USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=24 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 44 GLN : amide:sc= 0.907 K(o=-1.4,f=-2.3) USER MOD Set 1.2: B 64 HIS : no HE2:sc= -2.33 K(o=-1.4,f=-2.7) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -2.49 K(o=-1.5,f=-3.4!) USER MOD Set 2.2: B 44 GLN : amide:sc= 0.95 K(o=-1.5,f=-2.5) USER MOD Single : A 38 THR OG1 : rot -42:sc= 0.363 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 157:sc= -0.599 (180deg=-1.71) USER MOD Single : A 46 MET CE :methyl -150:sc= -1.12 (180deg=-2.32!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0969 (180deg=-0.514) USER MOD Single : A 52 MET CE :methyl -178:sc= -4.17! (180deg=-4.28!) USER MOD Single : A 53 SER OG : rot -88:sc= 1.12 USER MOD Single : A 54 SER OG : rot 70:sc= 1.15 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 56:sc= 0.0281 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -88:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot -40:sc= 0.318 USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 MET CE :methyl 155:sc= -0.604 (180deg=-1.77) USER MOD Single : B 46 MET CE :methyl -151:sc= -1.11 (180deg=-2.23!) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 161:sc= -0.0595 (180deg=-0.469) USER MOD Single : B 52 MET CE :methyl 176:sc= -4.3! (180deg=-4.32!) USER MOD Single : B 53 SER OG : rot -88:sc= 1.13 USER MOD Single : B 54 SER OG : rot 70:sc= 1.11 USER MOD Single : B 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 SER OG : rot 54:sc= 0.0343 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot -106:sc= 1.18 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 12.236 -6.394 -3.703 1.00 0.97 N ATOM 131 CA THR A 38 13.617 -6.193 -4.102 1.00 0.83 C ATOM 132 C THR A 38 14.135 -4.860 -3.569 1.00 0.72 C ATOM 133 O THR A 38 13.337 -4.036 -3.124 1.00 0.65 O ATOM 134 CB THR A 38 13.736 -6.220 -5.639 1.00 0.79 C ATOM 135 OG1 THR A 38 12.607 -5.549 -6.223 1.00 0.85 O ATOM 136 CG2 THR A 38 13.811 -7.647 -6.162 1.00 0.95 C ATOM 0 HA THR A 38 14.218 -7.000 -3.683 1.00 0.83 H new ATOM 0 HB THR A 38 14.656 -5.707 -5.918 1.00 0.79 H new ATOM 0 HG1 THR A 38 11.792 -5.800 -5.740 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.894 -7.632 -7.249 1.00 0.95 H new ATOM 0 HG22 THR A 38 14.683 -8.145 -5.738 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.909 -8.188 -5.875 1.00 0.95 H new ATOM 144 N PRO A 39 15.460 -4.631 -3.567 1.00 0.74 N ATOM 145 CA PRO A 39 16.027 -3.347 -3.147 1.00 0.70 C ATOM 146 C PRO A 39 15.361 -2.164 -3.847 1.00 0.62 C ATOM 147 O PRO A 39 14.940 -1.214 -3.195 1.00 0.56 O ATOM 148 CB PRO A 39 17.494 -3.453 -3.549 1.00 0.78 C ATOM 149 CG PRO A 39 17.784 -4.914 -3.522 1.00 0.87 C ATOM 150 CD PRO A 39 16.509 -5.602 -3.932 1.00 0.83 C ATOM 0 HA PRO A 39 15.880 -3.166 -2.082 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.665 -3.033 -4.540 1.00 0.78 H new ATOM 0 HB3 PRO A 39 18.136 -2.908 -2.856 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.597 -5.162 -4.204 1.00 0.87 H new ATOM 0 HG3 PRO A 39 18.095 -5.231 -2.527 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.498 -5.823 -4.999 1.00 0.83 H new ATOM 0 HD3 PRO A 39 16.378 -6.549 -3.409 1.00 0.83 H new ATOM 158 N ASP A 40 15.238 -2.242 -5.170 1.00 0.66 N ATOM 159 CA ASP A 40 14.567 -1.195 -5.950 1.00 0.64 C ATOM 160 C ASP A 40 13.161 -0.940 -5.417 1.00 0.58 C ATOM 161 O ASP A 40 12.702 0.204 -5.336 1.00 0.58 O ATOM 162 CB ASP A 40 14.490 -1.593 -7.426 1.00 0.72 C ATOM 163 CG ASP A 40 13.645 -0.634 -8.241 1.00 1.44 C ATOM 164 OD1 ASP A 40 12.460 -0.939 -8.485 1.00 2.22 O ATOM 165 OD2 ASP A 40 14.163 0.433 -8.637 1.00 2.15 O ATOM 0 H ASP A 40 15.593 -3.018 -5.728 1.00 0.66 H new ATOM 0 HA ASP A 40 15.152 -0.280 -5.855 1.00 0.64 H new ATOM 0 HB2 ASP A 40 15.497 -1.630 -7.842 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.075 -2.598 -7.507 1.00 0.72 H new ATOM 170 N TYR A 41 12.497 -2.018 -5.033 1.00 0.57 N ATOM 171 CA TYR A 41 11.158 -1.944 -4.475 1.00 0.54 C ATOM 172 C TYR A 41 11.203 -1.231 -3.122 1.00 0.46 C ATOM 173 O TYR A 41 10.345 -0.409 -2.802 1.00 0.43 O ATOM 174 CB TYR A 41 10.592 -3.364 -4.306 1.00 0.61 C ATOM 175 CG TYR A 41 9.083 -3.449 -4.185 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.354 -2.492 -3.495 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.391 -4.504 -4.762 1.00 0.83 C ATOM 178 CE1 TYR A 41 6.982 -2.578 -3.388 1.00 0.69 C ATOM 179 CE2 TYR A 41 7.018 -4.599 -4.658 1.00 0.88 C ATOM 180 CZ TYR A 41 6.319 -3.633 -3.971 1.00 0.73 C ATOM 181 OH TYR A 41 4.953 -3.720 -3.869 1.00 0.81 O ATOM 0 H TYR A 41 12.870 -2.965 -5.099 1.00 0.57 H new ATOM 0 HA TYR A 41 10.513 -1.382 -5.150 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.906 -3.967 -5.158 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.037 -3.812 -3.417 1.00 0.61 H new ATOM 0 HD1 TYR A 41 8.871 -1.664 -3.033 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.936 -5.264 -5.302 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.431 -1.821 -2.849 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.495 -5.427 -5.113 1.00 0.88 H new ATOM 0 HH TYR A 41 4.641 -4.523 -4.336 1.00 0.81 H new ATOM 191 N LEU A 42 12.244 -1.518 -2.358 1.00 0.44 N ATOM 192 CA LEU A 42 12.326 -1.077 -0.977 1.00 0.39 C ATOM 193 C LEU A 42 12.896 0.333 -0.853 1.00 0.37 C ATOM 194 O LEU A 42 12.511 1.079 0.043 1.00 0.34 O ATOM 195 CB LEU A 42 13.179 -2.059 -0.171 1.00 0.43 C ATOM 196 CG LEU A 42 13.311 -1.744 1.319 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.944 -1.686 1.980 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.190 -2.780 2.001 1.00 0.48 C ATOM 0 H LEU A 42 13.049 -2.058 -2.675 1.00 0.44 H new ATOM 0 HA LEU A 42 11.312 -1.052 -0.579 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.753 -3.056 -0.278 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.177 -2.090 -0.608 1.00 0.43 H new ATOM 0 HG LEU A 42 13.781 -0.766 1.424 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.062 -1.461 3.040 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.344 -0.908 1.508 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.444 -2.648 1.867 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.275 -2.543 3.062 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.745 -3.768 1.884 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.181 -2.772 1.547 1.00 0.48 H new ATOM 210 N MET A 43 13.783 0.717 -1.762 1.00 0.40 N ATOM 211 CA MET A 43 14.491 1.985 -1.627 1.00 0.40 C ATOM 212 C MET A 43 13.536 3.135 -1.883 1.00 0.37 C ATOM 213 O MET A 43 13.590 4.173 -1.224 1.00 0.36 O ATOM 214 CB MET A 43 15.678 2.075 -2.591 1.00 0.47 C ATOM 215 CG MET A 43 16.757 1.020 -2.381 1.00 0.63 C ATOM 216 SD MET A 43 17.379 0.948 -0.687 1.00 0.85 S ATOM 217 CE MET A 43 16.370 -0.366 -0.003 1.00 0.55 C ATOM 0 H MET A 43 14.028 0.177 -2.592 1.00 0.40 H new ATOM 0 HA MET A 43 14.879 2.045 -0.610 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.305 1.994 -3.612 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.131 3.062 -2.495 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.357 0.044 -2.654 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.588 1.223 -3.056 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.877 -0.804 0.856 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.408 0.040 0.311 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.210 -1.134 -0.760 1.00 0.55 H new ATOM 227 N GLN A 44 12.639 2.921 -2.829 1.00 0.36 N ATOM 228 CA GLN A 44 11.635 3.918 -3.160 1.00 0.35 C ATOM 229 C GLN A 44 10.604 4.000 -2.043 1.00 0.30 C ATOM 230 O GLN A 44 10.098 5.074 -1.726 1.00 0.30 O ATOM 231 CB GLN A 44 10.968 3.580 -4.492 1.00 0.42 C ATOM 232 CG GLN A 44 11.932 3.613 -5.666 1.00 0.52 C ATOM 233 CD GLN A 44 11.290 3.180 -6.965 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.736 3.996 -7.700 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.369 1.892 -7.262 1.00 0.75 N ATOM 0 H GLN A 44 12.585 2.066 -3.382 1.00 0.36 H new ATOM 0 HA GLN A 44 12.117 4.890 -3.262 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.519 2.589 -4.426 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.157 4.285 -4.675 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.325 4.624 -5.779 1.00 0.52 H new ATOM 0 HG3 GLN A 44 12.781 2.964 -5.451 1.00 0.52 H new ATOM 0 HE21 GLN A 44 11.838 1.249 -6.624 1.00 0.75 H new ATOM 0 HE22 GLN A 44 10.961 1.543 -8.129 1.00 0.75 H new ATOM 244 N LEU A 45 10.329 2.853 -1.425 1.00 0.27 N ATOM 245 CA LEU A 45 9.426 2.790 -0.283 1.00 0.25 C ATOM 246 C LEU A 45 9.993 3.550 0.907 1.00 0.23 C ATOM 247 O LEU A 45 9.244 4.078 1.731 1.00 0.23 O ATOM 248 CB LEU A 45 9.164 1.338 0.118 1.00 0.29 C ATOM 249 CG LEU A 45 8.038 0.638 -0.642 1.00 0.32 C ATOM 250 CD1 LEU A 45 7.940 -0.821 -0.224 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.720 1.344 -0.382 1.00 0.31 C ATOM 0 H LEU A 45 10.722 1.952 -1.699 1.00 0.27 H new ATOM 0 HA LEU A 45 8.487 3.256 -0.581 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.083 0.769 -0.024 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.932 1.310 1.183 1.00 0.29 H new ATOM 0 HG LEU A 45 8.260 0.679 -1.708 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.133 -1.304 -0.775 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.881 -1.326 -0.442 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.735 -0.880 0.845 1.00 0.38 H new ATOM 0 HD21 LEU A 45 5.923 0.839 -0.927 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.500 1.322 0.685 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.789 2.379 -0.717 1.00 0.31 H new ATOM 263 N MET A 46 11.319 3.614 0.988 1.00 0.26 N ATOM 264 CA MET A 46 11.973 4.317 2.082 1.00 0.28 C ATOM 265 C MET A 46 11.643 5.792 2.032 1.00 0.27 C ATOM 266 O MET A 46 11.492 6.437 3.071 1.00 0.41 O ATOM 267 CB MET A 46 13.488 4.151 2.042 1.00 0.33 C ATOM 268 CG MET A 46 13.965 2.724 2.219 1.00 0.39 C ATOM 269 SD MET A 46 15.739 2.619 2.536 1.00 0.49 S ATOM 270 CE MET A 46 16.387 3.656 1.225 1.00 0.49 C ATOM 0 H MET A 46 11.956 3.190 0.313 1.00 0.26 H new ATOM 0 HA MET A 46 11.600 3.879 3.008 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.858 4.530 1.089 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.930 4.769 2.824 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.424 2.264 3.046 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.725 2.151 1.323 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.377 3.303 0.938 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.721 3.611 0.363 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.457 4.685 1.576 1.00 0.49 H new ATOM 280 N ASN A 47 11.514 6.331 0.823 1.00 0.24 N ATOM 281 CA ASN A 47 11.220 7.741 0.655 1.00 0.30 C ATOM 282 C ASN A 47 9.733 7.988 0.836 1.00 0.26 C ATOM 283 O ASN A 47 9.325 9.051 1.289 1.00 0.27 O ATOM 284 CB ASN A 47 11.643 8.216 -0.738 1.00 0.42 C ATOM 285 CG ASN A 47 11.354 9.691 -0.964 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.478 10.513 -0.052 1.00 1.61 O ATOM 287 ND2 ASN A 47 10.955 10.033 -2.177 1.00 1.42 N ATOM 0 H ASN A 47 11.609 5.810 -0.049 1.00 0.24 H new ATOM 0 HA ASN A 47 11.778 8.298 1.407 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.709 8.034 -0.872 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.122 7.627 -1.493 1.00 0.42 H new ATOM 0 HD21 ASN A 47 10.737 11.007 -2.386 1.00 1.42 H new ATOM 0 HD22 ASN A 47 10.865 9.323 -2.904 1.00 1.42 H new ATOM 294 N ASP A 48 8.924 6.984 0.517 1.00 0.24 N ATOM 295 CA ASP A 48 7.476 7.129 0.580 1.00 0.24 C ATOM 296 C ASP A 48 7.029 7.216 2.032 1.00 0.25 C ATOM 297 O ASP A 48 6.297 8.127 2.424 1.00 0.30 O ATOM 298 CB ASP A 48 6.779 5.942 -0.098 1.00 0.25 C ATOM 299 CG ASP A 48 6.780 6.008 -1.617 1.00 0.29 C ATOM 300 OD1 ASP A 48 6.758 4.939 -2.265 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.771 7.121 -2.172 1.00 0.74 O ATOM 0 H ASP A 48 9.245 6.065 0.213 1.00 0.24 H new ATOM 0 HA ASP A 48 7.200 8.043 0.054 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.268 5.020 0.215 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.748 5.891 0.252 1.00 0.25 H new ATOM 306 N LYS A 49 7.510 6.268 2.831 1.00 0.22 N ATOM 307 CA LYS A 49 7.181 6.198 4.252 1.00 0.27 C ATOM 308 C LYS A 49 7.758 7.402 4.996 1.00 0.32 C ATOM 309 O LYS A 49 7.242 7.820 6.036 1.00 0.44 O ATOM 310 CB LYS A 49 7.730 4.893 4.842 1.00 0.31 C ATOM 311 CG LYS A 49 6.835 4.263 5.903 1.00 0.59 C ATOM 312 CD LYS A 49 6.818 5.074 7.185 1.00 0.92 C ATOM 313 CE LYS A 49 8.122 4.932 7.953 1.00 1.45 C ATOM 314 NZ LYS A 49 8.111 5.712 9.218 1.00 2.10 N ATOM 0 H LYS A 49 8.137 5.529 2.513 1.00 0.22 H new ATOM 0 HA LYS A 49 6.097 6.215 4.367 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.878 4.176 4.034 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.710 5.088 5.278 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.820 4.175 5.516 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.183 3.252 6.118 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.646 6.124 6.950 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.988 4.748 7.812 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.298 3.880 8.177 1.00 1.45 H new ATOM 0 HE3 LYS A 49 8.949 5.267 7.328 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 9.018 5.587 9.711 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.969 6.720 9.003 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 7.338 5.375 9.827 1.00 2.10 H new ATOM 328 N LYS A 50 8.806 7.980 4.441 1.00 0.30 N ATOM 329 CA LYS A 50 9.463 9.113 5.067 1.00 0.37 C ATOM 330 C LYS A 50 8.754 10.407 4.689 1.00 0.39 C ATOM 331 O LYS A 50 8.520 11.271 5.533 1.00 0.43 O ATOM 332 CB LYS A 50 10.934 9.177 4.653 1.00 0.42 C ATOM 333 CG LYS A 50 11.707 10.279 5.349 1.00 1.14 C ATOM 334 CD LYS A 50 13.177 10.267 4.968 1.00 1.67 C ATOM 335 CE LYS A 50 13.948 11.339 5.723 1.00 2.35 C ATOM 336 NZ LYS A 50 13.810 11.181 7.195 1.00 3.05 N ATOM 0 H LYS A 50 9.221 7.684 3.558 1.00 0.30 H new ATOM 0 HA LYS A 50 9.413 8.987 6.149 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.407 8.219 4.869 1.00 0.42 H new ATOM 0 HB3 LYS A 50 10.994 9.326 3.575 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.273 11.245 5.092 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.611 10.164 6.429 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.604 9.288 5.184 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.279 10.429 3.895 1.00 1.67 H new ATOM 0 HE2 LYS A 50 15.002 11.291 5.449 1.00 2.35 H new ATOM 0 HE3 LYS A 50 13.587 12.324 5.427 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.575 11.698 7.673 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 12.892 11.562 7.500 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 13.866 10.173 7.443 1.00 3.05 H new ATOM 350 N LEU A 51 8.404 10.527 3.418 1.00 0.38 N ATOM 351 CA LEU A 51 7.743 11.719 2.917 1.00 0.44 C ATOM 352 C LEU A 51 6.345 11.850 3.516 1.00 0.42 C ATOM 353 O LEU A 51 5.918 12.951 3.856 1.00 0.47 O ATOM 354 CB LEU A 51 7.691 11.678 1.382 1.00 0.48 C ATOM 355 CG LEU A 51 7.425 13.016 0.680 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.009 12.998 -0.723 1.00 1.10 C ATOM 357 CD2 LEU A 51 5.935 13.311 0.613 1.00 1.22 C ATOM 0 H LEU A 51 8.568 9.809 2.712 1.00 0.38 H new ATOM 0 HA LEU A 51 8.313 12.598 3.219 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.638 11.281 1.017 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.915 10.974 1.084 1.00 0.48 H new ATOM 0 HG LEU A 51 7.907 13.803 1.261 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.814 13.953 -1.211 1.00 1.10 H new ATOM 0 HD12 LEU A 51 9.085 12.832 -0.667 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.548 12.196 -1.299 1.00 1.10 H new ATOM 0 HD21 LEU A 51 5.775 14.265 0.111 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.432 12.520 0.057 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.528 13.360 1.623 1.00 1.22 H new ATOM 369 N MET A 52 5.643 10.728 3.685 1.00 0.39 N ATOM 370 CA MET A 52 4.288 10.757 4.233 1.00 0.37 C ATOM 371 C MET A 52 4.294 11.233 5.684 1.00 0.41 C ATOM 372 O MET A 52 3.379 11.928 6.122 1.00 0.47 O ATOM 373 CB MET A 52 3.625 9.372 4.146 1.00 0.33 C ATOM 374 CG MET A 52 4.308 8.304 4.982 1.00 1.29 C ATOM 375 SD MET A 52 3.432 6.729 4.964 1.00 1.25 S ATOM 376 CE MET A 52 3.436 6.350 3.213 1.00 0.31 C ATOM 0 H MET A 52 5.987 9.796 3.452 1.00 0.39 H new ATOM 0 HA MET A 52 3.710 11.461 3.633 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.586 9.458 4.464 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.614 9.051 3.104 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.322 8.154 4.612 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.393 8.655 6.011 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.896 5.419 3.041 1.00 0.31 H new ATOM 0 HE2 MET A 52 2.950 7.157 2.665 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.464 6.243 2.866 1.00 0.31 H new ATOM 386 N SER A 53 5.338 10.879 6.423 1.00 0.40 N ATOM 387 CA SER A 53 5.434 11.250 7.826 1.00 0.47 C ATOM 388 C SER A 53 5.913 12.692 7.971 1.00 0.50 C ATOM 389 O SER A 53 5.897 13.259 9.064 1.00 0.62 O ATOM 390 CB SER A 53 6.360 10.280 8.564 1.00 0.52 C ATOM 391 OG SER A 53 7.509 9.978 7.789 1.00 1.15 O ATOM 0 H SER A 53 6.128 10.337 6.073 1.00 0.40 H new ATOM 0 HA SER A 53 4.443 11.185 8.276 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.664 10.716 9.515 1.00 0.52 H new ATOM 0 HB3 SER A 53 5.820 9.361 8.793 1.00 0.52 H new ATOM 0 HG SER A 53 7.320 9.211 7.210 1.00 1.15 H new ATOM 397 N SER A 54 6.314 13.288 6.854 1.00 0.49 N ATOM 398 CA SER A 54 6.723 14.681 6.833 1.00 0.53 C ATOM 399 C SER A 54 5.530 15.564 6.476 1.00 0.53 C ATOM 400 O SER A 54 5.611 16.792 6.498 1.00 0.53 O ATOM 401 CB SER A 54 7.845 14.878 5.812 1.00 0.60 C ATOM 402 OG SER A 54 8.902 13.959 6.033 1.00 1.30 O ATOM 0 H SER A 54 6.363 12.822 5.948 1.00 0.49 H new ATOM 0 HA SER A 54 7.090 14.962 7.820 1.00 0.53 H new ATOM 0 HB2 SER A 54 7.451 14.748 4.804 1.00 0.60 H new ATOM 0 HB3 SER A 54 8.225 15.897 5.877 1.00 0.60 H new ATOM 0 HG SER A 54 8.606 13.056 5.794 1.00 1.30 H new ATOM 408 N LEU A 55 4.423 14.917 6.141 1.00 0.54 N ATOM 409 CA LEU A 55 3.210 15.621 5.760 1.00 0.57 C ATOM 410 C LEU A 55 2.179 15.544 6.876 1.00 0.65 C ATOM 411 O LEU A 55 1.682 14.461 7.191 1.00 0.65 O ATOM 412 CB LEU A 55 2.609 15.020 4.488 1.00 0.51 C ATOM 413 CG LEU A 55 3.559 14.876 3.297 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.835 14.222 2.133 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.126 16.224 2.881 1.00 0.64 C ATOM 0 H LEU A 55 4.341 13.900 6.126 1.00 0.54 H new ATOM 0 HA LEU A 55 3.475 16.662 5.576 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.210 14.035 4.730 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.766 15.639 4.181 1.00 0.51 H new ATOM 0 HG LEU A 55 4.393 14.243 3.598 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.518 14.123 1.289 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.482 13.235 2.432 1.00 0.56 H new ATOM 0 HD13 LEU A 55 1.984 14.838 1.841 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.797 16.090 2.033 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.311 16.890 2.597 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.677 16.660 3.714 1.00 0.64 H new ATOM 427 N PRO A 56 1.824 16.688 7.477 1.00 0.81 N ATOM 428 CA PRO A 56 0.789 16.743 8.506 1.00 0.94 C ATOM 429 C PRO A 56 -0.599 16.616 7.891 1.00 0.88 C ATOM 430 O PRO A 56 -1.605 16.514 8.587 1.00 1.19 O ATOM 431 CB PRO A 56 0.982 18.121 9.133 1.00 1.14 C ATOM 432 CG PRO A 56 1.584 18.951 8.054 1.00 1.26 C ATOM 433 CD PRO A 56 2.397 18.015 7.196 1.00 0.98 C ATOM 0 HA PRO A 56 0.868 15.932 9.230 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.033 18.538 9.470 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.635 18.071 10.004 1.00 1.14 H new ATOM 0 HG2 PRO A 56 0.810 19.443 7.465 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.212 19.737 8.474 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.316 18.270 6.139 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.456 18.056 7.453 1.00 0.98 H new ATOM 441 N ASN A 57 -0.630 16.627 6.567 1.00 0.63 N ATOM 442 CA ASN A 57 -1.872 16.483 5.827 1.00 0.62 C ATOM 443 C ASN A 57 -2.115 15.019 5.503 1.00 0.57 C ATOM 444 O ASN A 57 -3.253 14.601 5.287 1.00 0.59 O ATOM 445 CB ASN A 57 -1.845 17.303 4.531 1.00 0.68 C ATOM 446 CG ASN A 57 -1.684 18.791 4.779 1.00 1.32 C ATOM 447 OD1 ASN A 57 -2.661 19.508 4.990 1.00 2.22 O ATOM 448 ND2 ASN A 57 -0.455 19.273 4.729 1.00 1.73 N ATOM 0 H ASN A 57 0.198 16.735 5.981 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.683 16.859 6.451 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -1.026 16.954 3.903 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.768 17.129 3.978 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.292 20.270 4.868 1.00 1.73 H new ATOM 0 HD22 ASN A 57 0.331 18.648 4.552 1.00 1.73 H new ATOM 455 N PHE A 58 -1.033 14.239 5.483 1.00 0.62 N ATOM 456 CA PHE A 58 -1.112 12.818 5.163 1.00 0.70 C ATOM 457 C PHE A 58 -2.014 12.092 6.147 1.00 0.90 C ATOM 458 O PHE A 58 -2.891 11.323 5.741 1.00 1.77 O ATOM 459 CB PHE A 58 0.274 12.178 5.159 1.00 0.69 C ATOM 460 CG PHE A 58 0.240 10.700 4.897 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.017 10.218 3.625 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.460 9.795 5.922 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.054 8.860 3.378 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.424 8.437 5.680 1.00 1.15 C ATOM 465 CZ PHE A 58 0.167 7.970 4.407 1.00 0.69 C ATOM 0 H PHE A 58 -0.090 14.571 5.686 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.538 12.729 4.164 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.889 12.661 4.400 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.754 12.359 6.121 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.191 10.912 2.816 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.662 10.155 6.920 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.256 8.496 2.381 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.597 7.740 6.486 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.139 6.907 4.217 1.00 0.69 H new ATOM 475 N SER A 59 -1.788 12.330 7.434 1.00 0.91 N ATOM 476 CA SER A 59 -2.636 11.788 8.486 1.00 1.02 C ATOM 477 C SER A 59 -4.027 12.424 8.444 1.00 1.10 C ATOM 478 O SER A 59 -4.407 13.196 9.326 1.00 1.84 O ATOM 479 CB SER A 59 -1.968 12.021 9.843 1.00 1.21 C ATOM 480 OG SER A 59 -1.500 13.357 9.952 1.00 1.84 O ATOM 0 H SER A 59 -1.015 12.902 7.775 1.00 0.91 H new ATOM 0 HA SER A 59 -2.761 10.716 8.330 1.00 1.02 H new ATOM 0 HB2 SER A 59 -2.678 11.813 10.643 1.00 1.21 H new ATOM 0 HB3 SER A 59 -1.136 11.328 9.967 1.00 1.21 H new ATOM 0 HG SER A 59 -2.242 13.977 9.795 1.00 1.84 H new ATOM 486 N GLY A 60 -4.770 12.102 7.399 1.00 0.91 N ATOM 487 CA GLY A 60 -6.085 12.661 7.204 1.00 0.87 C ATOM 488 C GLY A 60 -6.566 12.462 5.782 1.00 0.66 C ATOM 489 O GLY A 60 -7.732 12.133 5.553 1.00 0.73 O ATOM 0 H GLY A 60 -4.477 11.451 6.671 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.786 12.194 7.895 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.068 13.725 7.438 1.00 0.87 H new ATOM 493 N ILE A 61 -5.667 12.649 4.820 1.00 0.50 N ATOM 494 CA ILE A 61 -6.024 12.475 3.418 1.00 0.54 C ATOM 495 C ILE A 61 -6.092 11.005 3.026 1.00 0.73 C ATOM 496 O ILE A 61 -6.942 10.620 2.227 1.00 1.81 O ATOM 497 CB ILE A 61 -5.064 13.216 2.454 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.605 12.800 2.683 1.00 0.64 C ATOM 499 CG2 ILE A 61 -5.227 14.720 2.603 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.615 13.538 1.804 1.00 0.78 C ATOM 0 H ILE A 61 -4.697 12.918 4.984 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.014 12.919 3.318 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.327 12.935 1.434 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.347 12.972 3.728 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.509 11.729 2.503 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -4.547 15.229 1.920 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -6.254 15.000 2.368 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -4.997 15.011 3.628 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.605 13.191 2.023 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -2.846 13.347 0.756 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -2.681 14.608 2.000 1.00 0.78 H new ATOM 512 N PHE A 62 -5.219 10.169 3.584 1.00 0.58 N ATOM 513 CA PHE A 62 -5.191 8.760 3.225 1.00 0.50 C ATOM 514 C PHE A 62 -5.269 7.905 4.482 1.00 0.51 C ATOM 515 O PHE A 62 -4.513 8.115 5.430 1.00 0.76 O ATOM 516 CB PHE A 62 -3.905 8.430 2.469 1.00 0.50 C ATOM 517 CG PHE A 62 -3.731 9.191 1.186 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.771 9.294 0.275 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.524 9.796 0.887 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.609 9.987 -0.903 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.359 10.491 -0.292 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.400 10.585 -1.186 1.00 0.59 C ATOM 0 H PHE A 62 -4.527 10.444 4.282 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.047 8.548 2.584 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.053 8.634 3.118 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.890 7.362 2.250 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.719 8.825 0.492 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.702 9.723 1.584 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.427 10.062 -1.604 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.413 10.962 -0.514 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.270 11.128 -2.111 1.00 0.59 H new ATOM 532 N THR A 63 -6.183 6.952 4.485 1.00 0.34 N ATOM 533 CA THR A 63 -6.418 6.117 5.651 1.00 0.38 C ATOM 534 C THR A 63 -5.567 4.843 5.623 1.00 0.30 C ATOM 535 O THR A 63 -4.823 4.560 6.559 1.00 0.38 O ATOM 536 CB THR A 63 -7.907 5.731 5.744 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.721 6.884 5.491 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.241 5.167 7.118 1.00 0.66 C ATOM 0 H THR A 63 -6.780 6.735 3.687 1.00 0.34 H new ATOM 0 HA THR A 63 -6.131 6.701 6.526 1.00 0.38 H new ATOM 0 HB THR A 63 -8.108 4.963 4.997 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.667 6.636 5.549 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.298 4.903 7.156 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.638 4.278 7.303 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.027 5.916 7.881 1.00 0.66 H new ATOM 546 N HIS A 64 -5.672 4.085 4.539 1.00 0.26 N ATOM 547 CA HIS A 64 -5.060 2.751 4.486 1.00 0.25 C ATOM 548 C HIS A 64 -3.653 2.774 3.906 1.00 0.25 C ATOM 549 O HIS A 64 -2.889 1.823 4.079 1.00 0.54 O ATOM 550 CB HIS A 64 -5.940 1.777 3.705 1.00 0.33 C ATOM 551 CG HIS A 64 -7.115 1.306 4.497 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.740 0.098 4.293 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.756 1.886 5.530 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.713 -0.040 5.174 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.746 1.032 5.940 1.00 0.68 N ATOM 0 H HIS A 64 -6.167 4.361 3.691 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.978 2.407 5.517 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.291 2.260 2.793 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.343 0.917 3.400 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -7.491 -0.583 3.575 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -7.530 2.851 5.958 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -9.373 -0.891 5.254 1.00 0.83 H new ATOM 564 N LEU A 65 -3.313 3.864 3.241 1.00 0.32 N ATOM 565 CA LEU A 65 -2.027 3.990 2.555 1.00 0.22 C ATOM 566 C LEU A 65 -0.850 3.826 3.518 1.00 0.20 C ATOM 567 O LEU A 65 0.137 3.166 3.195 1.00 0.24 O ATOM 568 CB LEU A 65 -1.936 5.341 1.826 1.00 0.29 C ATOM 569 CG LEU A 65 -2.651 5.422 0.465 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.079 4.409 -0.509 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.144 5.203 0.610 1.00 0.99 C ATOM 0 H LEU A 65 -3.912 4.685 3.158 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.968 3.186 1.822 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.348 6.112 2.477 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.883 5.580 1.676 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.485 6.425 0.073 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.601 4.486 -1.463 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.018 4.607 -0.659 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.207 3.404 -0.106 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.618 5.267 -0.370 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.327 4.218 1.038 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.562 5.967 1.266 1.00 0.99 H new ATOM 583 N GLU A 66 -0.973 4.407 4.707 1.00 0.30 N ATOM 584 CA GLU A 66 0.095 4.367 5.702 1.00 0.40 C ATOM 585 C GLU A 66 0.475 2.931 6.066 1.00 0.38 C ATOM 586 O GLU A 66 1.639 2.539 5.964 1.00 0.38 O ATOM 587 CB GLU A 66 -0.335 5.118 6.961 1.00 0.53 C ATOM 588 CG GLU A 66 0.730 5.151 8.045 1.00 0.88 C ATOM 589 CD GLU A 66 0.254 5.838 9.303 1.00 1.12 C ATOM 590 OE1 GLU A 66 -0.355 5.166 10.161 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.480 7.057 9.442 1.00 1.75 O ATOM 0 H GLU A 66 -1.806 4.914 5.007 1.00 0.30 H new ATOM 0 HA GLU A 66 0.971 4.848 5.266 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.599 6.141 6.691 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.235 4.652 7.362 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.032 4.131 8.284 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.613 5.665 7.666 1.00 0.88 H new ATOM 598 N ARG A 67 -0.514 2.143 6.472 1.00 0.42 N ATOM 599 CA ARG A 67 -0.258 0.787 6.941 1.00 0.44 C ATOM 600 C ARG A 67 0.198 -0.119 5.801 1.00 0.39 C ATOM 601 O ARG A 67 0.841 -1.142 6.029 1.00 0.40 O ATOM 602 CB ARG A 67 -1.504 0.200 7.603 1.00 0.54 C ATOM 603 CG ARG A 67 -1.235 -1.111 8.328 1.00 0.74 C ATOM 604 CD ARG A 67 -2.491 -1.680 8.960 1.00 0.86 C ATOM 605 NE ARG A 67 -3.430 -2.192 7.964 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.668 -2.591 8.250 1.00 1.45 C ATOM 607 NH1 ARG A 67 -5.119 -2.528 9.499 1.00 1.71 N ATOM 608 NH2 ARG A 67 -5.451 -3.062 7.291 1.00 2.07 N ATOM 0 H ARG A 67 -1.496 2.418 6.486 1.00 0.42 H new ATOM 0 HA ARG A 67 0.544 0.842 7.677 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.907 0.924 8.312 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.269 0.038 6.844 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.823 -1.835 7.626 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.482 -0.951 9.099 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.219 -2.482 9.646 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -2.979 -0.906 9.553 1.00 0.86 H new ATOM 0 HE ARG A 67 -3.119 -2.247 6.994 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.516 -2.173 10.242 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -6.068 -2.834 9.715 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -5.106 -3.119 6.333 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -6.399 -3.367 7.511 1.00 2.07 H new ATOM 622 N LEU A 68 -0.119 0.264 4.573 1.00 0.35 N ATOM 623 CA LEU A 68 0.269 -0.531 3.417 1.00 0.34 C ATOM 624 C LEU A 68 1.770 -0.444 3.163 1.00 0.31 C ATOM 625 O LEU A 68 2.342 -1.299 2.494 1.00 0.40 O ATOM 626 CB LEU A 68 -0.528 -0.122 2.182 1.00 0.33 C ATOM 627 CG LEU A 68 -1.968 -0.641 2.153 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.627 -0.305 0.831 1.00 0.37 C ATOM 629 CD2 LEU A 68 -2.005 -2.142 2.400 1.00 0.61 C ATOM 0 H LEU A 68 -0.639 1.113 4.352 1.00 0.35 H new ATOM 0 HA LEU A 68 0.035 -1.573 3.635 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.546 0.966 2.121 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -0.008 -0.482 1.294 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.524 -0.149 2.951 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.650 -0.682 0.828 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.638 0.776 0.694 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -2.068 -0.768 0.018 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -3.038 -2.489 2.375 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.432 -2.652 1.626 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.572 -2.361 3.376 1.00 0.61 H new ATOM 641 N LEU A 69 2.413 0.562 3.739 1.00 0.27 N ATOM 642 CA LEU A 69 3.869 0.628 3.708 1.00 0.24 C ATOM 643 C LEU A 69 4.410 -0.229 4.841 1.00 0.25 C ATOM 644 O LEU A 69 5.424 -0.925 4.714 1.00 0.26 O ATOM 645 CB LEU A 69 4.392 2.066 3.856 1.00 0.25 C ATOM 646 CG LEU A 69 4.390 2.927 2.585 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.752 3.543 2.361 1.00 0.25 C ATOM 648 CD2 LEU A 69 3.982 2.121 1.371 1.00 0.30 C ATOM 0 H LEU A 69 1.959 1.334 4.227 1.00 0.27 H new ATOM 0 HA LEU A 69 4.209 0.262 2.739 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.792 2.572 4.612 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.412 2.021 4.237 1.00 0.25 H new ATOM 0 HG LEU A 69 3.657 3.721 2.727 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.732 4.150 1.456 1.00 0.25 H new ATOM 0 HD12 LEU A 69 6.012 4.171 3.213 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.495 2.753 2.252 1.00 0.25 H new ATOM 0 HD21 LEU A 69 3.991 2.762 0.489 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.682 1.298 1.229 1.00 0.30 H new ATOM 0 HD23 LEU A 69 2.978 1.722 1.519 1.00 0.30 H new ATOM 660 N ASP A 70 3.665 -0.245 5.929 1.00 0.29 N ATOM 661 CA ASP A 70 4.101 -0.941 7.117 1.00 0.35 C ATOM 662 C ASP A 70 4.080 -2.433 6.847 1.00 0.38 C ATOM 663 O ASP A 70 4.907 -3.176 7.369 1.00 0.43 O ATOM 664 CB ASP A 70 3.215 -0.573 8.307 1.00 0.43 C ATOM 665 CG ASP A 70 3.730 -1.122 9.620 1.00 0.91 C ATOM 666 OD1 ASP A 70 4.685 -0.538 10.181 1.00 1.62 O ATOM 667 OD2 ASP A 70 3.163 -2.112 10.120 1.00 1.56 O ATOM 0 H ASP A 70 2.758 0.215 6.012 1.00 0.29 H new ATOM 0 HA ASP A 70 5.119 -0.644 7.370 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.142 0.512 8.377 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.207 -0.949 8.133 1.00 0.43 H new ATOM 672 N GLU A 71 3.138 -2.868 6.006 1.00 0.42 N ATOM 673 CA GLU A 71 3.130 -4.227 5.484 1.00 0.50 C ATOM 674 C GLU A 71 4.170 -4.417 4.390 1.00 0.45 C ATOM 675 O GLU A 71 5.022 -5.286 4.497 1.00 0.48 O ATOM 676 CB GLU A 71 1.759 -4.560 4.900 1.00 0.61 C ATOM 677 CG GLU A 71 0.661 -4.707 5.936 1.00 0.94 C ATOM 678 CD GLU A 71 0.704 -6.058 6.615 1.00 1.47 C ATOM 679 OE1 GLU A 71 -0.186 -6.894 6.346 1.00 2.14 O ATOM 680 OE2 GLU A 71 1.647 -6.306 7.394 1.00 2.18 O ATOM 0 H GLU A 71 2.367 -2.289 5.673 1.00 0.42 H new ATOM 0 HA GLU A 71 3.364 -4.889 6.317 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.476 -3.777 4.196 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.834 -5.487 4.332 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.761 -3.921 6.685 1.00 0.94 H new ATOM 0 HG3 GLU A 71 -0.309 -4.571 5.458 1.00 0.94 H new ATOM 687 N GLU A 72 4.107 -3.595 3.341 1.00 0.43 N ATOM 688 CA GLU A 72 4.926 -3.830 2.155 1.00 0.45 C ATOM 689 C GLU A 72 6.403 -3.681 2.484 1.00 0.42 C ATOM 690 O GLU A 72 7.216 -4.513 2.112 1.00 0.47 O ATOM 691 CB GLU A 72 4.558 -2.881 1.019 1.00 0.46 C ATOM 692 CG GLU A 72 5.120 -3.330 -0.322 1.00 0.57 C ATOM 693 CD GLU A 72 4.521 -4.648 -0.791 1.00 0.91 C ATOM 694 OE1 GLU A 72 3.398 -4.988 -0.357 1.00 1.69 O ATOM 695 OE2 GLU A 72 5.168 -5.345 -1.598 1.00 1.33 O ATOM 0 H GLU A 72 3.506 -2.773 3.289 1.00 0.43 H new ATOM 0 HA GLU A 72 4.730 -4.851 1.826 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.473 -2.808 0.948 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.930 -1.883 1.249 1.00 0.46 H new ATOM 0 HG2 GLU A 72 4.927 -2.560 -1.069 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.202 -3.434 -0.243 1.00 0.57 H new ATOM 702 N ILE A 73 6.729 -2.642 3.226 1.00 0.35 N ATOM 703 CA ILE A 73 8.104 -2.385 3.609 1.00 0.34 C ATOM 704 C ILE A 73 8.618 -3.514 4.479 1.00 0.40 C ATOM 705 O ILE A 73 9.741 -3.983 4.306 1.00 0.45 O ATOM 706 CB ILE A 73 8.240 -1.034 4.344 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.135 0.110 3.340 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.536 -0.944 5.130 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.245 1.477 3.966 1.00 0.27 C ATOM 0 H ILE A 73 6.058 -1.959 3.577 1.00 0.35 H new ATOM 0 HA ILE A 73 8.705 -2.330 2.701 1.00 0.34 H new ATOM 0 HB ILE A 73 7.426 -0.957 5.065 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.920 -0.002 2.592 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.182 0.036 2.816 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.591 0.022 5.631 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.567 -1.741 5.873 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.382 -1.049 4.450 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.161 2.240 3.192 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.444 1.609 4.694 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.209 1.572 4.466 1.00 0.27 H new ATOM 721 N SER A 74 7.778 -3.982 5.391 1.00 0.41 N ATOM 722 CA SER A 74 8.190 -5.071 6.279 1.00 0.49 C ATOM 723 C SER A 74 8.323 -6.400 5.522 1.00 0.54 C ATOM 724 O SER A 74 9.243 -7.179 5.778 1.00 0.60 O ATOM 725 CB SER A 74 7.230 -5.226 7.463 1.00 0.52 C ATOM 726 OG SER A 74 5.920 -5.559 7.043 1.00 1.34 O ATOM 0 H SER A 74 6.829 -3.638 5.538 1.00 0.41 H new ATOM 0 HA SER A 74 9.172 -4.804 6.670 1.00 0.49 H new ATOM 0 HB2 SER A 74 7.603 -6.000 8.134 1.00 0.52 H new ATOM 0 HB3 SER A 74 7.203 -4.297 8.032 1.00 0.52 H new ATOM 0 HG SER A 74 5.416 -4.738 6.862 1.00 1.34 H new ATOM 732 N ARG A 75 7.425 -6.647 4.571 1.00 0.55 N ATOM 733 CA ARG A 75 7.440 -7.908 3.835 1.00 0.63 C ATOM 734 C ARG A 75 8.560 -7.920 2.795 1.00 0.65 C ATOM 735 O ARG A 75 9.180 -8.959 2.557 1.00 0.72 O ATOM 736 CB ARG A 75 6.080 -8.215 3.183 1.00 0.74 C ATOM 737 CG ARG A 75 5.561 -7.133 2.251 1.00 0.76 C ATOM 738 CD ARG A 75 4.301 -7.568 1.517 1.00 1.25 C ATOM 739 NE ARG A 75 3.180 -7.793 2.429 1.00 1.84 N ATOM 740 CZ ARG A 75 2.029 -7.117 2.382 1.00 2.73 C ATOM 741 NH1 ARG A 75 1.857 -6.130 1.508 1.00 3.05 N ATOM 742 NH2 ARG A 75 1.050 -7.416 3.227 1.00 3.67 N ATOM 0 H ARG A 75 6.687 -6.000 4.295 1.00 0.55 H new ATOM 0 HA ARG A 75 7.634 -8.700 4.559 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.163 -9.147 2.624 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.345 -8.380 3.970 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.353 -6.230 2.825 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.334 -6.879 1.525 1.00 0.76 H new ATOM 0 HD2 ARG A 75 4.026 -6.806 0.787 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.504 -8.483 0.961 1.00 1.25 H new ATOM 0 HE ARG A 75 3.284 -8.511 3.146 1.00 1.84 H new ATOM 0 HH11 ARG A 75 2.608 -5.882 0.864 1.00 3.05 H new ATOM 0 HH12 ARG A 75 0.974 -5.621 1.481 1.00 3.05 H new ATOM 0 HH21 ARG A 75 1.177 -8.161 3.912 1.00 3.67 H new ATOM 0 HH22 ARG A 75 0.171 -6.900 3.192 1.00 3.67 H new ATOM 756 N VAL A 76 8.831 -6.765 2.197 1.00 0.62 N ATOM 757 CA VAL A 76 9.946 -6.627 1.264 1.00 0.67 C ATOM 758 C VAL A 76 11.276 -6.794 2.001 1.00 0.71 C ATOM 759 O VAL A 76 12.250 -7.293 1.443 1.00 0.84 O ATOM 760 CB VAL A 76 9.913 -5.259 0.534 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.159 -5.049 -0.309 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.677 -5.144 -0.347 1.00 0.58 C ATOM 0 H VAL A 76 8.294 -5.910 2.341 1.00 0.62 H new ATOM 0 HA VAL A 76 9.848 -7.411 0.513 1.00 0.67 H new ATOM 0 HB VAL A 76 9.879 -4.486 1.301 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.103 -4.081 -0.806 1.00 0.64 H new ATOM 0 HG12 VAL A 76 12.041 -5.077 0.331 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.229 -5.838 -1.058 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.676 -4.176 -0.848 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.686 -5.939 -1.093 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.782 -5.234 0.268 1.00 0.58 H new ATOM 772 N ARG A 77 11.291 -6.417 3.274 1.00 0.65 N ATOM 773 CA ARG A 77 12.497 -6.537 4.086 1.00 0.73 C ATOM 774 C ARG A 77 12.681 -7.973 4.553 1.00 0.86 C ATOM 775 O ARG A 77 13.803 -8.431 4.760 1.00 0.98 O ATOM 776 CB ARG A 77 12.450 -5.596 5.291 1.00 0.75 C ATOM 777 CG ARG A 77 12.730 -4.145 4.940 1.00 0.81 C ATOM 778 CD ARG A 77 12.697 -3.255 6.169 1.00 0.84 C ATOM 779 NE ARG A 77 13.095 -1.881 5.864 1.00 1.39 N ATOM 780 CZ ARG A 77 12.842 -0.840 6.654 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.161 -1.007 7.780 1.00 1.45 N ATOM 782 NH2 ARG A 77 13.266 0.369 6.313 1.00 2.73 N ATOM 0 H ARG A 77 10.486 -6.027 3.765 1.00 0.65 H new ATOM 0 HA ARG A 77 13.347 -6.253 3.465 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.467 -5.665 5.757 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.178 -5.929 6.030 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.706 -4.068 4.461 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.992 -3.796 4.218 1.00 0.81 H new ATOM 0 HD2 ARG A 77 11.691 -3.256 6.590 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.361 -3.664 6.930 1.00 0.84 H new ATOM 0 HE ARG A 77 13.597 -1.710 4.993 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.830 -1.935 8.043 1.00 1.45 H new ATOM 0 HH12 ARG A 77 11.969 -0.207 8.383 1.00 1.45 H new ATOM 0 HH21 ARG A 77 13.786 0.501 5.445 1.00 2.73 H new ATOM 0 HH22 ARG A 77 13.072 1.167 6.918 1.00 2.73 H new ATOM 796 N LYS A 78 11.573 -8.683 4.705 1.00 0.90 N ATOM 797 CA LYS A 78 11.610 -10.071 5.119 1.00 1.08 C ATOM 798 C LYS A 78 12.201 -10.940 4.010 1.00 1.11 C ATOM 799 O LYS A 78 12.942 -11.884 4.277 1.00 1.32 O ATOM 800 CB LYS A 78 10.195 -10.529 5.530 1.00 1.13 C ATOM 801 CG LYS A 78 9.853 -11.967 5.165 1.00 1.35 C ATOM 802 CD LYS A 78 9.259 -12.052 3.767 1.00 2.01 C ATOM 803 CE LYS A 78 7.779 -11.700 3.758 1.00 2.67 C ATOM 804 NZ LYS A 78 7.188 -11.819 2.398 1.00 3.44 N ATOM 0 H LYS A 78 10.635 -8.316 4.546 1.00 0.90 H new ATOM 0 HA LYS A 78 12.258 -10.179 5.988 1.00 1.08 H new ATOM 0 HB2 LYS A 78 10.089 -10.409 6.608 1.00 1.13 H new ATOM 0 HB3 LYS A 78 9.465 -9.868 5.062 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.751 -12.583 5.220 1.00 1.35 H new ATOM 0 HG3 LYS A 78 9.145 -12.371 5.889 1.00 1.35 H new ATOM 0 HD2 LYS A 78 9.797 -11.376 3.102 1.00 2.01 H new ATOM 0 HD3 LYS A 78 9.395 -13.060 3.375 1.00 2.01 H new ATOM 0 HE2 LYS A 78 7.245 -12.358 4.444 1.00 2.67 H new ATOM 0 HE3 LYS A 78 7.646 -10.682 4.124 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 6.179 -11.571 2.435 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 7.680 -11.173 1.748 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 7.292 -12.797 2.059 1.00 3.44 H new ATOM 999 N THR B 38 -11.630 -7.580 4.118 1.00 0.97 N ATOM 1000 CA THR B 38 -13.024 -7.511 4.516 1.00 0.84 C ATOM 1001 C THR B 38 -13.679 -6.256 3.949 1.00 0.72 C ATOM 1002 O THR B 38 -12.973 -5.367 3.476 1.00 0.66 O ATOM 1003 CB THR B 38 -13.136 -7.509 6.055 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.087 -6.699 6.613 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.053 -8.922 6.613 1.00 0.95 C ATOM 0 HA THR B 38 -13.540 -8.386 4.120 1.00 0.84 H new ATOM 0 HB THR B 38 -14.106 -7.094 6.330 1.00 0.79 H new ATOM 0 HG1 THR B 38 -11.257 -6.850 6.114 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.135 -8.890 7.699 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.866 -9.522 6.206 1.00 0.95 H new ATOM 0 HG23 THR B 38 -12.098 -9.368 6.334 1.00 0.95 H new ATOM 1013 N PRO B 39 -15.020 -6.167 3.948 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.720 -4.961 3.497 1.00 0.70 C ATOM 1015 C PRO B 39 -15.184 -3.697 4.164 1.00 0.62 C ATOM 1016 O PRO B 39 -14.869 -2.724 3.486 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.167 -5.211 3.903 1.00 0.78 C ATOM 1018 CG PRO B 39 -17.303 -6.695 3.915 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.962 -7.233 4.339 1.00 0.83 C ATOM 0 HA PRO B 39 -15.592 -4.793 2.428 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.383 -4.785 4.883 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.861 -4.755 3.197 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -18.085 -7.009 4.606 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -17.579 -7.069 2.929 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -15.928 -7.424 5.412 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.732 -8.174 3.840 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.051 -3.728 5.489 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.490 -2.599 6.240 1.00 0.64 C ATOM 1029 C ASP B 40 -13.119 -2.209 5.696 1.00 0.57 C ATOM 1030 O ASP B 40 -12.784 -1.027 5.589 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.366 -2.955 7.724 1.00 0.72 C ATOM 1032 CG ASP B 40 -13.602 -1.909 8.513 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -12.391 -2.111 8.764 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -14.204 -0.881 8.887 1.00 2.16 O ATOM 0 H ASP B 40 -15.324 -4.522 6.068 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.167 -1.753 6.126 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -15.362 -3.070 8.151 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -13.864 -3.917 7.822 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.347 -3.222 5.338 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.022 -3.022 4.775 1.00 0.54 C ATOM 1041 C TYR B 41 -11.142 -2.352 3.406 1.00 0.46 C ATOM 1042 O TYR B 41 -10.375 -1.454 3.062 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.310 -4.379 4.638 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.800 -4.308 4.515 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.176 -3.295 3.801 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.001 -5.271 5.116 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -6.804 -3.239 3.693 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.626 -5.222 5.011 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.033 -4.204 4.300 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.664 -4.150 4.194 1.00 0.82 O ATOM 0 H TYR B 41 -12.619 -4.201 5.429 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.439 -2.379 5.435 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.559 -4.991 5.505 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.706 -4.892 3.761 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -8.777 -2.537 3.321 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.463 -6.071 5.675 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.336 -2.442 3.135 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -6.018 -5.979 5.484 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.268 -4.904 4.680 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.147 -2.765 2.652 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.274 -2.371 1.260 1.00 0.39 C ATOM 1062 C LEU B 42 -12.992 -1.031 1.102 1.00 0.36 C ATOM 1063 O LEU B 42 -12.688 -0.274 0.185 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.020 -3.457 0.483 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.184 -3.197 -1.015 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.830 -3.014 -1.679 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.948 -4.337 -1.667 1.00 0.48 C ATOM 0 H LEU B 42 -12.892 -3.378 2.984 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.268 -2.250 0.859 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.492 -4.402 0.615 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.009 -3.580 0.923 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.754 -2.277 -1.145 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.969 -2.830 -2.744 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.316 -2.165 -1.228 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.232 -3.915 -1.541 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.057 -4.139 -2.733 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.401 -5.269 -1.526 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.934 -4.422 -1.211 1.00 0.48 H new ATOM 1079 N MET B 43 -13.912 -0.717 2.006 1.00 0.39 N ATOM 1080 CA MET B 43 -14.750 0.467 1.842 1.00 0.40 C ATOM 1081 C MET B 43 -13.924 1.718 2.068 1.00 0.36 C ATOM 1082 O MET B 43 -14.095 2.734 1.390 1.00 0.36 O ATOM 1083 CB MET B 43 -15.939 0.454 2.807 1.00 0.47 C ATOM 1084 CG MET B 43 -16.899 -0.717 2.624 1.00 0.63 C ATOM 1085 SD MET B 43 -17.509 -0.890 0.935 1.00 0.85 S ATOM 1086 CE MET B 43 -16.369 -2.109 0.284 1.00 0.54 C ATOM 0 H MET B 43 -14.097 -1.258 2.851 1.00 0.39 H new ATOM 0 HA MET B 43 -15.141 0.461 0.825 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.559 0.438 3.829 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.495 1.384 2.688 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.395 -1.638 2.916 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.747 -0.590 3.297 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.839 -2.643 -0.542 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.468 -1.610 -0.073 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.105 -2.817 1.070 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.006 1.619 3.012 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.111 2.723 3.317 1.00 0.35 C ATOM 1098 C GLN B 44 -11.095 2.882 2.194 1.00 0.30 C ATOM 1099 O GLN B 44 -10.706 3.994 1.846 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.414 2.489 4.655 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.375 2.450 5.832 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.690 2.113 7.136 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -11.218 2.995 7.851 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -11.641 0.834 7.463 1.00 0.75 N ATOM 0 H GLN B 44 -12.860 0.786 3.582 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.689 3.643 3.398 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -10.865 1.549 4.612 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.681 3.279 4.819 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -12.868 3.418 5.925 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.154 1.713 5.635 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.045 0.133 6.842 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.200 0.548 8.337 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.701 1.755 1.607 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.798 1.759 0.463 1.00 0.25 C ATOM 1115 C LEU B 45 -10.442 2.425 -0.743 1.00 0.23 C ATOM 1116 O LEU B 45 -9.752 3.004 -1.585 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.384 0.335 0.099 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.192 -0.223 0.873 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.941 -1.674 0.494 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -6.955 0.609 0.590 1.00 0.31 C ATOM 0 H LEU B 45 -10.995 0.825 1.907 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.913 2.329 0.746 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.238 -0.324 0.257 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.150 0.304 -0.965 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.418 -0.177 1.938 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.088 -2.054 1.056 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.824 -2.269 0.728 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.731 -1.740 -0.574 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.109 0.204 1.146 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.734 0.582 -0.477 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.132 1.640 0.898 1.00 0.31 H new ATOM 1132 N MET B 46 -11.767 2.347 -0.823 1.00 0.26 N ATOM 1133 CA MET B 46 -12.491 2.949 -1.931 1.00 0.27 C ATOM 1134 C MET B 46 -12.320 4.452 -1.918 1.00 0.26 C ATOM 1135 O MET B 46 -12.244 5.083 -2.974 1.00 0.40 O ATOM 1136 CB MET B 46 -13.981 2.625 -1.887 1.00 0.33 C ATOM 1137 CG MET B 46 -14.307 1.152 -2.025 1.00 0.38 C ATOM 1138 SD MET B 46 -16.061 0.855 -2.331 1.00 0.49 S ATOM 1139 CE MET B 46 -16.810 1.858 -1.045 1.00 0.49 C ATOM 0 H MET B 46 -12.356 1.875 -0.137 1.00 0.26 H new ATOM 0 HA MET B 46 -12.073 2.529 -2.846 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.391 2.988 -0.945 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.483 3.172 -2.685 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.723 0.729 -2.842 1.00 0.38 H new ATOM 0 HG3 MET B 46 -14.007 0.631 -1.116 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.766 1.423 -0.755 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.149 1.892 -0.179 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.970 2.869 -1.419 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.244 5.032 -0.725 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.099 6.469 -0.592 1.00 0.30 C ATOM 1151 C ASN B 47 -10.647 6.864 -0.786 1.00 0.26 C ATOM 1152 O ASN B 47 -10.353 7.948 -1.274 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.567 6.928 0.790 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.443 8.428 0.983 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -12.662 9.211 0.059 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -12.079 8.837 2.185 1.00 1.43 N ATOM 0 H ASN B 47 -12.281 4.526 0.160 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.713 6.949 -1.354 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.606 6.632 0.934 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -11.982 6.418 1.555 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -11.970 9.834 2.373 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -11.907 8.156 2.925 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.737 5.961 -0.446 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.314 6.256 -0.517 1.00 0.25 C ATOM 1165 C ASP B 48 -7.877 6.349 -1.972 1.00 0.25 C ATOM 1166 O ASP B 48 -7.239 7.317 -2.388 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.496 5.168 0.192 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.505 5.276 1.706 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -7.370 4.235 2.383 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.616 6.400 2.227 1.00 0.74 O ATOM 0 H ASP B 48 -9.959 5.021 -0.119 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.137 7.209 -0.018 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.885 4.191 -0.094 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.465 5.216 -0.159 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.256 5.337 -2.745 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.921 5.267 -4.163 1.00 0.27 C ATOM 1177 C LYS B 49 -8.621 6.385 -4.935 1.00 0.33 C ATOM 1178 O LYS B 49 -8.158 6.823 -5.989 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.331 3.898 -4.717 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.374 3.340 -5.764 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.439 4.120 -7.064 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.721 3.833 -7.826 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.779 4.573 -9.113 1.00 2.10 N ATOM 0 H LYS B 49 -8.802 4.544 -2.408 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.845 5.395 -4.282 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.402 3.190 -3.891 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.326 3.978 -5.155 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.356 3.366 -5.376 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.615 2.294 -5.956 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.372 5.187 -6.852 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.581 3.864 -7.686 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -8.797 2.763 -8.019 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -9.578 4.107 -7.211 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -9.669 4.350 -9.602 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -8.733 5.595 -8.928 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -7.976 4.293 -9.711 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.724 6.865 -4.393 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.495 7.909 -5.046 1.00 0.37 C ATOM 1199 C LYS B 50 -9.927 9.279 -4.700 1.00 0.39 C ATOM 1200 O LYS B 50 -9.784 10.143 -5.563 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.964 7.831 -4.629 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.847 8.834 -5.348 1.00 1.14 C ATOM 1203 CD LYS B 50 -14.306 8.675 -4.962 1.00 1.67 C ATOM 1204 CE LYS B 50 -15.189 9.632 -5.745 1.00 2.35 C ATOM 1205 NZ LYS B 50 -15.043 9.446 -7.212 1.00 3.05 N ATOM 0 H LYS B 50 -10.107 6.549 -3.502 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.430 7.761 -6.124 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.336 6.825 -4.823 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.039 7.997 -3.554 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.516 9.845 -5.112 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.740 8.707 -6.425 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.624 7.649 -5.147 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.424 8.858 -3.894 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -16.230 9.479 -5.462 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.934 10.659 -5.482 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -15.862 9.864 -7.698 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -14.173 9.914 -7.536 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -14.992 8.430 -7.430 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.592 9.469 -3.432 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.060 10.733 -2.964 1.00 0.44 C ATOM 1221 C LEU B 51 -7.683 10.994 -3.568 1.00 0.43 C ATOM 1222 O LEU B 51 -7.371 12.125 -3.933 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.003 10.736 -1.429 1.00 0.48 C ATOM 1224 CG LEU B 51 -8.881 12.111 -0.761 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.460 12.065 0.643 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.429 12.563 -0.705 1.00 1.22 C ATOM 0 H LEU B 51 -9.681 8.757 -2.708 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.719 11.539 -3.287 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -9.902 10.250 -1.051 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.156 10.126 -1.116 1.00 0.48 H new ATOM 0 HG LEU B 51 -9.443 12.828 -1.359 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.368 13.047 1.107 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.512 11.785 0.594 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.916 11.330 1.237 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.370 13.541 -0.227 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -6.846 11.843 -0.131 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.029 12.630 -1.717 1.00 1.22 H new ATOM 1238 N MET B 52 -6.869 9.946 -3.713 1.00 0.39 N ATOM 1239 CA MET B 52 -5.524 10.105 -4.264 1.00 0.37 C ATOM 1240 C MET B 52 -5.580 10.544 -5.724 1.00 0.41 C ATOM 1241 O MET B 52 -4.748 11.328 -6.175 1.00 0.47 O ATOM 1242 CB MET B 52 -4.719 8.800 -4.147 1.00 0.33 C ATOM 1243 CG MET B 52 -5.285 7.646 -4.955 1.00 1.29 C ATOM 1244 SD MET B 52 -4.250 6.171 -4.897 1.00 1.25 S ATOM 1245 CE MET B 52 -4.212 5.840 -3.138 1.00 0.32 C ATOM 0 H MET B 52 -7.115 8.989 -3.459 1.00 0.39 H new ATOM 0 HA MET B 52 -5.024 10.879 -3.682 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.695 8.988 -4.470 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.674 8.507 -3.098 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.279 7.401 -4.581 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.403 7.960 -5.992 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.667 4.914 -2.954 1.00 0.32 H new ATOM 0 HE2 MET B 52 -3.715 6.662 -2.624 1.00 0.32 H new ATOM 0 HE3 MET B 52 -5.231 5.742 -2.764 1.00 0.32 H new ATOM 1255 N SER B 53 -6.579 10.061 -6.455 1.00 0.41 N ATOM 1256 CA SER B 53 -6.712 10.383 -7.866 1.00 0.47 C ATOM 1257 C SER B 53 -7.343 11.760 -8.048 1.00 0.51 C ATOM 1258 O SER B 53 -7.397 12.296 -9.155 1.00 0.62 O ATOM 1259 CB SER B 53 -7.531 9.306 -8.575 1.00 0.52 C ATOM 1260 OG SER B 53 -8.635 8.902 -7.784 1.00 1.15 O ATOM 0 H SER B 53 -7.307 9.446 -6.091 1.00 0.41 H new ATOM 0 HA SER B 53 -5.719 10.411 -8.314 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.886 9.686 -9.533 1.00 0.52 H new ATOM 0 HB3 SER B 53 -6.898 8.445 -8.788 1.00 0.52 H new ATOM 0 HG SER B 53 -8.363 8.170 -7.192 1.00 1.15 H new ATOM 1266 N SER B 54 -7.799 12.338 -6.945 1.00 0.49 N ATOM 1267 CA SER B 54 -8.352 13.682 -6.961 1.00 0.54 C ATOM 1268 C SER B 54 -7.257 14.691 -6.633 1.00 0.53 C ATOM 1269 O SER B 54 -7.462 15.903 -6.701 1.00 0.53 O ATOM 1270 CB SER B 54 -9.493 13.789 -5.948 1.00 0.60 C ATOM 1271 OG SER B 54 -10.461 12.771 -6.159 1.00 1.30 O ATOM 0 H SER B 54 -7.796 11.894 -6.027 1.00 0.49 H new ATOM 0 HA SER B 54 -8.746 13.898 -7.954 1.00 0.54 H new ATOM 0 HB2 SER B 54 -9.094 13.712 -4.937 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.966 14.768 -6.030 1.00 0.60 H new ATOM 0 HG SER B 54 -10.082 11.903 -5.908 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.090 14.174 -6.276 1.00 0.55 N ATOM 1278 CA LEU B 55 -4.960 15.012 -5.918 1.00 0.57 C ATOM 1279 C LEU B 55 -3.926 15.017 -7.036 1.00 0.65 C ATOM 1280 O LEU B 55 -3.315 13.990 -7.326 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.300 14.511 -4.633 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.230 14.305 -3.438 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.443 13.760 -2.260 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.933 15.600 -3.058 1.00 0.65 C ATOM 0 H LEU B 55 -5.903 13.172 -6.227 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.333 16.024 -5.760 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -3.803 13.565 -4.848 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.524 15.221 -4.346 1.00 0.51 H new ATOM 0 HG LEU B 55 -5.996 13.583 -3.719 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.112 13.615 -1.411 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -3.992 12.806 -2.534 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.659 14.467 -1.988 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.588 15.422 -2.205 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.191 16.353 -2.795 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.525 15.954 -3.902 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.692 16.178 -7.663 1.00 0.81 N ATOM 1297 CA PRO B 56 -2.669 16.313 -8.698 1.00 0.95 C ATOM 1298 C PRO B 56 -1.273 16.340 -8.084 1.00 0.88 C ATOM 1299 O PRO B 56 -0.263 16.303 -8.785 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.003 17.650 -9.358 1.00 1.14 C ATOM 1301 CG PRO B 56 -3.693 18.440 -8.298 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.400 17.447 -7.410 1.00 0.98 C ATOM 0 HA PRO B 56 -2.666 15.482 -9.403 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.102 18.156 -9.704 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.645 17.512 -10.228 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -2.976 19.029 -7.726 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.403 19.141 -8.738 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.340 17.736 -6.361 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.458 17.371 -7.659 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.241 16.391 -6.760 1.00 0.63 N ATOM 1311 CA ASN B 57 0.009 16.397 -6.019 1.00 0.62 C ATOM 1312 C ASN B 57 0.401 14.974 -5.655 1.00 0.57 C ATOM 1313 O ASN B 57 1.574 14.682 -5.426 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.103 17.246 -4.748 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.419 18.700 -5.038 1.00 1.32 C ATOM 1316 OD1 ASN B 57 0.476 19.505 -5.287 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -1.694 19.054 -4.978 1.00 1.73 N ATOM 0 H ASN B 57 -2.075 16.429 -6.174 1.00 0.63 H new ATOM 0 HA ASN B 57 0.778 16.836 -6.655 1.00 0.62 H new ATOM 0 HB2 ASN B 57 -0.881 16.831 -4.107 1.00 0.68 H new ATOM 0 HB3 ASN B 57 0.833 17.186 -4.193 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.962 20.024 -5.141 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -2.408 18.356 -4.768 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.595 14.090 -5.617 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.369 12.696 -5.260 1.00 0.70 C ATOM 1326 C PHE B 58 0.605 12.044 -6.228 1.00 0.90 C ATOM 1327 O PHE B 58 1.555 11.378 -5.807 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.680 11.915 -5.236 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.490 10.456 -4.936 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.185 10.036 -3.653 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.613 9.508 -5.936 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.005 8.695 -3.373 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.435 8.168 -5.663 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.131 7.761 -4.379 1.00 0.69 C ATOM 0 H PHE B 58 -1.566 14.318 -5.830 1.00 0.62 H new ATOM 0 HA PHE B 58 0.062 12.677 -4.259 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.342 12.351 -4.488 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.176 12.020 -6.201 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -1.087 10.765 -2.862 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -1.851 9.821 -6.942 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.766 8.379 -2.368 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.533 7.438 -6.453 1.00 1.15 H new ATOM 0 HZ PHE B 58 -0.992 6.712 -4.163 1.00 0.69 H new ATOM 1344 N SER B 59 0.351 12.226 -7.520 1.00 0.91 N ATOM 1345 CA SER B 59 1.250 11.752 -8.559 1.00 1.02 C ATOM 1346 C SER B 59 2.565 12.533 -8.537 1.00 1.10 C ATOM 1347 O SER B 59 2.854 13.325 -9.436 1.00 1.84 O ATOM 1348 CB SER B 59 0.564 11.872 -9.922 1.00 1.21 C ATOM 1349 OG SER B 59 -0.033 13.153 -10.082 1.00 1.84 O ATOM 0 H SER B 59 -0.479 12.703 -7.872 1.00 0.91 H new ATOM 0 HA SER B 59 1.487 10.704 -8.374 1.00 1.02 H new ATOM 0 HB2 SER B 59 1.292 11.705 -10.715 1.00 1.21 H new ATOM 0 HB3 SER B 59 -0.197 11.098 -10.019 1.00 1.21 H new ATOM 0 HG SER B 59 0.639 13.849 -9.926 1.00 1.84 H new ATOM 1355 N GLY B 60 3.343 12.314 -7.488 1.00 0.91 N ATOM 1356 CA GLY B 60 4.593 13.012 -7.314 1.00 0.88 C ATOM 1357 C GLY B 60 5.093 12.911 -5.890 1.00 0.67 C ATOM 1358 O GLY B 60 6.291 12.742 -5.657 1.00 0.74 O ATOM 0 H GLY B 60 3.123 11.652 -6.744 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.339 12.598 -7.992 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.465 14.061 -7.582 1.00 0.88 H new ATOM 1362 N ILE B 61 4.179 13.013 -4.926 1.00 0.51 N ATOM 1363 CA ILE B 61 4.554 12.912 -3.522 1.00 0.54 C ATOM 1364 C ILE B 61 4.779 11.467 -3.097 1.00 0.73 C ATOM 1365 O ILE B 61 5.674 11.192 -2.299 1.00 1.81 O ATOM 1366 CB ILE B 61 3.521 13.569 -2.573 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.114 12.999 -2.788 1.00 0.64 C ATOM 1368 CG2 ILE B 61 3.523 15.078 -2.759 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.053 13.653 -1.926 1.00 0.79 C ATOM 0 H ILE B 61 3.184 13.164 -5.092 1.00 0.51 H new ATOM 0 HA ILE B 61 5.491 13.462 -3.435 1.00 0.54 H new ATOM 0 HB ILE B 61 3.813 13.339 -1.548 1.00 0.58 H new ATOM 0 HG12 ILE B 61 1.841 13.116 -3.837 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.129 11.929 -2.580 1.00 0.64 H new ATOM 0 HG21 ILE B 61 2.793 15.528 -2.087 1.00 0.79 H new ATOM 0 HG22 ILE B 61 4.514 15.471 -2.534 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.263 15.318 -3.790 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.084 13.198 -2.133 1.00 0.79 H new ATOM 0 HD12 ILE B 61 1.302 13.513 -0.874 1.00 0.79 H new ATOM 0 HD13 ILE B 61 1.008 14.719 -2.150 1.00 0.79 H new ATOM 1381 N PHE B 62 3.995 10.532 -3.629 1.00 0.58 N ATOM 1382 CA PHE B 62 4.113 9.138 -3.235 1.00 0.50 C ATOM 1383 C PHE B 62 4.283 8.262 -4.467 1.00 0.51 C ATOM 1384 O PHE B 62 3.503 8.356 -5.415 1.00 0.76 O ATOM 1385 CB PHE B 62 2.870 8.695 -2.466 1.00 0.50 C ATOM 1386 CG PHE B 62 2.621 9.466 -1.202 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.643 9.703 -0.296 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.356 9.948 -0.915 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.407 10.404 0.865 1.00 0.53 C ATOM 1390 CE2 PHE B 62 1.118 10.652 0.246 1.00 0.68 C ATOM 1391 CZ PHE B 62 2.142 10.878 1.134 1.00 0.59 C ATOM 0 H PHE B 62 3.277 10.717 -4.329 1.00 0.58 H new ATOM 0 HA PHE B 62 4.986 9.034 -2.591 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.000 8.793 -3.116 1.00 0.50 H new ATOM 0 HB3 PHE B 62 2.966 7.637 -2.220 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.636 9.333 -0.503 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.547 9.771 -1.608 1.00 0.64 H new ATOM 0 HE1 PHE B 62 4.212 10.582 1.563 1.00 0.53 H new ATOM 0 HE2 PHE B 62 0.127 11.026 0.458 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.955 11.428 2.044 1.00 0.59 H new ATOM 1401 N THR B 63 5.294 7.416 -4.447 1.00 0.35 N ATOM 1402 CA THR B 63 5.618 6.585 -5.591 1.00 0.38 C ATOM 1403 C THR B 63 4.906 5.232 -5.530 1.00 0.30 C ATOM 1404 O THR B 63 4.202 4.854 -6.459 1.00 0.38 O ATOM 1405 CB THR B 63 7.137 6.348 -5.678 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.833 7.579 -5.454 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.523 5.790 -7.041 1.00 0.66 C ATOM 0 H THR B 63 5.910 7.285 -3.645 1.00 0.35 H new ATOM 0 HA THR B 63 5.276 7.119 -6.477 1.00 0.38 H new ATOM 0 HB THR B 63 7.414 5.622 -4.913 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.799 7.423 -5.509 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.601 5.631 -7.077 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.011 4.842 -7.204 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.234 6.497 -7.819 1.00 0.66 H new ATOM 1415 N HIS B 64 5.086 4.513 -4.425 1.00 0.26 N ATOM 1416 CA HIS B 64 4.614 3.124 -4.338 1.00 0.25 C ATOM 1417 C HIS B 64 3.213 3.011 -3.756 1.00 0.25 C ATOM 1418 O HIS B 64 2.560 1.977 -3.893 1.00 0.54 O ATOM 1419 CB HIS B 64 5.590 2.266 -3.538 1.00 0.34 C ATOM 1420 CG HIS B 64 6.804 1.899 -4.324 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.555 0.773 -4.088 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.378 2.513 -5.378 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.536 0.713 -4.969 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.451 1.757 -5.767 1.00 0.68 N ATOM 0 H HIS B 64 5.549 4.859 -3.584 1.00 0.26 H new ATOM 0 HA HIS B 64 4.566 2.751 -5.361 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.892 2.806 -2.640 1.00 0.34 H new ATOM 0 HB3 HIS B 64 5.085 1.357 -3.209 1.00 0.34 H new ATOM 0 HD1 HIS B 64 7.382 0.091 -3.349 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.050 3.436 -5.834 1.00 0.71 H new ATOM 0 HE1 HIS B 64 9.284 -0.064 -5.026 1.00 0.83 H new ATOM 1433 N LEU B 65 2.759 4.077 -3.120 1.00 0.32 N ATOM 1434 CA LEU B 65 1.467 4.081 -2.435 1.00 0.22 C ATOM 1435 C LEU B 65 0.315 3.771 -3.393 1.00 0.21 C ATOM 1436 O LEU B 65 -0.604 3.028 -3.048 1.00 0.24 O ATOM 1437 CB LEU B 65 1.236 5.433 -1.741 1.00 0.29 C ATOM 1438 CG LEU B 65 1.937 5.626 -0.383 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.473 4.588 0.621 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.445 5.559 -0.524 1.00 0.99 C ATOM 0 H LEU B 65 3.266 4.960 -3.061 1.00 0.32 H new ATOM 0 HA LEU B 65 1.490 3.292 -1.683 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.567 6.225 -2.413 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.164 5.565 -1.596 1.00 0.29 H new ATOM 0 HG LEU B 65 1.666 6.617 -0.020 1.00 0.36 H new ATOM 0 HD11 LEU B 65 1.983 4.747 1.571 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.397 4.679 0.768 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.705 3.591 0.247 1.00 0.84 H new ATOM 0 HD21 LEU B 65 3.908 5.699 0.453 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.730 4.586 -0.925 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.782 6.343 -1.201 1.00 0.99 H new ATOM 1452 N GLU B 66 0.381 4.326 -4.598 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.678 4.153 -5.589 1.00 0.40 C ATOM 1454 C GLU B 66 -0.912 2.678 -5.917 1.00 0.38 C ATOM 1455 O GLU B 66 -2.036 2.179 -5.816 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.328 4.913 -6.868 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.396 4.808 -7.944 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.001 5.505 -9.227 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -0.364 4.861 -10.089 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -1.338 6.691 -9.391 1.00 1.75 O ATOM 0 H GLU B 66 1.161 4.903 -4.915 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.597 4.553 -5.161 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.169 5.964 -6.625 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.614 4.531 -7.263 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -1.594 3.757 -8.152 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.325 5.240 -7.572 1.00 0.88 H new ATOM 1467 N ARG B 67 0.153 1.981 -6.299 1.00 0.42 N ATOM 1468 CA ARG B 67 0.040 0.595 -6.732 1.00 0.44 C ATOM 1469 C ARG B 67 -0.314 -0.322 -5.567 1.00 0.39 C ATOM 1470 O ARG B 67 -0.842 -1.414 -5.766 1.00 0.40 O ATOM 1471 CB ARG B 67 1.338 0.123 -7.386 1.00 0.54 C ATOM 1472 CG ARG B 67 1.213 -1.227 -8.076 1.00 0.74 C ATOM 1473 CD ARG B 67 2.525 -1.670 -8.696 1.00 0.86 C ATOM 1474 NE ARG B 67 3.512 -2.060 -7.689 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.789 -2.322 -7.965 1.00 1.45 C ATOM 1476 NH1 ARG B 67 5.232 -2.235 -9.214 1.00 1.71 N ATOM 1477 NH2 ARG B 67 5.619 -2.682 -6.993 1.00 2.07 N ATOM 0 H ARG B 67 1.102 2.353 -6.317 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.765 0.547 -7.466 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.660 0.867 -8.115 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.118 0.063 -6.627 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.882 -1.974 -7.355 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.447 -1.170 -8.850 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.342 -2.510 -9.366 1.00 0.86 H new ATOM 0 HD3 ARG B 67 2.929 -0.860 -9.303 1.00 0.86 H new ATOM 0 HE ARG B 67 3.205 -2.136 -6.719 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.594 -1.967 -9.964 1.00 1.71 H new ATOM 0 HH12 ARG B 67 6.210 -2.436 -9.423 1.00 1.71 H new ATOM 0 HH21 ARG B 67 5.279 -2.758 -6.034 1.00 2.07 H new ATOM 0 HH22 ARG B 67 6.596 -2.882 -7.205 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.036 0.124 -4.351 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.340 -0.677 -3.175 1.00 0.34 C ATOM 1493 C LEU B 68 -1.841 -0.739 -2.921 1.00 0.31 C ATOM 1494 O LEU B 68 -2.323 -1.631 -2.229 1.00 0.41 O ATOM 1495 CB LEU B 68 0.411 -0.155 -1.951 1.00 0.33 C ATOM 1496 CG LEU B 68 1.896 -0.518 -1.914 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.518 -0.080 -0.602 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.089 -2.013 -2.124 1.00 0.62 C ATOM 0 H LEU B 68 0.395 1.027 -4.154 1.00 0.36 H new ATOM 0 HA LEU B 68 0.000 -1.695 -3.366 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.315 0.930 -1.917 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.068 -0.546 -1.053 1.00 0.33 H new ATOM 0 HG LEU B 68 2.397 0.009 -2.726 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.575 -0.346 -0.594 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.415 1.000 -0.493 1.00 0.37 H new ATOM 0 HD13 LEU B 68 2.012 -0.578 0.225 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.152 -2.250 -2.094 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.573 -2.561 -1.336 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.680 -2.300 -3.093 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.587 0.178 -3.523 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.042 0.091 -3.490 1.00 0.24 C ATOM 1512 C LEU B 69 -4.492 -0.846 -4.599 1.00 0.25 C ATOM 1513 O LEU B 69 -5.435 -1.634 -4.454 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.712 1.462 -3.672 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.800 2.351 -2.422 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.219 2.824 -2.210 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.313 1.625 -1.188 1.00 0.30 C ATOM 0 H LEU B 69 -2.216 0.980 -4.033 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.341 -0.286 -2.512 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.168 2.009 -4.442 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.722 1.301 -4.049 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.153 3.213 -2.587 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.264 3.452 -1.321 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.544 3.399 -3.077 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.874 1.963 -2.079 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.390 2.285 -0.324 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -4.924 0.738 -1.023 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.273 1.329 -1.327 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.748 -0.815 -5.687 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.107 -1.585 -6.856 1.00 0.35 C ATOM 1531 C ASP B 70 -3.932 -3.060 -6.547 1.00 0.38 C ATOM 1532 O ASP B 70 -4.675 -3.897 -7.048 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.265 -1.163 -8.056 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.728 -1.795 -9.352 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -4.755 -1.338 -9.899 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -3.056 -2.720 -9.847 1.00 1.56 O ATOM 0 H ASP B 70 -2.894 -0.266 -5.784 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.150 -1.400 -7.113 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.299 -0.078 -8.154 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.225 -1.434 -7.877 1.00 0.43 H new ATOM 1541 N GLU B 71 -2.949 -3.370 -5.697 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.799 -4.709 -5.141 1.00 0.50 C ATOM 1543 C GLU B 71 -3.814 -4.976 -4.040 1.00 0.46 C ATOM 1544 O GLU B 71 -4.574 -5.929 -4.121 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.401 -4.880 -4.553 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.294 -4.927 -5.588 1.00 0.94 C ATOM 1547 CD GLU B 71 -0.184 -6.292 -6.232 1.00 1.47 C ATOM 1548 OE1 GLU B 71 0.802 -7.000 -5.955 1.00 2.14 O ATOM 1549 OE2 GLU B 71 -1.093 -6.672 -6.997 1.00 2.18 O ATOM 0 H GLU B 71 -2.244 -2.705 -5.380 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.962 -5.415 -5.955 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.205 -4.058 -3.865 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.375 -5.799 -3.967 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.483 -4.177 -6.356 1.00 0.94 H new ATOM 0 HG3 GLU B 71 0.655 -4.670 -5.117 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.835 -4.125 -3.013 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.627 -4.412 -1.820 1.00 0.45 C ATOM 1558 C GLU B 72 -6.110 -4.427 -2.150 1.00 0.42 C ATOM 1559 O GLU B 72 -6.834 -5.330 -1.754 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.360 -3.399 -0.711 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.870 -3.868 0.643 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.132 -5.099 1.143 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -2.978 -5.324 0.717 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.699 -5.841 1.968 1.00 1.33 O ATOM 0 H GLU B 72 -3.321 -3.245 -2.984 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.327 -5.398 -1.464 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.288 -3.210 -0.646 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.836 -2.452 -0.966 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.761 -3.062 1.369 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.935 -4.090 0.571 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.544 -3.445 -2.916 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.938 -3.344 -3.302 1.00 0.35 C ATOM 1573 C ILE B 73 -8.330 -4.545 -4.143 1.00 0.40 C ATOM 1574 O ILE B 73 -9.399 -5.124 -3.952 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.216 -2.034 -4.070 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.233 -0.861 -3.094 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.517 -2.101 -4.853 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.485 0.472 -3.753 1.00 0.27 C ATOM 0 H ILE B 73 -5.949 -2.703 -3.285 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.542 -3.330 -2.395 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.415 -1.889 -4.795 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -9.003 -1.036 -2.342 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.278 -0.822 -2.569 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.674 -1.159 -5.379 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.465 -2.915 -5.576 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.346 -2.277 -4.167 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.483 1.258 -2.997 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.702 0.670 -4.485 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.453 0.453 -4.254 1.00 0.27 H new ATOM 1590 N SER B 74 -7.449 -4.945 -5.046 1.00 0.41 N ATOM 1591 CA SER B 74 -7.747 -6.094 -5.903 1.00 0.49 C ATOM 1592 C SER B 74 -7.736 -7.410 -5.112 1.00 0.54 C ATOM 1593 O SER B 74 -8.568 -8.289 -5.344 1.00 0.60 O ATOM 1594 CB SER B 74 -6.779 -6.179 -7.090 1.00 0.52 C ATOM 1595 OG SER B 74 -5.445 -6.370 -6.665 1.00 1.34 O ATOM 0 H SER B 74 -6.542 -4.508 -5.207 1.00 0.41 H new ATOM 0 HA SER B 74 -8.753 -5.941 -6.294 1.00 0.49 H new ATOM 0 HB2 SER B 74 -7.074 -7.001 -7.742 1.00 0.52 H new ATOM 0 HB3 SER B 74 -6.845 -5.265 -7.680 1.00 0.52 H new ATOM 0 HG SER B 74 -4.943 -5.536 -6.778 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.817 -7.536 -4.158 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.699 -8.773 -3.389 1.00 0.63 C ATOM 1603 C ARG B 75 -7.810 -8.877 -2.344 1.00 0.65 C ATOM 1604 O ARG B 75 -8.313 -9.970 -2.072 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.313 -8.918 -2.734 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.913 -7.765 -1.832 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.616 -8.047 -1.089 1.00 1.26 C ATOM 1608 NE ARG B 75 -2.475 -8.174 -1.998 1.00 1.84 N ATOM 1609 CZ ARG B 75 -1.403 -7.381 -1.970 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -1.336 -6.361 -1.121 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -0.399 -7.596 -2.813 1.00 3.67 N ATOM 0 H ARG B 75 -6.151 -6.808 -3.901 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.811 -9.599 -4.092 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.296 -9.839 -2.152 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.565 -9.023 -3.519 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.800 -6.860 -2.429 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.709 -7.574 -1.112 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -3.424 -7.243 -0.378 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.722 -8.965 -0.511 1.00 1.26 H new ATOM 0 HE ARG B 75 -2.502 -8.916 -2.697 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -2.109 -6.178 -0.482 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -0.511 -5.761 -1.109 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -0.449 -8.366 -3.480 1.00 3.67 H new ATOM 0 HH22 ARG B 75 0.422 -6.991 -2.793 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.204 -7.740 -1.776 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.326 -7.697 -0.844 1.00 0.67 C ATOM 1627 C VAL B 76 -10.632 -8.021 -1.572 1.00 0.71 C ATOM 1628 O VAL B 76 -11.549 -8.607 -0.999 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.438 -6.317 -0.149 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.699 -6.218 0.692 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.220 -6.048 0.724 1.00 0.59 C ATOM 0 H VAL B 76 -7.762 -6.836 -1.945 1.00 0.62 H new ATOM 0 HA VAL B 76 -9.145 -8.447 -0.075 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.487 -5.564 -0.936 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.745 -5.237 1.165 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.573 -6.355 0.055 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.685 -6.991 1.461 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.322 -5.073 1.201 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.143 -6.820 1.489 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.321 -6.058 0.107 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.688 -7.680 -2.856 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.874 -7.945 -3.662 1.00 0.73 C ATOM 1643 C ARG B 77 -11.907 -9.404 -4.095 1.00 0.87 C ATOM 1644 O ARG B 77 -12.975 -9.983 -4.288 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.925 -7.033 -4.889 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.356 -5.611 -4.577 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.412 -4.755 -5.833 1.00 0.84 C ATOM 1648 NE ARG B 77 -12.952 -3.423 -5.564 1.00 1.38 N ATOM 1649 CZ ARG B 77 -12.808 -2.378 -6.379 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.114 -2.494 -7.505 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -13.357 -1.212 -6.063 1.00 2.73 N ATOM 0 H ARG B 77 -9.928 -7.221 -3.359 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.749 -7.737 -3.046 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.940 -7.010 -5.355 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.613 -7.460 -5.619 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.336 -5.624 -4.100 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.661 -5.167 -3.864 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.411 -4.662 -6.253 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -13.028 -5.251 -6.583 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.472 -3.285 -4.697 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.687 -3.387 -7.751 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -12.008 -1.690 -8.124 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -13.888 -1.116 -5.198 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -13.248 -0.411 -6.686 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.728 -9.999 -4.230 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.617 -11.393 -4.609 1.00 1.08 C ATOM 1667 C LYS B 78 -11.114 -12.290 -3.477 1.00 1.12 C ATOM 1668 O LYS B 78 -11.754 -13.314 -3.716 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.160 -11.710 -5.012 1.00 1.13 C ATOM 1670 CG LYS B 78 -8.667 -13.093 -4.609 1.00 1.35 C ATOM 1671 CD LYS B 78 -8.068 -13.079 -3.211 1.00 2.01 C ATOM 1672 CE LYS B 78 -6.633 -12.570 -3.210 1.00 2.67 C ATOM 1673 NZ LYS B 78 -6.033 -12.594 -1.847 1.00 3.44 N ATOM 0 H LYS B 78 -9.834 -9.531 -4.081 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.249 -11.591 -5.475 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -9.068 -11.609 -6.093 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -8.505 -10.963 -4.565 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.494 -13.802 -4.646 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -7.920 -13.438 -5.324 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -8.677 -12.449 -2.562 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -8.096 -14.086 -2.795 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -6.031 -13.182 -3.882 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -6.609 -11.552 -3.599 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -5.056 -12.240 -1.891 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -6.592 -11.990 -1.211 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -6.031 -13.569 -1.486 1.00 3.44 H new