USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 HIS : +bothHN:sc= 0.0967 K(o=0.79,f=-8.8!) USER MOD Set 1.2: B 44 GLN : amide:sc= 0.696 K(o=0.79,f=-2.8) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.667 K(o=0.51,f=-2.9) USER MOD Set 2.2: B 64 HIS : +bothHN:sc= -0.155 K(o=0.51,f=-8.9!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 41 TYR OH : rot 35:sc= 0.473 USER MOD Single : A 43 MET CE :methyl 165:sc= -0.931 (180deg=-1.35) USER MOD Single : A 46 MET CE :methyl -157:sc= -1.06 (180deg=-2.23) USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.11) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 170:sc= -4.67! (180deg=-5.04!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 62:sc= 1.3 USER MOD Single : A 57 ASN : amide:sc= -1.51! C(o=-1.5!,f=-8.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= -0.344 USER MOD Single : B 41 TYR OH : rot 29:sc= 0.656 USER MOD Single : B 43 MET CE :methyl 168:sc= -0.935 (180deg=-1.34) USER MOD Single : B 46 MET CE :methyl -156:sc= -1.02 (180deg=-2.14) USER MOD Single : B 47 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.12) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 MET CE :methyl 174:sc= -4.53! (180deg=-4.78!) USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 72:sc= 1.28 USER MOD Single : B 57 ASN : amide:sc= -1.54! C(o=-1.5!,f=-8.5!) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 13.223 -5.934 -4.327 1.00 0.97 N ATOM 131 CA THR A 38 14.651 -5.698 -4.470 1.00 0.83 C ATOM 132 C THR A 38 15.080 -4.545 -3.568 1.00 0.72 C ATOM 133 O THR A 38 14.225 -3.811 -3.067 1.00 0.65 O ATOM 134 CB THR A 38 15.023 -5.366 -5.932 1.00 0.79 C ATOM 135 OG1 THR A 38 14.307 -4.201 -6.364 1.00 0.85 O ATOM 136 CG2 THR A 38 14.708 -6.532 -6.858 1.00 0.95 C ATOM 0 HA THR A 38 15.170 -6.611 -4.180 1.00 0.83 H new ATOM 0 HB THR A 38 16.095 -5.175 -5.974 1.00 0.79 H new ATOM 0 HG1 THR A 38 14.548 -3.994 -7.291 1.00 0.85 H new ATOM 0 HG21 THR A 38 14.980 -6.269 -7.880 1.00 0.95 H new ATOM 0 HG22 THR A 38 15.276 -7.409 -6.545 1.00 0.95 H new ATOM 0 HG23 THR A 38 13.642 -6.755 -6.813 1.00 0.95 H new ATOM 144 N PRO A 39 16.386 -4.366 -3.317 1.00 0.74 N ATOM 145 CA PRO A 39 16.873 -3.215 -2.555 1.00 0.70 C ATOM 146 C PRO A 39 16.424 -1.898 -3.177 1.00 0.62 C ATOM 147 O PRO A 39 15.927 -1.019 -2.483 1.00 0.56 O ATOM 148 CB PRO A 39 18.390 -3.349 -2.621 1.00 0.78 C ATOM 149 CG PRO A 39 18.629 -4.800 -2.859 1.00 0.87 C ATOM 150 CD PRO A 39 17.483 -5.270 -3.710 1.00 0.83 C ATOM 0 HA PRO A 39 16.487 -3.204 -1.536 1.00 0.70 H new ATOM 0 HB2 PRO A 39 18.807 -2.742 -3.424 1.00 0.78 H new ATOM 0 HB3 PRO A 39 18.858 -3.017 -1.694 1.00 0.78 H new ATOM 0 HG2 PRO A 39 19.582 -4.962 -3.363 1.00 0.87 H new ATOM 0 HG3 PRO A 39 18.668 -5.349 -1.918 1.00 0.87 H new ATOM 0 HD2 PRO A 39 17.710 -5.190 -4.773 1.00 0.83 H new ATOM 0 HD3 PRO A 39 17.236 -6.313 -3.514 1.00 0.83 H new ATOM 158 N ASP A 40 16.580 -1.784 -4.495 1.00 0.66 N ATOM 159 CA ASP A 40 16.150 -0.593 -5.232 1.00 0.64 C ATOM 160 C ASP A 40 14.668 -0.333 -4.998 1.00 0.58 C ATOM 161 O ASP A 40 14.246 0.802 -4.767 1.00 0.58 O ATOM 162 CB ASP A 40 16.414 -0.772 -6.729 1.00 0.72 C ATOM 163 CG ASP A 40 17.886 -0.917 -7.050 1.00 1.44 C ATOM 164 OD1 ASP A 40 18.432 -2.029 -6.875 1.00 2.22 O ATOM 165 OD2 ASP A 40 18.506 0.077 -7.485 1.00 2.15 O ATOM 0 H ASP A 40 17.003 -2.506 -5.079 1.00 0.66 H new ATOM 0 HA ASP A 40 16.721 0.262 -4.870 1.00 0.64 H new ATOM 0 HB2 ASP A 40 15.880 -1.653 -7.085 1.00 0.72 H new ATOM 0 HB3 ASP A 40 16.011 0.084 -7.270 1.00 0.72 H new ATOM 170 N TYR A 41 13.894 -1.409 -5.038 1.00 0.57 N ATOM 171 CA TYR A 41 12.465 -1.370 -4.765 1.00 0.54 C ATOM 172 C TYR A 41 12.211 -0.811 -3.365 1.00 0.46 C ATOM 173 O TYR A 41 11.258 -0.061 -3.140 1.00 0.43 O ATOM 174 CB TYR A 41 11.920 -2.798 -4.877 1.00 0.61 C ATOM 175 CG TYR A 41 10.417 -2.940 -4.829 1.00 0.63 C ATOM 176 CD1 TYR A 41 9.739 -2.999 -3.619 1.00 0.64 C ATOM 177 CD2 TYR A 41 9.681 -3.055 -6.000 1.00 0.83 C ATOM 178 CE1 TYR A 41 8.369 -3.170 -3.579 1.00 0.69 C ATOM 179 CE2 TYR A 41 8.314 -3.219 -5.969 1.00 0.88 C ATOM 180 CZ TYR A 41 7.664 -3.281 -4.756 1.00 0.73 C ATOM 181 OH TYR A 41 6.306 -3.460 -4.722 1.00 0.81 O ATOM 0 H TYR A 41 14.244 -2.341 -5.263 1.00 0.57 H new ATOM 0 HA TYR A 41 11.962 -0.721 -5.482 1.00 0.54 H new ATOM 0 HB2 TYR A 41 12.276 -3.229 -5.813 1.00 0.61 H new ATOM 0 HB3 TYR A 41 12.347 -3.393 -4.070 1.00 0.61 H new ATOM 0 HD1 TYR A 41 10.291 -2.910 -2.695 1.00 0.64 H new ATOM 0 HD2 TYR A 41 10.189 -3.015 -6.952 1.00 0.83 H new ATOM 0 HE1 TYR A 41 7.854 -3.216 -2.631 1.00 0.69 H new ATOM 0 HE2 TYR A 41 7.755 -3.298 -6.890 1.00 0.88 H new ATOM 0 HH TYR A 41 5.930 -2.970 -3.961 1.00 0.81 H new ATOM 191 N LEU A 42 13.092 -1.167 -2.438 1.00 0.44 N ATOM 192 CA LEU A 42 12.963 -0.763 -1.045 1.00 0.39 C ATOM 193 C LEU A 42 13.465 0.663 -0.828 1.00 0.37 C ATOM 194 O LEU A 42 13.030 1.343 0.100 1.00 0.34 O ATOM 195 CB LEU A 42 13.737 -1.733 -0.144 1.00 0.43 C ATOM 196 CG LEU A 42 13.761 -1.373 1.346 1.00 0.41 C ATOM 197 CD1 LEU A 42 12.359 -1.372 1.923 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.653 -2.333 2.118 1.00 0.48 C ATOM 0 H LEU A 42 13.913 -1.742 -2.630 1.00 0.44 H new ATOM 0 HA LEU A 42 11.905 -0.790 -0.784 1.00 0.39 H new ATOM 0 HB2 LEU A 42 13.303 -2.727 -0.253 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.765 -1.793 -0.502 1.00 0.43 H new ATOM 0 HG LEU A 42 14.172 -0.368 1.443 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.401 -1.114 2.981 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.749 -0.639 1.395 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.918 -2.362 1.808 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.655 -2.059 3.173 1.00 0.48 H new ATOM 0 HD22 LEU A 42 14.275 -3.349 2.008 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.669 -2.280 1.727 1.00 0.48 H new ATOM 210 N MET A 43 14.350 1.136 -1.699 1.00 0.40 N ATOM 211 CA MET A 43 14.950 2.452 -1.519 1.00 0.40 C ATOM 212 C MET A 43 13.922 3.519 -1.847 1.00 0.37 C ATOM 213 O MET A 43 13.860 4.568 -1.202 1.00 0.36 O ATOM 214 CB MET A 43 16.192 2.626 -2.400 1.00 0.47 C ATOM 215 CG MET A 43 17.319 1.638 -2.117 1.00 0.63 C ATOM 216 SD MET A 43 17.857 1.627 -0.391 1.00 0.85 S ATOM 217 CE MET A 43 16.914 0.251 0.273 1.00 0.55 C ATOM 0 H MET A 43 14.665 0.633 -2.529 1.00 0.40 H new ATOM 0 HA MET A 43 15.267 2.550 -0.481 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.896 2.529 -3.445 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.574 3.639 -2.270 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.990 0.636 -2.392 1.00 0.63 H new ATOM 0 HG3 MET A 43 18.171 1.880 -2.753 1.00 0.63 H new ATOM 0 HE1 MET A 43 17.330 -0.044 1.237 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.874 0.551 0.403 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.965 -0.591 -0.417 1.00 0.55 H new ATOM 227 N GLN A 44 13.098 3.217 -2.843 1.00 0.36 N ATOM 228 CA GLN A 44 11.979 4.075 -3.205 1.00 0.35 C ATOM 229 C GLN A 44 11.033 4.189 -2.022 1.00 0.30 C ATOM 230 O GLN A 44 10.575 5.275 -1.669 1.00 0.30 O ATOM 231 CB GLN A 44 11.220 3.487 -4.393 1.00 0.42 C ATOM 232 CG GLN A 44 12.075 3.259 -5.625 1.00 0.52 C ATOM 233 CD GLN A 44 11.374 2.396 -6.654 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.144 2.389 -6.743 1.00 0.91 O ATOM 235 NE2 GLN A 44 12.146 1.656 -7.431 1.00 0.75 N ATOM 0 H GLN A 44 13.186 2.378 -3.417 1.00 0.36 H new ATOM 0 HA GLN A 44 12.363 5.058 -3.478 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.775 2.538 -4.092 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.399 4.156 -4.653 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.330 4.220 -6.072 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.012 2.785 -5.333 1.00 0.52 H new ATOM 0 HE21 GLN A 44 13.160 1.691 -7.325 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.728 1.050 -8.137 1.00 0.75 H new ATOM 244 N LEU A 45 10.769 3.044 -1.407 1.00 0.27 N ATOM 245 CA LEU A 45 9.882 2.952 -0.260 1.00 0.25 C ATOM 246 C LEU A 45 10.370 3.775 0.912 1.00 0.23 C ATOM 247 O LEU A 45 9.565 4.338 1.658 1.00 0.23 O ATOM 248 CB LEU A 45 9.753 1.500 0.167 1.00 0.29 C ATOM 249 CG LEU A 45 8.792 0.678 -0.672 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.868 -0.788 -0.289 1.00 0.38 C ATOM 251 CD2 LEU A 45 7.388 1.216 -0.480 1.00 0.31 C ATOM 0 H LEU A 45 11.167 2.150 -1.693 1.00 0.27 H new ATOM 0 HA LEU A 45 8.914 3.350 -0.564 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.738 1.035 0.128 1.00 0.29 H new ATOM 0 HB3 LEU A 45 9.426 1.468 1.206 1.00 0.29 H new ATOM 0 HG LEU A 45 9.066 0.757 -1.724 1.00 0.32 H new ATOM 0 HD11 LEU A 45 8.172 -1.361 -0.902 1.00 0.38 H new ATOM 0 HD12 LEU A 45 9.881 -1.155 -0.452 1.00 0.38 H new ATOM 0 HD13 LEU A 45 8.606 -0.903 0.763 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.689 0.632 -1.079 1.00 0.31 H new ATOM 0 HD22 LEU A 45 7.112 1.145 0.572 1.00 0.31 H new ATOM 0 HD23 LEU A 45 7.352 2.259 -0.795 1.00 0.31 H new ATOM 263 N MET A 46 11.682 3.851 1.073 1.00 0.26 N ATOM 264 CA MET A 46 12.250 4.575 2.192 1.00 0.28 C ATOM 265 C MET A 46 11.886 6.039 2.111 1.00 0.27 C ATOM 266 O MET A 46 11.724 6.701 3.135 1.00 0.41 O ATOM 267 CB MET A 46 13.764 4.461 2.243 1.00 0.33 C ATOM 268 CG MET A 46 14.290 3.048 2.402 1.00 0.39 C ATOM 269 SD MET A 46 16.056 3.020 2.770 1.00 0.49 S ATOM 270 CE MET A 46 16.678 4.171 1.543 1.00 0.49 C ATOM 0 H MET A 46 12.365 3.424 0.448 1.00 0.26 H new ATOM 0 HA MET A 46 11.836 4.126 3.095 1.00 0.28 H new ATOM 0 HB2 MET A 46 14.177 4.887 1.329 1.00 0.33 H new ATOM 0 HB3 MET A 46 14.132 5.066 3.071 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.745 2.547 3.202 1.00 0.39 H new ATOM 0 HG3 MET A 46 14.102 2.486 1.487 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.733 3.969 1.357 1.00 0.49 H new ATOM 0 HE2 MET A 46 16.117 4.053 0.616 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.563 5.191 1.910 1.00 0.49 H new ATOM 280 N ASN A 47 11.737 6.557 0.897 1.00 0.24 N ATOM 281 CA ASN A 47 11.425 7.957 0.716 1.00 0.30 C ATOM 282 C ASN A 47 9.927 8.172 0.847 1.00 0.26 C ATOM 283 O ASN A 47 9.488 9.244 1.238 1.00 0.27 O ATOM 284 CB ASN A 47 11.894 8.428 -0.666 1.00 0.42 C ATOM 285 CG ASN A 47 11.686 9.916 -0.893 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.936 10.719 0.126 1.00 1.61 O flip ATOM 287 ND2 ASN A 47 11.335 10.347 -1.992 1.00 1.42 N flip ATOM 0 H ASN A 47 11.828 6.026 0.031 1.00 0.24 H new ATOM 0 HA ASN A 47 11.941 8.535 1.483 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.952 8.193 -0.783 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.357 7.871 -1.434 1.00 0.42 H new ATOM 0 HD21 ASN A 47 11.150 9.700 -2.758 1.00 1.42 H new ATOM 0 HD22 ASN A 47 11.230 11.351 -2.136 1.00 1.42 H new ATOM 294 N ASP A 48 9.145 7.135 0.558 1.00 0.24 N ATOM 295 CA ASP A 48 7.690 7.246 0.566 1.00 0.24 C ATOM 296 C ASP A 48 7.170 7.240 1.998 1.00 0.25 C ATOM 297 O ASP A 48 6.407 8.121 2.398 1.00 0.30 O ATOM 298 CB ASP A 48 7.047 6.086 -0.210 1.00 0.25 C ATOM 299 CG ASP A 48 7.069 6.259 -1.721 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.599 7.278 -2.211 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.536 5.375 -2.431 1.00 0.74 O ATOM 0 H ASP A 48 9.495 6.208 0.315 1.00 0.24 H new ATOM 0 HA ASP A 48 7.423 8.186 0.083 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.564 5.161 0.046 1.00 0.25 H new ATOM 0 HB3 ASP A 48 6.013 5.974 0.117 1.00 0.25 H new ATOM 306 N LYS A 49 7.597 6.240 2.768 1.00 0.22 N ATOM 307 CA LYS A 49 7.182 6.103 4.162 1.00 0.27 C ATOM 308 C LYS A 49 7.652 7.298 4.978 1.00 0.32 C ATOM 309 O LYS A 49 7.018 7.693 5.956 1.00 0.44 O ATOM 310 CB LYS A 49 7.751 4.810 4.751 1.00 0.31 C ATOM 311 CG LYS A 49 6.795 4.076 5.680 1.00 0.59 C ATOM 312 CD LYS A 49 6.440 4.897 6.904 1.00 0.92 C ATOM 313 CE LYS A 49 5.239 4.307 7.622 1.00 1.45 C ATOM 314 NZ LYS A 49 4.838 5.111 8.804 1.00 2.10 N ATOM 0 H LYS A 49 8.233 5.510 2.447 1.00 0.22 H new ATOM 0 HA LYS A 49 6.093 6.064 4.199 1.00 0.27 H new ATOM 0 HB2 LYS A 49 8.030 4.144 3.935 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.664 5.044 5.298 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.884 3.825 5.136 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.248 3.136 5.995 1.00 0.59 H new ATOM 0 HD2 LYS A 49 7.293 4.933 7.582 1.00 0.92 H new ATOM 0 HD3 LYS A 49 6.224 5.924 6.608 1.00 0.92 H new ATOM 0 HE2 LYS A 49 4.400 4.241 6.929 1.00 1.45 H new ATOM 0 HE3 LYS A 49 5.471 3.290 7.939 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 3.965 4.718 9.211 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 5.595 5.083 9.516 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 4.672 6.096 8.514 1.00 2.10 H new ATOM 328 N LYS A 50 8.741 7.898 4.540 1.00 0.30 N ATOM 329 CA LYS A 50 9.313 9.024 5.248 1.00 0.37 C ATOM 330 C LYS A 50 8.623 10.300 4.794 1.00 0.39 C ATOM 331 O LYS A 50 8.346 11.188 5.598 1.00 0.43 O ATOM 332 CB LYS A 50 10.822 9.101 5.002 1.00 0.42 C ATOM 333 CG LYS A 50 11.523 10.177 5.817 1.00 1.14 C ATOM 334 CD LYS A 50 13.036 10.094 5.674 1.00 1.67 C ATOM 335 CE LYS A 50 13.587 8.796 6.247 1.00 2.35 C ATOM 336 NZ LYS A 50 15.071 8.751 6.204 1.00 3.05 N ATOM 0 H LYS A 50 9.247 7.624 3.698 1.00 0.30 H new ATOM 0 HA LYS A 50 9.159 8.897 6.320 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.268 8.134 5.234 1.00 0.42 H new ATOM 0 HB3 LYS A 50 10.999 9.288 3.943 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.180 11.160 5.494 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.250 10.074 6.867 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.306 10.170 4.621 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.496 10.941 6.183 1.00 1.67 H new ATOM 0 HE2 LYS A 50 13.251 8.684 7.278 1.00 2.35 H new ATOM 0 HE3 LYS A 50 13.183 7.953 5.687 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 15.403 7.850 6.604 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 15.392 8.831 5.218 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 15.458 9.540 6.760 1.00 3.05 H new ATOM 350 N LEU A 51 8.335 10.376 3.497 1.00 0.38 N ATOM 351 CA LEU A 51 7.588 11.490 2.935 1.00 0.44 C ATOM 352 C LEU A 51 6.220 11.610 3.586 1.00 0.42 C ATOM 353 O LEU A 51 5.818 12.700 3.983 1.00 0.47 O ATOM 354 CB LEU A 51 7.422 11.319 1.425 1.00 0.48 C ATOM 355 CG LEU A 51 6.757 12.488 0.705 1.00 0.70 C ATOM 356 CD1 LEU A 51 7.609 13.742 0.821 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.512 12.140 -0.753 1.00 1.22 C ATOM 0 H LEU A 51 8.612 9.671 2.813 1.00 0.38 H new ATOM 0 HA LEU A 51 8.153 12.401 3.132 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.405 11.155 0.984 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.835 10.419 1.240 1.00 0.48 H new ATOM 0 HG LEU A 51 5.795 12.685 1.179 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.118 14.565 0.301 1.00 1.10 H new ATOM 0 HD12 LEU A 51 7.735 14.000 1.872 1.00 1.10 H new ATOM 0 HD13 LEU A 51 8.586 13.561 0.373 1.00 1.10 H new ATOM 0 HD21 LEU A 51 6.037 12.984 -1.254 1.00 1.22 H new ATOM 0 HD22 LEU A 51 7.462 11.918 -1.239 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.861 11.268 -0.814 1.00 1.22 H new ATOM 369 N MET A 52 5.511 10.489 3.727 1.00 0.39 N ATOM 370 CA MET A 52 4.189 10.503 4.336 1.00 0.37 C ATOM 371 C MET A 52 4.279 10.927 5.801 1.00 0.41 C ATOM 372 O MET A 52 3.361 11.539 6.343 1.00 0.47 O ATOM 373 CB MET A 52 3.519 9.127 4.207 1.00 0.33 C ATOM 374 CG MET A 52 3.009 8.826 2.817 1.00 1.29 C ATOM 375 SD MET A 52 2.094 7.277 2.720 1.00 1.25 S ATOM 376 CE MET A 52 3.389 6.083 3.009 1.00 0.31 C ATOM 0 H MET A 52 5.831 9.568 3.429 1.00 0.39 H new ATOM 0 HA MET A 52 3.574 11.231 3.807 1.00 0.37 H new ATOM 0 HB2 MET A 52 4.234 8.357 4.497 1.00 0.33 H new ATOM 0 HB3 MET A 52 2.687 9.071 4.909 1.00 0.33 H new ATOM 0 HG2 MET A 52 2.366 9.642 2.488 1.00 1.29 H new ATOM 0 HG3 MET A 52 3.852 8.787 2.128 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.949 5.097 3.155 1.00 0.31 H new ATOM 0 HE2 MET A 52 4.059 6.058 2.150 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.951 6.364 3.899 1.00 0.31 H new ATOM 386 N SER A 53 5.407 10.625 6.425 1.00 0.40 N ATOM 387 CA SER A 53 5.645 11.011 7.807 1.00 0.47 C ATOM 388 C SER A 53 6.050 12.487 7.901 1.00 0.50 C ATOM 389 O SER A 53 6.010 13.086 8.974 1.00 0.62 O ATOM 390 CB SER A 53 6.732 10.117 8.412 1.00 0.52 C ATOM 391 OG SER A 53 6.873 10.336 9.804 1.00 1.15 O ATOM 0 H SER A 53 6.175 10.111 5.994 1.00 0.40 H new ATOM 0 HA SER A 53 4.721 10.881 8.370 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.486 9.071 8.231 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.682 10.311 7.915 1.00 0.52 H new ATOM 0 HG SER A 53 7.573 9.749 10.158 1.00 1.15 H new ATOM 397 N SER A 54 6.421 13.077 6.770 1.00 0.49 N ATOM 398 CA SER A 54 6.863 14.469 6.740 1.00 0.53 C ATOM 399 C SER A 54 5.727 15.388 6.297 1.00 0.53 C ATOM 400 O SER A 54 5.836 16.613 6.363 1.00 0.53 O ATOM 401 CB SER A 54 8.059 14.620 5.798 1.00 0.60 C ATOM 402 OG SER A 54 9.101 13.723 6.150 1.00 1.30 O ATOM 0 H SER A 54 6.425 12.614 5.861 1.00 0.49 H new ATOM 0 HA SER A 54 7.164 14.756 7.747 1.00 0.53 H new ATOM 0 HB2 SER A 54 7.744 14.432 4.772 1.00 0.60 H new ATOM 0 HB3 SER A 54 8.429 15.645 5.835 1.00 0.60 H new ATOM 0 HG SER A 54 8.779 12.801 6.071 1.00 1.30 H new ATOM 408 N LEU A 55 4.640 14.782 5.849 1.00 0.54 N ATOM 409 CA LEU A 55 3.484 15.527 5.371 1.00 0.57 C ATOM 410 C LEU A 55 2.459 15.708 6.491 1.00 0.65 C ATOM 411 O LEU A 55 1.856 14.740 6.943 1.00 0.65 O ATOM 412 CB LEU A 55 2.854 14.808 4.174 1.00 0.51 C ATOM 413 CG LEU A 55 3.747 14.704 2.933 1.00 0.53 C ATOM 414 CD1 LEU A 55 3.057 13.899 1.841 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.116 16.087 2.419 1.00 0.64 C ATOM 0 H LEU A 55 4.533 13.769 5.806 1.00 0.54 H new ATOM 0 HA LEU A 55 3.814 16.515 5.051 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.570 13.802 4.483 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.936 15.328 3.899 1.00 0.51 H new ATOM 0 HG LEU A 55 4.663 14.186 3.217 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.708 13.837 0.969 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.845 12.895 2.208 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.123 14.388 1.563 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.750 15.990 1.538 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.209 16.631 2.156 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.654 16.632 3.195 1.00 0.64 H new ATOM 427 N PRO A 56 2.254 16.955 6.960 1.00 0.81 N ATOM 428 CA PRO A 56 1.317 17.257 8.056 1.00 0.94 C ATOM 429 C PRO A 56 -0.144 17.072 7.649 1.00 0.88 C ATOM 430 O PRO A 56 -1.037 16.977 8.495 1.00 1.19 O ATOM 431 CB PRO A 56 1.587 18.735 8.376 1.00 1.14 C ATOM 432 CG PRO A 56 2.857 19.076 7.669 1.00 1.26 C ATOM 433 CD PRO A 56 2.924 18.169 6.477 1.00 0.98 C ATOM 0 HA PRO A 56 1.469 16.586 8.902 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.767 19.366 8.034 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.683 18.892 9.450 1.00 1.14 H new ATOM 0 HG2 PRO A 56 2.865 20.122 7.364 1.00 1.26 H new ATOM 0 HG3 PRO A 56 3.718 18.928 8.321 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.415 18.597 5.613 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.953 17.972 6.175 1.00 0.98 H new ATOM 441 N ASN A 57 -0.373 17.017 6.347 1.00 0.63 N ATOM 442 CA ASN A 57 -1.717 16.845 5.807 1.00 0.62 C ATOM 443 C ASN A 57 -2.052 15.364 5.699 1.00 0.57 C ATOM 444 O ASN A 57 -3.216 14.985 5.548 1.00 0.59 O ATOM 445 CB ASN A 57 -1.845 17.517 4.432 1.00 0.68 C ATOM 446 CG ASN A 57 -0.904 16.937 3.388 1.00 1.32 C ATOM 447 OD1 ASN A 57 0.199 16.488 3.699 1.00 2.22 O ATOM 448 ND2 ASN A 57 -1.333 16.947 2.135 1.00 1.73 N ATOM 0 H ASN A 57 0.357 17.089 5.639 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.423 17.322 6.488 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -2.872 17.417 4.081 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -1.647 18.584 4.537 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.743 16.574 1.391 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -2.253 17.327 1.914 1.00 1.73 H new ATOM 455 N PHE A 58 -1.014 14.540 5.792 1.00 0.62 N ATOM 456 CA PHE A 58 -1.144 13.096 5.657 1.00 0.70 C ATOM 457 C PHE A 58 -2.116 12.521 6.680 1.00 0.90 C ATOM 458 O PHE A 58 -2.998 11.767 6.322 1.00 1.77 O ATOM 459 CB PHE A 58 0.222 12.429 5.791 1.00 0.69 C ATOM 460 CG PHE A 58 0.206 10.939 5.596 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.165 10.391 4.381 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.584 10.089 6.622 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.157 9.022 4.193 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.591 8.720 6.440 1.00 1.15 C ATOM 465 CZ PHE A 58 0.221 8.186 5.223 1.00 0.69 C ATOM 0 H PHE A 58 -0.059 14.856 5.963 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.547 12.890 4.666 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.902 12.871 5.063 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.625 12.650 6.779 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.464 11.040 3.571 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.877 10.502 7.576 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.447 8.606 3.239 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.886 8.068 7.249 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.227 7.116 5.077 1.00 0.69 H new ATOM 475 N SER A 59 -1.935 12.867 7.950 1.00 0.91 N ATOM 476 CA SER A 59 -2.798 12.373 9.030 1.00 1.02 C ATOM 477 C SER A 59 -4.300 12.401 8.680 1.00 1.10 C ATOM 478 O SER A 59 -5.045 11.494 9.069 1.00 1.84 O ATOM 479 CB SER A 59 -2.542 13.185 10.305 1.00 1.21 C ATOM 480 OG SER A 59 -3.288 12.684 11.404 1.00 1.84 O ATOM 0 H SER A 59 -1.193 13.493 8.264 1.00 0.91 H new ATOM 0 HA SER A 59 -2.539 11.326 9.185 1.00 1.02 H new ATOM 0 HB2 SER A 59 -1.479 13.160 10.545 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.806 14.228 10.131 1.00 1.21 H new ATOM 0 HG SER A 59 -3.100 13.224 12.200 1.00 1.84 H new ATOM 486 N GLY A 60 -4.748 13.423 7.953 1.00 0.91 N ATOM 487 CA GLY A 60 -6.167 13.556 7.670 1.00 0.87 C ATOM 488 C GLY A 60 -6.622 12.778 6.447 1.00 0.66 C ATOM 489 O GLY A 60 -7.801 12.445 6.326 1.00 0.73 O ATOM 0 H GLY A 60 -4.159 14.156 7.558 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.734 13.217 8.537 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.403 14.611 7.527 1.00 0.87 H new ATOM 493 N ILE A 61 -5.701 12.496 5.541 1.00 0.50 N ATOM 494 CA ILE A 61 -6.027 11.789 4.309 1.00 0.54 C ATOM 495 C ILE A 61 -5.375 10.412 4.305 1.00 0.73 C ATOM 496 O ILE A 61 -4.415 10.186 5.025 1.00 1.81 O ATOM 497 CB ILE A 61 -5.562 12.593 3.068 1.00 0.58 C ATOM 498 CG1 ILE A 61 -4.057 12.872 3.145 1.00 0.64 C ATOM 499 CG2 ILE A 61 -6.343 13.896 2.962 1.00 0.79 C ATOM 500 CD1 ILE A 61 -3.530 13.733 2.015 1.00 0.78 C ATOM 0 H ILE A 61 -4.717 12.746 5.634 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.110 11.675 4.261 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.755 11.999 2.175 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.837 13.361 4.094 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.522 11.923 3.144 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -6.007 14.451 2.086 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -7.406 13.676 2.866 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -6.176 14.494 3.857 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.458 13.884 2.142 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -3.716 13.237 1.062 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -4.036 14.698 2.026 1.00 0.78 H new ATOM 512 N PHE A 62 -5.910 9.488 3.519 1.00 0.58 N ATOM 513 CA PHE A 62 -5.310 8.160 3.346 1.00 0.50 C ATOM 514 C PHE A 62 -5.409 7.322 4.619 1.00 0.51 C ATOM 515 O PHE A 62 -4.673 7.535 5.585 1.00 0.76 O ATOM 516 CB PHE A 62 -3.843 8.258 2.922 1.00 0.50 C ATOM 517 CG PHE A 62 -3.592 9.176 1.765 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.493 9.275 0.720 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.442 9.939 1.725 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.247 10.118 -0.337 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.192 10.783 0.668 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.097 10.871 -0.366 1.00 0.59 C ATOM 0 H PHE A 62 -6.767 9.630 2.984 1.00 0.58 H new ATOM 0 HA PHE A 62 -5.878 7.668 2.556 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.253 8.597 3.774 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.485 7.261 2.663 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.397 8.685 0.735 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.730 9.872 2.534 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -4.958 10.189 -1.146 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.289 11.375 0.649 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.904 11.531 -1.199 1.00 0.59 H new ATOM 532 N THR A 63 -6.298 6.348 4.605 1.00 0.34 N ATOM 533 CA THR A 63 -6.493 5.491 5.757 1.00 0.38 C ATOM 534 C THR A 63 -5.576 4.263 5.692 1.00 0.30 C ATOM 535 O THR A 63 -4.887 3.937 6.659 1.00 0.38 O ATOM 536 CB THR A 63 -7.964 5.039 5.857 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.828 6.183 5.849 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.208 4.233 7.125 1.00 0.66 C ATOM 0 H THR A 63 -6.897 6.131 3.808 1.00 0.34 H new ATOM 0 HA THR A 63 -6.238 6.069 6.646 1.00 0.38 H new ATOM 0 HB THR A 63 -8.179 4.405 4.997 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.761 5.889 5.911 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.254 3.929 7.167 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.572 3.348 7.121 1.00 0.66 H new ATOM 0 HG23 THR A 63 -7.973 4.845 7.996 1.00 0.66 H new ATOM 546 N HIS A 64 -5.557 3.598 4.542 1.00 0.26 N ATOM 547 CA HIS A 64 -4.824 2.336 4.408 1.00 0.25 C ATOM 548 C HIS A 64 -3.393 2.532 3.928 1.00 0.25 C ATOM 549 O HIS A 64 -2.543 1.676 4.154 1.00 0.54 O ATOM 550 CB HIS A 64 -5.549 1.388 3.454 1.00 0.33 C ATOM 551 CG HIS A 64 -6.804 0.816 4.026 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.115 -0.522 3.968 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.830 1.412 4.670 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.282 -0.720 4.555 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.738 0.439 4.991 1.00 0.68 N ATOM 0 H HIS A 64 -6.035 3.905 3.694 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.783 1.901 5.407 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.788 1.923 2.535 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -4.878 0.573 3.183 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.537 -1.246 3.540 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -7.918 2.465 4.892 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.780 -1.672 4.660 1.00 0.83 H new ATOM 0 HE2 HIS A 64 -9.619 0.585 5.484 1.00 0.68 H new ATOM 564 N LEU A 65 -3.123 3.667 3.297 1.00 0.32 N ATOM 565 CA LEU A 65 -1.858 3.875 2.590 1.00 0.22 C ATOM 566 C LEU A 65 -0.663 3.780 3.543 1.00 0.20 C ATOM 567 O LEU A 65 0.356 3.171 3.215 1.00 0.24 O ATOM 568 CB LEU A 65 -1.866 5.232 1.861 1.00 0.29 C ATOM 569 CG LEU A 65 -2.774 5.335 0.612 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.335 4.364 -0.464 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.236 5.103 0.961 1.00 0.99 C ATOM 0 H LEU A 65 -3.762 4.461 3.258 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.754 3.082 1.850 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.173 6.000 2.571 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.844 5.465 1.561 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.674 6.350 0.227 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.991 4.459 -1.329 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.310 4.588 -0.760 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.388 3.346 -0.079 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.843 5.183 0.059 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.354 4.108 1.390 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.561 5.851 1.684 1.00 0.99 H new ATOM 583 N GLU A 66 -0.805 4.371 4.728 1.00 0.30 N ATOM 584 CA GLU A 66 0.240 4.339 5.751 1.00 0.40 C ATOM 585 C GLU A 66 0.662 2.901 6.065 1.00 0.38 C ATOM 586 O GLU A 66 1.830 2.534 5.910 1.00 0.38 O ATOM 587 CB GLU A 66 -0.275 5.038 7.022 1.00 0.53 C ATOM 588 CG GLU A 66 0.792 5.355 8.070 1.00 0.88 C ATOM 589 CD GLU A 66 1.254 4.143 8.860 1.00 1.12 C ATOM 590 OE1 GLU A 66 0.399 3.371 9.333 1.00 1.75 O ATOM 591 OE2 GLU A 66 2.477 3.976 9.039 1.00 1.75 O ATOM 0 H GLU A 66 -1.642 4.883 5.006 1.00 0.30 H new ATOM 0 HA GLU A 66 1.118 4.865 5.375 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.764 5.968 6.733 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.036 4.407 7.481 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.653 5.804 7.574 1.00 0.88 H new ATOM 0 HG3 GLU A 66 0.399 6.100 8.762 1.00 0.88 H new ATOM 598 N ARG A 67 -0.302 2.092 6.488 1.00 0.42 N ATOM 599 CA ARG A 67 -0.026 0.725 6.916 1.00 0.44 C ATOM 600 C ARG A 67 0.437 -0.144 5.749 1.00 0.39 C ATOM 601 O ARG A 67 1.122 -1.150 5.943 1.00 0.40 O ATOM 602 CB ARG A 67 -1.274 0.110 7.543 1.00 0.54 C ATOM 603 CG ARG A 67 -1.017 -1.219 8.235 1.00 0.74 C ATOM 604 CD ARG A 67 -2.211 -2.143 8.102 1.00 0.86 C ATOM 605 NE ARG A 67 -2.416 -2.534 6.711 1.00 1.08 N ATOM 606 CZ ARG A 67 -3.508 -2.270 6.004 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.558 -1.688 6.570 1.00 1.71 N ATOM 608 NH2 ARG A 67 -3.539 -2.622 4.729 1.00 2.07 N ATOM 0 H ARG A 67 -1.285 2.360 6.544 1.00 0.42 H new ATOM 0 HA ARG A 67 0.776 0.765 7.653 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.690 0.812 8.266 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.027 -0.033 6.768 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.136 -1.693 7.802 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.801 -1.048 9.290 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.058 -3.031 8.715 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.104 -1.646 8.479 1.00 0.86 H new ATOM 0 HE ARG A 67 -1.666 -3.047 6.248 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.531 -1.439 7.559 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.391 -1.490 6.016 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -2.734 -3.086 4.308 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.368 -2.429 4.167 1.00 2.07 H new ATOM 622 N LEU A 68 0.073 0.249 4.537 1.00 0.35 N ATOM 623 CA LEU A 68 0.436 -0.513 3.351 1.00 0.34 C ATOM 624 C LEU A 68 1.936 -0.471 3.088 1.00 0.31 C ATOM 625 O LEU A 68 2.474 -1.351 2.426 1.00 0.40 O ATOM 626 CB LEU A 68 -0.340 -0.021 2.135 1.00 0.33 C ATOM 627 CG LEU A 68 -1.766 -0.552 2.035 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.499 0.133 0.904 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.767 -2.058 1.824 1.00 0.61 C ATOM 0 H LEU A 68 -0.473 1.090 4.349 1.00 0.35 H new ATOM 0 HA LEU A 68 0.167 -1.553 3.536 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.373 1.068 2.157 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.204 -0.305 1.234 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.279 -0.336 2.972 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.516 -0.254 0.842 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.530 1.207 1.088 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.980 -0.059 -0.035 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.795 -2.415 1.756 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.238 -2.296 0.901 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.269 -2.543 2.664 1.00 0.61 H new ATOM 641 N LEU A 69 2.621 0.522 3.640 1.00 0.27 N ATOM 642 CA LEU A 69 4.075 0.548 3.541 1.00 0.24 C ATOM 643 C LEU A 69 4.659 -0.299 4.657 1.00 0.25 C ATOM 644 O LEU A 69 5.721 -0.919 4.519 1.00 0.26 O ATOM 645 CB LEU A 69 4.655 1.968 3.592 1.00 0.25 C ATOM 646 CG LEU A 69 4.721 2.705 2.247 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.992 3.516 2.141 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.625 1.734 1.085 1.00 0.30 C ATOM 0 H LEU A 69 2.206 1.303 4.149 1.00 0.27 H new ATOM 0 HA LEU A 69 4.348 0.141 2.567 1.00 0.24 H new ATOM 0 HB2 LEU A 69 4.056 2.562 4.282 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.661 1.916 4.007 1.00 0.25 H new ATOM 0 HG LEU A 69 3.868 3.382 2.200 1.00 0.23 H new ATOM 0 HD11 LEU A 69 6.017 4.029 1.180 1.00 0.25 H new ATOM 0 HD12 LEU A 69 6.023 4.251 2.946 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.854 2.854 2.221 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.674 2.285 0.146 1.00 0.30 H new ATOM 0 HD22 LEU A 69 5.452 1.025 1.134 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.680 1.194 1.139 1.00 0.30 H new ATOM 660 N ASP A 70 3.919 -0.391 5.745 1.00 0.29 N ATOM 661 CA ASP A 70 4.363 -1.182 6.867 1.00 0.35 C ATOM 662 C ASP A 70 4.363 -2.640 6.459 1.00 0.38 C ATOM 663 O ASP A 70 5.262 -3.389 6.818 1.00 0.43 O ATOM 664 CB ASP A 70 3.483 -0.954 8.093 1.00 0.43 C ATOM 665 CG ASP A 70 3.816 -1.902 9.226 1.00 0.91 C ATOM 666 OD1 ASP A 70 4.852 -1.701 9.895 1.00 1.62 O ATOM 667 OD2 ASP A 70 3.053 -2.861 9.451 1.00 1.56 O ATOM 0 H ASP A 70 3.017 0.068 5.872 1.00 0.29 H new ATOM 0 HA ASP A 70 5.372 -0.879 7.145 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.601 0.074 8.436 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.437 -1.078 7.814 1.00 0.43 H new ATOM 672 N GLU A 71 3.352 -3.042 5.689 1.00 0.42 N ATOM 673 CA GLU A 71 3.351 -4.350 5.053 1.00 0.50 C ATOM 674 C GLU A 71 4.394 -4.428 3.949 1.00 0.45 C ATOM 675 O GLU A 71 5.254 -5.296 3.976 1.00 0.48 O ATOM 676 CB GLU A 71 1.994 -4.639 4.431 1.00 0.61 C ATOM 677 CG GLU A 71 0.840 -4.661 5.408 1.00 0.94 C ATOM 678 CD GLU A 71 -0.475 -4.889 4.699 1.00 1.47 C ATOM 679 OE1 GLU A 71 -1.291 -3.955 4.657 1.00 2.14 O ATOM 680 OE2 GLU A 71 -0.676 -5.994 4.151 1.00 2.18 O ATOM 0 H GLU A 71 2.525 -2.477 5.493 1.00 0.42 H new ATOM 0 HA GLU A 71 3.580 -5.081 5.828 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.792 -3.887 3.669 1.00 0.61 H new ATOM 0 HB3 GLU A 71 2.040 -5.603 3.924 1.00 0.61 H new ATOM 0 HG2 GLU A 71 1.000 -5.448 6.145 1.00 0.94 H new ATOM 0 HG3 GLU A 71 0.803 -3.717 5.952 1.00 0.94 H new ATOM 687 N GLU A 72 4.321 -3.498 2.992 1.00 0.43 N ATOM 688 CA GLU A 72 5.145 -3.551 1.781 1.00 0.45 C ATOM 689 C GLU A 72 6.630 -3.534 2.131 1.00 0.42 C ATOM 690 O GLU A 72 7.389 -4.401 1.710 1.00 0.47 O ATOM 691 CB GLU A 72 4.810 -2.361 0.875 1.00 0.46 C ATOM 692 CG GLU A 72 5.814 -2.118 -0.239 1.00 0.57 C ATOM 693 CD GLU A 72 5.386 -2.663 -1.581 1.00 0.91 C ATOM 694 OE1 GLU A 72 5.534 -1.929 -2.592 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.907 -3.812 -1.642 1.00 1.33 O ATOM 0 H GLU A 72 3.695 -2.694 3.034 1.00 0.43 H new ATOM 0 HA GLU A 72 4.928 -4.481 1.256 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.827 -2.522 0.433 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.740 -1.462 1.487 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.986 -1.046 -0.332 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.766 -2.570 0.039 1.00 0.57 H new ATOM 702 N ILE A 73 7.013 -2.571 2.949 1.00 0.35 N ATOM 703 CA ILE A 73 8.399 -2.401 3.343 1.00 0.34 C ATOM 704 C ILE A 73 8.855 -3.603 4.146 1.00 0.40 C ATOM 705 O ILE A 73 9.954 -4.114 3.947 1.00 0.45 O ATOM 706 CB ILE A 73 8.585 -1.105 4.160 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.495 0.100 3.227 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.900 -1.100 4.928 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.585 1.427 3.934 1.00 0.27 C ATOM 0 H ILE A 73 6.375 -1.888 3.357 1.00 0.35 H new ATOM 0 HA ILE A 73 9.009 -2.321 2.443 1.00 0.34 H new ATOM 0 HB ILE A 73 7.788 -1.050 4.901 1.00 0.29 H new ATOM 0 HG12 ILE A 73 9.295 0.037 2.490 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.553 0.054 2.680 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.990 -0.170 5.489 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.922 -1.944 5.618 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.731 -1.183 4.227 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.513 2.234 3.204 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.769 1.513 4.651 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.538 1.496 4.459 1.00 0.27 H new ATOM 721 N SER A 74 7.984 -4.081 5.015 1.00 0.41 N ATOM 722 CA SER A 74 8.322 -5.230 5.851 1.00 0.49 C ATOM 723 C SER A 74 8.471 -6.510 5.017 1.00 0.54 C ATOM 724 O SER A 74 9.405 -7.288 5.222 1.00 0.60 O ATOM 725 CB SER A 74 7.270 -5.435 6.939 1.00 0.52 C ATOM 726 OG SER A 74 7.613 -6.496 7.811 1.00 1.34 O ATOM 0 H SER A 74 7.049 -3.702 5.164 1.00 0.41 H new ATOM 0 HA SER A 74 9.282 -5.018 6.321 1.00 0.49 H new ATOM 0 HB2 SER A 74 7.157 -4.515 7.513 1.00 0.52 H new ATOM 0 HB3 SER A 74 6.305 -5.643 6.477 1.00 0.52 H new ATOM 0 HG SER A 74 6.917 -6.596 8.494 1.00 1.34 H new ATOM 732 N ARG A 75 7.565 -6.720 4.066 1.00 0.55 N ATOM 733 CA ARG A 75 7.582 -7.943 3.268 1.00 0.63 C ATOM 734 C ARG A 75 8.728 -7.916 2.265 1.00 0.65 C ATOM 735 O ARG A 75 9.338 -8.944 1.989 1.00 0.72 O ATOM 736 CB ARG A 75 6.237 -8.192 2.562 1.00 0.74 C ATOM 737 CG ARG A 75 5.773 -7.073 1.639 1.00 0.76 C ATOM 738 CD ARG A 75 4.469 -7.431 0.934 1.00 1.25 C ATOM 739 NE ARG A 75 3.404 -7.768 1.884 1.00 1.84 N ATOM 740 CZ ARG A 75 2.262 -7.085 2.014 1.00 2.73 C ATOM 741 NH1 ARG A 75 2.011 -6.035 1.240 1.00 3.05 N ATOM 742 NH2 ARG A 75 1.363 -7.464 2.917 1.00 3.67 N ATOM 0 H ARG A 75 6.817 -6.067 3.830 1.00 0.55 H new ATOM 0 HA ARG A 75 7.742 -8.776 3.953 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.314 -9.112 1.982 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.472 -8.357 3.320 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.636 -6.158 2.216 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.545 -6.869 0.897 1.00 0.76 H new ATOM 0 HD2 ARG A 75 4.150 -6.593 0.315 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.638 -8.275 0.265 1.00 1.25 H new ATOM 0 HE ARG A 75 3.544 -8.579 2.487 1.00 1.84 H new ATOM 0 HH11 ARG A 75 2.692 -5.744 0.539 1.00 3.05 H new ATOM 0 HH12 ARG A 75 1.137 -5.520 1.347 1.00 3.05 H new ATOM 0 HH21 ARG A 75 1.545 -8.274 3.509 1.00 3.67 H new ATOM 0 HH22 ARG A 75 0.491 -6.944 3.018 1.00 3.67 H new ATOM 756 N VAL A 76 9.038 -6.733 1.748 1.00 0.62 N ATOM 757 CA VAL A 76 10.170 -6.567 0.843 1.00 0.67 C ATOM 758 C VAL A 76 11.491 -6.814 1.575 1.00 0.71 C ATOM 759 O VAL A 76 12.449 -7.315 0.990 1.00 0.84 O ATOM 760 CB VAL A 76 10.169 -5.160 0.196 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.456 -4.895 -0.570 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.975 -5.014 -0.730 1.00 0.58 C ATOM 0 H VAL A 76 8.522 -5.874 1.940 1.00 0.62 H new ATOM 0 HA VAL A 76 10.069 -7.306 0.048 1.00 0.67 H new ATOM 0 HB VAL A 76 10.100 -4.425 0.998 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.419 -3.898 -1.010 1.00 0.64 H new ATOM 0 HG12 VAL A 76 12.305 -4.960 0.111 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.568 -5.637 -1.361 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.983 -4.021 -1.180 1.00 0.58 H new ATOM 0 HG22 VAL A 76 9.029 -5.769 -1.515 1.00 0.58 H new ATOM 0 HG23 VAL A 76 8.055 -5.147 -0.161 1.00 0.58 H new ATOM 772 N ARG A 77 11.519 -6.504 2.866 1.00 0.65 N ATOM 773 CA ARG A 77 12.722 -6.705 3.669 1.00 0.73 C ATOM 774 C ARG A 77 12.898 -8.180 4.007 1.00 0.86 C ATOM 775 O ARG A 77 14.018 -8.664 4.178 1.00 0.98 O ATOM 776 CB ARG A 77 12.670 -5.885 4.961 1.00 0.75 C ATOM 777 CG ARG A 77 12.794 -4.386 4.748 1.00 0.81 C ATOM 778 CD ARG A 77 12.786 -3.636 6.071 1.00 0.84 C ATOM 779 NE ARG A 77 13.926 -3.999 6.913 1.00 1.39 N ATOM 780 CZ ARG A 77 13.978 -3.797 8.230 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.954 -3.240 8.867 1.00 1.45 N ATOM 782 NH2 ARG A 77 15.058 -4.153 8.914 1.00 2.73 N ATOM 0 H ARG A 77 10.728 -6.114 3.378 1.00 0.65 H new ATOM 0 HA ARG A 77 13.573 -6.367 3.078 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.730 -6.092 5.473 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.472 -6.215 5.621 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.717 -4.168 4.210 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.971 -4.036 4.124 1.00 0.81 H new ATOM 0 HD2 ARG A 77 12.804 -2.563 5.880 1.00 0.84 H new ATOM 0 HD3 ARG A 77 11.859 -3.850 6.603 1.00 0.84 H new ATOM 0 HE ARG A 77 14.732 -4.434 6.464 1.00 1.39 H new ATOM 0 HH11 ARG A 77 12.120 -2.964 8.349 1.00 1.45 H new ATOM 0 HH12 ARG A 77 13.001 -3.089 9.875 1.00 1.45 H new ATOM 0 HH21 ARG A 77 15.849 -4.581 8.432 1.00 2.73 H new ATOM 0 HH22 ARG A 77 15.098 -3.998 9.921 1.00 2.73 H new ATOM 796 N LYS A 78 11.783 -8.893 4.093 1.00 0.90 N ATOM 797 CA LYS A 78 11.806 -10.298 4.429 1.00 1.08 C ATOM 798 C LYS A 78 12.059 -11.137 3.180 1.00 1.11 C ATOM 799 O LYS A 78 12.821 -12.101 3.218 1.00 1.32 O ATOM 800 CB LYS A 78 10.493 -10.672 5.143 1.00 1.13 C ATOM 801 CG LYS A 78 10.070 -12.123 4.993 1.00 1.35 C ATOM 802 CD LYS A 78 9.197 -12.303 3.765 1.00 2.01 C ATOM 803 CE LYS A 78 7.754 -11.903 4.030 1.00 2.67 C ATOM 804 NZ LYS A 78 6.875 -12.211 2.869 1.00 3.44 N ATOM 0 H LYS A 78 10.850 -8.513 3.933 1.00 0.90 H new ATOM 0 HA LYS A 78 12.626 -10.508 5.115 1.00 1.08 H new ATOM 0 HB2 LYS A 78 10.598 -10.448 6.205 1.00 1.13 H new ATOM 0 HB3 LYS A 78 9.695 -10.035 4.760 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.952 -12.758 4.914 1.00 1.35 H new ATOM 0 HG3 LYS A 78 9.526 -12.442 5.882 1.00 1.35 H new ATOM 0 HD2 LYS A 78 9.595 -11.704 2.946 1.00 2.01 H new ATOM 0 HD3 LYS A 78 9.232 -13.344 3.445 1.00 2.01 H new ATOM 0 HE2 LYS A 78 7.388 -12.427 4.913 1.00 2.67 H new ATOM 0 HE3 LYS A 78 7.707 -10.836 4.249 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 5.899 -11.924 3.087 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 7.210 -11.692 2.033 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 6.901 -13.232 2.675 1.00 3.44 H new ATOM 999 N THR B 38 -12.667 -7.189 4.732 1.00 0.97 N ATOM 1000 CA THR B 38 -14.112 -7.106 4.865 1.00 0.84 C ATOM 1001 C THR B 38 -14.659 -6.030 3.931 1.00 0.72 C ATOM 1002 O THR B 38 -13.885 -5.223 3.410 1.00 0.66 O ATOM 1003 CB THR B 38 -14.524 -6.775 6.315 1.00 0.79 C ATOM 1004 OG1 THR B 38 -13.940 -5.529 6.714 1.00 0.85 O ATOM 1005 CG2 THR B 38 -14.089 -7.874 7.276 1.00 0.95 C ATOM 0 HA THR B 38 -14.528 -8.078 4.599 1.00 0.84 H new ATOM 0 HB THR B 38 -15.611 -6.700 6.349 1.00 0.79 H new ATOM 0 HG1 THR B 38 -14.206 -5.323 7.634 1.00 0.85 H new ATOM 0 HG21 THR B 38 -14.393 -7.612 8.290 1.00 0.95 H new ATOM 0 HG22 THR B 38 -14.557 -8.815 6.988 1.00 0.95 H new ATOM 0 HG23 THR B 38 -13.005 -7.982 7.239 1.00 0.95 H new ATOM 1013 N PRO B 39 -15.979 -5.997 3.676 1.00 0.74 N ATOM 1014 CA PRO B 39 -16.583 -4.925 2.883 1.00 0.70 C ATOM 1015 C PRO B 39 -16.278 -3.552 3.467 1.00 0.62 C ATOM 1016 O PRO B 39 -15.879 -2.643 2.748 1.00 0.56 O ATOM 1017 CB PRO B 39 -18.079 -5.217 2.953 1.00 0.78 C ATOM 1018 CG PRO B 39 -18.163 -6.679 3.232 1.00 0.87 C ATOM 1019 CD PRO B 39 -16.972 -7.002 4.094 1.00 0.83 C ATOM 0 HA PRO B 39 -16.197 -4.902 1.864 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -18.560 -4.635 3.739 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -18.577 -4.963 2.017 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -19.094 -6.927 3.743 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -18.144 -7.255 2.307 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -17.207 -6.920 5.155 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -16.614 -8.018 3.924 1.00 0.83 H new ATOM 1027 N ASP B 40 -16.445 -3.420 4.781 1.00 0.65 N ATOM 1028 CA ASP B 40 -16.147 -2.170 5.483 1.00 0.64 C ATOM 1029 C ASP B 40 -14.702 -1.761 5.244 1.00 0.57 C ATOM 1030 O ASP B 40 -14.404 -0.592 4.984 1.00 0.57 O ATOM 1031 CB ASP B 40 -16.391 -2.333 6.982 1.00 0.72 C ATOM 1032 CG ASP B 40 -17.837 -2.629 7.310 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -18.266 -3.789 7.133 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -18.550 -1.707 7.757 1.00 2.16 O ATOM 0 H ASP B 40 -16.787 -4.167 5.386 1.00 0.65 H new ATOM 0 HA ASP B 40 -16.806 -1.393 5.096 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -15.764 -3.140 7.362 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -16.085 -1.422 7.497 1.00 0.72 H new ATOM 1039 N TYR B 41 -13.816 -2.745 5.318 1.00 0.57 N ATOM 1040 CA TYR B 41 -12.399 -2.560 5.042 1.00 0.54 C ATOM 1041 C TYR B 41 -12.203 -2.017 3.627 1.00 0.46 C ATOM 1042 O TYR B 41 -11.340 -1.173 3.382 1.00 0.43 O ATOM 1043 CB TYR B 41 -11.704 -3.918 5.196 1.00 0.61 C ATOM 1044 CG TYR B 41 -10.196 -3.899 5.154 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -9.508 -3.918 3.947 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -9.458 -3.901 6.328 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -8.128 -3.943 3.915 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -8.080 -3.919 6.305 1.00 0.88 C ATOM 1049 CZ TYR B 41 -7.422 -3.945 5.097 1.00 0.73 C ATOM 1050 OH TYR B 41 -6.053 -3.977 5.070 1.00 0.82 O ATOM 0 H TYR B 41 -14.063 -3.701 5.573 1.00 0.57 H new ATOM 0 HA TYR B 41 -11.970 -1.840 5.738 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -12.016 -4.358 6.144 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -12.061 -4.578 4.406 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -10.061 -3.913 3.020 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -9.972 -3.888 7.278 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -7.606 -3.961 2.970 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -7.521 -3.913 7.229 1.00 0.88 H new ATOM 0 HH TYR B 41 -5.732 -3.547 4.250 1.00 0.82 H new ATOM 1060 N LEU B 42 -13.036 -2.493 2.710 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.946 -2.114 1.307 1.00 0.39 C ATOM 1062 C LEU B 42 -13.595 -0.755 1.053 1.00 0.36 C ATOM 1063 O LEU B 42 -13.233 -0.055 0.110 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.608 -3.185 0.432 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.665 -2.870 -1.067 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -12.269 -2.732 -1.641 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -14.445 -3.941 -1.809 1.00 0.48 C ATOM 0 H LEU B 42 -13.789 -3.149 2.917 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.891 -2.035 1.047 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -13.071 -4.124 0.568 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.625 -3.345 0.791 1.00 0.43 H new ATOM 0 HG LEU B 42 -14.181 -1.919 -1.195 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -12.334 -2.509 -2.706 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.745 -1.923 -1.132 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.723 -3.665 -1.499 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.474 -3.699 -2.872 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.960 -4.907 -1.670 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -15.462 -3.986 -1.419 1.00 0.48 H new ATOM 1079 N MET B 43 -14.526 -0.356 1.914 1.00 0.39 N ATOM 1080 CA MET B 43 -15.266 0.882 1.696 1.00 0.40 C ATOM 1081 C MET B 43 -14.363 2.063 1.998 1.00 0.36 C ATOM 1082 O MET B 43 -14.425 3.102 1.339 1.00 0.36 O ATOM 1083 CB MET B 43 -16.524 0.948 2.569 1.00 0.47 C ATOM 1084 CG MET B 43 -17.539 -0.162 2.313 1.00 0.63 C ATOM 1085 SD MET B 43 -18.066 -0.277 0.589 1.00 0.85 S ATOM 1086 CE MET B 43 -16.979 -1.563 -0.038 1.00 0.54 C ATOM 0 H MET B 43 -14.784 -0.865 2.760 1.00 0.39 H new ATOM 0 HA MET B 43 -15.586 0.913 0.654 1.00 0.40 H new ATOM 0 HB2 MET B 43 -16.225 0.913 3.616 1.00 0.47 H new ATOM 0 HB3 MET B 43 -17.011 1.910 2.409 1.00 0.47 H new ATOM 0 HG2 MET B 43 -17.106 -1.115 2.616 1.00 0.63 H new ATOM 0 HG3 MET B 43 -18.414 0.005 2.941 1.00 0.63 H new ATOM 0 HE1 MET B 43 -17.328 -1.888 -1.018 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.965 -1.172 -0.125 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.984 -2.410 0.648 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.509 1.877 2.993 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.494 2.862 3.331 1.00 0.35 C ATOM 1098 C GLN B 44 -11.562 3.042 2.145 1.00 0.30 C ATOM 1099 O GLN B 44 -11.227 4.159 1.758 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.684 2.392 4.541 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.518 2.107 5.776 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.734 1.351 6.827 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -10.512 1.479 6.914 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -12.423 0.553 7.624 1.00 0.75 N ATOM 0 H GLN B 44 -13.500 1.046 3.584 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.980 3.807 3.574 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.137 1.489 4.269 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.942 3.152 4.785 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -12.876 3.047 6.197 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.398 1.529 5.494 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -13.435 0.476 7.518 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.943 0.014 8.345 1.00 0.75 H new ATOM 1113 N LEU B 45 -11.171 1.914 1.567 1.00 0.27 N ATOM 1114 CA LEU B 45 -10.277 1.886 0.423 1.00 0.25 C ATOM 1115 C LEU B 45 -10.847 2.618 -0.773 1.00 0.23 C ATOM 1116 O LEU B 45 -10.103 3.240 -1.536 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.991 0.444 0.038 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.953 -0.244 0.902 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.866 -1.719 0.560 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.613 0.434 0.698 1.00 0.31 C ATOM 0 H LEU B 45 -11.468 0.990 1.882 1.00 0.27 H new ATOM 0 HA LEU B 45 -9.359 2.395 0.715 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.920 -0.123 0.088 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.657 0.418 -0.999 1.00 0.29 H new ATOM 0 HG LEU B 45 -9.242 -0.164 1.950 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -8.115 -2.195 1.191 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -9.834 -2.190 0.730 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -8.586 -1.834 -0.487 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.860 -0.055 1.316 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -7.324 0.362 -0.351 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.689 1.484 0.982 1.00 0.31 H new ATOM 1132 N MET B 46 -12.158 2.549 -0.938 1.00 0.26 N ATOM 1133 CA MET B 46 -12.796 3.177 -2.076 1.00 0.27 C ATOM 1134 C MET B 46 -12.587 4.673 -2.036 1.00 0.26 C ATOM 1135 O MET B 46 -12.483 5.316 -3.081 1.00 0.40 O ATOM 1136 CB MET B 46 -14.289 2.900 -2.123 1.00 0.33 C ATOM 1137 CG MET B 46 -14.660 1.436 -2.244 1.00 0.38 C ATOM 1138 SD MET B 46 -16.412 1.209 -2.611 1.00 0.49 S ATOM 1139 CE MET B 46 -17.159 2.323 -1.420 1.00 0.49 C ATOM 0 H MET B 46 -12.794 2.068 -0.302 1.00 0.26 H new ATOM 0 HA MET B 46 -12.336 2.751 -2.967 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.748 3.303 -1.220 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.718 3.440 -2.967 1.00 0.33 H new ATOM 0 HG2 MET B 46 -14.062 0.975 -3.030 1.00 0.38 H new ATOM 0 HG3 MET B 46 -14.415 0.922 -1.314 1.00 0.38 H new ATOM 0 HE1 MET B 46 -18.181 2.004 -1.215 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.582 2.307 -0.495 1.00 0.49 H new ATOM 0 HE3 MET B 46 -17.169 3.335 -1.825 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.504 5.238 -0.837 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.344 6.669 -0.696 1.00 0.30 C ATOM 1151 C ASN B 47 -10.877 7.039 -0.831 1.00 0.26 C ATOM 1152 O ASN B 47 -10.551 8.136 -1.261 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.864 7.128 0.672 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.816 8.637 0.851 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.153 9.374 -0.195 1.00 1.60 O flip ATOM 1156 ND2 ASN B 47 -12.508 9.138 1.935 1.00 1.43 N flip ATOM 0 H ASN B 47 -12.545 4.725 0.044 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.917 7.165 -1.480 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.891 6.785 0.797 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.272 6.656 1.456 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -12.254 8.538 2.720 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -12.508 10.152 2.047 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.989 6.101 -0.511 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.554 6.366 -0.521 1.00 0.25 C ATOM 1165 C ASP B 48 -8.032 6.377 -1.950 1.00 0.25 C ATOM 1166 O ASP B 48 -7.368 7.323 -2.376 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.793 5.302 0.288 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.842 5.512 1.793 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.492 6.471 2.253 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.210 4.716 2.529 1.00 0.74 O ATOM 0 H ASP B 48 -10.239 5.150 -0.241 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.390 7.342 -0.063 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -8.206 4.320 0.056 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.751 5.294 -0.033 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.347 5.317 -2.695 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.913 5.187 -4.085 1.00 0.27 C ATOM 1177 C LYS B 49 -8.508 6.299 -4.938 1.00 0.33 C ATOM 1178 O LYS B 49 -7.929 6.721 -5.938 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.337 3.822 -4.635 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.301 3.167 -5.538 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.029 3.986 -6.783 1.00 0.92 C ATOM 1182 CE LYS B 49 -5.769 3.508 -7.484 1.00 1.45 C ATOM 1183 NZ LYS B 49 -5.448 4.316 -8.686 1.00 2.10 N ATOM 0 H LYS B 49 -8.904 4.533 -2.356 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.827 5.268 -4.120 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.548 3.155 -3.799 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.267 3.939 -5.192 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.372 3.031 -4.984 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.648 2.175 -5.826 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.878 3.913 -7.463 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.924 5.037 -6.515 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -4.931 3.549 -6.788 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -5.892 2.464 -7.773 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -4.486 4.089 -9.010 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -6.129 4.099 -9.442 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -5.504 5.327 -8.450 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.652 6.793 -4.515 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.340 7.832 -5.251 1.00 0.37 C ATOM 1199 C LYS B 50 -9.790 9.186 -4.833 1.00 0.39 C ATOM 1200 O LYS B 50 -9.602 10.074 -5.662 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.848 7.753 -5.009 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.658 8.725 -5.853 1.00 1.14 C ATOM 1203 CD LYS B 50 -14.154 8.485 -5.708 1.00 1.67 C ATOM 1204 CE LYS B 50 -14.560 7.118 -6.241 1.00 2.35 C ATOM 1205 NZ LYS B 50 -16.031 6.915 -6.193 1.00 3.05 N ATOM 0 H LYS B 50 -10.126 6.491 -3.664 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.171 7.695 -6.319 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.187 6.738 -5.215 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.048 7.948 -3.955 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.423 9.747 -5.557 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.373 8.623 -6.900 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.435 8.564 -4.658 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.701 9.261 -6.244 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -14.213 7.012 -7.269 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.068 6.341 -5.657 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -16.264 5.972 -6.565 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -16.360 6.990 -5.209 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -16.501 7.641 -6.771 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.518 9.329 -3.537 1.00 0.38 N ATOM 1220 CA LEU B 51 -8.896 10.532 -3.005 1.00 0.44 C ATOM 1221 C LEU B 51 -7.545 10.778 -3.657 1.00 0.43 C ATOM 1222 O LEU B 51 -7.258 11.895 -4.080 1.00 0.47 O ATOM 1223 CB LEU B 51 -8.719 10.422 -1.490 1.00 0.48 C ATOM 1224 CG LEU B 51 -8.184 11.673 -0.801 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.165 12.822 -0.953 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.910 11.394 0.666 1.00 1.22 C ATOM 0 H LEU B 51 -9.722 8.618 -2.834 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.554 11.372 -3.229 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -9.681 10.167 -1.046 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.042 9.594 -1.280 1.00 0.48 H new ATOM 0 HG LEU B 51 -7.246 11.957 -1.277 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -8.768 13.707 -0.456 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -9.313 13.036 -2.011 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -10.118 12.549 -0.501 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.529 12.297 1.143 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -8.834 11.087 1.157 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.171 10.598 0.753 1.00 1.22 H new ATOM 1238 N MET B 52 -6.721 9.735 -3.768 1.00 0.39 N ATOM 1239 CA MET B 52 -5.406 9.874 -4.376 1.00 0.37 C ATOM 1240 C MET B 52 -5.533 10.248 -5.850 1.00 0.41 C ATOM 1241 O MET B 52 -4.682 10.937 -6.405 1.00 0.47 O ATOM 1242 CB MET B 52 -4.593 8.581 -4.206 1.00 0.33 C ATOM 1243 CG MET B 52 -4.058 8.377 -2.807 1.00 1.29 C ATOM 1244 SD MET B 52 -2.983 6.939 -2.667 1.00 1.25 S ATOM 1245 CE MET B 52 -4.142 5.605 -2.925 1.00 0.32 C ATOM 0 H MET B 52 -6.943 8.793 -3.446 1.00 0.39 H new ATOM 0 HA MET B 52 -4.874 10.678 -3.867 1.00 0.37 H new ATOM 0 HB2 MET B 52 -5.220 7.731 -4.473 1.00 0.33 H new ATOM 0 HB3 MET B 52 -3.758 8.593 -4.906 1.00 0.33 H new ATOM 0 HG2 MET B 52 -3.507 9.267 -2.501 1.00 1.29 H new ATOM 0 HG3 MET B 52 -4.894 8.267 -2.117 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.603 4.659 -2.972 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.853 5.576 -2.100 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.678 5.764 -3.861 1.00 0.32 H new ATOM 1255 N SER B 53 -6.622 9.813 -6.469 1.00 0.41 N ATOM 1256 CA SER B 53 -6.892 10.137 -7.862 1.00 0.47 C ATOM 1257 C SER B 53 -7.440 11.562 -7.995 1.00 0.51 C ATOM 1258 O SER B 53 -7.432 12.144 -9.081 1.00 0.62 O ATOM 1259 CB SER B 53 -7.881 9.122 -8.447 1.00 0.52 C ATOM 1260 OG SER B 53 -8.042 9.298 -9.845 1.00 1.15 O ATOM 0 H SER B 53 -7.335 9.233 -6.026 1.00 0.41 H new ATOM 0 HA SER B 53 -5.958 10.085 -8.421 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.528 8.111 -8.245 1.00 0.52 H new ATOM 0 HB3 SER B 53 -8.847 9.227 -7.953 1.00 0.52 H new ATOM 0 HG SER B 53 -8.677 8.635 -10.187 1.00 1.15 H new ATOM 1266 N SER B 54 -7.889 12.133 -6.883 1.00 0.49 N ATOM 1267 CA SER B 54 -8.478 13.467 -6.890 1.00 0.54 C ATOM 1268 C SER B 54 -7.448 14.515 -6.464 1.00 0.53 C ATOM 1269 O SER B 54 -7.687 15.721 -6.557 1.00 0.53 O ATOM 1270 CB SER B 54 -9.689 13.509 -5.955 1.00 0.60 C ATOM 1271 OG SER B 54 -10.626 12.497 -6.289 1.00 1.30 O ATOM 0 H SER B 54 -7.856 11.692 -5.964 1.00 0.49 H new ATOM 0 HA SER B 54 -8.803 13.697 -7.905 1.00 0.54 H new ATOM 0 HB2 SER B 54 -9.361 13.380 -4.924 1.00 0.60 H new ATOM 0 HB3 SER B 54 -10.167 14.487 -6.017 1.00 0.60 H new ATOM 0 HG SER B 54 -10.267 11.622 -6.034 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.303 14.039 -6.006 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.233 14.916 -5.549 1.00 0.57 C ATOM 1279 C LEU B 55 -4.231 15.173 -6.674 1.00 0.65 C ATOM 1280 O LEU B 55 -3.527 14.261 -7.103 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.535 14.301 -4.332 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.419 14.136 -3.089 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.654 13.440 -1.976 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.936 15.486 -2.613 1.00 0.65 C ATOM 0 H LEU B 55 -6.088 13.044 -5.940 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.665 15.873 -5.256 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.144 13.323 -4.613 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.679 14.924 -4.070 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.274 13.516 -3.361 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.298 13.333 -1.104 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.335 12.454 -2.315 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.779 14.033 -1.710 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.561 15.346 -1.731 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.093 16.131 -2.363 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.525 15.950 -3.404 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.160 16.420 -7.179 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.257 16.791 -8.282 1.00 0.95 C ATOM 1298 C PRO B 56 -1.786 16.778 -7.866 1.00 0.88 C ATOM 1299 O PRO B 56 -0.883 16.761 -8.707 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.685 18.219 -8.647 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.987 18.440 -7.952 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.959 17.569 -6.733 1.00 0.98 C ATOM 0 HA PRO B 56 -3.331 16.084 -9.108 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.940 18.946 -8.323 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.793 18.332 -9.726 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -5.111 19.488 -7.680 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -5.824 18.178 -8.599 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.501 18.076 -5.883 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.961 17.271 -6.425 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.558 16.778 -6.565 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.206 16.764 -6.019 1.00 0.62 C ATOM 1312 C ASN B 57 0.282 15.329 -5.866 1.00 0.57 C ATOM 1313 O ASN B 57 1.477 15.079 -5.708 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.153 17.487 -4.666 1.00 0.68 C ATOM 1315 CG ASN B 57 -1.031 16.845 -3.604 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -2.079 16.274 -3.906 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -0.610 16.936 -2.351 1.00 1.73 N ATOM 0 H ASN B 57 -2.295 16.788 -5.860 1.00 0.63 H new ATOM 0 HA ASN B 57 0.448 17.291 -6.713 1.00 0.62 H new ATOM 0 HB2 ASN B 57 0.878 17.505 -4.312 1.00 0.68 H new ATOM 0 HB3 ASN B 57 -0.461 18.523 -4.804 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.160 16.525 -1.597 1.00 1.73 H new ATOM 0 HD22 ASN B 57 0.264 17.417 -2.140 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.662 14.398 -5.934 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.376 12.980 -5.761 1.00 0.70 C ATOM 1326 C PHE B 58 0.652 12.486 -6.773 1.00 0.90 C ATOM 1327 O PHE B 58 1.605 11.833 -6.398 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.663 12.169 -5.879 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.487 10.696 -5.645 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.065 10.224 -4.415 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.769 9.783 -6.649 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.928 8.869 -4.189 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.629 8.427 -6.430 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.209 7.970 -5.197 1.00 0.69 C ATOM 0 H PHE B 58 -1.645 14.605 -6.110 1.00 0.62 H new ATOM 0 HA PHE B 58 0.047 12.844 -4.766 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.389 12.555 -5.163 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.084 12.320 -6.873 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.840 10.923 -3.623 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.102 10.136 -7.614 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.601 8.513 -3.223 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.848 7.725 -7.222 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.101 6.910 -5.022 1.00 0.69 H new ATOM 1344 N SER B 59 0.438 12.782 -8.049 1.00 0.91 N ATOM 1345 CA SER B 59 1.352 12.362 -9.115 1.00 1.02 C ATOM 1346 C SER B 59 2.840 12.557 -8.763 1.00 1.10 C ATOM 1347 O SER B 59 3.673 11.719 -9.114 1.00 1.84 O ATOM 1348 CB SER B 59 1.015 13.111 -10.409 1.00 1.21 C ATOM 1349 OG SER B 59 1.793 12.642 -11.499 1.00 1.84 O ATOM 0 H SER B 59 -0.367 13.316 -8.377 1.00 0.91 H new ATOM 0 HA SER B 59 1.207 11.290 -9.247 1.00 1.02 H new ATOM 0 HB2 SER B 59 -0.044 12.988 -10.637 1.00 1.21 H new ATOM 0 HB3 SER B 59 1.189 14.178 -10.269 1.00 1.21 H new ATOM 0 HG SER B 59 1.553 13.138 -12.309 1.00 1.84 H new ATOM 1355 N GLY B 60 3.177 13.638 -8.064 1.00 0.91 N ATOM 1356 CA GLY B 60 4.573 13.925 -7.787 1.00 0.88 C ATOM 1357 C GLY B 60 5.102 13.233 -6.544 1.00 0.67 C ATOM 1358 O GLY B 60 6.308 13.022 -6.413 1.00 0.74 O ATOM 0 H GLY B 60 2.514 14.315 -7.687 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.174 13.623 -8.644 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.698 15.002 -7.674 1.00 0.88 H new ATOM 1362 N ILE B 61 4.214 12.885 -5.628 1.00 0.51 N ATOM 1363 CA ILE B 61 4.610 12.250 -4.377 1.00 0.54 C ATOM 1364 C ILE B 61 4.110 10.811 -4.335 1.00 0.73 C ATOM 1365 O ILE B 61 3.187 10.461 -5.053 1.00 1.81 O ATOM 1366 CB ILE B 61 4.059 13.033 -3.159 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.532 13.144 -3.245 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.695 14.414 -3.089 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.914 13.975 -2.140 1.00 0.79 C ATOM 0 H ILE B 61 3.209 13.031 -5.726 1.00 0.51 H new ATOM 0 HA ILE B 61 5.699 12.254 -4.326 1.00 0.54 H new ATOM 0 HB ILE B 61 4.313 12.491 -2.248 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.263 13.579 -4.207 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.103 12.143 -3.217 1.00 0.64 H new ATOM 0 HG21 ILE B 61 4.299 14.954 -2.229 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.776 14.312 -2.988 1.00 0.79 H new ATOM 0 HG23 ILE B 61 4.466 14.966 -4.000 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.832 14.006 -2.270 1.00 0.79 H new ATOM 0 HD12 ILE B 61 2.151 13.529 -1.174 1.00 0.79 H new ATOM 0 HD13 ILE B 61 2.314 14.988 -2.180 1.00 0.79 H new ATOM 1381 N PHE B 62 4.739 9.972 -3.524 1.00 0.58 N ATOM 1382 CA PHE B 62 4.284 8.592 -3.313 1.00 0.50 C ATOM 1383 C PHE B 62 4.477 7.736 -4.561 1.00 0.51 C ATOM 1384 O PHE B 62 3.736 7.853 -5.537 1.00 0.76 O ATOM 1385 CB PHE B 62 2.814 8.544 -2.894 1.00 0.50 C ATOM 1386 CG PHE B 62 2.462 9.461 -1.762 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.345 9.686 -0.720 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.236 10.097 -1.744 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.007 10.526 0.314 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.895 10.938 -0.711 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.782 11.151 0.320 1.00 0.59 C ATOM 0 H PHE B 62 5.574 10.220 -2.994 1.00 0.58 H new ATOM 0 HA PHE B 62 4.898 8.186 -2.509 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.195 8.796 -3.755 1.00 0.50 H new ATOM 0 HB3 PHE B 62 2.563 7.522 -2.609 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.308 9.197 -0.720 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.537 9.932 -2.551 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.703 10.695 1.122 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.066 11.430 -0.708 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.516 11.809 1.134 1.00 0.59 H new ATOM 1401 N THR B 63 5.462 6.862 -4.521 1.00 0.35 N ATOM 1402 CA THR B 63 5.748 5.997 -5.646 1.00 0.38 C ATOM 1403 C THR B 63 4.970 4.681 -5.544 1.00 0.30 C ATOM 1404 O THR B 63 4.320 4.257 -6.498 1.00 0.38 O ATOM 1405 CB THR B 63 7.258 5.712 -5.730 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.974 6.953 -5.751 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.599 4.905 -6.973 1.00 0.66 C ATOM 0 H THR B 63 6.079 6.732 -3.719 1.00 0.35 H new ATOM 0 HA THR B 63 5.431 6.511 -6.554 1.00 0.38 H new ATOM 0 HB THR B 63 7.547 5.127 -4.857 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.936 6.775 -5.803 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.673 4.720 -7.004 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.068 3.954 -6.946 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.301 5.462 -7.861 1.00 0.66 H new ATOM 1415 N HIS B 64 5.021 4.048 -4.379 1.00 0.26 N ATOM 1416 CA HIS B 64 4.427 2.719 -4.211 1.00 0.25 C ATOM 1417 C HIS B 64 2.981 2.774 -3.735 1.00 0.25 C ATOM 1418 O HIS B 64 2.230 1.823 -3.938 1.00 0.54 O ATOM 1419 CB HIS B 64 5.247 1.882 -3.232 1.00 0.34 C ATOM 1420 CG HIS B 64 6.555 1.431 -3.790 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.009 0.137 -3.695 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.513 2.116 -4.450 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.192 0.049 -4.275 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.522 1.238 -4.743 1.00 0.68 N ATOM 0 H HIS B 64 5.462 4.425 -3.540 1.00 0.26 H new ATOM 0 HA HIS B 64 4.435 2.255 -5.197 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.427 2.465 -2.329 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.666 1.009 -2.937 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.511 -0.633 -3.248 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.488 3.166 -4.701 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.790 -0.847 -4.353 1.00 0.83 H new ATOM 0 HE2 HIS B 64 9.384 1.465 -5.239 1.00 0.68 H new ATOM 1433 N LEU B 65 2.591 3.889 -3.137 1.00 0.32 N ATOM 1434 CA LEU B 65 1.306 3.982 -2.438 1.00 0.22 C ATOM 1435 C LEU B 65 0.132 3.735 -3.392 1.00 0.21 C ATOM 1436 O LEU B 65 -0.816 3.028 -3.048 1.00 0.24 O ATOM 1437 CB LEU B 65 1.169 5.353 -1.746 1.00 0.29 C ATOM 1438 CG LEU B 65 2.056 5.586 -0.500 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.719 4.602 0.599 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.535 5.504 -0.843 1.00 0.99 C ATOM 0 H LEU B 65 3.143 4.747 -3.118 1.00 0.32 H new ATOM 0 HA LEU B 65 1.280 3.203 -1.676 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.396 6.129 -2.477 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.127 5.486 -1.454 1.00 0.29 H new ATOM 0 HG LEU B 65 1.848 6.594 -0.141 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.357 4.788 1.463 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.675 4.722 0.887 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.882 3.586 0.240 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.127 5.673 0.057 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.761 4.517 -1.246 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.779 6.264 -1.586 1.00 0.99 H new ATOM 1452 N GLU B 66 0.217 4.303 -4.592 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.815 4.133 -5.617 1.00 0.40 C ATOM 1454 C GLU B 66 -1.080 2.648 -5.891 1.00 0.38 C ATOM 1455 O GLU B 66 -2.201 2.164 -5.724 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.367 4.847 -6.904 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.450 5.014 -7.966 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.764 3.739 -8.726 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -0.820 3.045 -9.166 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -2.960 3.438 -8.911 1.00 1.75 O ATOM 0 H GLU B 66 0.998 4.891 -4.883 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.746 4.573 -5.260 1.00 0.40 H new ATOM 0 HB2 GLU B 66 0.015 5.833 -6.639 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.463 4.290 -7.339 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -2.361 5.375 -7.489 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -1.136 5.780 -8.675 1.00 0.88 H new ATOM 1467 N ARG B 67 -0.033 1.935 -6.289 1.00 0.42 N ATOM 1468 CA ARG B 67 -0.158 0.534 -6.678 1.00 0.44 C ATOM 1469 C ARG B 67 -0.531 -0.347 -5.487 1.00 0.39 C ATOM 1470 O ARG B 67 -1.099 -1.426 -5.654 1.00 0.40 O ATOM 1471 CB ARG B 67 1.152 0.040 -7.283 1.00 0.54 C ATOM 1472 CG ARG B 67 1.041 -1.325 -7.941 1.00 0.74 C ATOM 1473 CD ARG B 67 2.324 -2.112 -7.779 1.00 0.86 C ATOM 1474 NE ARG B 67 2.562 -2.440 -6.378 1.00 1.08 N ATOM 1475 CZ ARG B 67 3.616 -2.042 -5.676 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.602 -1.364 -6.252 1.00 1.71 N ATOM 1477 NH2 ARG B 67 3.679 -2.353 -4.392 1.00 2.07 N ATOM 0 H ARG B 67 0.916 2.305 -6.351 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.956 0.466 -7.418 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.497 0.763 -8.022 1.00 0.54 H new ATOM 0 HB3 ARG B 67 1.910 -0.003 -6.501 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.212 -1.879 -7.500 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.816 -1.205 -9.001 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.269 -3.028 -8.367 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.162 -1.533 -8.168 1.00 0.86 H new ATOM 0 HE ARG B 67 1.868 -3.017 -5.903 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.556 -1.143 -7.247 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.406 -1.065 -5.700 1.00 1.71 H new ATOM 0 HH21 ARG B 67 2.927 -2.889 -3.960 1.00 2.07 H new ATOM 0 HH22 ARG B 67 4.480 -2.057 -3.834 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.216 0.117 -4.287 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.501 -0.647 -3.081 1.00 0.34 C ATOM 1493 C LEU B 68 -1.997 -0.758 -2.823 1.00 0.31 C ATOM 1494 O LEU B 68 -2.440 -1.673 -2.139 1.00 0.41 O ATOM 1495 CB LEU B 68 0.212 -0.041 -1.877 1.00 0.33 C ATOM 1496 CG LEU B 68 1.687 -0.413 -1.761 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.338 0.377 -0.651 1.00 0.37 C ATOM 1498 CD2 LEU B 68 1.848 -1.904 -1.509 1.00 0.62 C ATOM 0 H LEU B 68 0.236 1.016 -4.122 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.121 -1.657 -3.236 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.127 1.044 -1.929 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.302 -0.358 -0.969 1.00 0.33 H new ATOM 0 HG LEU B 68 2.178 -0.169 -2.703 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.390 0.103 -0.578 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.255 1.442 -0.865 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.839 0.157 0.293 1.00 0.37 H new ATOM 0 HD21 LEU B 68 2.908 -2.147 -1.430 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.343 -2.173 -0.581 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.409 -2.462 -2.336 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.782 0.141 -3.402 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.230 0.014 -3.304 1.00 0.24 C ATOM 1512 C LEU B 69 -4.718 -0.920 -4.398 1.00 0.25 C ATOM 1513 O LEU B 69 -5.709 -1.644 -4.243 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.957 1.363 -3.392 1.00 0.25 C ATOM 1515 CG LEU B 69 -5.108 2.126 -2.068 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.459 2.798 -1.988 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.914 1.203 -0.879 1.00 0.30 C ATOM 0 H LEU B 69 -2.452 0.947 -3.932 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.462 -0.395 -2.320 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.421 1.998 -4.097 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.950 1.193 -3.807 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.333 2.892 -2.038 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.544 3.333 -1.042 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.565 3.502 -2.813 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -7.244 2.045 -2.051 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -5.027 1.771 0.045 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.660 0.408 -0.910 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.916 0.766 -0.917 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.969 -0.963 -5.482 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.323 -1.826 -6.583 1.00 0.35 C ATOM 1531 C ASP B 70 -4.168 -3.265 -6.133 1.00 0.38 C ATOM 1532 O ASP B 70 -4.984 -4.115 -6.465 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.468 -1.536 -7.814 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.684 -2.545 -8.924 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -4.718 -2.465 -9.618 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -2.823 -3.428 -9.109 1.00 1.56 O ATOM 0 H ASP B 70 -3.120 -0.415 -5.621 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.358 -1.642 -6.872 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.699 -0.538 -8.185 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.416 -1.534 -7.529 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.120 -3.535 -5.354 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.980 -4.814 -4.679 1.00 0.50 C ATOM 1543 C GLU B 71 -4.012 -4.975 -3.574 1.00 0.46 C ATOM 1544 O GLU B 71 -4.772 -5.934 -3.579 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.601 -4.938 -4.050 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.448 -4.865 -5.026 1.00 0.94 C ATOM 1547 CD GLU B 71 0.880 -4.942 -4.313 1.00 1.47 C ATOM 1548 OE1 GLU B 71 1.590 -3.925 -4.268 1.00 2.14 O ATOM 1549 OE2 GLU B 71 1.204 -6.018 -3.766 1.00 2.18 O ATOM 0 H GLU B 71 -2.358 -2.880 -5.178 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.127 -5.587 -5.433 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.482 -4.146 -3.310 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.546 -5.886 -3.515 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.525 -5.681 -5.745 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -0.506 -3.935 -5.592 1.00 0.94 H new ATOM 1556 N GLU B 72 -4.046 -4.018 -2.642 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.866 -4.125 -1.431 1.00 0.45 C ATOM 1558 C GLU B 72 -6.342 -4.277 -1.783 1.00 0.42 C ATOM 1559 O GLU B 72 -7.007 -5.208 -1.342 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.661 -2.881 -0.560 1.00 0.46 C ATOM 1561 CG GLU B 72 -5.685 -2.717 0.551 1.00 0.57 C ATOM 1562 CD GLU B 72 -5.200 -3.180 1.905 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -5.429 -2.443 2.898 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.596 -4.268 1.990 1.00 1.33 O ATOM 0 H GLU B 72 -3.510 -3.153 -2.704 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.555 -5.012 -0.879 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.666 -2.922 -0.117 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.690 -1.997 -1.197 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -5.969 -1.667 0.618 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -6.584 -3.274 0.288 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.824 -3.382 -2.625 1.00 0.35 N ATOM 1572 CA ILE B 73 -8.217 -3.373 -3.026 1.00 0.35 C ATOM 1573 C ILE B 73 -8.541 -4.638 -3.795 1.00 0.40 C ATOM 1574 O ILE B 73 -9.581 -5.256 -3.583 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.537 -2.127 -3.880 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.581 -0.895 -2.980 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.840 -2.285 -4.651 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.809 0.397 -3.724 1.00 0.27 C ATOM 0 H ILE B 73 -6.262 -2.643 -3.049 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.835 -3.334 -2.129 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.747 -2.006 -4.622 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -9.374 -1.023 -2.243 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.643 -0.825 -2.430 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -10.027 -1.386 -5.238 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.767 -3.145 -5.317 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.661 -2.438 -3.951 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.828 1.226 -3.016 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -8.003 0.551 -4.442 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.761 0.349 -4.252 1.00 0.27 H new ATOM 1590 N SER B 74 -7.622 -5.045 -4.652 1.00 0.41 N ATOM 1591 CA SER B 74 -7.833 -6.249 -5.455 1.00 0.49 C ATOM 1592 C SER B 74 -7.849 -7.511 -4.581 1.00 0.54 C ATOM 1593 O SER B 74 -8.705 -8.380 -4.754 1.00 0.60 O ATOM 1594 CB SER B 74 -6.760 -6.373 -6.533 1.00 0.52 C ATOM 1595 OG SER B 74 -6.980 -7.497 -7.368 1.00 1.34 O ATOM 0 H SER B 74 -6.733 -4.572 -4.813 1.00 0.41 H new ATOM 0 HA SER B 74 -8.807 -6.156 -5.935 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.747 -5.467 -7.139 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.780 -6.456 -6.063 1.00 0.52 H new ATOM 0 HG SER B 74 -6.275 -7.543 -8.047 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.924 -7.599 -3.628 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.811 -8.794 -2.797 1.00 0.63 C ATOM 1603 C ARG B 75 -7.956 -8.862 -1.792 1.00 0.65 C ATOM 1604 O ARG B 75 -8.445 -9.941 -1.478 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.447 -8.880 -2.083 1.00 0.74 C ATOM 1606 CG ARG B 75 -5.111 -7.693 -1.192 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.780 -7.886 -0.476 1.00 1.26 C ATOM 1608 NE ARG B 75 -2.681 -8.132 -1.414 1.00 1.84 N ATOM 1609 CZ ARG B 75 -1.620 -7.336 -1.562 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -1.481 -6.247 -0.814 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -0.684 -7.646 -2.452 1.00 3.67 N ATOM 0 H ARG B 75 -6.249 -6.865 -3.414 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.879 -9.656 -3.461 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.427 -9.786 -1.478 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.666 -8.982 -2.836 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -5.072 -6.785 -1.794 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.903 -7.554 -0.456 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -3.557 -7.000 0.119 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.859 -8.724 0.217 1.00 1.26 H new ATOM 0 HE ARG B 75 -2.730 -8.970 -1.994 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -2.189 -6.012 -0.118 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -0.666 -5.646 -0.935 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -0.778 -8.489 -3.018 1.00 3.67 H new ATOM 0 HH22 ARG B 75 0.129 -7.041 -2.569 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.392 -7.704 -1.312 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.540 -7.633 -0.413 1.00 0.67 C ATOM 1627 C VAL B 76 -10.822 -8.039 -1.139 1.00 0.71 C ATOM 1628 O VAL B 76 -11.723 -8.626 -0.544 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.691 -6.219 0.195 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -11.003 -6.072 0.952 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.523 -5.920 1.117 1.00 0.59 C ATOM 0 H VAL B 76 -7.969 -6.801 -1.529 1.00 0.62 H new ATOM 0 HA VAL B 76 -9.364 -8.334 0.403 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.697 -5.503 -0.626 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -11.074 -5.066 1.365 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.837 -6.245 0.272 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -11.039 -6.800 1.762 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.639 -4.922 1.540 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.498 -6.654 1.922 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.592 -5.969 0.552 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.880 -7.770 -2.438 1.00 0.66 N ATOM 1642 CA ARG B 77 -12.051 -8.121 -3.237 1.00 0.73 C ATOM 1643 C ARG B 77 -12.064 -9.615 -3.535 1.00 0.87 C ATOM 1644 O ARG B 77 -13.123 -10.219 -3.703 1.00 0.98 O ATOM 1645 CB ARG B 77 -12.080 -7.337 -4.550 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.368 -5.857 -4.380 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.431 -5.149 -5.723 1.00 0.84 C ATOM 1648 NE ARG B 77 -13.521 -5.658 -6.555 1.00 1.38 N ATOM 1649 CZ ARG B 77 -13.596 -5.495 -7.877 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.643 -4.838 -8.526 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -14.628 -5.988 -8.550 1.00 2.73 N ATOM 0 H ARG B 77 -10.133 -7.312 -2.960 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.937 -7.861 -2.657 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -11.120 -7.454 -5.052 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.837 -7.771 -5.204 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.313 -5.726 -3.853 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.593 -5.402 -3.763 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -12.564 -4.079 -5.564 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -11.484 -5.278 -6.246 1.00 0.84 H new ATOM 0 HE ARG B 77 -14.273 -6.171 -6.094 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.848 -4.455 -8.014 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -12.705 -4.716 -9.537 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -15.365 -6.492 -8.057 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -14.684 -5.863 -9.561 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.881 -10.206 -3.597 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.753 -11.614 -3.892 1.00 1.08 C ATOM 1667 C LYS B 78 -10.919 -12.443 -2.619 1.00 1.12 C ATOM 1668 O LYS B 78 -11.570 -13.486 -2.631 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.404 -11.864 -4.596 1.00 1.13 C ATOM 1670 CG LYS B 78 -8.829 -13.257 -4.408 1.00 1.35 C ATOM 1671 CD LYS B 78 -7.950 -13.309 -3.173 1.00 2.01 C ATOM 1672 CE LYS B 78 -6.557 -12.766 -3.444 1.00 2.67 C ATOM 1673 NZ LYS B 78 -5.658 -12.950 -2.275 1.00 3.44 N ATOM 0 H LYS B 78 -9.995 -9.725 -3.445 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.545 -11.930 -4.571 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -9.529 -11.680 -5.663 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -8.680 -11.136 -4.230 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.638 -13.981 -4.316 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -8.248 -13.538 -5.287 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -8.414 -12.733 -2.373 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.876 -14.339 -2.823 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -6.133 -13.270 -4.312 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -6.621 -11.706 -3.690 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -4.717 -12.568 -2.497 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -6.050 -12.448 -1.453 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -5.577 -13.963 -2.056 1.00 3.44 H new