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 44 GLN : amide:sc= 0.561 K(o=-0.75,f=-1.3) USER MOD Set 1.2: B 64 HIS : no HE2:sc= -1.32 K(o=-0.75,f=-2.9) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -1.27 K(o=-0.73,f=-2.7) USER MOD Set 2.2: B 44 GLN : amide:sc= 0.543 K(o=-0.73,f=-1.3) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00717 USER MOD Single : A 41 TYR OH : rot -31:sc= 1.23 USER MOD Single : A 43 MET CE :methyl 165:sc= -0.477 (180deg=-0.699) USER MOD Single : A 46 MET CE :methyl -152:sc= -1.36 (180deg=-2.58!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.109 (180deg=-0.425) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -0.0212 (180deg=-0.186) USER MOD Single : A 52 MET CE :methyl 178:sc= -10.7! (180deg=-10.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -34:sc= 0.449 USER MOD Single : A 57 ASN : amide:sc= -1.81 X(o=-1.8,f=-2.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -48:sc= 0.28 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=-0.00767 USER MOD Single : B 41 TYR OH : rot -31:sc= 1.23 USER MOD Single : B 43 MET CE :methyl 165:sc= -0.484 (180deg=-0.69) USER MOD Single : B 46 MET CE :methyl -153:sc= -1.43 (180deg=-2.6!) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : B 49 LYS NZ :NH3+ -160:sc= -0.0695 (180deg=-0.448) USER MOD Single : B 50 LYS NZ :NH3+ -168:sc=-0.00687 (180deg=-0.175) USER MOD Single : B 52 MET CE :methyl 169:sc= -10.4! (180deg=-10.8!) USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot -26:sc= 0.33 USER MOD Single : B 57 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.3!) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot -47:sc= 0.286 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 11.862 -6.168 -4.490 1.00 0.97 N ATOM 131 CA THR A 38 13.262 -6.028 -4.852 1.00 0.83 C ATOM 132 C THR A 38 13.869 -4.828 -4.126 1.00 0.72 C ATOM 133 O THR A 38 13.124 -3.973 -3.642 1.00 0.65 O ATOM 134 CB THR A 38 13.424 -5.852 -6.376 1.00 0.79 C ATOM 135 OG1 THR A 38 12.537 -4.825 -6.848 1.00 0.85 O ATOM 136 CG2 THR A 38 13.136 -7.154 -7.109 1.00 0.95 C ATOM 0 HA THR A 38 13.784 -6.937 -4.554 1.00 0.83 H new ATOM 0 HB THR A 38 14.456 -5.563 -6.577 1.00 0.79 H new ATOM 0 HG1 THR A 38 12.646 -4.718 -7.816 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.257 -7.002 -8.182 1.00 0.95 H new ATOM 0 HG22 THR A 38 13.830 -7.923 -6.771 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.114 -7.470 -6.901 1.00 0.95 H new ATOM 144 N PRO A 39 15.208 -4.747 -4.005 1.00 0.74 N ATOM 145 CA PRO A 39 15.866 -3.627 -3.324 1.00 0.70 C ATOM 146 C PRO A 39 15.389 -2.274 -3.837 1.00 0.62 C ATOM 147 O PRO A 39 15.002 -1.412 -3.052 1.00 0.56 O ATOM 148 CB PRO A 39 17.340 -3.827 -3.645 1.00 0.78 C ATOM 149 CG PRO A 39 17.479 -5.293 -3.867 1.00 0.87 C ATOM 150 CD PRO A 39 16.183 -5.742 -4.490 1.00 0.83 C ATOM 0 HA PRO A 39 15.648 -3.620 -2.256 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.633 -3.262 -4.530 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.974 -3.488 -2.826 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.323 -5.510 -4.522 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.662 -5.815 -2.928 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.242 -5.750 -5.578 1.00 0.83 H new ATOM 0 HD3 PRO A 39 15.916 -6.752 -4.178 1.00 0.83 H new ATOM 158 N ASP A 40 15.391 -2.103 -5.155 1.00 0.66 N ATOM 159 CA ASP A 40 14.942 -0.855 -5.773 1.00 0.64 C ATOM 160 C ASP A 40 13.506 -0.537 -5.372 1.00 0.58 C ATOM 161 O ASP A 40 13.171 0.609 -5.068 1.00 0.58 O ATOM 162 CB ASP A 40 15.045 -0.938 -7.296 1.00 0.72 C ATOM 163 CG ASP A 40 16.475 -1.029 -7.782 1.00 1.44 C ATOM 164 OD1 ASP A 40 17.078 0.024 -8.081 1.00 2.22 O ATOM 165 OD2 ASP A 40 17.004 -2.156 -7.871 1.00 2.15 O ATOM 0 H ASP A 40 15.699 -2.813 -5.819 1.00 0.66 H new ATOM 0 HA ASP A 40 15.592 -0.055 -5.417 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.491 -1.809 -7.646 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.571 -0.060 -7.736 1.00 0.72 H new ATOM 170 N TYR A 41 12.668 -1.565 -5.371 1.00 0.57 N ATOM 171 CA TYR A 41 11.280 -1.432 -4.942 1.00 0.54 C ATOM 172 C TYR A 41 11.217 -0.942 -3.496 1.00 0.46 C ATOM 173 O TYR A 41 10.329 -0.170 -3.128 1.00 0.43 O ATOM 174 CB TYR A 41 10.554 -2.777 -5.079 1.00 0.61 C ATOM 175 CG TYR A 41 9.055 -2.704 -4.874 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.496 -2.792 -3.604 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.198 -2.555 -5.955 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.127 -2.733 -3.419 1.00 0.69 C ATOM 179 CE2 TYR A 41 6.829 -2.494 -5.779 1.00 0.88 C ATOM 180 CZ TYR A 41 6.298 -2.586 -4.511 1.00 0.73 C ATOM 181 OH TYR A 41 4.936 -2.524 -4.337 1.00 0.81 O ATOM 0 H TYR A 41 12.927 -2.507 -5.664 1.00 0.57 H new ATOM 0 HA TYR A 41 10.785 -0.699 -5.579 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.753 -3.184 -6.070 1.00 0.61 H new ATOM 0 HB3 TYR A 41 10.973 -3.477 -4.357 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.143 -2.909 -2.747 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.608 -2.485 -6.952 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.710 -2.802 -2.425 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.178 -2.375 -6.632 1.00 0.88 H new ATOM 0 HH TYR A 41 4.681 -3.060 -3.557 1.00 0.81 H new ATOM 191 N LEU A 42 12.184 -1.367 -2.692 1.00 0.44 N ATOM 192 CA LEU A 42 12.204 -1.036 -1.273 1.00 0.39 C ATOM 193 C LEU A 42 12.815 0.341 -1.030 1.00 0.37 C ATOM 194 O LEU A 42 12.405 1.049 -0.114 1.00 0.34 O ATOM 195 CB LEU A 42 12.985 -2.094 -0.487 1.00 0.43 C ATOM 196 CG LEU A 42 13.117 -1.828 1.018 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.750 -1.732 1.671 1.00 0.37 C ATOM 198 CD2 LEU A 42 13.947 -2.913 1.686 1.00 0.48 C ATOM 0 H LEU A 42 12.967 -1.944 -3.000 1.00 0.44 H new ATOM 0 HA LEU A 42 11.171 -1.018 -0.926 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.499 -3.059 -0.627 1.00 0.43 H new ATOM 0 HB3 LEU A 42 13.985 -2.176 -0.914 1.00 0.43 H new ATOM 0 HG LEU A 42 13.628 -0.874 1.147 1.00 0.41 H new ATOM 0 HD11 LEU A 42 11.869 -1.543 2.738 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.187 -0.916 1.218 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.211 -2.668 1.526 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.028 -2.704 2.753 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.466 -3.880 1.541 1.00 0.48 H new ATOM 0 HD23 LEU A 42 14.943 -2.933 1.244 1.00 0.48 H new ATOM 210 N MET A 43 13.762 0.742 -1.871 1.00 0.40 N ATOM 211 CA MET A 43 14.491 1.987 -1.646 1.00 0.40 C ATOM 212 C MET A 43 13.570 3.162 -1.911 1.00 0.37 C ATOM 213 O MET A 43 13.591 4.173 -1.206 1.00 0.36 O ATOM 214 CB MET A 43 15.723 2.089 -2.554 1.00 0.47 C ATOM 215 CG MET A 43 16.747 0.976 -2.374 1.00 0.63 C ATOM 216 SD MET A 43 17.332 0.804 -0.676 1.00 0.85 S ATOM 217 CE MET A 43 16.361 -0.593 -0.113 1.00 0.55 C ATOM 0 H MET A 43 14.042 0.230 -2.707 1.00 0.40 H new ATOM 0 HA MET A 43 14.832 2.000 -0.611 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.391 2.093 -3.592 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.212 3.046 -2.372 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.306 0.032 -2.695 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.599 1.168 -3.026 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.789 -0.986 0.809 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.335 -0.273 0.071 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.367 -1.371 -0.876 1.00 0.55 H new ATOM 227 N GLN A 44 12.734 2.990 -2.920 1.00 0.36 N ATOM 228 CA GLN A 44 11.766 4.004 -3.290 1.00 0.35 C ATOM 229 C GLN A 44 10.700 4.108 -2.207 1.00 0.30 C ATOM 230 O GLN A 44 10.232 5.198 -1.883 1.00 0.30 O ATOM 231 CB GLN A 44 11.133 3.660 -4.635 1.00 0.42 C ATOM 232 CG GLN A 44 12.125 3.642 -5.786 1.00 0.52 C ATOM 233 CD GLN A 44 11.515 3.118 -7.069 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.948 3.870 -7.853 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.629 1.818 -7.288 1.00 0.75 N ATOM 0 H GLN A 44 12.708 2.151 -3.500 1.00 0.36 H new ATOM 0 HA GLN A 44 12.268 4.967 -3.385 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.655 2.683 -4.563 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.348 4.384 -4.854 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.502 4.651 -5.952 1.00 0.52 H new ATOM 0 HG3 GLN A 44 12.980 3.023 -5.515 1.00 0.52 H new ATOM 0 HE21 GLN A 44 12.109 1.227 -6.610 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.237 1.407 -8.135 1.00 0.75 H new ATOM 244 N LEU A 45 10.353 2.961 -1.628 1.00 0.27 N ATOM 245 CA LEU A 45 9.389 2.904 -0.536 1.00 0.25 C ATOM 246 C LEU A 45 9.910 3.612 0.703 1.00 0.23 C ATOM 247 O LEU A 45 9.135 4.182 1.476 1.00 0.23 O ATOM 248 CB LEU A 45 9.064 1.455 -0.177 1.00 0.29 C ATOM 249 CG LEU A 45 7.915 0.817 -0.953 1.00 0.32 C ATOM 250 CD1 LEU A 45 7.767 -0.643 -0.566 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.620 1.560 -0.679 1.00 0.31 C ATOM 0 H LEU A 45 10.729 2.053 -1.901 1.00 0.27 H new ATOM 0 HA LEU A 45 8.487 3.409 -0.880 1.00 0.25 H new ATOM 0 HB2 LEU A 45 9.960 0.853 -0.332 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.829 1.409 0.886 1.00 0.29 H new ATOM 0 HG LEU A 45 8.138 0.879 -2.018 1.00 0.32 H new ATOM 0 HD11 LEU A 45 6.944 -1.086 -1.127 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.690 -1.175 -0.795 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.560 -0.717 0.502 1.00 0.38 H new ATOM 0 HD21 LEU A 45 5.808 1.095 -1.238 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.396 1.519 0.387 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.725 2.600 -0.988 1.00 0.31 H new ATOM 263 N MET A 46 11.225 3.582 0.892 1.00 0.26 N ATOM 264 CA MET A 46 11.831 4.198 2.063 1.00 0.28 C ATOM 265 C MET A 46 11.588 5.692 2.052 1.00 0.27 C ATOM 266 O MET A 46 11.486 6.319 3.105 1.00 0.41 O ATOM 267 CB MET A 46 13.334 3.938 2.132 1.00 0.33 C ATOM 268 CG MET A 46 13.716 2.474 2.262 1.00 0.39 C ATOM 269 SD MET A 46 15.462 2.256 2.662 1.00 0.49 S ATOM 270 CE MET A 46 16.224 3.353 1.467 1.00 0.49 C ATOM 0 H MET A 46 11.886 3.140 0.253 1.00 0.26 H new ATOM 0 HA MET A 46 11.365 3.748 2.940 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.801 4.344 1.235 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.746 4.484 2.981 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.107 2.009 3.037 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.492 1.958 1.328 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.225 2.993 1.230 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.622 3.376 0.559 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.289 4.358 1.885 1.00 0.49 H new ATOM 280 N ASN A 47 11.476 6.267 0.862 1.00 0.24 N ATOM 281 CA ASN A 47 11.239 7.694 0.733 1.00 0.30 C ATOM 282 C ASN A 47 9.761 8.007 0.901 1.00 0.26 C ATOM 283 O ASN A 47 9.401 9.074 1.393 1.00 0.27 O ATOM 284 CB ASN A 47 11.725 8.183 -0.633 1.00 0.42 C ATOM 285 CG ASN A 47 11.457 9.660 -0.865 1.00 0.80 C ATOM 286 OD1 ASN A 47 10.439 10.038 -1.445 1.00 1.61 O ATOM 287 ND2 ASN A 47 12.369 10.505 -0.412 1.00 1.42 N ATOM 0 H ASN A 47 11.546 5.767 -0.024 1.00 0.24 H new ATOM 0 HA ASN A 47 11.794 8.210 1.516 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.795 7.996 -0.720 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.235 7.603 -1.415 1.00 0.42 H new ATOM 0 HD21 ASN A 47 12.241 11.509 -0.538 1.00 1.42 H new ATOM 0 HD22 ASN A 47 13.199 10.152 0.064 1.00 1.42 H new ATOM 294 N ASP A 48 8.904 7.058 0.537 1.00 0.24 N ATOM 295 CA ASP A 48 7.462 7.275 0.604 1.00 0.24 C ATOM 296 C ASP A 48 7.019 7.332 2.065 1.00 0.25 C ATOM 297 O ASP A 48 6.323 8.258 2.487 1.00 0.30 O ATOM 298 CB ASP A 48 6.688 6.153 -0.110 1.00 0.25 C ATOM 299 CG ASP A 48 6.898 6.086 -1.615 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.206 4.989 -2.126 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.725 7.115 -2.299 1.00 0.74 O ATOM 0 H ASP A 48 9.180 6.137 0.195 1.00 0.24 H new ATOM 0 HA ASP A 48 7.243 8.218 0.103 1.00 0.24 H new ATOM 0 HB2 ASP A 48 6.979 5.197 0.325 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.624 6.283 0.088 1.00 0.25 H new ATOM 306 N LYS A 49 7.455 6.332 2.832 1.00 0.22 N ATOM 307 CA LYS A 49 7.131 6.222 4.255 1.00 0.27 C ATOM 308 C LYS A 49 7.714 7.397 5.041 1.00 0.32 C ATOM 309 O LYS A 49 7.177 7.804 6.070 1.00 0.44 O ATOM 310 CB LYS A 49 7.673 4.898 4.810 1.00 0.31 C ATOM 311 CG LYS A 49 6.798 4.258 5.885 1.00 0.59 C ATOM 312 CD LYS A 49 6.811 5.042 7.188 1.00 0.92 C ATOM 313 CE LYS A 49 8.118 4.860 7.952 1.00 1.45 C ATOM 314 NZ LYS A 49 8.360 3.438 8.330 1.00 2.10 N ATOM 0 H LYS A 49 8.043 5.575 2.484 1.00 0.22 H new ATOM 0 HA LYS A 49 6.047 6.244 4.365 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.789 4.193 3.986 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.667 5.071 5.223 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.774 4.184 5.519 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.144 3.241 6.073 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.660 6.100 6.976 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.978 4.720 7.813 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.946 5.217 7.340 1.00 1.45 H new ATOM 0 HE3 LYS A 49 8.099 5.475 8.852 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 9.046 3.398 9.110 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.466 3.002 8.633 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 8.737 2.920 7.511 1.00 2.10 H new ATOM 328 N LYS A 50 8.795 7.967 4.539 1.00 0.30 N ATOM 329 CA LYS A 50 9.442 9.074 5.224 1.00 0.37 C ATOM 330 C LYS A 50 8.760 10.375 4.848 1.00 0.39 C ATOM 331 O LYS A 50 8.546 11.246 5.692 1.00 0.43 O ATOM 332 CB LYS A 50 10.933 9.133 4.890 1.00 0.42 C ATOM 333 CG LYS A 50 11.822 8.466 5.933 1.00 1.14 C ATOM 334 CD LYS A 50 11.462 7.003 6.145 1.00 1.67 C ATOM 335 CE LYS A 50 12.331 6.365 7.220 1.00 2.35 C ATOM 336 NZ LYS A 50 13.771 6.385 6.856 1.00 3.05 N ATOM 0 H LYS A 50 9.241 7.685 3.666 1.00 0.30 H new ATOM 0 HA LYS A 50 9.350 8.919 6.299 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.099 8.655 3.925 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.232 10.176 4.785 1.00 0.42 H new ATOM 0 HG2 LYS A 50 12.864 8.540 5.621 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.734 9.001 6.879 1.00 1.14 H new ATOM 0 HD2 LYS A 50 10.413 6.923 6.429 1.00 1.67 H new ATOM 0 HD3 LYS A 50 11.581 6.458 5.208 1.00 1.67 H new ATOM 0 HE2 LYS A 50 12.188 6.893 8.163 1.00 2.35 H new ATOM 0 HE3 LYS A 50 12.012 5.335 7.380 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.304 5.783 7.516 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 13.889 6.026 5.887 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 14.129 7.360 6.910 1.00 3.05 H new ATOM 350 N LEU A 51 8.411 10.495 3.575 1.00 0.38 N ATOM 351 CA LEU A 51 7.692 11.654 3.078 1.00 0.44 C ATOM 352 C LEU A 51 6.360 11.808 3.806 1.00 0.42 C ATOM 353 O LEU A 51 6.008 12.902 4.240 1.00 0.47 O ATOM 354 CB LEU A 51 7.461 11.517 1.568 1.00 0.48 C ATOM 355 CG LEU A 51 7.737 12.774 0.736 1.00 0.70 C ATOM 356 CD1 LEU A 51 7.609 12.462 -0.746 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.795 13.902 1.119 1.00 1.22 C ATOM 0 H LEU A 51 8.618 9.795 2.863 1.00 0.38 H new ATOM 0 HA LEU A 51 8.291 12.546 3.265 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.092 10.711 1.194 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.427 11.215 1.403 1.00 0.48 H new ATOM 0 HG LEU A 51 8.756 13.100 0.943 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.807 13.363 -1.326 1.00 1.10 H new ATOM 0 HD12 LEU A 51 8.328 11.689 -1.019 1.00 1.10 H new ATOM 0 HD13 LEU A 51 6.600 12.109 -0.958 1.00 1.10 H new ATOM 0 HD21 LEU A 51 7.014 14.781 0.513 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.765 13.590 0.947 1.00 1.22 H new ATOM 0 HD23 LEU A 51 6.929 14.146 2.173 1.00 1.22 H new ATOM 369 N MET A 52 5.638 10.702 3.981 1.00 0.39 N ATOM 370 CA MET A 52 4.333 10.741 4.633 1.00 0.37 C ATOM 371 C MET A 52 4.483 11.058 6.115 1.00 0.41 C ATOM 372 O MET A 52 3.619 11.692 6.717 1.00 0.47 O ATOM 373 CB MET A 52 3.594 9.407 4.447 1.00 0.33 C ATOM 374 CG MET A 52 4.286 8.210 5.084 1.00 1.29 C ATOM 375 SD MET A 52 3.452 6.643 4.745 1.00 1.25 S ATOM 376 CE MET A 52 3.546 6.579 2.956 1.00 0.31 C ATOM 0 H MET A 52 5.934 9.773 3.682 1.00 0.39 H new ATOM 0 HA MET A 52 3.744 11.531 4.167 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.593 9.499 4.868 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.475 9.217 3.380 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.312 8.155 4.719 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.339 8.360 6.162 1.00 1.29 H new ATOM 0 HE1 MET A 52 3.103 5.648 2.601 1.00 0.31 H new ATOM 0 HE2 MET A 52 3.003 7.424 2.533 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.590 6.626 2.645 1.00 0.31 H new ATOM 386 N SER A 53 5.602 10.631 6.686 1.00 0.40 N ATOM 387 CA SER A 53 5.900 10.875 8.089 1.00 0.47 C ATOM 388 C SER A 53 6.144 12.367 8.336 1.00 0.50 C ATOM 389 O SER A 53 6.022 12.854 9.461 1.00 0.62 O ATOM 390 CB SER A 53 7.128 10.050 8.498 1.00 0.52 C ATOM 391 OG SER A 53 7.429 10.192 9.877 1.00 1.15 O ATOM 0 H SER A 53 6.325 10.108 6.191 1.00 0.40 H new ATOM 0 HA SER A 53 5.047 10.571 8.696 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.950 8.999 8.272 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.988 10.362 7.905 1.00 0.52 H new ATOM 0 HG SER A 53 8.215 9.651 10.098 1.00 1.15 H new ATOM 397 N SER A 54 6.475 13.089 7.272 1.00 0.49 N ATOM 398 CA SER A 54 6.738 14.515 7.367 1.00 0.53 C ATOM 399 C SER A 54 5.509 15.324 6.942 1.00 0.53 C ATOM 400 O SER A 54 5.526 16.555 6.969 1.00 0.53 O ATOM 401 CB SER A 54 7.945 14.877 6.493 1.00 0.60 C ATOM 402 OG SER A 54 8.307 16.239 6.640 1.00 1.30 O ATOM 0 H SER A 54 6.567 12.706 6.331 1.00 0.49 H new ATOM 0 HA SER A 54 6.961 14.762 8.405 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.791 14.244 6.761 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.712 14.673 5.448 1.00 0.60 H new ATOM 0 HG SER A 54 7.502 16.777 6.794 1.00 1.30 H new ATOM 408 N LEU A 55 4.447 14.626 6.559 1.00 0.54 N ATOM 409 CA LEU A 55 3.226 15.277 6.098 1.00 0.57 C ATOM 410 C LEU A 55 2.101 15.133 7.123 1.00 0.65 C ATOM 411 O LEU A 55 1.533 14.053 7.281 1.00 0.65 O ATOM 412 CB LEU A 55 2.789 14.688 4.752 1.00 0.51 C ATOM 413 CG LEU A 55 3.744 14.942 3.582 1.00 0.53 C ATOM 414 CD1 LEU A 55 3.301 14.159 2.357 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.822 16.427 3.265 1.00 0.64 C ATOM 0 H LEU A 55 4.406 13.607 6.558 1.00 0.54 H new ATOM 0 HA LEU A 55 3.437 16.339 5.973 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.664 13.612 4.869 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.811 15.097 4.496 1.00 0.51 H new ATOM 0 HG LEU A 55 4.738 14.602 3.870 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.990 14.350 1.534 1.00 0.56 H new ATOM 0 HD12 LEU A 55 3.298 13.094 2.588 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.297 14.471 2.069 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.506 16.586 2.431 1.00 0.64 H new ATOM 0 HD22 LEU A 55 2.831 16.794 2.997 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.185 16.967 4.139 1.00 0.64 H new ATOM 427 N PRO A 56 1.755 16.226 7.823 1.00 0.81 N ATOM 428 CA PRO A 56 0.678 16.231 8.827 1.00 0.94 C ATOM 429 C PRO A 56 -0.700 16.005 8.207 1.00 0.88 C ATOM 430 O PRO A 56 -1.680 15.755 8.908 1.00 1.19 O ATOM 431 CB PRO A 56 0.756 17.633 9.446 1.00 1.14 C ATOM 432 CG PRO A 56 2.087 18.170 9.041 1.00 1.26 C ATOM 433 CD PRO A 56 2.398 17.543 7.716 1.00 0.98 C ATOM 0 HA PRO A 56 0.804 15.425 9.550 1.00 0.94 H new ATOM 0 HB2 PRO A 56 -0.051 18.269 9.083 1.00 1.14 H new ATOM 0 HB3 PRO A 56 0.663 17.589 10.531 1.00 1.14 H new ATOM 0 HG2 PRO A 56 2.062 19.257 8.962 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.849 17.921 9.779 1.00 1.26 H new ATOM 0 HD2 PRO A 56 1.994 18.125 6.888 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.472 17.457 7.551 1.00 0.98 H new ATOM 441 N ASN A 57 -0.760 16.084 6.886 1.00 0.63 N ATOM 442 CA ASN A 57 -2.002 15.861 6.157 1.00 0.62 C ATOM 443 C ASN A 57 -2.212 14.370 5.928 1.00 0.57 C ATOM 444 O ASN A 57 -3.327 13.916 5.658 1.00 0.59 O ATOM 445 CB ASN A 57 -1.987 16.598 4.812 1.00 0.68 C ATOM 446 CG ASN A 57 -0.805 16.213 3.941 1.00 1.32 C ATOM 447 OD1 ASN A 57 -0.851 15.224 3.213 1.00 2.22 O ATOM 448 ND2 ASN A 57 0.257 17.001 3.996 1.00 1.73 N ATOM 0 H ASN A 57 0.041 16.302 6.293 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.824 16.253 6.755 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -2.912 16.384 4.276 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -1.964 17.673 4.992 1.00 0.68 H new ATOM 0 HD21 ASN A 57 1.075 16.796 3.422 1.00 1.73 H new ATOM 0 HD22 ASN A 57 0.258 17.813 4.613 1.00 1.73 H new ATOM 455 N PHE A 58 -1.129 13.614 6.045 1.00 0.62 N ATOM 456 CA PHE A 58 -1.170 12.181 5.823 1.00 0.70 C ATOM 457 C PHE A 58 -1.744 11.468 7.032 1.00 0.90 C ATOM 458 O PHE A 58 -1.019 11.010 7.920 1.00 1.77 O ATOM 459 CB PHE A 58 0.210 11.636 5.531 1.00 0.69 C ATOM 460 CG PHE A 58 0.182 10.269 4.919 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.098 10.113 3.575 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.443 9.143 5.680 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.114 8.862 2.996 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.423 7.889 5.108 1.00 1.15 C ATOM 465 CZ PHE A 58 0.145 7.748 3.763 1.00 0.69 C ATOM 0 H PHE A 58 -0.208 13.975 6.294 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.811 12.002 4.960 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.729 12.319 4.858 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.785 11.602 6.457 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.307 10.983 2.970 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.664 9.248 6.732 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.329 8.756 1.943 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.625 7.017 5.712 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.131 6.766 3.313 1.00 0.69 H new ATOM 475 N SER A 59 -3.048 11.405 7.047 1.00 0.91 N ATOM 476 CA SER A 59 -3.800 10.692 8.062 1.00 1.02 C ATOM 477 C SER A 59 -5.282 10.793 7.734 1.00 1.10 C ATOM 478 O SER A 59 -5.993 9.784 7.691 1.00 1.84 O ATOM 479 CB SER A 59 -3.523 11.254 9.462 1.00 1.21 C ATOM 480 OG SER A 59 -4.053 10.404 10.464 1.00 1.84 O ATOM 0 H SER A 59 -3.635 11.854 6.344 1.00 0.91 H new ATOM 0 HA SER A 59 -3.489 9.647 8.065 1.00 1.02 H new ATOM 0 HB2 SER A 59 -2.449 11.367 9.607 1.00 1.21 H new ATOM 0 HB3 SER A 59 -3.963 12.247 9.553 1.00 1.21 H new ATOM 0 HG SER A 59 -3.863 10.782 11.348 1.00 1.84 H new ATOM 486 N GLY A 60 -5.742 12.019 7.489 1.00 0.91 N ATOM 487 CA GLY A 60 -7.103 12.222 7.037 1.00 0.87 C ATOM 488 C GLY A 60 -7.258 11.794 5.598 1.00 0.66 C ATOM 489 O GLY A 60 -8.338 11.388 5.170 1.00 0.73 O ATOM 0 H GLY A 60 -5.194 12.873 7.596 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -7.789 11.654 7.666 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -7.372 13.273 7.140 1.00 0.87 H new ATOM 493 N ILE A 61 -6.166 11.880 4.855 1.00 0.50 N ATOM 494 CA ILE A 61 -6.128 11.379 3.497 1.00 0.54 C ATOM 495 C ILE A 61 -5.214 10.164 3.453 1.00 0.73 C ATOM 496 O ILE A 61 -4.253 10.080 4.225 1.00 1.81 O ATOM 497 CB ILE A 61 -5.640 12.447 2.480 1.00 0.58 C ATOM 498 CG1 ILE A 61 -4.144 12.738 2.660 1.00 0.64 C ATOM 499 CG2 ILE A 61 -6.455 13.726 2.625 1.00 0.79 C ATOM 500 CD1 ILE A 61 -3.627 13.849 1.771 1.00 0.78 C ATOM 0 H ILE A 61 -5.291 12.295 5.175 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.144 11.111 3.206 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.786 12.051 1.475 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.957 13.002 3.701 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.579 11.829 2.455 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -6.102 14.466 1.906 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -7.507 13.510 2.437 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -6.340 14.118 3.635 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.563 13.997 1.955 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -3.781 13.580 0.726 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -4.165 14.771 1.991 1.00 0.78 H new ATOM 512 N PHE A 62 -5.535 9.229 2.573 1.00 0.58 N ATOM 513 CA PHE A 62 -4.753 8.006 2.404 1.00 0.50 C ATOM 514 C PHE A 62 -4.636 7.249 3.725 1.00 0.51 C ATOM 515 O PHE A 62 -3.541 6.852 4.133 1.00 0.76 O ATOM 516 CB PHE A 62 -3.350 8.328 1.879 1.00 0.50 C ATOM 517 CG PHE A 62 -3.335 9.281 0.724 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.312 9.232 -0.251 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.333 10.226 0.617 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.289 10.106 -1.311 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.307 11.104 -0.442 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.284 11.041 -1.404 1.00 0.59 C ATOM 0 H PHE A 62 -6.344 9.293 1.954 1.00 0.58 H new ATOM 0 HA PHE A 62 -5.273 7.380 1.679 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -2.757 8.748 2.691 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -2.864 7.400 1.577 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.102 8.499 -0.180 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.562 10.276 1.372 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.057 10.059 -2.069 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.520 11.840 -0.516 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.264 11.728 -2.237 1.00 0.59 H new ATOM 532 N THR A 63 -5.770 7.037 4.370 1.00 0.34 N ATOM 533 CA THR A 63 -5.807 6.451 5.700 1.00 0.38 C ATOM 534 C THR A 63 -5.183 5.054 5.731 1.00 0.30 C ATOM 535 O THR A 63 -4.467 4.704 6.672 1.00 0.38 O ATOM 536 CB THR A 63 -7.259 6.384 6.215 1.00 0.48 C ATOM 537 OG1 THR A 63 -7.802 7.710 6.301 1.00 0.78 O ATOM 538 CG2 THR A 63 -7.347 5.707 7.576 1.00 0.66 C ATOM 0 H THR A 63 -6.688 7.265 3.989 1.00 0.34 H new ATOM 0 HA THR A 63 -5.216 7.094 6.352 1.00 0.38 H new ATOM 0 HB THR A 63 -7.836 5.788 5.508 1.00 0.48 H new ATOM 0 HG1 THR A 63 -7.162 8.297 6.756 1.00 0.78 H new ATOM 0 HG21 THR A 63 -8.387 5.680 7.903 1.00 0.66 H new ATOM 0 HG22 THR A 63 -6.964 4.689 7.502 1.00 0.66 H new ATOM 0 HG23 THR A 63 -6.754 6.266 8.300 1.00 0.66 H new ATOM 546 N HIS A 64 -5.429 4.264 4.693 1.00 0.26 N ATOM 547 CA HIS A 64 -4.963 2.875 4.692 1.00 0.25 C ATOM 548 C HIS A 64 -3.575 2.734 4.094 1.00 0.25 C ATOM 549 O HIS A 64 -2.864 1.773 4.387 1.00 0.54 O ATOM 550 CB HIS A 64 -5.950 1.968 3.963 1.00 0.33 C ATOM 551 CG HIS A 64 -7.164 1.688 4.779 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.805 0.472 4.805 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.826 2.479 5.644 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.810 0.534 5.658 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.844 1.742 6.185 1.00 0.68 N ATOM 0 H HIS A 64 -5.937 4.549 3.856 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.903 2.563 5.735 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.245 2.436 3.024 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.459 1.028 3.711 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -7.546 -0.346 4.254 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -7.595 3.510 5.870 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -9.492 -0.272 5.887 1.00 0.83 H new ATOM 564 N LEU A 65 -3.182 3.701 3.285 1.00 0.32 N ATOM 565 CA LEU A 65 -1.894 3.649 2.606 1.00 0.22 C ATOM 566 C LEU A 65 -0.741 3.695 3.605 1.00 0.20 C ATOM 567 O LEU A 65 0.326 3.137 3.353 1.00 0.24 O ATOM 568 CB LEU A 65 -1.768 4.773 1.591 1.00 0.29 C ATOM 569 CG LEU A 65 -2.657 4.629 0.353 1.00 0.36 C ATOM 570 CD1 LEU A 65 -4.086 4.990 0.650 1.00 0.84 C ATOM 571 CD2 LEU A 65 -2.135 5.467 -0.765 1.00 0.99 C ATOM 0 H LEU A 65 -3.734 4.534 3.080 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.840 2.700 2.073 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.007 5.716 2.084 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.729 4.836 1.268 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.634 3.581 0.053 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -4.685 4.875 -0.253 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -4.473 4.333 1.429 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -4.137 6.024 0.990 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -2.779 5.352 -1.637 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -2.121 6.513 -0.459 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -1.123 5.149 -1.017 1.00 0.99 H new ATOM 583 N GLU A 66 -0.963 4.365 4.734 1.00 0.30 N ATOM 584 CA GLU A 66 0.003 4.386 5.832 1.00 0.40 C ATOM 585 C GLU A 66 0.402 2.969 6.241 1.00 0.38 C ATOM 586 O GLU A 66 1.574 2.593 6.158 1.00 0.38 O ATOM 587 CB GLU A 66 -0.595 5.120 7.034 1.00 0.53 C ATOM 588 CG GLU A 66 0.354 5.224 8.214 1.00 0.88 C ATOM 589 CD GLU A 66 -0.308 5.821 9.434 1.00 1.12 C ATOM 590 OE1 GLU A 66 -0.193 7.047 9.637 1.00 1.75 O ATOM 591 OE2 GLU A 66 -0.958 5.065 10.193 1.00 1.75 O ATOM 0 H GLU A 66 -1.810 4.905 4.914 1.00 0.30 H new ATOM 0 HA GLU A 66 0.896 4.908 5.490 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.891 6.123 6.727 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.501 4.603 7.351 1.00 0.53 H new ATOM 0 HG2 GLU A 66 0.735 4.233 8.459 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.212 5.835 7.934 1.00 0.88 H new ATOM 598 N ARG A 67 -0.581 2.181 6.665 1.00 0.42 N ATOM 599 CA ARG A 67 -0.328 0.807 7.081 1.00 0.44 C ATOM 600 C ARG A 67 0.175 -0.027 5.911 1.00 0.39 C ATOM 601 O ARG A 67 0.935 -0.974 6.094 1.00 0.40 O ATOM 602 CB ARG A 67 -1.589 0.179 7.685 1.00 0.54 C ATOM 603 CG ARG A 67 -1.462 -1.318 7.945 1.00 0.74 C ATOM 604 CD ARG A 67 -2.496 -1.808 8.945 1.00 0.86 C ATOM 605 NE ARG A 67 -3.865 -1.460 8.563 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.945 -1.878 9.222 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.819 -2.688 10.267 1.00 1.71 N ATOM 608 NH2 ARG A 67 -6.149 -1.480 8.840 1.00 2.07 N ATOM 0 H ARG A 67 -1.557 2.470 6.729 1.00 0.42 H new ATOM 0 HA ARG A 67 0.446 0.824 7.848 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.822 0.683 8.623 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.429 0.352 7.012 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -1.578 -1.861 7.007 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.462 -1.538 8.319 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.415 -2.891 9.043 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -2.278 -1.382 9.924 1.00 0.86 H new ATOM 0 HE ARG A 67 -4.000 -0.864 7.746 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -3.893 -2.992 10.568 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.648 -3.006 10.769 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -6.249 -0.854 8.041 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -6.976 -1.800 9.344 1.00 2.07 H new ATOM 622 N LEU A 68 -0.233 0.344 4.706 1.00 0.35 N ATOM 623 CA LEU A 68 0.204 -0.357 3.510 1.00 0.34 C ATOM 624 C LEU A 68 1.710 -0.246 3.319 1.00 0.31 C ATOM 625 O LEU A 68 2.335 -1.155 2.795 1.00 0.40 O ATOM 626 CB LEU A 68 -0.532 0.161 2.279 1.00 0.33 C ATOM 627 CG LEU A 68 -1.981 -0.293 2.151 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.498 0.011 0.761 1.00 0.37 C ATOM 629 CD2 LEU A 68 -2.114 -1.776 2.463 1.00 0.61 C ATOM 0 H LEU A 68 -0.865 1.125 4.532 1.00 0.35 H new ATOM 0 HA LEU A 68 -0.039 -1.412 3.640 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.509 1.251 2.294 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.012 -0.157 1.390 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.582 0.256 2.876 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.534 -0.317 0.678 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.441 1.084 0.578 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.891 -0.515 0.024 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -3.157 -2.076 2.365 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.504 -2.351 1.766 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.776 -1.965 3.482 1.00 0.61 H new ATOM 641 N LEU A 69 2.297 0.844 3.785 1.00 0.27 N ATOM 642 CA LEU A 69 3.754 0.970 3.728 1.00 0.24 C ATOM 643 C LEU A 69 4.378 0.172 4.863 1.00 0.25 C ATOM 644 O LEU A 69 5.372 -0.549 4.686 1.00 0.26 O ATOM 645 CB LEU A 69 4.230 2.427 3.800 1.00 0.25 C ATOM 646 CG LEU A 69 4.195 3.212 2.483 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.482 3.960 2.269 1.00 0.25 C ATOM 648 CD2 LEU A 69 3.930 2.305 1.305 1.00 0.30 C ATOM 0 H LEU A 69 1.808 1.638 4.198 1.00 0.27 H new ATOM 0 HA LEU A 69 4.073 0.577 2.763 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.615 2.953 4.530 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.252 2.436 4.178 1.00 0.25 H new ATOM 0 HG LEU A 69 3.377 3.928 2.557 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.432 4.509 1.328 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.637 4.660 3.090 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.312 3.254 2.233 1.00 0.25 H new ATOM 0 HD21 LEU A 69 3.912 2.895 0.389 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.718 1.555 1.239 1.00 0.30 H new ATOM 0 HD23 LEU A 69 2.968 1.809 1.437 1.00 0.30 H new ATOM 660 N ASP A 70 3.738 0.231 6.016 1.00 0.29 N ATOM 661 CA ASP A 70 4.279 -0.415 7.194 1.00 0.35 C ATOM 662 C ASP A 70 4.265 -1.919 6.989 1.00 0.38 C ATOM 663 O ASP A 70 5.118 -2.635 7.505 1.00 0.43 O ATOM 664 CB ASP A 70 3.487 -0.019 8.443 1.00 0.43 C ATOM 665 CG ASP A 70 4.025 -0.660 9.709 1.00 0.91 C ATOM 666 OD1 ASP A 70 5.178 -0.362 10.086 1.00 1.62 O ATOM 667 OD2 ASP A 70 3.290 -1.446 10.345 1.00 1.56 O ATOM 0 H ASP A 70 2.852 0.715 6.160 1.00 0.29 H new ATOM 0 HA ASP A 70 5.308 -0.088 7.346 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.509 1.065 8.553 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.443 -0.305 8.312 1.00 0.43 H new ATOM 672 N GLU A 71 3.300 -2.391 6.204 1.00 0.42 N ATOM 673 CA GLU A 71 3.215 -3.790 5.834 1.00 0.50 C ATOM 674 C GLU A 71 4.067 -4.123 4.614 1.00 0.45 C ATOM 675 O GLU A 71 4.852 -5.063 4.656 1.00 0.48 O ATOM 676 CB GLU A 71 1.768 -4.154 5.543 1.00 0.61 C ATOM 677 CG GLU A 71 1.018 -4.663 6.757 1.00 0.94 C ATOM 678 CD GLU A 71 1.811 -5.700 7.526 1.00 1.47 C ATOM 679 OE1 GLU A 71 2.370 -5.352 8.588 1.00 2.14 O ATOM 680 OE2 GLU A 71 1.897 -6.852 7.065 1.00 2.18 O ATOM 0 H GLU A 71 2.559 -1.811 5.810 1.00 0.42 H new ATOM 0 HA GLU A 71 3.597 -4.369 6.675 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.253 -3.278 5.149 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.743 -4.916 4.764 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.784 -3.826 7.415 1.00 0.94 H new ATOM 0 HG3 GLU A 71 0.069 -5.095 6.441 1.00 0.94 H new ATOM 687 N GLU A 72 3.909 -3.354 3.537 1.00 0.43 N ATOM 688 CA GLU A 72 4.628 -3.629 2.284 1.00 0.45 C ATOM 689 C GLU A 72 6.127 -3.501 2.501 1.00 0.42 C ATOM 690 O GLU A 72 6.898 -4.385 2.146 1.00 0.47 O ATOM 691 CB GLU A 72 4.197 -2.672 1.168 1.00 0.46 C ATOM 692 CG GLU A 72 4.982 -2.852 -0.127 1.00 0.57 C ATOM 693 CD GLU A 72 4.632 -4.129 -0.870 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.467 -4.072 -2.105 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.521 -5.189 -0.220 1.00 1.33 O ATOM 0 H GLU A 72 3.295 -2.540 3.502 1.00 0.43 H new ATOM 0 HA GLU A 72 4.383 -4.647 1.981 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.136 -2.819 0.964 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.315 -1.646 1.515 1.00 0.46 H new ATOM 0 HG2 GLU A 72 4.795 -1.998 -0.778 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.048 -2.853 0.100 1.00 0.57 H new ATOM 702 N ILE A 73 6.518 -2.413 3.141 1.00 0.35 N ATOM 703 CA ILE A 73 7.924 -2.144 3.397 1.00 0.34 C ATOM 704 C ILE A 73 8.491 -3.237 4.275 1.00 0.40 C ATOM 705 O ILE A 73 9.609 -3.706 4.068 1.00 0.45 O ATOM 706 CB ILE A 73 8.132 -0.767 4.064 1.00 0.29 C ATOM 707 CG1 ILE A 73 7.983 0.334 3.022 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.484 -0.672 4.762 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.176 1.723 3.580 1.00 0.27 C ATOM 0 H ILE A 73 5.881 -1.699 3.494 1.00 0.35 H new ATOM 0 HA ILE A 73 8.447 -2.126 2.441 1.00 0.34 H new ATOM 0 HB ILE A 73 7.369 -0.643 4.832 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.707 0.168 2.224 1.00 0.27 H new ATOM 0 HG13 ILE A 73 6.992 0.266 2.573 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.590 0.312 5.218 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.549 -1.438 5.534 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.281 -0.822 4.034 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.056 2.456 2.782 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.435 1.909 4.358 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.177 1.809 4.004 1.00 0.27 H new ATOM 721 N SER A 74 7.690 -3.665 5.233 1.00 0.41 N ATOM 722 CA SER A 74 8.098 -4.747 6.122 1.00 0.49 C ATOM 723 C SER A 74 8.247 -6.066 5.349 1.00 0.54 C ATOM 724 O SER A 74 9.281 -6.727 5.426 1.00 0.60 O ATOM 725 CB SER A 74 7.089 -4.916 7.259 1.00 0.52 C ATOM 726 OG SER A 74 7.546 -5.850 8.225 1.00 1.34 O ATOM 0 H SER A 74 6.761 -3.287 5.418 1.00 0.41 H new ATOM 0 HA SER A 74 9.067 -4.485 6.547 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.914 -3.952 7.737 1.00 0.52 H new ATOM 0 HB3 SER A 74 6.134 -5.249 6.853 1.00 0.52 H new ATOM 0 HG SER A 74 6.880 -5.934 8.939 1.00 1.34 H new ATOM 732 N ARG A 75 7.239 -6.400 4.552 1.00 0.55 N ATOM 733 CA ARG A 75 7.194 -7.710 3.896 1.00 0.63 C ATOM 734 C ARG A 75 8.247 -7.793 2.801 1.00 0.65 C ATOM 735 O ARG A 75 8.855 -8.840 2.603 1.00 0.72 O ATOM 736 CB ARG A 75 5.806 -8.035 3.328 1.00 0.74 C ATOM 737 CG ARG A 75 5.329 -7.065 2.268 1.00 0.76 C ATOM 738 CD ARG A 75 4.021 -7.513 1.638 1.00 1.25 C ATOM 739 NE ARG A 75 4.183 -8.728 0.837 1.00 1.84 N ATOM 740 CZ ARG A 75 4.227 -8.740 -0.498 1.00 2.73 C ATOM 741 NH1 ARG A 75 4.218 -7.603 -1.185 1.00 3.05 N ATOM 742 NH2 ARG A 75 4.315 -9.895 -1.145 1.00 3.67 N ATOM 0 H ARG A 75 6.447 -5.792 4.343 1.00 0.55 H new ATOM 0 HA ARG A 75 7.410 -8.456 4.660 1.00 0.63 H new ATOM 0 HB2 ARG A 75 5.825 -9.039 2.904 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.085 -8.047 4.145 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.199 -6.078 2.711 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.091 -6.969 1.494 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.284 -7.691 2.421 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.630 -6.714 1.008 1.00 1.25 H new ATOM 0 HE ARG A 75 4.267 -9.618 1.328 1.00 1.84 H new ATOM 0 HH11 ARG A 75 4.177 -6.710 -0.693 1.00 3.05 H new ATOM 0 HH12 ARG A 75 4.252 -7.623 -2.204 1.00 3.05 H new ATOM 0 HH21 ARG A 75 4.349 -10.771 -0.623 1.00 3.67 H new ATOM 0 HH22 ARG A 75 4.349 -9.907 -2.164 1.00 3.67 H new ATOM 756 N VAL A 76 8.469 -6.677 2.113 1.00 0.62 N ATOM 757 CA VAL A 76 9.497 -6.589 1.083 1.00 0.67 C ATOM 758 C VAL A 76 10.875 -6.926 1.655 1.00 0.71 C ATOM 759 O VAL A 76 11.731 -7.453 0.952 1.00 0.84 O ATOM 760 CB VAL A 76 9.514 -5.178 0.434 1.00 0.61 C ATOM 761 CG1 VAL A 76 10.758 -4.958 -0.416 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.271 -4.968 -0.416 1.00 0.58 C ATOM 0 H VAL A 76 7.944 -5.813 2.253 1.00 0.62 H new ATOM 0 HA VAL A 76 9.256 -7.320 0.311 1.00 0.67 H new ATOM 0 HB VAL A 76 9.527 -4.451 1.246 1.00 0.61 H new ATOM 0 HG11 VAL A 76 10.729 -3.959 -0.851 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.647 -5.057 0.207 1.00 0.64 H new ATOM 0 HG13 VAL A 76 10.790 -5.700 -1.214 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.300 -3.974 -0.863 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.238 -5.720 -1.205 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.383 -5.059 0.209 1.00 0.58 H new ATOM 772 N ARG A 77 11.058 -6.679 2.948 1.00 0.65 N ATOM 773 CA ARG A 77 12.347 -6.912 3.594 1.00 0.73 C ATOM 774 C ARG A 77 12.615 -8.407 3.768 1.00 0.86 C ATOM 775 O ARG A 77 13.760 -8.850 3.697 1.00 0.98 O ATOM 776 CB ARG A 77 12.406 -6.200 4.949 1.00 0.75 C ATOM 777 CG ARG A 77 12.343 -4.687 4.835 1.00 0.81 C ATOM 778 CD ARG A 77 12.276 -4.017 6.200 1.00 0.84 C ATOM 779 NE ARG A 77 13.495 -4.226 6.979 1.00 1.39 N ATOM 780 CZ ARG A 77 13.701 -3.715 8.192 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.764 -2.984 8.778 1.00 1.45 N ATOM 782 NH2 ARG A 77 14.846 -3.940 8.820 1.00 2.73 N ATOM 0 H ARG A 77 10.333 -6.319 3.569 1.00 0.65 H new ATOM 0 HA ARG A 77 13.123 -6.502 2.948 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.579 -6.546 5.570 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.327 -6.481 5.460 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.220 -4.327 4.296 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.469 -4.403 4.248 1.00 0.81 H new ATOM 0 HD2 ARG A 77 12.109 -2.948 6.070 1.00 0.84 H new ATOM 0 HD3 ARG A 77 11.422 -4.408 6.753 1.00 0.84 H new ATOM 0 HE ARG A 77 14.233 -4.798 6.569 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.880 -2.810 8.300 1.00 1.45 H new ATOM 0 HH12 ARG A 77 12.927 -2.595 9.707 1.00 1.45 H new ATOM 0 HH21 ARG A 77 15.570 -4.504 8.375 1.00 2.73 H new ATOM 0 HH22 ARG A 77 15.004 -3.549 9.749 1.00 2.73 H new ATOM 796 N LYS A 78 11.561 -9.189 3.980 1.00 0.90 N ATOM 797 CA LYS A 78 11.709 -10.629 4.145 1.00 1.08 C ATOM 798 C LYS A 78 11.582 -11.329 2.799 1.00 1.11 C ATOM 799 O LYS A 78 12.402 -12.173 2.436 1.00 1.32 O ATOM 800 CB LYS A 78 10.637 -11.179 5.090 1.00 1.13 C ATOM 801 CG LYS A 78 10.659 -10.590 6.488 1.00 1.35 C ATOM 802 CD LYS A 78 9.784 -9.356 6.556 1.00 2.01 C ATOM 803 CE LYS A 78 9.895 -8.646 7.897 1.00 2.67 C ATOM 804 NZ LYS A 78 9.268 -9.427 8.995 1.00 3.44 N ATOM 0 H LYS A 78 10.601 -8.851 4.041 1.00 0.90 H new ATOM 0 HA LYS A 78 12.695 -10.818 4.569 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.657 -10.997 4.650 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.758 -12.260 5.164 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.310 -11.331 7.207 1.00 1.35 H new ATOM 0 HG3 LYS A 78 11.682 -10.334 6.765 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.066 -8.669 5.758 1.00 2.01 H new ATOM 0 HD3 LYS A 78 8.746 -9.639 6.381 1.00 2.01 H new ATOM 0 HE2 LYS A 78 10.946 -8.473 8.130 1.00 2.67 H new ATOM 0 HE3 LYS A 78 9.418 -7.668 7.830 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 9.366 -8.907 9.891 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 8.259 -9.571 8.787 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 9.739 -10.350 9.077 1.00 3.44 H new ATOM 999 N THR B 38 -11.273 -7.268 4.908 1.00 0.97 N ATOM 1000 CA THR B 38 -12.681 -7.269 5.268 1.00 0.84 C ATOM 1001 C THR B 38 -13.410 -6.162 4.511 1.00 0.72 C ATOM 1002 O THR B 38 -12.761 -5.244 4.006 1.00 0.66 O ATOM 1003 CB THR B 38 -12.864 -7.067 6.786 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.107 -5.929 7.227 1.00 0.85 O ATOM 1005 CG2 THR B 38 -12.427 -8.305 7.555 1.00 0.95 C ATOM 0 HA THR B 38 -13.102 -8.237 4.996 1.00 0.84 H new ATOM 0 HB THR B 38 -13.922 -6.894 6.981 1.00 0.79 H new ATOM 0 HG1 THR B 38 -12.230 -5.808 8.192 1.00 0.85 H new ATOM 0 HG21 THR B 38 -12.566 -8.138 8.623 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.027 -9.159 7.241 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.375 -8.506 7.353 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.750 -6.231 4.389 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.523 -5.204 3.679 1.00 0.70 C ATOM 1015 C PRO B 39 -15.195 -3.795 4.153 1.00 0.62 C ATOM 1016 O PRO B 39 -14.906 -2.918 3.345 1.00 0.56 O ATOM 1017 CB PRO B 39 -16.970 -5.552 4.008 1.00 0.78 C ATOM 1018 CG PRO B 39 -16.951 -7.019 4.266 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.615 -7.313 4.897 1.00 0.83 C ATOM 0 HA PRO B 39 -15.304 -5.202 2.611 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.323 -5.000 4.879 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.636 -5.303 3.182 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -17.767 -7.309 4.928 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -17.077 -7.580 3.340 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -15.674 -7.303 5.985 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.242 -8.295 4.607 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.216 -3.590 5.466 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.908 -2.284 6.049 1.00 0.64 C ATOM 1029 C ASP B 40 -13.513 -1.826 5.640 1.00 0.57 C ATOM 1030 O ASP B 40 -13.299 -0.659 5.304 1.00 0.57 O ATOM 1031 CB ASP B 40 -15.004 -2.337 7.574 1.00 0.72 C ATOM 1032 CG ASP B 40 -16.417 -2.575 8.059 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -17.132 -1.590 8.333 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -16.821 -3.749 8.173 1.00 2.16 O ATOM 0 H ASP B 40 -15.443 -4.312 6.150 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.640 -1.569 5.672 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.357 -3.130 7.948 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -14.633 -1.400 7.991 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.570 -2.760 5.664 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.204 -2.491 5.232 1.00 0.54 C ATOM 1041 C TYR B 41 -11.191 -2.037 3.772 1.00 0.46 C ATOM 1042 O TYR B 41 -10.396 -1.181 3.384 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.337 -3.746 5.404 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.855 -3.519 5.195 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.287 -3.579 3.927 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.021 -3.250 6.272 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -6.931 -3.380 3.741 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.667 -3.048 6.094 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.126 -3.117 4.828 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.778 -2.916 4.651 1.00 0.82 O ATOM 0 H TYR B 41 -12.728 -3.717 5.980 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.792 -1.693 5.850 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.493 -4.145 6.406 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.678 -4.507 4.702 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -8.915 -3.784 3.073 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.439 -3.198 7.267 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.506 -3.430 2.750 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -6.034 -2.837 6.943 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.466 -3.443 3.886 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.105 -2.585 2.980 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.157 -2.296 1.554 1.00 0.39 C ATOM 1062 C LEU B 42 -12.909 -0.999 1.276 1.00 0.36 C ATOM 1063 O LEU B 42 -12.575 -0.274 0.344 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.819 -3.452 0.798 1.00 0.43 C ATOM 1065 CG LEU B 42 -12.978 -3.240 -0.713 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.627 -3.016 -1.370 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.686 -4.426 -1.348 1.00 0.48 C ATOM 0 H LEU B 42 -12.822 -3.234 3.304 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.131 -2.178 1.204 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.232 -4.355 0.962 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.804 -3.630 1.229 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.587 -2.350 -0.869 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.763 -2.868 -2.441 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.155 -2.133 -0.939 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -10.992 -3.886 -1.202 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -13.789 -4.257 -2.420 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.103 -5.331 -1.178 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.674 -4.541 -0.902 1.00 0.48 H new ATOM 1079 N MET B 43 -13.897 -0.681 2.106 1.00 0.39 N ATOM 1080 CA MET B 43 -14.752 0.472 1.850 1.00 0.40 C ATOM 1081 C MET B 43 -13.962 1.745 2.079 1.00 0.36 C ATOM 1082 O MET B 43 -14.090 2.729 1.347 1.00 0.36 O ATOM 1083 CB MET B 43 -15.989 0.468 2.755 1.00 0.47 C ATOM 1084 CG MET B 43 -16.891 -0.751 2.606 1.00 0.63 C ATOM 1085 SD MET B 43 -17.455 -1.023 0.914 1.00 0.85 S ATOM 1086 CE MET B 43 -16.340 -2.326 0.384 1.00 0.54 C ATOM 0 H MET B 43 -14.124 -1.200 2.954 1.00 0.39 H new ATOM 0 HA MET B 43 -15.091 0.419 0.815 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.662 0.535 3.793 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.576 1.363 2.547 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.354 -1.635 2.948 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.758 -0.634 3.256 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.723 -2.784 -0.528 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.353 -1.905 0.191 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.265 -3.081 1.166 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.116 1.692 3.090 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.260 2.813 3.431 1.00 0.35 C ATOM 1098 C GLN B 44 -11.212 3.001 2.343 1.00 0.30 C ATOM 1099 O GLN B 44 -10.868 4.125 1.983 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.598 2.577 4.785 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.587 2.486 5.937 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.928 2.067 7.236 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -11.447 2.898 8.002 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -11.905 0.770 7.492 1.00 0.75 N ATOM 0 H GLN B 44 -13.003 0.878 3.694 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.861 3.720 3.501 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.018 1.655 4.741 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.895 3.387 4.983 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.070 3.453 6.074 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.370 1.771 5.684 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.316 0.112 6.830 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.477 0.427 8.352 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.742 1.883 1.796 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.772 1.900 0.708 1.00 0.25 C ATOM 1115 C LEU B 45 -10.363 2.518 -0.551 1.00 0.23 C ATOM 1116 O LEU B 45 -9.653 3.154 -1.331 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.297 0.484 0.388 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.089 -0.005 1.180 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.788 -1.453 0.831 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -6.879 0.865 0.886 1.00 0.31 C ATOM 0 H LEU B 45 -11.021 0.948 2.092 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.928 2.505 1.038 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.124 -0.204 0.561 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.057 0.433 -0.674 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.318 0.062 2.244 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -6.924 -1.793 1.402 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.651 -2.073 1.075 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.573 -1.533 -0.235 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.024 0.505 1.458 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.648 0.820 -0.178 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.095 1.896 1.167 1.00 0.31 H new ATOM 1132 N MET B 46 -11.667 2.340 -0.738 1.00 0.26 N ATOM 1133 CA MET B 46 -12.335 2.854 -1.923 1.00 0.27 C ATOM 1134 C MET B 46 -12.259 4.366 -1.954 1.00 0.26 C ATOM 1135 O MET B 46 -12.246 4.975 -3.022 1.00 0.40 O ATOM 1136 CB MET B 46 -13.802 2.431 -1.983 1.00 0.33 C ATOM 1137 CG MET B 46 -14.022 0.932 -2.072 1.00 0.38 C ATOM 1138 SD MET B 46 -15.732 0.511 -2.465 1.00 0.49 S ATOM 1139 CE MET B 46 -16.614 1.552 -1.302 1.00 0.49 C ATOM 0 H MET B 46 -12.277 1.846 -0.087 1.00 0.26 H new ATOM 0 HA MET B 46 -11.820 2.433 -2.786 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.312 2.808 -1.097 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.269 2.906 -2.846 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.364 0.515 -2.834 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.745 0.470 -1.124 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.578 1.100 -1.068 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.029 1.653 -0.388 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.772 2.536 -1.742 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.206 4.981 -0.781 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.124 6.427 -0.692 1.00 0.30 C ATOM 1151 C ASN B 47 -10.688 6.893 -0.869 1.00 0.26 C ATOM 1152 O ASN B 47 -10.445 7.979 -1.391 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.665 6.898 0.657 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.552 8.401 0.852 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -11.577 8.898 1.417 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -13.548 9.135 0.383 1.00 1.43 N ATOM 0 H ASN B 47 -12.218 4.500 0.119 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.728 6.859 -1.490 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.711 6.604 0.745 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.123 6.392 1.456 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -13.525 10.150 0.484 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -14.339 8.686 -0.079 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.735 6.052 -0.481 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.325 6.419 -0.553 1.00 0.25 C ATOM 1165 C ASP B 48 -7.888 6.484 -2.017 1.00 0.25 C ATOM 1166 O ASP B 48 -7.301 7.470 -2.465 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.439 5.407 0.194 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.655 5.353 1.702 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -7.849 4.241 2.236 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.608 6.409 2.363 1.00 0.74 O ATOM 0 H ASP B 48 -9.912 5.116 -0.115 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.207 7.393 -0.078 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.619 4.415 -0.220 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.394 5.649 0.000 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.214 5.423 -2.756 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.876 5.311 -4.175 1.00 0.27 C ATOM 1177 C LYS B 49 -8.578 6.396 -4.992 1.00 0.33 C ATOM 1178 O LYS B 49 -8.079 6.834 -6.026 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.274 3.922 -4.693 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.333 3.351 -5.751 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.427 4.095 -7.074 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.707 3.759 -7.828 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.801 2.310 -8.164 1.00 2.10 N ATOM 0 H LYS B 49 -8.720 4.617 -2.388 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.800 5.446 -4.286 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.316 3.232 -3.851 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.280 3.977 -5.110 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.308 3.397 -5.384 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.567 2.299 -5.912 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.386 5.169 -6.890 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.565 3.845 -7.693 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -9.568 4.046 -7.224 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -8.751 4.346 -8.745 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -9.479 2.177 -8.941 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -7.866 1.960 -8.457 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -9.123 1.780 -7.329 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.715 6.859 -4.506 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.475 7.873 -5.220 1.00 0.37 C ATOM 1199 C LYS B 50 -9.938 9.252 -4.880 1.00 0.39 C ATOM 1200 O LYS B 50 -9.814 10.114 -5.749 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.965 7.782 -4.886 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.774 6.998 -5.910 1.00 1.14 C ATOM 1203 CD LYS B 50 -12.264 5.576 -6.081 1.00 1.67 C ATOM 1204 CE LYS B 50 -13.057 4.822 -7.136 1.00 2.35 C ATOM 1205 NZ LYS B 50 -14.497 4.704 -6.781 1.00 3.05 N ATOM 0 H LYS B 50 -10.132 6.553 -3.627 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.363 7.699 -6.290 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.081 7.314 -3.908 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.373 8.790 -4.808 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -13.819 6.972 -5.602 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.737 7.513 -6.870 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -11.211 5.597 -6.362 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -12.329 5.048 -5.129 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -12.962 5.333 -8.094 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -12.633 3.826 -7.263 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -14.956 4.018 -7.414 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -14.586 4.380 -5.797 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -14.957 5.631 -6.884 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.605 9.442 -3.610 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.016 10.685 -3.144 1.00 0.44 C ATOM 1221 C LEU B 51 -7.706 10.958 -3.878 1.00 0.43 C ATOM 1222 O LEU B 51 -7.471 12.070 -4.344 1.00 0.47 O ATOM 1223 CB LEU B 51 -8.776 10.615 -1.633 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.188 11.858 -0.838 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.033 11.608 0.651 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -8.369 13.069 -1.254 1.00 1.22 C ATOM 0 H LEU B 51 -9.736 8.742 -2.880 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.706 11.503 -3.353 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -9.318 9.756 -1.237 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -7.716 10.430 -1.460 1.00 0.48 H new ATOM 0 HG LEU B 51 -10.236 12.065 -1.055 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.330 12.500 1.203 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -9.666 10.771 0.947 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -7.992 11.373 0.874 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -8.682 13.937 -0.674 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -7.312 12.873 -1.072 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -8.524 13.266 -2.315 1.00 1.22 H new ATOM 1238 N MET B 52 -6.869 9.929 -4.020 1.00 0.39 N ATOM 1239 CA MET B 52 -5.576 10.090 -4.676 1.00 0.37 C ATOM 1240 C MET B 52 -5.758 10.348 -6.166 1.00 0.41 C ATOM 1241 O MET B 52 -4.967 11.055 -6.786 1.00 0.47 O ATOM 1242 CB MET B 52 -4.699 8.848 -4.457 1.00 0.33 C ATOM 1243 CG MET B 52 -5.261 7.567 -5.058 1.00 1.29 C ATOM 1244 SD MET B 52 -4.262 6.110 -4.678 1.00 1.25 S ATOM 1245 CE MET B 52 -4.352 6.085 -2.889 1.00 0.32 C ATOM 0 H MET B 52 -7.064 8.983 -3.691 1.00 0.39 H new ATOM 0 HA MET B 52 -5.076 10.951 -4.232 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.714 9.034 -4.885 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.559 8.701 -3.386 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.274 7.413 -4.687 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.331 7.680 -6.140 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.952 5.141 -2.518 1.00 0.32 H new ATOM 0 HE2 MET B 52 -3.768 6.911 -2.484 1.00 0.32 H new ATOM 0 HE3 MET B 52 -5.391 6.187 -2.575 1.00 0.32 H new ATOM 1255 N SER B 53 -6.822 9.785 -6.727 1.00 0.41 N ATOM 1256 CA SER B 53 -7.142 9.960 -8.136 1.00 0.47 C ATOM 1257 C SER B 53 -7.547 11.407 -8.424 1.00 0.51 C ATOM 1258 O SER B 53 -7.481 11.870 -9.565 1.00 0.62 O ATOM 1259 CB SER B 53 -8.270 8.996 -8.526 1.00 0.52 C ATOM 1260 OG SER B 53 -8.571 9.065 -9.909 1.00 1.15 O ATOM 0 H SER B 53 -7.483 9.197 -6.220 1.00 0.41 H new ATOM 0 HA SER B 53 -6.257 9.736 -8.732 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.982 7.977 -8.268 1.00 0.52 H new ATOM 0 HB3 SER B 53 -9.164 9.231 -7.948 1.00 0.52 H new ATOM 0 HG SER B 53 -9.293 8.436 -10.119 1.00 1.15 H new ATOM 1266 N SER B 54 -7.951 12.122 -7.381 1.00 0.49 N ATOM 1267 CA SER B 54 -8.362 13.510 -7.518 1.00 0.54 C ATOM 1268 C SER B 54 -7.227 14.456 -7.117 1.00 0.53 C ATOM 1269 O SER B 54 -7.371 15.677 -7.182 1.00 0.53 O ATOM 1270 CB SER B 54 -9.602 13.769 -6.657 1.00 0.60 C ATOM 1271 OG SER B 54 -10.114 15.075 -6.865 1.00 1.30 O ATOM 0 H SER B 54 -8.002 11.760 -6.429 1.00 0.49 H new ATOM 0 HA SER B 54 -8.606 13.701 -8.563 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.371 13.033 -6.893 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.349 13.639 -5.605 1.00 0.60 H new ATOM 0 HG SER B 54 -9.391 15.667 -7.160 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.101 13.886 -6.708 1.00 0.55 N ATOM 1278 CA LEU B 55 -4.960 14.679 -6.267 1.00 0.57 C ATOM 1279 C LEU B 55 -3.826 14.626 -7.288 1.00 0.65 C ATOM 1280 O LEU B 55 -3.151 13.608 -7.418 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.463 14.174 -4.908 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.443 14.355 -3.745 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.923 13.657 -2.500 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.682 15.830 -3.469 1.00 0.65 C ATOM 0 H LEU B 55 -5.953 12.877 -6.672 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.284 15.715 -6.171 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.223 13.115 -4.998 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.535 14.691 -4.664 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.394 13.902 -4.024 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.631 13.795 -1.683 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.805 12.592 -2.702 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.959 14.082 -2.221 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.381 15.936 -2.639 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -4.738 16.310 -3.212 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.099 16.304 -4.358 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.597 15.732 -8.020 1.00 0.81 N ATOM 1297 CA PRO B 56 -2.522 15.822 -9.022 1.00 0.95 C ATOM 1298 C PRO B 56 -1.128 15.765 -8.396 1.00 0.88 C ATOM 1299 O PRO B 56 -0.123 15.614 -9.093 1.00 1.19 O ATOM 1300 CB PRO B 56 -2.747 17.191 -9.682 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.129 17.595 -9.292 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.377 16.975 -7.950 1.00 0.98 C ATOM 0 HA PRO B 56 -2.559 14.985 -9.719 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.013 17.919 -9.337 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -2.647 17.126 -10.766 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -4.219 18.680 -9.243 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.858 17.247 -10.023 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.040 17.619 -7.138 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.436 16.780 -7.784 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.079 15.881 -7.077 1.00 0.63 N ATOM 1311 CA ASN B 57 0.180 15.811 -6.344 1.00 0.62 C ATOM 1312 C ASN B 57 0.547 14.358 -6.069 1.00 0.57 C ATOM 1313 O ASN B 57 1.701 14.033 -5.780 1.00 0.59 O ATOM 1314 CB ASN B 57 0.086 16.584 -5.022 1.00 0.68 C ATOM 1315 CG ASN B 57 -1.049 16.101 -4.138 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -0.900 15.148 -3.377 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -2.188 16.769 -4.216 1.00 1.73 N ATOM 0 H ASN B 57 -1.900 16.025 -6.489 1.00 0.63 H new ATOM 0 HA ASN B 57 0.957 16.268 -6.957 1.00 0.62 H new ATOM 0 HB2 ASN B 57 1.028 16.487 -4.482 1.00 0.68 H new ATOM 0 HB3 ASN B 57 -0.051 17.644 -5.235 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -2.979 16.498 -3.632 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -2.275 17.555 -4.860 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.449 13.488 -6.171 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.256 12.076 -5.914 1.00 0.70 C ATOM 1326 C PHE B 58 0.392 11.395 -7.103 1.00 0.90 C ATOM 1327 O PHE B 58 -0.279 10.834 -7.974 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.570 11.394 -5.604 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.399 10.055 -4.953 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.107 9.969 -3.607 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.536 8.886 -5.681 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.959 8.742 -2.992 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.384 7.657 -5.073 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.097 7.587 -3.726 1.00 0.69 C ATOM 0 H PHE B 58 -1.402 13.742 -6.432 1.00 0.62 H new ATOM 0 HA PHE B 58 0.401 11.990 -5.048 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.160 12.036 -4.950 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.136 11.273 -6.528 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.993 10.873 -3.027 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -1.764 8.936 -6.735 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.735 8.689 -1.937 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.490 6.751 -5.651 1.00 1.15 H new ATOM 0 HZ PHE B 58 -0.981 6.626 -3.248 1.00 0.69 H new ATOM 1344 N SER B 59 1.694 11.477 -7.122 1.00 0.91 N ATOM 1345 CA SER B 59 2.517 10.820 -8.119 1.00 1.02 C ATOM 1346 C SER B 59 3.980 11.086 -7.793 1.00 1.10 C ATOM 1347 O SER B 59 4.794 10.161 -7.723 1.00 1.84 O ATOM 1348 CB SER B 59 2.185 11.308 -9.536 1.00 1.21 C ATOM 1349 OG SER B 59 2.791 10.482 -10.517 1.00 1.84 O ATOM 0 H SER B 59 2.229 12.010 -6.436 1.00 0.91 H new ATOM 0 HA SER B 59 2.316 9.749 -8.095 1.00 1.02 H new ATOM 0 HB2 SER B 59 1.104 11.313 -9.678 1.00 1.21 H new ATOM 0 HB3 SER B 59 2.528 12.335 -9.659 1.00 1.21 H new ATOM 0 HG SER B 59 2.562 10.814 -11.410 1.00 1.84 H new ATOM 1355 N GLY B 60 4.307 12.360 -7.580 1.00 0.91 N ATOM 1356 CA GLY B 60 5.637 12.719 -7.134 1.00 0.88 C ATOM 1357 C GLY B 60 5.839 12.355 -5.683 1.00 0.67 C ATOM 1358 O GLY B 60 6.959 12.093 -5.243 1.00 0.74 O ATOM 0 H GLY B 60 3.672 13.147 -7.709 1.00 0.91 H new ATOM 0 HA2 GLY B 60 6.380 12.209 -7.747 1.00 0.88 H new ATOM 0 HA3 GLY B 60 5.793 13.789 -7.269 1.00 0.88 H new ATOM 1362 N ILE B 61 4.742 12.339 -4.941 1.00 0.51 N ATOM 1363 CA ILE B 61 4.755 11.873 -3.570 1.00 0.54 C ATOM 1364 C ILE B 61 3.977 10.567 -3.492 1.00 0.73 C ATOM 1365 O ILE B 61 3.036 10.359 -4.263 1.00 1.81 O ATOM 1366 CB ILE B 61 4.151 12.909 -2.581 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.633 13.032 -2.767 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.824 14.263 -2.764 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.997 14.109 -1.913 1.00 0.79 C ATOM 0 H ILE B 61 3.827 12.646 -5.272 1.00 0.51 H new ATOM 0 HA ILE B 61 5.793 11.724 -3.274 1.00 0.54 H new ATOM 0 HB ILE B 61 4.335 12.559 -1.565 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.421 13.241 -3.816 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.169 12.074 -2.532 1.00 0.64 H new ATOM 0 HG21 ILE B 61 4.393 14.981 -2.066 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.893 14.167 -2.572 1.00 0.79 H new ATOM 0 HG23 ILE B 61 4.669 14.611 -3.785 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.923 14.135 -2.100 1.00 0.79 H new ATOM 0 HD12 ILE B 61 2.177 13.892 -0.860 1.00 0.79 H new ATOM 0 HD13 ILE B 61 2.432 15.076 -2.163 1.00 0.79 H new ATOM 1381 N PHE B 62 4.391 9.697 -2.583 1.00 0.58 N ATOM 1382 CA PHE B 62 3.743 8.401 -2.385 1.00 0.50 C ATOM 1383 C PHE B 62 3.710 7.603 -3.687 1.00 0.51 C ATOM 1384 O PHE B 62 2.664 7.083 -4.087 1.00 0.76 O ATOM 1385 CB PHE B 62 2.314 8.585 -1.867 1.00 0.50 C ATOM 1386 CG PHE B 62 2.195 9.562 -0.740 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.169 9.643 0.237 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.099 10.398 -0.657 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.051 10.538 1.273 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.977 11.296 0.377 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.952 11.363 1.341 1.00 0.59 C ATOM 0 H PHE B 62 5.182 9.865 -1.962 1.00 0.58 H new ATOM 0 HA PHE B 62 4.325 7.850 -1.646 1.00 0.50 H new ATOM 0 HB2 PHE B 62 1.680 8.916 -2.690 1.00 0.50 H new ATOM 0 HB3 PHE B 62 1.931 7.619 -1.539 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.032 8.996 0.186 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.329 10.346 -1.413 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.818 10.594 2.031 1.00 0.53 H new ATOM 0 HE2 PHE B 62 0.117 11.947 0.431 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.856 12.066 2.156 1.00 0.59 H new ATOM 1401 N THR B 63 4.864 7.494 -4.323 1.00 0.35 N ATOM 1402 CA THR B 63 4.970 6.881 -5.635 1.00 0.38 C ATOM 1403 C THR B 63 4.500 5.426 -5.627 1.00 0.30 C ATOM 1404 O THR B 63 3.830 4.982 -6.557 1.00 0.38 O ATOM 1405 CB THR B 63 6.422 6.961 -6.149 1.00 0.49 C ATOM 1406 OG1 THR B 63 6.810 8.339 -6.272 1.00 0.79 O ATOM 1407 CG2 THR B 63 6.583 6.259 -7.492 1.00 0.66 C ATOM 0 H THR B 63 5.751 7.827 -3.945 1.00 0.35 H new ATOM 0 HA THR B 63 4.316 7.438 -6.306 1.00 0.38 H new ATOM 0 HB THR B 63 7.065 6.454 -5.429 1.00 0.49 H new ATOM 0 HG1 THR B 63 6.103 8.838 -6.732 1.00 0.79 H new ATOM 0 HG21 THR B 63 7.619 6.337 -7.821 1.00 0.66 H new ATOM 0 HG22 THR B 63 6.313 5.208 -7.388 1.00 0.66 H new ATOM 0 HG23 THR B 63 5.932 6.729 -8.229 1.00 0.66 H new ATOM 1415 N HIS B 64 4.824 4.693 -4.569 1.00 0.26 N ATOM 1416 CA HIS B 64 4.506 3.265 -4.529 1.00 0.25 C ATOM 1417 C HIS B 64 3.139 2.991 -3.925 1.00 0.25 C ATOM 1418 O HIS B 64 2.540 1.949 -4.184 1.00 0.54 O ATOM 1419 CB HIS B 64 5.584 2.488 -3.779 1.00 0.34 C ATOM 1420 CG HIS B 64 6.820 2.316 -4.589 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.590 1.176 -4.580 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.393 3.148 -5.479 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.582 1.321 -5.437 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.485 2.510 -5.999 1.00 0.68 N ATOM 0 H HIS B 64 5.298 5.052 -3.740 1.00 0.26 H new ATOM 0 HA HIS B 64 4.477 2.922 -5.563 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.828 3.010 -2.854 1.00 0.34 H new ATOM 0 HB3 HIS B 64 5.196 1.509 -3.500 1.00 0.34 H new ATOM 0 HD1 HIS B 64 7.421 0.352 -4.004 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.052 4.140 -5.736 1.00 0.71 H new ATOM 0 HE1 HIS B 64 9.347 0.587 -5.644 1.00 0.83 H new ATOM 1433 N LEU B 65 2.643 3.933 -3.144 1.00 0.32 N ATOM 1434 CA LEU B 65 1.366 3.762 -2.465 1.00 0.22 C ATOM 1435 C LEU B 65 0.217 3.658 -3.466 1.00 0.21 C ATOM 1436 O LEU B 65 -0.788 2.999 -3.199 1.00 0.24 O ATOM 1437 CB LEU B 65 1.121 4.892 -1.480 1.00 0.29 C ATOM 1438 CG LEU B 65 2.018 4.878 -0.240 1.00 0.36 C ATOM 1439 CD1 LEU B 65 3.403 5.382 -0.548 1.00 0.84 C ATOM 1440 CD2 LEU B 65 1.408 5.686 0.854 1.00 0.99 C ATOM 0 H LEU B 65 3.103 4.825 -2.962 1.00 0.32 H new ATOM 0 HA LEU B 65 1.409 2.827 -1.907 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.258 5.841 -1.998 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.081 4.853 -1.157 1.00 0.29 H new ATOM 0 HG LEU B 65 2.106 3.842 0.088 1.00 0.36 H new ATOM 0 HD11 LEU B 65 4.009 5.357 0.358 1.00 0.84 H new ATOM 0 HD12 LEU B 65 3.860 4.749 -1.308 1.00 0.84 H new ATOM 0 HD13 LEU B 65 3.344 6.406 -0.916 1.00 0.84 H new ATOM 0 HD21 LEU B 65 2.059 5.665 1.728 1.00 0.99 H new ATOM 0 HD22 LEU B 65 1.283 6.716 0.519 1.00 0.99 H new ATOM 0 HD23 LEU B 65 0.436 5.269 1.116 1.00 0.99 H new ATOM 1452 N GLU B 66 0.371 4.318 -4.612 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.586 4.207 -5.710 1.00 0.40 C ATOM 1454 C GLU B 66 -0.835 2.744 -6.079 1.00 0.38 C ATOM 1455 O GLU B 66 -1.964 2.253 -5.995 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.068 4.964 -6.935 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.023 4.936 -8.114 1.00 0.88 C ATOM 1458 CD GLU B 66 -0.435 5.571 -9.354 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -0.660 6.777 -9.580 1.00 1.75 O ATOM 1460 OE2 GLU B 66 0.260 4.866 -10.116 1.00 1.75 O ATOM 0 H GLU B 66 1.156 4.940 -4.805 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.528 4.645 -5.381 1.00 0.40 H new ATOM 0 HB2 GLU B 66 0.123 6.001 -6.657 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.886 4.535 -7.241 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -1.294 3.903 -8.333 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -1.942 5.456 -7.845 1.00 0.88 H new ATOM 1467 N ARG B 67 0.226 2.050 -6.484 1.00 0.42 N ATOM 1468 CA ARG B 67 0.121 0.645 -6.859 1.00 0.44 C ATOM 1469 C ARG B 67 -0.291 -0.203 -5.665 1.00 0.39 C ATOM 1470 O ARG B 67 -0.949 -1.228 -5.821 1.00 0.40 O ATOM 1471 CB ARG B 67 1.443 0.135 -7.446 1.00 0.54 C ATOM 1472 CG ARG B 67 1.477 -1.371 -7.666 1.00 0.74 C ATOM 1473 CD ARG B 67 2.560 -1.775 -8.655 1.00 0.86 C ATOM 1474 NE ARG B 67 3.882 -1.272 -8.286 1.00 1.08 N ATOM 1475 CZ ARG B 67 5.001 -1.591 -8.936 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.961 -2.441 -9.954 1.00 1.71 N ATOM 1477 NH2 ARG B 67 6.158 -1.057 -8.570 1.00 2.07 N ATOM 0 H ARG B 67 1.166 2.438 -6.560 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.650 0.559 -7.625 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.625 0.636 -8.397 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.258 0.414 -6.778 1.00 0.54 H new ATOM 0 HG2 ARG B 67 1.649 -1.873 -6.714 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.507 -1.706 -8.033 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.596 -2.862 -8.723 1.00 0.86 H new ATOM 0 HD3 ARG B 67 2.298 -1.402 -9.645 1.00 0.86 H new ATOM 0 HE ARG B 67 3.952 -0.642 -7.487 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.073 -2.852 -10.241 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.819 -2.684 -10.450 1.00 1.71 H new ATOM 0 HH21 ARG B 67 6.193 -0.401 -7.790 1.00 2.07 H new ATOM 0 HH22 ARG B 67 7.013 -1.302 -9.069 1.00 2.07 H new ATOM 1491 N LEU B 68 0.074 0.242 -4.471 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.288 -0.470 -3.257 1.00 0.34 C ATOM 1493 C LEU B 68 -1.799 -0.517 -3.069 1.00 0.31 C ATOM 1494 O LEU B 68 -2.325 -1.473 -2.522 1.00 0.41 O ATOM 1495 CB LEU B 68 0.384 0.157 -2.041 1.00 0.33 C ATOM 1496 CG LEU B 68 1.873 -0.136 -1.902 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.351 0.260 -0.522 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.166 -1.604 -2.173 1.00 0.62 C ATOM 0 H LEU B 68 0.619 1.091 -4.319 1.00 0.36 H new ATOM 0 HA LEU B 68 0.068 -1.495 -3.358 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.245 1.237 -2.085 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.125 -0.194 -1.143 1.00 0.33 H new ATOM 0 HG LEU B 68 2.413 0.453 -2.643 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.416 0.047 -0.431 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.179 1.326 -0.369 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.802 -0.307 0.230 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.235 -1.787 -2.067 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.620 -2.222 -1.460 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.853 -1.857 -3.186 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.497 0.494 -3.562 1.00 0.27 N ATOM 1511 CA LEU B 69 -3.960 0.466 -3.508 1.00 0.24 C ATOM 1512 C LEU B 69 -4.493 -0.426 -4.620 1.00 0.25 C ATOM 1513 O LEU B 69 -5.402 -1.246 -4.421 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.586 1.863 -3.620 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.639 2.681 -2.323 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -5.999 3.292 -2.129 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.282 1.841 -1.119 1.00 0.30 C ATOM 0 H LEU B 69 -2.093 1.325 -3.994 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.240 0.068 -2.533 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.027 2.432 -4.363 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.602 1.755 -4.000 1.00 0.25 H new ATOM 0 HG LEU B 69 -3.900 3.477 -2.417 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.011 3.867 -1.203 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.225 3.951 -2.968 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.748 2.502 -2.076 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.331 2.455 -0.220 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -4.985 1.013 -1.032 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.272 1.448 -1.236 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.863 -0.329 -5.775 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.329 -1.059 -6.936 1.00 0.35 C ATOM 1531 C ASP B 70 -4.156 -2.547 -6.690 1.00 0.38 C ATOM 1532 O ASP B 70 -4.932 -3.361 -7.185 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.578 -0.617 -8.192 1.00 0.43 C ATOM 1534 CG ASP B 70 -4.043 -1.342 -9.441 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -5.220 -1.177 -9.825 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -3.228 -2.062 -10.057 1.00 1.56 O ATOM 0 H ASP B 70 -3.034 0.244 -5.933 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.386 -0.846 -7.098 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.710 0.456 -8.330 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.511 -0.791 -8.052 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.148 -2.892 -5.894 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.914 -4.263 -5.483 1.00 0.50 C ATOM 1543 C GLU B 71 -3.728 -4.650 -4.254 1.00 0.46 C ATOM 1544 O GLU B 71 -4.414 -5.666 -4.270 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.436 -4.463 -5.184 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.635 -4.923 -6.385 1.00 0.94 C ATOM 1547 CD GLU B 71 -1.318 -6.054 -7.126 1.00 1.47 C ATOM 1548 OE1 GLU B 71 -1.911 -5.791 -8.193 1.00 2.14 O ATOM 1549 OE2 GLU B 71 -1.289 -7.198 -6.636 1.00 2.18 O ATOM 0 H GLU B 71 -2.473 -2.225 -5.519 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.230 -4.904 -6.306 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.018 -3.526 -4.815 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.331 -5.196 -4.384 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.486 -4.083 -7.064 1.00 0.94 H new ATOM 0 HG3 GLU B 71 0.353 -5.248 -6.058 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.653 -3.841 -3.197 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.340 -4.156 -1.937 1.00 0.45 C ATOM 1558 C GLU B 72 -5.844 -4.196 -2.156 1.00 0.42 C ATOM 1559 O GLU B 72 -6.515 -5.149 -1.782 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.016 -3.128 -0.847 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.780 -3.355 0.452 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.298 -4.566 1.227 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.140 -4.459 2.460 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.075 -5.626 0.607 1.00 1.33 O ATOM 0 H GLU B 72 -3.128 -2.967 -3.184 1.00 0.43 H new ATOM 0 HA GLU B 72 -3.987 -5.133 -1.606 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -2.946 -3.156 -0.639 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.242 -2.130 -1.222 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.686 -2.469 1.080 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.840 -3.475 0.226 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.348 -3.174 -2.825 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.776 -3.064 -3.087 1.00 0.35 C ATOM 1573 C ILE B 73 -8.219 -4.236 -3.933 1.00 0.40 C ATOM 1574 O ILE B 73 -9.278 -4.817 -3.711 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.127 -1.736 -3.793 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.097 -0.597 -2.783 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.480 -1.808 -4.491 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.436 0.746 -3.378 1.00 0.27 C ATOM 0 H ILE B 73 -5.790 -2.406 -3.198 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.301 -3.074 -2.132 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.380 -1.551 -4.565 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.800 -0.817 -1.979 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.105 -0.546 -2.334 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.691 -0.855 -4.976 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.461 -2.600 -5.240 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.257 -2.021 -3.757 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.395 1.509 -2.601 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.719 0.988 -4.162 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.440 0.713 -3.802 1.00 0.27 H new ATOM 1590 N SER B 74 -7.375 -4.601 -4.880 1.00 0.41 N ATOM 1591 CA SER B 74 -7.663 -5.746 -5.737 1.00 0.49 C ATOM 1592 C SER B 74 -7.675 -7.051 -4.928 1.00 0.54 C ATOM 1593 O SER B 74 -8.633 -7.818 -4.985 1.00 0.60 O ATOM 1594 CB SER B 74 -6.637 -5.842 -6.864 1.00 0.52 C ATOM 1595 OG SER B 74 -6.992 -6.847 -7.796 1.00 1.34 O ATOM 0 H SER B 74 -6.492 -4.130 -5.078 1.00 0.41 H new ATOM 0 HA SER B 74 -8.653 -5.599 -6.169 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.561 -4.881 -7.373 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.654 -6.060 -6.447 1.00 0.52 H new ATOM 0 HG SER B 74 -6.319 -6.886 -8.507 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.638 -7.255 -4.126 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.452 -8.533 -3.436 1.00 0.63 C ATOM 1603 C ARG B 75 -7.493 -8.697 -2.338 1.00 0.65 C ATOM 1604 O ARG B 75 -7.993 -9.794 -2.117 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.040 -8.690 -2.861 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.671 -7.646 -1.828 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.325 -7.935 -1.187 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.354 -9.138 -0.355 1.00 1.84 N ATOM 1609 CZ ARG B 75 -3.403 -9.119 0.979 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -3.520 -7.969 1.634 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -3.365 -10.256 1.661 1.00 3.67 N ATOM 0 H ARG B 75 -5.916 -6.560 -3.936 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.583 -9.320 -4.179 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -4.951 -9.678 -2.410 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.320 -8.647 -3.678 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.646 -6.663 -2.298 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.440 -7.611 -1.057 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -2.572 -8.053 -1.966 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.024 -7.082 -0.579 1.00 1.26 H new ATOM 0 HE ARG B 75 -3.336 -10.045 -0.822 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -3.573 -7.091 1.118 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -3.557 -7.964 2.653 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -3.298 -11.145 1.166 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -3.402 -10.241 2.680 1.00 3.67 H new ATOM 1625 N VAL B 76 -7.832 -7.593 -1.679 1.00 0.62 N ATOM 1626 CA VAL B 76 -8.867 -7.588 -0.652 1.00 0.67 C ATOM 1627 C VAL B 76 -10.201 -8.089 -1.215 1.00 0.71 C ATOM 1628 O VAL B 76 -10.997 -8.686 -0.500 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.037 -6.170 -0.041 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.297 -6.062 0.804 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -7.824 -5.805 0.803 1.00 0.59 C ATOM 0 H VAL B 76 -7.400 -6.683 -1.841 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.552 -8.268 0.140 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.127 -5.471 -0.873 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.376 -5.054 1.212 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.169 -6.273 0.185 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.250 -6.781 1.621 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -7.960 -4.809 1.223 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -7.712 -6.528 1.611 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -6.930 -5.817 0.180 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.407 -7.897 -2.514 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.663 -8.283 -3.152 1.00 0.73 C ATOM 1643 C ARG B 77 -11.769 -9.802 -3.291 1.00 0.87 C ATOM 1644 O ARG B 77 -12.863 -10.362 -3.227 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.796 -7.617 -4.523 1.00 0.75 C ATOM 1646 CG ARG B 77 -11.896 -6.102 -4.450 1.00 0.80 C ATOM 1647 CD ARG B 77 -11.900 -5.468 -5.832 1.00 0.84 C ATOM 1648 NE ARG B 77 -13.086 -5.830 -6.606 1.00 1.38 N ATOM 1649 CZ ARG B 77 -13.342 -5.375 -7.833 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.486 -4.560 -8.437 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -14.453 -5.743 -8.456 1.00 2.73 N ATOM 0 H ARG B 77 -9.724 -7.478 -3.145 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.479 -7.942 -2.514 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.936 -7.888 -5.135 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.681 -8.009 -5.025 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -12.807 -5.823 -3.920 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.058 -5.710 -3.873 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.852 -4.384 -5.732 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -11.007 -5.778 -6.374 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.758 -6.469 -6.182 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.628 -4.279 -7.963 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -12.686 -4.215 -9.376 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -15.110 -6.373 -7.997 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -14.650 -5.396 -9.395 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.635 -10.473 -3.474 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.627 -11.924 -3.601 1.00 1.08 C ATOM 1667 C LYS B 78 -10.428 -12.567 -2.237 1.00 1.12 C ATOM 1668 O LYS B 78 -11.155 -13.481 -1.849 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.501 -12.382 -4.530 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.583 -11.837 -5.944 1.00 1.35 C ATOM 1671 CD LYS B 78 -8.847 -10.517 -6.047 1.00 2.01 C ATOM 1672 CE LYS B 78 -9.024 -9.866 -7.409 1.00 2.67 C ATOM 1673 NZ LYS B 78 -8.312 -10.609 -8.482 1.00 3.44 N ATOM 0 H LYS B 78 -9.715 -10.036 -3.537 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.586 -12.229 -4.020 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -8.547 -12.085 -4.096 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -9.506 -13.471 -4.574 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.153 -12.555 -6.642 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -10.627 -11.701 -6.228 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.208 -9.840 -5.273 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.786 -10.679 -5.859 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -10.086 -9.813 -7.649 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -8.654 -8.842 -7.371 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -8.460 -10.130 -9.393 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -7.295 -10.639 -8.268 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -8.682 -11.579 -8.537 1.00 3.44 H new