USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 94 SER OG : rot -89:sc= 1.24 USER MOD Set 1.2: B 100 HIS : no HD1:sc= -1.6! K(o=-0.35!,f=1.7) USER MOD Set 2.1: B 49 GLN : amide:sc= -0.912! C(o=-0.4!,f=-6.8!) USER MOD Set 2.2: B 53 HIS : no HD1:sc= 0.514 K(o=-0.4,f=-10!) USER MOD Set 3.1: B 24 ASN : amide:sc= -0.226 X(o=-3.1,f=-3) USER MOD Set 3.2: B 30 GLN : amide:sc= -2.85! C(o=-3.1!,f=-3!) USER MOD Set 4.1: B 21 TYR OH : rot 37:sc= 1.26 USER MOD Set 4.2: B 25 LYS NZ :NH3+ 176:sc= 0.143 (180deg=0.136) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 16 HIS : no HE2:sc= -0.102 K(o=-0.1,f=-5.5!) USER MOD Single : B 39 HIS : no HD1:sc= -1.31 K(o=-1.3,f=0.35) USER MOD Single : B 41 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.28) USER MOD Single : B 42 THR OG1 : rot -152:sc= 1.26 USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0637) USER MOD Single : B 52 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.0042) USER MOD Single : B 56 GLN : amide:sc= -3.3! C(o=-3.3!,f=-2.4!) USER MOD Single : B 57 MET CE :methyl 158:sc= -1.17 (180deg=-1.64!) USER MOD Single : B 62 SER OG : rot 106:sc= 1.14 USER MOD Single : B 64 LYS NZ :NH3+ -124:sc= -0.296 (180deg=-1.7!) USER MOD Single : B 77 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.39) USER MOD Single : B 85 GLN : amide:sc= -2.53 K(o=-2.5,f=-0.11) USER MOD Single : B 102 MET CE :methyl 156:sc= -0.836 (180deg=-2.4) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 104 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.11) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -160:sc= 1.33 (180deg=1.11) USER MOD Single : B 110 SER OG : rot 180:sc= -0.0554 USER MOD Single : B 117 LYS NZ :NH3+ -158:sc= 0.923 (180deg=0.499) USER MOD Single : B 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N TRP B 9 -20.517 9.068 5.644 1.00 0.00 N ATOM 127 CA TRP B 9 -20.879 7.852 6.349 1.00 0.00 C ATOM 128 C TRP B 9 -20.920 8.097 7.853 1.00 0.00 C ATOM 129 O TRP B 9 -20.449 9.123 8.344 1.00 0.00 O ATOM 130 CB TRP B 9 -19.888 6.728 6.028 1.00 0.00 C ATOM 131 CG TRP B 9 -19.926 6.256 4.601 1.00 0.00 C ATOM 132 CD1 TRP B 9 -19.623 6.979 3.482 1.00 0.00 C ATOM 133 CD2 TRP B 9 -20.269 4.942 4.143 1.00 0.00 C ATOM 134 NE1 TRP B 9 -19.760 6.197 2.359 1.00 0.00 N ATOM 135 CE2 TRP B 9 -20.154 4.942 2.740 1.00 0.00 C ATOM 136 CE3 TRP B 9 -20.662 3.764 4.784 1.00 0.00 C ATOM 137 CZ2 TRP B 9 -20.416 3.812 1.969 1.00 0.00 C ATOM 138 CZ3 TRP B 9 -20.924 2.644 4.017 1.00 0.00 C ATOM 139 CH2 TRP B 9 -20.799 2.676 2.621 1.00 0.00 C ATOM 0 HA TRP B 9 -21.872 7.549 6.016 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -18.880 7.073 6.257 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -20.092 5.882 6.684 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -19.320 8.015 3.480 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -19.595 6.502 1.400 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -20.759 3.729 5.859 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.319 3.834 0.894 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -21.230 1.729 4.502 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -21.010 1.784 2.050 1.00 0.00 H new ATOM 150 N SER B 10 -21.502 7.158 8.574 1.00 0.00 N ATOM 151 CA SER B 10 -21.582 7.236 10.021 1.00 0.00 C ATOM 152 C SER B 10 -21.235 5.878 10.619 1.00 0.00 C ATOM 153 O SER B 10 -21.414 4.860 9.951 1.00 0.00 O ATOM 154 CB SER B 10 -22.987 7.680 10.440 1.00 0.00 C ATOM 155 OG SER B 10 -23.309 8.934 9.858 1.00 0.00 O ATOM 0 H SER B 10 -21.931 6.323 8.176 1.00 0.00 H new ATOM 0 HA SER B 10 -20.869 7.972 10.393 1.00 0.00 H new ATOM 0 HB2 SER B 10 -23.718 6.932 10.132 1.00 0.00 H new ATOM 0 HB3 SER B 10 -23.043 7.752 11.526 1.00 0.00 H new ATOM 0 HG SER B 10 -24.210 9.201 10.135 1.00 0.00 H new ATOM 161 N PRO B 11 -20.727 5.849 11.870 1.00 0.00 N ATOM 162 CA PRO B 11 -20.252 4.621 12.529 1.00 0.00 C ATOM 163 C PRO B 11 -21.147 3.403 12.291 1.00 0.00 C ATOM 164 O PRO B 11 -20.655 2.316 11.996 1.00 0.00 O ATOM 165 CB PRO B 11 -20.254 5.010 14.006 1.00 0.00 C ATOM 166 CG PRO B 11 -19.938 6.466 14.001 1.00 0.00 C ATOM 167 CD PRO B 11 -20.559 7.030 12.748 1.00 0.00 C ATOM 0 HA PRO B 11 -19.282 4.309 12.141 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -21.222 4.814 14.468 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -19.512 4.443 14.568 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -20.341 6.954 14.888 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -18.860 6.630 14.009 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -21.514 7.511 12.957 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -19.918 7.782 12.288 1.00 0.00 H new ATOM 175 N GLU B 12 -22.456 3.597 12.408 1.00 0.00 N ATOM 176 CA GLU B 12 -23.421 2.518 12.201 1.00 0.00 C ATOM 177 C GLU B 12 -23.279 1.918 10.805 1.00 0.00 C ATOM 178 O GLU B 12 -23.163 0.702 10.643 1.00 0.00 O ATOM 179 CB GLU B 12 -24.861 3.018 12.377 1.00 0.00 C ATOM 180 CG GLU B 12 -25.095 3.872 13.615 1.00 0.00 C ATOM 181 CD GLU B 12 -24.680 5.315 13.413 1.00 0.00 C ATOM 182 OE1 GLU B 12 -25.491 6.103 12.892 1.00 0.00 O ATOM 183 OE2 GLU B 12 -23.538 5.667 13.776 1.00 0.00 O ATOM 0 H GLU B 12 -22.877 4.495 12.646 1.00 0.00 H new ATOM 0 HA GLU B 12 -23.210 1.755 12.950 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -25.140 3.596 11.496 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -25.527 2.156 12.416 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -26.151 3.835 13.883 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -24.539 3.451 14.453 1.00 0.00 H new ATOM 190 N GLU B 13 -23.270 2.784 9.803 1.00 0.00 N ATOM 191 CA GLU B 13 -23.245 2.348 8.416 1.00 0.00 C ATOM 192 C GLU B 13 -21.850 1.861 8.031 1.00 0.00 C ATOM 193 O GLU B 13 -21.704 0.967 7.203 1.00 0.00 O ATOM 194 CB GLU B 13 -23.677 3.489 7.495 1.00 0.00 C ATOM 195 CG GLU B 13 -24.161 3.015 6.133 1.00 0.00 C ATOM 196 CD GLU B 13 -25.418 2.169 6.230 1.00 0.00 C ATOM 197 OE1 GLU B 13 -25.307 0.925 6.262 1.00 0.00 O ATOM 198 OE2 GLU B 13 -26.527 2.747 6.256 1.00 0.00 O ATOM 0 H GLU B 13 -23.280 3.797 9.926 1.00 0.00 H new ATOM 0 HA GLU B 13 -23.944 1.519 8.303 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -24.473 4.055 7.979 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -22.839 4.172 7.357 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -24.356 3.879 5.498 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -23.373 2.437 5.651 1.00 0.00 H new ATOM 205 N GLU B 14 -20.829 2.449 8.639 1.00 0.00 N ATOM 206 CA GLU B 14 -19.453 2.030 8.404 1.00 0.00 C ATOM 207 C GLU B 14 -19.215 0.654 9.029 1.00 0.00 C ATOM 208 O GLU B 14 -18.468 -0.170 8.495 1.00 0.00 O ATOM 209 CB GLU B 14 -18.479 3.063 8.974 1.00 0.00 C ATOM 210 CG GLU B 14 -18.683 4.454 8.395 1.00 0.00 C ATOM 211 CD GLU B 14 -17.749 5.490 8.985 1.00 0.00 C ATOM 212 OE1 GLU B 14 -16.931 6.061 8.225 1.00 0.00 O ATOM 213 OE2 GLU B 14 -17.827 5.741 10.203 1.00 0.00 O ATOM 0 H GLU B 14 -20.927 3.219 9.300 1.00 0.00 H new ATOM 0 HA GLU B 14 -19.280 1.958 7.330 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -18.596 3.105 10.057 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -17.457 2.739 8.776 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -18.537 4.416 7.315 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -19.714 4.764 8.567 1.00 0.00 H new ATOM 220 N ALA B 15 -19.871 0.407 10.159 1.00 0.00 N ATOM 221 CA ALA B 15 -19.847 -0.907 10.791 1.00 0.00 C ATOM 222 C ALA B 15 -20.564 -1.922 9.906 1.00 0.00 C ATOM 223 O ALA B 15 -20.191 -3.087 9.843 1.00 0.00 O ATOM 224 CB ALA B 15 -20.495 -0.842 12.166 1.00 0.00 C ATOM 0 H ALA B 15 -20.427 1.102 10.657 1.00 0.00 H new ATOM 0 HA ALA B 15 -18.811 -1.223 10.916 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -20.470 -1.829 12.627 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -19.950 -0.136 12.792 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -21.530 -0.514 12.065 1.00 0.00 H new ATOM 230 N HIS B 16 -21.587 -1.449 9.221 1.00 0.00 N ATOM 231 CA HIS B 16 -22.336 -2.244 8.265 1.00 0.00 C ATOM 232 C HIS B 16 -21.519 -2.442 6.986 1.00 0.00 C ATOM 233 O HIS B 16 -21.682 -3.432 6.274 1.00 0.00 O ATOM 234 CB HIS B 16 -23.667 -1.556 7.952 1.00 0.00 C ATOM 235 CG HIS B 16 -24.547 -2.320 7.011 1.00 0.00 C ATOM 236 ND1 HIS B 16 -25.377 -1.709 6.103 1.00 0.00 N ATOM 237 CD2 HIS B 16 -24.720 -3.650 6.842 1.00 0.00 C ATOM 238 CE1 HIS B 16 -26.023 -2.632 5.415 1.00 0.00 C ATOM 239 NE2 HIS B 16 -25.642 -3.815 5.846 1.00 0.00 N ATOM 0 H HIS B 16 -21.926 -0.491 9.313 1.00 0.00 H new ATOM 0 HA HIS B 16 -22.540 -3.224 8.696 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -24.207 -1.393 8.885 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -23.464 -0.574 7.525 1.00 0.00 H new ATOM 0 HD1 HIS B 16 -25.478 -0.702 5.980 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -24.223 -4.436 7.391 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -26.742 -2.447 4.631 1.00 0.00 H new ATOM 248 N LEU B 17 -20.635 -1.499 6.705 1.00 0.00 N ATOM 249 CA LEU B 17 -19.755 -1.604 5.552 1.00 0.00 C ATOM 250 C LEU B 17 -18.769 -2.747 5.752 1.00 0.00 C ATOM 251 O LEU B 17 -18.580 -3.579 4.865 1.00 0.00 O ATOM 252 CB LEU B 17 -19.009 -0.290 5.333 1.00 0.00 C ATOM 253 CG LEU B 17 -18.188 -0.217 4.048 1.00 0.00 C ATOM 254 CD1 LEU B 17 -19.073 -0.408 2.829 1.00 0.00 C ATOM 255 CD2 LEU B 17 -17.452 1.106 3.964 1.00 0.00 C ATOM 0 H LEU B 17 -20.507 -0.652 7.259 1.00 0.00 H new ATOM 0 HA LEU B 17 -20.357 -1.811 4.667 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -19.733 0.525 5.330 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -18.344 -0.122 6.180 1.00 0.00 H new ATOM 0 HG LEU B 17 -17.455 -1.024 4.067 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -18.465 -0.352 1.926 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -19.558 -1.383 2.880 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -19.832 0.374 2.805 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -16.872 1.142 3.042 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -18.172 1.924 3.971 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -16.782 1.205 4.818 1.00 0.00 H new ATOM 267 N ARG B 18 -18.165 -2.803 6.934 1.00 0.00 N ATOM 268 CA ARG B 18 -17.273 -3.897 7.271 1.00 0.00 C ATOM 269 C ARG B 18 -18.107 -5.141 7.499 1.00 0.00 C ATOM 270 O ARG B 18 -17.655 -6.253 7.266 1.00 0.00 O ATOM 271 CB ARG B 18 -16.444 -3.585 8.524 1.00 0.00 C ATOM 272 CG ARG B 18 -17.260 -3.547 9.804 1.00 0.00 C ATOM 273 CD ARG B 18 -16.402 -3.320 11.036 1.00 0.00 C ATOM 274 NE ARG B 18 -17.198 -3.434 12.259 1.00 0.00 N ATOM 275 CZ ARG B 18 -16.705 -3.331 13.492 1.00 0.00 C ATOM 276 NH1 ARG B 18 -15.416 -3.080 13.683 1.00 0.00 N ATOM 277 NH2 ARG B 18 -17.508 -3.482 14.539 1.00 0.00 N ATOM 0 H ARG B 18 -18.278 -2.105 7.669 1.00 0.00 H new ATOM 0 HA ARG B 18 -16.574 -4.049 6.449 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -15.660 -4.335 8.626 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -15.949 -2.623 8.391 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -18.004 -2.754 9.733 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.804 -4.486 9.912 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -15.590 -4.047 11.057 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -15.944 -2.332 10.987 1.00 0.00 H new ATOM 0 HE ARG B 18 -18.199 -3.604 12.160 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -14.795 -2.964 12.882 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -15.046 -3.003 14.631 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -18.499 -3.676 14.398 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -17.133 -3.404 15.484 1.00 0.00 H new ATOM 291 N GLU B 19 -19.346 -4.921 7.930 1.00 0.00 N ATOM 292 CA GLU B 19 -20.288 -5.997 8.194 1.00 0.00 C ATOM 293 C GLU B 19 -20.412 -6.904 6.972 1.00 0.00 C ATOM 294 O GLU B 19 -20.258 -8.125 7.057 1.00 0.00 O ATOM 295 CB GLU B 19 -21.657 -5.414 8.546 1.00 0.00 C ATOM 296 CG GLU B 19 -22.697 -6.445 8.928 1.00 0.00 C ATOM 297 CD GLU B 19 -22.442 -7.051 10.292 1.00 0.00 C ATOM 298 OE1 GLU B 19 -22.918 -6.477 11.296 1.00 0.00 O ATOM 299 OE2 GLU B 19 -21.764 -8.097 10.370 1.00 0.00 O ATOM 0 H GLU B 19 -19.723 -3.989 8.105 1.00 0.00 H new ATOM 0 HA GLU B 19 -19.921 -6.586 9.034 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -21.538 -4.713 9.372 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -22.025 -4.843 7.694 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -23.683 -5.981 8.919 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -22.710 -7.237 8.179 1.00 0.00 H new ATOM 306 N LEU B 20 -20.666 -6.281 5.832 1.00 0.00 N ATOM 307 CA LEU B 20 -20.846 -6.999 4.581 1.00 0.00 C ATOM 308 C LEU B 20 -19.511 -7.480 4.023 1.00 0.00 C ATOM 309 O LEU B 20 -19.451 -8.486 3.310 1.00 0.00 O ATOM 310 CB LEU B 20 -21.551 -6.095 3.574 1.00 0.00 C ATOM 311 CG LEU B 20 -22.865 -6.641 3.022 1.00 0.00 C ATOM 312 CD1 LEU B 20 -23.676 -5.526 2.392 1.00 0.00 C ATOM 313 CD2 LEU B 20 -22.596 -7.736 2.005 1.00 0.00 C ATOM 0 H LEU B 20 -20.753 -5.268 5.748 1.00 0.00 H new ATOM 0 HA LEU B 20 -21.460 -7.880 4.770 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -21.746 -5.133 4.047 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -20.874 -5.909 2.740 1.00 0.00 H new ATOM 0 HG LEU B 20 -23.438 -7.065 3.847 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -24.610 -5.931 2.003 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -23.894 -4.766 3.142 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -23.107 -5.078 1.577 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -23.543 -8.116 1.620 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -22.006 -7.332 1.183 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -22.046 -8.548 2.481 1.00 0.00 H new ATOM 325 N TYR B 21 -18.439 -6.772 4.366 1.00 0.00 N ATOM 326 CA TYR B 21 -17.110 -7.138 3.904 1.00 0.00 C ATOM 327 C TYR B 21 -16.647 -8.405 4.598 1.00 0.00 C ATOM 328 O TYR B 21 -16.230 -9.363 3.954 1.00 0.00 O ATOM 329 CB TYR B 21 -16.111 -6.002 4.156 1.00 0.00 C ATOM 330 CG TYR B 21 -14.666 -6.398 3.922 1.00 0.00 C ATOM 331 CD1 TYR B 21 -14.230 -6.824 2.673 1.00 0.00 C ATOM 332 CD2 TYR B 21 -13.746 -6.366 4.961 1.00 0.00 C ATOM 333 CE1 TYR B 21 -12.917 -7.206 2.468 1.00 0.00 C ATOM 334 CE2 TYR B 21 -12.430 -6.739 4.762 1.00 0.00 C ATOM 335 CZ TYR B 21 -12.023 -7.165 3.514 1.00 0.00 C ATOM 336 OH TYR B 21 -10.717 -7.556 3.319 1.00 0.00 O ATOM 0 H TYR B 21 -18.467 -5.944 4.961 1.00 0.00 H new ATOM 0 HA TYR B 21 -17.159 -7.318 2.830 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -16.358 -5.162 3.507 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -16.221 -5.654 5.183 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -14.928 -6.857 1.849 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -14.064 -6.044 5.942 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -12.594 -7.535 1.491 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -11.724 -6.697 5.578 1.00 0.00 H new ATOM 0 HH TYR B 21 -10.421 -7.276 2.428 1.00 0.00 H new ATOM 346 N LEU B 22 -16.755 -8.409 5.917 1.00 0.00 N ATOM 347 CA LEU B 22 -16.317 -9.538 6.723 1.00 0.00 C ATOM 348 C LEU B 22 -17.134 -10.777 6.384 1.00 0.00 C ATOM 349 O LEU B 22 -16.670 -11.905 6.546 1.00 0.00 O ATOM 350 CB LEU B 22 -16.447 -9.203 8.210 1.00 0.00 C ATOM 351 CG LEU B 22 -15.776 -7.895 8.647 1.00 0.00 C ATOM 352 CD1 LEU B 22 -15.930 -7.686 10.146 1.00 0.00 C ATOM 353 CD2 LEU B 22 -14.308 -7.866 8.241 1.00 0.00 C ATOM 0 H LEU B 22 -17.146 -7.636 6.456 1.00 0.00 H new ATOM 0 HA LEU B 22 -15.270 -9.744 6.501 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -17.506 -9.151 8.463 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.021 -10.022 8.789 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.277 -7.073 8.135 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -15.447 -6.753 10.435 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -16.989 -7.640 10.400 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -15.465 -8.515 10.679 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -13.860 -6.927 8.564 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -13.784 -8.699 8.710 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -14.228 -7.952 7.157 1.00 0.00 H new ATOM 365 N ALA B 23 -18.346 -10.550 5.898 1.00 0.00 N ATOM 366 CA ALA B 23 -19.236 -11.628 5.507 1.00 0.00 C ATOM 367 C ALA B 23 -18.741 -12.332 4.245 1.00 0.00 C ATOM 368 O ALA B 23 -18.547 -13.549 4.238 1.00 0.00 O ATOM 369 CB ALA B 23 -20.645 -11.092 5.291 1.00 0.00 C ATOM 0 H ALA B 23 -18.737 -9.617 5.765 1.00 0.00 H new ATOM 0 HA ALA B 23 -19.250 -12.360 6.314 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -21.304 -11.909 4.998 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -21.010 -10.645 6.216 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -20.631 -10.338 4.504 1.00 0.00 H new ATOM 375 N ASN B 24 -18.518 -11.566 3.180 1.00 0.00 N ATOM 376 CA ASN B 24 -18.222 -12.152 1.879 1.00 0.00 C ATOM 377 C ASN B 24 -16.723 -12.232 1.590 1.00 0.00 C ATOM 378 O ASN B 24 -16.327 -12.665 0.510 1.00 0.00 O ATOM 379 CB ASN B 24 -18.917 -11.356 0.774 1.00 0.00 C ATOM 380 CG ASN B 24 -20.425 -11.514 0.797 1.00 0.00 C ATOM 381 OD1 ASN B 24 -20.976 -12.412 0.160 1.00 0.00 O ATOM 382 ND2 ASN B 24 -21.103 -10.636 1.520 1.00 0.00 N ATOM 0 H ASN B 24 -18.537 -10.546 3.193 1.00 0.00 H new ATOM 0 HA ASN B 24 -18.601 -13.174 1.901 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -18.665 -10.301 0.879 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -18.537 -11.680 -0.195 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -22.121 -10.689 1.564 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -20.608 -9.907 2.033 1.00 0.00 H new ATOM 389 N LYS B 25 -15.884 -11.826 2.538 1.00 0.00 N ATOM 390 CA LYS B 25 -14.436 -11.906 2.333 1.00 0.00 C ATOM 391 C LYS B 25 -13.949 -13.345 2.514 1.00 0.00 C ATOM 392 O LYS B 25 -12.824 -13.684 2.150 1.00 0.00 O ATOM 393 CB LYS B 25 -13.674 -10.957 3.270 1.00 0.00 C ATOM 394 CG LYS B 25 -13.767 -11.308 4.749 1.00 0.00 C ATOM 395 CD LYS B 25 -12.981 -10.325 5.615 1.00 0.00 C ATOM 396 CE LYS B 25 -11.498 -10.324 5.259 1.00 0.00 C ATOM 397 NZ LYS B 25 -10.698 -9.424 6.138 1.00 0.00 N ATOM 0 H LYS B 25 -16.171 -11.445 3.440 1.00 0.00 H new ATOM 0 HA LYS B 25 -14.231 -11.590 1.310 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -12.624 -10.948 2.979 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -14.054 -9.945 3.127 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -14.812 -11.309 5.057 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -13.387 -12.317 4.908 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -13.387 -9.322 5.487 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -13.103 -10.587 6.666 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -11.109 -11.339 5.335 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -11.377 -10.013 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -9.690 -9.511 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -11.003 -8.440 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -10.842 -9.692 7.132 1.00 0.00 H new ATOM 411 N ASP B 26 -14.815 -14.182 3.068 1.00 0.00 N ATOM 412 CA ASP B 26 -14.507 -15.593 3.285 1.00 0.00 C ATOM 413 C ASP B 26 -15.003 -16.426 2.100 1.00 0.00 C ATOM 414 O ASP B 26 -14.992 -17.658 2.121 1.00 0.00 O ATOM 415 CB ASP B 26 -15.157 -16.059 4.595 1.00 0.00 C ATOM 416 CG ASP B 26 -14.827 -17.494 4.956 1.00 0.00 C ATOM 417 OD1 ASP B 26 -15.757 -18.335 4.978 1.00 0.00 O ATOM 418 OD2 ASP B 26 -13.645 -17.788 5.227 1.00 0.00 O ATOM 0 H ASP B 26 -15.747 -13.907 3.379 1.00 0.00 H new ATOM 0 HA ASP B 26 -13.428 -15.726 3.363 1.00 0.00 H new ATOM 0 HB2 ASP B 26 -14.833 -15.405 5.405 1.00 0.00 H new ATOM 0 HB3 ASP B 26 -16.239 -15.953 4.513 1.00 0.00 H new ATOM 423 N VAL B 27 -15.414 -15.740 1.043 1.00 0.00 N ATOM 424 CA VAL B 27 -15.972 -16.402 -0.123 1.00 0.00 C ATOM 425 C VAL B 27 -15.000 -16.341 -1.292 1.00 0.00 C ATOM 426 O VAL B 27 -14.791 -15.284 -1.892 1.00 0.00 O ATOM 427 CB VAL B 27 -17.315 -15.774 -0.547 1.00 0.00 C ATOM 428 CG1 VAL B 27 -17.953 -16.574 -1.673 1.00 0.00 C ATOM 429 CG2 VAL B 27 -18.258 -15.671 0.641 1.00 0.00 C ATOM 0 H VAL B 27 -15.371 -14.723 0.971 1.00 0.00 H new ATOM 0 HA VAL B 27 -16.147 -17.442 0.154 1.00 0.00 H new ATOM 0 HB VAL B 27 -17.119 -14.767 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -18.899 -16.113 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -17.284 -16.588 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -18.133 -17.595 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -19.200 -15.225 0.320 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -18.446 -16.666 1.044 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -17.805 -15.047 1.412 1.00 0.00 H new ATOM 439 N GLU B 28 -14.402 -17.479 -1.602 1.00 0.00 N ATOM 440 CA GLU B 28 -13.487 -17.583 -2.725 1.00 0.00 C ATOM 441 C GLU B 28 -14.268 -17.712 -4.026 1.00 0.00 C ATOM 442 O GLU B 28 -15.363 -18.279 -4.042 1.00 0.00 O ATOM 443 CB GLU B 28 -12.571 -18.791 -2.552 1.00 0.00 C ATOM 444 CG GLU B 28 -11.799 -18.795 -1.244 1.00 0.00 C ATOM 445 CD GLU B 28 -10.965 -20.048 -1.077 1.00 0.00 C ATOM 446 OE1 GLU B 28 -9.720 -19.950 -1.112 1.00 0.00 O ATOM 447 OE2 GLU B 28 -11.549 -21.144 -0.940 1.00 0.00 O ATOM 0 H GLU B 28 -14.536 -18.349 -1.087 1.00 0.00 H new ATOM 0 HA GLU B 28 -12.878 -16.680 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -13.169 -19.700 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -11.863 -18.820 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -11.150 -17.920 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -12.497 -18.712 -0.411 1.00 0.00 H new ATOM 454 N GLY B 29 -13.711 -17.184 -5.108 1.00 0.00 N ATOM 455 CA GLY B 29 -14.378 -17.247 -6.394 1.00 0.00 C ATOM 456 C GLY B 29 -15.408 -16.149 -6.557 1.00 0.00 C ATOM 457 O GLY B 29 -16.162 -16.130 -7.532 1.00 0.00 O ATOM 0 H GLY B 29 -12.807 -16.712 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -13.637 -17.169 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -14.863 -18.217 -6.503 1.00 0.00 H new ATOM 461 N GLN B 30 -15.440 -15.234 -5.601 1.00 0.00 N ATOM 462 CA GLN B 30 -16.393 -14.140 -5.621 1.00 0.00 C ATOM 463 C GLN B 30 -15.699 -12.805 -5.368 1.00 0.00 C ATOM 464 O GLN B 30 -14.643 -12.746 -4.739 1.00 0.00 O ATOM 465 CB GLN B 30 -17.486 -14.358 -4.568 1.00 0.00 C ATOM 466 CG GLN B 30 -18.375 -13.142 -4.382 1.00 0.00 C ATOM 467 CD GLN B 30 -19.318 -13.247 -3.210 1.00 0.00 C ATOM 468 OE1 GLN B 30 -19.835 -14.318 -2.894 1.00 0.00 O ATOM 469 NE2 GLN B 30 -19.503 -12.138 -2.525 1.00 0.00 N ATOM 0 H GLN B 30 -14.812 -15.229 -4.797 1.00 0.00 H new ATOM 0 HA GLN B 30 -16.849 -14.116 -6.611 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -18.100 -15.210 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -17.021 -14.611 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -17.746 -12.261 -4.252 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -18.957 -12.987 -5.291 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -19.054 -11.273 -2.825 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -20.096 -12.144 -1.695 1.00 0.00 H new ATOM 478 N ASP B 31 -16.294 -11.741 -5.885 1.00 0.00 N ATOM 479 CA ASP B 31 -15.857 -10.388 -5.592 1.00 0.00 C ATOM 480 C ASP B 31 -16.534 -9.890 -4.331 1.00 0.00 C ATOM 481 O ASP B 31 -17.756 -9.737 -4.296 1.00 0.00 O ATOM 482 CB ASP B 31 -16.219 -9.454 -6.737 1.00 0.00 C ATOM 483 CG ASP B 31 -15.506 -9.814 -8.024 1.00 0.00 C ATOM 484 OD1 ASP B 31 -16.168 -10.294 -8.966 1.00 0.00 O ATOM 485 OD2 ASP B 31 -14.270 -9.647 -8.085 1.00 0.00 O ATOM 0 H ASP B 31 -17.092 -11.793 -6.518 1.00 0.00 H new ATOM 0 HA ASP B 31 -14.775 -10.400 -5.458 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -17.296 -9.485 -6.901 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -15.968 -8.430 -6.460 1.00 0.00 H new ATOM 490 N VAL B 32 -15.756 -9.639 -3.296 1.00 0.00 N ATOM 491 CA VAL B 32 -16.315 -9.122 -2.060 1.00 0.00 C ATOM 492 C VAL B 32 -16.873 -7.715 -2.282 1.00 0.00 C ATOM 493 O VAL B 32 -17.897 -7.350 -1.713 1.00 0.00 O ATOM 494 CB VAL B 32 -15.271 -9.107 -0.918 1.00 0.00 C ATOM 495 CG1 VAL B 32 -14.204 -8.053 -1.158 1.00 0.00 C ATOM 496 CG2 VAL B 32 -15.952 -8.896 0.422 1.00 0.00 C ATOM 0 H VAL B 32 -14.746 -9.782 -3.284 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.123 -9.789 -1.759 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.775 -10.077 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.486 -8.069 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -13.689 -8.264 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.670 -7.069 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -15.203 -8.888 1.214 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -16.482 -7.944 0.415 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -16.661 -9.704 0.601 1.00 0.00 H new ATOM 506 N VAL B 33 -16.214 -6.948 -3.150 1.00 0.00 N ATOM 507 CA VAL B 33 -16.610 -5.571 -3.421 1.00 0.00 C ATOM 508 C VAL B 33 -18.051 -5.484 -3.930 1.00 0.00 C ATOM 509 O VAL B 33 -18.853 -4.734 -3.374 1.00 0.00 O ATOM 510 CB VAL B 33 -15.632 -4.876 -4.407 1.00 0.00 C ATOM 511 CG1 VAL B 33 -15.218 -5.803 -5.531 1.00 0.00 C ATOM 512 CG2 VAL B 33 -16.224 -3.596 -4.970 1.00 0.00 C ATOM 0 H VAL B 33 -15.400 -7.261 -3.679 1.00 0.00 H new ATOM 0 HA VAL B 33 -16.561 -5.037 -2.472 1.00 0.00 H new ATOM 0 HB VAL B 33 -14.740 -4.617 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -14.534 -5.281 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -14.721 -6.679 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -16.101 -6.117 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -15.512 -3.137 -5.656 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -17.146 -3.826 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -16.439 -2.905 -4.155 1.00 0.00 H new ATOM 522 N GLU B 34 -18.392 -6.271 -4.952 1.00 0.00 N ATOM 523 CA GLU B 34 -19.737 -6.230 -5.520 1.00 0.00 C ATOM 524 C GLU B 34 -20.778 -6.718 -4.524 1.00 0.00 C ATOM 525 O GLU B 34 -21.928 -6.291 -4.563 1.00 0.00 O ATOM 526 CB GLU B 34 -19.828 -7.041 -6.813 1.00 0.00 C ATOM 527 CG GLU B 34 -19.489 -6.230 -8.049 1.00 0.00 C ATOM 528 CD GLU B 34 -19.757 -6.981 -9.339 1.00 0.00 C ATOM 529 OE1 GLU B 34 -20.881 -6.864 -9.874 1.00 0.00 O ATOM 530 OE2 GLU B 34 -18.848 -7.684 -9.827 1.00 0.00 O ATOM 0 H GLU B 34 -17.762 -6.937 -5.398 1.00 0.00 H new ATOM 0 HA GLU B 34 -19.947 -5.187 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.152 -7.894 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -20.837 -7.441 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.071 -5.308 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -18.438 -5.944 -8.013 1.00 0.00 H new ATOM 537 N ALA B 35 -20.376 -7.609 -3.634 1.00 0.00 N ATOM 538 CA ALA B 35 -21.269 -8.086 -2.592 1.00 0.00 C ATOM 539 C ALA B 35 -21.657 -6.942 -1.670 1.00 0.00 C ATOM 540 O ALA B 35 -22.826 -6.741 -1.352 1.00 0.00 O ATOM 541 CB ALA B 35 -20.612 -9.196 -1.796 1.00 0.00 C ATOM 0 H ALA B 35 -19.441 -8.015 -3.612 1.00 0.00 H new ATOM 0 HA ALA B 35 -22.169 -8.482 -3.063 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -21.295 -9.541 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -20.369 -10.025 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -19.698 -8.821 -1.334 1.00 0.00 H new ATOM 547 N ILE B 36 -20.663 -6.173 -1.270 1.00 0.00 N ATOM 548 CA ILE B 36 -20.873 -5.088 -0.333 1.00 0.00 C ATOM 549 C ILE B 36 -21.652 -3.950 -0.978 1.00 0.00 C ATOM 550 O ILE B 36 -22.775 -3.647 -0.574 1.00 0.00 O ATOM 551 CB ILE B 36 -19.534 -4.540 0.183 1.00 0.00 C ATOM 552 CG1 ILE B 36 -18.663 -5.678 0.703 1.00 0.00 C ATOM 553 CG2 ILE B 36 -19.778 -3.514 1.278 1.00 0.00 C ATOM 554 CD1 ILE B 36 -17.208 -5.301 0.834 1.00 0.00 C ATOM 0 H ILE B 36 -19.698 -6.281 -1.581 1.00 0.00 H new ATOM 0 HA ILE B 36 -21.447 -5.492 0.501 1.00 0.00 H new ATOM 0 HB ILE B 36 -19.011 -4.054 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -19.038 -5.998 1.675 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -18.751 -6.531 0.030 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -18.823 -3.131 1.637 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -20.372 -2.691 0.880 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -20.315 -3.983 2.103 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -16.643 -6.155 1.209 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -16.819 -5.008 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -17.109 -4.467 1.529 1.00 0.00 H new ATOM 566 N LEU B 37 -21.063 -3.353 -2.012 1.00 0.00 N ATOM 567 CA LEU B 37 -21.611 -2.135 -2.612 1.00 0.00 C ATOM 568 C LEU B 37 -23.042 -2.310 -3.113 1.00 0.00 C ATOM 569 O LEU B 37 -23.807 -1.345 -3.173 1.00 0.00 O ATOM 570 CB LEU B 37 -20.698 -1.613 -3.736 1.00 0.00 C ATOM 571 CG LEU B 37 -20.230 -2.620 -4.795 1.00 0.00 C ATOM 572 CD1 LEU B 37 -21.350 -2.985 -5.760 1.00 0.00 C ATOM 573 CD2 LEU B 37 -19.053 -2.049 -5.555 1.00 0.00 C ATOM 0 H LEU B 37 -20.207 -3.691 -2.452 1.00 0.00 H new ATOM 0 HA LEU B 37 -21.648 -1.390 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -21.223 -0.806 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -19.813 -1.175 -3.274 1.00 0.00 H new ATOM 0 HG LEU B 37 -19.928 -3.533 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -20.979 -3.700 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -22.177 -3.430 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -21.697 -2.087 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -18.723 -2.766 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -19.351 -1.122 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -18.236 -1.847 -4.862 1.00 0.00 H new ATOM 585 N ALA B 38 -23.399 -3.530 -3.452 1.00 0.00 N ATOM 586 CA ALA B 38 -24.708 -3.814 -4.009 1.00 0.00 C ATOM 587 C ALA B 38 -25.742 -4.100 -2.922 1.00 0.00 C ATOM 588 O ALA B 38 -26.876 -3.623 -2.997 1.00 0.00 O ATOM 589 CB ALA B 38 -24.607 -4.981 -4.969 1.00 0.00 C ATOM 0 H ALA B 38 -22.798 -4.348 -3.351 1.00 0.00 H new ATOM 0 HA ALA B 38 -25.047 -2.928 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -25.591 -5.194 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -23.917 -4.731 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -24.241 -5.859 -4.437 1.00 0.00 H new ATOM 595 N HIS B 39 -25.353 -4.860 -1.901 1.00 0.00 N ATOM 596 CA HIS B 39 -26.306 -5.259 -0.869 1.00 0.00 C ATOM 597 C HIS B 39 -26.613 -4.103 0.076 1.00 0.00 C ATOM 598 O HIS B 39 -27.721 -4.011 0.600 1.00 0.00 O ATOM 599 CB HIS B 39 -25.817 -6.475 -0.076 1.00 0.00 C ATOM 600 CG HIS B 39 -25.971 -7.784 -0.792 1.00 0.00 C ATOM 601 ND1 HIS B 39 -27.047 -8.627 -0.606 1.00 0.00 N ATOM 602 CD2 HIS B 39 -25.167 -8.402 -1.687 1.00 0.00 C ATOM 603 CE1 HIS B 39 -26.892 -9.705 -1.355 1.00 0.00 C ATOM 604 NE2 HIS B 39 -25.759 -9.594 -2.020 1.00 0.00 N ATOM 0 H HIS B 39 -24.403 -5.206 -1.767 1.00 0.00 H new ATOM 0 HA HIS B 39 -27.225 -5.543 -1.383 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -24.765 -6.332 0.173 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -26.364 -6.523 0.866 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -24.230 -8.026 -2.070 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -27.578 -10.537 -1.413 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -25.384 -10.281 -2.674 1.00 0.00 H new ATOM 613 N LEU B 40 -25.657 -3.204 0.286 1.00 0.00 N ATOM 614 CA LEU B 40 -25.959 -2.000 1.041 1.00 0.00 C ATOM 615 C LEU B 40 -26.112 -0.798 0.113 1.00 0.00 C ATOM 616 O LEU B 40 -25.210 0.018 -0.057 1.00 0.00 O ATOM 617 CB LEU B 40 -24.955 -1.733 2.185 1.00 0.00 C ATOM 618 CG LEU B 40 -23.471 -2.056 1.937 1.00 0.00 C ATOM 619 CD1 LEU B 40 -22.812 -1.037 1.027 1.00 0.00 C ATOM 620 CD2 LEU B 40 -22.726 -2.123 3.259 1.00 0.00 C ATOM 0 H LEU B 40 -24.696 -3.283 -0.046 1.00 0.00 H new ATOM 0 HA LEU B 40 -26.918 -2.167 1.532 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -25.027 -0.679 2.452 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -25.280 -2.305 3.054 1.00 0.00 H new ATOM 0 HG LEU B 40 -23.425 -3.024 1.438 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -21.766 -1.304 0.879 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -23.323 -1.025 0.064 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -22.873 -0.049 1.483 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -21.677 -2.352 3.074 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -22.803 -1.163 3.769 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -23.163 -2.902 3.884 1.00 0.00 H new ATOM 632 N ASN B 41 -27.284 -0.696 -0.485 1.00 0.00 N ATOM 633 CA ASN B 41 -27.612 0.429 -1.351 1.00 0.00 C ATOM 634 C ASN B 41 -28.222 1.547 -0.517 1.00 0.00 C ATOM 635 O ASN B 41 -29.142 2.243 -0.939 1.00 0.00 O ATOM 636 CB ASN B 41 -28.567 -0.015 -2.469 1.00 0.00 C ATOM 637 CG ASN B 41 -29.721 -0.865 -1.970 1.00 0.00 C ATOM 638 OD1 ASN B 41 -30.770 -0.353 -1.587 1.00 0.00 O ATOM 639 ND2 ASN B 41 -29.533 -2.177 -1.986 1.00 0.00 N ATOM 0 H ASN B 41 -28.032 -1.382 -0.388 1.00 0.00 H new ATOM 0 HA ASN B 41 -26.703 0.802 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN B 41 -28.965 0.868 -2.969 1.00 0.00 H new ATOM 0 HB3 ASN B 41 -28.006 -0.578 -3.215 1.00 0.00 H new ATOM 0 HD21 ASN B 41 -30.275 -2.802 -1.672 1.00 0.00 H new ATOM 0 HD22 ASN B 41 -28.646 -2.561 -2.312 1.00 0.00 H new ATOM 646 N THR B 42 -27.648 1.726 0.662 1.00 0.00 N ATOM 647 CA THR B 42 -28.114 2.700 1.631 1.00 0.00 C ATOM 648 C THR B 42 -27.444 4.056 1.401 1.00 0.00 C ATOM 649 O THR B 42 -28.019 5.108 1.686 1.00 0.00 O ATOM 650 CB THR B 42 -27.834 2.191 3.072 1.00 0.00 C ATOM 651 OG1 THR B 42 -28.098 3.211 4.044 1.00 0.00 O ATOM 652 CG2 THR B 42 -26.394 1.710 3.208 1.00 0.00 C ATOM 0 H THR B 42 -26.837 1.192 0.975 1.00 0.00 H new ATOM 0 HA THR B 42 -29.189 2.829 1.506 1.00 0.00 H new ATOM 0 HB THR B 42 -28.506 1.353 3.257 1.00 0.00 H new ATOM 0 HG1 THR B 42 -27.534 3.066 4.832 1.00 0.00 H new ATOM 0 HG21 THR B 42 -26.222 1.359 4.225 1.00 0.00 H new ATOM 0 HG22 THR B 42 -26.215 0.894 2.507 1.00 0.00 H new ATOM 0 HG23 THR B 42 -25.713 2.533 2.989 1.00 0.00 H new ATOM 660 N VAL B 43 -26.234 4.030 0.860 1.00 0.00 N ATOM 661 CA VAL B 43 -25.495 5.255 0.599 1.00 0.00 C ATOM 662 C VAL B 43 -25.354 5.457 -0.903 1.00 0.00 C ATOM 663 O VAL B 43 -24.903 4.558 -1.600 1.00 0.00 O ATOM 664 CB VAL B 43 -24.070 5.223 1.201 1.00 0.00 C ATOM 665 CG1 VAL B 43 -23.676 6.582 1.739 1.00 0.00 C ATOM 666 CG2 VAL B 43 -23.917 4.158 2.272 1.00 0.00 C ATOM 0 H VAL B 43 -25.745 3.175 0.594 1.00 0.00 H new ATOM 0 HA VAL B 43 -26.056 6.066 1.063 1.00 0.00 H new ATOM 0 HB VAL B 43 -23.393 4.961 0.388 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -22.670 6.531 2.156 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -23.697 7.313 0.931 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -24.377 6.882 2.518 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -22.899 4.178 2.662 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -24.620 4.353 3.082 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -24.122 3.178 1.842 1.00 0.00 H new ATOM 676 N PRO B 44 -25.755 6.611 -1.439 1.00 0.00 N ATOM 677 CA PRO B 44 -25.487 6.937 -2.837 1.00 0.00 C ATOM 678 C PRO B 44 -24.036 7.362 -3.035 1.00 0.00 C ATOM 679 O PRO B 44 -23.652 8.476 -2.686 1.00 0.00 O ATOM 680 CB PRO B 44 -26.450 8.089 -3.127 1.00 0.00 C ATOM 681 CG PRO B 44 -26.713 8.729 -1.804 1.00 0.00 C ATOM 682 CD PRO B 44 -26.515 7.669 -0.749 1.00 0.00 C ATOM 0 HA PRO B 44 -25.632 6.089 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -26.012 8.800 -3.827 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -27.373 7.725 -3.578 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -26.035 9.566 -1.640 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -27.727 9.127 -1.764 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -25.967 8.058 0.109 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -27.468 7.296 -0.375 1.00 0.00 H new ATOM 690 N ARG B 45 -23.227 6.458 -3.567 1.00 0.00 N ATOM 691 CA ARG B 45 -21.806 6.717 -3.732 1.00 0.00 C ATOM 692 C ARG B 45 -21.267 6.002 -4.961 1.00 0.00 C ATOM 693 O ARG B 45 -21.979 5.231 -5.607 1.00 0.00 O ATOM 694 CB ARG B 45 -21.013 6.253 -2.502 1.00 0.00 C ATOM 695 CG ARG B 45 -20.959 4.740 -2.326 1.00 0.00 C ATOM 696 CD ARG B 45 -21.897 4.268 -1.238 1.00 0.00 C ATOM 697 NE ARG B 45 -21.909 2.808 -1.098 1.00 0.00 N ATOM 698 CZ ARG B 45 -22.755 1.988 -1.738 1.00 0.00 C ATOM 699 NH1 ARG B 45 -23.685 2.465 -2.550 1.00 0.00 N ATOM 700 NH2 ARG B 45 -22.674 0.681 -1.548 1.00 0.00 N ATOM 0 H ARG B 45 -23.531 5.540 -3.891 1.00 0.00 H new ATOM 0 HA ARG B 45 -21.685 7.794 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -19.995 6.635 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -21.456 6.695 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -21.220 4.255 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -19.940 4.438 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -21.603 4.718 -0.290 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -22.906 4.617 -1.457 1.00 0.00 H new ATOM 0 HE ARG B 45 -21.225 2.387 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -23.766 3.471 -2.697 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -24.320 1.827 -3.029 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -21.970 0.300 -0.916 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -23.316 0.054 -2.033 1.00 0.00 H new ATOM 714 N THR B 46 -20.009 6.262 -5.271 1.00 0.00 N ATOM 715 CA THR B 46 -19.323 5.530 -6.316 1.00 0.00 C ATOM 716 C THR B 46 -18.794 4.217 -5.739 1.00 0.00 C ATOM 717 O THR B 46 -18.666 4.074 -4.518 1.00 0.00 O ATOM 718 CB THR B 46 -18.165 6.358 -6.923 1.00 0.00 C ATOM 719 OG1 THR B 46 -17.633 5.700 -8.080 1.00 0.00 O ATOM 720 CG2 THR B 46 -17.052 6.577 -5.904 1.00 0.00 C ATOM 0 H THR B 46 -19.443 6.976 -4.812 1.00 0.00 H new ATOM 0 HA THR B 46 -20.029 5.324 -7.120 1.00 0.00 H new ATOM 0 HB THR B 46 -18.568 7.329 -7.212 1.00 0.00 H new ATOM 0 HG1 THR B 46 -16.903 6.236 -8.454 1.00 0.00 H new ATOM 0 HG21 THR B 46 -16.252 7.162 -6.359 1.00 0.00 H new ATOM 0 HG22 THR B 46 -17.448 7.113 -5.042 1.00 0.00 H new ATOM 0 HG23 THR B 46 -16.659 5.613 -5.582 1.00 0.00 H new ATOM 728 N ARG B 47 -18.485 3.266 -6.605 1.00 0.00 N ATOM 729 CA ARG B 47 -18.072 1.938 -6.166 1.00 0.00 C ATOM 730 C ARG B 47 -16.703 2.005 -5.489 1.00 0.00 C ATOM 731 O ARG B 47 -16.389 1.211 -4.596 1.00 0.00 O ATOM 732 CB ARG B 47 -18.042 0.973 -7.354 1.00 0.00 C ATOM 733 CG ARG B 47 -19.284 1.052 -8.236 1.00 0.00 C ATOM 734 CD ARG B 47 -20.573 0.936 -7.430 1.00 0.00 C ATOM 735 NE ARG B 47 -21.761 1.058 -8.272 1.00 0.00 N ATOM 736 CZ ARG B 47 -22.905 1.622 -7.880 1.00 0.00 C ATOM 737 NH1 ARG B 47 -23.006 2.168 -6.672 1.00 0.00 N ATOM 738 NH2 ARG B 47 -23.943 1.655 -8.708 1.00 0.00 N ATOM 0 H ARG B 47 -18.512 3.386 -7.618 1.00 0.00 H new ATOM 0 HA ARG B 47 -18.795 1.567 -5.440 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -17.162 1.184 -7.961 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -17.935 -0.046 -6.981 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -19.282 1.997 -8.780 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -19.250 0.256 -8.980 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -20.592 -0.024 -6.914 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -20.592 1.711 -6.663 1.00 0.00 H new ATOM 0 HE ARG B 47 -21.713 0.688 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -22.206 2.157 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -23.883 2.598 -6.378 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -23.864 1.250 -9.641 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -24.819 2.085 -8.411 1.00 0.00 H new ATOM 752 N LYS B 48 -15.913 2.986 -5.911 1.00 0.00 N ATOM 753 CA LYS B 48 -14.598 3.249 -5.336 1.00 0.00 C ATOM 754 C LYS B 48 -14.672 3.465 -3.821 1.00 0.00 C ATOM 755 O LYS B 48 -13.742 3.107 -3.095 1.00 0.00 O ATOM 756 CB LYS B 48 -13.968 4.459 -6.063 1.00 0.00 C ATOM 757 CG LYS B 48 -12.994 5.306 -5.243 1.00 0.00 C ATOM 758 CD LYS B 48 -13.730 6.340 -4.397 1.00 0.00 C ATOM 759 CE LYS B 48 -12.783 7.271 -3.661 1.00 0.00 C ATOM 760 NZ LYS B 48 -12.050 8.176 -4.585 1.00 0.00 N ATOM 0 H LYS B 48 -16.167 3.624 -6.665 1.00 0.00 H new ATOM 0 HA LYS B 48 -13.962 2.376 -5.482 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.445 4.094 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -14.773 5.105 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.403 4.658 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -12.297 5.811 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.387 6.928 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -14.365 5.828 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -13.347 7.867 -2.944 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -12.067 6.680 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -11.534 8.891 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.376 7.622 -5.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.727 8.649 -5.218 1.00 0.00 H new ATOM 774 N GLN B 49 -15.780 4.030 -3.342 1.00 0.00 N ATOM 775 CA GLN B 49 -15.921 4.332 -1.921 1.00 0.00 C ATOM 776 C GLN B 49 -15.919 3.074 -1.083 1.00 0.00 C ATOM 777 O GLN B 49 -15.259 3.022 -0.056 1.00 0.00 O ATOM 778 CB GLN B 49 -17.195 5.118 -1.629 1.00 0.00 C ATOM 779 CG GLN B 49 -17.110 6.579 -2.012 1.00 0.00 C ATOM 780 CD GLN B 49 -18.147 7.422 -1.298 1.00 0.00 C ATOM 781 OE1 GLN B 49 -18.573 7.093 -0.186 1.00 0.00 O ATOM 782 NE2 GLN B 49 -18.556 8.513 -1.919 1.00 0.00 N ATOM 0 H GLN B 49 -16.586 4.285 -3.913 1.00 0.00 H new ATOM 0 HA GLN B 49 -15.059 4.944 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -18.025 4.659 -2.165 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -17.422 5.043 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -16.115 6.956 -1.778 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -17.243 6.678 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -18.179 8.749 -2.837 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -19.249 9.120 -1.481 1.00 0.00 H new ATOM 791 N ILE B 50 -16.650 2.064 -1.522 1.00 0.00 N ATOM 792 CA ILE B 50 -16.762 0.833 -0.758 1.00 0.00 C ATOM 793 C ILE B 50 -15.396 0.185 -0.612 1.00 0.00 C ATOM 794 O ILE B 50 -14.969 -0.155 0.496 1.00 0.00 O ATOM 795 CB ILE B 50 -17.746 -0.164 -1.410 1.00 0.00 C ATOM 796 CG1 ILE B 50 -19.178 0.378 -1.371 1.00 0.00 C ATOM 797 CG2 ILE B 50 -17.674 -1.516 -0.724 1.00 0.00 C ATOM 798 CD1 ILE B 50 -19.530 1.303 -2.519 1.00 0.00 C ATOM 0 H ILE B 50 -17.172 2.071 -2.398 1.00 0.00 H new ATOM 0 HA ILE B 50 -17.154 1.093 0.225 1.00 0.00 H new ATOM 0 HB ILE B 50 -17.455 -0.290 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -19.872 -0.463 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -19.326 0.912 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -18.375 -2.203 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -16.663 -1.914 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -17.933 -1.404 0.329 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -20.561 1.639 -2.412 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -18.864 2.166 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -19.418 0.770 -3.463 1.00 0.00 H new ATOM 810 N ILE B 51 -14.700 0.066 -1.736 1.00 0.00 N ATOM 811 CA ILE B 51 -13.361 -0.508 -1.751 1.00 0.00 C ATOM 812 C ILE B 51 -12.444 0.277 -0.822 1.00 0.00 C ATOM 813 O ILE B 51 -11.723 -0.284 0.006 1.00 0.00 O ATOM 814 CB ILE B 51 -12.751 -0.469 -3.165 1.00 0.00 C ATOM 815 CG1 ILE B 51 -13.562 -1.346 -4.117 1.00 0.00 C ATOM 816 CG2 ILE B 51 -11.288 -0.900 -3.126 1.00 0.00 C ATOM 817 CD1 ILE B 51 -13.052 -1.336 -5.543 1.00 0.00 C ATOM 0 H ILE B 51 -15.042 0.360 -2.651 1.00 0.00 H new ATOM 0 HA ILE B 51 -13.448 -1.543 -1.421 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.788 0.555 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.555 -2.371 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.599 -1.011 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -10.872 -0.867 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -10.727 -0.225 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -11.218 -1.916 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.679 -1.982 -6.158 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -13.085 -0.319 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -12.025 -1.700 -5.565 1.00 0.00 H new ATOM 829 N HIS B 52 -12.509 1.592 -0.963 1.00 0.00 N ATOM 830 CA HIS B 52 -11.595 2.486 -0.283 1.00 0.00 C ATOM 831 C HIS B 52 -11.900 2.615 1.201 1.00 0.00 C ATOM 832 O HIS B 52 -10.997 2.483 2.015 1.00 0.00 O ATOM 833 CB HIS B 52 -11.608 3.855 -0.953 1.00 0.00 C ATOM 834 CG HIS B 52 -10.642 3.961 -2.088 1.00 0.00 C ATOM 835 ND1 HIS B 52 -9.711 4.965 -2.173 1.00 0.00 N ATOM 836 CD2 HIS B 52 -10.450 3.176 -3.180 1.00 0.00 C ATOM 837 CE1 HIS B 52 -8.987 4.801 -3.255 1.00 0.00 C ATOM 838 NE2 HIS B 52 -9.414 3.724 -3.890 1.00 0.00 N ATOM 0 H HIS B 52 -13.196 2.065 -1.551 1.00 0.00 H new ATOM 0 HA HIS B 52 -10.598 2.052 -0.362 1.00 0.00 H new ATOM 0 HB2 HIS B 52 -12.613 4.065 -1.319 1.00 0.00 H new ATOM 0 HB3 HIS B 52 -11.373 4.618 -0.211 1.00 0.00 H new ATOM 0 HD2 HIS B 52 -11.008 2.288 -3.439 1.00 0.00 H new ATOM 0 HE1 HIS B 52 -8.177 5.440 -3.574 1.00 0.00 H new ATOM 0 HE2 HIS B 52 -9.035 3.360 -4.764 1.00 0.00 H new ATOM 847 N HIS B 53 -13.162 2.852 1.558 1.00 0.00 N ATOM 848 CA HIS B 53 -13.530 3.071 2.962 1.00 0.00 C ATOM 849 C HIS B 53 -13.063 1.914 3.842 1.00 0.00 C ATOM 850 O HIS B 53 -12.673 2.111 4.988 1.00 0.00 O ATOM 851 CB HIS B 53 -15.046 3.253 3.128 1.00 0.00 C ATOM 852 CG HIS B 53 -15.591 4.529 2.565 1.00 0.00 C ATOM 853 ND1 HIS B 53 -14.868 5.704 2.514 1.00 0.00 N ATOM 854 CD2 HIS B 53 -16.804 4.812 2.016 1.00 0.00 C ATOM 855 CE1 HIS B 53 -15.606 6.648 1.962 1.00 0.00 C ATOM 856 NE2 HIS B 53 -16.778 6.135 1.653 1.00 0.00 N ATOM 0 H HIS B 53 -13.943 2.898 0.903 1.00 0.00 H new ATOM 0 HA HIS B 53 -13.030 3.987 3.278 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -15.553 2.415 2.649 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -15.289 3.208 4.190 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -17.629 4.126 1.890 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -15.300 7.670 1.792 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -17.546 6.641 1.213 1.00 0.00 H new ATOM 865 N LEU B 54 -13.076 0.714 3.283 1.00 0.00 N ATOM 866 CA LEU B 54 -12.711 -0.481 4.028 1.00 0.00 C ATOM 867 C LEU B 54 -11.205 -0.570 4.255 1.00 0.00 C ATOM 868 O LEU B 54 -10.754 -0.823 5.376 1.00 0.00 O ATOM 869 CB LEU B 54 -13.227 -1.718 3.301 1.00 0.00 C ATOM 870 CG LEU B 54 -14.744 -1.891 3.352 1.00 0.00 C ATOM 871 CD1 LEU B 54 -15.195 -2.942 2.359 1.00 0.00 C ATOM 872 CD2 LEU B 54 -15.186 -2.270 4.756 1.00 0.00 C ATOM 0 H LEU B 54 -13.336 0.541 2.312 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.177 -0.425 5.012 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.914 -1.669 2.258 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -12.758 -2.601 3.734 1.00 0.00 H new ATOM 0 HG LEU B 54 -15.207 -0.941 3.083 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -16.278 -3.050 2.411 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -14.908 -2.638 1.352 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -14.723 -3.895 2.598 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -16.269 -2.390 4.777 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -14.712 -3.208 5.046 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -14.894 -1.485 5.454 1.00 0.00 H new ATOM 884 N VAL B 55 -10.420 -0.354 3.207 1.00 0.00 N ATOM 885 CA VAL B 55 -8.967 -0.384 3.346 1.00 0.00 C ATOM 886 C VAL B 55 -8.481 0.854 4.093 1.00 0.00 C ATOM 887 O VAL B 55 -7.413 0.851 4.702 1.00 0.00 O ATOM 888 CB VAL B 55 -8.243 -0.513 1.985 1.00 0.00 C ATOM 889 CG1 VAL B 55 -8.632 -1.808 1.307 1.00 0.00 C ATOM 890 CG2 VAL B 55 -8.547 0.655 1.067 1.00 0.00 C ATOM 0 H VAL B 55 -10.757 -0.159 2.264 1.00 0.00 H new ATOM 0 HA VAL B 55 -8.719 -1.275 3.923 1.00 0.00 H new ATOM 0 HB VAL B 55 -7.172 -0.510 2.186 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -8.116 -1.887 0.350 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -8.352 -2.649 1.941 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -9.709 -1.822 1.141 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -8.018 0.523 0.123 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -9.620 0.700 0.879 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -8.222 1.582 1.538 1.00 0.00 H new ATOM 900 N GLN B 56 -9.298 1.899 4.065 1.00 0.00 N ATOM 901 CA GLN B 56 -9.027 3.123 4.806 1.00 0.00 C ATOM 902 C GLN B 56 -9.212 2.913 6.306 1.00 0.00 C ATOM 903 O GLN B 56 -8.636 3.635 7.118 1.00 0.00 O ATOM 904 CB GLN B 56 -9.954 4.235 4.322 1.00 0.00 C ATOM 905 CG GLN B 56 -9.490 4.928 3.049 1.00 0.00 C ATOM 906 CD GLN B 56 -10.571 5.807 2.458 1.00 0.00 C ATOM 907 OE1 GLN B 56 -11.425 6.333 3.172 1.00 0.00 O ATOM 908 NE2 GLN B 56 -10.554 5.957 1.147 1.00 0.00 N ATOM 0 H GLN B 56 -10.165 1.922 3.529 1.00 0.00 H new ATOM 0 HA GLN B 56 -7.990 3.406 4.628 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -10.946 3.817 4.153 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -10.052 4.980 5.112 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -8.609 5.532 3.265 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -9.191 4.179 2.316 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -9.829 5.504 0.591 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -11.266 6.526 0.690 1.00 0.00 H new ATOM 917 N MET B 57 -10.025 1.928 6.672 1.00 0.00 N ATOM 918 CA MET B 57 -10.237 1.611 8.079 1.00 0.00 C ATOM 919 C MET B 57 -9.248 0.555 8.550 1.00 0.00 C ATOM 920 O MET B 57 -9.296 0.109 9.697 1.00 0.00 O ATOM 921 CB MET B 57 -11.679 1.156 8.328 1.00 0.00 C ATOM 922 CG MET B 57 -12.678 2.302 8.326 1.00 0.00 C ATOM 923 SD MET B 57 -14.369 1.769 8.672 1.00 0.00 S ATOM 924 CE MET B 57 -14.783 0.901 7.162 1.00 0.00 C ATOM 0 H MET B 57 -10.544 1.340 6.020 1.00 0.00 H new ATOM 0 HA MET B 57 -10.066 2.519 8.658 1.00 0.00 H new ATOM 0 HB2 MET B 57 -11.963 0.434 7.562 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.730 0.640 9.287 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.377 3.040 9.070 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.651 2.798 7.356 1.00 0.00 H new ATOM 0 HE1 MET B 57 -15.598 0.204 7.355 1.00 0.00 H new ATOM 0 HE2 MET B 57 -15.092 1.619 6.402 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.911 0.351 6.808 1.00 0.00 H new ATOM 934 N GLY B 58 -8.351 0.155 7.652 1.00 0.00 N ATOM 935 CA GLY B 58 -7.311 -0.795 8.003 1.00 0.00 C ATOM 936 C GLY B 58 -7.852 -2.180 8.293 1.00 0.00 C ATOM 937 O GLY B 58 -7.158 -3.015 8.869 1.00 0.00 O ATOM 0 H GLY B 58 -8.327 0.474 6.684 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -6.590 -0.855 7.187 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -6.773 -0.430 8.878 1.00 0.00 H new ATOM 941 N LEU B 59 -9.097 -2.423 7.907 1.00 0.00 N ATOM 942 CA LEU B 59 -9.710 -3.733 8.103 1.00 0.00 C ATOM 943 C LEU B 59 -9.603 -4.549 6.827 1.00 0.00 C ATOM 944 O LEU B 59 -9.713 -5.774 6.835 1.00 0.00 O ATOM 945 CB LEU B 59 -11.165 -3.592 8.576 1.00 0.00 C ATOM 946 CG LEU B 59 -12.072 -2.719 7.711 1.00 0.00 C ATOM 947 CD1 LEU B 59 -12.529 -3.464 6.475 1.00 0.00 C ATOM 948 CD2 LEU B 59 -13.268 -2.246 8.516 1.00 0.00 C ATOM 0 H LEU B 59 -9.701 -1.735 7.458 1.00 0.00 H new ATOM 0 HA LEU B 59 -9.173 -4.265 8.888 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -11.604 -4.588 8.637 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -11.159 -3.184 9.587 1.00 0.00 H new ATOM 0 HG LEU B 59 -11.499 -1.850 7.387 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -13.173 -2.818 5.878 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.661 -3.756 5.884 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -13.083 -4.355 6.771 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -13.907 -1.625 7.888 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -13.834 -3.109 8.868 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -12.924 -1.664 9.371 1.00 0.00 H new ATOM 960 N ALA B 60 -9.394 -3.845 5.728 1.00 0.00 N ATOM 961 CA ALA B 60 -9.098 -4.482 4.459 1.00 0.00 C ATOM 962 C ALA B 60 -7.670 -4.159 4.058 1.00 0.00 C ATOM 963 O ALA B 60 -7.148 -3.102 4.420 1.00 0.00 O ATOM 964 CB ALA B 60 -10.077 -4.038 3.388 1.00 0.00 C ATOM 0 H ALA B 60 -9.424 -2.826 5.691 1.00 0.00 H new ATOM 0 HA ALA B 60 -9.203 -5.562 4.568 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -9.834 -4.530 2.446 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -11.090 -4.307 3.687 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -10.012 -2.957 3.261 1.00 0.00 H new ATOM 970 N ASP B 61 -7.045 -5.064 3.325 1.00 0.00 N ATOM 971 CA ASP B 61 -5.633 -4.930 2.984 1.00 0.00 C ATOM 972 C ASP B 61 -5.391 -3.765 2.030 1.00 0.00 C ATOM 973 O ASP B 61 -4.772 -2.768 2.397 1.00 0.00 O ATOM 974 CB ASP B 61 -5.125 -6.223 2.345 1.00 0.00 C ATOM 975 CG ASP B 61 -3.636 -6.185 2.058 1.00 0.00 C ATOM 976 OD1 ASP B 61 -2.840 -6.508 2.965 1.00 0.00 O ATOM 977 OD2 ASP B 61 -3.259 -5.836 0.918 1.00 0.00 O ATOM 0 H ASP B 61 -7.491 -5.902 2.952 1.00 0.00 H new ATOM 0 HA ASP B 61 -5.089 -4.732 3.907 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -5.343 -7.061 3.007 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -5.666 -6.402 1.416 1.00 0.00 H new ATOM 982 N SER B 62 -5.900 -3.892 0.816 1.00 0.00 N ATOM 983 CA SER B 62 -5.654 -2.909 -0.229 1.00 0.00 C ATOM 984 C SER B 62 -6.784 -2.942 -1.241 1.00 0.00 C ATOM 985 O SER B 62 -7.675 -3.783 -1.152 1.00 0.00 O ATOM 986 CB SER B 62 -4.347 -3.216 -0.955 1.00 0.00 C ATOM 987 OG SER B 62 -3.268 -3.406 -0.055 1.00 0.00 O ATOM 0 H SER B 62 -6.491 -4.672 0.527 1.00 0.00 H new ATOM 0 HA SER B 62 -5.591 -1.925 0.236 1.00 0.00 H new ATOM 0 HB2 SER B 62 -4.473 -4.112 -1.564 1.00 0.00 H new ATOM 0 HB3 SER B 62 -4.111 -2.398 -1.636 1.00 0.00 H new ATOM 0 HG SER B 62 -3.050 -4.360 -0.003 1.00 0.00 H new ATOM 993 N VAL B 63 -6.727 -2.046 -2.216 1.00 0.00 N ATOM 994 CA VAL B 63 -7.688 -2.042 -3.309 1.00 0.00 C ATOM 995 C VAL B 63 -7.550 -3.328 -4.116 1.00 0.00 C ATOM 996 O VAL B 63 -8.510 -3.822 -4.704 1.00 0.00 O ATOM 997 CB VAL B 63 -7.484 -0.810 -4.221 1.00 0.00 C ATOM 998 CG1 VAL B 63 -8.275 -0.938 -5.516 1.00 0.00 C ATOM 999 CG2 VAL B 63 -7.882 0.456 -3.478 1.00 0.00 C ATOM 0 H VAL B 63 -6.023 -1.310 -2.272 1.00 0.00 H new ATOM 0 HA VAL B 63 -8.693 -1.986 -2.890 1.00 0.00 H new ATOM 0 HB VAL B 63 -6.428 -0.754 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -8.108 -0.055 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -7.947 -1.826 -6.057 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -9.337 -1.025 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -7.736 1.320 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -8.931 0.393 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -7.265 0.563 -2.586 1.00 0.00 H new ATOM 1009 N LYS B 64 -6.342 -3.881 -4.099 1.00 0.00 N ATOM 1010 CA LYS B 64 -6.042 -5.132 -4.786 1.00 0.00 C ATOM 1011 C LYS B 64 -6.885 -6.282 -4.234 1.00 0.00 C ATOM 1012 O LYS B 64 -7.138 -7.260 -4.933 1.00 0.00 O ATOM 1013 CB LYS B 64 -4.556 -5.463 -4.640 1.00 0.00 C ATOM 1014 CG LYS B 64 -3.630 -4.367 -5.144 1.00 0.00 C ATOM 1015 CD LYS B 64 -2.156 -4.745 -5.025 1.00 0.00 C ATOM 1016 CE LYS B 64 -1.692 -4.865 -3.575 1.00 0.00 C ATOM 1017 NZ LYS B 64 -1.919 -6.225 -3.014 1.00 0.00 N ATOM 0 H LYS B 64 -5.544 -3.475 -3.609 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.286 -5.006 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -4.338 -5.655 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -4.343 -6.384 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -3.863 -4.150 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -3.814 -3.453 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -1.986 -5.693 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -1.551 -3.995 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -0.631 -4.624 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -2.220 -4.132 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -2.494 -6.153 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -2.417 -6.811 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -1.004 -6.663 -2.785 1.00 0.00 H new ATOM 1031 N ASP B 65 -7.317 -6.149 -2.985 1.00 0.00 N ATOM 1032 CA ASP B 65 -8.139 -7.172 -2.335 1.00 0.00 C ATOM 1033 C ASP B 65 -9.494 -7.267 -3.025 1.00 0.00 C ATOM 1034 O ASP B 65 -10.054 -8.348 -3.203 1.00 0.00 O ATOM 1035 CB ASP B 65 -8.327 -6.830 -0.851 1.00 0.00 C ATOM 1036 CG ASP B 65 -9.022 -7.927 -0.061 1.00 0.00 C ATOM 1037 OD1 ASP B 65 -8.659 -9.108 -0.234 1.00 0.00 O ATOM 1038 OD2 ASP B 65 -9.908 -7.597 0.760 1.00 0.00 O ATOM 0 H ASP B 65 -7.112 -5.341 -2.398 1.00 0.00 H new ATOM 0 HA ASP B 65 -7.634 -8.135 -2.414 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -7.352 -6.634 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -8.906 -5.910 -0.768 1.00 0.00 H new ATOM 1043 N PHE B 66 -9.993 -6.118 -3.439 1.00 0.00 N ATOM 1044 CA PHE B 66 -11.281 -6.031 -4.099 1.00 0.00 C ATOM 1045 C PHE B 66 -11.113 -6.152 -5.601 1.00 0.00 C ATOM 1046 O PHE B 66 -11.830 -6.904 -6.262 1.00 0.00 O ATOM 1047 CB PHE B 66 -11.944 -4.687 -3.778 1.00 0.00 C ATOM 1048 CG PHE B 66 -12.107 -4.429 -2.314 1.00 0.00 C ATOM 1049 CD1 PHE B 66 -13.334 -4.572 -1.689 1.00 0.00 C ATOM 1050 CD2 PHE B 66 -11.019 -4.035 -1.560 1.00 0.00 C ATOM 1051 CE1 PHE B 66 -13.466 -4.328 -0.341 1.00 0.00 C ATOM 1052 CE2 PHE B 66 -11.141 -3.792 -0.216 1.00 0.00 C ATOM 1053 CZ PHE B 66 -12.365 -3.936 0.399 1.00 0.00 C ATOM 0 H PHE B 66 -9.519 -5.222 -3.328 1.00 0.00 H new ATOM 0 HA PHE B 66 -11.908 -6.847 -3.738 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -11.349 -3.885 -4.215 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -12.924 -4.653 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -14.195 -4.878 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -10.057 -3.916 -2.036 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -14.427 -4.442 0.138 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -10.279 -3.488 0.359 1.00 0.00 H new ATOM 0 HZ PHE B 66 -12.465 -3.743 1.457 1.00 0.00 H new ATOM 1184 N VAL B 74 4.219 -4.735 -13.837 1.00 0.00 N ATOM 1185 CA VAL B 74 4.831 -4.446 -15.112 1.00 0.00 C ATOM 1186 C VAL B 74 3.947 -4.957 -16.235 1.00 0.00 C ATOM 1187 O VAL B 74 3.223 -5.934 -16.062 1.00 0.00 O ATOM 1188 CB VAL B 74 6.234 -5.094 -15.216 1.00 0.00 C ATOM 1189 CG1 VAL B 74 7.090 -4.710 -14.023 1.00 0.00 C ATOM 1190 CG2 VAL B 74 6.129 -6.609 -15.336 1.00 0.00 C ATOM 0 HA VAL B 74 4.945 -3.365 -15.198 1.00 0.00 H new ATOM 0 HB VAL B 74 6.713 -4.717 -16.120 1.00 0.00 H new ATOM 0 HG11 VAL B 74 8.072 -5.175 -14.115 1.00 0.00 H new ATOM 0 HG12 VAL B 74 7.204 -3.626 -13.990 1.00 0.00 H new ATOM 0 HG13 VAL B 74 6.611 -5.052 -13.106 1.00 0.00 H new ATOM 0 HG21 VAL B 74 7.128 -7.038 -15.407 1.00 0.00 H new ATOM 0 HG22 VAL B 74 5.624 -7.009 -14.457 1.00 0.00 H new ATOM 0 HG23 VAL B 74 5.560 -6.865 -16.230 1.00 0.00 H new ATOM 1200 N LEU B 75 3.998 -4.271 -17.355 1.00 0.00 N ATOM 1201 CA LEU B 75 3.220 -4.625 -18.533 1.00 0.00 C ATOM 1202 C LEU B 75 3.360 -6.107 -18.907 1.00 0.00 C ATOM 1203 O LEU B 75 4.279 -6.496 -19.621 1.00 0.00 O ATOM 1204 CB LEU B 75 3.672 -3.724 -19.681 1.00 0.00 C ATOM 1205 CG LEU B 75 5.188 -3.499 -19.746 1.00 0.00 C ATOM 1206 CD1 LEU B 75 5.806 -4.267 -20.906 1.00 0.00 C ATOM 1207 CD2 LEU B 75 5.506 -2.018 -19.864 1.00 0.00 C ATOM 0 H LEU B 75 4.583 -3.445 -17.480 1.00 0.00 H new ATOM 0 HA LEU B 75 2.162 -4.473 -18.320 1.00 0.00 H new ATOM 0 HB2 LEU B 75 3.340 -4.161 -20.623 1.00 0.00 H new ATOM 0 HB3 LEU B 75 3.177 -2.758 -19.586 1.00 0.00 H new ATOM 0 HG LEU B 75 5.622 -3.875 -18.819 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.881 -4.089 -20.928 1.00 0.00 H new ATOM 0 HD12 LEU B 75 5.617 -5.333 -20.779 1.00 0.00 H new ATOM 0 HD13 LEU B 75 5.363 -3.929 -21.843 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.586 -1.880 -19.909 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.052 -1.619 -20.771 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.109 -1.490 -18.997 1.00 0.00 H new ATOM 1219 N TRP B 76 2.464 -6.938 -18.388 1.00 0.00 N ATOM 1220 CA TRP B 76 2.458 -8.351 -18.732 1.00 0.00 C ATOM 1221 C TRP B 76 1.537 -8.621 -19.911 1.00 0.00 C ATOM 1222 O TRP B 76 0.316 -8.523 -19.797 1.00 0.00 O ATOM 1223 CB TRP B 76 2.039 -9.213 -17.537 1.00 0.00 C ATOM 1224 CG TRP B 76 3.159 -9.522 -16.598 1.00 0.00 C ATOM 1225 CD1 TRP B 76 3.411 -8.926 -15.404 1.00 0.00 C ATOM 1226 CD2 TRP B 76 4.181 -10.504 -16.778 1.00 0.00 C ATOM 1227 NE1 TRP B 76 4.519 -9.483 -14.818 1.00 0.00 N ATOM 1228 CE2 TRP B 76 5.012 -10.454 -15.643 1.00 0.00 C ATOM 1229 CE3 TRP B 76 4.470 -11.425 -17.785 1.00 0.00 C ATOM 1230 CZ2 TRP B 76 6.111 -11.290 -15.491 1.00 0.00 C ATOM 1231 CZ3 TRP B 76 5.562 -12.251 -17.634 1.00 0.00 C ATOM 1232 CH2 TRP B 76 6.371 -12.179 -16.494 1.00 0.00 C ATOM 0 H TRP B 76 1.736 -6.658 -17.731 1.00 0.00 H new ATOM 0 HA TRP B 76 3.476 -8.620 -19.013 1.00 0.00 H new ATOM 0 HB2 TRP B 76 1.249 -8.700 -16.989 1.00 0.00 H new ATOM 0 HB3 TRP B 76 1.617 -10.148 -17.905 1.00 0.00 H new ATOM 0 HD1 TRP B 76 2.823 -8.127 -14.977 1.00 0.00 H new ATOM 0 HE1 TRP B 76 4.911 -9.216 -13.915 1.00 0.00 H new ATOM 0 HE3 TRP B 76 3.849 -11.489 -18.666 1.00 0.00 H new ATOM 0 HZ2 TRP B 76 6.736 -11.239 -14.612 1.00 0.00 H new ATOM 0 HZ3 TRP B 76 5.798 -12.966 -18.408 1.00 0.00 H new ATOM 0 HH2 TRP B 76 7.220 -12.841 -16.406 1.00 0.00 H new ATOM 1243 N THR B 77 2.130 -8.949 -21.044 1.00 0.00 N ATOM 1244 CA THR B 77 1.371 -9.293 -22.228 1.00 0.00 C ATOM 1245 C THR B 77 1.458 -10.793 -22.485 1.00 0.00 C ATOM 1246 O THR B 77 2.322 -11.467 -21.920 1.00 0.00 O ATOM 1247 CB THR B 77 1.891 -8.521 -23.453 1.00 0.00 C ATOM 1248 OG1 THR B 77 3.279 -8.828 -23.666 1.00 0.00 O ATOM 1249 CG2 THR B 77 1.722 -7.020 -23.252 1.00 0.00 C ATOM 0 H THR B 77 3.142 -8.984 -21.168 1.00 0.00 H new ATOM 0 HA THR B 77 0.330 -9.016 -22.061 1.00 0.00 H new ATOM 0 HB THR B 77 1.313 -8.823 -24.326 1.00 0.00 H new ATOM 0 HG1 THR B 77 3.607 -8.336 -24.448 1.00 0.00 H new ATOM 0 HG21 THR B 77 2.095 -6.491 -24.129 1.00 0.00 H new ATOM 0 HG22 THR B 77 0.666 -6.788 -23.111 1.00 0.00 H new ATOM 0 HG23 THR B 77 2.283 -6.705 -22.372 1.00 0.00 H new ATOM 1257 N GLY B 78 0.573 -11.304 -23.335 1.00 0.00 N ATOM 1258 CA GLY B 78 0.530 -12.731 -23.617 1.00 0.00 C ATOM 1259 C GLY B 78 1.875 -13.287 -24.052 1.00 0.00 C ATOM 1260 O GLY B 78 2.297 -14.348 -23.583 1.00 0.00 O ATOM 0 H GLY B 78 -0.121 -10.752 -23.838 1.00 0.00 H new ATOM 0 HA2 GLY B 78 0.193 -13.262 -22.727 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -0.206 -12.920 -24.399 1.00 0.00 H new ATOM 1264 N ASP B 79 2.559 -12.562 -24.928 1.00 0.00 N ATOM 1265 CA ASP B 79 3.867 -12.986 -25.420 1.00 0.00 C ATOM 1266 C ASP B 79 4.881 -13.010 -24.287 1.00 0.00 C ATOM 1267 O ASP B 79 5.681 -13.934 -24.183 1.00 0.00 O ATOM 1268 CB ASP B 79 4.375 -12.060 -26.526 1.00 0.00 C ATOM 1269 CG ASP B 79 3.464 -12.019 -27.732 1.00 0.00 C ATOM 1270 OD1 ASP B 79 2.787 -10.987 -27.931 1.00 0.00 O ATOM 1271 OD2 ASP B 79 3.429 -13.008 -28.497 1.00 0.00 O ATOM 0 H ASP B 79 2.231 -11.677 -25.314 1.00 0.00 H new ATOM 0 HA ASP B 79 3.749 -13.989 -25.829 1.00 0.00 H new ATOM 0 HB2 ASP B 79 4.483 -11.052 -26.126 1.00 0.00 H new ATOM 0 HB3 ASP B 79 5.367 -12.387 -26.838 1.00 0.00 H new ATOM 1276 N GLN B 80 4.836 -11.997 -23.429 1.00 0.00 N ATOM 1277 CA GLN B 80 5.786 -11.894 -22.330 1.00 0.00 C ATOM 1278 C GLN B 80 5.532 -12.981 -21.291 1.00 0.00 C ATOM 1279 O GLN B 80 6.464 -13.456 -20.637 1.00 0.00 O ATOM 1280 CB GLN B 80 5.721 -10.512 -21.684 1.00 0.00 C ATOM 1281 CG GLN B 80 6.730 -10.321 -20.563 1.00 0.00 C ATOM 1282 CD GLN B 80 6.703 -8.924 -19.990 1.00 0.00 C ATOM 1283 OE1 GLN B 80 7.431 -8.045 -20.440 1.00 0.00 O ATOM 1284 NE2 GLN B 80 5.865 -8.710 -18.992 1.00 0.00 N ATOM 0 H GLN B 80 4.155 -11.239 -23.473 1.00 0.00 H new ATOM 0 HA GLN B 80 6.787 -12.035 -22.737 1.00 0.00 H new ATOM 0 HB2 GLN B 80 5.890 -9.754 -22.448 1.00 0.00 H new ATOM 0 HB3 GLN B 80 4.717 -10.350 -21.291 1.00 0.00 H new ATOM 0 HG2 GLN B 80 6.526 -11.039 -19.769 1.00 0.00 H new ATOM 0 HG3 GLN B 80 7.730 -10.537 -20.939 1.00 0.00 H new ATOM 0 HE21 GLN B 80 5.277 -9.469 -18.648 1.00 0.00 H new ATOM 0 HE22 GLN B 80 5.806 -7.785 -18.565 1.00 0.00 H new ATOM 1293 N GLU B 81 4.272 -13.373 -21.139 1.00 0.00 N ATOM 1294 CA GLU B 81 3.922 -14.478 -20.256 1.00 0.00 C ATOM 1295 C GLU B 81 4.555 -15.766 -20.777 1.00 0.00 C ATOM 1296 O GLU B 81 5.022 -16.605 -20.001 1.00 0.00 O ATOM 1297 CB GLU B 81 2.400 -14.630 -20.144 1.00 0.00 C ATOM 1298 CG GLU B 81 1.701 -13.377 -19.637 1.00 0.00 C ATOM 1299 CD GLU B 81 0.217 -13.578 -19.403 1.00 0.00 C ATOM 1300 OE1 GLU B 81 -0.227 -13.453 -18.240 1.00 0.00 O ATOM 1301 OE2 GLU B 81 -0.510 -13.867 -20.372 1.00 0.00 O ATOM 0 H GLU B 81 3.478 -12.943 -21.614 1.00 0.00 H new ATOM 0 HA GLU B 81 4.307 -14.268 -19.258 1.00 0.00 H new ATOM 0 HB2 GLU B 81 1.996 -14.891 -21.122 1.00 0.00 H new ATOM 0 HB3 GLU B 81 2.174 -15.459 -19.474 1.00 0.00 H new ATOM 0 HG2 GLU B 81 2.170 -13.058 -18.706 1.00 0.00 H new ATOM 0 HG3 GLU B 81 1.843 -12.572 -20.358 1.00 0.00 H new ATOM 1308 N LEU B 82 4.594 -15.896 -22.098 1.00 0.00 N ATOM 1309 CA LEU B 82 5.258 -17.022 -22.734 1.00 0.00 C ATOM 1310 C LEU B 82 6.769 -16.916 -22.554 1.00 0.00 C ATOM 1311 O LEU B 82 7.436 -17.912 -22.280 1.00 0.00 O ATOM 1312 CB LEU B 82 4.931 -17.080 -24.224 1.00 0.00 C ATOM 1313 CG LEU B 82 5.625 -18.211 -24.983 1.00 0.00 C ATOM 1314 CD1 LEU B 82 4.957 -19.548 -24.702 1.00 0.00 C ATOM 1315 CD2 LEU B 82 5.654 -17.918 -26.468 1.00 0.00 C ATOM 0 H LEU B 82 4.172 -15.233 -22.748 1.00 0.00 H new ATOM 0 HA LEU B 82 4.897 -17.934 -22.258 1.00 0.00 H new ATOM 0 HB2 LEU B 82 3.853 -17.188 -24.342 1.00 0.00 H new ATOM 0 HB3 LEU B 82 5.208 -16.130 -24.681 1.00 0.00 H new ATOM 0 HG LEU B 82 6.654 -18.275 -24.630 1.00 0.00 H new ATOM 0 HD11 LEU B 82 5.471 -20.335 -25.255 1.00 0.00 H new ATOM 0 HD12 LEU B 82 5.007 -19.762 -23.634 1.00 0.00 H new ATOM 0 HD13 LEU B 82 3.914 -19.507 -25.015 1.00 0.00 H new ATOM 0 HD21 LEU B 82 6.152 -18.735 -26.990 1.00 0.00 H new ATOM 0 HD22 LEU B 82 4.634 -17.818 -26.839 1.00 0.00 H new ATOM 0 HD23 LEU B 82 6.197 -16.990 -26.645 1.00 0.00 H new ATOM 1327 N GLU B 83 7.294 -15.705 -22.721 1.00 0.00 N ATOM 1328 CA GLU B 83 8.716 -15.447 -22.522 1.00 0.00 C ATOM 1329 C GLU B 83 9.133 -15.853 -21.119 1.00 0.00 C ATOM 1330 O GLU B 83 10.173 -16.480 -20.925 1.00 0.00 O ATOM 1331 CB GLU B 83 9.032 -13.968 -22.757 1.00 0.00 C ATOM 1332 CG GLU B 83 8.858 -13.531 -24.201 1.00 0.00 C ATOM 1333 CD GLU B 83 9.753 -14.300 -25.147 1.00 0.00 C ATOM 1334 OE1 GLU B 83 9.395 -15.431 -25.522 1.00 0.00 O ATOM 1335 OE2 GLU B 83 10.817 -13.771 -25.524 1.00 0.00 O ATOM 0 H GLU B 83 6.753 -14.885 -22.995 1.00 0.00 H new ATOM 0 HA GLU B 83 9.278 -16.041 -23.243 1.00 0.00 H new ATOM 0 HB2 GLU B 83 8.386 -13.362 -22.122 1.00 0.00 H new ATOM 0 HB3 GLU B 83 10.058 -13.771 -22.448 1.00 0.00 H new ATOM 0 HG2 GLU B 83 7.818 -13.668 -24.497 1.00 0.00 H new ATOM 0 HG3 GLU B 83 9.075 -12.466 -24.284 1.00 0.00 H new ATOM 1342 N LEU B 84 8.305 -15.499 -20.144 1.00 0.00 N ATOM 1343 CA LEU B 84 8.527 -15.907 -18.767 1.00 0.00 C ATOM 1344 C LEU B 84 8.595 -17.422 -18.680 1.00 0.00 C ATOM 1345 O LEU B 84 9.559 -17.977 -18.163 1.00 0.00 O ATOM 1346 CB LEU B 84 7.407 -15.390 -17.861 1.00 0.00 C ATOM 1347 CG LEU B 84 7.470 -15.870 -16.409 1.00 0.00 C ATOM 1348 CD1 LEU B 84 8.719 -15.338 -15.723 1.00 0.00 C ATOM 1349 CD2 LEU B 84 6.217 -15.454 -15.654 1.00 0.00 C ATOM 0 H LEU B 84 7.471 -14.928 -20.285 1.00 0.00 H new ATOM 0 HA LEU B 84 9.472 -15.481 -18.431 1.00 0.00 H new ATOM 0 HB2 LEU B 84 7.430 -14.300 -17.868 1.00 0.00 H new ATOM 0 HB3 LEU B 84 6.449 -15.692 -18.285 1.00 0.00 H new ATOM 0 HG LEU B 84 7.521 -16.959 -16.408 1.00 0.00 H new ATOM 0 HD11 LEU B 84 8.746 -15.690 -14.692 1.00 0.00 H new ATOM 0 HD12 LEU B 84 9.604 -15.694 -16.251 1.00 0.00 H new ATOM 0 HD13 LEU B 84 8.704 -14.248 -15.734 1.00 0.00 H new ATOM 0 HD21 LEU B 84 6.280 -15.804 -14.624 1.00 0.00 H new ATOM 0 HD22 LEU B 84 6.130 -14.367 -15.663 1.00 0.00 H new ATOM 0 HD23 LEU B 84 5.341 -15.892 -16.133 1.00 0.00 H new ATOM 1361 N GLN B 85 7.570 -18.073 -19.215 1.00 0.00 N ATOM 1362 CA GLN B 85 7.463 -19.526 -19.172 1.00 0.00 C ATOM 1363 C GLN B 85 8.662 -20.193 -19.844 1.00 0.00 C ATOM 1364 O GLN B 85 9.270 -21.093 -19.273 1.00 0.00 O ATOM 1365 CB GLN B 85 6.157 -19.971 -19.842 1.00 0.00 C ATOM 1366 CG GLN B 85 5.880 -21.468 -19.746 1.00 0.00 C ATOM 1367 CD GLN B 85 5.906 -22.169 -21.092 1.00 0.00 C ATOM 1368 OE1 GLN B 85 5.183 -23.143 -21.314 1.00 0.00 O ATOM 1369 NE2 GLN B 85 6.746 -21.697 -21.999 1.00 0.00 N ATOM 0 H GLN B 85 6.793 -17.612 -19.689 1.00 0.00 H new ATOM 0 HA GLN B 85 7.455 -19.837 -18.127 1.00 0.00 H new ATOM 0 HB2 GLN B 85 5.327 -19.430 -19.388 1.00 0.00 H new ATOM 0 HB3 GLN B 85 6.186 -19.686 -20.894 1.00 0.00 H new ATOM 0 HG2 GLN B 85 6.620 -21.927 -19.091 1.00 0.00 H new ATOM 0 HG3 GLN B 85 4.905 -21.622 -19.283 1.00 0.00 H new ATOM 0 HE21 GLN B 85 7.330 -20.889 -21.782 1.00 0.00 H new ATOM 0 HE22 GLN B 85 6.810 -22.141 -22.915 1.00 0.00 H new ATOM 1378 N ARG B 86 9.005 -19.741 -21.050 1.00 0.00 N ATOM 1379 CA ARG B 86 10.102 -20.347 -21.802 1.00 0.00 C ATOM 1380 C ARG B 86 11.429 -20.212 -21.059 1.00 0.00 C ATOM 1381 O ARG B 86 12.113 -21.209 -20.831 1.00 0.00 O ATOM 1382 CB ARG B 86 10.206 -19.761 -23.218 1.00 0.00 C ATOM 1383 CG ARG B 86 9.044 -20.163 -24.115 1.00 0.00 C ATOM 1384 CD ARG B 86 9.372 -20.017 -25.598 1.00 0.00 C ATOM 1385 NE ARG B 86 9.450 -18.621 -26.030 1.00 0.00 N ATOM 1386 CZ ARG B 86 9.465 -18.243 -27.309 1.00 0.00 C ATOM 1387 NH1 ARG B 86 9.410 -19.148 -28.280 1.00 0.00 N ATOM 1388 NH2 ARG B 86 9.523 -16.956 -27.617 1.00 0.00 N ATOM 0 H ARG B 86 8.543 -18.964 -21.523 1.00 0.00 H new ATOM 0 HA ARG B 86 9.878 -21.410 -21.897 1.00 0.00 H new ATOM 0 HB2 ARG B 86 10.248 -18.674 -23.153 1.00 0.00 H new ATOM 0 HB3 ARG B 86 11.140 -20.090 -23.674 1.00 0.00 H new ATOM 0 HG2 ARG B 86 8.770 -21.197 -23.907 1.00 0.00 H new ATOM 0 HG3 ARG B 86 8.176 -19.549 -23.876 1.00 0.00 H new ATOM 0 HD2 ARG B 86 10.322 -20.510 -25.805 1.00 0.00 H new ATOM 0 HD3 ARG B 86 8.612 -20.532 -26.185 1.00 0.00 H new ATOM 0 HE ARG B 86 9.495 -17.897 -25.313 1.00 0.00 H new ATOM 0 HH11 ARG B 86 9.356 -20.140 -28.050 1.00 0.00 H new ATOM 0 HH12 ARG B 86 9.422 -18.851 -29.256 1.00 0.00 H new ATOM 0 HH21 ARG B 86 9.556 -16.255 -26.876 1.00 0.00 H new ATOM 0 HH22 ARG B 86 9.535 -16.666 -28.595 1.00 0.00 H new ATOM 1402 N LEU B 87 11.774 -18.989 -20.655 1.00 0.00 N ATOM 1403 CA LEU B 87 13.026 -18.750 -19.931 1.00 0.00 C ATOM 1404 C LEU B 87 13.054 -19.509 -18.608 1.00 0.00 C ATOM 1405 O LEU B 87 14.081 -20.067 -18.225 1.00 0.00 O ATOM 1406 CB LEU B 87 13.232 -17.260 -19.657 1.00 0.00 C ATOM 1407 CG LEU B 87 13.960 -16.475 -20.749 1.00 0.00 C ATOM 1408 CD1 LEU B 87 13.096 -16.308 -21.987 1.00 0.00 C ATOM 1409 CD2 LEU B 87 14.397 -15.128 -20.206 1.00 0.00 C ATOM 0 H LEU B 87 11.210 -18.154 -20.814 1.00 0.00 H new ATOM 0 HA LEU B 87 13.834 -19.112 -20.568 1.00 0.00 H new ATOM 0 HB2 LEU B 87 12.256 -16.802 -19.496 1.00 0.00 H new ATOM 0 HB3 LEU B 87 13.791 -17.155 -18.727 1.00 0.00 H new ATOM 0 HG LEU B 87 14.842 -17.040 -21.049 1.00 0.00 H new ATOM 0 HD11 LEU B 87 13.646 -15.745 -22.741 1.00 0.00 H new ATOM 0 HD12 LEU B 87 12.836 -17.289 -22.384 1.00 0.00 H new ATOM 0 HD13 LEU B 87 12.185 -15.769 -21.725 1.00 0.00 H new ATOM 0 HD21 LEU B 87 14.915 -14.572 -20.987 1.00 0.00 H new ATOM 0 HD22 LEU B 87 13.522 -14.566 -19.880 1.00 0.00 H new ATOM 0 HD23 LEU B 87 15.068 -15.277 -19.360 1.00 0.00 H new ATOM 1421 N PHE B 88 11.921 -19.508 -17.917 1.00 0.00 N ATOM 1422 CA PHE B 88 11.765 -20.208 -16.653 1.00 0.00 C ATOM 1423 C PHE B 88 12.195 -21.668 -16.759 1.00 0.00 C ATOM 1424 O PHE B 88 12.871 -22.188 -15.876 1.00 0.00 O ATOM 1425 CB PHE B 88 10.306 -20.094 -16.205 1.00 0.00 C ATOM 1426 CG PHE B 88 9.895 -21.078 -15.158 1.00 0.00 C ATOM 1427 CD1 PHE B 88 9.015 -22.097 -15.474 1.00 0.00 C ATOM 1428 CD2 PHE B 88 10.381 -20.987 -13.867 1.00 0.00 C ATOM 1429 CE1 PHE B 88 8.623 -23.008 -14.521 1.00 0.00 C ATOM 1430 CE2 PHE B 88 9.993 -21.898 -12.908 1.00 0.00 C ATOM 1431 CZ PHE B 88 9.114 -22.909 -13.236 1.00 0.00 C ATOM 0 H PHE B 88 11.080 -19.017 -18.222 1.00 0.00 H new ATOM 0 HA PHE B 88 12.414 -19.747 -15.909 1.00 0.00 H new ATOM 0 HB2 PHE B 88 10.135 -19.087 -15.825 1.00 0.00 H new ATOM 0 HB3 PHE B 88 9.662 -20.220 -17.075 1.00 0.00 H new ATOM 0 HD1 PHE B 88 8.631 -22.178 -16.480 1.00 0.00 H new ATOM 0 HD2 PHE B 88 11.070 -20.196 -13.608 1.00 0.00 H new ATOM 0 HE1 PHE B 88 7.933 -23.798 -14.778 1.00 0.00 H new ATOM 0 HE2 PHE B 88 10.377 -21.820 -11.901 1.00 0.00 H new ATOM 0 HZ PHE B 88 8.810 -23.624 -12.486 1.00 0.00 H new ATOM 1441 N GLU B 89 11.812 -22.319 -17.841 1.00 0.00 N ATOM 1442 CA GLU B 89 12.176 -23.708 -18.060 1.00 0.00 C ATOM 1443 C GLU B 89 13.598 -23.816 -18.595 1.00 0.00 C ATOM 1444 O GLU B 89 14.342 -24.726 -18.229 1.00 0.00 O ATOM 1445 CB GLU B 89 11.211 -24.340 -19.049 1.00 0.00 C ATOM 1446 CG GLU B 89 9.757 -24.144 -18.678 1.00 0.00 C ATOM 1447 CD GLU B 89 8.819 -24.675 -19.741 1.00 0.00 C ATOM 1448 OE1 GLU B 89 8.867 -24.183 -20.888 1.00 0.00 O ATOM 1449 OE2 GLU B 89 8.036 -25.602 -19.439 1.00 0.00 O ATOM 0 H GLU B 89 11.247 -21.908 -18.584 1.00 0.00 H new ATOM 0 HA GLU B 89 12.122 -24.234 -17.107 1.00 0.00 H new ATOM 0 HB2 GLU B 89 11.386 -23.916 -20.038 1.00 0.00 H new ATOM 0 HB3 GLU B 89 11.420 -25.408 -19.118 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.554 -24.647 -17.733 1.00 0.00 H new ATOM 0 HG3 GLU B 89 9.563 -23.083 -18.522 1.00 0.00 H new ATOM 1456 N GLU B 90 13.974 -22.869 -19.446 1.00 0.00 N ATOM 1457 CA GLU B 90 15.271 -22.900 -20.106 1.00 0.00 C ATOM 1458 C GLU B 90 16.403 -22.729 -19.102 1.00 0.00 C ATOM 1459 O GLU B 90 17.421 -23.415 -19.175 1.00 0.00 O ATOM 1460 CB GLU B 90 15.333 -21.812 -21.173 1.00 0.00 C ATOM 1461 CG GLU B 90 14.573 -22.159 -22.441 1.00 0.00 C ATOM 1462 CD GLU B 90 14.708 -21.094 -23.507 1.00 0.00 C ATOM 1463 OE1 GLU B 90 15.404 -21.343 -24.517 1.00 0.00 O ATOM 1464 OE2 GLU B 90 14.127 -20.004 -23.344 1.00 0.00 O ATOM 0 H GLU B 90 13.395 -22.067 -19.695 1.00 0.00 H new ATOM 0 HA GLU B 90 15.394 -23.873 -20.581 1.00 0.00 H new ATOM 0 HB2 GLU B 90 14.931 -20.887 -20.760 1.00 0.00 H new ATOM 0 HB3 GLU B 90 16.376 -21.621 -21.425 1.00 0.00 H new ATOM 0 HG2 GLU B 90 14.939 -23.108 -22.832 1.00 0.00 H new ATOM 0 HG3 GLU B 90 13.519 -22.298 -22.202 1.00 0.00 H new ATOM 1471 N PHE B 91 16.218 -21.828 -18.153 1.00 0.00 N ATOM 1472 CA PHE B 91 17.232 -21.573 -17.143 1.00 0.00 C ATOM 1473 C PHE B 91 16.906 -22.302 -15.845 1.00 0.00 C ATOM 1474 O PHE B 91 17.501 -22.024 -14.804 1.00 0.00 O ATOM 1475 CB PHE B 91 17.363 -20.073 -16.876 1.00 0.00 C ATOM 1476 CG PHE B 91 17.875 -19.291 -18.052 1.00 0.00 C ATOM 1477 CD1 PHE B 91 19.221 -19.325 -18.388 1.00 0.00 C ATOM 1478 CD2 PHE B 91 17.019 -18.512 -18.815 1.00 0.00 C ATOM 1479 CE1 PHE B 91 19.701 -18.595 -19.457 1.00 0.00 C ATOM 1480 CE2 PHE B 91 17.494 -17.782 -19.888 1.00 0.00 C ATOM 1481 CZ PHE B 91 18.837 -17.825 -20.210 1.00 0.00 C ATOM 0 H PHE B 91 15.376 -21.261 -18.060 1.00 0.00 H new ATOM 0 HA PHE B 91 18.181 -21.949 -17.524 1.00 0.00 H new ATOM 0 HB2 PHE B 91 16.389 -19.679 -16.585 1.00 0.00 H new ATOM 0 HB3 PHE B 91 18.034 -19.921 -16.030 1.00 0.00 H new ATOM 0 HD1 PHE B 91 19.901 -19.930 -17.806 1.00 0.00 H new ATOM 0 HD2 PHE B 91 15.968 -18.475 -18.568 1.00 0.00 H new ATOM 0 HE1 PHE B 91 20.752 -18.626 -19.704 1.00 0.00 H new ATOM 0 HE2 PHE B 91 16.816 -17.179 -20.474 1.00 0.00 H new ATOM 0 HZ PHE B 91 19.210 -17.257 -21.049 1.00 0.00 H new ATOM 1491 N ARG B 92 15.980 -23.251 -15.908 1.00 0.00 N ATOM 1492 CA ARG B 92 15.554 -23.967 -14.710 1.00 0.00 C ATOM 1493 C ARG B 92 16.649 -24.887 -14.194 1.00 0.00 C ATOM 1494 O ARG B 92 16.736 -25.158 -12.997 1.00 0.00 O ATOM 1495 CB ARG B 92 14.270 -24.758 -14.961 1.00 0.00 C ATOM 1496 CG ARG B 92 13.778 -25.492 -13.727 1.00 0.00 C ATOM 1497 CD ARG B 92 12.350 -25.975 -13.877 1.00 0.00 C ATOM 1498 NE ARG B 92 11.902 -26.685 -12.676 1.00 0.00 N ATOM 1499 CZ ARG B 92 10.636 -26.731 -12.266 1.00 0.00 C ATOM 1500 NH1 ARG B 92 9.684 -26.169 -12.994 1.00 0.00 N ATOM 1501 NH2 ARG B 92 10.317 -27.353 -11.136 1.00 0.00 N ATOM 0 H ARG B 92 15.513 -23.541 -16.767 1.00 0.00 H new ATOM 0 HA ARG B 92 15.350 -23.218 -13.945 1.00 0.00 H new ATOM 0 HB2 ARG B 92 13.492 -24.078 -15.307 1.00 0.00 H new ATOM 0 HB3 ARG B 92 14.443 -25.478 -15.761 1.00 0.00 H new ATOM 0 HG2 ARG B 92 14.429 -26.344 -13.530 1.00 0.00 H new ATOM 0 HG3 ARG B 92 13.847 -24.832 -12.862 1.00 0.00 H new ATOM 0 HD2 ARG B 92 11.694 -25.125 -14.066 1.00 0.00 H new ATOM 0 HD3 ARG B 92 12.275 -26.634 -14.742 1.00 0.00 H new ATOM 0 HE ARG B 92 12.603 -27.174 -12.120 1.00 0.00 H new ATOM 0 HH11 ARG B 92 9.920 -25.701 -13.869 1.00 0.00 H new ATOM 0 HH12 ARG B 92 8.714 -26.204 -12.680 1.00 0.00 H new ATOM 0 HH21 ARG B 92 11.044 -27.799 -10.577 1.00 0.00 H new ATOM 0 HH22 ARG B 92 9.345 -27.384 -10.828 1.00 0.00 H new ATOM 1515 N ASP B 93 17.504 -25.340 -15.091 1.00 0.00 N ATOM 1516 CA ASP B 93 18.563 -26.265 -14.718 1.00 0.00 C ATOM 1517 C ASP B 93 19.804 -25.513 -14.231 1.00 0.00 C ATOM 1518 O ASP B 93 20.874 -26.093 -14.069 1.00 0.00 O ATOM 1519 CB ASP B 93 18.901 -27.187 -15.893 1.00 0.00 C ATOM 1520 CG ASP B 93 19.817 -28.333 -15.495 1.00 0.00 C ATOM 1521 OD1 ASP B 93 19.576 -28.952 -14.439 1.00 0.00 O ATOM 1522 OD2 ASP B 93 20.776 -28.627 -16.244 1.00 0.00 O ATOM 0 H ASP B 93 17.489 -25.086 -16.079 1.00 0.00 H new ATOM 0 HA ASP B 93 18.207 -26.880 -13.891 1.00 0.00 H new ATOM 0 HB2 ASP B 93 17.978 -27.592 -16.309 1.00 0.00 H new ATOM 0 HB3 ASP B 93 19.377 -26.604 -16.682 1.00 0.00 H new ATOM 1527 N SER B 94 19.653 -24.222 -13.961 1.00 0.00 N ATOM 1528 CA SER B 94 20.759 -23.438 -13.436 1.00 0.00 C ATOM 1529 C SER B 94 20.546 -23.184 -11.946 1.00 0.00 C ATOM 1530 O SER B 94 19.579 -23.675 -11.362 1.00 0.00 O ATOM 1531 CB SER B 94 20.911 -22.114 -14.200 1.00 0.00 C ATOM 1532 OG SER B 94 19.847 -21.220 -13.923 1.00 0.00 O ATOM 0 H SER B 94 18.786 -23.703 -14.096 1.00 0.00 H new ATOM 0 HA SER B 94 21.682 -24.001 -13.572 1.00 0.00 H new ATOM 0 HB2 SER B 94 21.858 -21.646 -13.931 1.00 0.00 H new ATOM 0 HB3 SER B 94 20.947 -22.315 -15.271 1.00 0.00 H new ATOM 0 HG SER B 94 19.118 -21.371 -14.561 1.00 0.00 H new ATOM 1538 N ASP B 95 21.447 -22.427 -11.335 1.00 0.00 N ATOM 1539 CA ASP B 95 21.393 -22.177 -9.898 1.00 0.00 C ATOM 1540 C ASP B 95 20.176 -21.336 -9.523 1.00 0.00 C ATOM 1541 O ASP B 95 19.501 -21.610 -8.527 1.00 0.00 O ATOM 1542 CB ASP B 95 22.674 -21.475 -9.445 1.00 0.00 C ATOM 1543 CG ASP B 95 22.686 -21.173 -7.960 1.00 0.00 C ATOM 1544 OD1 ASP B 95 22.358 -20.032 -7.576 1.00 0.00 O ATOM 1545 OD2 ASP B 95 23.032 -22.076 -7.170 1.00 0.00 O ATOM 0 H ASP B 95 22.226 -21.974 -11.812 1.00 0.00 H new ATOM 0 HA ASP B 95 21.305 -23.138 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP B 95 23.532 -22.101 -9.690 1.00 0.00 H new ATOM 0 HB3 ASP B 95 22.789 -20.545 -10.001 1.00 0.00 H new ATOM 1550 N ASP B 96 19.893 -20.329 -10.337 1.00 0.00 N ATOM 1551 CA ASP B 96 18.799 -19.405 -10.069 1.00 0.00 C ATOM 1552 C ASP B 96 18.081 -19.070 -11.369 1.00 0.00 C ATOM 1553 O ASP B 96 18.676 -18.491 -12.279 1.00 0.00 O ATOM 1554 CB ASP B 96 19.344 -18.123 -9.424 1.00 0.00 C ATOM 1555 CG ASP B 96 18.255 -17.169 -8.968 1.00 0.00 C ATOM 1556 OD1 ASP B 96 17.355 -16.845 -9.763 1.00 0.00 O ATOM 1557 OD2 ASP B 96 18.315 -16.713 -7.806 1.00 0.00 O ATOM 0 H ASP B 96 20.409 -20.130 -11.194 1.00 0.00 H new ATOM 0 HA ASP B 96 18.094 -19.873 -9.382 1.00 0.00 H new ATOM 0 HB2 ASP B 96 19.964 -18.391 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP B 96 19.989 -17.612 -10.138 1.00 0.00 H new ATOM 1562 N VAL B 97 16.808 -19.435 -11.459 1.00 0.00 N ATOM 1563 CA VAL B 97 16.038 -19.190 -12.671 1.00 0.00 C ATOM 1564 C VAL B 97 15.753 -17.704 -12.850 1.00 0.00 C ATOM 1565 O VAL B 97 16.073 -17.118 -13.885 1.00 0.00 O ATOM 1566 CB VAL B 97 14.692 -19.944 -12.669 1.00 0.00 C ATOM 1567 CG1 VAL B 97 13.961 -19.732 -13.982 1.00 0.00 C ATOM 1568 CG2 VAL B 97 14.895 -21.423 -12.412 1.00 0.00 C ATOM 0 H VAL B 97 16.290 -19.899 -10.712 1.00 0.00 H new ATOM 0 HA VAL B 97 16.649 -19.557 -13.495 1.00 0.00 H new ATOM 0 HB VAL B 97 14.083 -19.540 -11.860 1.00 0.00 H new ATOM 0 HG11 VAL B 97 13.014 -20.271 -13.962 1.00 0.00 H new ATOM 0 HG12 VAL B 97 13.770 -18.668 -14.125 1.00 0.00 H new ATOM 0 HG13 VAL B 97 14.573 -20.104 -14.803 1.00 0.00 H new ATOM 0 HG21 VAL B 97 13.930 -21.929 -12.416 1.00 0.00 H new ATOM 0 HG22 VAL B 97 15.529 -21.844 -13.192 1.00 0.00 H new ATOM 0 HG23 VAL B 97 15.373 -21.562 -11.442 1.00 0.00 H new ATOM 1578 N LEU B 98 15.169 -17.102 -11.820 1.00 0.00 N ATOM 1579 CA LEU B 98 14.706 -15.721 -11.890 1.00 0.00 C ATOM 1580 C LEU B 98 15.827 -14.755 -12.212 1.00 0.00 C ATOM 1581 O LEU B 98 15.627 -13.803 -12.970 1.00 0.00 O ATOM 1582 CB LEU B 98 14.051 -15.301 -10.584 1.00 0.00 C ATOM 1583 CG LEU B 98 12.580 -15.653 -10.438 1.00 0.00 C ATOM 1584 CD1 LEU B 98 12.387 -17.129 -10.152 1.00 0.00 C ATOM 1585 CD2 LEU B 98 11.954 -14.809 -9.348 1.00 0.00 C ATOM 0 H LEU B 98 15.004 -17.553 -10.920 1.00 0.00 H new ATOM 0 HA LEU B 98 13.976 -15.683 -12.699 1.00 0.00 H new ATOM 0 HB2 LEU B 98 14.598 -15.760 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU B 98 14.159 -14.222 -10.476 1.00 0.00 H new ATOM 0 HG LEU B 98 12.083 -15.438 -11.384 1.00 0.00 H new ATOM 0 HD11 LEU B 98 11.323 -17.344 -10.054 1.00 0.00 H new ATOM 0 HD12 LEU B 98 12.802 -17.716 -10.972 1.00 0.00 H new ATOM 0 HD13 LEU B 98 12.897 -17.390 -9.225 1.00 0.00 H new ATOM 0 HD21 LEU B 98 10.900 -15.067 -9.249 1.00 0.00 H new ATOM 0 HD22 LEU B 98 12.464 -14.998 -8.403 1.00 0.00 H new ATOM 0 HD23 LEU B 98 12.047 -13.754 -9.606 1.00 0.00 H new ATOM 1597 N GLY B 99 16.993 -14.990 -11.628 1.00 0.00 N ATOM 1598 CA GLY B 99 18.139 -14.150 -11.893 1.00 0.00 C ATOM 1599 C GLY B 99 18.459 -14.097 -13.369 1.00 0.00 C ATOM 1600 O GLY B 99 18.769 -13.040 -13.909 1.00 0.00 O ATOM 0 H GLY B 99 17.165 -15.752 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY B 99 17.945 -13.142 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY B 99 19.003 -14.528 -11.346 1.00 0.00 H new ATOM 1604 N HIS B 100 18.330 -15.233 -14.035 1.00 0.00 N ATOM 1605 CA HIS B 100 18.633 -15.311 -15.454 1.00 0.00 C ATOM 1606 C HIS B 100 17.463 -14.792 -16.273 1.00 0.00 C ATOM 1607 O HIS B 100 17.644 -14.298 -17.388 1.00 0.00 O ATOM 1608 CB HIS B 100 18.976 -16.742 -15.869 1.00 0.00 C ATOM 1609 CG HIS B 100 20.344 -17.181 -15.444 1.00 0.00 C ATOM 1610 ND1 HIS B 100 21.454 -17.076 -16.256 1.00 0.00 N ATOM 1611 CD2 HIS B 100 20.779 -17.730 -14.287 1.00 0.00 C ATOM 1612 CE1 HIS B 100 22.510 -17.544 -15.615 1.00 0.00 C ATOM 1613 NE2 HIS B 100 22.127 -17.944 -14.419 1.00 0.00 N ATOM 0 H HIS B 100 18.019 -16.110 -13.618 1.00 0.00 H new ATOM 0 HA HIS B 100 19.505 -14.686 -15.646 1.00 0.00 H new ATOM 0 HB2 HIS B 100 18.238 -17.421 -15.443 1.00 0.00 H new ATOM 0 HB3 HIS B 100 18.898 -16.825 -16.953 1.00 0.00 H new ATOM 0 HD2 HIS B 100 20.176 -17.958 -13.420 1.00 0.00 H new ATOM 0 HE1 HIS B 100 23.516 -17.591 -16.005 1.00 0.00 H new ATOM 0 HE2 HIS B 100 22.735 -18.348 -13.707 1.00 0.00 H new ATOM 1622 N ILE B 101 16.264 -14.903 -15.710 1.00 0.00 N ATOM 1623 CA ILE B 101 15.065 -14.387 -16.351 1.00 0.00 C ATOM 1624 C ILE B 101 15.177 -12.882 -16.561 1.00 0.00 C ATOM 1625 O ILE B 101 15.178 -12.409 -17.695 1.00 0.00 O ATOM 1626 CB ILE B 101 13.785 -14.698 -15.532 1.00 0.00 C ATOM 1627 CG1 ILE B 101 13.512 -16.204 -15.520 1.00 0.00 C ATOM 1628 CG2 ILE B 101 12.588 -13.951 -16.105 1.00 0.00 C ATOM 1629 CD1 ILE B 101 12.250 -16.586 -14.773 1.00 0.00 C ATOM 0 H ILE B 101 16.099 -15.348 -14.807 1.00 0.00 H new ATOM 0 HA ILE B 101 14.981 -14.889 -17.315 1.00 0.00 H new ATOM 0 HB ILE B 101 13.944 -14.363 -14.507 1.00 0.00 H new ATOM 0 HG12 ILE B 101 13.438 -16.559 -16.548 1.00 0.00 H new ATOM 0 HG13 ILE B 101 14.361 -16.715 -15.067 1.00 0.00 H new ATOM 0 HG21 ILE B 101 11.700 -14.182 -15.517 1.00 0.00 H new ATOM 0 HG22 ILE B 101 12.778 -12.878 -16.070 1.00 0.00 H new ATOM 0 HG23 ILE B 101 12.429 -14.257 -17.139 1.00 0.00 H new ATOM 0 HD11 ILE B 101 12.121 -17.668 -14.806 1.00 0.00 H new ATOM 0 HD12 ILE B 101 12.329 -16.262 -13.735 1.00 0.00 H new ATOM 0 HD13 ILE B 101 11.391 -16.104 -15.239 1.00 0.00 H new ATOM 1641 N MET B 102 15.306 -12.141 -15.466 1.00 0.00 N ATOM 1642 CA MET B 102 15.326 -10.682 -15.532 1.00 0.00 C ATOM 1643 C MET B 102 16.546 -10.158 -16.286 1.00 0.00 C ATOM 1644 O MET B 102 16.493 -9.077 -16.873 1.00 0.00 O ATOM 1645 CB MET B 102 15.258 -10.049 -14.135 1.00 0.00 C ATOM 1646 CG MET B 102 16.107 -10.746 -13.084 1.00 0.00 C ATOM 1647 SD MET B 102 16.701 -9.625 -11.800 1.00 0.00 S ATOM 1648 CE MET B 102 15.152 -8.976 -11.179 1.00 0.00 C ATOM 0 H MET B 102 15.398 -12.523 -14.525 1.00 0.00 H new ATOM 0 HA MET B 102 14.435 -10.389 -16.087 1.00 0.00 H new ATOM 0 HB2 MET B 102 15.573 -9.008 -14.206 1.00 0.00 H new ATOM 0 HB3 MET B 102 14.220 -10.046 -13.802 1.00 0.00 H new ATOM 0 HG2 MET B 102 15.523 -11.542 -12.622 1.00 0.00 H new ATOM 0 HG3 MET B 102 16.961 -11.218 -13.570 1.00 0.00 H new ATOM 0 HE1 MET B 102 15.288 -8.626 -10.156 1.00 0.00 H new ATOM 0 HE2 MET B 102 14.828 -8.146 -11.806 1.00 0.00 H new ATOM 0 HE3 MET B 102 14.396 -9.761 -11.196 1.00 0.00 H new ATOM 1658 N LYS B 103 17.638 -10.917 -16.279 1.00 0.00 N ATOM 1659 CA LYS B 103 18.845 -10.510 -16.996 1.00 0.00 C ATOM 1660 C LYS B 103 18.666 -10.642 -18.506 1.00 0.00 C ATOM 1661 O LYS B 103 19.085 -9.766 -19.262 1.00 0.00 O ATOM 1662 CB LYS B 103 20.056 -11.339 -16.557 1.00 0.00 C ATOM 1663 CG LYS B 103 20.531 -11.066 -15.137 1.00 0.00 C ATOM 1664 CD LYS B 103 21.197 -9.706 -14.997 1.00 0.00 C ATOM 1665 CE LYS B 103 21.750 -9.515 -13.592 1.00 0.00 C ATOM 1666 NZ LYS B 103 22.468 -8.223 -13.437 1.00 0.00 N ATOM 0 H LYS B 103 17.714 -11.809 -15.790 1.00 0.00 H new ATOM 0 HA LYS B 103 19.021 -9.463 -16.751 1.00 0.00 H new ATOM 0 HB2 LYS B 103 19.807 -12.396 -16.646 1.00 0.00 H new ATOM 0 HB3 LYS B 103 20.880 -11.147 -17.245 1.00 0.00 H new ATOM 0 HG2 LYS B 103 19.682 -11.123 -14.456 1.00 0.00 H new ATOM 0 HG3 LYS B 103 21.233 -11.844 -14.836 1.00 0.00 H new ATOM 0 HD2 LYS B 103 22.003 -9.614 -15.725 1.00 0.00 H new ATOM 0 HD3 LYS B 103 20.476 -8.919 -15.219 1.00 0.00 H new ATOM 0 HE2 LYS B 103 20.932 -9.562 -12.873 1.00 0.00 H new ATOM 0 HE3 LYS B 103 22.428 -10.335 -13.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 22.826 -8.139 -12.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 23.265 -8.187 -14.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 21.816 -7.437 -13.635 1.00 0.00 H new ATOM 1680 N ASN B 104 18.028 -11.722 -18.945 1.00 0.00 N ATOM 1681 CA ASN B 104 17.970 -12.039 -20.371 1.00 0.00 C ATOM 1682 C ASN B 104 16.694 -11.517 -21.037 1.00 0.00 C ATOM 1683 O ASN B 104 16.612 -11.453 -22.264 1.00 0.00 O ATOM 1684 CB ASN B 104 18.097 -13.554 -20.572 1.00 0.00 C ATOM 1685 CG ASN B 104 18.140 -13.957 -22.037 1.00 0.00 C ATOM 1686 OD1 ASN B 104 19.195 -13.912 -22.672 1.00 0.00 O ATOM 1687 ND2 ASN B 104 17.009 -14.383 -22.575 1.00 0.00 N ATOM 0 H ASN B 104 17.547 -12.389 -18.341 1.00 0.00 H new ATOM 0 HA ASN B 104 18.807 -11.533 -20.853 1.00 0.00 H new ATOM 0 HB2 ASN B 104 19.002 -13.906 -20.077 1.00 0.00 H new ATOM 0 HB3 ASN B 104 17.256 -14.051 -20.089 1.00 0.00 H new ATOM 0 HD21 ASN B 104 16.990 -14.689 -23.548 1.00 0.00 H new ATOM 0 HD22 ASN B 104 16.156 -14.406 -22.017 1.00 0.00 H new ATOM 1694 N ILE B 105 15.704 -11.121 -20.249 1.00 0.00 N ATOM 1695 CA ILE B 105 14.451 -10.659 -20.832 1.00 0.00 C ATOM 1696 C ILE B 105 14.486 -9.157 -21.078 1.00 0.00 C ATOM 1697 O ILE B 105 15.136 -8.399 -20.352 1.00 0.00 O ATOM 1698 CB ILE B 105 13.214 -11.031 -19.977 1.00 0.00 C ATOM 1699 CG1 ILE B 105 11.918 -10.709 -20.729 1.00 0.00 C ATOM 1700 CG2 ILE B 105 13.236 -10.318 -18.629 1.00 0.00 C ATOM 1701 CD1 ILE B 105 11.720 -11.535 -21.984 1.00 0.00 C ATOM 0 H ILE B 105 15.740 -11.109 -19.230 1.00 0.00 H new ATOM 0 HA ILE B 105 14.349 -11.177 -21.786 1.00 0.00 H new ATOM 0 HB ILE B 105 13.252 -12.104 -19.791 1.00 0.00 H new ATOM 0 HG12 ILE B 105 11.072 -10.870 -20.061 1.00 0.00 H new ATOM 0 HG13 ILE B 105 11.917 -9.652 -20.996 1.00 0.00 H new ATOM 0 HG21 ILE B 105 12.354 -10.601 -18.054 1.00 0.00 H new ATOM 0 HG22 ILE B 105 14.134 -10.603 -18.081 1.00 0.00 H new ATOM 0 HG23 ILE B 105 13.235 -9.240 -18.788 1.00 0.00 H new ATOM 0 HD11 ILE B 105 10.782 -11.251 -22.462 1.00 0.00 H new ATOM 0 HD12 ILE B 105 12.547 -11.356 -22.672 1.00 0.00 H new ATOM 0 HD13 ILE B 105 11.688 -12.593 -21.722 1.00 0.00 H new ATOM 1713 N THR B 106 13.790 -8.754 -22.127 1.00 0.00 N ATOM 1714 CA THR B 106 13.786 -7.385 -22.598 1.00 0.00 C ATOM 1715 C THR B 106 13.095 -6.436 -21.611 1.00 0.00 C ATOM 1716 O THR B 106 13.338 -5.232 -21.621 1.00 0.00 O ATOM 1717 CB THR B 106 13.098 -7.332 -23.976 1.00 0.00 C ATOM 1718 OG1 THR B 106 13.416 -6.115 -24.660 1.00 0.00 O ATOM 1719 CG2 THR B 106 11.584 -7.473 -23.855 1.00 0.00 C ATOM 0 H THR B 106 13.205 -9.379 -22.681 1.00 0.00 H new ATOM 0 HA THR B 106 14.819 -7.047 -22.684 1.00 0.00 H new ATOM 0 HB THR B 106 13.476 -8.175 -24.554 1.00 0.00 H new ATOM 0 HG1 THR B 106 12.970 -6.104 -25.532 1.00 0.00 H new ATOM 0 HG21 THR B 106 11.134 -7.431 -24.847 1.00 0.00 H new ATOM 0 HG22 THR B 106 11.344 -8.428 -23.388 1.00 0.00 H new ATOM 0 HG23 THR B 106 11.191 -6.661 -23.244 1.00 0.00 H new ATOM 1727 N ALA B 107 12.242 -6.984 -20.755 1.00 0.00 N ATOM 1728 CA ALA B 107 11.578 -6.190 -19.736 1.00 0.00 C ATOM 1729 C ALA B 107 12.264 -6.397 -18.402 1.00 0.00 C ATOM 1730 O ALA B 107 12.441 -7.531 -17.959 1.00 0.00 O ATOM 1731 CB ALA B 107 10.105 -6.567 -19.636 1.00 0.00 C ATOM 0 H ALA B 107 11.996 -7.974 -20.748 1.00 0.00 H new ATOM 0 HA ALA B 107 11.642 -5.138 -20.013 1.00 0.00 H new ATOM 0 HB1 ALA B 107 9.626 -5.961 -18.867 1.00 0.00 H new ATOM 0 HB2 ALA B 107 9.618 -6.389 -20.595 1.00 0.00 H new ATOM 0 HB3 ALA B 107 10.016 -7.621 -19.375 1.00 0.00 H new ATOM 1737 N LYS B 108 12.644 -5.311 -17.753 1.00 0.00 N ATOM 1738 CA LYS B 108 13.271 -5.412 -16.449 1.00 0.00 C ATOM 1739 C LYS B 108 12.219 -5.755 -15.414 1.00 0.00 C ATOM 1740 O LYS B 108 11.434 -4.905 -14.993 1.00 0.00 O ATOM 1741 CB LYS B 108 14.006 -4.120 -16.083 1.00 0.00 C ATOM 1742 CG LYS B 108 15.122 -3.735 -17.054 1.00 0.00 C ATOM 1743 CD LYS B 108 16.198 -4.815 -17.177 1.00 0.00 C ATOM 1744 CE LYS B 108 15.909 -5.786 -18.319 1.00 0.00 C ATOM 1745 NZ LYS B 108 16.945 -6.847 -18.436 1.00 0.00 N ATOM 0 H LYS B 108 12.531 -4.360 -18.103 1.00 0.00 H new ATOM 0 HA LYS B 108 14.018 -6.206 -16.476 1.00 0.00 H new ATOM 0 HB2 LYS B 108 13.283 -3.305 -16.037 1.00 0.00 H new ATOM 0 HB3 LYS B 108 14.430 -4.227 -15.085 1.00 0.00 H new ATOM 0 HG2 LYS B 108 14.692 -3.543 -18.037 1.00 0.00 H new ATOM 0 HG3 LYS B 108 15.583 -2.805 -16.721 1.00 0.00 H new ATOM 0 HD2 LYS B 108 17.167 -4.344 -17.339 1.00 0.00 H new ATOM 0 HD3 LYS B 108 16.265 -5.368 -16.240 1.00 0.00 H new ATOM 0 HE2 LYS B 108 14.935 -6.249 -18.161 1.00 0.00 H new ATOM 0 HE3 LYS B 108 15.851 -5.233 -19.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 16.909 -7.263 -19.388 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 17.885 -6.433 -18.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 16.766 -7.587 -17.728 1.00 0.00 H new ATOM 1759 N ARG B 109 12.191 -7.019 -15.033 1.00 0.00 N ATOM 1760 CA ARG B 109 11.178 -7.515 -14.128 1.00 0.00 C ATOM 1761 C ARG B 109 11.806 -7.991 -12.835 1.00 0.00 C ATOM 1762 O ARG B 109 12.646 -8.883 -12.832 1.00 0.00 O ATOM 1763 CB ARG B 109 10.389 -8.639 -14.787 1.00 0.00 C ATOM 1764 CG ARG B 109 9.572 -8.165 -15.973 1.00 0.00 C ATOM 1765 CD ARG B 109 8.684 -9.267 -16.515 1.00 0.00 C ATOM 1766 NE ARG B 109 9.404 -10.185 -17.401 1.00 0.00 N ATOM 1767 CZ ARG B 109 9.730 -11.441 -17.082 1.00 0.00 C ATOM 1768 NH1 ARG B 109 9.501 -11.904 -15.858 1.00 0.00 N ATOM 1769 NH2 ARG B 109 10.297 -12.233 -17.986 1.00 0.00 N ATOM 0 H ARG B 109 12.863 -7.722 -15.340 1.00 0.00 H new ATOM 0 HA ARG B 109 10.492 -6.701 -13.893 1.00 0.00 H new ATOM 0 HB2 ARG B 109 11.078 -9.418 -15.114 1.00 0.00 H new ATOM 0 HB3 ARG B 109 9.724 -9.091 -14.051 1.00 0.00 H new ATOM 0 HG2 ARG B 109 8.958 -7.315 -15.676 1.00 0.00 H new ATOM 0 HG3 ARG B 109 10.241 -7.816 -16.760 1.00 0.00 H new ATOM 0 HD2 ARG B 109 8.259 -9.829 -15.683 1.00 0.00 H new ATOM 0 HD3 ARG B 109 7.850 -8.823 -17.058 1.00 0.00 H new ATOM 0 HE ARG B 109 9.675 -9.843 -18.323 1.00 0.00 H new ATOM 0 HH11 ARG B 109 9.074 -11.300 -15.156 1.00 0.00 H new ATOM 0 HH12 ARG B 109 9.752 -12.864 -15.621 1.00 0.00 H new ATOM 0 HH21 ARG B 109 10.484 -11.882 -18.925 1.00 0.00 H new ATOM 0 HH22 ARG B 109 10.545 -13.191 -17.740 1.00 0.00 H new ATOM 1783 N SER B 110 11.374 -7.388 -11.747 1.00 0.00 N ATOM 1784 CA SER B 110 11.932 -7.668 -10.432 1.00 0.00 C ATOM 1785 C SER B 110 11.538 -9.054 -9.941 1.00 0.00 C ATOM 1786 O SER B 110 10.511 -9.608 -10.348 1.00 0.00 O ATOM 1787 CB SER B 110 11.487 -6.596 -9.435 1.00 0.00 C ATOM 1788 OG SER B 110 11.818 -6.941 -8.102 1.00 0.00 O ATOM 0 H SER B 110 10.629 -6.692 -11.744 1.00 0.00 H new ATOM 0 HA SER B 110 13.019 -7.648 -10.514 1.00 0.00 H new ATOM 0 HB2 SER B 110 11.956 -5.646 -9.691 1.00 0.00 H new ATOM 0 HB3 SER B 110 10.410 -6.451 -9.515 1.00 0.00 H new ATOM 0 HG SER B 110 11.519 -6.231 -7.496 1.00 0.00 H new ATOM 1794 N ARG B 111 12.358 -9.583 -9.041 1.00 0.00 N ATOM 1795 CA ARG B 111 12.228 -10.945 -8.545 1.00 0.00 C ATOM 1796 C ARG B 111 10.837 -11.199 -7.975 1.00 0.00 C ATOM 1797 O ARG B 111 10.190 -12.194 -8.305 1.00 0.00 O ATOM 1798 CB ARG B 111 13.278 -11.200 -7.459 1.00 0.00 C ATOM 1799 CG ARG B 111 14.708 -10.916 -7.896 1.00 0.00 C ATOM 1800 CD ARG B 111 15.169 -11.871 -8.980 1.00 0.00 C ATOM 1801 NE ARG B 111 15.119 -13.261 -8.533 1.00 0.00 N ATOM 1802 CZ ARG B 111 16.193 -13.990 -8.227 1.00 0.00 C ATOM 1803 NH1 ARG B 111 17.410 -13.465 -8.304 1.00 0.00 N ATOM 1804 NH2 ARG B 111 16.045 -15.251 -7.841 1.00 0.00 N ATOM 0 H ARG B 111 13.140 -9.072 -8.631 1.00 0.00 H new ATOM 0 HA ARG B 111 12.383 -11.625 -9.382 1.00 0.00 H new ATOM 0 HB2 ARG B 111 13.045 -10.582 -6.592 1.00 0.00 H new ATOM 0 HB3 ARG B 111 13.208 -12.239 -7.138 1.00 0.00 H new ATOM 0 HG2 ARG B 111 14.779 -9.891 -8.261 1.00 0.00 H new ATOM 0 HG3 ARG B 111 15.373 -10.995 -7.036 1.00 0.00 H new ATOM 0 HD2 ARG B 111 14.541 -11.750 -9.863 1.00 0.00 H new ATOM 0 HD3 ARG B 111 16.188 -11.621 -9.277 1.00 0.00 H new ATOM 0 HE ARG B 111 14.203 -13.703 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG B 111 17.530 -12.496 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG B 111 18.225 -14.031 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG B 111 15.112 -15.659 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG B 111 16.864 -15.812 -7.606 1.00 0.00 H new ATOM 1818 N ALA B 112 10.375 -10.277 -7.140 1.00 0.00 N ATOM 1819 CA ALA B 112 9.113 -10.444 -6.426 1.00 0.00 C ATOM 1820 C ALA B 112 7.928 -10.567 -7.378 1.00 0.00 C ATOM 1821 O ALA B 112 6.995 -11.328 -7.118 1.00 0.00 O ATOM 1822 CB ALA B 112 8.898 -9.287 -5.465 1.00 0.00 C ATOM 0 H ALA B 112 10.857 -9.401 -6.939 1.00 0.00 H new ATOM 0 HA ALA B 112 9.176 -11.375 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA B 112 7.953 -9.422 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA B 112 9.715 -9.256 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA B 112 8.871 -8.351 -6.023 1.00 0.00 H new ATOM 1828 N ARG B 113 7.970 -9.840 -8.490 1.00 0.00 N ATOM 1829 CA ARG B 113 6.855 -9.859 -9.432 1.00 0.00 C ATOM 1830 C ARG B 113 6.951 -11.063 -10.353 1.00 0.00 C ATOM 1831 O ARG B 113 5.947 -11.521 -10.894 1.00 0.00 O ATOM 1832 CB ARG B 113 6.783 -8.579 -10.269 1.00 0.00 C ATOM 1833 CG ARG B 113 7.840 -7.540 -9.940 1.00 0.00 C ATOM 1834 CD ARG B 113 7.651 -6.297 -10.791 1.00 0.00 C ATOM 1835 NE ARG B 113 8.705 -5.299 -10.580 1.00 0.00 N ATOM 1836 CZ ARG B 113 8.850 -4.561 -9.473 1.00 0.00 C ATOM 1837 NH1 ARG B 113 8.017 -4.704 -8.448 1.00 0.00 N ATOM 1838 NH2 ARG B 113 9.824 -3.666 -9.400 1.00 0.00 N ATOM 0 H ARG B 113 8.750 -9.240 -8.759 1.00 0.00 H new ATOM 0 HA ARG B 113 5.943 -9.925 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG B 113 6.872 -8.845 -11.322 1.00 0.00 H new ATOM 0 HB3 ARG B 113 5.799 -8.130 -10.136 1.00 0.00 H new ATOM 0 HG2 ARG B 113 7.782 -7.276 -8.884 1.00 0.00 H new ATOM 0 HG3 ARG B 113 8.833 -7.957 -10.111 1.00 0.00 H new ATOM 0 HD2 ARG B 113 7.632 -6.582 -11.843 1.00 0.00 H new ATOM 0 HD3 ARG B 113 6.683 -5.850 -10.564 1.00 0.00 H new ATOM 0 HE ARG B 113 9.378 -5.157 -11.333 1.00 0.00 H new ATOM 0 HH11 ARG B 113 7.257 -5.382 -8.499 1.00 0.00 H new ATOM 0 HH12 ARG B 113 8.138 -4.136 -7.610 1.00 0.00 H new ATOM 0 HH21 ARG B 113 10.461 -3.541 -10.186 1.00 0.00 H new ATOM 0 HH22 ARG B 113 9.937 -3.102 -8.557 1.00 0.00 H new ATOM 1852 N ILE B 114 8.163 -11.566 -10.543 1.00 0.00 N ATOM 1853 CA ILE B 114 8.361 -12.768 -11.336 1.00 0.00 C ATOM 1854 C ILE B 114 7.840 -13.978 -10.572 1.00 0.00 C ATOM 1855 O ILE B 114 7.142 -14.829 -11.126 1.00 0.00 O ATOM 1856 CB ILE B 114 9.849 -12.984 -11.686 1.00 0.00 C ATOM 1857 CG1 ILE B 114 10.377 -11.825 -12.534 1.00 0.00 C ATOM 1858 CG2 ILE B 114 10.039 -14.304 -12.413 1.00 0.00 C ATOM 1859 CD1 ILE B 114 11.834 -11.975 -12.938 1.00 0.00 C ATOM 0 H ILE B 114 9.018 -11.162 -10.161 1.00 0.00 H new ATOM 0 HA ILE B 114 7.809 -12.646 -12.268 1.00 0.00 H new ATOM 0 HB ILE B 114 10.418 -13.017 -10.757 1.00 0.00 H new ATOM 0 HG12 ILE B 114 9.767 -11.738 -13.433 1.00 0.00 H new ATOM 0 HG13 ILE B 114 10.258 -10.896 -11.977 1.00 0.00 H new ATOM 0 HG21 ILE B 114 11.094 -14.439 -12.652 1.00 0.00 H new ATOM 0 HG22 ILE B 114 9.703 -15.122 -11.776 1.00 0.00 H new ATOM 0 HG23 ILE B 114 9.456 -14.299 -13.334 1.00 0.00 H new ATOM 0 HD11 ILE B 114 12.136 -11.116 -13.537 1.00 0.00 H new ATOM 0 HD12 ILE B 114 12.455 -12.031 -12.044 1.00 0.00 H new ATOM 0 HD13 ILE B 114 11.957 -12.886 -13.523 1.00 0.00 H new ATOM 1871 N VAL B 115 8.180 -14.027 -9.288 1.00 0.00 N ATOM 1872 CA VAL B 115 7.729 -15.086 -8.397 1.00 0.00 C ATOM 1873 C VAL B 115 6.209 -15.188 -8.387 1.00 0.00 C ATOM 1874 O VAL B 115 5.648 -16.256 -8.629 1.00 0.00 O ATOM 1875 CB VAL B 115 8.227 -14.833 -6.959 1.00 0.00 C ATOM 1876 CG1 VAL B 115 7.486 -15.701 -5.956 1.00 0.00 C ATOM 1877 CG2 VAL B 115 9.722 -15.077 -6.855 1.00 0.00 C ATOM 0 H VAL B 115 8.776 -13.333 -8.837 1.00 0.00 H new ATOM 0 HA VAL B 115 8.144 -16.023 -8.768 1.00 0.00 H new ATOM 0 HB VAL B 115 8.024 -13.789 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL B 115 7.861 -15.498 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL B 115 6.420 -15.476 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL B 115 7.645 -16.752 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL B 115 10.051 -14.892 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL B 115 9.942 -16.110 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL B 115 10.248 -14.404 -7.532 1.00 0.00 H new ATOM 1887 N ASP B 116 5.553 -14.067 -8.119 1.00 0.00 N ATOM 1888 CA ASP B 116 4.096 -14.030 -8.007 1.00 0.00 C ATOM 1889 C ASP B 116 3.450 -14.491 -9.307 1.00 0.00 C ATOM 1890 O ASP B 116 2.459 -15.221 -9.300 1.00 0.00 O ATOM 1891 CB ASP B 116 3.633 -12.609 -7.679 1.00 0.00 C ATOM 1892 CG ASP B 116 2.225 -12.546 -7.112 1.00 0.00 C ATOM 1893 OD1 ASP B 116 2.088 -12.500 -5.869 1.00 0.00 O ATOM 1894 OD2 ASP B 116 1.256 -12.509 -7.900 1.00 0.00 O ATOM 0 H ASP B 116 6.007 -13.165 -7.974 1.00 0.00 H new ATOM 0 HA ASP B 116 3.793 -14.703 -7.205 1.00 0.00 H new ATOM 0 HB2 ASP B 116 4.325 -12.166 -6.962 1.00 0.00 H new ATOM 0 HB3 ASP B 116 3.679 -12.002 -8.583 1.00 0.00 H new ATOM 1899 N LYS B 117 4.046 -14.091 -10.425 1.00 0.00 N ATOM 1900 CA LYS B 117 3.487 -14.388 -11.731 1.00 0.00 C ATOM 1901 C LYS B 117 3.666 -15.871 -12.074 1.00 0.00 C ATOM 1902 O LYS B 117 2.825 -16.456 -12.754 1.00 0.00 O ATOM 1903 CB LYS B 117 4.129 -13.480 -12.786 1.00 0.00 C ATOM 1904 CG LYS B 117 3.150 -12.945 -13.828 1.00 0.00 C ATOM 1905 CD LYS B 117 3.009 -13.893 -15.003 1.00 0.00 C ATOM 1906 CE LYS B 117 2.027 -13.378 -16.044 1.00 0.00 C ATOM 1907 NZ LYS B 117 0.618 -13.385 -15.565 1.00 0.00 N ATOM 0 H LYS B 117 4.917 -13.560 -10.449 1.00 0.00 H new ATOM 0 HA LYS B 117 2.415 -14.189 -11.717 1.00 0.00 H new ATOM 0 HB2 LYS B 117 4.604 -12.638 -12.284 1.00 0.00 H new ATOM 0 HB3 LYS B 117 4.918 -14.034 -13.295 1.00 0.00 H new ATOM 0 HG2 LYS B 117 2.175 -12.791 -13.366 1.00 0.00 H new ATOM 0 HG3 LYS B 117 3.492 -11.973 -14.183 1.00 0.00 H new ATOM 0 HD2 LYS B 117 3.984 -14.040 -15.468 1.00 0.00 H new ATOM 0 HD3 LYS B 117 2.677 -14.867 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS B 117 2.304 -12.362 -16.326 1.00 0.00 H new ATOM 0 HE3 LYS B 117 2.103 -13.991 -16.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 -0.026 -13.392 -16.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 0.452 -14.233 -14.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 0.442 -12.535 -14.992 1.00 0.00 H new ATOM 1921 N LEU B 118 4.750 -16.485 -11.587 1.00 0.00 N ATOM 1922 CA LEU B 118 4.936 -17.932 -11.735 1.00 0.00 C ATOM 1923 C LEU B 118 3.820 -18.682 -11.033 1.00 0.00 C ATOM 1924 O LEU B 118 3.182 -19.566 -11.610 1.00 0.00 O ATOM 1925 CB LEU B 118 6.245 -18.419 -11.117 1.00 0.00 C ATOM 1926 CG LEU B 118 7.547 -18.014 -11.795 1.00 0.00 C ATOM 1927 CD1 LEU B 118 8.652 -18.925 -11.297 1.00 0.00 C ATOM 1928 CD2 LEU B 118 7.440 -18.090 -13.307 1.00 0.00 C ATOM 0 H LEU B 118 5.504 -16.009 -11.092 1.00 0.00 H new ATOM 0 HA LEU B 118 4.942 -18.124 -12.808 1.00 0.00 H new ATOM 0 HB2 LEU B 118 6.280 -18.065 -10.087 1.00 0.00 H new ATOM 0 HB3 LEU B 118 6.212 -19.508 -11.079 1.00 0.00 H new ATOM 0 HG LEU B 118 7.769 -16.977 -11.543 1.00 0.00 H new ATOM 0 HD11 LEU B 118 9.593 -18.649 -11.773 1.00 0.00 H new ATOM 0 HD12 LEU B 118 8.748 -18.823 -10.216 1.00 0.00 H new ATOM 0 HD13 LEU B 118 8.410 -19.959 -11.544 1.00 0.00 H new ATOM 0 HD21 LEU B 118 8.389 -17.794 -13.754 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.202 -19.111 -13.604 1.00 0.00 H new ATOM 0 HD23 LEU B 118 6.652 -17.420 -13.650 1.00 0.00 H new ATOM 1940 N LEU B 119 3.623 -18.332 -9.767 1.00 0.00 N ATOM 1941 CA LEU B 119 2.610 -18.954 -8.927 1.00 0.00 C ATOM 1942 C LEU B 119 1.234 -18.808 -9.553 1.00 0.00 C ATOM 1943 O LEU B 119 0.393 -19.702 -9.462 1.00 0.00 O ATOM 1944 CB LEU B 119 2.615 -18.309 -7.537 1.00 0.00 C ATOM 1945 CG LEU B 119 3.599 -18.909 -6.512 1.00 0.00 C ATOM 1946 CD1 LEU B 119 3.221 -20.348 -6.193 1.00 0.00 C ATOM 1947 CD2 LEU B 119 5.045 -18.845 -7.000 1.00 0.00 C ATOM 0 H LEU B 119 4.163 -17.607 -9.295 1.00 0.00 H new ATOM 0 HA LEU B 119 2.842 -20.015 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU B 119 2.843 -17.249 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU B 119 1.608 -18.375 -7.125 1.00 0.00 H new ATOM 0 HG LEU B 119 3.529 -18.307 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU B 119 3.925 -20.757 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU B 119 2.214 -20.376 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU B 119 3.253 -20.943 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU B 119 5.703 -19.278 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU B 119 5.140 -19.405 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU B 119 5.325 -17.806 -7.172 1.00 0.00 H new ATOM 1959 N ALA B 120 1.031 -17.680 -10.209 1.00 0.00 N ATOM 1960 CA ALA B 120 -0.239 -17.368 -10.834 1.00 0.00 C ATOM 1961 C ALA B 120 -0.489 -18.258 -12.049 1.00 0.00 C ATOM 1962 O ALA B 120 -1.604 -18.733 -12.261 1.00 0.00 O ATOM 1963 CB ALA B 120 -0.266 -15.903 -11.217 1.00 0.00 C ATOM 0 H ALA B 120 1.741 -16.956 -10.323 1.00 0.00 H new ATOM 0 HA ALA B 120 -1.040 -17.563 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -1.221 -15.667 -11.687 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -0.141 -15.291 -10.324 1.00 0.00 H new ATOM 0 HB3 ALA B 120 0.544 -15.695 -11.916 1.00 0.00 H new ATOM 1969 N LEU B 121 0.555 -18.475 -12.846 1.00 0.00 N ATOM 1970 CA LEU B 121 0.483 -19.388 -13.980 1.00 0.00 C ATOM 1971 C LEU B 121 0.375 -20.827 -13.512 1.00 0.00 C ATOM 1972 O LEU B 121 -0.159 -21.683 -14.216 1.00 0.00 O ATOM 1973 CB LEU B 121 1.737 -19.255 -14.840 1.00 0.00 C ATOM 1974 CG LEU B 121 1.693 -18.202 -15.942 1.00 0.00 C ATOM 1975 CD1 LEU B 121 1.232 -16.859 -15.408 1.00 0.00 C ATOM 1976 CD2 LEU B 121 3.067 -18.081 -16.581 1.00 0.00 C ATOM 0 H LEU B 121 1.464 -18.028 -12.725 1.00 0.00 H new ATOM 0 HA LEU B 121 -0.403 -19.128 -14.559 1.00 0.00 H new ATOM 0 HB2 LEU B 121 2.579 -19.029 -14.185 1.00 0.00 H new ATOM 0 HB3 LEU B 121 1.941 -20.222 -15.299 1.00 0.00 H new ATOM 0 HG LEU B 121 0.970 -18.517 -16.694 1.00 0.00 H new ATOM 0 HD11 LEU B 121 1.212 -16.132 -16.220 1.00 0.00 H new ATOM 0 HD12 LEU B 121 0.232 -16.959 -14.986 1.00 0.00 H new ATOM 0 HD13 LEU B 121 1.920 -16.520 -14.634 1.00 0.00 H new ATOM 0 HD21 LEU B 121 3.037 -17.329 -17.369 1.00 0.00 H new ATOM 0 HD22 LEU B 121 3.795 -17.786 -15.825 1.00 0.00 H new ATOM 0 HD23 LEU B 121 3.356 -19.042 -17.008 1.00 0.00 H new ATOM 1988 N GLY B 122 0.867 -21.078 -12.313 1.00 0.00 N ATOM 1989 CA GLY B 122 0.982 -22.430 -11.832 1.00 0.00 C ATOM 1990 C GLY B 122 2.207 -23.105 -12.412 1.00 0.00 C ATOM 1991 O GLY B 122 2.225 -24.320 -12.606 1.00 0.00 O ATOM 0 H GLY B 122 1.190 -20.363 -11.662 1.00 0.00 H new ATOM 0 HA2 GLY B 122 1.043 -22.430 -10.744 1.00 0.00 H new ATOM 0 HA3 GLY B 122 0.089 -22.994 -12.101 1.00 0.00 H new ATOM 1995 N LEU B 123 3.243 -22.310 -12.687 1.00 0.00 N ATOM 1996 CA LEU B 123 4.487 -22.843 -13.226 1.00 0.00 C ATOM 1997 C LEU B 123 5.237 -23.558 -12.125 1.00 0.00 C ATOM 1998 O LEU B 123 6.033 -24.466 -12.370 1.00 0.00 O ATOM 1999 CB LEU B 123 5.350 -21.726 -13.828 1.00 0.00 C ATOM 2000 CG LEU B 123 4.828 -21.130 -15.140 1.00 0.00 C ATOM 2001 CD1 LEU B 123 5.827 -20.138 -15.715 1.00 0.00 C ATOM 2002 CD2 LEU B 123 4.532 -22.225 -16.152 1.00 0.00 C ATOM 0 H LEU B 123 3.242 -21.300 -12.545 1.00 0.00 H new ATOM 0 HA LEU B 123 4.255 -23.546 -14.026 1.00 0.00 H new ATOM 0 HB2 LEU B 123 5.441 -20.925 -13.095 1.00 0.00 H new ATOM 0 HB3 LEU B 123 6.353 -22.117 -13.999 1.00 0.00 H new ATOM 0 HG LEU B 123 3.900 -20.602 -14.923 1.00 0.00 H new ATOM 0 HD11 LEU B 123 5.437 -19.727 -16.646 1.00 0.00 H new ATOM 0 HD12 LEU B 123 5.989 -19.330 -15.001 1.00 0.00 H new ATOM 0 HD13 LEU B 123 6.772 -20.645 -15.910 1.00 0.00 H new ATOM 0 HD21 LEU B 123 4.163 -21.777 -17.075 1.00 0.00 H new ATOM 0 HD22 LEU B 123 5.444 -22.785 -16.360 1.00 0.00 H new ATOM 0 HD23 LEU B 123 3.777 -22.899 -15.748 1.00 0.00 H new ATOM 2014 N VAL B 124 4.949 -23.142 -10.907 1.00 0.00 N ATOM 2015 CA VAL B 124 5.515 -23.744 -9.718 1.00 0.00 C ATOM 2016 C VAL B 124 4.465 -23.823 -8.629 1.00 0.00 C ATOM 2017 O VAL B 124 3.369 -23.281 -8.773 1.00 0.00 O ATOM 2018 CB VAL B 124 6.713 -22.942 -9.183 1.00 0.00 C ATOM 2019 CG1 VAL B 124 7.892 -23.020 -10.134 1.00 0.00 C ATOM 2020 CG2 VAL B 124 6.306 -21.499 -8.952 1.00 0.00 C ATOM 0 H VAL B 124 4.310 -22.370 -10.715 1.00 0.00 H new ATOM 0 HA VAL B 124 5.858 -24.741 -9.995 1.00 0.00 H new ATOM 0 HB VAL B 124 7.025 -23.378 -8.234 1.00 0.00 H new ATOM 0 HG11 VAL B 124 8.724 -22.444 -9.730 1.00 0.00 H new ATOM 0 HG12 VAL B 124 8.195 -24.060 -10.253 1.00 0.00 H new ATOM 0 HG13 VAL B 124 7.605 -22.612 -11.103 1.00 0.00 H new ATOM 0 HG21 VAL B 124 7.159 -20.937 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL B 124 5.971 -21.061 -9.892 1.00 0.00 H new ATOM 0 HG23 VAL B 124 5.495 -21.462 -8.225 1.00 0.00 H new ATOM 2030 N ALA B 125 4.809 -24.488 -7.548 1.00 0.00 N ATOM 2031 CA ALA B 125 3.916 -24.612 -6.408 1.00 0.00 C ATOM 2032 C ALA B 125 4.527 -23.944 -5.185 1.00 0.00 C ATOM 2033 O ALA B 125 3.889 -23.813 -4.141 1.00 0.00 O ATOM 2034 CB ALA B 125 3.613 -26.077 -6.125 1.00 0.00 C ATOM 0 H ALA B 125 5.708 -24.956 -7.431 1.00 0.00 H new ATOM 0 HA ALA B 125 2.978 -24.109 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA B 125 2.943 -26.151 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA B 125 3.138 -26.525 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA B 125 4.541 -26.605 -5.906 1.00 0.00 H new ATOM 2040 N GLU B 126 5.772 -23.518 -5.335 1.00 0.00 N ATOM 2041 CA GLU B 126 6.541 -22.954 -4.240 1.00 0.00 C ATOM 2042 C GLU B 126 7.717 -22.171 -4.801 1.00 0.00 C ATOM 2043 O GLU B 126 8.083 -22.352 -5.962 1.00 0.00 O ATOM 2044 CB GLU B 126 7.039 -24.079 -3.331 1.00 0.00 C ATOM 2045 CG GLU B 126 7.847 -25.119 -4.081 1.00 0.00 C ATOM 2046 CD GLU B 126 7.938 -26.440 -3.347 1.00 0.00 C ATOM 2047 OE1 GLU B 126 8.840 -27.234 -3.668 1.00 0.00 O ATOM 2048 OE2 GLU B 126 7.119 -26.689 -2.444 1.00 0.00 O ATOM 0 H GLU B 126 6.277 -23.554 -6.221 1.00 0.00 H new ATOM 0 HA GLU B 126 5.912 -22.282 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU B 126 7.650 -23.654 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU B 126 6.185 -24.561 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU B 126 7.397 -25.284 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU B 126 8.853 -24.735 -4.253 1.00 0.00 H new ATOM 2055 N ARG B 127 8.310 -21.316 -3.984 1.00 0.00 N ATOM 2056 CA ARG B 127 9.439 -20.503 -4.418 1.00 0.00 C ATOM 2057 C ARG B 127 10.719 -21.324 -4.440 1.00 0.00 C ATOM 2058 O ARG B 127 11.700 -20.956 -5.076 1.00 0.00 O ATOM 2059 CB ARG B 127 9.610 -19.275 -3.531 1.00 0.00 C ATOM 2060 CG ARG B 127 8.357 -18.428 -3.448 1.00 0.00 C ATOM 2061 CD ARG B 127 8.653 -17.050 -2.896 1.00 0.00 C ATOM 2062 NE ARG B 127 7.432 -16.329 -2.541 1.00 0.00 N ATOM 2063 CZ ARG B 127 7.401 -15.065 -2.118 1.00 0.00 C ATOM 2064 NH1 ARG B 127 8.527 -14.373 -1.989 1.00 0.00 N ATOM 2065 NH2 ARG B 127 6.241 -14.498 -1.816 1.00 0.00 N ATOM 0 H ARG B 127 8.029 -21.165 -3.015 1.00 0.00 H new ATOM 0 HA ARG B 127 9.229 -20.161 -5.431 1.00 0.00 H new ATOM 0 HB2 ARG B 127 9.894 -19.594 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG B 127 10.429 -18.667 -3.915 1.00 0.00 H new ATOM 0 HG2 ARG B 127 7.913 -18.336 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG B 127 7.622 -18.925 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG B 127 9.289 -17.141 -2.016 1.00 0.00 H new ATOM 0 HD3 ARG B 127 9.211 -16.476 -3.635 1.00 0.00 H new ATOM 0 HE ARG B 127 6.545 -16.826 -2.622 1.00 0.00 H new ATOM 0 HH11 ARG B 127 9.422 -14.808 -2.214 1.00 0.00 H new ATOM 0 HH12 ARG B 127 8.497 -13.406 -1.665 1.00 0.00 H new ATOM 0 HH21 ARG B 127 5.375 -15.029 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG B 127 6.215 -13.531 -1.492 1.00 0.00 H new ATOM 2079 N ARG B 128 10.708 -22.424 -3.715 1.00 0.00 N ATOM 2080 CA ARG B 128 11.835 -23.346 -3.705 1.00 0.00 C ATOM 2081 C ARG B 128 12.135 -23.863 -5.113 1.00 0.00 C ATOM 2082 O ARG B 128 13.289 -24.043 -5.486 1.00 0.00 O ATOM 2083 CB ARG B 128 11.539 -24.515 -2.765 1.00 0.00 C ATOM 2084 CG ARG B 128 12.397 -25.738 -3.027 1.00 0.00 C ATOM 2085 CD ARG B 128 12.160 -26.819 -1.994 1.00 0.00 C ATOM 2086 NE ARG B 128 10.754 -27.193 -1.869 1.00 0.00 N ATOM 2087 CZ ARG B 128 10.242 -27.809 -0.805 1.00 0.00 C ATOM 2088 NH1 ARG B 128 11.021 -28.132 0.223 1.00 0.00 N ATOM 2089 NH2 ARG B 128 8.948 -28.097 -0.770 1.00 0.00 N ATOM 0 H ARG B 128 9.928 -22.706 -3.121 1.00 0.00 H new ATOM 0 HA ARG B 128 12.715 -22.811 -3.348 1.00 0.00 H new ATOM 0 HB2 ARG B 128 11.690 -24.190 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG B 128 10.489 -24.791 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG B 128 12.179 -26.130 -4.021 1.00 0.00 H new ATOM 0 HG3 ARG B 128 13.449 -25.453 -3.021 1.00 0.00 H new ATOM 0 HD2 ARG B 128 12.742 -27.701 -2.260 1.00 0.00 H new ATOM 0 HD3 ARG B 128 12.526 -26.475 -1.026 1.00 0.00 H new ATOM 0 HE ARG B 128 10.127 -26.969 -2.642 1.00 0.00 H new ATOM 0 HH11 ARG B 128 12.016 -27.908 0.199 1.00 0.00 H new ATOM 0 HH12 ARG B 128 10.624 -28.604 1.035 1.00 0.00 H new ATOM 0 HH21 ARG B 128 8.348 -27.847 -1.556 1.00 0.00 H new ATOM 0 HH22 ARG B 128 8.552 -28.569 0.043 1.00 0.00 H new ATOM 2103 N GLU B 129 11.083 -24.061 -5.894 1.00 0.00 N ATOM 2104 CA GLU B 129 11.197 -24.656 -7.219 1.00 0.00 C ATOM 2105 C GLU B 129 11.771 -23.688 -8.244 1.00 0.00 C ATOM 2106 O GLU B 129 12.051 -24.070 -9.378 1.00 0.00 O ATOM 2107 CB GLU B 129 9.830 -25.142 -7.668 1.00 0.00 C ATOM 2108 CG GLU B 129 9.347 -26.334 -6.872 1.00 0.00 C ATOM 2109 CD GLU B 129 10.027 -27.621 -7.297 1.00 0.00 C ATOM 2110 OE1 GLU B 129 9.623 -28.195 -8.329 1.00 0.00 O ATOM 2111 OE2 GLU B 129 10.962 -28.070 -6.602 1.00 0.00 O ATOM 0 H GLU B 129 10.129 -23.815 -5.629 1.00 0.00 H new ATOM 0 HA GLU B 129 11.892 -25.493 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU B 129 9.110 -24.329 -7.572 1.00 0.00 H new ATOM 0 HB3 GLU B 129 9.872 -25.408 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU B 129 9.533 -26.160 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU B 129 8.269 -26.437 -6.994 1.00 0.00 H new ATOM 2118 N LEU B 130 11.945 -22.436 -7.851 1.00 0.00 N ATOM 2119 CA LEU B 130 12.500 -21.436 -8.751 1.00 0.00 C ATOM 2120 C LEU B 130 14.024 -21.465 -8.653 1.00 0.00 C ATOM 2121 O LEU B 130 14.729 -20.664 -9.271 1.00 0.00 O ATOM 2122 CB LEU B 130 11.982 -20.033 -8.410 1.00 0.00 C ATOM 2123 CG LEU B 130 10.715 -19.957 -7.541 1.00 0.00 C ATOM 2124 CD1 LEU B 130 10.345 -18.516 -7.272 1.00 0.00 C ATOM 2125 CD2 LEU B 130 9.531 -20.682 -8.160 1.00 0.00 C ATOM 0 H LEU B 130 11.712 -22.089 -6.921 1.00 0.00 H new ATOM 0 HA LEU B 130 12.187 -21.670 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU B 130 12.778 -19.491 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.786 -19.506 -9.344 1.00 0.00 H new ATOM 0 HG LEU B 130 10.951 -20.461 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU B 130 9.446 -18.480 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU B 130 11.164 -18.022 -6.749 1.00 0.00 H new ATOM 0 HD13 LEU B 130 10.158 -18.006 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU B 130 8.666 -20.594 -7.502 1.00 0.00 H new ATOM 0 HD22 LEU B 130 9.298 -20.238 -9.128 1.00 0.00 H new ATOM 0 HD23 LEU B 130 9.779 -21.735 -8.295 1.00 0.00 H new ATOM 2137 N TYR B 131 14.507 -22.398 -7.846 1.00 0.00 N ATOM 2138 CA TYR B 131 15.926 -22.602 -7.619 1.00 0.00 C ATOM 2139 C TYR B 131 16.206 -24.096 -7.698 1.00 0.00 C ATOM 2140 O TYR B 131 15.502 -24.881 -7.064 1.00 0.00 O ATOM 2141 CB TYR B 131 16.332 -22.075 -6.235 1.00 0.00 C ATOM 2142 CG TYR B 131 15.970 -20.624 -5.980 1.00 0.00 C ATOM 2143 CD1 TYR B 131 14.677 -20.258 -5.615 1.00 0.00 C ATOM 2144 CD2 TYR B 131 16.923 -19.624 -6.090 1.00 0.00 C ATOM 2145 CE1 TYR B 131 14.347 -18.938 -5.372 1.00 0.00 C ATOM 2146 CE2 TYR B 131 16.601 -18.303 -5.849 1.00 0.00 C ATOM 2147 CZ TYR B 131 15.314 -17.964 -5.492 1.00 0.00 C ATOM 2148 OH TYR B 131 14.999 -16.647 -5.250 1.00 0.00 O ATOM 0 H TYR B 131 13.914 -23.043 -7.324 1.00 0.00 H new ATOM 0 HA TYR B 131 16.501 -22.062 -8.371 1.00 0.00 H new ATOM 0 HB2 TYR B 131 15.859 -22.693 -5.472 1.00 0.00 H new ATOM 0 HB3 TYR B 131 17.409 -22.193 -6.118 1.00 0.00 H new ATOM 0 HD1 TYR B 131 13.918 -21.020 -5.520 1.00 0.00 H new ATOM 0 HD2 TYR B 131 17.934 -19.882 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR B 131 13.339 -18.672 -5.090 1.00 0.00 H new ATOM 0 HE2 TYR B 131 17.357 -17.537 -5.940 1.00 0.00 H new ATOM 0 HH TYR B 131 15.796 -16.091 -5.378 1.00 0.00 H new