3.466 0.566 7.055 1.00 0.00 H new ATOM 1729 N GLY D 34 1.258 3.118 5.403 1.00 0.00 N ATOM 1730 CA GLY D 34 2.107 3.202 4.223 1.00 0.00 C ATOM 1731 C GLY D 34 3.565 3.436 4.605 1.00 0.00 C ATOM 1732 O GLY D 34 4.457 2.716 4.157 1.00 0.00 O ATOM 0 H GLY D 34 0.595 3.885 5.509 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.023 2.281 3.646 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.762 4.013 3.581 1.00 0.00 H new ATOM 1736 N ILE D 35 3.799 4.453 5.426 1.00 0.00 N ATOM 1737 CA ILE D 35 5.156 4.778 5.849 1.00 0.00 C ATOM 1738 C ILE D 35 5.745 3.657 6.701 1.00 0.00 C ATOM 1739 O ILE D 35 6.897 3.273 6.523 1.00 0.00 O ATOM 1740 CB ILE D 35 5.149 6.079 6.657 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.762 7.242 5.738 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.548 6.335 7.237 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.467 8.485 6.580 1.00 0.00 C ATOM 0 H ILE D 35 3.075 5.061 5.809 1.00 0.00 H new ATOM 0 HA ILE D 35 5.771 4.899 4.958 1.00 0.00 H new ATOM 0 HB ILE D 35 4.429 5.996 7.471 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.570 7.449 5.037 1.00 0.00 H new ATOM 0 HG13 ILE D 35 3.887 6.975 5.146 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.540 7.261 7.811 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.829 5.507 7.888 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.269 6.419 6.424 1.00 0.00 H new ATOM 0 HD11 ILE D 35 4.192 9.311 5.925 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.644 8.275 7.264 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.354 8.756 7.152 1.00 0.00 H new ATOM 1755 N LEU D 36 4.951 3.148 7.633 1.00 0.00 N ATOM 1756 CA LEU D 36 5.420 2.086 8.515 1.00 0.00 C ATOM 1757 C LEU D 36 5.770 0.830 7.722 1.00 0.00 C ATOM 1758 O LEU D 36 6.805 0.200 7.952 1.00 0.00 O ATOM 1759 CB LEU D 36 4.337 1.751 9.550 1.00 0.00 C ATOM 1760 CG LEU D 36 4.852 0.684 10.530 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.063 1.224 11.316 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.727 0.308 11.502 1.00 0.00 C ATOM 0 H LEU D 36 3.990 3.448 7.798 1.00 0.00 H new ATOM 0 HA LEU D 36 6.318 2.438 9.022 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.055 2.651 10.096 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.441 1.390 9.046 1.00 0.00 H new ATOM 0 HG LEU D 36 5.164 -0.198 9.971 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.419 0.459 12.007 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.861 1.485 10.621 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.767 2.110 11.877 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.087 -0.449 12.200 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.414 1.193 12.056 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.880 -0.088 10.942 1.00 0.00 H new ATOM 1774 N HIS D 37 4.898 0.473 6.788 1.00 0.00 N ATOM 1775 CA HIS D 37 5.113 -0.710 5.968 1.00 0.00 C ATOM 1776 C HIS D 37 6.378 -0.557 5.140 1.00 0.00 C ATOM 1777 O HIS D 37 7.139 -1.509 4.968 1.00 0.00 O ATOM 1778 CB HIS D 37 3.916 -0.934 5.050 1.00 0.00 C ATOM 1779 CG HIS D 37 4.148 -2.168 4.224 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.334 -3.281 4.317 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.105 -2.484 3.296 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.814 -4.206 3.467 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.890 -3.769 2.818 1.00 0.00 N ATOM 0 H HIS D 37 4.040 0.983 6.581 1.00 0.00 H new ATOM 0 HA HIS D 37 5.226 -1.573 6.625 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.006 -1.043 5.640 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.774 -0.070 4.401 1.00 0.00 H new ATOM 0 HD2 HIS D 37 5.906 -1.831 2.983 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.379 -5.185 3.328 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.439 -4.270 2.120 1.00 0.00 H new ATOM 1791 N LEU D 38 6.595 0.644 4.626 1.00 0.00 N ATOM 1792 CA LEU D 38 7.767 0.908 3.807 1.00 0.00 C ATOM 1793 C LEU D 38 9.041 0.693 4.601 1.00 0.00 C ATOM 1794 O LEU D 38 10.012 0.178 4.075 1.00 0.00 O ATOM 1795 CB LEU D 38 7.723 2.346 3.258 1.00 0.00 C ATOM 1796 CG LEU D 38 6.946 2.394 1.933 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.626 3.851 1.583 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.777 1.762 0.796 1.00 0.00 C ATOM 0 H LEU D 38 5.979 1.446 4.760 1.00 0.00 H new ATOM 0 HA LEU D 38 7.761 0.209 2.971 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.251 3.005 3.987 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.737 2.714 3.105 1.00 0.00 H new ATOM 0 HG LEU D 38 6.021 1.829 2.047 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.075 3.887 0.643 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.021 4.291 2.376 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.554 4.413 1.481 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.212 1.805 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.711 2.312 0.679 1.00 0.00 H new ATOM 0 HD23 LEU D 38 7.996 0.723 1.040 1.00 0.00 H new ATOM 1810 N ILE D 39 9.037 1.087 5.855 1.00 0.00 N ATOM 1811 CA ILE D 39 10.220 0.923 6.678 1.00 0.00 C ATOM 1812 C ILE D 39 10.583 -0.558 6.798 1.00 0.00 C ATOM 1813 O ILE D 39 11.748 -0.938 6.695 1.00 0.00 O ATOM 1814 CB ILE D 39 9.952 1.507 8.066 1.00 0.00 C ATOM 1815 CG1 ILE D 39 9.829 3.030 7.964 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.100 1.147 9.015 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.317 3.600 9.292 1.00 0.00 C ATOM 0 H ILE D 39 8.241 1.518 6.325 1.00 0.00 H new ATOM 0 HA ILE D 39 11.055 1.448 6.214 1.00 0.00 H new ATOM 0 HB ILE D 39 9.023 1.091 8.456 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.797 3.467 7.720 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.147 3.296 7.157 1.00 0.00 H new ATOM 0 HG21 ILE D 39 10.902 1.566 10.001 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.182 0.063 9.092 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.034 1.555 8.628 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.231 4.684 9.214 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.339 3.174 9.518 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.016 3.348 10.090 1.00 0.00 H new ATOM 1829 N LEU D 40 9.583 -1.391 7.029 1.00 0.00 N ATOM 1830 CA LEU D 40 9.826 -2.824 7.158 1.00 0.00 C ATOM 1831 C LEU D 40 10.108 -3.462 5.800 1.00 0.00 C ATOM 1832 O LEU D 40 10.984 -4.322 5.669 1.00 0.00 O ATOM 1833 CB LEU D 40 8.616 -3.493 7.800 1.00 0.00 C ATOM 1834 CG LEU D 40 8.402 -2.922 9.210 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.115 -3.504 9.802 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.601 -3.268 10.122 1.00 0.00 C ATOM 0 H LEU D 40 8.608 -1.109 7.130 1.00 0.00 H new ATOM 0 HA LEU D 40 10.704 -2.966 7.788 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.728 -3.326 7.190 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.768 -4.571 7.852 1.00 0.00 H new ATOM 0 HG LEU D 40 8.319 -1.837 9.145 1.00 0.00 H new ATOM 0 HD11 LEU D 40 6.960 -3.101 10.803 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.270 -3.237 9.168 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.198 -4.589 9.857 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.432 -2.856 11.117 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.705 -4.351 10.191 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.512 -2.842 9.702 1.00 0.00 H new ATOM 1848 N TRP D 41 9.352 -3.044 4.796 1.00 0.00 N ATOM 1849 CA TRP D 41 9.512 -3.592 3.454 1.00 0.00 C ATOM 1850 C TRP D 41 10.820 -3.141 2.809 1.00 0.00 C ATOM 1851 O TRP D 41 11.544 -3.947 2.225 1.00 0.00 O ATOM 1852 CB TRP D 41 8.324 -3.180 2.581 1.00 0.00 C ATOM 1853 CG TRP D 41 8.567 -3.613 1.171 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.324 -4.851 0.683 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.039 -2.817 0.046 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.673 -4.878 -0.655 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.102 -3.644 -1.094 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.426 -1.471 -0.090 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.533 -3.158 -2.324 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.848 -0.978 -1.335 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.900 -1.822 -2.446 1.00 0.00 C ATOM 0 H TRP D 41 8.626 -2.332 4.882 1.00 0.00 H new ATOM 0 HA TRP D 41 9.545 -4.678 3.538 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.407 -3.633 2.959 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.186 -2.100 2.622 1.00 0.00 H new ATOM 0 HD1 TRP D 41 7.923 -5.681 1.245 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.619 -5.709 -1.244 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.398 -0.814 0.767 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.582 -3.815 -3.180 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.134 0.059 -1.434 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.226 -1.437 -3.401 1.00 0.00 H new ATOM 1872 N ILE D 42 11.105 -1.855 2.905 1.00 0.00 N ATOM 1873 CA ILE D 42 12.313 -1.309 2.312 1.00 0.00 C ATOM 1874 C ILE D 42 13.545 -1.953 2.937 1.00 0.00 C ATOM 1875 O ILE D 42 14.528 -2.229 2.249 1.00 0.00 O ATOM 1876 CB ILE D 42 12.351 0.214 2.519 1.00 0.00 C ATOM 1877 CG1 ILE D 42 13.410 0.827 1.596 1.00 0.00 C ATOM 1878 CG2 ILE D 42 12.691 0.543 3.984 1.00 0.00 C ATOM 1879 CD1 ILE D 42 12.994 0.697 0.118 1.00 0.00 C ATOM 0 H ILE D 42 10.520 -1.172 3.386 1.00 0.00 H new ATOM 0 HA ILE D 42 12.312 -1.524 1.243 1.00 0.00 H new ATOM 0 HB ILE D 42 11.372 0.630 2.282 1.00 0.00 H new ATOM 0 HG12 ILE D 42 13.552 1.878 1.847 1.00 0.00 H new ATOM 0 HG13 ILE D 42 14.367 0.330 1.754 1.00 0.00 H new ATOM 0 HG21 ILE D 42 12.715 1.624 4.118 1.00 0.00 H new ATOM 0 HG22 ILE D 42 11.933 0.113 4.639 1.00 0.00 H new ATOM 0 HG23 ILE D 42 13.666 0.125 4.234 1.00 0.00 H new ATOM 0 HD11 ILE D 42 13.762 1.139 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE D 42 12.876 -0.357 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.049 1.216 -0.041 1.00 0.00 H new ATOM 1891 N LEU D 43 13.483 -2.188 4.241 1.00 0.00 N ATOM 1892 CA LEU D 43 14.598 -2.798 4.948 1.00 0.00 C ATOM 1893 C LEU D 43 14.866 -4.194 4.404 1.00 0.00 C ATOM 1894 O LEU D 43 16.014 -4.602 4.248 1.00 0.00 O ATOM 1895 CB LEU D 43 14.289 -2.867 6.450 1.00 0.00 C ATOM 1896 CG LEU D 43 14.561 -1.498 7.105 1.00 0.00 C ATOM 1897 CD1 LEU D 43 13.976 -1.490 8.525 1.00 0.00 C ATOM 1898 CD2 LEU D 43 16.086 -1.212 7.161 1.00 0.00 C ATOM 0 H LEU D 43 12.677 -1.967 4.826 1.00 0.00 H new ATOM 0 HA LEU D 43 15.488 -2.188 4.796 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.248 -3.153 6.603 1.00 0.00 H new ATOM 0 HB3 LEU D 43 14.903 -3.634 6.922 1.00 0.00 H new ATOM 0 HG LEU D 43 14.087 -0.719 6.508 1.00 0.00 H new ATOM 0 HD11 LEU D 43 14.166 -0.523 8.992 1.00 0.00 H new ATOM 0 HD12 LEU D 43 12.901 -1.664 8.477 1.00 0.00 H new ATOM 0 HD13 LEU D 43 14.445 -2.277 9.116 1.00 0.00 H new ATOM 0 HD21 LEU D 43 16.257 -0.241 7.627 1.00 0.00 H new ATOM 0 HD22 LEU D 43 16.580 -1.987 7.746 1.00 0.00 H new ATOM 0 HD23 LEU D 43 16.492 -1.206 6.150 1.00 0.00 H new ATOM 1910 N ASP D 44 13.801 -4.926 4.114 1.00 0.00 N ATOM 1911 CA ASP D 44 13.950 -6.272 3.589 1.00 0.00 C ATOM 1912 C ASP D 44 14.677 -6.246 2.249 1.00 0.00 C ATOM 1913 O ASP D 44 15.506 -7.111 1.964 1.00 0.00 O ATOM 1914 CB ASP D 44 12.575 -6.911 3.414 1.00 0.00 C ATOM 1915 CG ASP D 44 12.717 -8.290 2.783 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.833 -8.780 2.723 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.708 -8.837 2.371 1.00 0.00 O ATOM 0 H ASP D 44 12.837 -4.615 4.232 1.00 0.00 H new ATOM 0 HA ASP D 44 14.538 -6.858 4.295 1.00 0.00 H new ATOM 0 HB2 ASP D 44 12.078 -6.994 4.381 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.948 -6.278 2.786 1.00 0.00 H new