USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 330 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 168 SER OG : rot 35:sc= 0.057 USER MOD Single : A 172 SER OG : rot 78:sc= 1.19 USER MOD Single : A 173 HIS : no HE2:sc= -1.07! C(o=-1.1!,f=-3.7!) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= -0.0133 USER MOD Single : B 172 SER OG : rot 75:sc= 0.24 USER MOD Single : B 173 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-3.2!) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -5.203 8.190 -1.268 1.00 0.76 N ATOM 223 CA SER A 168 -4.520 7.669 -0.089 1.00 0.70 C ATOM 224 C SER A 168 -3.724 6.411 -0.429 1.00 0.57 C ATOM 225 O SER A 168 -2.597 6.235 0.034 1.00 0.51 O ATOM 226 CB SER A 168 -5.531 7.364 1.017 1.00 0.82 C ATOM 227 OG SER A 168 -6.250 8.529 1.386 1.00 1.39 O ATOM 0 HA SER A 168 -3.824 8.431 0.263 1.00 0.70 H new ATOM 0 HB2 SER A 168 -6.226 6.596 0.677 1.00 0.82 H new ATOM 0 HB3 SER A 168 -5.012 6.962 1.887 1.00 0.82 H new ATOM 0 HG SER A 168 -6.390 9.091 0.596 1.00 1.39 H new ATOM 233 N LEU A 169 -4.320 5.539 -1.235 1.00 0.58 N ATOM 234 CA LEU A 169 -3.669 4.296 -1.634 1.00 0.51 C ATOM 235 C LEU A 169 -2.347 4.568 -2.344 1.00 0.41 C ATOM 236 O LEU A 169 -1.332 3.938 -2.047 1.00 0.36 O ATOM 237 CB LEU A 169 -4.591 3.484 -2.546 1.00 0.64 C ATOM 238 CG LEU A 169 -5.902 3.035 -1.901 1.00 0.77 C ATOM 239 CD1 LEU A 169 -6.718 2.202 -2.877 1.00 1.07 C ATOM 240 CD2 LEU A 169 -5.626 2.250 -0.628 1.00 0.81 C ATOM 0 H LEU A 169 -5.253 5.670 -1.625 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.460 3.723 -0.730 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -4.823 4.081 -3.428 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -4.052 2.602 -2.891 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.480 3.921 -1.640 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -7.648 1.891 -2.401 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -6.945 2.797 -3.762 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -6.147 1.320 -3.169 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -6.570 1.938 -0.181 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -5.028 1.370 -0.866 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -5.082 2.879 0.076 1.00 0.81 H new ATOM 252 N LEU A 170 -2.362 5.513 -3.277 1.00 0.46 N ATOM 253 CA LEU A 170 -1.162 5.857 -4.030 1.00 0.47 C ATOM 254 C LEU A 170 -0.064 6.378 -3.107 1.00 0.38 C ATOM 255 O LEU A 170 1.065 5.891 -3.133 1.00 0.39 O ATOM 256 CB LEU A 170 -1.484 6.902 -5.103 1.00 0.60 C ATOM 257 CG LEU A 170 -2.289 6.386 -6.300 1.00 0.73 C ATOM 258 CD1 LEU A 170 -3.605 5.777 -5.846 1.00 0.88 C ATOM 259 CD2 LEU A 170 -2.537 7.508 -7.296 1.00 1.12 C ATOM 0 H LEU A 170 -3.189 6.053 -3.530 1.00 0.46 H new ATOM 0 HA LEU A 170 -0.801 4.950 -4.515 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -2.038 7.717 -4.638 1.00 0.60 H new ATOM 0 HB3 LEU A 170 -0.548 7.322 -5.470 1.00 0.60 H new ATOM 0 HG LEU A 170 -1.707 5.607 -6.792 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -4.158 5.418 -6.714 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -3.407 4.944 -5.172 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -4.195 6.532 -5.326 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -3.110 7.125 -8.140 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -3.096 8.308 -6.811 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -1.583 7.896 -7.652 1.00 1.12 H new ATOM 271 N LEU A 171 -0.405 7.366 -2.286 1.00 0.36 N ATOM 272 CA LEU A 171 0.555 7.951 -1.356 1.00 0.37 C ATOM 273 C LEU A 171 1.133 6.891 -0.424 1.00 0.32 C ATOM 274 O LEU A 171 2.346 6.818 -0.227 1.00 0.35 O ATOM 275 CB LEU A 171 -0.107 9.059 -0.536 1.00 0.44 C ATOM 276 CG LEU A 171 -0.593 10.260 -1.348 1.00 0.54 C ATOM 277 CD1 LEU A 171 -1.241 11.294 -0.441 1.00 0.64 C ATOM 278 CD2 LEU A 171 0.562 10.877 -2.123 1.00 0.62 C ATOM 0 H LEU A 171 -1.337 7.778 -2.245 1.00 0.36 H new ATOM 0 HA LEU A 171 1.371 8.377 -1.940 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -0.955 8.635 0.001 1.00 0.44 H new ATOM 0 HB3 LEU A 171 0.603 9.409 0.214 1.00 0.44 H new ATOM 0 HG LEU A 171 -1.342 9.914 -2.060 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -1.580 12.140 -1.038 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -2.093 10.846 0.070 1.00 0.64 H new ATOM 0 HD13 LEU A 171 -0.515 11.637 0.296 1.00 0.64 H new ATOM 0 HD21 LEU A 171 0.201 11.731 -2.696 1.00 0.62 H new ATOM 0 HD22 LEU A 171 1.332 11.208 -1.426 1.00 0.62 H new ATOM 0 HD23 LEU A 171 0.982 10.135 -2.803 1.00 0.62 H new ATOM 290 N SER A 172 0.258 6.069 0.145 1.00 0.28 N ATOM 291 CA SER A 172 0.682 5.013 1.057 1.00 0.29 C ATOM 292 C SER A 172 1.673 4.070 0.382 1.00 0.25 C ATOM 293 O SER A 172 2.753 3.807 0.911 1.00 0.27 O ATOM 294 CB SER A 172 -0.531 4.226 1.558 1.00 0.35 C ATOM 295 OG SER A 172 -1.443 5.072 2.235 1.00 0.42 O ATOM 0 H SER A 172 -0.749 6.114 -0.009 1.00 0.28 H new ATOM 0 HA SER A 172 1.179 5.481 1.906 1.00 0.29 H new ATOM 0 HB2 SER A 172 -1.031 3.747 0.716 1.00 0.35 H new ATOM 0 HB3 SER A 172 -0.202 3.431 2.227 1.00 0.35 H new ATOM 0 HG SER A 172 -1.960 5.586 1.580 1.00 0.42 H new ATOM 301 N HIS A 173 1.300 3.563 -0.788 1.00 0.23 N ATOM 302 CA HIS A 173 2.159 2.648 -1.530 1.00 0.24 C ATOM 303 C HIS A 173 3.495 3.303 -1.873 1.00 0.22 C ATOM 304 O HIS A 173 4.557 2.741 -1.603 1.00 0.24 O ATOM 305 CB HIS A 173 1.460 2.176 -2.807 1.00 0.31 C ATOM 306 CG HIS A 173 0.298 1.266 -2.550 1.00 0.37 C ATOM 307 ND1 HIS A 173 -0.999 1.583 -2.896 1.00 0.42 N ATOM 308 CD2 HIS A 173 0.244 0.039 -1.979 1.00 0.52 C ATOM 309 CE1 HIS A 173 -1.799 0.591 -2.547 1.00 0.48 C ATOM 310 NE2 HIS A 173 -1.071 -0.357 -1.990 1.00 0.53 N ATOM 0 H HIS A 173 0.410 3.770 -1.242 1.00 0.23 H new ATOM 0 HA HIS A 173 2.356 1.784 -0.895 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.114 3.046 -3.365 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.183 1.660 -3.438 1.00 0.31 H new ATOM 0 HD1 HIS A 173 -1.294 2.447 -3.350 1.00 0.42 H new ATOM 0 HD2 HIS A 173 1.079 -0.523 -1.588 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -2.869 0.562 -2.693 1.00 0.48 H new ATOM 319 N LEU A 174 3.439 4.491 -2.468 1.00 0.22 N ATOM 320 CA LEU A 174 4.651 5.211 -2.840 1.00 0.26 C ATOM 321 C LEU A 174 5.589 5.347 -1.645 1.00 0.24 C ATOM 322 O LEU A 174 6.770 5.010 -1.727 1.00 0.29 O ATOM 323 CB LEU A 174 4.304 6.596 -3.392 1.00 0.31 C ATOM 324 CG LEU A 174 3.582 6.596 -4.740 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.300 8.019 -5.194 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.404 5.855 -5.785 1.00 0.42 C ATOM 0 H LEU A 174 2.571 4.973 -2.702 1.00 0.22 H new ATOM 0 HA LEU A 174 5.158 4.638 -3.616 1.00 0.26 H new ATOM 0 HB2 LEU A 174 3.680 7.114 -2.664 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.224 7.172 -3.491 1.00 0.31 H new ATOM 0 HG LEU A 174 2.630 6.079 -4.621 1.00 0.36 H new ATOM 0 HD11 LEU A 174 2.786 7.999 -6.155 1.00 0.42 H new ATOM 0 HD12 LEU A 174 2.672 8.518 -4.457 1.00 0.42 H new ATOM 0 HD13 LEU A 174 4.240 8.561 -5.297 1.00 0.42 H new ATOM 0 HD21 LEU A 174 3.875 5.865 -6.738 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.371 6.345 -5.902 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.555 4.824 -5.465 1.00 0.42 H new ATOM 338 N LEU A 175 5.053 5.843 -0.534 1.00 0.23 N ATOM 339 CA LEU A 175 5.841 6.022 0.680 1.00 0.27 C ATOM 340 C LEU A 175 6.436 4.695 1.141 1.00 0.24 C ATOM 341 O LEU A 175 7.596 4.632 1.548 1.00 0.27 O ATOM 342 CB LEU A 175 4.978 6.623 1.792 1.00 0.32 C ATOM 343 CG LEU A 175 4.508 8.057 1.546 1.00 0.37 C ATOM 344 CD1 LEU A 175 3.665 8.550 2.712 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.699 8.978 1.322 1.00 0.46 C ATOM 0 H LEU A 175 4.077 6.128 -0.450 1.00 0.23 H new ATOM 0 HA LEU A 175 6.658 6.708 0.456 1.00 0.27 H new ATOM 0 HB2 LEU A 175 4.102 5.990 1.933 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.544 6.597 2.723 1.00 0.32 H new ATOM 0 HG LEU A 175 3.891 8.067 0.647 1.00 0.37 H new ATOM 0 HD11 LEU A 175 3.340 9.572 2.519 1.00 0.46 H new ATOM 0 HD12 LEU A 175 2.792 7.907 2.828 1.00 0.46 H new ATOM 0 HD13 LEU A 175 4.258 8.524 3.626 1.00 0.46 H new ATOM 0 HD21 LEU A 175 5.345 9.994 1.149 1.00 0.46 H new ATOM 0 HD22 LEU A 175 6.341 8.963 2.202 1.00 0.46 H new ATOM 0 HD23 LEU A 175 6.264 8.637 0.454 1.00 0.46 H new ATOM 357 N ALA A 176 5.634 3.637 1.076 1.00 0.21 N ATOM 358 CA ALA A 176 6.086 2.312 1.485 1.00 0.21 C ATOM 359 C ALA A 176 7.394 1.949 0.791 1.00 0.19 C ATOM 360 O ALA A 176 8.371 1.573 1.440 1.00 0.21 O ATOM 361 CB ALA A 176 5.017 1.272 1.183 1.00 0.21 C ATOM 0 H ALA A 176 4.670 3.671 0.745 1.00 0.21 H new ATOM 0 HA ALA A 176 6.264 2.327 2.560 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.369 0.288 1.494 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.105 1.520 1.726 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.811 1.262 0.113 1.00 0.21 H new ATOM 367 N ILE A 177 7.410 2.068 -0.535 1.00 0.18 N ATOM 368 CA ILE A 177 8.603 1.762 -1.313 1.00 0.20 C ATOM 369 C ILE A 177 9.772 2.627 -0.855 1.00 0.21 C ATOM 370 O ILE A 177 10.900 2.152 -0.732 1.00 0.23 O ATOM 371 CB ILE A 177 8.366 1.976 -2.823 1.00 0.23 C ATOM 372 CG1 ILE A 177 7.225 1.079 -3.311 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.638 1.695 -3.610 1.00 0.27 C ATOM 374 CD1 ILE A 177 6.952 1.200 -4.795 1.00 0.47 C ATOM 0 H ILE A 177 6.611 2.374 -1.090 1.00 0.18 H new ATOM 0 HA ILE A 177 8.839 0.711 -1.148 1.00 0.20 H new ATOM 0 HB ILE A 177 8.086 3.017 -2.986 1.00 0.23 H new ATOM 0 HG12 ILE A 177 7.464 0.042 -3.077 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.317 1.328 -2.761 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.451 1.851 -4.672 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.428 2.369 -3.278 1.00 0.27 H new ATOM 0 HG23 ILE A 177 9.948 0.663 -3.444 1.00 0.27 H new ATOM 0 HD11 ILE A 177 6.132 0.536 -5.069 1.00 0.47 H new ATOM 0 HD12 ILE A 177 6.681 2.229 -5.032 1.00 0.47 H new ATOM 0 HD13 ILE A 177 7.846 0.922 -5.353 1.00 0.47 H new ATOM 386 N GLY A 178 9.490 3.902 -0.604 1.00 0.20 N ATOM 387 CA GLY A 178 10.523 4.811 -0.152 1.00 0.23 C ATOM 388 C GLY A 178 11.199 4.325 1.114 1.00 0.22 C ATOM 389 O GLY A 178 12.419 4.412 1.250 1.00 0.23 O ATOM 0 H GLY A 178 8.565 4.320 -0.706 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.269 4.930 -0.938 1.00 0.23 H new ATOM 0 HA3 GLY A 178 10.087 5.794 0.025 1.00 0.23 H new ATOM 393 N LEU A 179 10.400 3.807 2.044 1.00 0.21 N ATOM 394 CA LEU A 179 10.924 3.299 3.305 1.00 0.23 C ATOM 395 C LEU A 179 11.878 2.137 3.062 1.00 0.21 C ATOM 396 O LEU A 179 13.005 2.132 3.556 1.00 0.24 O ATOM 397 CB LEU A 179 9.782 2.846 4.215 1.00 0.27 C ATOM 398 CG LEU A 179 8.730 3.915 4.512 1.00 0.30 C ATOM 399 CD1 LEU A 179 7.701 3.392 5.502 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.389 5.179 5.041 1.00 0.36 C ATOM 0 H LEU A 179 9.388 3.729 1.946 1.00 0.21 H new ATOM 0 HA LEU A 179 11.470 4.106 3.793 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.289 1.990 3.755 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.204 2.501 5.159 1.00 0.27 H new ATOM 0 HG LEU A 179 8.216 4.160 3.582 1.00 0.30 H new ATOM 0 HD11 LEU A 179 6.961 4.167 5.701 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.206 2.516 5.083 1.00 0.36 H new ATOM 0 HD13 LEU A 179 8.198 3.118 6.433 1.00 0.36 H new ATOM 0 HD21 LEU A 179 8.625 5.929 5.247 1.00 0.36 H new ATOM 0 HD22 LEU A 179 9.930 4.950 5.959 1.00 0.36 H new ATOM 0 HD23 LEU A 179 10.085 5.565 4.297 1.00 0.36 H new ATOM 412 N GLY A 180 11.418 1.153 2.293 1.00 0.20 N ATOM 413 CA GLY A 180 12.243 -0.004 1.999 1.00 0.23 C ATOM 414 C GLY A 180 13.611 0.381 1.475 1.00 0.24 C ATOM 415 O GLY A 180 14.632 -0.081 1.986 1.00 0.28 O ATOM 0 H GLY A 180 10.490 1.137 1.869 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.358 -0.604 2.902 1.00 0.23 H new ATOM 0 HA3 GLY A 180 11.738 -0.630 1.263 1.00 0.23 H new ATOM 419 N ILE A 181 13.634 1.231 0.454 1.00 0.26 N ATOM 420 CA ILE A 181 14.892 1.677 -0.131 1.00 0.32 C ATOM 421 C ILE A 181 15.768 2.345 0.920 1.00 0.33 C ATOM 422 O ILE A 181 16.980 2.129 0.960 1.00 0.34 O ATOM 423 CB ILE A 181 14.659 2.657 -1.296 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.735 2.025 -2.340 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.985 3.057 -1.924 1.00 0.52 C ATOM 426 CD1 ILE A 181 13.586 2.851 -3.598 1.00 0.90 C ATOM 0 H ILE A 181 12.800 1.623 0.017 1.00 0.26 H new ATOM 0 HA ILE A 181 15.398 0.792 -0.517 1.00 0.32 H new ATOM 0 HB ILE A 181 14.179 3.556 -0.909 1.00 0.41 H new ATOM 0 HG12 ILE A 181 14.121 1.041 -2.606 1.00 0.47 H new ATOM 0 HG13 ILE A 181 12.751 1.873 -1.897 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.804 3.750 -2.746 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.612 3.539 -1.174 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.491 2.169 -2.303 1.00 0.52 H new ATOM 0 HD11 ILE A 181 12.917 2.341 -4.291 1.00 0.90 H new ATOM 0 HD12 ILE A 181 13.171 3.827 -3.346 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.562 2.982 -4.065 1.00 0.90 H new ATOM 438 N TYR A 182 15.150 3.161 1.768 1.00 0.35 N ATOM 439 CA TYR A 182 15.878 3.851 2.824 1.00 0.42 C ATOM 440 C TYR A 182 16.673 2.854 3.659 1.00 0.40 C ATOM 441 O TYR A 182 17.820 3.109 4.025 1.00 0.46 O ATOM 442 CB TYR A 182 14.915 4.633 3.717 1.00 0.49 C ATOM 443 CG TYR A 182 15.592 5.314 4.885 1.00 0.62 C ATOM 444 CD1 TYR A 182 16.470 6.372 4.685 1.00 1.34 C ATOM 445 CD2 TYR A 182 15.355 4.898 6.189 1.00 1.16 C ATOM 446 CE1 TYR A 182 17.094 6.995 5.750 1.00 1.44 C ATOM 447 CE2 TYR A 182 15.974 5.515 7.260 1.00 1.25 C ATOM 448 CZ TYR A 182 16.841 6.564 7.034 1.00 0.93 C ATOM 449 OH TYR A 182 17.460 7.180 8.097 1.00 1.09 O ATOM 0 H TYR A 182 14.150 3.359 1.744 1.00 0.35 H new ATOM 0 HA TYR A 182 16.571 4.553 2.360 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.404 5.384 3.115 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.151 3.954 4.096 1.00 0.49 H new ATOM 0 HD1 TYR A 182 16.669 6.714 3.680 1.00 1.34 H new ATOM 0 HD2 TYR A 182 14.675 4.078 6.369 1.00 1.16 H new ATOM 0 HE1 TYR A 182 17.776 7.815 5.576 1.00 1.44 H new ATOM 0 HE2 TYR A 182 15.780 5.178 8.268 1.00 1.25 H new ATOM 0 HH TYR A 182 17.173 6.757 8.933 1.00 1.09 H new ATOM 459 N ILE A 183 16.050 1.722 3.968 1.00 0.36 N ATOM 460 CA ILE A 183 16.708 0.683 4.747 1.00 0.42 C ATOM 461 C ILE A 183 17.919 0.137 3.997 1.00 0.41 C ATOM 462 O ILE A 183 19.006 0.004 4.557 1.00 0.46 O ATOM 463 CB ILE A 183 15.751 -0.485 5.066 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.364 0.038 5.448 1.00 0.56 C ATOM 465 CG2 ILE A 183 16.323 -1.347 6.181 1.00 0.58 C ATOM 466 CD1 ILE A 183 14.393 1.160 6.463 1.00 0.80 C ATOM 0 H ILE A 183 15.093 1.502 3.691 1.00 0.36 H new ATOM 0 HA ILE A 183 17.026 1.141 5.684 1.00 0.42 H new ATOM 0 HB ILE A 183 15.647 -1.098 4.171 1.00 0.47 H new ATOM 0 HG12 ILE A 183 13.857 0.387 4.548 1.00 0.56 H new ATOM 0 HG13 ILE A 183 13.773 -0.786 5.848 1.00 0.56 H new ATOM 0 HG21 ILE A 183 15.637 -2.167 6.395 1.00 0.58 H new ATOM 0 HG22 ILE A 183 17.286 -1.751 5.870 1.00 0.58 H new ATOM 0 HG23 ILE A 183 16.456 -0.741 7.077 1.00 0.58 H new ATOM 0 HD11 ILE A 183 13.374 1.478 6.683 1.00 0.80 H new ATOM 0 HD12 ILE A 183 14.870 0.810 7.378 1.00 0.80 H new ATOM 0 HD13 ILE A 183 14.956 2.001 6.059 1.00 0.80 H new ATOM 478 N GLY A 184 17.714 -0.177 2.718 1.00 0.39 N ATOM 479 CA GLY A 184 18.785 -0.713 1.897 1.00 0.46 C ATOM 480 C GLY A 184 19.948 0.247 1.724 1.00 0.50 C ATOM 481 O GLY A 184 21.098 -0.113 1.974 1.00 0.55 O ATOM 0 H GLY A 184 16.821 -0.069 2.236 1.00 0.39 H new ATOM 0 HA2 GLY A 184 19.150 -1.637 2.346 1.00 0.46 H new ATOM 0 HA3 GLY A 184 18.387 -0.971 0.916 1.00 0.46 H new ATOM 485 N ARG A 185 19.655 1.471 1.297 1.00 0.53 N ATOM 486 CA ARG A 185 20.699 2.471 1.088 1.00 0.65 C ATOM 487 C ARG A 185 21.479 2.718 2.374 1.00 0.67 C ATOM 488 O ARG A 185 22.643 3.118 2.338 1.00 0.76 O ATOM 489 CB ARG A 185 20.093 3.781 0.582 1.00 0.76 C ATOM 490 CG ARG A 185 19.063 4.376 1.523 1.00 0.72 C ATOM 491 CD ARG A 185 19.295 5.861 1.740 1.00 0.81 C ATOM 492 NE ARG A 185 19.343 6.602 0.484 1.00 1.27 N ATOM 493 CZ ARG A 185 19.595 7.905 0.409 1.00 1.59 C ATOM 494 NH1 ARG A 185 19.813 8.603 1.515 1.00 1.66 N ATOM 495 NH2 ARG A 185 19.627 8.511 -0.769 1.00 2.24 N ATOM 0 H ARG A 185 18.710 1.794 1.090 1.00 0.53 H new ATOM 0 HA ARG A 185 21.387 2.088 0.335 1.00 0.65 H new ATOM 0 HB2 ARG A 185 20.892 4.505 0.427 1.00 0.76 H new ATOM 0 HB3 ARG A 185 19.628 3.606 -0.388 1.00 0.76 H new ATOM 0 HG2 ARG A 185 18.064 4.219 1.116 1.00 0.72 H new ATOM 0 HG3 ARG A 185 19.102 3.857 2.481 1.00 0.72 H new ATOM 0 HD2 ARG A 185 18.499 6.263 2.367 1.00 0.81 H new ATOM 0 HD3 ARG A 185 20.230 6.005 2.281 1.00 0.81 H new ATOM 0 HE ARG A 185 19.174 6.093 -0.383 1.00 1.27 H new ATOM 0 HH11 ARG A 185 19.787 8.140 2.424 1.00 1.66 H new ATOM 0 HH12 ARG A 185 20.006 9.603 1.457 1.00 1.66 H new ATOM 0 HH21 ARG A 185 19.458 7.977 -1.622 1.00 2.24 H new ATOM 0 HH22 ARG A 185 19.821 9.511 -0.823 1.00 2.24 H new ATOM 509 N ARG A 186 20.833 2.475 3.510 1.00 0.63 N ATOM 510 CA ARG A 186 21.472 2.670 4.807 1.00 0.73 C ATOM 511 C ARG A 186 21.878 1.335 5.423 1.00 0.74 C ATOM 512 O ARG A 186 21.760 1.137 6.633 1.00 0.86 O ATOM 513 CB ARG A 186 20.535 3.423 5.753 1.00 0.81 C ATOM 514 CG ARG A 186 20.427 4.909 5.445 1.00 1.80 C ATOM 515 CD ARG A 186 21.739 5.628 5.710 1.00 2.20 C ATOM 516 NE ARG A 186 21.683 7.035 5.322 1.00 2.90 N ATOM 517 CZ ARG A 186 21.952 7.479 4.096 1.00 3.61 C ATOM 518 NH1 ARG A 186 22.261 6.628 3.126 1.00 3.86 N ATOM 519 NH2 ARG A 186 21.903 8.779 3.838 1.00 4.48 N ATOM 0 H ARG A 186 19.870 2.143 3.559 1.00 0.63 H new ATOM 0 HA ARG A 186 22.373 3.264 4.654 1.00 0.73 H new ATOM 0 HB2 ARG A 186 19.542 2.976 5.700 1.00 0.81 H new ATOM 0 HB3 ARG A 186 20.887 3.297 6.777 1.00 0.81 H new ATOM 0 HG2 ARG A 186 20.140 5.046 4.402 1.00 1.80 H new ATOM 0 HG3 ARG A 186 19.639 5.352 6.054 1.00 1.80 H new ATOM 0 HD2 ARG A 186 21.985 5.554 6.769 1.00 2.20 H new ATOM 0 HD3 ARG A 186 22.540 5.133 5.162 1.00 2.20 H new ATOM 0 HE ARG A 186 21.422 7.718 6.033 1.00 2.90 H new ATOM 0 HH11 ARG A 186 22.294 5.627 3.317 1.00 3.86 H new ATOM 0 HH12 ARG A 186 22.466 6.975 2.189 1.00 3.86 H new ATOM 0 HH21 ARG A 186 21.660 9.437 4.578 1.00 4.48 H new ATOM 0 HH22 ARG A 186 22.109 9.121 2.899 1.00 4.48 H new ATOM 533 N LEU A 187 22.356 0.421 4.583 1.00 0.73 N ATOM 534 CA LEU A 187 22.786 -0.894 5.045 1.00 0.84 C ATOM 535 C LEU A 187 24.129 -0.804 5.765 1.00 1.03 C ATOM 536 O LEU A 187 24.434 -1.621 6.634 1.00 1.21 O ATOM 537 CB LEU A 187 22.891 -1.865 3.867 1.00 0.83 C ATOM 538 CG LEU A 187 21.577 -2.537 3.463 1.00 0.78 C ATOM 539 CD1 LEU A 187 21.735 -3.259 2.133 1.00 0.90 C ATOM 540 CD2 LEU A 187 21.125 -3.506 4.544 1.00 0.98 C ATOM 0 H LEU A 187 22.455 0.568 3.578 1.00 0.73 H new ATOM 0 HA LEU A 187 22.040 -1.266 5.747 1.00 0.84 H new ATOM 0 HB2 LEU A 187 23.286 -1.326 3.006 1.00 0.83 H new ATOM 0 HB3 LEU A 187 23.616 -2.640 4.118 1.00 0.83 H new ATOM 0 HG LEU A 187 20.815 -1.766 3.347 1.00 0.78 H new ATOM 0 HD11 LEU A 187 20.791 -3.731 1.861 1.00 0.90 H new ATOM 0 HD12 LEU A 187 22.018 -2.543 1.362 1.00 0.90 H new ATOM 0 HD13 LEU A 187 22.509 -4.021 2.222 1.00 0.90 H new ATOM 0 HD21 LEU A 187 20.189 -3.976 4.243 1.00 0.98 H new ATOM 0 HD22 LEU A 187 21.887 -4.272 4.687 1.00 0.98 H new ATOM 0 HD23 LEU A 187 20.975 -2.965 5.478 1.00 0.98 H new ATOM 789 N SER B 168 -6.035 -7.609 2.217 1.00 0.84 N ATOM 790 CA SER B 168 -5.430 -7.311 0.921 1.00 0.77 C ATOM 791 C SER B 168 -4.655 -5.997 0.961 1.00 0.60 C ATOM 792 O SER B 168 -3.559 -5.896 0.410 1.00 0.54 O ATOM 793 CB SER B 168 -6.503 -7.250 -0.169 1.00 0.90 C ATOM 794 OG SER B 168 -7.380 -6.158 0.036 1.00 1.54 O ATOM 0 HA SER B 168 -4.730 -8.114 0.689 1.00 0.77 H new ATOM 0 HB2 SER B 168 -6.028 -7.160 -1.146 1.00 0.90 H new ATOM 0 HB3 SER B 168 -7.071 -8.180 -0.176 1.00 0.90 H new ATOM 0 HG SER B 168 -8.054 -6.142 -0.675 1.00 1.54 H new ATOM 800 N LEU B 169 -5.229 -4.992 1.614 1.00 0.60 N ATOM 801 CA LEU B 169 -4.589 -3.684 1.719 1.00 0.52 C ATOM 802 C LEU B 169 -3.256 -3.783 2.457 1.00 0.44 C ATOM 803 O LEU B 169 -2.240 -3.263 1.996 1.00 0.37 O ATOM 804 CB LEU B 169 -5.511 -2.695 2.435 1.00 0.63 C ATOM 805 CG LEU B 169 -6.843 -2.427 1.734 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.646 -1.384 2.496 1.00 0.86 C ATOM 807 CD2 LEU B 169 -6.609 -1.979 0.299 1.00 0.76 C ATOM 0 H LEU B 169 -6.135 -5.057 2.078 1.00 0.60 H new ATOM 0 HA LEU B 169 -4.396 -3.323 0.709 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.715 -3.072 3.437 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -4.983 -1.749 2.552 1.00 0.63 H new ATOM 0 HG LEU B 169 -7.416 -3.354 1.715 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -8.591 -1.206 1.983 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -7.844 -1.743 3.506 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -7.080 -0.454 2.546 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -7.568 -1.793 -0.185 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -6.017 -1.064 0.296 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -6.074 -2.759 -0.243 1.00 0.76 H new ATOM 819 N LEU B 170 -3.268 -4.454 3.605 1.00 0.51 N ATOM 820 CA LEU B 170 -2.060 -4.615 4.406 1.00 0.52 C ATOM 821 C LEU B 170 -0.995 -5.394 3.640 1.00 0.44 C ATOM 822 O LEU B 170 0.186 -5.048 3.674 1.00 0.40 O ATOM 823 CB LEU B 170 -2.379 -5.325 5.725 1.00 0.67 C ATOM 824 CG LEU B 170 -3.152 -4.488 6.747 1.00 0.80 C ATOM 825 CD1 LEU B 170 -4.483 -4.025 6.175 1.00 0.86 C ATOM 826 CD2 LEU B 170 -3.367 -5.280 8.027 1.00 0.93 C ATOM 0 H LEU B 170 -4.099 -4.894 4.000 1.00 0.51 H new ATOM 0 HA LEU B 170 -1.670 -3.621 4.625 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -2.956 -6.223 5.505 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -1.443 -5.650 6.179 1.00 0.67 H new ATOM 0 HG LEU B 170 -2.559 -3.604 6.981 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -5.013 -3.432 6.921 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -4.306 -3.418 5.287 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.085 -4.893 5.906 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -3.918 -4.671 8.744 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -3.936 -6.183 7.805 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -2.401 -5.555 8.451 1.00 0.93 H new ATOM 838 N LEU B 171 -1.421 -6.446 2.949 1.00 0.45 N ATOM 839 CA LEU B 171 -0.505 -7.274 2.174 1.00 0.45 C ATOM 840 C LEU B 171 0.255 -6.437 1.150 1.00 0.37 C ATOM 841 O LEU B 171 1.480 -6.518 1.055 1.00 0.38 O ATOM 842 CB LEU B 171 -1.271 -8.392 1.464 1.00 0.54 C ATOM 843 CG LEU B 171 -2.003 -9.366 2.388 1.00 0.65 C ATOM 844 CD1 LEU B 171 -2.692 -10.454 1.579 1.00 0.74 C ATOM 845 CD2 LEU B 171 -1.038 -9.976 3.392 1.00 0.74 C ATOM 0 H LEU B 171 -2.395 -6.745 2.910 1.00 0.45 H new ATOM 0 HA LEU B 171 0.215 -7.715 2.863 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -1.998 -7.941 0.788 1.00 0.54 H new ATOM 0 HB3 LEU B 171 -0.571 -8.956 0.848 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.765 -8.813 2.937 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -3.208 -11.138 2.253 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -3.414 -10.000 0.900 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -1.949 -11.005 1.003 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -1.577 -10.666 4.041 1.00 0.74 H new ATOM 0 HD22 LEU B 171 -0.253 -10.515 2.861 1.00 0.74 H new ATOM 0 HD23 LEU B 171 -0.592 -9.185 3.995 1.00 0.74 H new ATOM 857 N SER B 172 -0.479 -5.634 0.387 1.00 0.32 N ATOM 858 CA SER B 172 0.126 -4.784 -0.630 1.00 0.31 C ATOM 859 C SER B 172 1.180 -3.866 -0.020 1.00 0.26 C ATOM 860 O SER B 172 2.304 -3.781 -0.515 1.00 0.30 O ATOM 861 CB SER B 172 -0.948 -3.953 -1.335 1.00 0.33 C ATOM 862 OG SER B 172 -1.905 -4.785 -1.968 1.00 0.40 O ATOM 0 H SER B 172 -1.494 -5.555 0.454 1.00 0.32 H new ATOM 0 HA SER B 172 0.615 -5.428 -1.361 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.445 -3.307 -0.611 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.481 -3.303 -2.075 1.00 0.33 H new ATOM 0 HG SER B 172 -2.495 -5.179 -1.291 1.00 0.40 H new ATOM 868 N HIS B 173 0.811 -3.179 1.057 1.00 0.22 N ATOM 869 CA HIS B 173 1.731 -2.268 1.731 1.00 0.23 C ATOM 870 C HIS B 173 3.044 -2.968 2.063 1.00 0.23 C ATOM 871 O HIS B 173 4.124 -2.462 1.752 1.00 0.25 O ATOM 872 CB HIS B 173 1.095 -1.716 3.007 1.00 0.28 C ATOM 873 CG HIS B 173 -0.056 -0.794 2.753 1.00 0.28 C ATOM 874 ND1 HIS B 173 -1.355 -1.093 3.106 1.00 0.34 N ATOM 875 CD2 HIS B 173 -0.098 0.433 2.179 1.00 0.36 C ATOM 876 CE1 HIS B 173 -2.145 -0.093 2.760 1.00 0.35 C ATOM 877 NE2 HIS B 173 -1.407 0.845 2.197 1.00 0.36 N ATOM 0 H HIS B 173 -0.115 -3.235 1.481 1.00 0.22 H new ATOM 0 HA HIS B 173 1.943 -1.440 1.054 1.00 0.23 H new ATOM 0 HB2 HIS B 173 0.754 -2.549 3.622 1.00 0.28 H new ATOM 0 HB3 HIS B 173 1.855 -1.186 3.581 1.00 0.28 H new ATOM 0 HD1 HIS B 173 -1.658 -1.953 3.563 1.00 0.34 H new ATOM 0 HD2 HIS B 173 0.742 0.984 1.782 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -3.213 -0.050 2.912 1.00 0.35 H new ATOM 886 N LEU B 174 2.949 -4.133 2.696 1.00 0.24 N ATOM 887 CA LEU B 174 4.133 -4.899 3.067 1.00 0.27 C ATOM 888 C LEU B 174 4.975 -5.224 1.837 1.00 0.23 C ATOM 889 O LEU B 174 6.177 -4.963 1.809 1.00 0.24 O ATOM 890 CB LEU B 174 3.731 -6.194 3.778 1.00 0.33 C ATOM 891 CG LEU B 174 2.970 -6.003 5.089 1.00 0.40 C ATOM 892 CD1 LEU B 174 2.711 -7.345 5.756 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.740 -5.080 6.022 1.00 0.47 C ATOM 0 H LEU B 174 2.065 -4.567 2.962 1.00 0.24 H new ATOM 0 HA LEU B 174 4.729 -4.290 3.747 1.00 0.27 H new ATOM 0 HB2 LEU B 174 3.115 -6.786 3.101 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.631 -6.774 3.980 1.00 0.33 H new ATOM 0 HG LEU B 174 2.008 -5.541 4.866 1.00 0.40 H new ATOM 0 HD11 LEU B 174 2.168 -7.189 6.688 1.00 0.48 H new ATOM 0 HD12 LEU B 174 2.118 -7.973 5.091 1.00 0.48 H new ATOM 0 HD13 LEU B 174 3.661 -7.836 5.967 1.00 0.48 H new ATOM 0 HD21 LEU B 174 3.184 -4.955 6.951 1.00 0.47 H new ATOM 0 HD22 LEU B 174 4.716 -5.514 6.239 1.00 0.47 H new ATOM 0 HD23 LEU B 174 3.873 -4.109 5.545 1.00 0.47 H new ATOM 905 N LEU B 175 4.334 -5.795 0.823 1.00 0.22 N ATOM 906 CA LEU B 175 5.022 -6.156 -0.410 1.00 0.23 C ATOM 907 C LEU B 175 5.742 -4.950 -1.006 1.00 0.21 C ATOM 908 O LEU B 175 6.881 -5.059 -1.461 1.00 0.23 O ATOM 909 CB LEU B 175 4.029 -6.727 -1.424 1.00 0.27 C ATOM 910 CG LEU B 175 3.375 -8.048 -1.017 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.429 -8.534 -2.103 1.00 0.38 C ATOM 912 CD2 LEU B 175 4.437 -9.097 -0.723 1.00 0.38 C ATOM 0 H LEU B 175 3.339 -6.018 0.831 1.00 0.22 H new ATOM 0 HA LEU B 175 5.765 -6.917 -0.173 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.245 -5.989 -1.597 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.545 -6.872 -2.373 1.00 0.27 H new ATOM 0 HG LEU B 175 2.795 -7.880 -0.110 1.00 0.32 H new ATOM 0 HD11 LEU B 175 1.974 -9.475 -1.795 1.00 0.38 H new ATOM 0 HD12 LEU B 175 1.649 -7.790 -2.266 1.00 0.38 H new ATOM 0 HD13 LEU B 175 2.985 -8.686 -3.028 1.00 0.38 H new ATOM 0 HD21 LEU B 175 3.955 -10.031 -0.435 1.00 0.38 H new ATOM 0 HD22 LEU B 175 5.043 -9.261 -1.614 1.00 0.38 H new ATOM 0 HD23 LEU B 175 5.074 -8.751 0.091 1.00 0.38 H new ATOM 924 N ALA B 176 5.072 -3.803 -1.000 1.00 0.21 N ATOM 925 CA ALA B 176 5.652 -2.580 -1.541 1.00 0.23 C ATOM 926 C ALA B 176 6.987 -2.265 -0.875 1.00 0.22 C ATOM 927 O ALA B 176 7.996 -2.056 -1.550 1.00 0.24 O ATOM 928 CB ALA B 176 4.687 -1.417 -1.370 1.00 0.26 C ATOM 0 H ALA B 176 4.129 -3.695 -0.627 1.00 0.21 H new ATOM 0 HA ALA B 176 5.833 -2.733 -2.605 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.134 -0.511 -1.779 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.759 -1.634 -1.898 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.476 -1.272 -0.310 1.00 0.26 H new ATOM 934 N ILE B 177 6.987 -2.236 0.453 1.00 0.20 N ATOM 935 CA ILE B 177 8.199 -1.949 1.208 1.00 0.21 C ATOM 936 C ILE B 177 9.289 -2.963 0.886 1.00 0.21 C ATOM 937 O ILE B 177 10.457 -2.605 0.726 1.00 0.22 O ATOM 938 CB ILE B 177 7.933 -1.951 2.725 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.787 -0.994 3.062 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.194 -1.562 3.484 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.450 -0.952 4.536 1.00 0.29 C ATOM 0 H ILE B 177 6.162 -2.408 1.028 1.00 0.20 H new ATOM 0 HA ILE B 177 8.532 -0.954 0.914 1.00 0.21 H new ATOM 0 HB ILE B 177 7.645 -2.957 3.029 1.00 0.22 H new ATOM 0 HG12 ILE B 177 7.052 0.009 2.729 1.00 0.24 H new ATOM 0 HG13 ILE B 177 5.900 -1.291 2.503 1.00 0.24 H new ATOM 0 HG21 ILE B 177 8.991 -1.568 4.555 1.00 0.25 H new ATOM 0 HG22 ILE B 177 9.987 -2.276 3.262 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.508 -0.564 3.180 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.630 -0.254 4.702 1.00 0.29 H new ATOM 0 HD12 ILE B 177 6.153 -1.946 4.870 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.324 -0.626 5.100 1.00 0.29 H new ATOM 953 N GLY B 178 8.902 -4.232 0.795 1.00 0.21 N ATOM 954 CA GLY B 178 9.859 -5.275 0.482 1.00 0.23 C ATOM 955 C GLY B 178 10.571 -5.014 -0.829 1.00 0.23 C ATOM 956 O GLY B 178 11.792 -5.149 -0.919 1.00 0.26 O ATOM 0 H GLY B 178 7.944 -4.555 0.932 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.592 -5.348 1.285 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.346 -6.235 0.431 1.00 0.23 H new ATOM 960 N LEU B 179 9.805 -4.639 -1.848 1.00 0.21 N ATOM 961 CA LEU B 179 10.368 -4.349 -3.160 1.00 0.23 C ATOM 962 C LEU B 179 11.429 -3.259 -3.055 1.00 0.24 C ATOM 963 O LEU B 179 12.531 -3.397 -3.585 1.00 0.28 O ATOM 964 CB LEU B 179 9.267 -3.913 -4.128 1.00 0.25 C ATOM 965 CG LEU B 179 8.192 -4.965 -4.404 1.00 0.27 C ATOM 966 CD1 LEU B 179 7.120 -4.403 -5.323 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.814 -6.214 -5.008 1.00 0.33 C ATOM 0 H LEU B 179 8.793 -4.529 -1.790 1.00 0.21 H new ATOM 0 HA LEU B 179 10.834 -5.258 -3.542 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.786 -3.020 -3.728 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.728 -3.630 -5.074 1.00 0.25 H new ATOM 0 HG LEU B 179 7.724 -5.237 -3.458 1.00 0.27 H new ATOM 0 HD11 LEU B 179 6.363 -5.165 -5.508 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.655 -3.537 -4.852 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.572 -4.103 -6.268 1.00 0.34 H new ATOM 0 HD21 LEU B 179 8.035 -6.953 -5.198 1.00 0.33 H new ATOM 0 HD22 LEU B 179 9.308 -5.958 -5.945 1.00 0.33 H new ATOM 0 HD23 LEU B 179 9.545 -6.628 -4.314 1.00 0.33 H new ATOM 979 N GLY B 180 11.085 -2.175 -2.364 1.00 0.23 N ATOM 980 CA GLY B 180 12.019 -1.077 -2.196 1.00 0.27 C ATOM 981 C GLY B 180 13.353 -1.533 -1.640 1.00 0.29 C ATOM 982 O GLY B 180 14.408 -1.139 -2.138 1.00 0.34 O ATOM 0 H GLY B 180 10.178 -2.038 -1.919 1.00 0.23 H new ATOM 0 HA2 GLY B 180 12.177 -0.588 -3.157 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.585 -0.333 -1.528 1.00 0.27 H new ATOM 986 N ILE B 181 13.308 -2.365 -0.604 1.00 0.27 N ATOM 987 CA ILE B 181 14.521 -2.879 0.018 1.00 0.32 C ATOM 988 C ILE B 181 15.332 -3.703 -0.975 1.00 0.37 C ATOM 989 O ILE B 181 16.535 -3.494 -1.138 1.00 0.44 O ATOM 990 CB ILE B 181 14.198 -3.759 1.240 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.331 -2.990 2.238 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.482 -4.235 1.902 1.00 0.42 C ATOM 993 CD1 ILE B 181 12.835 -3.846 3.380 1.00 0.67 C ATOM 0 H ILE B 181 12.443 -2.697 -0.178 1.00 0.27 H new ATOM 0 HA ILE B 181 15.101 -2.015 0.342 1.00 0.32 H new ATOM 0 HB ILE B 181 13.639 -4.632 0.902 1.00 0.34 H new ATOM 0 HG12 ILE B 181 13.905 -2.156 2.641 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.476 -2.564 1.714 1.00 0.32 H new ATOM 0 HG21 ILE B 181 15.238 -4.856 2.764 1.00 0.42 H new ATOM 0 HG22 ILE B 181 16.065 -4.817 1.189 1.00 0.42 H new ATOM 0 HG23 ILE B 181 16.064 -3.373 2.228 1.00 0.42 H new ATOM 0 HD11 ILE B 181 12.227 -3.240 4.051 1.00 0.67 H new ATOM 0 HD12 ILE B 181 12.234 -4.666 2.986 1.00 0.67 H new ATOM 0 HD13 ILE B 181 13.686 -4.251 3.928 1.00 0.67 H new ATOM 1005 N TYR B 182 14.661 -4.640 -1.634 1.00 0.36 N ATOM 1006 CA TYR B 182 15.307 -5.504 -2.614 1.00 0.42 C ATOM 1007 C TYR B 182 16.086 -4.683 -3.637 1.00 0.45 C ATOM 1008 O TYR B 182 17.256 -4.953 -3.905 1.00 0.51 O ATOM 1009 CB TYR B 182 14.262 -6.366 -3.325 1.00 0.46 C ATOM 1010 CG TYR B 182 14.836 -7.248 -4.410 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.167 -6.724 -5.653 1.00 1.48 C ATOM 1012 CD2 TYR B 182 15.043 -8.605 -4.193 1.00 1.20 C ATOM 1013 CE1 TYR B 182 15.689 -7.527 -6.649 1.00 1.56 C ATOM 1014 CE2 TYR B 182 15.565 -9.414 -5.185 1.00 1.25 C ATOM 1015 CZ TYR B 182 15.886 -8.871 -6.410 1.00 0.83 C ATOM 1016 OH TYR B 182 16.406 -9.674 -7.398 1.00 0.97 O ATOM 0 H TYR B 182 13.665 -4.821 -1.506 1.00 0.36 H new ATOM 0 HA TYR B 182 16.008 -6.151 -2.087 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.759 -6.992 -2.588 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.504 -5.716 -3.761 1.00 0.46 H new ATOM 0 HD1 TYR B 182 15.014 -5.672 -5.844 1.00 1.48 H new ATOM 0 HD2 TYR B 182 14.792 -9.034 -3.234 1.00 1.20 H new ATOM 0 HE1 TYR B 182 15.942 -7.104 -7.610 1.00 1.56 H new ATOM 0 HE2 TYR B 182 15.720 -10.467 -5.001 1.00 1.25 H new ATOM 0 HH TYR B 182 16.482 -10.593 -7.066 1.00 0.97 H new ATOM 1026 N ILE B 183 15.428 -3.685 -4.213 1.00 0.44 N ATOM 1027 CA ILE B 183 16.062 -2.825 -5.204 1.00 0.50 C ATOM 1028 C ILE B 183 17.235 -2.059 -4.596 1.00 0.52 C ATOM 1029 O ILE B 183 18.331 -2.034 -5.156 1.00 0.59 O ATOM 1030 CB ILE B 183 15.057 -1.819 -5.797 1.00 0.55 C ATOM 1031 CG1 ILE B 183 13.866 -2.559 -6.407 1.00 0.59 C ATOM 1032 CG2 ILE B 183 15.734 -0.943 -6.841 1.00 0.64 C ATOM 1033 CD1 ILE B 183 12.852 -1.641 -7.054 1.00 0.83 C ATOM 0 H ILE B 183 14.456 -3.451 -4.011 1.00 0.44 H new ATOM 0 HA ILE B 183 16.429 -3.473 -6.000 1.00 0.50 H new ATOM 0 HB ILE B 183 14.693 -1.176 -4.995 1.00 0.55 H new ATOM 0 HG12 ILE B 183 14.231 -3.267 -7.152 1.00 0.59 H new ATOM 0 HG13 ILE B 183 13.373 -3.141 -5.629 1.00 0.59 H new ATOM 0 HG21 ILE B 183 15.010 -0.238 -7.250 1.00 0.64 H new ATOM 0 HG22 ILE B 183 16.554 -0.394 -6.379 1.00 0.64 H new ATOM 0 HG23 ILE B 183 16.124 -1.569 -7.644 1.00 0.64 H new ATOM 0 HD11 ILE B 183 12.035 -2.234 -7.465 1.00 0.83 H new ATOM 0 HD12 ILE B 183 12.459 -0.950 -6.308 1.00 0.83 H new ATOM 0 HD13 ILE B 183 13.330 -1.077 -7.855 1.00 0.83 H new ATOM 1045 N GLY B 184 16.996 -1.439 -3.445 1.00 0.50 N ATOM 1046 CA GLY B 184 18.034 -0.675 -2.779 1.00 0.57 C ATOM 1047 C GLY B 184 19.256 -1.506 -2.430 1.00 0.62 C ATOM 1048 O GLY B 184 20.379 -1.135 -2.769 1.00 0.69 O ATOM 0 H GLY B 184 16.099 -1.452 -2.960 1.00 0.50 H new ATOM 0 HA2 GLY B 184 18.336 0.152 -3.421 1.00 0.57 H new ATOM 0 HA3 GLY B 184 17.627 -0.238 -1.867 1.00 0.57 H new ATOM 1052 N ARG B 185 19.042 -2.631 -1.753 1.00 0.62 N ATOM 1053 CA ARG B 185 20.146 -3.501 -1.357 1.00 0.72 C ATOM 1054 C ARG B 185 20.886 -4.036 -2.580 1.00 0.79 C ATOM 1055 O ARG B 185 22.083 -4.317 -2.517 1.00 0.88 O ATOM 1056 CB ARG B 185 19.637 -4.658 -0.492 1.00 0.77 C ATOM 1057 CG ARG B 185 18.631 -5.556 -1.189 1.00 0.72 C ATOM 1058 CD ARG B 185 19.313 -6.698 -1.927 1.00 1.02 C ATOM 1059 NE ARG B 185 20.088 -7.545 -1.024 1.00 1.43 N ATOM 1060 CZ ARG B 185 20.640 -8.699 -1.387 1.00 2.03 C ATOM 1061 NH1 ARG B 185 20.503 -9.141 -2.630 1.00 2.27 N ATOM 1062 NH2 ARG B 185 21.330 -9.412 -0.508 1.00 2.56 N ATOM 0 H ARG B 185 18.120 -2.960 -1.468 1.00 0.62 H new ATOM 0 HA ARG B 185 20.846 -2.909 -0.768 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.487 -5.261 -0.174 1.00 0.77 H new ATOM 0 HB3 ARG B 185 19.180 -4.250 0.410 1.00 0.77 H new ATOM 0 HG2 ARG B 185 17.935 -5.961 -0.455 1.00 0.72 H new ATOM 0 HG3 ARG B 185 18.044 -4.967 -1.893 1.00 0.72 H new ATOM 0 HD2 ARG B 185 18.561 -7.302 -2.435 1.00 1.02 H new ATOM 0 HD3 ARG B 185 19.969 -6.292 -2.697 1.00 1.02 H new ATOM 0 HE ARG B 185 20.213 -7.234 -0.061 1.00 1.43 H new ATOM 0 HH11 ARG B 185 19.973 -8.595 -3.310 1.00 2.27 H new ATOM 0 HH12 ARG B 185 20.927 -10.026 -2.906 1.00 2.27 H new ATOM 0 HH21 ARG B 185 21.438 -9.076 0.449 1.00 2.56 H new ATOM 0 HH22 ARG B 185 21.753 -10.297 -0.788 1.00 2.56 H new