USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 502 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 Set 1.1: A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0.178 K(o=0.18,f=-3.4!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 166 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ILE A 106 -5.518 -2.036 -15.495 1.00 0.00 N ATOM 200 CA ILE A 106 -4.553 -2.142 -14.348 1.00 0.00 C ATOM 201 C ILE A 106 -3.045 -2.006 -14.760 1.00 0.00 C ATOM 202 O ILE A 106 -2.305 -1.346 -14.020 1.00 0.00 O ATOM 203 CB ILE A 106 -4.788 -3.394 -13.421 1.00 0.00 C ATOM 204 CG1 ILE A 106 -4.822 -4.762 -14.163 1.00 0.00 C ATOM 205 CG2 ILE A 106 -6.025 -3.196 -12.504 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.845 -6.026 -13.289 1.00 0.00 C ATOM 0 HA ILE A 106 -4.787 -1.264 -13.746 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.900 -3.452 -12.792 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.702 -4.778 -14.806 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.950 -4.816 -14.815 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.159 -4.078 -11.878 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.873 -2.321 -11.871 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.913 -3.049 -13.118 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.868 -6.909 -13.927 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.952 -6.053 -12.664 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.731 -6.014 -12.655 1.00 0.00 H new ATOM 218 N LEU A 107 -2.586 -2.546 -15.920 1.00 0.00 N ATOM 219 CA LEU A 107 -1.225 -2.234 -16.445 1.00 0.00 C ATOM 220 C LEU A 107 -1.046 -0.740 -16.851 1.00 0.00 C ATOM 221 O LEU A 107 0.008 -0.189 -16.537 1.00 0.00 O ATOM 222 CB LEU A 107 -0.758 -3.180 -17.581 1.00 0.00 C ATOM 223 CG LEU A 107 0.765 -3.007 -17.906 1.00 0.00 C ATOM 224 CD1 LEU A 107 1.502 -4.339 -18.042 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.020 -2.107 -19.132 1.00 0.00 C ATOM 0 H LEU A 107 -3.125 -3.188 -16.502 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.568 -2.418 -15.595 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.951 -4.213 -17.294 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.344 -2.984 -18.479 1.00 0.00 H new ATOM 0 HG LEU A 107 1.181 -2.496 -17.038 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.552 -4.152 -18.267 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.424 -4.895 -17.108 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.056 -4.921 -18.848 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.093 -2.025 -19.307 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.542 -2.543 -20.009 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.606 -1.116 -18.948 1.00 0.00 H new ATOM 237 N LYS A 108 -2.018 -0.087 -17.522 1.00 0.00 N ATOM 238 CA LYS A 108 -2.002 1.389 -17.730 1.00 0.00 C ATOM 239 C LYS A 108 -1.824 2.259 -16.449 1.00 0.00 C ATOM 240 O LYS A 108 -1.118 3.267 -16.506 1.00 0.00 O ATOM 241 CB LYS A 108 -3.293 1.784 -18.457 1.00 0.00 C ATOM 242 CG LYS A 108 -3.272 3.259 -18.899 1.00 0.00 C ATOM 243 CD LYS A 108 -4.554 3.759 -19.600 1.00 0.00 C ATOM 244 CE LYS A 108 -4.765 3.232 -21.035 1.00 0.00 C ATOM 245 NZ LYS A 108 -5.990 3.782 -21.640 1.00 0.00 N ATOM 0 H LYS A 108 -2.827 -0.553 -17.932 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.109 1.600 -18.319 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.429 1.145 -19.330 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.146 1.613 -17.801 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.092 3.881 -18.022 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.428 3.407 -19.573 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.415 3.474 -18.995 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.532 4.848 -19.630 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.905 3.496 -21.650 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.824 2.144 -21.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.100 3.407 -22.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.813 3.509 -21.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.923 4.819 -21.678 1.00 0.00 H new ATOM 259 N ALA A 109 -2.420 1.841 -15.319 1.00 0.00 N ATOM 260 CA ALA A 109 -2.160 2.423 -13.977 1.00 0.00 C ATOM 261 C ALA A 109 -0.710 2.198 -13.409 1.00 0.00 C ATOM 262 O ALA A 109 -0.097 3.138 -12.880 1.00 0.00 O ATOM 263 CB ALA A 109 -3.277 1.885 -13.079 1.00 0.00 C ATOM 0 H ALA A 109 -3.103 1.083 -15.304 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.181 3.511 -14.031 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.150 2.274 -12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.243 2.202 -13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.234 0.796 -13.057 1.00 0.00 H new ATOM 269 N PHE A 110 -0.134 0.972 -13.528 1.00 0.00 N ATOM 270 CA PHE A 110 1.329 0.732 -13.293 1.00 0.00 C ATOM 271 C PHE A 110 2.195 1.649 -14.243 1.00 0.00 C ATOM 272 O PHE A 110 3.150 2.263 -13.771 1.00 0.00 O ATOM 273 CB PHE A 110 1.584 -0.794 -13.394 1.00 0.00 C ATOM 274 CG PHE A 110 3.046 -1.251 -13.238 1.00 0.00 C ATOM 275 CD1 PHE A 110 3.916 -1.212 -14.331 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.553 -1.566 -11.977 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.292 -1.346 -14.141 1.00 0.00 C ATOM 278 CE2 PHE A 110 4.933 -1.658 -11.780 1.00 0.00 C ATOM 279 CZ PHE A 110 5.803 -1.540 -12.861 1.00 0.00 C ATOM 0 H PHE A 110 -0.653 0.132 -13.784 1.00 0.00 H new ATOM 0 HA PHE A 110 1.647 1.028 -12.293 1.00 0.00 H new ATOM 0 HB2 PHE A 110 0.986 -1.292 -12.631 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.219 -1.139 -14.361 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.522 -1.078 -15.327 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.878 -1.739 -11.152 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.961 -1.299 -14.988 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.326 -1.821 -10.787 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.870 -1.599 -12.707 1.00 0.00 H new ATOM 289 N LYS A 111 1.823 1.801 -15.537 1.00 0.00 N ATOM 290 CA LYS A 111 2.347 2.859 -16.432 1.00 0.00 C ATOM 291 C LYS A 111 2.151 4.332 -15.934 1.00 0.00 C ATOM 292 O LYS A 111 2.996 5.168 -16.261 1.00 0.00 O ATOM 293 CB LYS A 111 1.612 2.633 -17.747 1.00 0.00 C ATOM 294 CG LYS A 111 2.580 2.765 -18.924 1.00 0.00 C ATOM 295 CD LYS A 111 1.954 2.300 -20.253 1.00 0.00 C ATOM 296 CE LYS A 111 2.896 2.471 -21.459 1.00 0.00 C ATOM 297 NZ LYS A 111 2.257 2.020 -22.707 1.00 0.00 N ATOM 0 H LYS A 111 1.146 1.188 -15.991 1.00 0.00 H new ATOM 0 HA LYS A 111 3.431 2.772 -16.498 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.156 1.643 -17.751 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.803 3.357 -17.849 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.895 3.804 -19.018 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.476 2.178 -18.722 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.671 1.251 -20.167 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.038 2.863 -20.433 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.183 3.518 -21.553 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.811 1.904 -21.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.917 2.148 -23.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.006 1.014 -22.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.397 2.579 -22.878 1.00 0.00 H new ATOM 311 N LEU A 112 1.091 4.663 -15.140 1.00 0.00 N ATOM 312 CA LEU A 112 0.993 5.961 -14.393 1.00 0.00 C ATOM 313 C LEU A 112 2.162 6.116 -13.378 1.00 0.00 C ATOM 314 O LEU A 112 2.697 7.227 -13.297 1.00 0.00 O ATOM 315 CB LEU A 112 -0.367 6.270 -13.695 1.00 0.00 C ATOM 316 CG LEU A 112 -1.618 6.301 -14.619 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.897 6.444 -13.779 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.573 7.415 -15.687 1.00 0.00 C ATOM 0 H LEU A 112 0.289 4.049 -14.999 1.00 0.00 H new ATOM 0 HA LEU A 112 1.066 6.707 -15.185 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.532 5.523 -12.919 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.285 7.235 -13.196 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.619 5.352 -15.155 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.765 6.464 -14.438 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.980 5.599 -13.096 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.855 7.370 -13.206 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.478 7.375 -16.293 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.508 8.386 -15.197 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.702 7.272 -16.326 1.00 0.00 H new ATOM 330 N PHE A 113 2.601 5.046 -12.652 1.00 0.00 N ATOM 331 CA PHE A 113 3.900 5.087 -11.910 1.00 0.00 C ATOM 332 C PHE A 113 5.086 5.506 -12.867 1.00 0.00 C ATOM 333 O PHE A 113 5.715 6.539 -12.627 1.00 0.00 O ATOM 334 CB PHE A 113 4.335 3.761 -11.209 1.00 0.00 C ATOM 335 CG PHE A 113 3.564 2.887 -10.190 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.397 3.300 -8.860 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.550 1.510 -10.470 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.277 2.344 -7.842 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.485 0.572 -9.442 1.00 0.00 C ATOM 340 CZ PHE A 113 3.311 0.994 -8.146 1.00 0.00 C ATOM 0 H PHE A 113 2.091 4.167 -12.565 1.00 0.00 H new ATOM 0 HA PHE A 113 3.707 5.821 -11.127 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.578 3.083 -12.027 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.272 4.007 -10.709 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.361 4.353 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.590 1.174 -11.496 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.158 2.662 -6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.571 -0.482 -9.663 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.200 0.265 -7.357 1.00 0.00 H new ATOM 350 N ASP A 114 5.360 4.740 -13.951 1.00 0.00 N ATOM 351 CA ASP A 114 6.570 4.933 -14.787 1.00 0.00 C ATOM 352 C ASP A 114 6.339 6.093 -15.799 1.00 0.00 C ATOM 353 O ASP A 114 5.645 5.942 -16.809 1.00 0.00 O ATOM 354 CB ASP A 114 6.978 3.596 -15.464 1.00 0.00 C ATOM 355 CG ASP A 114 8.473 3.489 -15.819 1.00 0.00 C ATOM 356 OD1 ASP A 114 9.005 4.373 -16.525 1.00 0.00 O ATOM 357 OD2 ASP A 114 9.124 2.514 -15.388 1.00 0.00 O ATOM 0 H ASP A 114 4.757 3.981 -14.267 1.00 0.00 H new ATOM 0 HA ASP A 114 7.412 5.228 -14.160 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.716 2.772 -14.800 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.392 3.471 -16.374 1.00 0.00 H new ATOM 422 N LYS A 120 9.886 -0.568 -14.597 1.00 0.00 N ATOM 423 CA LYS A 120 10.432 -0.792 -13.237 1.00 0.00 C ATOM 424 C LYS A 120 10.410 0.580 -12.503 1.00 0.00 C ATOM 425 O LYS A 120 10.713 1.619 -13.105 1.00 0.00 O ATOM 426 CB LYS A 120 11.849 -1.371 -13.313 1.00 0.00 C ATOM 427 CG LYS A 120 12.205 -2.073 -11.993 1.00 0.00 C ATOM 428 CD LYS A 120 11.874 -3.581 -11.918 1.00 0.00 C ATOM 429 CE LYS A 120 12.947 -4.500 -12.534 1.00 0.00 C ATOM 430 NZ LYS A 120 12.604 -5.924 -12.366 1.00 0.00 N ATOM 0 HA LYS A 120 9.831 -1.518 -12.688 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.917 -2.078 -14.140 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.565 -0.574 -13.515 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.273 -1.946 -11.813 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.683 -1.566 -11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.732 -3.858 -10.873 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.926 -3.758 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.055 -4.274 -13.595 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.911 -4.300 -12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.348 -6.513 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 12.525 -6.145 -11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 11.696 -6.120 -12.834 1.00 0.00 H new ATOM 444 N ILE A 121 10.018 0.596 -11.209 1.00 0.00 N ATOM 445 CA ILE A 121 9.669 1.876 -10.488 1.00 0.00 C ATOM 446 C ILE A 121 10.236 2.031 -9.037 1.00 0.00 C ATOM 447 O ILE A 121 10.765 1.096 -8.433 1.00 0.00 O ATOM 448 CB ILE A 121 8.111 2.148 -10.572 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.139 1.150 -9.872 1.00 0.00 C ATOM 450 CG2 ILE A 121 7.697 2.374 -12.048 1.00 0.00 C ATOM 451 CD1 ILE A 121 6.909 1.453 -8.387 1.00 0.00 C ATOM 0 H ILE A 121 9.931 -0.243 -10.635 1.00 0.00 H new ATOM 0 HA ILE A 121 10.200 2.661 -11.027 1.00 0.00 H new ATOM 0 HB ILE A 121 7.986 3.045 -9.965 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.180 1.167 -10.390 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.537 0.140 -9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.624 2.561 -12.101 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.235 3.233 -12.449 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.940 1.488 -12.634 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.222 0.717 -7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.859 1.407 -7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.482 2.450 -8.281 1.00 0.00 H new ATOM 463 N SER A 122 10.121 3.274 -8.507 1.00 0.00 N ATOM 464 CA SER A 122 10.691 3.700 -7.200 1.00 0.00 C ATOM 465 C SER A 122 9.649 4.426 -6.281 1.00 0.00 C ATOM 466 O SER A 122 8.533 4.755 -6.694 1.00 0.00 O ATOM 467 CB SER A 122 11.939 4.571 -7.496 1.00 0.00 C ATOM 468 OG SER A 122 12.959 3.829 -8.160 1.00 0.00 O ATOM 0 H SER A 122 9.620 4.024 -8.983 1.00 0.00 H new ATOM 0 HA SER A 122 10.980 2.820 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 122 11.650 5.422 -8.112 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.332 4.972 -6.562 1.00 0.00 H new ATOM 0 HG SER A 122 13.728 4.411 -8.331 1.00 0.00 H new ATOM 474 N PHE A 123 10.069 4.672 -5.016 1.00 0.00 N ATOM 475 CA PHE A 123 9.350 5.468 -3.961 1.00 0.00 C ATOM 476 C PHE A 123 8.493 6.701 -4.405 1.00 0.00 C ATOM 477 O PHE A 123 7.320 6.847 -4.025 1.00 0.00 O ATOM 478 CB PHE A 123 10.448 5.799 -2.886 1.00 0.00 C ATOM 479 CG PHE A 123 10.178 6.895 -1.833 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.503 6.602 -0.646 1.00 0.00 C ATOM 481 CD2 PHE A 123 10.571 8.216 -2.090 1.00 0.00 C ATOM 482 CE1 PHE A 123 9.186 7.623 0.248 1.00 0.00 C ATOM 483 CE2 PHE A 123 10.252 9.234 -1.195 1.00 0.00 C ATOM 484 CZ PHE A 123 9.556 8.934 -0.027 1.00 0.00 C ATOM 0 H PHE A 123 10.959 4.309 -4.676 1.00 0.00 H new ATOM 0 HA PHE A 123 8.534 4.860 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.666 4.876 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.355 6.078 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.226 5.583 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 123 11.125 8.446 -2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.651 7.395 1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.543 10.252 -1.406 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.303 9.722 0.667 1.00 0.00 H new ATOM 494 N LYS A 124 9.134 7.599 -5.170 1.00 0.00 N ATOM 495 CA LYS A 124 8.465 8.836 -5.665 1.00 0.00 C ATOM 496 C LYS A 124 7.302 8.577 -6.643 1.00 0.00 C ATOM 497 O LYS A 124 6.279 9.250 -6.527 1.00 0.00 O ATOM 498 CB LYS A 124 9.396 9.873 -6.317 1.00 0.00 C ATOM 499 CG LYS A 124 10.317 10.518 -5.273 1.00 0.00 C ATOM 500 CD LYS A 124 11.098 11.731 -5.810 1.00 0.00 C ATOM 501 CE LYS A 124 12.055 12.288 -4.744 1.00 0.00 C ATOM 502 NZ LYS A 124 12.788 13.469 -5.231 1.00 0.00 N ATOM 0 H LYS A 124 10.106 7.503 -5.463 1.00 0.00 H new ATOM 0 HA LYS A 124 8.081 9.251 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.996 9.393 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.801 10.643 -6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.720 10.831 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.024 9.771 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.664 11.440 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.400 12.509 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.489 12.554 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.765 11.514 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.423 13.816 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.348 13.209 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.112 14.217 -5.485 1.00 0.00 H new ATOM 516 N ASN A 125 7.422 7.603 -7.564 1.00 0.00 N ATOM 517 CA ASN A 125 6.306 7.221 -8.489 1.00 0.00 C ATOM 518 C ASN A 125 4.964 6.830 -7.763 1.00 0.00 C ATOM 519 O ASN A 125 3.906 7.403 -8.113 1.00 0.00 O ATOM 520 CB ASN A 125 6.771 6.155 -9.530 1.00 0.00 C ATOM 521 CG ASN A 125 8.081 6.409 -10.317 1.00 0.00 C ATOM 522 OD1 ASN A 125 8.969 5.560 -10.363 1.00 0.00 O ATOM 523 ND2 ASN A 125 8.251 7.566 -10.940 1.00 0.00 N ATOM 0 H ASN A 125 8.274 7.059 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 125 6.051 8.127 -9.039 1.00 0.00 H new ATOM 0 HB2 ASN A 125 6.879 5.205 -9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.968 6.029 -10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 125 9.114 7.747 -11.453 1.00 0.00 H new ATOM 0 HD22 ASN A 125 7.519 8.276 -10.907 1.00 0.00 H new ATOM 530 N LEU A 126 5.074 5.950 -6.707 1.00 0.00 N ATOM 531 CA LEU A 126 3.994 5.635 -5.717 1.00 0.00 C ATOM 532 C LEU A 126 3.351 6.965 -5.216 1.00 0.00 C ATOM 533 O LEU A 126 2.212 7.263 -5.585 1.00 0.00 O ATOM 534 CB LEU A 126 4.489 4.841 -4.445 1.00 0.00 C ATOM 535 CG LEU A 126 4.923 3.352 -4.468 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.223 3.097 -5.242 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.094 2.820 -3.026 1.00 0.00 C ATOM 0 H LEU A 126 5.935 5.434 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 126 3.286 4.998 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.337 5.399 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.688 4.913 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 126 4.125 2.823 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.461 2.034 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.098 3.413 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.035 3.663 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.399 1.774 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.856 3.404 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.148 2.906 -2.492 1.00 0.00 H new ATOM 549 N LYS A 127 4.150 7.792 -4.502 1.00 0.00 N ATOM 550 CA LYS A 127 3.743 9.146 -4.079 1.00 0.00 C ATOM 551 C LYS A 127 3.265 10.175 -5.142 1.00 0.00 C ATOM 552 O LYS A 127 2.667 11.179 -4.761 1.00 0.00 O ATOM 553 CB LYS A 127 5.007 9.781 -3.498 1.00 0.00 C ATOM 554 CG LYS A 127 4.664 10.863 -2.441 1.00 0.00 C ATOM 555 CD LYS A 127 5.824 11.809 -2.054 1.00 0.00 C ATOM 556 CE LYS A 127 6.872 11.223 -1.084 1.00 0.00 C ATOM 557 NZ LYS A 127 7.921 12.208 -0.768 1.00 0.00 N ATOM 0 H LYS A 127 5.092 7.537 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 127 2.879 8.973 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.627 9.009 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.593 10.228 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.838 11.466 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.309 10.365 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.334 12.120 -2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 127 5.401 12.707 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.381 10.904 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.325 10.336 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.610 11.784 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.405 12.493 -1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.490 13.043 -0.323 1.00 0.00 H new ATOM 571 N ARG A 128 3.645 10.025 -6.423 1.00 0.00 N ATOM 572 CA ARG A 128 3.485 11.091 -7.444 1.00 0.00 C ATOM 573 C ARG A 128 2.076 11.109 -7.977 1.00 0.00 C ATOM 574 O ARG A 128 1.307 12.047 -7.739 1.00 0.00 O ATOM 575 CB ARG A 128 4.430 10.904 -8.646 1.00 0.00 C ATOM 576 CG ARG A 128 5.836 11.447 -8.354 1.00 0.00 C ATOM 577 CD ARG A 128 6.776 11.611 -9.575 1.00 0.00 C ATOM 578 NE ARG A 128 6.400 12.703 -10.519 1.00 0.00 N ATOM 579 CZ ARG A 128 7.166 13.123 -11.545 1.00 0.00 C ATOM 580 NH1 ARG A 128 8.373 12.633 -11.823 1.00 0.00 N ATOM 581 NH2 ARG A 128 6.693 14.082 -12.321 1.00 0.00 N ATOM 0 H ARG A 128 4.069 9.171 -6.784 1.00 0.00 H new ATOM 0 HA ARG A 128 3.727 12.026 -6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.494 9.845 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.017 11.414 -9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.734 12.417 -7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.318 10.781 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.787 11.796 -9.213 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.801 10.670 -10.124 1.00 0.00 H new ATOM 0 HE ARG A 128 5.501 13.164 -10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.769 11.894 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.901 12.997 -12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 128 5.773 14.482 -12.135 1.00 0.00 H new ATOM 0 HH22 ARG A 128 7.248 14.423 -13.106 1.00 0.00 H new ATOM 595 N VAL A 129 1.764 10.017 -8.674 1.00 0.00 N ATOM 596 CA VAL A 129 0.382 9.790 -9.146 1.00 0.00 C ATOM 597 C VAL A 129 -0.608 9.424 -7.996 1.00 0.00 C ATOM 598 O VAL A 129 -1.754 9.879 -8.070 1.00 0.00 O ATOM 599 CB VAL A 129 0.456 8.820 -10.346 1.00 0.00 C ATOM 600 CG1 VAL A 129 0.851 9.595 -11.596 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.404 7.616 -10.214 1.00 0.00 C ATOM 0 H VAL A 129 2.428 9.284 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.072 10.712 -9.509 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.545 8.392 -10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.904 8.913 -12.445 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.107 10.366 -11.796 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.825 10.061 -11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.360 7.017 -11.124 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.423 7.971 -10.061 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.101 7.006 -9.363 1.00 0.00 H new ATOM 611 N ALA A 130 -0.211 8.646 -6.950 1.00 0.00 N ATOM 612 CA ALA A 130 -1.072 8.519 -5.717 1.00 0.00 C ATOM 613 C ALA A 130 -1.187 9.853 -4.917 1.00 0.00 C ATOM 614 O ALA A 130 -2.218 10.127 -4.297 1.00 0.00 O ATOM 615 CB ALA A 130 -0.634 7.415 -4.731 1.00 0.00 C ATOM 0 H ALA A 130 0.659 8.115 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.041 8.241 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.312 7.400 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.660 6.448 -5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.380 7.617 -4.386 1.00 0.00 H new ATOM 621 N LYS A 131 -0.121 10.670 -4.987 1.00 0.00 N ATOM 622 CA LYS A 131 -0.135 12.072 -4.479 1.00 0.00 C ATOM 623 C LYS A 131 -1.107 13.070 -5.171 1.00 0.00 C ATOM 624 O LYS A 131 -1.622 13.963 -4.491 1.00 0.00 O ATOM 625 CB LYS A 131 1.295 12.610 -4.554 1.00 0.00 C ATOM 626 CG LYS A 131 1.441 13.876 -3.696 1.00 0.00 C ATOM 627 CD LYS A 131 2.880 14.443 -3.677 1.00 0.00 C ATOM 628 CE LYS A 131 3.090 15.685 -2.783 1.00 0.00 C ATOM 629 NZ LYS A 131 2.446 16.900 -3.318 1.00 0.00 N ATOM 0 H LYS A 131 0.772 10.389 -5.392 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.524 12.007 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.995 11.848 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.551 12.834 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.762 14.641 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.134 13.651 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.558 13.657 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.166 14.698 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.695 15.480 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 131 4.159 15.867 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.622 17.698 -2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.840 17.117 -4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.421 16.742 -3.401 1.00 0.00 H new ATOM 643 N GLU A 132 -1.369 12.914 -6.487 1.00 0.00 N ATOM 644 CA GLU A 132 -2.455 13.646 -7.219 1.00 0.00 C ATOM 645 C GLU A 132 -3.858 13.595 -6.527 1.00 0.00 C ATOM 646 O GLU A 132 -4.503 14.638 -6.389 1.00 0.00 O ATOM 647 CB GLU A 132 -2.624 13.171 -8.688 1.00 0.00 C ATOM 648 CG GLU A 132 -1.426 13.418 -9.644 1.00 0.00 C ATOM 649 CD GLU A 132 -1.835 13.809 -11.070 1.00 0.00 C ATOM 650 OE1 GLU A 132 -2.095 12.905 -11.895 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.897 15.022 -11.371 1.00 0.00 O ATOM 0 H GLU A 132 -0.839 12.278 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.104 14.678 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.836 12.102 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.501 13.665 -9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.799 14.207 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.816 12.515 -9.687 1.00 0.00 H new ATOM 658 N LEU A 133 -4.291 12.400 -6.069 1.00 0.00 N ATOM 659 CA LEU A 133 -5.478 12.235 -5.175 1.00 0.00 C ATOM 660 C LEU A 133 -5.335 12.984 -3.810 1.00 0.00 C ATOM 661 O LEU A 133 -6.221 13.766 -3.449 1.00 0.00 O ATOM 662 CB LEU A 133 -5.791 10.697 -5.048 1.00 0.00 C ATOM 663 CG LEU A 133 -6.468 10.106 -3.769 1.00 0.00 C ATOM 664 CD1 LEU A 133 -7.902 10.592 -3.484 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.437 8.566 -3.779 1.00 0.00 C ATOM 0 H LEU A 133 -3.834 11.519 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.343 12.723 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.425 10.431 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.846 10.169 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 133 -5.859 10.496 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.273 10.119 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.900 11.674 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.549 10.327 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.916 8.187 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.971 8.197 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.403 8.223 -3.813 1.00 0.00 H new ATOM 773 N GLU A 141 5.436 5.363 6.265 1.00 0.00 N ATOM 774 CA GLU A 141 4.559 4.241 5.808 1.00 0.00 C ATOM 775 C GLU A 141 4.862 3.735 4.366 1.00 0.00 C ATOM 776 O GLU A 141 5.034 2.533 4.142 1.00 0.00 O ATOM 777 CB GLU A 141 3.072 4.675 5.857 1.00 0.00 C ATOM 778 CG GLU A 141 2.487 4.908 7.269 1.00 0.00 C ATOM 779 CD GLU A 141 1.028 5.383 7.245 1.00 0.00 C ATOM 780 OE1 GLU A 141 0.114 4.530 7.253 1.00 0.00 O ATOM 781 OE2 GLU A 141 0.791 6.611 7.218 1.00 0.00 O ATOM 0 HA GLU A 141 4.767 3.419 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.962 5.595 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.474 3.913 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.552 3.982 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 141 3.095 5.647 7.790 1.00 0.00 H new ATOM 788 N LEU A 142 4.950 4.669 3.406 1.00 0.00 N ATOM 789 CA LEU A 142 5.303 4.371 1.991 1.00 0.00 C ATOM 790 C LEU A 142 6.803 3.878 1.794 1.00 0.00 C ATOM 791 O LEU A 142 7.048 3.064 0.897 1.00 0.00 O ATOM 792 CB LEU A 142 4.708 5.564 1.163 1.00 0.00 C ATOM 793 CG LEU A 142 5.622 6.616 0.499 1.00 0.00 C ATOM 794 CD1 LEU A 142 6.152 6.064 -0.828 1.00 0.00 C ATOM 795 CD2 LEU A 142 4.875 7.935 0.210 1.00 0.00 C ATOM 0 H LEU A 142 4.779 5.659 3.581 1.00 0.00 H new ATOM 0 HA LEU A 142 4.851 3.470 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.098 5.128 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 142 4.032 6.104 1.825 1.00 0.00 H new ATOM 0 HG LEU A 142 6.436 6.824 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.798 6.805 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 142 6.721 5.153 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.315 5.840 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.558 8.645 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 142 4.039 7.740 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 142 4.500 8.353 1.144 1.00 0.00 H new ATOM 807 N GLN A 143 7.783 4.279 2.651 1.00 0.00 N ATOM 808 CA GLN A 143 9.141 3.642 2.724 1.00 0.00 C ATOM 809 C GLN A 143 9.082 2.173 3.268 1.00 0.00 C ATOM 810 O GLN A 143 9.764 1.299 2.726 1.00 0.00 O ATOM 811 CB GLN A 143 10.138 4.444 3.617 1.00 0.00 C ATOM 812 CG GLN A 143 10.810 5.688 2.999 1.00 0.00 C ATOM 813 CD GLN A 143 11.844 5.443 1.879 1.00 0.00 C ATOM 814 OE1 GLN A 143 12.064 4.331 1.397 1.00 0.00 O ATOM 815 NE2 GLN A 143 12.510 6.500 1.441 1.00 0.00 N ATOM 0 H GLN A 143 7.661 5.048 3.310 1.00 0.00 H new ATOM 0 HA GLN A 143 9.499 3.641 1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.606 4.761 4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.925 3.762 3.938 1.00 0.00 H new ATOM 0 HG2 GLN A 143 10.027 6.334 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 143 11.302 6.240 3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.327 7.420 1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.206 6.394 0.703 1.00 0.00 H new ATOM 824 N GLU A 144 8.274 1.899 4.319 1.00 0.00 N ATOM 825 CA GLU A 144 7.953 0.509 4.765 1.00 0.00 C ATOM 826 C GLU A 144 7.341 -0.415 3.676 1.00 0.00 C ATOM 827 O GLU A 144 7.656 -1.608 3.641 1.00 0.00 O ATOM 828 CB GLU A 144 6.974 0.531 5.971 1.00 0.00 C ATOM 829 CG GLU A 144 7.533 0.953 7.350 1.00 0.00 C ATOM 830 CD GLU A 144 6.437 1.297 8.366 1.00 0.00 C ATOM 831 OE1 GLU A 144 5.838 0.366 8.949 1.00 0.00 O ATOM 832 OE2 GLU A 144 6.171 2.500 8.588 1.00 0.00 O ATOM 0 H GLU A 144 7.827 2.623 4.882 1.00 0.00 H new ATOM 0 HA GLU A 144 8.923 0.090 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 144 6.153 1.204 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 144 6.548 -0.467 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 144 8.148 0.146 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 144 8.185 1.817 7.222 1.00 0.00 H new ATOM 839 N MET A 145 6.505 0.148 2.783 1.00 0.00 N ATOM 840 CA MET A 145 6.040 -0.551 1.555 1.00 0.00 C ATOM 841 C MET A 145 7.210 -0.919 0.596 1.00 0.00 C ATOM 842 O MET A 145 7.348 -2.102 0.280 1.00 0.00 O ATOM 843 CB MET A 145 4.953 0.281 0.822 1.00 0.00 C ATOM 844 CG MET A 145 3.663 0.537 1.608 1.00 0.00 C ATOM 845 SD MET A 145 2.580 1.573 0.602 1.00 0.00 S ATOM 846 CE MET A 145 1.772 2.586 1.857 1.00 0.00 C ATOM 0 H MET A 145 6.132 1.092 2.885 1.00 0.00 H new ATOM 0 HA MET A 145 5.595 -1.493 1.876 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.384 1.243 0.546 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.695 -0.231 -0.105 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.171 -0.406 1.847 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.887 1.029 2.555 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.075 3.273 1.377 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.229 1.943 2.549 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.523 3.155 2.404 1.00 0.00 H new ATOM 856 N ILE A 146 8.067 0.037 0.174 1.00 0.00 N ATOM 857 CA ILE A 146 9.170 -0.252 -0.798 1.00 0.00 C ATOM 858 C ILE A 146 10.219 -1.319 -0.334 1.00 0.00 C ATOM 859 O ILE A 146 10.596 -2.180 -1.132 1.00 0.00 O ATOM 860 CB ILE A 146 9.804 1.084 -1.341 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.329 0.938 -2.799 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.930 1.693 -0.467 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.245 0.850 -3.878 1.00 0.00 C ATOM 0 H ILE A 146 8.026 1.009 0.481 1.00 0.00 H new ATOM 0 HA ILE A 146 8.698 -0.757 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 146 8.966 1.780 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.973 1.788 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 146 10.950 0.044 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.296 2.609 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.538 1.920 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.749 0.979 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.713 0.750 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.613 -0.017 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.637 1.754 -3.857 1.00 0.00 H new ATOM 875 N ASP A 147 10.639 -1.275 0.944 1.00 0.00 N ATOM 876 CA ASP A 147 11.438 -2.373 1.570 1.00 0.00 C ATOM 877 C ASP A 147 10.685 -3.732 1.734 1.00 0.00 C ATOM 878 O ASP A 147 11.279 -4.790 1.515 1.00 0.00 O ATOM 879 CB ASP A 147 12.081 -1.899 2.898 1.00 0.00 C ATOM 880 CG ASP A 147 11.216 -1.499 4.107 1.00 0.00 C ATOM 881 OD1 ASP A 147 10.463 -2.345 4.637 1.00 0.00 O ATOM 882 OD2 ASP A 147 11.330 -0.339 4.559 1.00 0.00 O ATOM 0 H ASP A 147 10.444 -0.496 1.573 1.00 0.00 H new ATOM 0 HA ASP A 147 12.230 -2.597 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 147 12.745 -2.696 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.709 -1.041 2.659 1.00 0.00 H new ATOM 887 N GLU A 148 9.385 -3.682 2.075 1.00 0.00 N ATOM 888 CA GLU A 148 8.452 -4.837 2.073 1.00 0.00 C ATOM 889 C GLU A 148 8.411 -5.687 0.763 1.00 0.00 C ATOM 890 O GLU A 148 8.556 -6.910 0.836 1.00 0.00 O ATOM 891 CB GLU A 148 7.070 -4.238 2.444 1.00 0.00 C ATOM 892 CG GLU A 148 6.066 -5.198 3.099 1.00 0.00 C ATOM 893 CD GLU A 148 5.387 -6.207 2.163 1.00 0.00 C ATOM 894 OE1 GLU A 148 4.476 -5.813 1.403 1.00 0.00 O ATOM 895 OE2 GLU A 148 5.764 -7.400 2.185 1.00 0.00 O ATOM 0 H GLU A 148 8.936 -2.815 2.369 1.00 0.00 H new ATOM 0 HA GLU A 148 8.798 -5.581 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.231 -3.398 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.617 -3.835 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 148 6.582 -5.751 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 148 5.291 -4.605 3.584 1.00 0.00 H new ATOM 902 N ALA A 149 8.238 -5.044 -0.412 1.00 0.00 N ATOM 903 CA ALA A 149 8.318 -5.734 -1.730 1.00 0.00 C ATOM 904 C ALA A 149 9.754 -6.159 -2.149 1.00 0.00 C ATOM 905 O ALA A 149 9.948 -7.322 -2.516 1.00 0.00 O ATOM 906 CB ALA A 149 7.661 -4.871 -2.825 1.00 0.00 C ATOM 0 H ALA A 149 8.041 -4.046 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 149 7.766 -6.667 -1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 149 7.726 -5.387 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 149 6.614 -4.701 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.178 -3.914 -2.893 1.00 0.00 H new ATOM 1001 N VAL A 157 10.790 -1.893 -8.326 1.00 0.00 N ATOM 1002 CA VAL A 157 9.521 -2.673 -8.257 1.00 0.00 C ATOM 1003 C VAL A 157 9.016 -3.007 -9.701 1.00 0.00 C ATOM 1004 O VAL A 157 9.344 -2.359 -10.697 1.00 0.00 O ATOM 1005 CB VAL A 157 8.501 -1.842 -7.388 1.00 0.00 C ATOM 1006 CG1 VAL A 157 6.997 -2.007 -7.686 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.697 -2.091 -5.880 1.00 0.00 C ATOM 0 HA VAL A 157 9.658 -3.641 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 157 8.758 -0.826 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.421 -1.375 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 157 6.796 -1.714 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.710 -3.049 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.975 -1.500 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.548 -3.149 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.707 -1.801 -5.592 1.00 0.00 H new ATOM 1017 N SER A 158 8.228 -4.089 -9.767 1.00 0.00 N ATOM 1018 CA SER A 158 7.801 -4.753 -11.024 1.00 0.00 C ATOM 1019 C SER A 158 6.235 -4.705 -11.115 1.00 0.00 C ATOM 1020 O SER A 158 5.532 -4.366 -10.155 1.00 0.00 O ATOM 1021 CB SER A 158 8.370 -6.229 -10.998 1.00 0.00 C ATOM 1022 OG SER A 158 9.666 -6.337 -10.406 1.00 0.00 O ATOM 0 H SER A 158 7.857 -4.544 -8.933 1.00 0.00 H new ATOM 0 HA SER A 158 8.187 -4.252 -11.911 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.676 -6.866 -10.450 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.414 -6.610 -12.018 1.00 0.00 H new ATOM 0 HG SER A 158 9.956 -7.273 -10.421 1.00 0.00 H new ATOM 1028 N GLU A 159 5.689 -5.060 -12.297 1.00 0.00 N ATOM 1029 CA GLU A 159 4.207 -5.146 -12.573 1.00 0.00 C ATOM 1030 C GLU A 159 3.330 -5.871 -11.502 1.00 0.00 C ATOM 1031 O GLU A 159 2.266 -5.379 -11.115 1.00 0.00 O ATOM 1032 CB GLU A 159 3.890 -5.717 -13.985 1.00 0.00 C ATOM 1033 CG GLU A 159 4.532 -7.033 -14.486 1.00 0.00 C ATOM 1034 CD GLU A 159 3.974 -7.464 -15.850 1.00 0.00 C ATOM 1035 OE1 GLU A 159 4.523 -7.041 -16.890 1.00 0.00 O ATOM 1036 OE2 GLU A 159 2.982 -8.226 -15.884 1.00 0.00 O ATOM 0 H GLU A 159 6.258 -5.302 -13.109 1.00 0.00 H new ATOM 0 HA GLU A 159 3.914 -4.098 -12.520 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.810 -5.851 -14.038 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.151 -4.942 -14.706 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.612 -6.904 -14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.355 -7.823 -13.756 1.00 0.00 H new ATOM 1043 N GLN A 160 3.861 -6.991 -11.000 1.00 0.00 N ATOM 1044 CA GLN A 160 3.327 -7.755 -9.843 1.00 0.00 C ATOM 1045 C GLN A 160 3.008 -6.989 -8.523 1.00 0.00 C ATOM 1046 O GLN A 160 2.206 -7.514 -7.753 1.00 0.00 O ATOM 1047 CB GLN A 160 4.321 -8.906 -9.520 1.00 0.00 C ATOM 1048 CG GLN A 160 4.409 -10.024 -10.589 1.00 0.00 C ATOM 1049 CD GLN A 160 5.318 -11.198 -10.188 1.00 0.00 C ATOM 1050 OE1 GLN A 160 4.858 -12.217 -9.674 1.00 0.00 O ATOM 1051 NE2 GLN A 160 6.616 -11.095 -10.433 1.00 0.00 N ATOM 0 H GLN A 160 4.702 -7.413 -11.393 1.00 0.00 H new ATOM 0 HA GLN A 160 2.345 -8.083 -10.184 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.314 -8.478 -9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.034 -9.356 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.407 -10.404 -10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.776 -9.594 -11.521 1.00 0.00 H new ATOM 0 HE21 GLN A 160 6.989 -10.247 -10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 160 7.242 -11.864 -10.195 1.00 0.00 H new ATOM 1060 N GLU A 161 3.562 -5.796 -8.232 1.00 0.00 N ATOM 1061 CA GLU A 161 3.233 -5.066 -6.982 1.00 0.00 C ATOM 1062 C GLU A 161 1.923 -4.246 -7.020 1.00 0.00 C ATOM 1063 O GLU A 161 1.038 -4.548 -6.216 1.00 0.00 O ATOM 1064 CB GLU A 161 4.437 -4.219 -6.555 1.00 0.00 C ATOM 1065 CG GLU A 161 5.623 -4.995 -5.941 1.00 0.00 C ATOM 1066 CD GLU A 161 6.441 -5.975 -6.797 1.00 0.00 C ATOM 1067 OE1 GLU A 161 6.015 -7.139 -6.960 1.00 0.00 O ATOM 1068 OE2 GLU A 161 7.535 -5.601 -7.269 1.00 0.00 O ATOM 0 H GLU A 161 4.232 -5.318 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 161 3.028 -5.825 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.798 -3.671 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.098 -3.479 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.319 -4.257 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 161 5.235 -5.557 -5.091 1.00 0.00 H new ATOM 1075 N PHE A 162 1.737 -3.260 -7.926 1.00 0.00 N ATOM 1076 CA PHE A 162 0.375 -2.614 -8.083 1.00 0.00 C ATOM 1077 C PHE A 162 -0.673 -3.656 -8.575 1.00 0.00 C ATOM 1078 O PHE A 162 -1.708 -3.799 -7.916 1.00 0.00 O ATOM 1079 CB PHE A 162 0.393 -1.293 -8.918 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.815 -0.292 -9.004 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -2.103 -0.557 -8.490 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.656 0.883 -9.770 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.207 0.170 -8.916 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.760 1.620 -10.167 1.00 0.00 C ATOM 1085 CZ PHE A 162 -3.034 1.228 -9.792 1.00 0.00 C ATOM 0 H PHE A 162 2.463 -2.894 -8.542 1.00 0.00 H new ATOM 0 HA PHE A 162 0.060 -2.283 -7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.242 -0.715 -8.555 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.621 -1.584 -9.943 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.232 -1.337 -7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.335 1.210 -10.049 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.195 -0.089 -8.566 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.626 2.505 -10.772 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.895 1.749 -10.184 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.384 -4.439 -9.638 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.352 -5.455 -10.147 1.00 0.00 C ATOM 1097 C LEU A 163 -1.559 -6.676 -9.205 1.00 0.00 C ATOM 1098 O LEU A 163 -2.707 -7.031 -8.911 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.982 -5.949 -11.576 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.096 -4.984 -12.789 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.251 -3.702 -12.713 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.746 -5.737 -14.087 1.00 0.00 C ATOM 0 H LEU A 163 0.493 -4.395 -10.157 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.303 -4.923 -10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.049 -6.302 -11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.608 -6.815 -11.791 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.133 -4.648 -12.774 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.411 -3.107 -13.612 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -0.546 -3.123 -11.838 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.804 -3.966 -12.635 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.827 -5.057 -14.935 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.273 -6.118 -14.023 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -1.436 -6.570 -14.222 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.467 -7.322 -8.765 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.535 -8.531 -7.917 1.00 0.00 C ATOM 1116 C ARG A 164 -0.928 -8.308 -6.438 1.00 0.00 C ATOM 1117 O ARG A 164 -1.651 -9.152 -5.902 1.00 0.00 O ATOM 1118 CB ARG A 164 0.843 -9.186 -7.984 1.00 0.00 C ATOM 1119 CG ARG A 164 0.797 -10.649 -7.517 1.00 0.00 C ATOM 1120 CD ARG A 164 2.179 -11.322 -7.596 1.00 0.00 C ATOM 1121 NE ARG A 164 2.121 -12.764 -7.239 1.00 0.00 N ATOM 1122 CZ ARG A 164 3.168 -13.488 -6.796 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.387 -12.992 -6.589 1.00 0.00 N ATOM 1124 NH2 ARG A 164 2.975 -14.770 -6.551 1.00 0.00 N ATOM 0 H ARG A 164 0.484 -7.026 -8.984 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.341 -9.150 -8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.218 -9.141 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.543 -8.627 -7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.431 -10.691 -6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.088 -11.204 -8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.577 -11.215 -8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 164 2.869 -10.811 -6.925 1.00 0.00 H new ATOM 0 HE ARG A 164 1.224 -13.240 -7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.573 -12.005 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.134 -13.599 -6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 164 2.055 -15.184 -6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 164 3.746 -15.347 -6.215 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.486 -7.203 -5.782 1.00 0.00 N ATOM 1139 CA ILE A 165 -0.984 -6.860 -4.415 1.00 0.00 C ATOM 1140 C ILE A 165 -2.482 -6.345 -4.490 1.00 0.00 C ATOM 1141 O ILE A 165 -3.239 -6.715 -3.585 1.00 0.00 O ATOM 1142 CB ILE A 165 -0.035 -5.917 -3.563 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.534 -6.129 -3.524 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.523 -5.906 -2.088 1.00 0.00 C ATOM 1145 CD1 ILE A 165 2.181 -7.465 -3.896 1.00 0.00 C ATOM 0 H ILE A 165 0.196 -6.547 -6.162 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.966 -7.788 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.136 -4.989 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.969 -5.375 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.858 -5.894 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.124 -5.260 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.546 -5.532 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.490 -6.919 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.264 -7.385 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.814 -8.245 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.927 -7.718 -4.925 1.00 0.00 H new ATOM 1157 N MET A 166 -2.953 -5.588 -5.527 1.00 0.00 N ATOM 1158 CA MET A 166 -4.412 -5.300 -5.719 1.00 0.00 C ATOM 1159 C MET A 166 -5.324 -6.567 -5.830 1.00 0.00 C ATOM 1160 O MET A 166 -6.344 -6.621 -5.136 1.00 0.00 O ATOM 1161 CB MET A 166 -4.617 -4.348 -6.932 1.00 0.00 C ATOM 1162 CG MET A 166 -6.001 -3.680 -7.038 1.00 0.00 C ATOM 1163 SD MET A 166 -7.233 -4.838 -7.675 1.00 0.00 S ATOM 1164 CE MET A 166 -8.748 -3.892 -7.432 1.00 0.00 C ATOM 0 H MET A 166 -2.351 -5.170 -6.237 1.00 0.00 H new ATOM 0 HA MET A 166 -4.739 -4.807 -4.804 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.860 -3.565 -6.886 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.437 -4.913 -7.847 1.00 0.00 H new ATOM 0 HG2 MET A 166 -6.310 -3.318 -6.057 1.00 0.00 H new ATOM 0 HG3 MET A 166 -5.940 -2.811 -7.694 1.00 0.00 H new ATOM 0 HE1 MET A 166 -9.601 -4.476 -7.779 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.870 -3.666 -6.373 1.00 0.00 H new ATOM 0 HE3 MET A 166 -8.691 -2.962 -7.998 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.972 -7.562 -6.678 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.804 -8.776 -6.882 1.00 0.00 C ATOM 1176 C LYS A 167 -5.842 -9.733 -5.668 1.00 0.00 C ATOM 1177 O LYS A 167 -6.857 -9.794 -4.968 1.00 0.00 O ATOM 1178 CB LYS A 167 -5.241 -9.504 -8.110 1.00 0.00 C ATOM 1179 CG LYS A 167 -6.146 -10.669 -8.551 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.628 -11.490 -9.752 1.00 0.00 C ATOM 1181 CE LYS A 167 -5.715 -10.781 -11.121 1.00 0.00 C ATOM 1182 NZ LYS A 167 -5.236 -11.649 -12.211 1.00 0.00 N ATOM 0 H LYS A 167 -4.117 -7.549 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.838 -8.460 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -5.132 -8.797 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -4.245 -9.884 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -6.283 -11.342 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -7.128 -10.269 -8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -4.588 -11.759 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -6.193 -12.420 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -6.747 -10.488 -11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -5.123 -9.866 -11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -5.308 -11.142 -13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -4.244 -11.908 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -5.817 -12.510 -12.250 1.00 0.00 H new ATOM 1301 N TRP B 2 0.746 -1.928 1.085 1.00 0.00 N ATOM 1302 CA TRP B 2 0.567 -1.843 -0.395 1.00 0.00 C ATOM 1303 C TRP B 2 -0.892 -2.077 -0.901 1.00 0.00 C ATOM 1304 O TRP B 2 -1.170 -1.632 -2.011 1.00 0.00 O ATOM 1305 CB TRP B 2 1.460 -2.861 -1.137 1.00 0.00 C ATOM 1306 CG TRP B 2 2.888 -2.443 -1.441 1.00 0.00 C ATOM 1307 CD1 TRP B 2 3.999 -3.064 -0.858 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.390 -1.688 -2.499 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.180 -2.730 -1.519 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.798 -1.850 -2.517 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.747 -0.945 -3.525 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.581 -1.228 -3.531 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.537 -0.361 -4.516 1.00 0.00 C ATOM 1314 CH2 TRP B 2 4.927 -0.507 -4.529 1.00 0.00 C ATOM 0 HA TRP B 2 0.848 -0.813 -0.617 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.495 -3.775 -0.543 1.00 0.00 H new ATOM 0 HB3 TRP B 2 0.974 -3.112 -2.080 1.00 0.00 H new ATOM 0 HD1 TRP B 2 3.947 -3.721 -0.002 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.122 -3.062 -1.312 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.673 -0.835 -3.538 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.658 -1.313 -3.527 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.062 0.219 -5.293 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.502 -0.055 -5.323 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.795 -2.774 -0.174 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.244 -2.826 -0.518 1.00 0.00 C ATOM 1327 C LYS B 3 -3.976 -1.455 -0.388 1.00 0.00 C ATOM 1328 O LYS B 3 -4.730 -1.085 -1.293 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.888 -3.838 0.433 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.332 -4.171 0.029 1.00 0.00 C ATOM 1331 CD LYS B 3 -6.010 -5.166 0.993 1.00 0.00 C ATOM 1332 CE LYS B 3 -7.435 -5.557 0.557 1.00 0.00 C ATOM 1333 NZ LYS B 3 -8.049 -6.503 1.504 1.00 0.00 N ATOM 0 H LYS B 3 -1.550 -3.311 0.658 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.336 -3.109 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.295 -4.752 0.445 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.878 -3.439 1.447 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.916 -3.251 -0.006 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.335 -4.589 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -5.399 -6.066 1.065 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -6.049 -4.727 1.990 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -8.053 -4.662 0.484 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.403 -6.004 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -9.007 -6.745 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.472 -7.367 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -8.102 -6.066 2.446 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.741 -0.704 0.714 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.187 0.720 0.847 1.00 0.00 C ATOM 1349 C LEU B 4 -3.580 1.680 -0.238 1.00 0.00 C ATOM 1350 O LEU B 4 -4.322 2.490 -0.801 1.00 0.00 O ATOM 1351 CB LEU B 4 -3.921 1.185 2.309 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.398 2.609 2.718 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -5.912 2.841 2.537 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -3.998 2.912 4.175 1.00 0.00 C ATOM 0 H LEU B 4 -3.243 -1.055 1.532 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.257 0.771 0.647 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -4.395 0.468 2.979 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -2.847 1.128 2.488 1.00 0.00 H new ATOM 0 HG LEU B 4 -3.896 3.295 2.035 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -6.164 3.856 2.844 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.179 2.702 1.489 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.465 2.129 3.150 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -4.339 3.911 4.446 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -4.458 2.180 4.838 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -2.914 2.860 4.273 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.268 1.566 -0.549 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.632 2.242 -1.723 1.00 0.00 C ATOM 1368 C LEU B 5 -2.172 1.741 -3.108 1.00 0.00 C ATOM 1369 O LEU B 5 -2.229 2.535 -4.043 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.083 2.073 -1.626 1.00 0.00 C ATOM 1371 CG LEU B 5 0.875 3.068 -2.352 1.00 0.00 C ATOM 1372 CD1 LEU B 5 0.871 3.010 -3.893 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.735 4.524 -1.866 1.00 0.00 C ATOM 0 H LEU B 5 -1.615 1.007 -0.000 1.00 0.00 H new ATOM 0 HA LEU B 5 -1.900 3.298 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.176 2.093 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.154 1.074 -1.993 1.00 0.00 H new ATOM 0 HG LEU B 5 1.854 2.695 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU B 5 1.574 3.745 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.167 2.013 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -0.130 3.231 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.431 5.159 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -0.284 4.869 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.959 4.575 -0.801 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.572 0.458 -3.244 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.189 -0.104 -4.464 1.00 0.00 C ATOM 1387 C ALA B 6 -4.592 0.453 -4.790 1.00 0.00 C ATOM 1388 O ALA B 6 -4.822 0.655 -5.975 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.206 -1.639 -4.405 1.00 0.00 C ATOM 0 H ALA B 6 -2.473 -0.228 -2.495 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.555 0.222 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.664 -2.033 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.185 -2.011 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.781 -1.963 -3.538 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.499 0.694 -3.814 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.751 1.479 -4.044 1.00 0.00 C ATOM 1397 C LYS B 7 -6.484 2.991 -4.346 1.00 0.00 C ATOM 1398 O LYS B 7 -6.956 3.556 -5.354 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.606 1.346 -2.783 1.00 0.00 C ATOM 1400 CG LYS B 7 -9.026 1.889 -3.007 1.00 0.00 C ATOM 1401 CD LYS B 7 -9.940 1.722 -1.776 1.00 0.00 C ATOM 1402 CE LYS B 7 -11.373 2.234 -2.017 1.00 0.00 C ATOM 1403 NZ LYS B 7 -12.221 2.050 -0.826 1.00 0.00 N ATOM 0 H LYS B 7 -5.393 0.359 -2.856 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.254 1.081 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -7.658 0.299 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -7.134 1.887 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -8.967 2.946 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.475 1.376 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -9.978 0.669 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.506 2.258 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -11.343 3.291 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -11.812 1.705 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -13.178 2.405 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -12.269 1.039 -0.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -11.815 2.576 -0.026 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.659 3.603 -3.459 1.00 0.00 N ATOM 1418 CA GLY B 8 -5.070 4.945 -3.673 1.00 0.00 C ATOM 1419 C GLY B 8 -4.506 5.234 -5.084 1.00 0.00 C ATOM 1420 O GLY B 8 -4.757 6.328 -5.591 1.00 0.00 O ATOM 0 H GLY B 8 -5.384 3.177 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.832 5.692 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.267 5.084 -2.949 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.776 4.273 -5.703 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.425 4.346 -7.147 1.00 0.00 C ATOM 1426 C LEU B 9 -4.411 3.616 -8.133 1.00 0.00 C ATOM 1427 O LEU B 9 -4.302 3.860 -9.337 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.934 4.040 -7.417 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.085 5.217 -8.011 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -0.215 4.796 -9.204 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -1.730 6.467 -8.637 1.00 0.00 C ATOM 0 H LEU B 9 -3.420 3.442 -5.230 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.576 5.396 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.474 3.723 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.876 3.195 -8.103 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.619 5.469 -7.058 1.00 0.00 H new ATOM 0 HD11 LEU B 9 0.346 5.657 -9.567 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.479 4.016 -8.891 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.852 4.415 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.949 7.146 -8.980 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.351 6.171 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.346 6.970 -7.892 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.392 2.807 -7.674 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.589 2.339 -8.481 1.00 0.00 C ATOM 1445 C LEU B 10 -7.456 3.548 -8.999 1.00 0.00 C ATOM 1446 O LEU B 10 -8.244 3.384 -9.931 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.468 1.274 -7.754 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.260 0.204 -8.570 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -9.557 0.699 -9.236 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -7.398 -0.589 -9.574 1.00 0.00 C ATOM 0 H LEU B 10 -5.394 2.444 -6.721 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.168 1.829 -9.348 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.816 0.735 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -8.193 1.816 -7.147 1.00 0.00 H new ATOM 0 HG LEU B 10 -8.573 -0.485 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -10.026 -0.124 -9.776 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -10.241 1.068 -8.471 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -9.324 1.504 -9.933 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -8.023 -1.311 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.953 0.098 -10.294 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -6.608 -1.115 -9.039 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.243 4.762 -8.432 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.609 6.097 -9.024 1.00 0.00 C ATOM 1464 C ILE B 11 -7.447 6.282 -10.596 1.00 0.00 C ATOM 1465 O ILE B 11 -7.863 7.320 -11.116 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.623 7.127 -8.310 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -6.999 8.633 -8.422 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.118 6.965 -8.736 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.353 9.020 -7.805 1.00 0.00 C ATOM 0 H ILE B 11 -6.797 4.854 -7.519 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.678 6.235 -8.861 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.751 6.838 -7.267 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.218 9.222 -7.942 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -7.006 8.911 -9.476 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.510 7.700 -8.209 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.775 5.962 -8.484 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.025 7.121 -9.811 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.520 10.089 -7.936 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.150 8.465 -8.300 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.350 8.781 -6.742 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.747 5.342 -11.285 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.299 5.414 -12.710 1.00 0.00 C ATOM 1483 C ARG B 12 -7.144 6.225 -13.728 1.00 0.00 C ATOM 1484 O ARG B 12 -6.624 7.119 -14.401 1.00 0.00 O ATOM 1485 CB ARG B 12 -6.157 3.975 -13.255 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.309 2.987 -12.937 1.00 0.00 C ATOM 1487 CD ARG B 12 -7.297 1.680 -13.769 1.00 0.00 C ATOM 1488 NE ARG B 12 -8.280 0.645 -13.332 1.00 0.00 N ATOM 1489 CZ ARG B 12 -9.602 0.671 -13.598 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -10.203 1.637 -14.289 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -10.345 -0.320 -13.142 1.00 0.00 N ATOM 0 H ARG B 12 -6.463 4.468 -10.843 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.369 5.979 -12.641 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -6.048 4.032 -14.338 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.231 3.554 -12.863 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -7.264 2.727 -11.879 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -8.259 3.495 -13.100 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -7.494 1.929 -14.812 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -6.296 1.250 -13.727 1.00 0.00 H new ATOM 0 HE ARG B 12 -7.924 -0.143 -12.790 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -9.658 2.419 -14.653 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -11.209 1.596 -14.455 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -9.916 -1.075 -12.606 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -11.348 -0.331 -13.325 1.00 0.00 H new