USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=6 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 Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 174:sc= 0.0984 (180deg=0.0891) USER MOD Single : A 120 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= -0.713 K(o=-0.71,f=-0.18) 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=-0.13) USER MOD Single : A 145 MET CE :methyl -172:sc= -0.177 (180deg=-0.322) USER MOD Single : A 158 SER OG : rot -57:sc= 0.00734 USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 MET CE :methyl -175:sc= 0 (180deg=-0.0469) USER MOD Single : A 167 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.556) 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 -5.497 -2.342 -15.323 1.00 0.00 N ATOM 200 CA ILE A 106 -4.475 -2.609 -14.252 1.00 0.00 C ATOM 201 C ILE A 106 -2.983 -2.549 -14.746 1.00 0.00 C ATOM 202 O ILE A 106 -2.166 -1.922 -14.063 1.00 0.00 O ATOM 203 CB ILE A 106 -4.750 -3.914 -13.414 1.00 0.00 C ATOM 204 CG1 ILE A 106 -4.925 -5.216 -14.250 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.917 -3.716 -12.414 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.875 -6.538 -13.465 1.00 0.00 C ATOM 0 HA ILE A 106 -4.605 -1.766 -13.573 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.831 -4.074 -12.850 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.881 -5.163 -14.771 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.147 -5.241 -15.013 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.077 -4.638 -11.854 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.671 -2.910 -11.723 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.825 -3.461 -12.960 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.008 -7.374 -14.152 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.910 -6.629 -12.966 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.671 -6.549 -12.721 1.00 0.00 H new ATOM 218 N LEU A 107 -2.624 -3.142 -15.910 1.00 0.00 N ATOM 219 CA LEU A 107 -1.263 -2.992 -16.522 1.00 0.00 C ATOM 220 C LEU A 107 -0.931 -1.523 -16.937 1.00 0.00 C ATOM 221 O LEU A 107 0.147 -1.029 -16.596 1.00 0.00 O ATOM 222 CB LEU A 107 -1.090 -4.030 -17.674 1.00 0.00 C ATOM 223 CG LEU A 107 0.339 -4.373 -18.197 1.00 0.00 C ATOM 224 CD1 LEU A 107 1.024 -3.236 -18.979 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.286 -4.939 -17.117 1.00 0.00 C ATOM 0 H LEU A 107 -3.254 -3.733 -16.453 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.516 -3.216 -15.760 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.548 -4.962 -17.344 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.671 -3.673 -18.524 1.00 0.00 H new ATOM 0 HG LEU A 107 0.147 -5.174 -18.911 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.012 -3.562 -19.304 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.421 -2.979 -19.850 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.124 -2.361 -18.336 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.259 -5.152 -17.561 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.404 -4.208 -16.317 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.865 -5.858 -16.709 1.00 0.00 H new ATOM 237 N LYS A 108 -1.864 -0.825 -17.617 1.00 0.00 N ATOM 238 CA LYS A 108 -1.769 0.636 -17.858 1.00 0.00 C ATOM 239 C LYS A 108 -1.700 1.561 -16.608 1.00 0.00 C ATOM 240 O LYS A 108 -1.136 2.650 -16.711 1.00 0.00 O ATOM 241 CB LYS A 108 -3.012 0.978 -18.679 1.00 0.00 C ATOM 242 CG LYS A 108 -2.842 2.277 -19.476 1.00 0.00 C ATOM 243 CD LYS A 108 -4.040 2.553 -20.407 1.00 0.00 C ATOM 244 CE LYS A 108 -3.793 3.732 -21.360 1.00 0.00 C ATOM 245 NZ LYS A 108 -4.954 3.974 -22.236 1.00 0.00 N ATOM 0 H LYS A 108 -2.701 -1.252 -18.014 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.815 0.827 -18.349 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.229 0.159 -19.365 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.870 1.072 -18.013 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.722 3.111 -18.785 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.929 2.220 -20.069 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.254 1.658 -20.991 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.924 2.759 -19.803 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.580 4.630 -20.781 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.912 3.530 -21.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.752 4.777 -22.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.142 3.125 -22.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.788 4.192 -21.654 1.00 0.00 H new ATOM 259 N ALA A 109 -2.245 1.124 -15.455 1.00 0.00 N ATOM 260 CA ALA A 109 -2.053 1.782 -14.140 1.00 0.00 C ATOM 261 C ALA A 109 -0.635 1.594 -13.512 1.00 0.00 C ATOM 262 O ALA A 109 -0.101 2.535 -12.920 1.00 0.00 O ATOM 263 CB ALA A 109 -3.174 1.302 -13.227 1.00 0.00 C ATOM 0 H ALA A 109 -2.838 0.295 -15.407 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.105 2.862 -14.281 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.068 1.765 -12.246 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.137 1.579 -13.657 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.121 0.218 -13.124 1.00 0.00 H new ATOM 269 N PHE A 110 0.011 0.409 -13.610 1.00 0.00 N ATOM 270 CA PHE A 110 1.478 0.275 -13.326 1.00 0.00 C ATOM 271 C PHE A 110 2.310 1.226 -14.294 1.00 0.00 C ATOM 272 O PHE A 110 3.324 1.773 -13.862 1.00 0.00 O ATOM 273 CB PHE A 110 1.800 -1.238 -13.343 1.00 0.00 C ATOM 274 CG PHE A 110 3.287 -1.624 -13.266 1.00 0.00 C ATOM 275 CD1 PHE A 110 4.062 -1.716 -14.423 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.907 -1.744 -12.026 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.451 -1.792 -14.333 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.299 -1.734 -11.931 1.00 0.00 C ATOM 279 CZ PHE A 110 6.074 -1.767 -13.085 1.00 0.00 C ATOM 0 H PHE A 110 -0.444 -0.463 -13.879 1.00 0.00 H new ATOM 0 HA PHE A 110 1.779 0.630 -12.340 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.282 -1.706 -12.506 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.383 -1.665 -14.255 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.584 -1.728 -15.391 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.308 -1.845 -11.133 1.00 0.00 H new ATOM 0 HE1 PHE A 110 6.046 -1.870 -15.231 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.774 -1.701 -10.962 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.152 -1.773 -13.016 1.00 0.00 H new ATOM 289 N LYS A 111 1.864 1.453 -15.561 1.00 0.00 N ATOM 290 CA LYS A 111 2.360 2.563 -16.428 1.00 0.00 C ATOM 291 C LYS A 111 2.017 3.995 -15.880 1.00 0.00 C ATOM 292 O LYS A 111 2.812 4.909 -16.107 1.00 0.00 O ATOM 293 CB LYS A 111 1.760 2.423 -17.832 1.00 0.00 C ATOM 294 CG LYS A 111 2.579 1.493 -18.746 1.00 0.00 C ATOM 295 CD LYS A 111 3.929 2.103 -19.179 1.00 0.00 C ATOM 296 CE LYS A 111 4.712 1.228 -20.178 1.00 0.00 C ATOM 297 NZ LYS A 111 5.976 1.863 -20.590 1.00 0.00 N ATOM 0 H LYS A 111 1.153 0.875 -16.010 1.00 0.00 H new ATOM 0 HA LYS A 111 3.446 2.474 -16.444 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.743 2.039 -17.750 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.693 3.409 -18.292 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.762 0.552 -18.226 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.992 1.258 -19.634 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.749 3.080 -19.628 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.544 2.268 -18.294 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.923 0.259 -19.725 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.096 1.041 -21.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.520 1.202 -21.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.770 2.725 -21.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 6.531 2.111 -19.746 1.00 0.00 H new ATOM 311 N LEU A 112 0.872 4.201 -15.166 1.00 0.00 N ATOM 312 CA LEU A 112 0.607 5.445 -14.348 1.00 0.00 C ATOM 313 C LEU A 112 1.729 5.689 -13.302 1.00 0.00 C ATOM 314 O LEU A 112 2.114 6.854 -13.147 1.00 0.00 O ATOM 315 CB LEU A 112 -0.799 5.553 -13.645 1.00 0.00 C ATOM 316 CG LEU A 112 -1.900 6.101 -14.599 1.00 0.00 C ATOM 317 CD1 LEU A 112 -3.300 5.838 -14.033 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.759 7.608 -14.914 1.00 0.00 C ATOM 0 H LEU A 112 0.109 3.524 -15.134 1.00 0.00 H new ATOM 0 HA LEU A 112 0.600 6.228 -15.107 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.096 4.570 -13.279 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.718 6.205 -12.776 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.762 5.559 -15.535 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.050 6.231 -14.720 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.447 4.765 -13.910 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.400 6.331 -13.066 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.561 7.916 -15.584 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.819 8.180 -13.988 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.797 7.791 -15.392 1.00 0.00 H new ATOM 330 N PHE A 113 2.289 4.643 -12.637 1.00 0.00 N ATOM 331 CA PHE A 113 3.556 4.809 -11.878 1.00 0.00 C ATOM 332 C PHE A 113 4.727 5.319 -12.811 1.00 0.00 C ATOM 333 O PHE A 113 5.326 6.346 -12.495 1.00 0.00 O ATOM 334 CB PHE A 113 4.127 3.544 -11.166 1.00 0.00 C ATOM 335 CG PHE A 113 3.444 2.606 -10.145 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.267 2.991 -8.807 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.560 1.239 -10.441 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.252 2.015 -7.799 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.619 0.292 -9.423 1.00 0.00 C ATOM 340 CZ PHE A 113 3.410 0.676 -8.123 1.00 0.00 C ATOM 0 H PHE A 113 1.896 3.702 -12.611 1.00 0.00 H new ATOM 0 HA PHE A 113 3.254 5.523 -11.112 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.445 2.888 -11.977 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.030 3.891 -10.664 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.143 4.034 -8.554 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.604 0.918 -11.471 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.117 2.307 -6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.829 -0.742 -9.656 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.368 -0.071 -7.345 1.00 0.00 H new ATOM 350 N ASP A 114 4.992 4.608 -13.939 1.00 0.00 N ATOM 351 CA ASP A 114 6.190 4.746 -14.814 1.00 0.00 C ATOM 352 C ASP A 114 6.573 6.183 -15.302 1.00 0.00 C ATOM 353 O ASP A 114 6.193 6.677 -16.369 1.00 0.00 O ATOM 354 CB ASP A 114 6.018 3.726 -15.977 1.00 0.00 C ATOM 355 CG ASP A 114 7.293 3.182 -16.642 1.00 0.00 C ATOM 356 OD1 ASP A 114 8.423 3.464 -16.180 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.156 2.435 -17.635 1.00 0.00 O ATOM 0 H ASP A 114 4.350 3.892 -14.279 1.00 0.00 H new ATOM 0 HA ASP A 114 7.063 4.524 -14.200 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.449 2.877 -15.598 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.411 4.197 -16.750 1.00 0.00 H new ATOM 422 N LYS A 120 10.401 -0.666 -14.683 1.00 0.00 N ATOM 423 CA LYS A 120 10.367 -0.754 -13.204 1.00 0.00 C ATOM 424 C LYS A 120 10.341 0.658 -12.578 1.00 0.00 C ATOM 425 O LYS A 120 10.553 1.682 -13.243 1.00 0.00 O ATOM 426 CB LYS A 120 11.639 -1.442 -12.688 1.00 0.00 C ATOM 427 CG LYS A 120 11.753 -2.939 -13.054 1.00 0.00 C ATOM 428 CD LYS A 120 12.625 -3.723 -12.052 1.00 0.00 C ATOM 429 CE LYS A 120 12.598 -5.243 -12.287 1.00 0.00 C ATOM 430 NZ LYS A 120 13.422 -5.958 -11.296 1.00 0.00 N ATOM 0 HA LYS A 120 9.474 -1.316 -12.929 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.507 -0.917 -13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.676 -1.343 -11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.756 -3.379 -13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.177 -3.035 -14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.654 -3.369 -12.121 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.282 -3.512 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.570 -5.602 -12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.961 -5.463 -13.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.381 -6.980 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.407 -5.632 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.059 -5.767 -10.340 1.00 0.00 H new ATOM 444 N ILE A 121 10.001 0.690 -11.279 1.00 0.00 N ATOM 445 CA ILE A 121 9.627 1.972 -10.589 1.00 0.00 C ATOM 446 C ILE A 121 10.221 2.181 -9.156 1.00 0.00 C ATOM 447 O ILE A 121 10.754 1.268 -8.521 1.00 0.00 O ATOM 448 CB ILE A 121 8.060 2.188 -10.661 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.138 1.145 -9.958 1.00 0.00 C ATOM 450 CG2 ILE A 121 7.609 2.397 -12.131 1.00 0.00 C ATOM 451 CD1 ILE A 121 6.890 1.450 -8.481 1.00 0.00 C ATOM 0 H ILE A 121 9.972 -0.134 -10.679 1.00 0.00 H new ATOM 0 HA ILE A 121 10.120 2.767 -11.149 1.00 0.00 H new ATOM 0 HB ILE A 121 7.916 3.084 -10.058 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.181 1.108 -10.479 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.588 0.156 -10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.529 2.544 -12.163 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.107 3.275 -12.543 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.873 1.519 -12.721 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.241 0.685 -8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.840 1.458 -7.947 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.412 2.425 -8.386 1.00 0.00 H new ATOM 463 N SER A 122 10.128 3.448 -8.691 1.00 0.00 N ATOM 464 CA SER A 122 10.749 3.948 -7.432 1.00 0.00 C ATOM 465 C SER A 122 9.705 4.603 -6.461 1.00 0.00 C ATOM 466 O SER A 122 8.546 4.835 -6.817 1.00 0.00 O ATOM 467 CB SER A 122 11.888 4.910 -7.860 1.00 0.00 C ATOM 468 OG SER A 122 12.704 5.285 -6.758 1.00 0.00 O ATOM 0 H SER A 122 9.608 4.171 -9.188 1.00 0.00 H new ATOM 0 HA SER A 122 11.156 3.126 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.503 4.429 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.458 5.803 -8.315 1.00 0.00 H new ATOM 0 HG SER A 122 13.411 5.890 -7.066 1.00 0.00 H new ATOM 474 N PHE A 123 10.160 4.916 -5.225 1.00 0.00 N ATOM 475 CA PHE A 123 9.403 5.661 -4.160 1.00 0.00 C ATOM 476 C PHE A 123 8.517 6.876 -4.605 1.00 0.00 C ATOM 477 O PHE A 123 7.342 6.980 -4.223 1.00 0.00 O ATOM 478 CB PHE A 123 10.469 6.003 -3.057 1.00 0.00 C ATOM 479 CG PHE A 123 10.027 6.856 -1.850 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.874 8.242 -1.997 1.00 0.00 C ATOM 481 CD2 PHE A 123 9.720 6.263 -0.621 1.00 0.00 C ATOM 482 CE1 PHE A 123 9.304 8.999 -0.981 1.00 0.00 C ATOM 483 CE2 PHE A 123 9.197 7.034 0.414 1.00 0.00 C ATOM 484 CZ PHE A 123 8.938 8.389 0.214 1.00 0.00 C ATOM 0 H PHE A 123 11.097 4.653 -4.919 1.00 0.00 H new ATOM 0 HA PHE A 123 8.606 5.019 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.863 5.062 -2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.296 6.520 -3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 123 10.201 8.724 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.889 5.206 -0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.146 10.058 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 123 8.992 6.582 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.453 8.966 0.988 1.00 0.00 H new ATOM 494 N LYS A 124 9.113 7.796 -5.378 1.00 0.00 N ATOM 495 CA LYS A 124 8.396 8.982 -5.918 1.00 0.00 C ATOM 496 C LYS A 124 7.269 8.685 -6.937 1.00 0.00 C ATOM 497 O LYS A 124 6.254 9.379 -6.927 1.00 0.00 O ATOM 498 CB LYS A 124 9.381 9.961 -6.567 1.00 0.00 C ATOM 499 CG LYS A 124 10.138 10.772 -5.508 1.00 0.00 C ATOM 500 CD LYS A 124 10.939 11.940 -6.113 1.00 0.00 C ATOM 501 CE LYS A 124 11.744 12.685 -5.038 1.00 0.00 C ATOM 502 NZ LYS A 124 12.494 13.821 -5.601 1.00 0.00 N ATOM 0 H LYS A 124 10.095 7.749 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 124 7.912 9.410 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.092 9.410 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.841 10.638 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.428 11.163 -4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.817 10.112 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.616 11.561 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.258 12.634 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.068 13.045 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.438 11.993 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.024 14.297 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.158 13.475 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.831 14.494 -6.035 1.00 0.00 H new ATOM 516 N ASN A 125 7.420 7.647 -7.773 1.00 0.00 N ATOM 517 CA ASN A 125 6.346 7.140 -8.682 1.00 0.00 C ATOM 518 C ASN A 125 5.013 6.759 -7.920 1.00 0.00 C ATOM 519 O ASN A 125 3.943 7.300 -8.278 1.00 0.00 O ATOM 520 CB ASN A 125 6.893 5.995 -9.609 1.00 0.00 C ATOM 521 CG ASN A 125 8.081 6.237 -10.585 1.00 0.00 C ATOM 522 OD1 ASN A 125 8.075 5.716 -11.698 1.00 0.00 O ATOM 523 ND2 ASN A 125 9.134 6.969 -10.233 1.00 0.00 N ATOM 0 H ASN A 125 8.292 7.123 -7.848 1.00 0.00 H new ATOM 0 HA ASN A 125 6.054 7.963 -9.334 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.181 5.170 -8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.054 5.647 -10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 125 9.912 7.087 -10.881 1.00 0.00 H new ATOM 0 HD22 ASN A 125 9.163 7.412 -9.315 1.00 0.00 H new ATOM 530 N LEU A 126 5.134 5.922 -6.833 1.00 0.00 N ATOM 531 CA LEU A 126 4.058 5.621 -5.831 1.00 0.00 C ATOM 532 C LEU A 126 3.375 6.943 -5.354 1.00 0.00 C ATOM 533 O LEU A 126 2.224 7.207 -5.720 1.00 0.00 O ATOM 534 CB LEU A 126 4.595 4.867 -4.554 1.00 0.00 C ATOM 535 CG LEU A 126 5.051 3.385 -4.552 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.339 3.122 -5.345 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.274 2.905 -3.098 1.00 0.00 C ATOM 0 H LEU A 126 6.004 5.429 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 126 3.348 4.971 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.444 5.447 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.810 4.945 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 126 4.249 2.833 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.588 2.062 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.190 3.409 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.154 3.708 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.594 1.863 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.042 3.518 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.343 2.995 -2.538 1.00 0.00 H new ATOM 549 N LYS A 127 4.151 7.794 -4.640 1.00 0.00 N ATOM 550 CA LYS A 127 3.728 9.149 -4.241 1.00 0.00 C ATOM 551 C LYS A 127 3.250 10.156 -5.320 1.00 0.00 C ATOM 552 O LYS A 127 2.644 11.165 -4.969 1.00 0.00 O ATOM 553 CB LYS A 127 4.994 9.761 -3.659 1.00 0.00 C ATOM 554 CG LYS A 127 4.672 10.859 -2.619 1.00 0.00 C ATOM 555 CD LYS A 127 5.938 11.522 -2.042 1.00 0.00 C ATOM 556 CE LYS A 127 5.626 12.582 -0.967 1.00 0.00 C ATOM 557 NZ LYS A 127 6.858 13.204 -0.448 1.00 0.00 N ATOM 0 H LYS A 127 5.091 7.554 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 127 2.851 9.006 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.593 8.980 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.596 10.186 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 127 4.047 11.622 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.092 10.424 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.580 10.753 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.499 11.988 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 127 4.979 13.351 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 127 5.077 12.119 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.612 13.912 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.464 12.473 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.368 13.666 -1.227 1.00 0.00 H new ATOM 571 N ARG A 128 3.600 9.950 -6.597 1.00 0.00 N ATOM 572 CA ARG A 128 3.427 10.956 -7.671 1.00 0.00 C ATOM 573 C ARG A 128 2.010 10.946 -8.202 1.00 0.00 C ATOM 574 O ARG A 128 1.254 11.905 -8.020 1.00 0.00 O ATOM 575 CB ARG A 128 4.368 10.582 -8.818 1.00 0.00 C ATOM 576 CG ARG A 128 5.640 11.444 -8.853 1.00 0.00 C ATOM 577 CD ARG A 128 5.454 12.787 -9.589 1.00 0.00 C ATOM 578 NE ARG A 128 6.747 13.500 -9.749 1.00 0.00 N ATOM 579 CZ ARG A 128 6.895 14.674 -10.392 1.00 0.00 C ATOM 580 NH1 ARG A 128 5.892 15.346 -10.956 1.00 0.00 N ATOM 581 NH2 ARG A 128 8.108 15.192 -10.469 1.00 0.00 N ATOM 0 H ARG A 128 4.015 9.077 -6.923 1.00 0.00 H new ATOM 0 HA ARG A 128 3.645 11.946 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.649 9.533 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.838 10.686 -9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.964 11.641 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.438 10.881 -9.337 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.011 12.608 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.757 13.415 -9.034 1.00 0.00 H new ATOM 0 HE ARG A 128 7.579 13.071 -9.344 1.00 0.00 H new ATOM 0 HH11 ARG A 128 4.943 14.975 -10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.073 16.232 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.899 14.704 -10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.254 16.080 -10.949 1.00 0.00 H new ATOM 595 N VAL A 129 1.671 9.812 -8.819 1.00 0.00 N ATOM 596 CA VAL A 129 0.251 9.524 -9.192 1.00 0.00 C ATOM 597 C VAL A 129 -0.713 9.330 -7.993 1.00 0.00 C ATOM 598 O VAL A 129 -1.860 9.781 -8.085 1.00 0.00 O ATOM 599 CB VAL A 129 0.201 8.336 -10.178 1.00 0.00 C ATOM 600 CG1 VAL A 129 1.287 7.267 -10.031 1.00 0.00 C ATOM 601 CG2 VAL A 129 -1.141 7.805 -10.701 1.00 0.00 C ATOM 0 H VAL A 129 2.333 9.080 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.126 10.421 -9.683 1.00 0.00 H new ATOM 0 HB VAL A 129 0.491 8.938 -11.039 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.138 6.491 -10.782 1.00 0.00 H new ATOM 0 HG12 VAL A 129 2.267 7.723 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.230 6.825 -9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.963 6.971 -11.380 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.750 7.467 -9.863 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.665 8.600 -11.232 1.00 0.00 H new ATOM 611 N ALA A 130 -0.276 8.663 -6.899 1.00 0.00 N ATOM 612 CA ALA A 130 -1.103 8.635 -5.647 1.00 0.00 C ATOM 613 C ALA A 130 -1.178 10.019 -4.933 1.00 0.00 C ATOM 614 O ALA A 130 -2.162 10.337 -4.259 1.00 0.00 O ATOM 615 CB ALA A 130 -0.630 7.553 -4.659 1.00 0.00 C ATOM 0 H ALA A 130 0.606 8.153 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.111 8.382 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.259 7.572 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.700 6.573 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.405 7.746 -4.376 1.00 0.00 H new ATOM 621 N LYS A 131 -0.127 10.824 -5.154 1.00 0.00 N ATOM 622 CA LYS A 131 -0.095 12.260 -4.763 1.00 0.00 C ATOM 623 C LYS A 131 -1.060 13.222 -5.512 1.00 0.00 C ATOM 624 O LYS A 131 -1.546 14.164 -4.879 1.00 0.00 O ATOM 625 CB LYS A 131 1.342 12.763 -4.902 1.00 0.00 C ATOM 626 CG LYS A 131 1.546 14.021 -4.044 1.00 0.00 C ATOM 627 CD LYS A 131 2.995 14.552 -4.058 1.00 0.00 C ATOM 628 CE LYS A 131 3.227 15.714 -3.071 1.00 0.00 C ATOM 629 NZ LYS A 131 4.624 16.179 -3.103 1.00 0.00 N ATOM 0 H LYS A 131 0.729 10.507 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.461 12.281 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.040 11.985 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.558 12.987 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.877 14.805 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.259 13.800 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.676 13.736 -3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.243 14.885 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.561 16.541 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.973 15.391 -2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 4.745 16.961 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.257 15.396 -2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.858 16.510 -4.061 1.00 0.00 H new ATOM 643 N GLU A 132 -1.358 12.998 -6.814 1.00 0.00 N ATOM 644 CA GLU A 132 -2.446 13.725 -7.552 1.00 0.00 C ATOM 645 C GLU A 132 -3.840 13.695 -6.848 1.00 0.00 C ATOM 646 O GLU A 132 -4.488 14.737 -6.715 1.00 0.00 O ATOM 647 CB GLU A 132 -2.654 13.171 -8.991 1.00 0.00 C ATOM 648 CG GLU A 132 -1.444 13.211 -9.956 1.00 0.00 C ATOM 649 CD GLU A 132 -1.624 12.385 -11.241 1.00 0.00 C ATOM 650 OE1 GLU A 132 -2.029 11.202 -11.166 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.353 12.919 -12.339 1.00 0.00 O ATOM 0 H GLU A 132 -0.862 12.316 -7.388 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.085 14.753 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.983 12.135 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.469 13.729 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.248 14.248 -10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.562 12.849 -9.427 1.00 0.00 H new ATOM 658 N LEU A 133 -4.258 12.501 -6.382 1.00 0.00 N ATOM 659 CA LEU A 133 -5.431 12.315 -5.480 1.00 0.00 C ATOM 660 C LEU A 133 -5.351 13.101 -4.131 1.00 0.00 C ATOM 661 O LEU A 133 -6.301 13.798 -3.764 1.00 0.00 O ATOM 662 CB LEU A 133 -5.643 10.766 -5.311 1.00 0.00 C ATOM 663 CG LEU A 133 -6.307 10.159 -4.034 1.00 0.00 C ATOM 664 CD1 LEU A 133 -7.762 10.581 -3.769 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.210 8.622 -4.045 1.00 0.00 C ATOM 0 H LEU A 133 -3.792 11.625 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.312 12.763 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.237 10.435 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.662 10.301 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 133 -5.730 10.581 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.120 10.100 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.811 11.664 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.387 10.279 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.679 8.221 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.720 8.232 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.162 8.324 -4.071 1.00 0.00 H new ATOM 773 N GLU A 141 5.135 5.168 6.507 1.00 0.00 N ATOM 774 CA GLU A 141 4.310 4.162 5.772 1.00 0.00 C ATOM 775 C GLU A 141 4.823 3.877 4.329 1.00 0.00 C ATOM 776 O GLU A 141 5.061 2.721 3.984 1.00 0.00 O ATOM 777 CB GLU A 141 2.836 4.631 5.680 1.00 0.00 C ATOM 778 CG GLU A 141 2.070 4.684 7.021 1.00 0.00 C ATOM 779 CD GLU A 141 0.616 5.146 6.869 1.00 0.00 C ATOM 780 OE1 GLU A 141 0.370 6.372 6.851 1.00 0.00 O ATOM 781 OE2 GLU A 141 -0.285 4.284 6.769 1.00 0.00 O ATOM 0 HA GLU A 141 4.391 3.239 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.816 5.624 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.302 3.964 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.084 3.695 7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.589 5.358 7.702 1.00 0.00 H new ATOM 788 N LEU A 142 5.016 4.934 3.524 1.00 0.00 N ATOM 789 CA LEU A 142 5.638 4.890 2.164 1.00 0.00 C ATOM 790 C LEU A 142 7.012 4.121 2.033 1.00 0.00 C ATOM 791 O LEU A 142 7.199 3.293 1.127 1.00 0.00 O ATOM 792 CB LEU A 142 5.699 6.390 1.693 1.00 0.00 C ATOM 793 CG LEU A 142 5.125 6.698 0.287 1.00 0.00 C ATOM 794 CD1 LEU A 142 4.854 8.202 0.077 1.00 0.00 C ATOM 795 CD2 LEU A 142 6.016 6.191 -0.850 1.00 0.00 C ATOM 0 H LEU A 142 4.740 5.877 3.797 1.00 0.00 H new ATOM 0 HA LEU A 142 5.025 4.272 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.162 6.998 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.740 6.712 1.714 1.00 0.00 H new ATOM 0 HG LEU A 142 4.180 6.156 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.453 8.363 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 142 4.133 8.549 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.785 8.758 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.559 6.438 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.996 6.664 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.129 5.110 -0.769 1.00 0.00 H new ATOM 807 N GLN A 143 7.946 4.376 2.974 1.00 0.00 N ATOM 808 CA GLN A 143 9.213 3.604 3.141 1.00 0.00 C ATOM 809 C GLN A 143 8.984 2.110 3.529 1.00 0.00 C ATOM 810 O GLN A 143 9.647 1.239 2.966 1.00 0.00 O ATOM 811 CB GLN A 143 10.127 4.304 4.188 1.00 0.00 C ATOM 812 CG GLN A 143 10.846 5.589 3.704 1.00 0.00 C ATOM 813 CD GLN A 143 11.547 6.374 4.825 1.00 0.00 C ATOM 814 OE1 GLN A 143 11.010 6.586 5.914 1.00 0.00 O ATOM 815 NE2 GLN A 143 12.746 6.866 4.563 1.00 0.00 N ATOM 0 H GLN A 143 7.847 5.132 3.652 1.00 0.00 H new ATOM 0 HA GLN A 143 9.704 3.593 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.523 4.555 5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.882 3.590 4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.584 5.318 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.118 6.240 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.185 6.687 3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.232 7.425 5.264 1.00 0.00 H new ATOM 824 N GLU A 144 8.038 1.812 4.444 1.00 0.00 N ATOM 825 CA GLU A 144 7.560 0.447 4.747 1.00 0.00 C ATOM 826 C GLU A 144 7.031 -0.378 3.547 1.00 0.00 C ATOM 827 O GLU A 144 7.346 -1.567 3.460 1.00 0.00 O ATOM 828 CB GLU A 144 6.432 0.641 5.804 1.00 0.00 C ATOM 829 CG GLU A 144 6.196 -0.518 6.784 1.00 0.00 C ATOM 830 CD GLU A 144 4.905 -0.383 7.604 1.00 0.00 C ATOM 831 OE1 GLU A 144 3.844 -0.857 7.142 1.00 0.00 O ATOM 832 OE2 GLU A 144 4.947 0.198 8.712 1.00 0.00 O ATOM 0 H GLU A 144 7.576 2.528 5.004 1.00 0.00 H new ATOM 0 HA GLU A 144 8.409 -0.143 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 144 6.660 1.535 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 144 5.499 0.834 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 144 6.164 -1.453 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 144 7.044 -0.583 7.466 1.00 0.00 H new ATOM 839 N MET A 145 6.272 0.250 2.619 1.00 0.00 N ATOM 840 CA MET A 145 5.920 -0.375 1.319 1.00 0.00 C ATOM 841 C MET A 145 7.195 -0.750 0.517 1.00 0.00 C ATOM 842 O MET A 145 7.409 -1.937 0.260 1.00 0.00 O ATOM 843 CB MET A 145 4.976 0.546 0.485 1.00 0.00 C ATOM 844 CG MET A 145 3.492 0.509 0.860 1.00 0.00 C ATOM 845 SD MET A 145 3.185 1.321 2.440 1.00 0.00 S ATOM 846 CE MET A 145 2.199 2.755 1.962 1.00 0.00 C ATOM 0 H MET A 145 5.891 1.188 2.745 1.00 0.00 H new ATOM 0 HA MET A 145 5.377 -1.296 1.529 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.328 1.573 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.071 0.272 -0.566 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.907 0.997 0.080 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.155 -0.526 0.911 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.067 3.409 2.824 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.710 3.299 1.168 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.224 2.423 1.605 1.00 0.00 H new ATOM 856 N ILE A 146 8.053 0.226 0.171 1.00 0.00 N ATOM 857 CA ILE A 146 9.218 -0.041 -0.730 1.00 0.00 C ATOM 858 C ILE A 146 10.302 -1.040 -0.187 1.00 0.00 C ATOM 859 O ILE A 146 10.851 -1.834 -0.953 1.00 0.00 O ATOM 860 CB ILE A 146 9.797 1.314 -1.269 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.401 1.156 -2.692 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.821 2.011 -0.337 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.375 0.947 -3.816 1.00 0.00 C ATOM 0 H ILE A 146 7.976 1.193 0.488 1.00 0.00 H new ATOM 0 HA ILE A 146 8.826 -0.608 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 146 8.929 1.972 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.991 2.044 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 146 11.088 0.310 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.161 2.938 -0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.349 2.234 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.674 1.352 -0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.895 0.848 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.800 0.042 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.701 1.803 -3.858 1.00 0.00 H new ATOM 875 N ASP A 147 10.558 -1.000 1.128 1.00 0.00 N ATOM 876 CA ASP A 147 11.370 -2.013 1.857 1.00 0.00 C ATOM 877 C ASP A 147 10.716 -3.433 1.939 1.00 0.00 C ATOM 878 O ASP A 147 11.448 -4.417 1.805 1.00 0.00 O ATOM 879 CB ASP A 147 11.735 -1.509 3.278 1.00 0.00 C ATOM 880 CG ASP A 147 12.708 -0.317 3.341 1.00 0.00 C ATOM 881 OD1 ASP A 147 13.850 -0.442 2.844 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.340 0.741 3.896 1.00 0.00 O ATOM 0 H ASP A 147 10.207 -0.258 1.733 1.00 0.00 H new ATOM 0 HA ASP A 147 12.275 -2.135 1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 147 10.815 -1.229 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.171 -2.338 3.836 1.00 0.00 H new ATOM 887 N GLU A 148 9.381 -3.561 2.135 1.00 0.00 N ATOM 888 CA GLU A 148 8.646 -4.842 2.045 1.00 0.00 C ATOM 889 C GLU A 148 8.746 -5.580 0.679 1.00 0.00 C ATOM 890 O GLU A 148 9.112 -6.759 0.664 1.00 0.00 O ATOM 891 CB GLU A 148 7.177 -4.482 2.378 1.00 0.00 C ATOM 892 CG GLU A 148 6.797 -4.404 3.877 1.00 0.00 C ATOM 893 CD GLU A 148 6.765 -5.757 4.601 1.00 0.00 C ATOM 894 OE1 GLU A 148 5.747 -6.477 4.495 1.00 0.00 O ATOM 895 OE2 GLU A 148 7.757 -6.104 5.281 1.00 0.00 O ATOM 0 H GLU A 148 8.780 -2.769 2.362 1.00 0.00 H new ATOM 0 HA GLU A 148 9.091 -5.558 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 148 6.952 -3.519 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.531 -5.220 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 148 7.508 -3.752 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 148 5.816 -3.936 3.966 1.00 0.00 H new ATOM 902 N ALA A 149 8.432 -4.900 -0.445 1.00 0.00 N ATOM 903 CA ALA A 149 8.604 -5.484 -1.807 1.00 0.00 C ATOM 904 C ALA A 149 10.080 -5.721 -2.235 1.00 0.00 C ATOM 905 O ALA A 149 10.406 -6.827 -2.675 1.00 0.00 O ATOM 906 CB ALA A 149 7.872 -4.629 -2.859 1.00 0.00 C ATOM 0 H ALA A 149 8.059 -3.950 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 149 8.156 -6.476 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 149 8.009 -5.071 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 149 6.809 -4.592 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.280 -3.618 -2.854 1.00 0.00 H new ATOM 1001 N VAL A 157 10.869 -1.789 -8.522 1.00 0.00 N ATOM 1002 CA VAL A 157 9.641 -2.625 -8.366 1.00 0.00 C ATOM 1003 C VAL A 157 9.125 -3.082 -9.773 1.00 0.00 C ATOM 1004 O VAL A 157 9.398 -2.480 -10.817 1.00 0.00 O ATOM 1005 CB VAL A 157 8.596 -1.780 -7.538 1.00 0.00 C ATOM 1006 CG1 VAL A 157 7.093 -2.039 -7.780 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.833 -1.881 -6.020 1.00 0.00 C ATOM 0 HA VAL A 157 9.835 -3.547 -7.818 1.00 0.00 H new ATOM 0 HB VAL A 157 8.800 -0.785 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.503 -1.384 -7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 157 6.853 -1.838 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.861 -3.078 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.089 -1.282 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.748 -2.922 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.830 -1.510 -5.782 1.00 0.00 H new ATOM 1017 N SER A 158 8.387 -4.203 -9.745 1.00 0.00 N ATOM 1018 CA SER A 158 7.845 -4.886 -10.938 1.00 0.00 C ATOM 1019 C SER A 158 6.307 -4.720 -11.045 1.00 0.00 C ATOM 1020 O SER A 158 5.612 -4.270 -10.125 1.00 0.00 O ATOM 1021 CB SER A 158 8.209 -6.410 -10.819 1.00 0.00 C ATOM 1022 OG SER A 158 7.405 -7.089 -9.859 1.00 0.00 O ATOM 0 H SER A 158 8.143 -4.673 -8.873 1.00 0.00 H new ATOM 0 HA SER A 158 8.279 -4.444 -11.835 1.00 0.00 H new ATOM 0 HB2 SER A 158 8.088 -6.886 -11.792 1.00 0.00 H new ATOM 0 HB3 SER A 158 9.259 -6.509 -10.544 1.00 0.00 H new ATOM 0 HG SER A 158 7.490 -6.646 -8.989 1.00 0.00 H new ATOM 1028 N GLU A 159 5.796 -5.169 -12.205 1.00 0.00 N ATOM 1029 CA GLU A 159 4.328 -5.357 -12.454 1.00 0.00 C ATOM 1030 C GLU A 159 3.545 -6.152 -11.362 1.00 0.00 C ATOM 1031 O GLU A 159 2.401 -5.813 -11.044 1.00 0.00 O ATOM 1032 CB GLU A 159 4.048 -5.962 -13.852 1.00 0.00 C ATOM 1033 CG GLU A 159 4.652 -7.327 -14.261 1.00 0.00 C ATOM 1034 CD GLU A 159 4.189 -7.765 -15.657 1.00 0.00 C ATOM 1035 OE1 GLU A 159 4.862 -7.418 -16.654 1.00 0.00 O ATOM 1036 OE2 GLU A 159 3.150 -8.454 -15.763 1.00 0.00 O ATOM 0 H GLU A 159 6.377 -5.416 -13.006 1.00 0.00 H new ATOM 0 HA GLU A 159 3.939 -4.340 -12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.966 -6.048 -13.953 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.380 -5.231 -14.589 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.740 -7.262 -14.244 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.366 -8.084 -13.530 1.00 0.00 H new ATOM 1043 N GLN A 160 4.213 -7.157 -10.772 1.00 0.00 N ATOM 1044 CA GLN A 160 3.692 -7.938 -9.614 1.00 0.00 C ATOM 1045 C GLN A 160 3.288 -7.140 -8.334 1.00 0.00 C ATOM 1046 O GLN A 160 2.479 -7.671 -7.570 1.00 0.00 O ATOM 1047 CB GLN A 160 4.704 -9.042 -9.209 1.00 0.00 C ATOM 1048 CG GLN A 160 4.986 -10.128 -10.273 1.00 0.00 C ATOM 1049 CD GLN A 160 6.025 -11.152 -9.797 1.00 0.00 C ATOM 1050 OE1 GLN A 160 7.232 -10.936 -9.907 1.00 0.00 O ATOM 1051 NE2 GLN A 160 5.587 -12.275 -9.250 1.00 0.00 N ATOM 0 H GLN A 160 5.137 -7.460 -11.080 1.00 0.00 H new ATOM 0 HA GLN A 160 2.756 -8.345 -9.997 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.648 -8.563 -8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.335 -9.532 -8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 160 4.057 -10.643 -10.519 1.00 0.00 H new ATOM 0 HG3 GLN A 160 5.339 -9.654 -11.189 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.585 -12.443 -9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 160 6.252 -12.972 -8.914 1.00 0.00 H new ATOM 1060 N GLU A 161 3.784 -5.913 -8.074 1.00 0.00 N ATOM 1061 CA GLU A 161 3.407 -5.146 -6.861 1.00 0.00 C ATOM 1062 C GLU A 161 2.083 -4.357 -6.961 1.00 0.00 C ATOM 1063 O GLU A 161 1.193 -4.623 -6.147 1.00 0.00 O ATOM 1064 CB GLU A 161 4.573 -4.240 -6.444 1.00 0.00 C ATOM 1065 CG GLU A 161 5.781 -4.941 -5.788 1.00 0.00 C ATOM 1066 CD GLU A 161 6.643 -5.923 -6.595 1.00 0.00 C ATOM 1067 OE1 GLU A 161 6.278 -7.115 -6.687 1.00 0.00 O ATOM 1068 OE2 GLU A 161 7.712 -5.520 -7.100 1.00 0.00 O ATOM 0 H GLU A 161 4.444 -5.430 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 161 3.208 -5.887 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.925 -3.706 -7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.193 -3.491 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.444 -4.160 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 161 5.407 -5.481 -4.918 1.00 0.00 H new ATOM 1075 N PHE A 162 1.897 -3.428 -7.928 1.00 0.00 N ATOM 1076 CA PHE A 162 0.533 -2.811 -8.136 1.00 0.00 C ATOM 1077 C PHE A 162 -0.494 -3.901 -8.559 1.00 0.00 C ATOM 1078 O PHE A 162 -1.519 -4.020 -7.882 1.00 0.00 O ATOM 1079 CB PHE A 162 0.519 -1.558 -9.067 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.682 -0.554 -9.142 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -1.965 -0.804 -8.611 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.515 0.618 -9.908 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.060 -0.037 -8.990 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.610 1.386 -10.267 1.00 0.00 C ATOM 1085 CZ PHE A 162 -2.882 1.029 -9.855 1.00 0.00 C ATOM 0 H PHE A 162 2.625 -3.091 -8.558 1.00 0.00 H new ATOM 0 HA PHE A 162 0.225 -2.407 -7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.397 -0.968 -8.803 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.676 -1.926 -10.081 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.098 -1.605 -7.898 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.475 0.919 -10.217 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.044 -0.271 -8.612 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.470 2.269 -10.872 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.738 1.584 -10.209 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.202 -4.739 -9.581 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.172 -5.786 -10.015 1.00 0.00 C ATOM 1097 C LEU A 163 -1.343 -6.967 -9.019 1.00 0.00 C ATOM 1098 O LEU A 163 -2.483 -7.354 -8.743 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.843 -6.343 -11.432 1.00 0.00 C ATOM 1100 CG LEU A 163 -0.981 -5.427 -12.680 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.093 -4.169 -12.710 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.716 -6.251 -13.953 1.00 0.00 C ATOM 0 H LEU A 163 0.669 -4.718 -10.111 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.126 -5.259 -10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.185 -6.704 -11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.482 -7.211 -11.595 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.003 -5.051 -12.627 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.280 -3.613 -13.629 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -0.325 -3.539 -11.851 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.956 -4.463 -12.671 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.813 -5.609 -14.829 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.292 -6.664 -13.916 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -1.439 -7.064 -14.017 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.242 -7.539 -8.505 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.298 -8.695 -7.586 1.00 0.00 C ATOM 1116 C ARG A 164 -0.736 -8.405 -6.132 1.00 0.00 C ATOM 1117 O ARG A 164 -1.466 -9.230 -5.577 1.00 0.00 O ATOM 1118 CB ARG A 164 1.094 -9.325 -7.599 1.00 0.00 C ATOM 1119 CG ARG A 164 1.081 -10.757 -7.046 1.00 0.00 C ATOM 1120 CD ARG A 164 2.483 -11.391 -7.058 1.00 0.00 C ATOM 1121 NE ARG A 164 2.457 -12.799 -6.585 1.00 0.00 N ATOM 1122 CZ ARG A 164 3.511 -13.453 -6.058 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.711 -12.909 -5.870 1.00 0.00 N ATOM 1124 NH2 ARG A 164 3.343 -14.714 -5.702 1.00 0.00 N ATOM 0 H ARG A 164 0.705 -7.219 -8.710 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.085 -9.354 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.479 -9.333 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.775 -8.713 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.695 -10.749 -6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.401 -11.369 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.889 -11.355 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 164 3.151 -10.807 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 164 1.577 -13.308 -6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.877 -11.937 -6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.465 -13.464 -5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 164 2.436 -15.163 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 164 4.120 -15.238 -5.300 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.326 -7.266 -5.523 1.00 0.00 N ATOM 1139 CA ILE A 165 -0.880 -6.854 -4.197 1.00 0.00 C ATOM 1140 C ILE A 165 -2.369 -6.353 -4.329 1.00 0.00 C ATOM 1141 O ILE A 165 -3.168 -6.734 -3.466 1.00 0.00 O ATOM 1142 CB ILE A 165 0.019 -5.850 -3.376 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.572 -6.060 -3.315 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.490 -5.797 -1.905 1.00 0.00 C ATOM 1145 CD1 ILE A 165 2.102 -7.453 -2.942 1.00 0.00 C ATOM 0 H ILE A 165 0.368 -6.627 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.874 -7.762 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.098 -4.933 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.982 -5.798 -4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.977 -5.347 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.127 -5.105 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.526 -5.458 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.428 -6.791 -1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.192 -7.440 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.742 -7.725 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.748 -8.184 -3.669 1.00 0.00 H new ATOM 1157 N MET A 166 -2.775 -5.577 -5.373 1.00 0.00 N ATOM 1158 CA MET A 166 -4.220 -5.259 -5.621 1.00 0.00 C ATOM 1159 C MET A 166 -5.167 -6.499 -5.785 1.00 0.00 C ATOM 1160 O MET A 166 -6.246 -6.493 -5.184 1.00 0.00 O ATOM 1161 CB MET A 166 -4.359 -4.281 -6.823 1.00 0.00 C ATOM 1162 CG MET A 166 -5.769 -3.712 -7.086 1.00 0.00 C ATOM 1163 SD MET A 166 -6.388 -2.831 -5.634 1.00 0.00 S ATOM 1164 CE MET A 166 -8.164 -3.111 -5.775 1.00 0.00 C ATOM 0 H MET A 166 -2.135 -5.163 -6.051 1.00 0.00 H new ATOM 0 HA MET A 166 -4.567 -4.779 -4.706 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.678 -3.445 -6.664 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.026 -4.797 -7.723 1.00 0.00 H new ATOM 0 HG2 MET A 166 -5.740 -3.037 -7.941 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.451 -4.523 -7.343 1.00 0.00 H new ATOM 0 HE1 MET A 166 -8.683 -2.551 -4.997 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.508 -2.777 -6.754 1.00 0.00 H new ATOM 0 HE3 MET A 166 -8.375 -4.174 -5.660 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.792 -7.524 -6.581 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.679 -8.680 -6.870 1.00 0.00 C ATOM 1176 C LYS A 167 -5.837 -9.664 -5.690 1.00 0.00 C ATOM 1177 O LYS A 167 -6.881 -9.669 -5.030 1.00 0.00 O ATOM 1178 CB LYS A 167 -5.079 -9.399 -8.082 1.00 0.00 C ATOM 1179 CG LYS A 167 -6.050 -10.442 -8.657 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.518 -11.281 -9.844 1.00 0.00 C ATOM 1181 CE LYS A 167 -5.425 -10.586 -11.223 1.00 0.00 C ATOM 1182 NZ LYS A 167 -4.240 -9.718 -11.367 1.00 0.00 N ATOM 0 H LYS A 167 -3.881 -7.577 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.686 -8.307 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.830 -8.669 -8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -4.149 -9.887 -7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -6.337 -11.123 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -6.956 -9.928 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -4.524 -11.643 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -6.158 -12.157 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -5.405 -11.347 -12.004 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -6.324 -9.990 -11.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -3.997 -9.627 -12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -4.449 -8.778 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -3.438 -10.137 -10.854 1.00 0.00 H new ATOM 1301 N TRP B 2 0.994 -2.178 1.101 1.00 0.00 N ATOM 1302 CA TRP B 2 0.774 -2.000 -0.367 1.00 0.00 C ATOM 1303 C TRP B 2 -0.705 -2.172 -0.842 1.00 0.00 C ATOM 1304 O TRP B 2 -0.990 -1.734 -1.955 1.00 0.00 O ATOM 1305 CB TRP B 2 1.673 -2.952 -1.183 1.00 0.00 C ATOM 1306 CG TRP B 2 3.080 -2.464 -1.477 1.00 0.00 C ATOM 1307 CD1 TRP B 2 4.211 -3.027 -0.881 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.554 -1.688 -2.532 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.370 -2.674 -1.563 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.963 -1.811 -2.556 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.890 -0.935 -3.531 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.731 -1.159 -3.564 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.663 -0.310 -4.514 1.00 0.00 C ATOM 1314 CH2 TRP B 2 5.055 -0.435 -4.544 1.00 0.00 C ATOM 0 HA TRP B 2 1.040 -0.959 -0.550 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.745 -3.898 -0.647 1.00 0.00 H new ATOM 0 HB3 TRP B 2 1.178 -3.160 -2.132 1.00 0.00 H new ATOM 0 HD1 TRP B 2 4.188 -3.656 -0.003 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.321 -2.988 -1.369 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.814 -0.846 -3.533 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.809 -1.224 -3.568 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.172 0.285 -5.270 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.615 0.036 -5.338 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.625 -2.805 -0.075 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.085 -2.783 -0.370 1.00 0.00 C ATOM 1327 C LYS B 3 -3.736 -1.384 -0.121 1.00 0.00 C ATOM 1328 O LYS B 3 -4.528 -0.924 -0.949 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.742 -3.821 0.542 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.212 -4.062 0.164 1.00 0.00 C ATOM 1331 CD LYS B 3 -5.897 -5.104 1.068 1.00 0.00 C ATOM 1332 CE LYS B 3 -7.347 -5.414 0.649 1.00 0.00 C ATOM 1333 NZ LYS B 3 -7.959 -6.424 1.530 1.00 0.00 N ATOM 0 H LYS B 3 -1.383 -3.341 0.758 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.234 -3.007 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.192 -4.760 0.480 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.683 -3.485 1.577 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.757 -3.120 0.225 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.266 -4.395 -0.872 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -5.316 -6.026 1.052 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -5.893 -4.742 2.096 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -7.939 -4.499 0.677 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.361 -5.771 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -8.934 -6.609 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.408 -7.305 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.967 -6.072 2.508 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.395 -0.703 1.001 1.00 0.00 N ATOM 1348 CA LEU B 4 -3.740 0.737 1.232 1.00 0.00 C ATOM 1349 C LEU B 4 -3.191 1.693 0.109 1.00 0.00 C ATOM 1350 O LEU B 4 -3.948 2.515 -0.418 1.00 0.00 O ATOM 1351 CB LEU B 4 -3.266 1.114 2.666 1.00 0.00 C ATOM 1352 CG LEU B 4 -3.636 2.523 3.209 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -5.157 2.765 3.304 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -2.979 2.750 4.587 1.00 0.00 C ATOM 0 H LEU B 4 -2.877 -1.126 1.771 1.00 0.00 H new ATOM 0 HA LEU B 4 -4.820 0.873 1.167 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -3.669 0.373 3.357 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -2.181 1.019 2.695 1.00 0.00 H new ATOM 0 HG LEU B 4 -3.251 3.243 2.486 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.343 3.767 3.690 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -5.603 2.669 2.314 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.601 2.030 3.975 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -3.245 3.740 4.958 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -3.332 1.993 5.287 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -1.896 2.678 4.490 1.00 0.00 H new ATOM 1366 N LEU B 5 -1.903 1.538 -0.280 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.318 2.181 -1.496 1.00 0.00 C ATOM 1368 C LEU B 5 -1.982 1.709 -2.839 1.00 0.00 C ATOM 1369 O LEU B 5 -2.051 2.507 -3.769 1.00 0.00 O ATOM 1370 CB LEU B 5 0.225 1.930 -1.508 1.00 0.00 C ATOM 1371 CG LEU B 5 1.176 2.939 -2.219 1.00 0.00 C ATOM 1372 CD1 LEU B 5 0.995 3.083 -3.745 1.00 0.00 C ATOM 1373 CD2 LEU B 5 1.203 4.327 -1.548 1.00 0.00 C ATOM 0 H LEU B 5 -1.235 0.965 0.236 1.00 0.00 H new ATOM 0 HA LEU B 5 -1.525 3.249 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.549 1.857 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.390 0.954 -1.963 1.00 0.00 H new ATOM 0 HG LEU B 5 2.149 2.465 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU B 5 1.710 3.811 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.166 2.119 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -0.019 3.421 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.884 4.981 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU B 5 0.201 4.756 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU B 5 1.543 4.226 -0.517 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.488 0.458 -2.945 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.309 -0.019 -4.082 1.00 0.00 C ATOM 1387 C ALA B 6 -4.701 0.661 -4.221 1.00 0.00 C ATOM 1388 O ALA B 6 -5.159 0.726 -5.355 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.449 -1.551 -4.067 1.00 0.00 C ATOM 0 H ALA B 6 -2.335 -0.257 -2.234 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.753 0.286 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -4.057 -1.869 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.462 -2.007 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.928 -1.864 -3.139 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.374 1.135 -3.146 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.559 2.054 -3.256 1.00 0.00 C ATOM 1397 C LYS B 7 -6.153 3.482 -3.762 1.00 0.00 C ATOM 1398 O LYS B 7 -6.656 4.018 -4.780 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.200 2.213 -1.872 1.00 0.00 C ATOM 1400 CG LYS B 7 -7.801 0.891 -1.362 1.00 0.00 C ATOM 1401 CD LYS B 7 -8.403 0.945 0.060 1.00 0.00 C ATOM 1402 CE LYS B 7 -9.722 1.738 0.184 1.00 0.00 C ATOM 1403 NZ LYS B 7 -10.248 1.701 1.560 1.00 0.00 N ATOM 0 H LYS B 7 -5.125 0.902 -2.185 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.250 1.611 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.451 2.568 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -7.981 2.972 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -8.579 0.573 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -7.024 0.126 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -8.577 -0.075 0.403 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -7.667 1.386 0.732 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -9.555 2.773 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -10.462 1.324 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -11.134 2.243 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -10.430 0.715 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -9.551 2.119 2.209 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.155 4.052 -3.034 1.00 0.00 N ATOM 1418 CA GLY B 8 -4.414 5.264 -3.470 1.00 0.00 C ATOM 1419 C GLY B 8 -4.035 5.310 -4.973 1.00 0.00 C ATOM 1420 O GLY B 8 -4.239 6.350 -5.603 1.00 0.00 O ATOM 0 H GLY B 8 -4.844 3.686 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.019 6.141 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.501 5.342 -2.880 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.529 4.182 -5.532 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.398 4.008 -7.000 1.00 0.00 C ATOM 1426 C LEU B 9 -4.562 3.298 -7.771 1.00 0.00 C ATOM 1427 O LEU B 9 -4.589 3.358 -8.999 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.974 3.523 -7.354 1.00 0.00 C ATOM 1429 CG LEU B 9 -0.932 4.647 -7.656 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -0.151 4.405 -8.963 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -1.468 6.023 -8.045 1.00 0.00 C ATOM 0 H LEU B 9 -3.206 3.381 -4.989 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.536 5.008 -7.412 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.600 2.918 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.038 2.869 -8.224 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.398 4.621 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU B 9 0.558 5.218 -9.119 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.390 3.461 -8.894 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.847 4.364 -9.801 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.634 6.701 -8.225 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.068 5.937 -8.951 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.086 6.415 -7.237 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.590 2.778 -7.087 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.936 2.425 -7.683 1.00 0.00 C ATOM 1445 C LEU B 10 -7.581 3.686 -8.381 1.00 0.00 C ATOM 1446 O LEU B 10 -8.437 3.515 -9.254 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.919 1.744 -6.687 1.00 0.00 C ATOM 1448 CG LEU B 10 -9.244 1.149 -7.246 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -9.031 0.066 -8.322 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -10.109 0.588 -6.099 1.00 0.00 C ATOM 0 H LEU B 10 -5.534 2.579 -6.088 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.743 1.665 -8.440 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -7.380 0.941 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -8.180 2.478 -5.924 1.00 0.00 H new ATOM 0 HG LEU B 10 -9.761 1.975 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -9.998 -0.302 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -8.486 0.492 -9.164 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -8.458 -0.759 -7.899 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -11.032 0.176 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -9.560 -0.197 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -10.348 1.388 -5.399 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.090 4.916 -8.044 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.226 6.164 -8.887 1.00 0.00 C ATOM 1464 C ILE B 11 -7.174 6.014 -10.467 1.00 0.00 C ATOM 1465 O ILE B 11 -7.515 6.957 -11.187 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.026 7.134 -8.474 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -6.244 8.637 -8.827 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -4.585 6.742 -9.004 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -7.562 9.270 -8.348 1.00 0.00 C ATOM 0 H ILE B 11 -6.583 5.080 -7.174 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.234 6.524 -8.681 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.050 6.990 -7.394 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -5.418 9.210 -8.406 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -6.187 8.745 -9.910 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -3.858 7.476 -8.657 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.314 5.756 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.591 6.724 -10.094 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -7.596 10.316 -8.654 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -8.404 8.736 -8.789 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -7.622 9.208 -7.261 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.636 4.876 -10.960 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.278 4.611 -12.374 1.00 0.00 C ATOM 1483 C ARG B 12 -7.297 5.001 -13.477 1.00 0.00 C ATOM 1484 O ARG B 12 -6.940 5.721 -14.414 1.00 0.00 O ATOM 1485 CB ARG B 12 -5.936 3.117 -12.490 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.007 2.088 -12.061 1.00 0.00 C ATOM 1487 CD ARG B 12 -6.510 0.625 -12.178 1.00 0.00 C ATOM 1488 NE ARG B 12 -7.468 -0.398 -11.678 1.00 0.00 N ATOM 1489 CZ ARG B 12 -8.474 -0.932 -12.400 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -8.730 -0.621 -13.669 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -9.254 -1.820 -11.811 1.00 0.00 N ATOM 0 H ARG B 12 -6.430 4.080 -10.356 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.443 5.280 -12.581 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.677 2.914 -13.529 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.041 2.933 -11.896 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -7.303 2.286 -11.031 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -7.896 2.216 -12.678 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -6.287 0.414 -13.224 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -5.575 0.528 -11.626 1.00 0.00 H new ATOM 0 HE ARG B 12 -7.355 -0.720 -10.717 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -8.147 0.061 -14.155 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -9.509 -1.064 -14.156 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -9.086 -2.082 -10.840 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -10.025 -2.244 -12.327 1.00 0.00 H new