USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=5 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+ 180:sc= 0 (180deg=0) 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+ -166:sc= 0 (180deg=-0.15) USER MOD Single : A 125 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.096) 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=-0.19) USER MOD Single : A 145 MET CE :methyl 179:sc= -0.144 (180deg=-0.146) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 166 MET CE :methyl -170:sc= 0 (180deg=-0.0128) 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 -5.555 -1.902 -15.423 1.00 0.00 N ATOM 200 CA ILE A 106 -4.529 -1.999 -14.323 1.00 0.00 C ATOM 201 C ILE A 106 -3.035 -1.964 -14.816 1.00 0.00 C ATOM 202 O ILE A 106 -2.211 -1.324 -14.155 1.00 0.00 O ATOM 203 CB ILE A 106 -4.773 -3.194 -13.325 1.00 0.00 C ATOM 204 CG1 ILE A 106 -4.928 -4.587 -14.003 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.938 -2.889 -12.344 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.903 -5.809 -13.070 1.00 0.00 C ATOM 0 HA ILE A 106 -4.685 -1.078 -13.761 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.853 -3.273 -12.746 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.869 -4.596 -14.553 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.129 -4.701 -14.736 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.078 -3.735 -11.671 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.700 -1.998 -11.763 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.855 -2.720 -12.909 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.020 -6.719 -13.659 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.952 -5.841 -12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.719 -5.735 -12.351 1.00 0.00 H new ATOM 218 N LEU A 107 -2.691 -2.584 -15.969 1.00 0.00 N ATOM 219 CA LEU A 107 -1.363 -2.413 -16.635 1.00 0.00 C ATOM 220 C LEU A 107 -1.071 -0.939 -17.067 1.00 0.00 C ATOM 221 O LEU A 107 0.027 -0.450 -16.800 1.00 0.00 O ATOM 222 CB LEU A 107 -1.237 -3.442 -17.802 1.00 0.00 C ATOM 223 CG LEU A 107 0.166 -3.749 -18.412 1.00 0.00 C ATOM 224 CD1 LEU A 107 0.788 -2.586 -19.211 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.178 -4.315 -17.393 1.00 0.00 C ATOM 0 H LEU A 107 -3.318 -3.216 -16.468 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.581 -2.626 -15.906 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.653 -4.386 -17.450 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.876 -3.094 -18.614 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.050 -4.538 -19.132 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.761 -2.889 -19.597 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.133 -2.324 -20.042 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.910 -1.721 -18.559 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.129 -4.503 -17.891 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.326 -3.595 -16.589 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.795 -5.248 -16.979 1.00 0.00 H new ATOM 237 N LYS A 108 -2.046 -0.231 -17.677 1.00 0.00 N ATOM 238 CA LYS A 108 -1.965 1.234 -17.927 1.00 0.00 C ATOM 239 C LYS A 108 -1.752 2.152 -16.687 1.00 0.00 C ATOM 240 O LYS A 108 -1.030 3.144 -16.782 1.00 0.00 O ATOM 241 CB LYS A 108 -3.268 1.609 -18.640 1.00 0.00 C ATOM 242 CG LYS A 108 -3.029 2.344 -19.965 1.00 0.00 C ATOM 243 CD LYS A 108 -2.408 3.749 -19.831 1.00 0.00 C ATOM 244 CE LYS A 108 -2.138 4.404 -21.199 1.00 0.00 C ATOM 245 NZ LYS A 108 -1.525 5.736 -21.049 1.00 0.00 N ATOM 0 H LYS A 108 -2.912 -0.653 -18.011 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.063 1.410 -18.513 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.846 0.705 -18.830 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.868 2.239 -17.983 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.376 1.733 -20.589 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.980 2.433 -20.490 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.077 4.385 -19.252 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.474 3.679 -19.274 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.480 3.764 -21.787 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.073 4.493 -21.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.357 6.149 -21.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.164 6.354 -20.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.621 5.647 -20.543 1.00 0.00 H new ATOM 259 N ALA A 109 -2.364 1.800 -15.545 1.00 0.00 N ATOM 260 CA ALA A 109 -2.085 2.420 -14.222 1.00 0.00 C ATOM 261 C ALA A 109 -0.607 2.237 -13.706 1.00 0.00 C ATOM 262 O ALA A 109 0.013 3.209 -13.252 1.00 0.00 O ATOM 263 CB ALA A 109 -3.160 1.886 -13.270 1.00 0.00 C ATOM 0 H ALA A 109 -3.075 1.070 -15.505 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.145 3.506 -14.295 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.008 2.307 -12.276 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.146 2.171 -13.638 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.092 0.799 -13.217 1.00 0.00 H new ATOM 269 N PHE A 110 -0.021 1.014 -13.795 1.00 0.00 N ATOM 270 CA PHE A 110 1.455 0.794 -13.628 1.00 0.00 C ATOM 271 C PHE A 110 2.280 1.608 -14.719 1.00 0.00 C ATOM 272 O PHE A 110 3.425 1.964 -14.458 1.00 0.00 O ATOM 273 CB PHE A 110 1.684 -0.745 -13.607 1.00 0.00 C ATOM 274 CG PHE A 110 3.140 -1.243 -13.475 1.00 0.00 C ATOM 275 CD1 PHE A 110 3.977 -1.219 -14.595 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.680 -1.589 -12.233 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.353 -1.372 -14.449 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.066 -1.708 -12.081 1.00 0.00 C ATOM 279 CZ PHE A 110 5.898 -1.595 -13.193 1.00 0.00 C ATOM 0 H PHE A 110 -0.543 0.158 -13.982 1.00 0.00 H new ATOM 0 HA PHE A 110 1.836 1.192 -12.687 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.109 -1.160 -12.779 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.267 -1.161 -14.524 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.554 -1.081 -15.579 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.027 -1.765 -11.391 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.997 -1.317 -15.314 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.490 -1.887 -11.104 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.968 -1.681 -13.077 1.00 0.00 H new ATOM 289 N LYS A 111 1.737 1.902 -15.928 1.00 0.00 N ATOM 290 CA LYS A 111 2.304 2.909 -16.870 1.00 0.00 C ATOM 291 C LYS A 111 2.219 4.380 -16.337 1.00 0.00 C ATOM 292 O LYS A 111 3.132 5.155 -16.634 1.00 0.00 O ATOM 293 CB LYS A 111 1.571 2.836 -18.215 1.00 0.00 C ATOM 294 CG LYS A 111 1.842 1.506 -18.939 1.00 0.00 C ATOM 295 CD LYS A 111 1.124 1.334 -20.302 1.00 0.00 C ATOM 296 CE LYS A 111 1.536 2.265 -21.467 1.00 0.00 C ATOM 297 NZ LYS A 111 2.881 1.992 -22.010 1.00 0.00 N ATOM 0 H LYS A 111 0.894 1.449 -16.280 1.00 0.00 H new ATOM 0 HA LYS A 111 3.359 2.659 -16.980 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.499 2.950 -18.052 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.887 3.666 -18.847 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.916 1.411 -19.099 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.543 0.688 -18.284 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.273 0.305 -20.629 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.055 1.464 -20.134 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.805 2.169 -22.270 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.498 3.299 -21.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.084 2.655 -22.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.590 2.111 -21.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.919 1.017 -22.370 1.00 0.00 H new ATOM 311 N LEU A 112 1.170 4.769 -15.554 1.00 0.00 N ATOM 312 CA LEU A 112 1.146 6.056 -14.780 1.00 0.00 C ATOM 313 C LEU A 112 2.343 6.156 -13.780 1.00 0.00 C ATOM 314 O LEU A 112 2.930 7.239 -13.684 1.00 0.00 O ATOM 315 CB LEU A 112 -0.204 6.385 -14.064 1.00 0.00 C ATOM 316 CG LEU A 112 -1.495 6.359 -14.931 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.745 6.512 -14.046 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.504 7.427 -16.045 1.00 0.00 C ATOM 0 H LEU A 112 0.325 4.209 -15.440 1.00 0.00 H new ATOM 0 HA LEU A 112 1.254 6.823 -15.547 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.333 5.677 -13.245 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.117 7.376 -13.618 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.510 5.387 -15.425 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.638 6.491 -14.671 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.785 5.693 -13.328 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.698 7.461 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.432 7.354 -16.612 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.429 8.419 -15.599 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.658 7.264 -16.712 1.00 0.00 H new ATOM 330 N PHE A 113 2.745 5.051 -13.097 1.00 0.00 N ATOM 331 CA PHE A 113 4.047 5.002 -12.355 1.00 0.00 C ATOM 332 C PHE A 113 5.299 5.427 -13.225 1.00 0.00 C ATOM 333 O PHE A 113 6.111 6.232 -12.772 1.00 0.00 O ATOM 334 CB PHE A 113 4.436 3.567 -11.827 1.00 0.00 C ATOM 335 CG PHE A 113 3.834 2.787 -10.644 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.637 3.311 -9.359 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.914 1.393 -10.797 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.517 2.437 -8.267 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.837 0.542 -9.707 1.00 0.00 C ATOM 340 CZ PHE A 113 3.585 1.064 -8.463 1.00 0.00 C ATOM 0 H PHE A 113 2.200 4.191 -13.041 1.00 0.00 H new ATOM 0 HA PHE A 113 3.853 5.700 -11.541 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.319 2.909 -12.688 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.503 3.625 -11.613 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.578 4.379 -9.210 1.00 0.00 H new ATOM 0 HD2 PHE A 113 4.038 0.976 -11.785 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.372 2.833 -7.273 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.974 -0.522 -9.835 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.438 0.398 -7.626 1.00 0.00 H new ATOM 350 N ASP A 114 5.460 4.850 -14.434 1.00 0.00 N ATOM 351 CA ASP A 114 6.703 4.912 -15.238 1.00 0.00 C ATOM 352 C ASP A 114 6.746 6.115 -16.219 1.00 0.00 C ATOM 353 O ASP A 114 6.462 6.002 -17.417 1.00 0.00 O ATOM 354 CB ASP A 114 6.782 3.505 -15.892 1.00 0.00 C ATOM 355 CG ASP A 114 8.064 3.141 -16.637 1.00 0.00 C ATOM 356 OD1 ASP A 114 9.175 3.535 -16.214 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.952 2.422 -17.653 1.00 0.00 O ATOM 0 H ASP A 114 4.718 4.318 -14.889 1.00 0.00 H new ATOM 0 HA ASP A 114 7.593 5.114 -14.641 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.626 2.762 -15.110 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.950 3.412 -16.590 1.00 0.00 H new ATOM 422 N LYS A 120 10.396 -0.422 -14.525 1.00 0.00 N ATOM 423 CA LYS A 120 10.393 -0.634 -13.049 1.00 0.00 C ATOM 424 C LYS A 120 10.604 0.720 -12.317 1.00 0.00 C ATOM 425 O LYS A 120 11.283 1.611 -12.843 1.00 0.00 O ATOM 426 CB LYS A 120 11.532 -1.567 -12.570 1.00 0.00 C ATOM 427 CG LYS A 120 11.305 -3.096 -12.663 1.00 0.00 C ATOM 428 CD LYS A 120 11.435 -3.777 -14.044 1.00 0.00 C ATOM 429 CE LYS A 120 12.846 -3.733 -14.662 1.00 0.00 C ATOM 430 NZ LYS A 120 12.895 -4.451 -15.947 1.00 0.00 N ATOM 0 HA LYS A 120 9.429 -1.088 -12.818 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.426 -1.326 -13.146 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.748 -1.324 -11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.012 -3.578 -11.988 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.306 -3.307 -12.282 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.129 -4.819 -13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.738 -3.302 -14.734 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.147 -2.696 -14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.562 -4.176 -13.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.858 -4.402 -16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 12.632 -5.446 -15.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.230 -4.013 -16.615 1.00 0.00 H new ATOM 444 N ILE A 121 10.050 0.864 -11.089 1.00 0.00 N ATOM 445 CA ILE A 121 9.989 2.204 -10.402 1.00 0.00 C ATOM 446 C ILE A 121 10.547 2.289 -8.937 1.00 0.00 C ATOM 447 O ILE A 121 10.892 1.289 -8.302 1.00 0.00 O ATOM 448 CB ILE A 121 8.532 2.794 -10.523 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.342 1.945 -10.010 1.00 0.00 C ATOM 450 CG2 ILE A 121 8.285 3.293 -11.970 1.00 0.00 C ATOM 451 CD1 ILE A 121 7.405 1.535 -8.547 1.00 0.00 C ATOM 0 H ILE A 121 9.644 0.097 -10.553 1.00 0.00 H new ATOM 0 HA ILE A 121 10.702 2.826 -10.943 1.00 0.00 H new ATOM 0 HB ILE A 121 8.536 3.614 -9.805 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.422 2.508 -10.171 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.275 1.043 -10.618 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.277 3.700 -12.048 1.00 0.00 H new ATOM 0 HG22 ILE A 121 9.009 4.070 -12.216 1.00 0.00 H new ATOM 0 HG23 ILE A 121 8.395 2.461 -12.666 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.523 0.945 -8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.301 0.939 -8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.436 2.426 -7.920 1.00 0.00 H new ATOM 463 N SER A 122 10.610 3.545 -8.433 1.00 0.00 N ATOM 464 CA SER A 122 11.033 3.903 -7.054 1.00 0.00 C ATOM 465 C SER A 122 9.886 4.557 -6.209 1.00 0.00 C ATOM 466 O SER A 122 8.793 4.845 -6.705 1.00 0.00 O ATOM 467 CB SER A 122 12.291 4.800 -7.174 1.00 0.00 C ATOM 468 OG SER A 122 13.377 4.112 -7.792 1.00 0.00 O ATOM 0 H SER A 122 10.361 4.362 -8.990 1.00 0.00 H new ATOM 0 HA SER A 122 11.278 2.999 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.048 5.690 -7.754 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.592 5.138 -6.182 1.00 0.00 H new ATOM 0 HG SER A 122 14.151 4.710 -7.852 1.00 0.00 H new ATOM 474 N PHE A 123 10.188 4.779 -4.907 1.00 0.00 N ATOM 475 CA PHE A 123 9.338 5.485 -3.888 1.00 0.00 C ATOM 476 C PHE A 123 8.437 6.671 -4.368 1.00 0.00 C ATOM 477 O PHE A 123 7.231 6.722 -4.092 1.00 0.00 O ATOM 478 CB PHE A 123 10.342 5.912 -2.761 1.00 0.00 C ATOM 479 CG PHE A 123 9.773 6.640 -1.525 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.486 8.013 -1.574 1.00 0.00 C ATOM 481 CD2 PHE A 123 9.521 5.934 -0.347 1.00 0.00 C ATOM 482 CE1 PHE A 123 8.876 8.645 -0.495 1.00 0.00 C ATOM 483 CE2 PHE A 123 8.954 6.582 0.745 1.00 0.00 C ATOM 484 CZ PHE A 123 8.599 7.923 0.661 1.00 0.00 C ATOM 0 H PHE A 123 11.071 4.460 -4.508 1.00 0.00 H new ATOM 0 HA PHE A 123 8.561 4.794 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.856 5.016 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.096 6.557 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.740 8.583 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.767 4.884 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.619 9.692 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 123 8.788 6.040 1.664 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.108 8.405 1.494 1.00 0.00 H new ATOM 494 N LYS A 124 9.077 7.636 -5.043 1.00 0.00 N ATOM 495 CA LYS A 124 8.403 8.861 -5.536 1.00 0.00 C ATOM 496 C LYS A 124 7.324 8.636 -6.616 1.00 0.00 C ATOM 497 O LYS A 124 6.295 9.309 -6.564 1.00 0.00 O ATOM 498 CB LYS A 124 9.440 9.848 -6.087 1.00 0.00 C ATOM 499 CG LYS A 124 10.112 10.632 -4.951 1.00 0.00 C ATOM 500 CD LYS A 124 11.028 11.784 -5.413 1.00 0.00 C ATOM 501 CE LYS A 124 10.294 13.041 -5.925 1.00 0.00 C ATOM 502 NZ LYS A 124 11.244 14.103 -6.300 1.00 0.00 N ATOM 0 H LYS A 124 10.072 7.597 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 124 7.884 9.256 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.196 9.307 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.957 10.541 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.337 11.041 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.699 9.939 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.671 12.072 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.678 11.414 -6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 124 9.679 12.780 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.619 13.410 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.733 15.002 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 11.964 14.203 -5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.706 13.854 -7.198 1.00 0.00 H new ATOM 516 N ASN A 125 7.518 7.695 -7.559 1.00 0.00 N ATOM 517 CA ASN A 125 6.462 7.338 -8.559 1.00 0.00 C ATOM 518 C ASN A 125 5.112 6.859 -7.904 1.00 0.00 C ATOM 519 O ASN A 125 4.055 7.415 -8.267 1.00 0.00 O ATOM 520 CB ASN A 125 7.068 6.337 -9.601 1.00 0.00 C ATOM 521 CG ASN A 125 8.100 6.988 -10.557 1.00 0.00 C ATOM 522 OD1 ASN A 125 7.809 7.959 -11.254 1.00 0.00 O ATOM 523 ND2 ASN A 125 9.325 6.486 -10.600 1.00 0.00 N ATOM 0 H ASN A 125 8.384 7.165 -7.660 1.00 0.00 H new ATOM 0 HA ASN A 125 6.162 8.239 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.546 5.516 -9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.259 5.906 -10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.027 6.905 -11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 125 9.567 5.681 -10.022 1.00 0.00 H new ATOM 530 N LEU A 126 5.199 5.940 -6.884 1.00 0.00 N ATOM 531 CA LEU A 126 4.080 5.546 -5.967 1.00 0.00 C ATOM 532 C LEU A 126 3.359 6.825 -5.434 1.00 0.00 C ATOM 533 O LEU A 126 2.242 7.114 -5.867 1.00 0.00 O ATOM 534 CB LEU A 126 4.538 4.703 -4.712 1.00 0.00 C ATOM 535 CG LEU A 126 5.079 3.252 -4.761 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.427 3.105 -5.474 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.239 2.717 -3.318 1.00 0.00 C ATOM 0 H LEU A 126 6.067 5.446 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 126 3.422 4.918 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.312 5.294 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.681 4.679 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 126 4.349 2.682 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.732 2.059 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.332 3.444 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.177 3.707 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.620 1.696 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.939 3.349 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.271 2.729 -2.816 1.00 0.00 H new ATOM 549 N LYS A 127 4.070 7.623 -4.604 1.00 0.00 N ATOM 550 CA LYS A 127 3.587 8.923 -4.106 1.00 0.00 C ATOM 551 C LYS A 127 3.214 10.038 -5.119 1.00 0.00 C ATOM 552 O LYS A 127 2.614 11.028 -4.706 1.00 0.00 O ATOM 553 CB LYS A 127 4.785 9.457 -3.325 1.00 0.00 C ATOM 554 CG LYS A 127 4.395 10.554 -2.303 1.00 0.00 C ATOM 555 CD LYS A 127 5.610 11.073 -1.506 1.00 0.00 C ATOM 556 CE LYS A 127 5.238 12.119 -0.437 1.00 0.00 C ATOM 557 NZ LYS A 127 6.430 12.601 0.283 1.00 0.00 N ATOM 0 H LYS A 127 4.999 7.378 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 127 2.648 8.723 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.267 8.633 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.517 9.862 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.926 11.386 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.653 10.155 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.105 10.231 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.329 11.511 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 127 4.732 12.961 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 127 4.535 11.682 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.145 13.303 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.898 11.801 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.089 13.039 -0.391 1.00 0.00 H new ATOM 571 N ARG A 128 3.637 9.961 -6.390 1.00 0.00 N ATOM 572 CA ARG A 128 3.564 11.095 -7.342 1.00 0.00 C ATOM 573 C ARG A 128 2.222 11.121 -8.035 1.00 0.00 C ATOM 574 O ARG A 128 1.421 12.041 -7.838 1.00 0.00 O ATOM 575 CB ARG A 128 4.656 10.931 -8.404 1.00 0.00 C ATOM 576 CG ARG A 128 5.930 11.727 -8.073 1.00 0.00 C ATOM 577 CD ARG A 128 5.865 13.206 -8.512 1.00 0.00 C ATOM 578 NE ARG A 128 7.121 13.934 -8.196 1.00 0.00 N ATOM 579 CZ ARG A 128 7.338 15.234 -8.478 1.00 0.00 C ATOM 580 NH1 ARG A 128 6.446 16.027 -9.070 1.00 0.00 N ATOM 581 NH2 ARG A 128 8.505 15.755 -8.147 1.00 0.00 N ATOM 0 H ARG A 128 4.040 9.115 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 128 3.701 12.024 -6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.907 9.875 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.270 11.257 -9.370 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.107 11.683 -6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.783 11.250 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.675 13.258 -9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 128 5.027 13.695 -8.016 1.00 0.00 H new ATOM 0 HE ARG A 128 7.869 13.416 -7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 128 5.534 15.658 -9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.675 17.004 -9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.211 15.177 -7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.701 16.736 -8.347 1.00 0.00 H new ATOM 595 N VAL A 129 1.981 10.059 -8.811 1.00 0.00 N ATOM 596 CA VAL A 129 0.629 9.810 -9.369 1.00 0.00 C ATOM 597 C VAL A 129 -0.432 9.434 -8.288 1.00 0.00 C ATOM 598 O VAL A 129 -1.567 9.908 -8.413 1.00 0.00 O ATOM 599 CB VAL A 129 0.775 8.821 -10.548 1.00 0.00 C ATOM 600 CG1 VAL A 129 1.237 9.591 -11.785 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.719 7.615 -10.356 1.00 0.00 C ATOM 0 H VAL A 129 2.683 9.365 -9.069 1.00 0.00 H new ATOM 0 HA VAL A 129 0.207 10.733 -9.765 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.218 8.382 -10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.343 8.903 -12.623 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.501 10.355 -12.034 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.197 10.065 -11.581 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.723 7.008 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.729 7.972 -10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.373 7.012 -9.517 1.00 0.00 H new ATOM 611 N ALA A 130 -0.103 8.624 -7.248 1.00 0.00 N ATOM 612 CA ALA A 130 -1.028 8.472 -6.073 1.00 0.00 C ATOM 613 C ALA A 130 -1.179 9.776 -5.224 1.00 0.00 C ATOM 614 O ALA A 130 -2.227 10.013 -4.618 1.00 0.00 O ATOM 615 CB ALA A 130 -0.638 7.304 -5.147 1.00 0.00 C ATOM 0 H ALA A 130 0.759 8.082 -7.189 1.00 0.00 H new ATOM 0 HA ALA A 130 -1.994 8.250 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.343 7.246 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.661 6.371 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.367 7.468 -4.758 1.00 0.00 H new ATOM 621 N LYS A 131 -0.128 10.615 -5.241 1.00 0.00 N ATOM 622 CA LYS A 131 -0.162 11.999 -4.683 1.00 0.00 C ATOM 623 C LYS A 131 -1.086 13.032 -5.387 1.00 0.00 C ATOM 624 O LYS A 131 -1.597 13.918 -4.697 1.00 0.00 O ATOM 625 CB LYS A 131 1.270 12.544 -4.659 1.00 0.00 C ATOM 626 CG LYS A 131 1.387 13.741 -3.697 1.00 0.00 C ATOM 627 CD LYS A 131 2.805 14.355 -3.629 1.00 0.00 C ATOM 628 CE LYS A 131 3.000 15.459 -2.565 1.00 0.00 C ATOM 629 NZ LYS A 131 2.281 16.709 -2.884 1.00 0.00 N ATOM 0 H LYS A 131 0.776 10.362 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.605 11.886 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.958 11.756 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.564 12.849 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.682 14.513 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.092 13.421 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.520 13.555 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.050 14.769 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.658 15.088 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 131 4.064 15.675 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.451 17.409 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.623 17.084 -3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.261 16.515 -2.952 1.00 0.00 H new ATOM 643 N GLU A 132 -1.316 12.929 -6.718 1.00 0.00 N ATOM 644 CA GLU A 132 -2.370 13.721 -7.439 1.00 0.00 C ATOM 645 C GLU A 132 -3.789 13.638 -6.783 1.00 0.00 C ATOM 646 O GLU A 132 -4.430 14.673 -6.586 1.00 0.00 O ATOM 647 CB GLU A 132 -2.476 13.355 -8.942 1.00 0.00 C ATOM 648 CG GLU A 132 -1.245 13.721 -9.815 1.00 0.00 C ATOM 649 CD GLU A 132 -1.589 14.337 -11.178 1.00 0.00 C ATOM 650 OE1 GLU A 132 -1.985 15.524 -11.222 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.461 13.643 -12.210 1.00 0.00 O ATOM 0 H GLU A 132 -0.788 12.304 -7.327 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.025 14.751 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.650 12.282 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.353 13.852 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.619 14.421 -9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.651 12.822 -9.977 1.00 0.00 H new ATOM 658 N LEU A 133 -4.240 12.418 -6.417 1.00 0.00 N ATOM 659 CA LEU A 133 -5.430 12.202 -5.536 1.00 0.00 C ATOM 660 C LEU A 133 -5.271 12.862 -4.126 1.00 0.00 C ATOM 661 O LEU A 133 -6.139 13.632 -3.706 1.00 0.00 O ATOM 662 CB LEU A 133 -5.724 10.666 -5.478 1.00 0.00 C ATOM 663 CG LEU A 133 -6.591 10.093 -4.316 1.00 0.00 C ATOM 664 CD1 LEU A 133 -8.029 10.636 -4.245 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.603 8.558 -4.350 1.00 0.00 C ATOM 0 H LEU A 133 -3.796 11.550 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.296 12.709 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.210 10.391 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.764 10.151 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.104 10.445 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.550 10.177 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.003 11.717 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.554 10.399 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.214 8.181 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.019 8.218 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.585 8.184 -4.245 1.00 0.00 H new ATOM 773 N GLU A 141 4.960 4.870 6.510 1.00 0.00 N ATOM 774 CA GLU A 141 4.197 3.762 5.852 1.00 0.00 C ATOM 775 C GLU A 141 4.677 3.448 4.404 1.00 0.00 C ATOM 776 O GLU A 141 4.935 2.290 4.082 1.00 0.00 O ATOM 777 CB GLU A 141 2.688 4.108 5.787 1.00 0.00 C ATOM 778 CG GLU A 141 1.937 4.074 7.137 1.00 0.00 C ATOM 779 CD GLU A 141 0.472 4.512 7.014 1.00 0.00 C ATOM 780 OE1 GLU A 141 -0.391 3.659 6.708 1.00 0.00 O ATOM 781 OE2 GLU A 141 0.177 5.710 7.222 1.00 0.00 O ATOM 0 HA GLU A 141 4.378 2.881 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.580 5.104 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.203 3.411 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 141 1.976 3.064 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.447 4.724 7.848 1.00 0.00 H new ATOM 788 N LEU A 142 4.815 4.500 3.577 1.00 0.00 N ATOM 789 CA LEU A 142 5.464 4.488 2.233 1.00 0.00 C ATOM 790 C LEU A 142 6.893 3.819 2.158 1.00 0.00 C ATOM 791 O LEU A 142 7.147 2.983 1.278 1.00 0.00 O ATOM 792 CB LEU A 142 5.410 5.985 1.750 1.00 0.00 C ATOM 793 CG LEU A 142 4.788 6.267 0.360 1.00 0.00 C ATOM 794 CD1 LEU A 142 4.398 7.747 0.162 1.00 0.00 C ATOM 795 CD2 LEU A 142 5.705 5.855 -0.791 1.00 0.00 C ATOM 0 H LEU A 142 4.466 5.425 3.828 1.00 0.00 H new ATOM 0 HA LEU A 142 4.925 3.825 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.851 6.557 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.428 6.374 1.748 1.00 0.00 H new ATOM 0 HG LEU A 142 3.886 5.656 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.968 7.880 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.665 8.034 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.285 8.373 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.218 6.076 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.642 6.409 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 142 5.910 4.786 -0.728 1.00 0.00 H new ATOM 807 N GLN A 143 7.796 4.135 3.121 1.00 0.00 N ATOM 808 CA GLN A 143 9.096 3.416 3.308 1.00 0.00 C ATOM 809 C GLN A 143 8.931 1.907 3.676 1.00 0.00 C ATOM 810 O GLN A 143 9.670 1.071 3.147 1.00 0.00 O ATOM 811 CB GLN A 143 10.008 4.122 4.358 1.00 0.00 C ATOM 812 CG GLN A 143 10.745 5.410 3.914 1.00 0.00 C ATOM 813 CD GLN A 143 11.794 5.254 2.790 1.00 0.00 C ATOM 814 OE1 GLN A 143 12.206 4.160 2.403 1.00 0.00 O ATOM 815 NE2 GLN A 143 12.264 6.368 2.251 1.00 0.00 N ATOM 0 H GLN A 143 7.651 4.891 3.790 1.00 0.00 H new ATOM 0 HA GLN A 143 9.580 3.457 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.395 4.367 5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.757 3.403 4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 143 9.999 6.134 3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 143 11.241 5.837 4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 143 11.922 7.274 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.968 6.321 1.514 1.00 0.00 H new ATOM 824 N GLU A 144 7.956 1.570 4.548 1.00 0.00 N ATOM 825 CA GLU A 144 7.526 0.167 4.792 1.00 0.00 C ATOM 826 C GLU A 144 7.059 -0.599 3.531 1.00 0.00 C ATOM 827 O GLU A 144 7.447 -1.757 3.394 1.00 0.00 O ATOM 828 CB GLU A 144 6.382 0.112 5.842 1.00 0.00 C ATOM 829 CG GLU A 144 6.793 0.215 7.323 1.00 0.00 C ATOM 830 CD GLU A 144 7.497 -1.040 7.855 1.00 0.00 C ATOM 831 OE1 GLU A 144 6.807 -2.033 8.176 1.00 0.00 O ATOM 832 OE2 GLU A 144 8.745 -1.038 7.952 1.00 0.00 O ATOM 0 H GLU A 144 7.444 2.256 5.103 1.00 0.00 H new ATOM 0 HA GLU A 144 8.426 -0.329 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 144 5.684 0.921 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 144 5.839 -0.823 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 144 7.454 1.073 7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 144 5.905 0.406 7.925 1.00 0.00 H new ATOM 839 N MET A 145 6.291 0.029 2.615 1.00 0.00 N ATOM 840 CA MET A 145 5.977 -0.550 1.277 1.00 0.00 C ATOM 841 C MET A 145 7.248 -0.966 0.482 1.00 0.00 C ATOM 842 O MET A 145 7.429 -2.153 0.193 1.00 0.00 O ATOM 843 CB MET A 145 5.120 0.419 0.403 1.00 0.00 C ATOM 844 CG MET A 145 3.858 1.027 1.013 1.00 0.00 C ATOM 845 SD MET A 145 3.200 2.255 -0.134 1.00 0.00 S ATOM 846 CE MET A 145 2.075 3.157 0.948 1.00 0.00 C ATOM 0 H MET A 145 5.871 0.945 2.773 1.00 0.00 H new ATOM 0 HA MET A 145 5.397 -1.449 1.487 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.765 1.240 0.088 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.826 -0.119 -0.498 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.117 0.250 1.202 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.087 1.490 1.973 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.602 3.964 0.389 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.309 2.478 1.324 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.633 3.575 1.786 1.00 0.00 H new ATOM 856 N ILE A 146 8.136 -0.001 0.181 1.00 0.00 N ATOM 857 CA ILE A 146 9.337 -0.267 -0.672 1.00 0.00 C ATOM 858 C ILE A 146 10.400 -1.258 -0.076 1.00 0.00 C ATOM 859 O ILE A 146 11.022 -2.024 -0.816 1.00 0.00 O ATOM 860 CB ILE A 146 9.918 1.096 -1.182 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.631 0.939 -2.551 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.849 1.826 -0.179 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.747 0.561 -3.754 1.00 0.00 C ATOM 0 H ILE A 146 8.058 0.963 0.505 1.00 0.00 H new ATOM 0 HA ILE A 146 8.998 -0.842 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 146 9.041 1.733 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 146 11.135 1.878 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 146 11.405 0.179 -2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.201 2.758 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.298 2.044 0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.703 1.190 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 146 10.364 0.482 -4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 146 9.262 -0.396 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.988 1.329 -3.903 1.00 0.00 H new ATOM 875 N ASP A 147 10.546 -1.242 1.257 1.00 0.00 N ATOM 876 CA ASP A 147 11.312 -2.275 2.021 1.00 0.00 C ATOM 877 C ASP A 147 10.668 -3.702 1.959 1.00 0.00 C ATOM 878 O ASP A 147 11.406 -4.677 1.798 1.00 0.00 O ATOM 879 CB ASP A 147 11.561 -1.830 3.490 1.00 0.00 C ATOM 880 CG ASP A 147 12.600 -2.660 4.259 1.00 0.00 C ATOM 881 OD1 ASP A 147 13.816 -2.397 4.115 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.205 -3.581 5.007 1.00 0.00 O ATOM 0 H ASP A 147 10.141 -0.517 1.850 1.00 0.00 H new ATOM 0 HA ASP A 147 12.277 -2.359 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 147 11.882 -0.788 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 147 10.615 -1.871 4.030 1.00 0.00 H new ATOM 887 N GLU A 148 9.327 -3.825 2.080 1.00 0.00 N ATOM 888 CA GLU A 148 8.590 -5.097 1.943 1.00 0.00 C ATOM 889 C GLU A 148 8.755 -5.826 0.579 1.00 0.00 C ATOM 890 O GLU A 148 9.188 -6.982 0.567 1.00 0.00 O ATOM 891 CB GLU A 148 7.098 -4.768 2.224 1.00 0.00 C ATOM 892 CG GLU A 148 6.536 -5.273 3.569 1.00 0.00 C ATOM 893 CD GLU A 148 6.992 -4.494 4.815 1.00 0.00 C ATOM 894 OE1 GLU A 148 8.138 -4.701 5.272 1.00 0.00 O ATOM 895 OE2 GLU A 148 6.206 -3.675 5.340 1.00 0.00 O ATOM 0 H GLU A 148 8.719 -3.030 2.279 1.00 0.00 H new ATOM 0 HA GLU A 148 9.009 -5.809 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 148 6.971 -3.686 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.496 -5.190 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 148 5.447 -5.242 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 148 6.821 -6.318 3.692 1.00 0.00 H new ATOM 902 N ALA A 149 8.404 -5.164 -0.545 1.00 0.00 N ATOM 903 CA ALA A 149 8.565 -5.765 -1.902 1.00 0.00 C ATOM 904 C ALA A 149 10.031 -5.980 -2.376 1.00 0.00 C ATOM 905 O ALA A 149 10.311 -7.025 -2.972 1.00 0.00 O ATOM 906 CB ALA A 149 7.781 -4.950 -2.944 1.00 0.00 C ATOM 0 H ALA A 149 8.011 -4.223 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 149 8.154 -6.770 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 149 7.908 -5.400 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 149 6.723 -4.945 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.155 -3.926 -2.962 1.00 0.00 H new ATOM 1001 N VAL A 157 11.057 -1.770 -8.662 1.00 0.00 N ATOM 1002 CA VAL A 157 9.847 -2.640 -8.564 1.00 0.00 C ATOM 1003 C VAL A 157 9.264 -2.967 -9.974 1.00 0.00 C ATOM 1004 O VAL A 157 9.605 -2.342 -10.984 1.00 0.00 O ATOM 1005 CB VAL A 157 8.853 -1.910 -7.580 1.00 0.00 C ATOM 1006 CG1 VAL A 157 7.351 -1.838 -7.950 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.974 -2.459 -6.150 1.00 0.00 C ATOM 0 HA VAL A 157 10.075 -3.625 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 157 9.200 -0.881 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.809 -1.304 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.234 -1.312 -8.897 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.951 -2.847 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.275 -1.934 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.742 -3.524 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.991 -2.309 -5.788 1.00 0.00 H new ATOM 1017 N SER A 158 8.418 -4.016 -9.992 1.00 0.00 N ATOM 1018 CA SER A 158 7.902 -4.669 -11.218 1.00 0.00 C ATOM 1019 C SER A 158 6.343 -4.682 -11.240 1.00 0.00 C ATOM 1020 O SER A 158 5.667 -4.357 -10.258 1.00 0.00 O ATOM 1021 CB SER A 158 8.519 -6.090 -11.338 1.00 0.00 C ATOM 1022 OG SER A 158 9.939 -6.038 -11.456 1.00 0.00 O ATOM 0 H SER A 158 8.065 -4.445 -9.137 1.00 0.00 H new ATOM 0 HA SER A 158 8.205 -4.095 -12.094 1.00 0.00 H new ATOM 0 HB2 SER A 158 8.248 -6.680 -10.463 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.100 -6.597 -12.207 1.00 0.00 H new ATOM 0 HG SER A 158 10.295 -6.948 -11.528 1.00 0.00 H new ATOM 1028 N GLU A 159 5.792 -5.055 -12.414 1.00 0.00 N ATOM 1029 CA GLU A 159 4.314 -5.186 -12.683 1.00 0.00 C ATOM 1030 C GLU A 159 3.448 -5.879 -11.586 1.00 0.00 C ATOM 1031 O GLU A 159 2.386 -5.374 -11.204 1.00 0.00 O ATOM 1032 CB GLU A 159 4.020 -5.822 -14.073 1.00 0.00 C ATOM 1033 CG GLU A 159 4.740 -7.111 -14.541 1.00 0.00 C ATOM 1034 CD GLU A 159 4.208 -7.612 -15.891 1.00 0.00 C ATOM 1035 OE1 GLU A 159 4.738 -7.194 -16.944 1.00 0.00 O ATOM 1036 OE2 GLU A 159 3.258 -8.427 -15.902 1.00 0.00 O ATOM 0 H GLU A 159 6.361 -5.282 -13.230 1.00 0.00 H new ATOM 0 HA GLU A 159 3.993 -4.144 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.950 -6.026 -14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.223 -5.056 -14.821 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.810 -6.919 -14.622 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.612 -7.890 -13.790 1.00 0.00 H new ATOM 1043 N GLN A 160 3.983 -6.986 -11.058 1.00 0.00 N ATOM 1044 CA GLN A 160 3.463 -7.709 -9.868 1.00 0.00 C ATOM 1045 C GLN A 160 3.136 -6.889 -8.582 1.00 0.00 C ATOM 1046 O GLN A 160 2.310 -7.369 -7.805 1.00 0.00 O ATOM 1047 CB GLN A 160 4.471 -8.830 -9.492 1.00 0.00 C ATOM 1048 CG GLN A 160 4.603 -9.983 -10.518 1.00 0.00 C ATOM 1049 CD GLN A 160 5.516 -11.128 -10.053 1.00 0.00 C ATOM 1050 OE1 GLN A 160 5.057 -12.137 -9.520 1.00 0.00 O ATOM 1051 NE2 GLN A 160 6.820 -11.010 -10.260 1.00 0.00 N ATOM 0 H GLN A 160 4.815 -7.425 -11.451 1.00 0.00 H new ATOM 0 HA GLN A 160 2.488 -8.068 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.453 -8.379 -9.351 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.175 -9.254 -8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.612 -10.384 -10.728 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.989 -9.581 -11.454 1.00 0.00 H new ATOM 0 HE21 GLN A 160 7.192 -10.170 -10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 160 7.451 -11.759 -9.977 1.00 0.00 H new ATOM 1060 N GLU A 161 3.718 -5.701 -8.328 1.00 0.00 N ATOM 1061 CA GLU A 161 3.416 -4.928 -7.097 1.00 0.00 C ATOM 1062 C GLU A 161 2.101 -4.117 -7.142 1.00 0.00 C ATOM 1063 O GLU A 161 1.215 -4.425 -6.337 1.00 0.00 O ATOM 1064 CB GLU A 161 4.636 -4.074 -6.714 1.00 0.00 C ATOM 1065 CG GLU A 161 5.807 -4.851 -6.076 1.00 0.00 C ATOM 1066 CD GLU A 161 6.552 -5.910 -6.899 1.00 0.00 C ATOM 1067 OE1 GLU A 161 7.542 -5.567 -7.578 1.00 0.00 O ATOM 1068 OE2 GLU A 161 6.163 -7.098 -6.849 1.00 0.00 O ATOM 0 H GLU A 161 4.394 -5.255 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 161 3.226 -5.654 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 161 5.001 -3.568 -7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.313 -3.299 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.543 -4.118 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 161 5.423 -5.343 -5.182 1.00 0.00 H new ATOM 1075 N PHE A 162 1.917 -3.137 -8.056 1.00 0.00 N ATOM 1076 CA PHE A 162 0.564 -2.476 -8.206 1.00 0.00 C ATOM 1077 C PHE A 162 -0.505 -3.503 -8.689 1.00 0.00 C ATOM 1078 O PHE A 162 -1.541 -3.620 -8.025 1.00 0.00 O ATOM 1079 CB PHE A 162 0.599 -1.157 -9.043 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.596 -0.139 -9.130 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -1.850 -0.316 -8.503 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.463 0.965 -10.000 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -2.962 0.411 -8.912 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.573 1.696 -10.385 1.00 0.00 C ATOM 1085 CZ PHE A 162 -2.824 1.380 -9.891 1.00 0.00 C ATOM 0 H PHE A 162 2.641 -2.786 -8.683 1.00 0.00 H new ATOM 0 HA PHE A 162 0.257 -2.142 -7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.456 -0.590 -8.681 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.822 -1.453 -10.068 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -1.946 -1.026 -7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.514 1.241 -10.368 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -3.928 0.221 -8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.461 2.519 -11.076 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.697 1.891 -10.270 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.234 -4.299 -9.750 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.224 -5.300 -10.247 1.00 0.00 C ATOM 1097 C LEU A 163 -1.442 -6.526 -9.315 1.00 0.00 C ATOM 1098 O LEU A 163 -2.595 -6.886 -9.062 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.893 -5.810 -11.678 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.019 -4.850 -12.891 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.093 -3.623 -12.869 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.771 -5.640 -14.188 1.00 0.00 C ATOM 0 H LEU A 163 0.641 -4.274 -10.273 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.156 -4.735 -10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.132 -6.179 -11.662 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.537 -6.667 -11.874 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.031 -4.450 -12.835 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.264 -3.022 -13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -0.303 -3.024 -11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.946 -3.952 -12.847 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.858 -4.971 -15.044 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.230 -6.072 -14.165 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -1.509 -6.438 -14.275 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.363 -7.177 -8.850 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.460 -8.388 -8.003 1.00 0.00 C ATOM 1116 C ARG A 164 -0.844 -8.160 -6.526 1.00 0.00 C ATOM 1117 O ARG A 164 -1.553 -9.014 -5.984 1.00 0.00 O ATOM 1118 CB ARG A 164 0.902 -9.074 -8.081 1.00 0.00 C ATOM 1119 CG ARG A 164 0.850 -10.519 -7.562 1.00 0.00 C ATOM 1120 CD ARG A 164 2.224 -11.207 -7.644 1.00 0.00 C ATOM 1121 NE ARG A 164 2.164 -12.633 -7.227 1.00 0.00 N ATOM 1122 CZ ARG A 164 3.192 -13.326 -6.698 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.399 -12.815 -6.466 1.00 0.00 N ATOM 1124 NH2 ARG A 164 2.989 -14.593 -6.387 1.00 0.00 N ATOM 0 H ARG A 164 0.595 -6.886 -9.046 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.283 -8.988 -8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.250 -9.072 -9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.628 -8.506 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.504 -10.521 -6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.124 -11.088 -8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.599 -11.144 -8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 164 2.933 -10.675 -7.011 1.00 0.00 H new ATOM 0 HE ARG A 164 1.278 -13.124 -7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.592 -11.839 -6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.131 -13.399 -6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 164 2.076 -15.018 -6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 164 3.745 -15.147 -5.985 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.417 -7.050 -5.873 1.00 0.00 N ATOM 1139 CA ILE A 165 -0.931 -6.705 -4.514 1.00 0.00 C ATOM 1140 C ILE A 165 -2.425 -6.186 -4.620 1.00 0.00 C ATOM 1141 O ILE A 165 -3.207 -6.556 -3.738 1.00 0.00 O ATOM 1142 CB ILE A 165 0.033 -5.778 -3.664 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.595 -6.042 -3.592 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.475 -5.714 -2.200 1.00 0.00 C ATOM 1145 CD1 ILE A 165 2.233 -7.347 -4.077 1.00 0.00 C ATOM 0 H ILE A 165 0.264 -6.391 -6.249 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.944 -7.620 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.030 -4.861 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 165 2.073 -5.236 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.883 -5.923 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.186 -5.077 -1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.484 -5.303 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.485 -6.717 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.312 -7.301 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.824 -8.184 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 165 2.017 -7.486 -5.136 1.00 0.00 H new ATOM 1157 N MET A 166 -2.867 -5.423 -5.666 1.00 0.00 N ATOM 1158 CA MET A 166 -4.320 -5.148 -5.911 1.00 0.00 C ATOM 1159 C MET A 166 -5.217 -6.426 -6.076 1.00 0.00 C ATOM 1160 O MET A 166 -6.291 -6.476 -5.469 1.00 0.00 O ATOM 1161 CB MET A 166 -4.457 -4.176 -7.118 1.00 0.00 C ATOM 1162 CG MET A 166 -5.876 -3.655 -7.412 1.00 0.00 C ATOM 1163 SD MET A 166 -6.806 -4.888 -8.356 1.00 0.00 S ATOM 1164 CE MET A 166 -8.510 -4.445 -7.972 1.00 0.00 C ATOM 0 H MET A 166 -2.244 -4.991 -6.348 1.00 0.00 H new ATOM 0 HA MET A 166 -4.710 -4.679 -5.008 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.806 -3.319 -6.944 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.086 -4.682 -8.009 1.00 0.00 H new ATOM 0 HG2 MET A 166 -6.392 -3.435 -6.478 1.00 0.00 H new ATOM 0 HG3 MET A 166 -5.821 -2.722 -7.973 1.00 0.00 H new ATOM 0 HE1 MET A 166 -9.180 -5.223 -8.339 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.626 -4.346 -6.893 1.00 0.00 H new ATOM 0 HE3 MET A 166 -8.757 -3.498 -8.452 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.789 -7.431 -6.872 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.547 -8.691 -7.077 1.00 0.00 C ATOM 1176 C LYS A 167 -5.721 -9.566 -5.812 1.00 0.00 C ATOM 1177 O LYS A 167 -6.855 -9.782 -5.374 1.00 0.00 O ATOM 1178 CB LYS A 167 -4.814 -9.482 -8.165 1.00 0.00 C ATOM 1179 CG LYS A 167 -5.666 -10.652 -8.684 1.00 0.00 C ATOM 1180 CD LYS A 167 -4.993 -11.428 -9.835 1.00 0.00 C ATOM 1181 CE LYS A 167 -5.860 -12.584 -10.368 1.00 0.00 C ATOM 1182 NZ LYS A 167 -5.191 -13.301 -11.469 1.00 0.00 N ATOM 0 H LYS A 167 -3.911 -7.394 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.564 -8.421 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.564 -8.818 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -3.874 -9.864 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -5.869 -11.338 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -6.628 -10.270 -9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -4.774 -10.739 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -4.039 -11.826 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -6.077 -13.281 -9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -6.816 -12.192 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -5.803 -14.072 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -5.007 -12.641 -12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -4.291 -13.696 -11.130 1.00 0.00 H new ATOM 1301 N TRP B 2 1.151 -1.796 0.688 1.00 0.00 N ATOM 1302 CA TRP B 2 0.856 -1.716 -0.775 1.00 0.00 C ATOM 1303 C TRP B 2 -0.639 -1.912 -1.179 1.00 0.00 C ATOM 1304 O TRP B 2 -0.977 -1.504 -2.286 1.00 0.00 O ATOM 1305 CB TRP B 2 1.685 -2.736 -1.576 1.00 0.00 C ATOM 1306 CG TRP B 2 3.144 -2.406 -1.822 1.00 0.00 C ATOM 1307 CD1 TRP B 2 4.193 -3.046 -1.154 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.730 -1.693 -2.860 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.417 -2.774 -1.756 1.00 0.00 N ATOM 1310 CE2 TRP B 2 5.127 -1.904 -2.788 1.00 0.00 C ATOM 1311 CE3 TRP B 2 3.178 -0.916 -3.912 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.995 -1.303 -3.738 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 4.052 -0.355 -4.848 1.00 0.00 C ATOM 1314 CH2 TRP B 2 5.434 -0.549 -4.769 1.00 0.00 C ATOM 0 HA TRP B 2 1.127 -0.689 -1.019 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.639 -3.692 -1.055 1.00 0.00 H new ATOM 0 HB3 TRP B 2 1.203 -2.877 -2.544 1.00 0.00 H new ATOM 0 HD1 TRP B 2 4.069 -3.671 -0.282 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.332 -3.139 -1.492 1.00 0.00 H new ATOM 0 HE3 TRP B 2 2.112 -0.762 -3.987 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 7.065 -1.427 -3.664 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.649 0.243 -5.652 1.00 0.00 H new ATOM 0 HH2 TRP B 2 6.077 -0.109 -5.517 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.510 -2.544 -0.362 1.00 0.00 N ATOM 1326 CA LYS B 3 -2.982 -2.543 -0.591 1.00 0.00 C ATOM 1327 C LYS B 3 -3.634 -1.133 -0.392 1.00 0.00 C ATOM 1328 O LYS B 3 -4.481 -0.730 -1.195 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.581 -3.527 0.419 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.090 -3.741 0.203 1.00 0.00 C ATOM 1331 CD LYS B 3 -5.800 -4.520 1.331 1.00 0.00 C ATOM 1332 CE LYS B 3 -5.459 -6.022 1.418 1.00 0.00 C ATOM 1333 NZ LYS B 3 -6.119 -6.642 2.578 1.00 0.00 N ATOM 0 H LYS B 3 -1.223 -3.065 0.467 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.181 -2.826 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.066 -4.484 0.340 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.410 -3.156 1.430 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.569 -2.768 0.095 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.237 -4.274 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -5.551 -4.053 2.284 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -6.877 -4.417 1.198 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -5.774 -6.524 0.503 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -4.379 -6.150 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -5.876 -7.652 2.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -5.799 -6.175 3.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.150 -6.537 2.488 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.227 -0.379 0.661 1.00 0.00 N ATOM 1348 CA LEU B 4 -3.579 1.069 0.819 1.00 0.00 C ATOM 1349 C LEU B 4 -3.111 1.961 -0.385 1.00 0.00 C ATOM 1350 O LEU B 4 -3.903 2.760 -0.894 1.00 0.00 O ATOM 1351 CB LEU B 4 -3.020 1.635 2.159 1.00 0.00 C ATOM 1352 CG LEU B 4 -3.507 0.990 3.489 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -2.675 1.511 4.679 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -5.010 1.217 3.753 1.00 0.00 C ATOM 0 H LEU B 4 -2.652 -0.745 1.420 1.00 0.00 H new ATOM 0 HA LEU B 4 -4.668 1.112 0.834 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -1.934 1.553 2.128 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -3.259 2.698 2.197 1.00 0.00 H new ATOM 0 HG LEU B 4 -3.361 -0.085 3.384 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -3.029 1.049 5.601 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -1.625 1.259 4.527 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -2.781 2.593 4.751 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -5.290 0.744 4.694 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -5.212 2.287 3.810 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -5.592 0.781 2.941 1.00 0.00 H new ATOM 1366 N LEU B 5 -1.854 1.786 -0.854 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.353 2.377 -2.127 1.00 0.00 C ATOM 1368 C LEU B 5 -2.054 1.813 -3.409 1.00 0.00 C ATOM 1369 O LEU B 5 -2.195 2.558 -4.375 1.00 0.00 O ATOM 1370 CB LEU B 5 0.195 2.199 -2.201 1.00 0.00 C ATOM 1371 CG LEU B 5 1.047 3.147 -3.101 1.00 0.00 C ATOM 1372 CD1 LEU B 5 0.984 2.861 -4.616 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.828 4.645 -2.811 1.00 0.00 C ATOM 0 H LEU B 5 -1.153 1.231 -0.363 1.00 0.00 H new ATOM 0 HA LEU B 5 -1.607 3.437 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.580 2.284 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.389 1.178 -2.531 1.00 0.00 H new ATOM 0 HG LEU B 5 2.064 2.897 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU B 5 1.611 3.577 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.342 1.850 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -0.046 2.954 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.454 5.240 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -0.219 4.898 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU B 5 1.094 4.858 -1.776 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.521 0.542 -3.429 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.370 -0.022 -4.505 1.00 0.00 C ATOM 1387 C ALA B 6 -4.714 0.723 -4.698 1.00 0.00 C ATOM 1388 O ALA B 6 -5.070 0.918 -5.851 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.593 -1.530 -4.316 1.00 0.00 C ATOM 0 H ALA B 6 -2.316 -0.129 -2.689 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.810 0.131 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -4.220 -1.909 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.632 -2.045 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -4.086 -1.708 -3.360 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.437 1.141 -3.633 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.576 2.104 -3.748 1.00 0.00 C ATOM 1397 C LYS B 7 -6.152 3.517 -4.288 1.00 0.00 C ATOM 1398 O LYS B 7 -6.635 4.031 -5.323 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.114 2.259 -2.321 1.00 0.00 C ATOM 1400 CG LYS B 7 -8.400 3.100 -2.247 1.00 0.00 C ATOM 1401 CD LYS B 7 -8.888 3.312 -0.798 1.00 0.00 C ATOM 1402 CE LYS B 7 -10.152 4.188 -0.701 1.00 0.00 C ATOM 1403 NZ LYS B 7 -10.575 4.371 0.699 1.00 0.00 N ATOM 0 H LYS B 7 -5.257 0.830 -2.678 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.306 1.721 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -7.309 1.271 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.348 2.722 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -8.223 4.070 -2.712 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.185 2.609 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -9.092 2.342 -0.345 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -8.089 3.774 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -9.958 5.160 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -10.960 3.727 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -11.428 4.965 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -10.783 3.444 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -9.812 4.833 1.234 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.172 4.071 -3.534 1.00 0.00 N ATOM 1418 CA GLY B 8 -4.413 5.289 -3.888 1.00 0.00 C ATOM 1419 C GLY B 8 -4.072 5.511 -5.369 1.00 0.00 C ATOM 1420 O GLY B 8 -4.397 6.585 -5.881 1.00 0.00 O ATOM 0 H GLY B 8 -4.882 3.671 -2.641 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.982 6.152 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.479 5.277 -3.327 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.442 4.516 -6.038 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.310 4.550 -7.518 1.00 0.00 C ATOM 1426 C LEU B 9 -4.401 3.752 -8.328 1.00 0.00 C ATOM 1427 O LEU B 9 -4.465 3.903 -9.549 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.852 4.339 -7.974 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.568 5.060 -9.336 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -1.670 6.599 -9.369 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -0.107 4.879 -9.744 1.00 0.00 C ATOM 0 H LEU B 9 -3.026 3.698 -5.592 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.562 5.571 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.172 4.719 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.652 3.272 -8.077 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.335 4.607 -9.964 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.448 6.957 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -2.679 6.903 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.955 7.026 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU B 9 0.072 5.386 -10.692 1.00 0.00 H new ATOM 0 HD22 LEU B 9 0.540 5.305 -8.977 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.111 3.817 -9.854 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.323 2.989 -7.711 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.599 2.491 -8.373 1.00 0.00 C ATOM 1445 C LEU B 10 -7.445 3.665 -8.991 1.00 0.00 C ATOM 1446 O LEU B 10 -8.256 3.413 -9.885 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.527 1.597 -7.499 1.00 0.00 C ATOM 1448 CG LEU B 10 -7.413 0.063 -7.723 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -8.116 -0.695 -6.577 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -7.987 -0.387 -9.084 1.00 0.00 C ATOM 0 H LEU B 10 -5.228 2.687 -6.741 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.215 1.841 -9.159 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -7.316 1.807 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -8.560 1.894 -7.682 1.00 0.00 H new ATOM 0 HG LEU B 10 -6.350 -0.178 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -8.030 -1.769 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.646 -0.437 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -9.169 -0.416 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -7.880 -1.467 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -9.042 -0.120 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -7.444 0.108 -9.889 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.193 4.921 -8.538 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.542 6.193 -9.273 1.00 0.00 C ATOM 1464 C ILE B 11 -7.373 6.217 -10.861 1.00 0.00 C ATOM 1465 O ILE B 11 -7.769 7.199 -11.495 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.545 7.285 -8.680 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -6.947 8.770 -8.918 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.048 7.103 -9.132 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.290 9.193 -8.302 1.00 0.00 C ATOM 0 H ILE B 11 -6.737 5.094 -7.642 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.610 6.350 -9.123 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.633 7.084 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.163 9.411 -8.514 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -6.985 8.951 -9.992 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.435 7.886 -8.685 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.685 6.128 -8.806 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.985 7.169 -10.218 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.477 10.244 -8.524 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.091 8.585 -8.722 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.256 9.051 -7.222 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.672 5.208 -11.437 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.193 5.118 -12.849 1.00 0.00 C ATOM 1483 C ARG B 12 -7.021 5.756 -13.997 1.00 0.00 C ATOM 1484 O ARG B 12 -6.458 6.434 -14.860 1.00 0.00 O ATOM 1485 CB ARG B 12 -6.016 3.613 -13.132 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.291 2.738 -13.072 1.00 0.00 C ATOM 1487 CD ARG B 12 -6.991 1.220 -13.125 1.00 0.00 C ATOM 1488 NE ARG B 12 -8.183 0.335 -12.990 1.00 0.00 N ATOM 1489 CZ ARG B 12 -9.004 -0.015 -14.000 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -8.882 0.428 -15.250 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -9.996 -0.843 -13.730 1.00 0.00 N ATOM 0 H ARG B 12 -6.407 4.383 -10.899 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.293 5.733 -12.876 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.575 3.503 -14.123 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.297 3.215 -12.416 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -7.835 2.963 -12.155 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -7.945 3.002 -13.903 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -6.497 0.996 -14.070 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -6.285 0.977 -12.331 1.00 0.00 H new ATOM 0 HE ARG B 12 -8.393 -0.034 -12.063 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -8.130 1.074 -15.491 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -9.540 0.121 -15.966 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -10.122 -1.196 -12.781 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -10.637 -1.129 -14.470 1.00 0.00 H new