USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=7 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 33:sc= 0.0607 USER MOD Single : A 172 SER OG : rot 74:sc= 0.5 USER MOD Single : A 173 HIS : no HD1:sc= -1.95 K(o=-2,f=-3.8!) USER MOD Single : A 182 TYR OH : rot 120:sc= -0.447 USER MOD Single : B 168 SER OG : rot 32:sc= 0.0413 USER MOD Single : B 172 SER OG : rot 91:sc= 1.26 USER MOD Single : B 173 HIS : no HE2:sc= -4.03! C(o=-4!,f=-6.7!) USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N SER A 168 -5.117 8.136 -1.320 1.00 0.76 N ATOM 223 CA SER A 168 -4.536 7.643 -0.079 1.00 0.70 C ATOM 224 C SER A 168 -3.783 6.340 -0.319 1.00 0.57 C ATOM 225 O SER A 168 -2.697 6.128 0.222 1.00 0.51 O ATOM 226 CB SER A 168 -5.628 7.432 0.972 1.00 0.82 C ATOM 227 OG SER A 168 -6.296 8.647 1.264 1.00 1.39 O ATOM 0 HA SER A 168 -3.831 8.389 0.289 1.00 0.70 H new ATOM 0 HB2 SER A 168 -6.347 6.696 0.612 1.00 0.82 H new ATOM 0 HB3 SER A 168 -5.187 7.028 1.883 1.00 0.82 H new ATOM 0 HG SER A 168 -6.331 9.203 0.458 1.00 1.39 H new ATOM 233 N LEU A 169 -4.369 5.468 -1.132 1.00 0.58 N ATOM 234 CA LEU A 169 -3.756 4.183 -1.448 1.00 0.51 C ATOM 235 C LEU A 169 -2.396 4.379 -2.109 1.00 0.41 C ATOM 236 O LEU A 169 -1.431 3.687 -1.781 1.00 0.36 O ATOM 237 CB LEU A 169 -4.672 3.373 -2.366 1.00 0.64 C ATOM 238 CG LEU A 169 -6.097 3.176 -1.847 1.00 0.77 C ATOM 239 CD1 LEU A 169 -6.864 2.214 -2.741 1.00 1.07 C ATOM 240 CD2 LEU A 169 -6.077 2.674 -0.412 1.00 0.81 C ATOM 0 H LEU A 169 -5.269 5.628 -1.585 1.00 0.58 H new ATOM 0 HA LEU A 169 -3.611 3.636 -0.516 1.00 0.51 H new ATOM 0 HB2 LEU A 169 -4.720 3.869 -3.336 1.00 0.64 H new ATOM 0 HB3 LEU A 169 -4.223 2.394 -2.530 1.00 0.64 H new ATOM 0 HG LEU A 169 -6.606 4.140 -1.866 1.00 0.77 H new ATOM 0 HD11 LEU A 169 -7.875 2.087 -2.355 1.00 1.07 H new ATOM 0 HD12 LEU A 169 -6.910 2.616 -3.753 1.00 1.07 H new ATOM 0 HD13 LEU A 169 -6.357 1.249 -2.756 1.00 1.07 H new ATOM 0 HD21 LEU A 169 -7.100 2.540 -0.059 1.00 0.81 H new ATOM 0 HD22 LEU A 169 -5.549 1.721 -0.367 1.00 0.81 H new ATOM 0 HD23 LEU A 169 -5.568 3.401 0.221 1.00 0.81 H new ATOM 252 N LEU A 170 -2.324 5.324 -3.042 1.00 0.46 N ATOM 253 CA LEU A 170 -1.078 5.611 -3.744 1.00 0.47 C ATOM 254 C LEU A 170 -0.011 6.097 -2.770 1.00 0.38 C ATOM 255 O LEU A 170 1.106 5.581 -2.747 1.00 0.39 O ATOM 256 CB LEU A 170 -1.303 6.655 -4.839 1.00 0.60 C ATOM 257 CG LEU A 170 -2.079 6.161 -6.061 1.00 0.73 C ATOM 258 CD1 LEU A 170 -3.469 5.688 -5.665 1.00 0.88 C ATOM 259 CD2 LEU A 170 -2.170 7.255 -7.113 1.00 1.12 C ATOM 0 H LEU A 170 -3.113 5.903 -3.329 1.00 0.46 H new ATOM 0 HA LEU A 170 -0.732 4.687 -4.208 1.00 0.47 H new ATOM 0 HB2 LEU A 170 -1.837 7.501 -4.407 1.00 0.60 H new ATOM 0 HB3 LEU A 170 -0.333 7.026 -5.170 1.00 0.60 H new ATOM 0 HG LEU A 170 -1.539 5.315 -6.486 1.00 0.73 H new ATOM 0 HD11 LEU A 170 -4.001 5.342 -6.551 1.00 0.88 H new ATOM 0 HD12 LEU A 170 -3.385 4.870 -4.949 1.00 0.88 H new ATOM 0 HD13 LEU A 170 -4.018 6.513 -5.211 1.00 0.88 H new ATOM 0 HD21 LEU A 170 -2.725 6.886 -7.975 1.00 1.12 H new ATOM 0 HD22 LEU A 170 -2.683 8.121 -6.694 1.00 1.12 H new ATOM 0 HD23 LEU A 170 -1.166 7.544 -7.425 1.00 1.12 H new ATOM 271 N LEU A 171 -0.364 7.094 -1.965 1.00 0.36 N ATOM 272 CA LEU A 171 0.562 7.649 -0.987 1.00 0.37 C ATOM 273 C LEU A 171 1.162 6.545 -0.126 1.00 0.32 C ATOM 274 O LEU A 171 2.369 6.515 0.115 1.00 0.35 O ATOM 275 CB LEU A 171 -0.152 8.672 -0.101 1.00 0.44 C ATOM 276 CG LEU A 171 -0.723 9.881 -0.841 1.00 0.54 C ATOM 277 CD1 LEU A 171 -1.448 10.804 0.126 1.00 0.64 C ATOM 278 CD2 LEU A 171 0.384 10.632 -1.567 1.00 0.62 C ATOM 0 H LEU A 171 -1.285 7.533 -1.971 1.00 0.36 H new ATOM 0 HA LEU A 171 1.369 8.147 -1.525 1.00 0.37 H new ATOM 0 HB2 LEU A 171 -0.964 8.170 0.425 1.00 0.44 H new ATOM 0 HB3 LEU A 171 0.548 9.026 0.656 1.00 0.44 H new ATOM 0 HG LEU A 171 -1.441 9.525 -1.580 1.00 0.54 H new ATOM 0 HD11 LEU A 171 -1.848 11.659 -0.418 1.00 0.64 H new ATOM 0 HD12 LEU A 171 -2.265 10.262 0.602 1.00 0.64 H new ATOM 0 HD13 LEU A 171 -0.751 11.153 0.888 1.00 0.64 H new ATOM 0 HD21 LEU A 171 -0.040 11.490 -2.089 1.00 0.62 H new ATOM 0 HD22 LEU A 171 1.124 10.976 -0.845 1.00 0.62 H new ATOM 0 HD23 LEU A 171 0.861 9.969 -2.288 1.00 0.62 H new ATOM 290 N SER A 172 0.311 5.635 0.336 1.00 0.28 N ATOM 291 CA SER A 172 0.760 4.527 1.169 1.00 0.29 C ATOM 292 C SER A 172 1.768 3.664 0.419 1.00 0.25 C ATOM 293 O SER A 172 2.812 3.299 0.959 1.00 0.27 O ATOM 294 CB SER A 172 -0.431 3.676 1.611 1.00 0.35 C ATOM 295 OG SER A 172 -1.384 4.455 2.315 1.00 0.42 O ATOM 0 H SER A 172 -0.691 5.643 0.148 1.00 0.28 H new ATOM 0 HA SER A 172 1.246 4.940 2.053 1.00 0.29 H new ATOM 0 HB2 SER A 172 -0.901 3.222 0.738 1.00 0.35 H new ATOM 0 HB3 SER A 172 -0.083 2.861 2.246 1.00 0.35 H new ATOM 0 HG SER A 172 -1.870 5.026 1.684 1.00 0.42 H new ATOM 301 N HIS A 173 1.445 3.338 -0.829 1.00 0.23 N ATOM 302 CA HIS A 173 2.323 2.520 -1.657 1.00 0.24 C ATOM 303 C HIS A 173 3.658 3.220 -1.884 1.00 0.22 C ATOM 304 O HIS A 173 4.721 2.642 -1.656 1.00 0.24 O ATOM 305 CB HIS A 173 1.657 2.218 -3.000 1.00 0.31 C ATOM 306 CG HIS A 173 0.324 1.549 -2.870 1.00 0.37 C ATOM 307 ND1 HIS A 173 -0.800 1.967 -3.553 1.00 0.42 N ATOM 308 CD2 HIS A 173 -0.064 0.481 -2.133 1.00 0.52 C ATOM 309 CE1 HIS A 173 -1.819 1.186 -3.241 1.00 0.48 C ATOM 310 NE2 HIS A 173 -1.398 0.276 -2.381 1.00 0.53 N ATOM 0 H HIS A 173 0.582 3.628 -1.288 1.00 0.23 H new ATOM 0 HA HIS A 173 2.508 1.582 -1.133 1.00 0.24 H new ATOM 0 HB2 HIS A 173 1.535 3.149 -3.553 1.00 0.31 H new ATOM 0 HB3 HIS A 173 2.318 1.582 -3.589 1.00 0.31 H new ATOM 0 HD2 HIS A 173 0.561 -0.102 -1.472 1.00 0.52 H new ATOM 0 HE1 HIS A 173 -2.825 1.276 -3.624 1.00 0.48 H new ATOM 0 HE2 HIS A 173 -1.971 -0.460 -1.968 1.00 0.53 H new ATOM 319 N LEU A 174 3.595 4.469 -2.334 1.00 0.22 N ATOM 320 CA LEU A 174 4.798 5.252 -2.593 1.00 0.26 C ATOM 321 C LEU A 174 5.682 5.310 -1.352 1.00 0.24 C ATOM 322 O LEU A 174 6.882 5.046 -1.420 1.00 0.29 O ATOM 323 CB LEU A 174 4.425 6.668 -3.034 1.00 0.31 C ATOM 324 CG LEU A 174 3.576 6.747 -4.302 1.00 0.36 C ATOM 325 CD1 LEU A 174 3.189 8.188 -4.597 1.00 0.42 C ATOM 326 CD2 LEU A 174 4.326 6.142 -5.480 1.00 0.42 C ATOM 0 H LEU A 174 2.723 4.961 -2.527 1.00 0.22 H new ATOM 0 HA LEU A 174 5.355 4.766 -3.394 1.00 0.26 H new ATOM 0 HB2 LEU A 174 3.885 7.155 -2.222 1.00 0.31 H new ATOM 0 HB3 LEU A 174 5.342 7.236 -3.193 1.00 0.31 H new ATOM 0 HG LEU A 174 2.663 6.174 -4.143 1.00 0.36 H new ATOM 0 HD11 LEU A 174 2.585 8.224 -5.503 1.00 0.42 H new ATOM 0 HD12 LEU A 174 2.615 8.589 -3.762 1.00 0.42 H new ATOM 0 HD13 LEU A 174 4.090 8.785 -4.737 1.00 0.42 H new ATOM 0 HD21 LEU A 174 3.708 6.206 -6.376 1.00 0.42 H new ATOM 0 HD22 LEU A 174 5.255 6.690 -5.640 1.00 0.42 H new ATOM 0 HD23 LEU A 174 4.553 5.097 -5.269 1.00 0.42 H new ATOM 338 N LEU A 175 5.080 5.659 -0.220 1.00 0.23 N ATOM 339 CA LEU A 175 5.813 5.750 1.036 1.00 0.27 C ATOM 340 C LEU A 175 6.458 4.415 1.387 1.00 0.24 C ATOM 341 O LEU A 175 7.638 4.359 1.732 1.00 0.27 O ATOM 342 CB LEU A 175 4.881 6.202 2.163 1.00 0.32 C ATOM 343 CG LEU A 175 4.370 7.638 2.040 1.00 0.37 C ATOM 344 CD1 LEU A 175 3.357 7.941 3.133 1.00 0.46 C ATOM 345 CD2 LEU A 175 5.529 8.621 2.098 1.00 0.46 C ATOM 0 H LEU A 175 4.088 5.883 -0.147 1.00 0.23 H new ATOM 0 HA LEU A 175 6.605 6.490 0.916 1.00 0.27 H new ATOM 0 HB2 LEU A 175 4.024 5.529 2.198 1.00 0.32 H new ATOM 0 HB3 LEU A 175 5.406 6.099 3.112 1.00 0.32 H new ATOM 0 HG LEU A 175 3.874 7.746 1.075 1.00 0.37 H new ATOM 0 HD11 LEU A 175 3.005 8.967 3.029 1.00 0.46 H new ATOM 0 HD12 LEU A 175 2.513 7.257 3.046 1.00 0.46 H new ATOM 0 HD13 LEU A 175 3.826 7.816 4.109 1.00 0.46 H new ATOM 0 HD21 LEU A 175 5.148 9.638 2.009 1.00 0.46 H new ATOM 0 HD22 LEU A 175 6.052 8.511 3.048 1.00 0.46 H new ATOM 0 HD23 LEU A 175 6.219 8.419 1.279 1.00 0.46 H new ATOM 357 N ALA A 176 5.682 3.339 1.295 1.00 0.21 N ATOM 358 CA ALA A 176 6.191 2.008 1.604 1.00 0.21 C ATOM 359 C ALA A 176 7.473 1.726 0.830 1.00 0.19 C ATOM 360 O ALA A 176 8.496 1.351 1.410 1.00 0.21 O ATOM 361 CB ALA A 176 5.139 0.954 1.291 1.00 0.21 C ATOM 0 H ALA A 176 4.703 3.363 1.010 1.00 0.21 H new ATOM 0 HA ALA A 176 6.420 1.968 2.669 1.00 0.21 H new ATOM 0 HB1 ALA A 176 5.533 -0.035 1.527 1.00 0.21 H new ATOM 0 HB2 ALA A 176 4.247 1.141 1.889 1.00 0.21 H new ATOM 0 HB3 ALA A 176 4.882 0.999 0.233 1.00 0.21 H new ATOM 367 N ILE A 177 7.416 1.915 -0.485 1.00 0.18 N ATOM 368 CA ILE A 177 8.578 1.693 -1.331 1.00 0.20 C ATOM 369 C ILE A 177 9.729 2.578 -0.874 1.00 0.21 C ATOM 370 O ILE A 177 10.876 2.138 -0.808 1.00 0.23 O ATOM 371 CB ILE A 177 8.266 1.977 -2.814 1.00 0.23 C ATOM 372 CG1 ILE A 177 7.134 1.069 -3.300 1.00 0.25 C ATOM 373 CG2 ILE A 177 9.511 1.780 -3.669 1.00 0.27 C ATOM 374 CD1 ILE A 177 6.820 1.225 -4.771 1.00 0.47 C ATOM 0 H ILE A 177 6.580 2.220 -0.984 1.00 0.18 H new ATOM 0 HA ILE A 177 8.858 0.644 -1.240 1.00 0.20 H new ATOM 0 HB ILE A 177 7.946 3.015 -2.909 1.00 0.23 H new ATOM 0 HG12 ILE A 177 7.402 0.031 -3.103 1.00 0.25 H new ATOM 0 HG13 ILE A 177 6.235 1.282 -2.721 1.00 0.25 H new ATOM 0 HG21 ILE A 177 9.272 1.985 -4.713 1.00 0.27 H new ATOM 0 HG22 ILE A 177 10.293 2.462 -3.335 1.00 0.27 H new ATOM 0 HG23 ILE A 177 9.860 0.752 -3.572 1.00 0.27 H new ATOM 0 HD11 ILE A 177 6.008 0.551 -5.043 1.00 0.47 H new ATOM 0 HD12 ILE A 177 6.520 2.253 -4.972 1.00 0.47 H new ATOM 0 HD13 ILE A 177 7.705 0.984 -5.360 1.00 0.47 H new ATOM 386 N GLY A 178 9.411 3.829 -0.554 1.00 0.20 N ATOM 387 CA GLY A 178 10.429 4.752 -0.092 1.00 0.23 C ATOM 388 C GLY A 178 11.170 4.204 1.109 1.00 0.22 C ATOM 389 O GLY A 178 12.392 4.323 1.201 1.00 0.23 O ATOM 0 H GLY A 178 8.469 4.218 -0.607 1.00 0.20 H new ATOM 0 HA2 GLY A 178 11.136 4.949 -0.898 1.00 0.23 H new ATOM 0 HA3 GLY A 178 9.967 5.705 0.167 1.00 0.23 H new ATOM 393 N LEU A 179 10.425 3.603 2.033 1.00 0.21 N ATOM 394 CA LEU A 179 11.021 3.019 3.227 1.00 0.23 C ATOM 395 C LEU A 179 12.058 1.977 2.833 1.00 0.21 C ATOM 396 O LEU A 179 13.201 2.018 3.287 1.00 0.24 O ATOM 397 CB LEU A 179 9.945 2.377 4.106 1.00 0.27 C ATOM 398 CG LEU A 179 8.822 3.314 4.554 1.00 0.30 C ATOM 399 CD1 LEU A 179 7.871 2.596 5.499 1.00 0.36 C ATOM 400 CD2 LEU A 179 9.398 4.558 5.215 1.00 0.36 C ATOM 0 H LEU A 179 9.411 3.509 1.977 1.00 0.21 H new ATOM 0 HA LEU A 179 11.507 3.812 3.796 1.00 0.23 H new ATOM 0 HB2 LEU A 179 9.504 1.543 3.561 1.00 0.27 H new ATOM 0 HB3 LEU A 179 10.424 1.961 4.992 1.00 0.27 H new ATOM 0 HG LEU A 179 8.259 3.623 3.673 1.00 0.30 H new ATOM 0 HD11 LEU A 179 7.079 3.279 5.807 1.00 0.36 H new ATOM 0 HD12 LEU A 179 7.432 1.737 4.991 1.00 0.36 H new ATOM 0 HD13 LEU A 179 8.419 2.256 6.378 1.00 0.36 H new ATOM 0 HD21 LEU A 179 8.585 5.213 5.527 1.00 0.36 H new ATOM 0 HD22 LEU A 179 9.986 4.268 6.086 1.00 0.36 H new ATOM 0 HD23 LEU A 179 10.036 5.085 4.506 1.00 0.36 H new ATOM 412 N GLY A 180 11.648 1.043 1.979 1.00 0.20 N ATOM 413 CA GLY A 180 12.556 0.006 1.527 1.00 0.23 C ATOM 414 C GLY A 180 13.836 0.578 0.950 1.00 0.24 C ATOM 415 O GLY A 180 14.929 0.100 1.250 1.00 0.28 O ATOM 0 H GLY A 180 10.705 0.987 1.593 1.00 0.20 H new ATOM 0 HA2 GLY A 180 12.798 -0.652 2.362 1.00 0.23 H new ATOM 0 HA3 GLY A 180 12.060 -0.605 0.773 1.00 0.23 H new ATOM 419 N ILE A 181 13.697 1.606 0.118 1.00 0.26 N ATOM 420 CA ILE A 181 14.848 2.250 -0.501 1.00 0.32 C ATOM 421 C ILE A 181 15.761 2.865 0.555 1.00 0.33 C ATOM 422 O ILE A 181 16.975 2.662 0.539 1.00 0.34 O ATOM 423 CB ILE A 181 14.412 3.349 -1.492 1.00 0.41 C ATOM 424 CG1 ILE A 181 13.498 2.762 -2.567 1.00 0.47 C ATOM 425 CG2 ILE A 181 15.628 4.009 -2.126 1.00 0.52 C ATOM 426 CD1 ILE A 181 14.155 1.676 -3.391 1.00 0.90 C ATOM 0 H ILE A 181 12.797 2.010 -0.142 1.00 0.26 H new ATOM 0 HA ILE A 181 15.392 1.478 -1.045 1.00 0.32 H new ATOM 0 HB ILE A 181 13.857 4.110 -0.944 1.00 0.41 H new ATOM 0 HG12 ILE A 181 12.605 2.356 -2.091 1.00 0.47 H new ATOM 0 HG13 ILE A 181 13.170 3.562 -3.230 1.00 0.47 H new ATOM 0 HG21 ILE A 181 15.301 4.781 -2.822 1.00 0.52 H new ATOM 0 HG22 ILE A 181 16.245 4.459 -1.348 1.00 0.52 H new ATOM 0 HG23 ILE A 181 16.210 3.260 -2.663 1.00 0.52 H new ATOM 0 HD11 ILE A 181 13.449 1.305 -4.134 1.00 0.90 H new ATOM 0 HD12 ILE A 181 15.032 2.082 -3.895 1.00 0.90 H new ATOM 0 HD13 ILE A 181 14.458 0.857 -2.738 1.00 0.90 H new ATOM 438 N TYR A 182 15.165 3.619 1.473 1.00 0.35 N ATOM 439 CA TYR A 182 15.916 4.268 2.539 1.00 0.42 C ATOM 440 C TYR A 182 16.730 3.248 3.329 1.00 0.40 C ATOM 441 O TYR A 182 17.932 3.419 3.528 1.00 0.46 O ATOM 442 CB TYR A 182 14.963 5.017 3.473 1.00 0.49 C ATOM 443 CG TYR A 182 15.662 5.762 4.588 1.00 0.62 C ATOM 444 CD1 TYR A 182 16.110 7.065 4.405 1.00 1.34 C ATOM 445 CD2 TYR A 182 15.871 5.164 5.825 1.00 1.16 C ATOM 446 CE1 TYR A 182 16.746 7.750 5.422 1.00 1.44 C ATOM 447 CE2 TYR A 182 16.505 5.843 6.847 1.00 1.25 C ATOM 448 CZ TYR A 182 16.940 7.135 6.641 1.00 0.93 C ATOM 449 OH TYR A 182 17.572 7.815 7.657 1.00 1.09 O ATOM 0 H TYR A 182 14.161 3.795 1.499 1.00 0.35 H new ATOM 0 HA TYR A 182 16.606 4.981 2.087 1.00 0.42 H new ATOM 0 HB2 TYR A 182 14.377 5.725 2.887 1.00 0.49 H new ATOM 0 HB3 TYR A 182 14.261 4.305 3.908 1.00 0.49 H new ATOM 0 HD1 TYR A 182 15.958 7.550 3.452 1.00 1.34 H new ATOM 0 HD2 TYR A 182 15.532 4.152 5.990 1.00 1.16 H new ATOM 0 HE1 TYR A 182 17.089 8.762 5.263 1.00 1.44 H new ATOM 0 HE2 TYR A 182 16.659 5.364 7.803 1.00 1.25 H new ATOM 0 HH TYR A 182 16.969 7.888 8.426 1.00 1.09 H new ATOM 459 N ILE A 183 16.069 2.185 3.774 1.00 0.36 N ATOM 460 CA ILE A 183 16.731 1.136 4.541 1.00 0.42 C ATOM 461 C ILE A 183 17.936 0.581 3.785 1.00 0.41 C ATOM 462 O ILE A 183 18.991 0.339 4.371 1.00 0.46 O ATOM 463 CB ILE A 183 15.758 -0.016 4.868 1.00 0.47 C ATOM 464 CG1 ILE A 183 14.565 0.509 5.669 1.00 0.56 C ATOM 465 CG2 ILE A 183 16.470 -1.119 5.638 1.00 0.58 C ATOM 466 CD1 ILE A 183 13.482 -0.525 5.883 1.00 0.80 C ATOM 0 H ILE A 183 15.074 2.027 3.616 1.00 0.36 H new ATOM 0 HA ILE A 183 17.071 1.586 5.473 1.00 0.42 H new ATOM 0 HB ILE A 183 15.393 -0.435 3.930 1.00 0.47 H new ATOM 0 HG12 ILE A 183 14.916 0.863 6.639 1.00 0.56 H new ATOM 0 HG13 ILE A 183 14.139 1.368 5.151 1.00 0.56 H new ATOM 0 HG21 ILE A 183 15.766 -1.921 5.859 1.00 0.58 H new ATOM 0 HG22 ILE A 183 17.290 -1.511 5.037 1.00 0.58 H new ATOM 0 HG23 ILE A 183 16.864 -0.716 6.571 1.00 0.58 H new ATOM 0 HD11 ILE A 183 12.667 -0.085 6.458 1.00 0.80 H new ATOM 0 HD12 ILE A 183 13.104 -0.862 4.917 1.00 0.80 H new ATOM 0 HD13 ILE A 183 13.893 -1.375 6.428 1.00 0.80 H new ATOM 478 N GLY A 184 17.769 0.382 2.482 1.00 0.39 N ATOM 479 CA GLY A 184 18.850 -0.143 1.668 1.00 0.46 C ATOM 480 C GLY A 184 20.057 0.774 1.646 1.00 0.50 C ATOM 481 O GLY A 184 21.184 0.336 1.876 1.00 0.55 O ATOM 0 H GLY A 184 16.905 0.575 1.975 1.00 0.39 H new ATOM 0 HA2 GLY A 184 19.147 -1.120 2.050 1.00 0.46 H new ATOM 0 HA3 GLY A 184 18.493 -0.294 0.649 1.00 0.46 H new ATOM 485 N ARG A 185 19.820 2.052 1.366 1.00 0.53 N ATOM 486 CA ARG A 185 20.894 3.037 1.314 1.00 0.65 C ATOM 487 C ARG A 185 21.588 3.177 2.668 1.00 0.67 C ATOM 488 O ARG A 185 22.702 3.695 2.750 1.00 0.76 O ATOM 489 CB ARG A 185 20.347 4.392 0.862 1.00 0.76 C ATOM 490 CG ARG A 185 19.238 4.924 1.745 1.00 0.72 C ATOM 491 CD ARG A 185 18.906 6.370 1.417 1.00 0.81 C ATOM 492 NE ARG A 185 18.407 6.521 0.052 1.00 1.27 N ATOM 493 CZ ARG A 185 17.702 7.568 -0.363 1.00 1.59 C ATOM 494 NH1 ARG A 185 17.409 8.549 0.479 1.00 1.66 N ATOM 495 NH2 ARG A 185 17.290 7.635 -1.621 1.00 2.24 N ATOM 0 H ARG A 185 18.893 2.430 1.172 1.00 0.53 H new ATOM 0 HA ARG A 185 21.632 2.689 0.592 1.00 0.65 H new ATOM 0 HB2 ARG A 185 21.162 5.115 0.842 1.00 0.76 H new ATOM 0 HB3 ARG A 185 19.976 4.302 -0.159 1.00 0.76 H new ATOM 0 HG2 ARG A 185 18.347 4.309 1.621 1.00 0.72 H new ATOM 0 HG3 ARG A 185 19.536 4.847 2.791 1.00 0.72 H new ATOM 0 HD2 ARG A 185 18.158 6.739 2.119 1.00 0.81 H new ATOM 0 HD3 ARG A 185 19.796 6.985 1.548 1.00 0.81 H new ATOM 0 HE ARG A 185 18.611 5.781 -0.620 1.00 1.27 H new ATOM 0 HH11 ARG A 185 17.725 8.501 1.448 1.00 1.66 H new ATOM 0 HH12 ARG A 185 16.868 9.352 0.158 1.00 1.66 H new ATOM 0 HH21 ARG A 185 17.514 6.882 -2.272 1.00 2.24 H new ATOM 0 HH22 ARG A 185 16.749 8.439 -1.938 1.00 2.24 H new ATOM 509 N ARG A 186 20.927 2.718 3.729 1.00 0.63 N ATOM 510 CA ARG A 186 21.494 2.798 5.071 1.00 0.73 C ATOM 511 C ARG A 186 21.516 1.427 5.741 1.00 0.74 C ATOM 512 O ARG A 186 21.009 1.260 6.850 1.00 0.86 O ATOM 513 CB ARG A 186 20.698 3.781 5.932 1.00 0.81 C ATOM 514 CG ARG A 186 19.240 3.393 6.108 1.00 1.80 C ATOM 515 CD ARG A 186 18.799 3.522 7.558 1.00 2.20 C ATOM 516 NE ARG A 186 18.941 4.887 8.057 1.00 2.90 N ATOM 517 CZ ARG A 186 18.646 5.248 9.300 1.00 3.61 C ATOM 518 NH1 ARG A 186 18.198 4.347 10.166 1.00 3.86 N ATOM 519 NH2 ARG A 186 18.798 6.510 9.682 1.00 4.48 N ATOM 0 H ARG A 186 20.003 2.289 3.685 1.00 0.63 H new ATOM 0 HA ARG A 186 22.520 3.154 4.977 1.00 0.73 H new ATOM 0 HB2 ARG A 186 21.167 3.854 6.913 1.00 0.81 H new ATOM 0 HB3 ARG A 186 20.750 4.771 5.480 1.00 0.81 H new ATOM 0 HG2 ARG A 186 18.615 4.027 5.479 1.00 1.80 H new ATOM 0 HG3 ARG A 186 19.093 2.367 5.772 1.00 1.80 H new ATOM 0 HD2 ARG A 186 17.759 3.210 7.649 1.00 2.20 H new ATOM 0 HD3 ARG A 186 19.390 2.847 8.177 1.00 2.20 H new ATOM 0 HE ARG A 186 19.285 5.602 7.416 1.00 2.90 H new ATOM 0 HH11 ARG A 186 18.080 3.376 9.877 1.00 3.86 H new ATOM 0 HH12 ARG A 186 17.972 4.626 11.121 1.00 3.86 H new ATOM 0 HH21 ARG A 186 19.142 7.205 9.020 1.00 4.48 H new ATOM 0 HH22 ARG A 186 18.571 6.784 10.638 1.00 4.48 H new ATOM 533 N LEU A 187 22.104 0.448 5.062 1.00 0.73 N ATOM 534 CA LEU A 187 22.197 -0.905 5.598 1.00 0.84 C ATOM 535 C LEU A 187 23.419 -1.042 6.498 1.00 1.03 C ATOM 536 O LEU A 187 23.325 -1.535 7.622 1.00 1.21 O ATOM 537 CB LEU A 187 22.270 -1.929 4.464 1.00 0.83 C ATOM 538 CG LEU A 187 20.962 -2.151 3.706 1.00 0.78 C ATOM 539 CD1 LEU A 187 21.180 -3.088 2.528 1.00 0.90 C ATOM 540 CD2 LEU A 187 19.895 -2.705 4.638 1.00 0.98 C ATOM 0 H LEU A 187 22.523 0.566 4.140 1.00 0.73 H new ATOM 0 HA LEU A 187 21.301 -1.097 6.189 1.00 0.84 H new ATOM 0 HB2 LEU A 187 23.033 -1.609 3.755 1.00 0.83 H new ATOM 0 HB3 LEU A 187 22.599 -2.883 4.877 1.00 0.83 H new ATOM 0 HG LEU A 187 20.619 -1.190 3.321 1.00 0.78 H new ATOM 0 HD11 LEU A 187 20.238 -3.234 2.000 1.00 0.90 H new ATOM 0 HD12 LEU A 187 21.913 -2.653 1.848 1.00 0.90 H new ATOM 0 HD13 LEU A 187 21.546 -4.049 2.890 1.00 0.90 H new ATOM 0 HD21 LEU A 187 18.970 -2.857 4.082 1.00 0.98 H new ATOM 0 HD22 LEU A 187 20.231 -3.656 5.051 1.00 0.98 H new ATOM 0 HD23 LEU A 187 19.719 -1.999 5.450 1.00 0.98 H new ATOM 789 N SER B 168 -6.154 -6.958 1.111 1.00 0.84 N ATOM 790 CA SER B 168 -5.330 -6.585 -0.031 1.00 0.77 C ATOM 791 C SER B 168 -4.520 -5.330 0.275 1.00 0.60 C ATOM 792 O SER B 168 -3.332 -5.254 -0.040 1.00 0.54 O ATOM 793 CB SER B 168 -6.204 -6.355 -1.267 1.00 0.90 C ATOM 794 OG SER B 168 -6.906 -7.534 -1.620 1.00 1.54 O ATOM 0 HA SER B 168 -4.639 -7.404 -0.233 1.00 0.77 H new ATOM 0 HB2 SER B 168 -6.913 -5.551 -1.071 1.00 0.90 H new ATOM 0 HB3 SER B 168 -5.581 -6.034 -2.102 1.00 0.90 H new ATOM 0 HG SER B 168 -7.111 -8.047 -0.811 1.00 1.54 H new ATOM 800 N LEU B 169 -5.170 -4.349 0.893 1.00 0.60 N ATOM 801 CA LEU B 169 -4.509 -3.097 1.246 1.00 0.52 C ATOM 802 C LEU B 169 -3.292 -3.349 2.133 1.00 0.44 C ATOM 803 O LEU B 169 -2.197 -2.865 1.850 1.00 0.37 O ATOM 804 CB LEU B 169 -5.487 -2.158 1.956 1.00 0.63 C ATOM 805 CG LEU B 169 -6.637 -1.642 1.087 1.00 0.72 C ATOM 806 CD1 LEU B 169 -7.477 -0.635 1.858 1.00 0.86 C ATOM 807 CD2 LEU B 169 -6.098 -1.021 -0.193 1.00 0.76 C ATOM 0 H LEU B 169 -6.153 -4.397 1.160 1.00 0.60 H new ATOM 0 HA LEU B 169 -4.170 -2.626 0.323 1.00 0.52 H new ATOM 0 HB2 LEU B 169 -5.907 -2.679 2.816 1.00 0.63 H new ATOM 0 HB3 LEU B 169 -4.931 -1.303 2.341 1.00 0.63 H new ATOM 0 HG LEU B 169 -7.273 -2.485 0.819 1.00 0.72 H new ATOM 0 HD11 LEU B 169 -8.290 -0.279 1.225 1.00 0.86 H new ATOM 0 HD12 LEU B 169 -7.891 -1.111 2.747 1.00 0.86 H new ATOM 0 HD13 LEU B 169 -6.853 0.208 2.156 1.00 0.86 H new ATOM 0 HD21 LEU B 169 -6.928 -0.659 -0.800 1.00 0.76 H new ATOM 0 HD22 LEU B 169 -5.440 -0.188 0.056 1.00 0.76 H new ATOM 0 HD23 LEU B 169 -5.539 -1.770 -0.753 1.00 0.76 H new ATOM 819 N LEU B 170 -3.490 -4.110 3.205 1.00 0.51 N ATOM 820 CA LEU B 170 -2.403 -4.419 4.128 1.00 0.52 C ATOM 821 C LEU B 170 -1.273 -5.151 3.411 1.00 0.44 C ATOM 822 O LEU B 170 -0.101 -4.813 3.573 1.00 0.40 O ATOM 823 CB LEU B 170 -2.910 -5.263 5.301 1.00 0.67 C ATOM 824 CG LEU B 170 -3.776 -4.514 6.320 1.00 0.80 C ATOM 825 CD1 LEU B 170 -5.096 -4.086 5.699 1.00 0.86 C ATOM 826 CD2 LEU B 170 -4.020 -5.378 7.547 1.00 0.93 C ATOM 0 H LEU B 170 -4.389 -4.522 3.455 1.00 0.51 H new ATOM 0 HA LEU B 170 -2.017 -3.476 4.516 1.00 0.52 H new ATOM 0 HB2 LEU B 170 -3.486 -6.099 4.904 1.00 0.67 H new ATOM 0 HB3 LEU B 170 -2.051 -5.687 5.821 1.00 0.67 H new ATOM 0 HG LEU B 170 -3.239 -3.617 6.628 1.00 0.80 H new ATOM 0 HD11 LEU B 170 -5.693 -3.557 6.442 1.00 0.86 H new ATOM 0 HD12 LEU B 170 -4.903 -3.428 4.852 1.00 0.86 H new ATOM 0 HD13 LEU B 170 -5.640 -4.967 5.357 1.00 0.86 H new ATOM 0 HD21 LEU B 170 -4.636 -4.831 8.260 1.00 0.93 H new ATOM 0 HD22 LEU B 170 -4.533 -6.293 7.251 1.00 0.93 H new ATOM 0 HD23 LEU B 170 -3.066 -5.630 8.010 1.00 0.93 H new ATOM 838 N LEU B 171 -1.633 -6.156 2.619 1.00 0.45 N ATOM 839 CA LEU B 171 -0.649 -6.930 1.872 1.00 0.45 C ATOM 840 C LEU B 171 0.104 -6.042 0.888 1.00 0.37 C ATOM 841 O LEU B 171 1.325 -6.134 0.760 1.00 0.38 O ATOM 842 CB LEU B 171 -1.330 -8.078 1.122 1.00 0.54 C ATOM 843 CG LEU B 171 -1.955 -9.152 2.013 1.00 0.65 C ATOM 844 CD1 LEU B 171 -2.724 -10.161 1.173 1.00 0.74 C ATOM 845 CD2 LEU B 171 -0.881 -9.849 2.834 1.00 0.74 C ATOM 0 H LEU B 171 -2.599 -6.453 2.478 1.00 0.45 H new ATOM 0 HA LEU B 171 0.065 -7.345 2.583 1.00 0.45 H new ATOM 0 HB2 LEU B 171 -2.107 -7.662 0.480 1.00 0.54 H new ATOM 0 HB3 LEU B 171 -0.597 -8.551 0.469 1.00 0.54 H new ATOM 0 HG LEU B 171 -2.655 -8.671 2.696 1.00 0.65 H new ATOM 0 HD11 LEU B 171 -3.162 -10.918 1.824 1.00 0.74 H new ATOM 0 HD12 LEU B 171 -3.516 -9.650 0.626 1.00 0.74 H new ATOM 0 HD13 LEU B 171 -2.045 -10.639 0.467 1.00 0.74 H new ATOM 0 HD21 LEU B 171 -1.341 -10.611 3.463 1.00 0.74 H new ATOM 0 HD22 LEU B 171 -0.159 -10.318 2.165 1.00 0.74 H new ATOM 0 HD23 LEU B 171 -0.372 -9.118 3.462 1.00 0.74 H new ATOM 857 N SER B 172 -0.634 -5.181 0.197 1.00 0.32 N ATOM 858 CA SER B 172 -0.041 -4.274 -0.780 1.00 0.31 C ATOM 859 C SER B 172 1.094 -3.469 -0.156 1.00 0.26 C ATOM 860 O SER B 172 2.174 -3.352 -0.734 1.00 0.30 O ATOM 861 CB SER B 172 -1.105 -3.325 -1.336 1.00 0.33 C ATOM 862 OG SER B 172 -2.154 -4.043 -1.963 1.00 0.40 O ATOM 0 H SER B 172 -1.645 -5.091 0.295 1.00 0.32 H new ATOM 0 HA SER B 172 0.366 -4.873 -1.595 1.00 0.31 H new ATOM 0 HB2 SER B 172 -1.510 -2.715 -0.528 1.00 0.33 H new ATOM 0 HB3 SER B 172 -0.649 -2.642 -2.053 1.00 0.33 H new ATOM 0 HG SER B 172 -2.858 -4.232 -1.308 1.00 0.40 H new ATOM 868 N HIS B 173 0.840 -2.917 1.025 1.00 0.22 N ATOM 869 CA HIS B 173 1.840 -2.122 1.728 1.00 0.23 C ATOM 870 C HIS B 173 3.070 -2.960 2.059 1.00 0.23 C ATOM 871 O HIS B 173 4.197 -2.575 1.748 1.00 0.25 O ATOM 872 CB HIS B 173 1.246 -1.536 3.011 1.00 0.28 C ATOM 873 CG HIS B 173 0.048 -0.671 2.771 1.00 0.28 C ATOM 874 ND1 HIS B 173 -1.193 -0.935 3.312 1.00 0.34 N ATOM 875 CD2 HIS B 173 -0.095 0.462 2.043 1.00 0.36 C ATOM 876 CE1 HIS B 173 -2.047 -0.002 2.927 1.00 0.35 C ATOM 877 NE2 HIS B 173 -1.404 0.857 2.158 1.00 0.36 N ATOM 0 H HIS B 173 -0.050 -3.005 1.516 1.00 0.22 H new ATOM 0 HA HIS B 173 2.146 -1.307 1.072 1.00 0.23 H new ATOM 0 HB2 HIS B 173 0.968 -2.351 3.679 1.00 0.28 H new ATOM 0 HB3 HIS B 173 2.011 -0.951 3.522 1.00 0.28 H new ATOM 0 HD1 HIS B 173 -1.417 -1.727 3.915 1.00 0.34 H new ATOM 0 HD2 HIS B 173 0.677 0.962 1.477 1.00 0.36 H new ATOM 0 HE1 HIS B 173 -3.092 0.049 3.196 1.00 0.35 H new ATOM 886 N LEU B 174 2.848 -4.106 2.693 1.00 0.24 N ATOM 887 CA LEU B 174 3.942 -4.996 3.064 1.00 0.27 C ATOM 888 C LEU B 174 4.794 -5.348 1.849 1.00 0.23 C ATOM 889 O LEU B 174 6.017 -5.216 1.876 1.00 0.24 O ATOM 890 CB LEU B 174 3.396 -6.273 3.705 1.00 0.33 C ATOM 891 CG LEU B 174 2.591 -6.061 4.987 1.00 0.40 C ATOM 892 CD1 LEU B 174 2.172 -7.397 5.580 1.00 0.48 C ATOM 893 CD2 LEU B 174 3.397 -5.256 5.995 1.00 0.47 C ATOM 0 H LEU B 174 1.922 -4.440 2.960 1.00 0.24 H new ATOM 0 HA LEU B 174 4.570 -4.475 3.787 1.00 0.27 H new ATOM 0 HB2 LEU B 174 2.765 -6.785 2.978 1.00 0.33 H new ATOM 0 HB3 LEU B 174 4.232 -6.937 3.925 1.00 0.33 H new ATOM 0 HG LEU B 174 1.691 -5.498 4.740 1.00 0.40 H new ATOM 0 HD11 LEU B 174 1.600 -7.227 6.492 1.00 0.48 H new ATOM 0 HD12 LEU B 174 1.556 -7.937 4.861 1.00 0.48 H new ATOM 0 HD13 LEU B 174 3.059 -7.986 5.813 1.00 0.48 H new ATOM 0 HD21 LEU B 174 2.809 -5.115 6.902 1.00 0.47 H new ATOM 0 HD22 LEU B 174 4.315 -5.792 6.238 1.00 0.47 H new ATOM 0 HD23 LEU B 174 3.646 -4.284 5.569 1.00 0.47 H new ATOM 905 N LEU B 175 4.138 -5.797 0.784 1.00 0.22 N ATOM 906 CA LEU B 175 4.837 -6.166 -0.442 1.00 0.23 C ATOM 907 C LEU B 175 5.632 -4.986 -0.991 1.00 0.21 C ATOM 908 O LEU B 175 6.778 -5.139 -1.412 1.00 0.23 O ATOM 909 CB LEU B 175 3.840 -6.659 -1.493 1.00 0.27 C ATOM 910 CG LEU B 175 3.052 -7.911 -1.101 1.00 0.32 C ATOM 911 CD1 LEU B 175 2.055 -8.275 -2.189 1.00 0.38 C ATOM 912 CD2 LEU B 175 3.998 -9.071 -0.831 1.00 0.38 C ATOM 0 H LEU B 175 3.125 -5.914 0.745 1.00 0.22 H new ATOM 0 HA LEU B 175 5.533 -6.971 -0.206 1.00 0.23 H new ATOM 0 HB2 LEU B 175 3.134 -5.856 -1.707 1.00 0.27 H new ATOM 0 HB3 LEU B 175 4.381 -6.863 -2.417 1.00 0.27 H new ATOM 0 HG LEU B 175 2.498 -7.699 -0.186 1.00 0.32 H new ATOM 0 HD11 LEU B 175 1.504 -9.168 -1.893 1.00 0.38 H new ATOM 0 HD12 LEU B 175 1.358 -7.450 -2.335 1.00 0.38 H new ATOM 0 HD13 LEU B 175 2.587 -8.469 -3.120 1.00 0.38 H new ATOM 0 HD21 LEU B 175 3.422 -9.954 -0.553 1.00 0.38 H new ATOM 0 HD22 LEU B 175 4.578 -9.284 -1.729 1.00 0.38 H new ATOM 0 HD23 LEU B 175 4.673 -8.808 -0.017 1.00 0.38 H new ATOM 924 N ALA B 176 5.017 -3.807 -0.982 1.00 0.21 N ATOM 925 CA ALA B 176 5.672 -2.602 -1.477 1.00 0.23 C ATOM 926 C ALA B 176 7.008 -2.382 -0.777 1.00 0.22 C ATOM 927 O ALA B 176 8.039 -2.208 -1.425 1.00 0.24 O ATOM 928 CB ALA B 176 4.768 -1.393 -1.285 1.00 0.26 C ATOM 0 H ALA B 176 4.068 -3.661 -0.638 1.00 0.21 H new ATOM 0 HA ALA B 176 5.864 -2.731 -2.542 1.00 0.23 H new ATOM 0 HB1 ALA B 176 5.270 -0.500 -1.659 1.00 0.26 H new ATOM 0 HB2 ALA B 176 3.838 -1.543 -1.833 1.00 0.26 H new ATOM 0 HB3 ALA B 176 4.548 -1.268 -0.225 1.00 0.26 H new ATOM 934 N ILE B 177 6.981 -2.393 0.552 1.00 0.20 N ATOM 935 CA ILE B 177 8.193 -2.201 1.338 1.00 0.21 C ATOM 936 C ILE B 177 9.266 -3.201 0.928 1.00 0.21 C ATOM 937 O ILE B 177 10.431 -2.844 0.757 1.00 0.22 O ATOM 938 CB ILE B 177 7.916 -2.355 2.847 1.00 0.22 C ATOM 939 CG1 ILE B 177 6.802 -1.404 3.284 1.00 0.24 C ATOM 940 CG2 ILE B 177 9.184 -2.095 3.648 1.00 0.25 C ATOM 941 CD1 ILE B 177 6.464 -1.510 4.755 1.00 0.29 C ATOM 0 H ILE B 177 6.135 -2.532 1.105 1.00 0.20 H new ATOM 0 HA ILE B 177 8.543 -1.187 1.144 1.00 0.21 H new ATOM 0 HB ILE B 177 7.591 -3.378 3.038 1.00 0.22 H new ATOM 0 HG12 ILE B 177 7.100 -0.380 3.060 1.00 0.24 H new ATOM 0 HG13 ILE B 177 5.907 -1.611 2.697 1.00 0.24 H new ATOM 0 HG21 ILE B 177 8.972 -2.208 4.711 1.00 0.25 H new ATOM 0 HG22 ILE B 177 9.953 -2.809 3.354 1.00 0.25 H new ATOM 0 HG23 ILE B 177 9.536 -1.082 3.453 1.00 0.25 H new ATOM 0 HD11 ILE B 177 5.666 -0.808 4.997 1.00 0.29 H new ATOM 0 HD12 ILE B 177 6.135 -2.524 4.981 1.00 0.29 H new ATOM 0 HD13 ILE B 177 7.347 -1.274 5.349 1.00 0.29 H new ATOM 953 N GLY B 178 8.863 -4.459 0.770 1.00 0.21 N ATOM 954 CA GLY B 178 9.799 -5.495 0.379 1.00 0.23 C ATOM 955 C GLY B 178 10.526 -5.162 -0.910 1.00 0.23 C ATOM 956 O GLY B 178 11.749 -5.276 -0.987 1.00 0.26 O ATOM 0 H GLY B 178 7.904 -4.778 0.906 1.00 0.21 H new ATOM 0 HA2 GLY B 178 10.528 -5.642 1.176 1.00 0.23 H new ATOM 0 HA3 GLY B 178 9.264 -6.437 0.258 1.00 0.23 H new ATOM 960 N LEU B 179 9.771 -4.750 -1.924 1.00 0.21 N ATOM 961 CA LEU B 179 10.354 -4.397 -3.212 1.00 0.23 C ATOM 962 C LEU B 179 11.424 -3.325 -3.042 1.00 0.24 C ATOM 963 O LEU B 179 12.528 -3.444 -3.573 1.00 0.28 O ATOM 964 CB LEU B 179 9.268 -3.903 -4.172 1.00 0.25 C ATOM 965 CG LEU B 179 8.190 -4.932 -4.515 1.00 0.27 C ATOM 966 CD1 LEU B 179 7.180 -4.340 -5.485 1.00 0.34 C ATOM 967 CD2 LEU B 179 8.821 -6.188 -5.098 1.00 0.33 C ATOM 0 H LEU B 179 8.757 -4.653 -1.878 1.00 0.21 H new ATOM 0 HA LEU B 179 10.818 -5.290 -3.632 1.00 0.23 H new ATOM 0 HB2 LEU B 179 8.787 -3.028 -3.734 1.00 0.25 H new ATOM 0 HB3 LEU B 179 9.743 -3.576 -5.097 1.00 0.25 H new ATOM 0 HG LEU B 179 7.666 -5.204 -3.599 1.00 0.27 H new ATOM 0 HD11 LEU B 179 6.420 -5.085 -5.719 1.00 0.34 H new ATOM 0 HD12 LEU B 179 6.707 -3.469 -5.031 1.00 0.34 H new ATOM 0 HD13 LEU B 179 7.688 -4.040 -6.402 1.00 0.34 H new ATOM 0 HD21 LEU B 179 8.040 -6.910 -5.337 1.00 0.33 H new ATOM 0 HD22 LEU B 179 9.369 -5.933 -6.005 1.00 0.33 H new ATOM 0 HD23 LEU B 179 9.507 -6.622 -4.370 1.00 0.33 H new ATOM 979 N GLY B 180 11.090 -2.279 -2.293 1.00 0.23 N ATOM 980 CA GLY B 180 12.031 -1.201 -2.061 1.00 0.27 C ATOM 981 C GLY B 180 13.327 -1.686 -1.440 1.00 0.29 C ATOM 982 O GLY B 180 14.413 -1.299 -1.873 1.00 0.34 O ATOM 0 H GLY B 180 10.183 -2.160 -1.842 1.00 0.23 H new ATOM 0 HA2 GLY B 180 12.248 -0.703 -3.006 1.00 0.27 H new ATOM 0 HA3 GLY B 180 11.574 -0.458 -1.407 1.00 0.27 H new ATOM 986 N ILE B 181 13.213 -2.534 -0.424 1.00 0.27 N ATOM 987 CA ILE B 181 14.385 -3.072 0.256 1.00 0.32 C ATOM 988 C ILE B 181 15.247 -3.892 -0.699 1.00 0.37 C ATOM 989 O ILE B 181 16.455 -3.681 -0.798 1.00 0.44 O ATOM 990 CB ILE B 181 13.982 -3.953 1.456 1.00 0.34 C ATOM 991 CG1 ILE B 181 13.123 -3.155 2.438 1.00 0.32 C ATOM 992 CG2 ILE B 181 15.219 -4.502 2.153 1.00 0.42 C ATOM 993 CD1 ILE B 181 12.589 -3.986 3.584 1.00 0.67 C ATOM 0 H ILE B 181 12.322 -2.863 -0.053 1.00 0.27 H new ATOM 0 HA ILE B 181 14.961 -2.220 0.618 1.00 0.32 H new ATOM 0 HB ILE B 181 13.394 -4.793 1.087 1.00 0.34 H new ATOM 0 HG12 ILE B 181 13.714 -2.332 2.840 1.00 0.32 H new ATOM 0 HG13 ILE B 181 12.285 -2.712 1.899 1.00 0.32 H new ATOM 0 HG21 ILE B 181 14.916 -5.121 2.997 1.00 0.42 H new ATOM 0 HG22 ILE B 181 15.796 -5.103 1.450 1.00 0.42 H new ATOM 0 HG23 ILE B 181 15.832 -3.675 2.511 1.00 0.42 H new ATOM 0 HD11 ILE B 181 11.989 -3.357 4.241 1.00 0.67 H new ATOM 0 HD12 ILE B 181 11.971 -4.793 3.191 1.00 0.67 H new ATOM 0 HD13 ILE B 181 13.422 -4.408 4.147 1.00 0.67 H new ATOM 1005 N TYR B 182 14.616 -4.829 -1.400 1.00 0.36 N ATOM 1006 CA TYR B 182 15.325 -5.683 -2.345 1.00 0.42 C ATOM 1007 C TYR B 182 16.146 -4.851 -3.327 1.00 0.45 C ATOM 1008 O TYR B 182 17.327 -5.117 -3.541 1.00 0.51 O ATOM 1009 CB TYR B 182 14.340 -6.571 -3.108 1.00 0.46 C ATOM 1010 CG TYR B 182 15.007 -7.526 -4.074 1.00 0.58 C ATOM 1011 CD1 TYR B 182 15.582 -8.708 -3.625 1.00 1.48 C ATOM 1012 CD2 TYR B 182 15.062 -7.244 -5.433 1.00 1.20 C ATOM 1013 CE1 TYR B 182 16.193 -9.582 -4.503 1.00 1.56 C ATOM 1014 CE2 TYR B 182 15.670 -8.113 -6.317 1.00 1.25 C ATOM 1015 CZ TYR B 182 16.236 -9.280 -5.848 1.00 0.83 C ATOM 1016 OH TYR B 182 16.843 -10.149 -6.725 1.00 0.97 O ATOM 0 H TYR B 182 13.616 -5.016 -1.331 1.00 0.36 H new ATOM 0 HA TYR B 182 16.007 -6.316 -1.777 1.00 0.42 H new ATOM 0 HB2 TYR B 182 13.751 -7.144 -2.392 1.00 0.46 H new ATOM 0 HB3 TYR B 182 13.644 -5.938 -3.659 1.00 0.46 H new ATOM 0 HD1 TYR B 182 15.551 -8.948 -2.572 1.00 1.48 H new ATOM 0 HD2 TYR B 182 14.622 -6.330 -5.804 1.00 1.20 H new ATOM 0 HE1 TYR B 182 16.635 -10.497 -4.138 1.00 1.56 H new ATOM 0 HE2 TYR B 182 15.702 -7.880 -7.371 1.00 1.25 H new ATOM 0 HH TYR B 182 16.786 -9.789 -7.635 1.00 0.97 H new ATOM 1026 N ILE B 183 15.510 -3.848 -3.926 1.00 0.44 N ATOM 1027 CA ILE B 183 16.188 -2.979 -4.883 1.00 0.50 C ATOM 1028 C ILE B 183 17.337 -2.225 -4.218 1.00 0.52 C ATOM 1029 O ILE B 183 18.442 -2.156 -4.753 1.00 0.59 O ATOM 1030 CB ILE B 183 15.212 -1.965 -5.514 1.00 0.55 C ATOM 1031 CG1 ILE B 183 14.071 -2.695 -6.224 1.00 0.59 C ATOM 1032 CG2 ILE B 183 15.943 -1.050 -6.487 1.00 0.64 C ATOM 1033 CD1 ILE B 183 13.069 -1.765 -6.874 1.00 0.83 C ATOM 0 H ILE B 183 14.529 -3.617 -3.766 1.00 0.44 H new ATOM 0 HA ILE B 183 16.586 -3.620 -5.670 1.00 0.50 H new ATOM 0 HB ILE B 183 14.791 -1.352 -4.717 1.00 0.55 H new ATOM 0 HG12 ILE B 183 14.490 -3.354 -6.985 1.00 0.59 H new ATOM 0 HG13 ILE B 183 13.553 -3.329 -5.504 1.00 0.59 H new ATOM 0 HG21 ILE B 183 15.237 -0.342 -6.921 1.00 0.64 H new ATOM 0 HG22 ILE B 183 16.724 -0.505 -5.957 1.00 0.64 H new ATOM 0 HG23 ILE B 183 16.392 -1.647 -7.280 1.00 0.64 H new ATOM 0 HD11 ILE B 183 12.289 -2.352 -7.358 1.00 0.83 H new ATOM 0 HD12 ILE B 183 12.622 -1.123 -6.115 1.00 0.83 H new ATOM 0 HD13 ILE B 183 13.574 -1.149 -7.618 1.00 0.83 H new ATOM 1045 N GLY B 184 17.064 -1.648 -3.055 1.00 0.50 N ATOM 1046 CA GLY B 184 18.088 -0.911 -2.341 1.00 0.57 C ATOM 1047 C GLY B 184 19.255 -1.787 -1.924 1.00 0.62 C ATOM 1048 O GLY B 184 20.410 -1.473 -2.211 1.00 0.69 O ATOM 0 H GLY B 184 16.154 -1.677 -2.594 1.00 0.50 H new ATOM 0 HA2 GLY B 184 18.454 -0.101 -2.972 1.00 0.57 H new ATOM 0 HA3 GLY B 184 17.649 -0.452 -1.455 1.00 0.57 H new ATOM 1052 N ARG B 185 18.950 -2.888 -1.245 1.00 0.62 N ATOM 1053 CA ARG B 185 19.975 -3.813 -0.775 1.00 0.72 C ATOM 1054 C ARG B 185 20.743 -4.448 -1.934 1.00 0.79 C ATOM 1055 O ARG B 185 21.955 -4.644 -1.849 1.00 0.88 O ATOM 1056 CB ARG B 185 19.346 -4.902 0.100 1.00 0.77 C ATOM 1057 CG ARG B 185 18.343 -5.775 -0.633 1.00 0.72 C ATOM 1058 CD ARG B 185 18.997 -7.023 -1.206 1.00 1.02 C ATOM 1059 NE ARG B 185 19.565 -7.871 -0.163 1.00 1.43 N ATOM 1060 CZ ARG B 185 20.023 -9.099 -0.382 1.00 2.03 C ATOM 1061 NH1 ARG B 185 19.986 -9.615 -1.602 1.00 2.27 N ATOM 1062 NH2 ARG B 185 20.523 -9.811 0.620 1.00 2.56 N ATOM 0 H ARG B 185 17.997 -3.162 -1.007 1.00 0.62 H new ATOM 0 HA ARG B 185 20.687 -3.240 -0.181 1.00 0.72 H new ATOM 0 HB2 ARG B 185 20.138 -5.534 0.502 1.00 0.77 H new ATOM 0 HB3 ARG B 185 18.851 -4.431 0.950 1.00 0.77 H new ATOM 0 HG2 ARG B 185 17.544 -6.064 0.050 1.00 0.72 H new ATOM 0 HG3 ARG B 185 17.883 -5.203 -1.438 1.00 0.72 H new ATOM 0 HD2 ARG B 185 18.259 -7.591 -1.773 1.00 1.02 H new ATOM 0 HD3 ARG B 185 19.782 -6.733 -1.905 1.00 1.02 H new ATOM 0 HE ARG B 185 19.613 -7.501 0.786 1.00 1.43 H new ATOM 0 HH11 ARG B 185 19.605 -9.069 -2.375 1.00 2.27 H new ATOM 0 HH12 ARG B 185 20.338 -10.558 -1.768 1.00 2.27 H new ATOM 0 HH21 ARG B 185 20.556 -9.416 1.560 1.00 2.56 H new ATOM 0 HH22 ARG B 185 20.874 -10.754 0.450 1.00 2.56 H new