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: B 74 SER OG : rot 180:sc= -0.284 USER MOD Set 1.2: B 78 LYS NZ :NH3+ -159:sc= 0.397 (180deg=0.408) USER MOD Set 2.1: B 49 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0124) USER MOD Set 2.2: B 53 SER OG : rot -86:sc= 1.05 USER MOD Set 3.1: A 74 SER OG : rot 180:sc= -0.228 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -163:sc= 0.514 (180deg=0.437) USER MOD Set 4.1: A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0171) USER MOD Set 4.2: A 53 SER OG : rot -87:sc= 1.02 USER MOD Single : A 38 THR OG1 : rot -39:sc= 0.159 USER MOD Single : A 41 TYR OH : rot -32:sc= 1.2 USER MOD Single : A 43 MET CE :methyl -124:sc= -0.542 (180deg=-0.891) USER MOD Single : A 44 GLN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 46 MET CE :methyl -147:sc= -1.1 (180deg=-2.19!) USER MOD Single : A 47 ASN : amide:sc=-7.59e-05 K(o=-7.6e-05,f=-0.72) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -112:sc= -3.85! (180deg=-5.33!) USER MOD Single : A 54 SER OG : rot -37:sc= 0.148 USER MOD Single : A 57 ASN : amide:sc= -2.85! C(o=-2.9!,f=-10!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0454 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -3.34! C(o=-3.3!,f=-5.5!) USER MOD Single : B 38 THR OG1 : rot -31:sc= 0.179 USER MOD Single : B 41 TYR OH : rot -33:sc= 1.22 USER MOD Single : B 43 MET CE :methyl -125:sc= -0.531 (180deg=-0.903) USER MOD Single : B 44 GLN : amide:sc= 0.5 K(o=0.5,f=0) USER MOD Single : B 46 MET CE :methyl -148:sc= -1.17 (180deg=-2.2!) USER MOD Single : B 47 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 MET CE :methyl -121:sc= -3.78! (180deg=-5.36!) USER MOD Single : B 54 SER OG : rot -40:sc= 0.148 USER MOD Single : B 57 ASN : amide:sc= -2.77! C(o=-2.8!,f=-10!) USER MOD Single : B 59 SER OG : rot 180:sc= 0.0518 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 64 HIS : no HE2:sc= -2.62 K(o=-2.6,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 12.153 -5.550 -5.782 1.00 0.97 N ATOM 131 CA THR A 38 13.601 -5.582 -5.694 1.00 0.83 C ATOM 132 C THR A 38 14.079 -4.556 -4.665 1.00 0.72 C ATOM 133 O THR A 38 13.260 -3.795 -4.148 1.00 0.65 O ATOM 134 CB THR A 38 14.219 -5.290 -7.078 1.00 0.79 C ATOM 135 OG1 THR A 38 13.689 -4.064 -7.603 1.00 0.85 O ATOM 136 CG2 THR A 38 13.927 -6.430 -8.045 1.00 0.95 C ATOM 0 HA THR A 38 13.921 -6.573 -5.374 1.00 0.83 H new ATOM 0 HB THR A 38 15.299 -5.196 -6.961 1.00 0.79 H new ATOM 0 HG1 THR A 38 12.736 -3.999 -7.383 1.00 0.85 H new ATOM 0 HG21 THR A 38 14.370 -6.207 -9.015 1.00 0.95 H new ATOM 0 HG22 THR A 38 14.352 -7.355 -7.656 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.849 -6.545 -8.157 1.00 0.95 H new ATOM 144 N PRO A 39 15.382 -4.515 -4.316 1.00 0.74 N ATOM 145 CA PRO A 39 15.902 -3.511 -3.382 1.00 0.70 C ATOM 146 C PRO A 39 15.512 -2.091 -3.782 1.00 0.62 C ATOM 147 O PRO A 39 15.186 -1.269 -2.930 1.00 0.56 O ATOM 148 CB PRO A 39 17.412 -3.696 -3.461 1.00 0.78 C ATOM 149 CG PRO A 39 17.590 -5.123 -3.845 1.00 0.87 C ATOM 150 CD PRO A 39 16.437 -5.449 -4.756 1.00 0.83 C ATOM 0 HA PRO A 39 15.499 -3.643 -2.378 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.856 -3.028 -4.199 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.890 -3.479 -2.506 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.543 -5.276 -4.351 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.588 -5.768 -2.966 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.697 -5.298 -5.804 1.00 0.83 H new ATOM 0 HD3 PRO A 39 16.124 -6.488 -4.652 1.00 0.83 H new ATOM 158 N ASP A 40 15.520 -1.821 -5.087 1.00 0.66 N ATOM 159 CA ASP A 40 15.116 -0.515 -5.611 1.00 0.64 C ATOM 160 C ASP A 40 13.690 -0.196 -5.187 1.00 0.58 C ATOM 161 O ASP A 40 13.363 0.943 -4.844 1.00 0.58 O ATOM 162 CB ASP A 40 15.204 -0.497 -7.139 1.00 0.72 C ATOM 163 CG ASP A 40 16.592 -0.808 -7.652 1.00 1.44 C ATOM 164 OD1 ASP A 40 17.377 0.135 -7.874 1.00 2.22 O ATOM 165 OD2 ASP A 40 16.908 -2.000 -7.833 1.00 2.15 O ATOM 0 H ASP A 40 15.802 -2.490 -5.803 1.00 0.66 H new ATOM 0 HA ASP A 40 15.793 0.237 -5.205 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.500 -1.223 -7.547 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.898 0.484 -7.504 1.00 0.72 H new ATOM 170 N TYR A 41 12.848 -1.218 -5.206 1.00 0.57 N ATOM 171 CA TYR A 41 11.465 -1.095 -4.777 1.00 0.54 C ATOM 172 C TYR A 41 11.406 -0.679 -3.310 1.00 0.46 C ATOM 173 O TYR A 41 10.548 0.112 -2.918 1.00 0.43 O ATOM 174 CB TYR A 41 10.736 -2.426 -4.992 1.00 0.61 C ATOM 175 CG TYR A 41 9.238 -2.367 -4.801 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.668 -2.599 -3.559 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.393 -2.101 -5.868 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.299 -2.567 -3.383 1.00 0.69 C ATOM 179 CE2 TYR A 41 7.022 -2.062 -5.701 1.00 0.88 C ATOM 180 CZ TYR A 41 6.480 -2.298 -4.457 1.00 0.73 C ATOM 181 OH TYR A 41 5.115 -2.262 -4.290 1.00 0.81 O ATOM 0 H TYR A 41 13.105 -2.154 -5.519 1.00 0.57 H new ATOM 0 HA TYR A 41 10.971 -0.326 -5.371 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.946 -2.780 -6.001 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.147 -3.164 -4.304 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.306 -2.809 -2.714 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.814 -1.921 -6.846 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.873 -2.752 -2.408 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.379 -1.848 -6.542 1.00 0.88 H new ATOM 0 HH TYR A 41 4.854 -2.897 -3.591 1.00 0.81 H new ATOM 191 N LEU A 42 12.356 -1.167 -2.519 1.00 0.44 N ATOM 192 CA LEU A 42 12.373 -0.883 -1.091 1.00 0.39 C ATOM 193 C LEU A 42 13.004 0.477 -0.814 1.00 0.37 C ATOM 194 O LEU A 42 12.604 1.171 0.115 1.00 0.34 O ATOM 195 CB LEU A 42 13.136 -1.964 -0.319 1.00 0.43 C ATOM 196 CG LEU A 42 13.285 -1.692 1.185 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.928 -1.653 1.863 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.175 -2.732 1.840 1.00 0.48 C ATOM 0 H LEU A 42 13.121 -1.759 -2.842 1.00 0.44 H new ATOM 0 HA LEU A 42 11.337 -0.873 -0.752 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.624 -2.917 -0.453 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.129 -2.071 -0.755 1.00 0.43 H new ATOM 0 HG LEU A 42 13.757 -0.717 1.303 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.059 -1.459 2.928 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.323 -0.861 1.421 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.426 -2.611 1.728 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.264 -2.516 2.905 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.738 -3.721 1.706 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.163 -2.706 1.381 1.00 0.48 H new ATOM 210 N MET A 43 13.960 0.879 -1.645 1.00 0.40 N ATOM 211 CA MET A 43 14.683 2.124 -1.412 1.00 0.40 C ATOM 212 C MET A 43 13.753 3.293 -1.672 1.00 0.37 C ATOM 213 O MET A 43 13.799 4.320 -0.993 1.00 0.36 O ATOM 214 CB MET A 43 15.917 2.232 -2.316 1.00 0.47 C ATOM 215 CG MET A 43 16.941 1.116 -2.135 1.00 0.63 C ATOM 216 SD MET A 43 17.526 0.947 -0.435 1.00 0.85 S ATOM 217 CE MET A 43 16.521 -0.419 0.149 1.00 0.55 C ATOM 0 H MET A 43 14.250 0.367 -2.478 1.00 0.40 H new ATOM 0 HA MET A 43 15.025 2.138 -0.377 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.589 2.240 -3.355 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.405 3.188 -2.128 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.499 0.172 -2.455 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.793 1.306 -2.787 1.00 0.63 H new ATOM 0 HE1 MET A 43 15.975 -0.113 1.041 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.813 -0.708 -0.628 1.00 0.55 H new ATOM 0 HE3 MET A 43 17.163 -1.267 0.389 1.00 0.55 H new ATOM 227 N GLN A 44 12.876 3.099 -2.644 1.00 0.36 N ATOM 228 CA GLN A 44 11.877 4.096 -2.977 1.00 0.35 C ATOM 229 C GLN A 44 10.802 4.125 -1.897 1.00 0.30 C ATOM 230 O GLN A 44 10.298 5.190 -1.545 1.00 0.30 O ATOM 231 CB GLN A 44 11.264 3.807 -4.345 1.00 0.42 C ATOM 232 CG GLN A 44 12.241 3.975 -5.497 1.00 0.52 C ATOM 233 CD GLN A 44 11.684 3.474 -6.813 1.00 0.64 C ATOM 234 OE1 GLN A 44 11.045 4.214 -7.561 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.930 2.209 -7.108 1.00 0.75 N ATOM 0 H GLN A 44 12.838 2.256 -3.217 1.00 0.36 H new ATOM 0 HA GLN A 44 12.354 5.075 -3.025 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.878 2.788 -4.353 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.414 4.471 -4.501 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.503 5.029 -5.595 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.162 3.438 -5.269 1.00 0.52 H new ATOM 0 HE21 GLN A 44 12.464 1.629 -6.461 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.586 1.813 -7.983 1.00 0.75 H new ATOM 244 N LEU A 45 10.472 2.948 -1.359 1.00 0.27 N ATOM 245 CA LEU A 45 9.523 2.844 -0.255 1.00 0.25 C ATOM 246 C LEU A 45 10.036 3.559 0.980 1.00 0.23 C ATOM 247 O LEU A 45 9.254 4.103 1.762 1.00 0.23 O ATOM 248 CB LEU A 45 9.256 1.380 0.093 1.00 0.29 C ATOM 249 CG LEU A 45 8.122 0.713 -0.678 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.014 -0.753 -0.298 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.809 1.424 -0.397 1.00 0.31 C ATOM 0 H LEU A 45 10.850 2.054 -1.673 1.00 0.27 H new ATOM 0 HA LEU A 45 8.596 3.317 -0.580 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.171 0.812 -0.079 1.00 0.29 H new ATOM 0 HB3 LEU A 45 9.035 1.313 1.158 1.00 0.29 H new ATOM 0 HG LEU A 45 8.339 0.781 -1.744 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.200 -1.215 -0.857 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.950 -1.260 -0.534 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.815 -0.838 0.770 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.006 0.939 -0.953 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.591 1.377 0.670 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.886 2.466 -0.706 1.00 0.31 H new ATOM 263 N MET A 46 11.353 3.564 1.155 1.00 0.26 N ATOM 264 CA MET A 46 11.952 4.214 2.306 1.00 0.28 C ATOM 265 C MET A 46 11.638 5.692 2.283 1.00 0.27 C ATOM 266 O MET A 46 11.439 6.307 3.327 1.00 0.41 O ATOM 267 CB MET A 46 13.467 4.030 2.352 1.00 0.33 C ATOM 268 CG MET A 46 13.919 2.590 2.501 1.00 0.39 C ATOM 269 SD MET A 46 15.669 2.458 2.928 1.00 0.49 S ATOM 270 CE MET A 46 16.405 3.550 1.711 1.00 0.49 C ATOM 0 H MET A 46 12.019 3.128 0.517 1.00 0.26 H new ATOM 0 HA MET A 46 11.528 3.746 3.194 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.899 4.441 1.439 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.866 4.611 3.183 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.322 2.103 3.272 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.734 2.056 1.569 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.390 3.174 1.433 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.769 3.591 0.827 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.505 4.550 2.133 1.00 0.49 H new ATOM 280 N ASN A 47 11.570 6.272 1.091 1.00 0.24 N ATOM 281 CA ASN A 47 11.300 7.688 0.971 1.00 0.30 C ATOM 282 C ASN A 47 9.798 7.936 1.005 1.00 0.26 C ATOM 283 O ASN A 47 9.356 9.014 1.384 1.00 0.27 O ATOM 284 CB ASN A 47 11.894 8.241 -0.326 1.00 0.42 C ATOM 285 CG ASN A 47 11.826 9.757 -0.400 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.930 10.448 0.616 1.00 1.61 O ATOM 287 ND2 ASN A 47 11.651 10.285 -1.598 1.00 1.42 N ATOM 0 H ASN A 47 11.698 5.784 0.205 1.00 0.24 H new ATOM 0 HA ASN A 47 11.766 8.203 1.811 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.933 7.923 -0.410 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.361 7.815 -1.176 1.00 0.42 H new ATOM 0 HD21 ASN A 47 11.598 11.298 -1.706 1.00 1.42 H new ATOM 0 HD22 ASN A 47 11.569 9.680 -2.415 1.00 1.42 H new ATOM 294 N ASP A 48 9.007 6.919 0.658 1.00 0.24 N ATOM 295 CA ASP A 48 7.554 7.057 0.643 1.00 0.24 C ATOM 296 C ASP A 48 7.046 7.188 2.072 1.00 0.25 C ATOM 297 O ASP A 48 6.276 8.095 2.400 1.00 0.30 O ATOM 298 CB ASP A 48 6.883 5.837 -0.015 1.00 0.25 C ATOM 299 CG ASP A 48 6.978 5.811 -1.531 1.00 0.29 C ATOM 300 OD1 ASP A 48 6.977 4.704 -2.113 1.00 0.93 O ATOM 301 OD2 ASP A 48 7.030 6.887 -2.150 1.00 0.74 O ATOM 0 H ASP A 48 9.348 5.997 0.386 1.00 0.24 H new ATOM 0 HA ASP A 48 7.303 7.946 0.064 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.338 4.929 0.381 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.832 5.817 0.272 1.00 0.25 H new ATOM 306 N LYS A 49 7.513 6.277 2.921 1.00 0.22 N ATOM 307 CA LYS A 49 7.151 6.266 4.332 1.00 0.27 C ATOM 308 C LYS A 49 7.714 7.502 5.035 1.00 0.32 C ATOM 309 O LYS A 49 7.206 7.931 6.067 1.00 0.44 O ATOM 310 CB LYS A 49 7.679 4.987 4.996 1.00 0.31 C ATOM 311 CG LYS A 49 6.726 4.379 6.021 1.00 0.59 C ATOM 312 CD LYS A 49 6.412 5.346 7.147 1.00 0.92 C ATOM 313 CE LYS A 49 7.579 5.500 8.108 1.00 1.45 C ATOM 314 NZ LYS A 49 7.315 6.546 9.127 1.00 2.10 N ATOM 0 H LYS A 49 8.151 5.529 2.650 1.00 0.22 H new ATOM 0 HA LYS A 49 6.065 6.286 4.418 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.884 4.247 4.223 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.628 5.209 5.485 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.800 4.085 5.526 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.168 3.472 6.434 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.157 6.319 6.728 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.537 4.994 7.693 1.00 0.92 H new ATOM 0 HE2 LYS A 49 7.770 4.548 8.604 1.00 1.45 H new ATOM 0 HE3 LYS A 49 8.480 5.755 7.549 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 8.086 6.554 9.825 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.258 7.475 8.664 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 6.415 6.343 9.608 1.00 2.10 H new ATOM 328 N LYS A 50 8.736 8.096 4.445 1.00 0.30 N ATOM 329 CA LYS A 50 9.369 9.272 5.025 1.00 0.37 C ATOM 330 C LYS A 50 8.606 10.523 4.619 1.00 0.39 C ATOM 331 O LYS A 50 8.439 11.449 5.412 1.00 0.43 O ATOM 332 CB LYS A 50 10.825 9.382 4.580 1.00 0.42 C ATOM 333 CG LYS A 50 11.834 8.975 5.646 1.00 1.14 C ATOM 334 CD LYS A 50 11.622 7.547 6.121 1.00 1.67 C ATOM 335 CE LYS A 50 12.695 7.133 7.115 1.00 2.35 C ATOM 336 NZ LYS A 50 12.502 5.742 7.597 1.00 3.05 N ATOM 0 H LYS A 50 9.147 7.785 3.565 1.00 0.30 H new ATOM 0 HA LYS A 50 9.349 9.173 6.110 1.00 0.37 H new ATOM 0 HB2 LYS A 50 10.972 8.758 3.699 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.025 10.410 4.280 1.00 0.42 H new ATOM 0 HG2 LYS A 50 12.843 9.077 5.247 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.757 9.654 6.495 1.00 1.14 H new ATOM 0 HD2 LYS A 50 10.639 7.457 6.584 1.00 1.67 H new ATOM 0 HD3 LYS A 50 11.634 6.871 5.266 1.00 1.67 H new ATOM 0 HE2 LYS A 50 13.676 7.222 6.647 1.00 2.35 H new ATOM 0 HE3 LYS A 50 12.684 7.816 7.965 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 13.255 5.501 8.272 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 11.577 5.662 8.067 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 12.538 5.087 6.790 1.00 3.05 H new ATOM 350 N LEU A 51 8.172 10.552 3.365 1.00 0.38 N ATOM 351 CA LEU A 51 7.321 11.623 2.867 1.00 0.44 C ATOM 352 C LEU A 51 6.065 11.758 3.712 1.00 0.42 C ATOM 353 O LEU A 51 5.736 12.849 4.170 1.00 0.47 O ATOM 354 CB LEU A 51 6.927 11.368 1.408 1.00 0.48 C ATOM 355 CG LEU A 51 8.064 11.476 0.390 1.00 0.70 C ATOM 356 CD1 LEU A 51 7.588 11.047 -0.988 1.00 1.10 C ATOM 357 CD2 LEU A 51 8.604 12.896 0.346 1.00 1.22 C ATOM 0 H LEU A 51 8.398 9.840 2.671 1.00 0.38 H new ATOM 0 HA LEU A 51 7.890 12.551 2.928 1.00 0.44 H new ATOM 0 HB2 LEU A 51 6.492 10.371 1.336 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.147 12.077 1.131 1.00 0.48 H new ATOM 0 HG LEU A 51 8.868 10.809 0.700 1.00 0.70 H new ATOM 0 HD11 LEU A 51 8.410 11.130 -1.699 1.00 1.10 H new ATOM 0 HD12 LEU A 51 7.245 10.013 -0.949 1.00 1.10 H new ATOM 0 HD13 LEU A 51 6.767 11.690 -1.306 1.00 1.10 H new ATOM 0 HD21 LEU A 51 9.412 12.956 -0.383 1.00 1.22 H new ATOM 0 HD22 LEU A 51 7.805 13.580 0.059 1.00 1.22 H new ATOM 0 HD23 LEU A 51 8.982 13.172 1.330 1.00 1.22 H new ATOM 369 N MET A 52 5.379 10.643 3.951 1.00 0.39 N ATOM 370 CA MET A 52 4.095 10.675 4.636 1.00 0.37 C ATOM 371 C MET A 52 4.247 11.107 6.095 1.00 0.41 C ATOM 372 O MET A 52 3.348 11.725 6.660 1.00 0.47 O ATOM 373 CB MET A 52 3.403 9.306 4.539 1.00 0.33 C ATOM 374 CG MET A 52 4.152 8.173 5.215 1.00 1.29 C ATOM 375 SD MET A 52 3.373 6.570 4.940 1.00 1.25 S ATOM 376 CE MET A 52 3.486 6.430 3.155 1.00 0.31 C ATOM 0 H MET A 52 5.692 9.711 3.681 1.00 0.39 H new ATOM 0 HA MET A 52 3.469 11.417 4.141 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.410 9.383 4.981 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.265 9.057 3.487 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.176 8.145 4.842 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.208 8.367 6.286 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.487 6.486 2.722 1.00 0.31 H new ATOM 0 HE2 MET A 52 4.097 7.244 2.764 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.943 5.475 2.893 1.00 0.31 H new ATOM 386 N SER A 53 5.390 10.805 6.701 1.00 0.40 N ATOM 387 CA SER A 53 5.644 11.209 8.075 1.00 0.47 C ATOM 388 C SER A 53 6.126 12.656 8.148 1.00 0.50 C ATOM 389 O SER A 53 6.203 13.239 9.227 1.00 0.62 O ATOM 390 CB SER A 53 6.665 10.271 8.717 1.00 0.52 C ATOM 391 OG SER A 53 7.760 10.039 7.849 1.00 1.15 O ATOM 0 H SER A 53 6.150 10.285 6.264 1.00 0.40 H new ATOM 0 HA SER A 53 4.706 11.144 8.627 1.00 0.47 H new ATOM 0 HB2 SER A 53 7.023 10.703 9.652 1.00 0.52 H new ATOM 0 HB3 SER A 53 6.187 9.324 8.966 1.00 0.52 H new ATOM 0 HG SER A 53 7.551 9.291 7.251 1.00 1.15 H new ATOM 397 N SER A 54 6.440 13.235 6.997 1.00 0.49 N ATOM 398 CA SER A 54 6.887 14.619 6.935 1.00 0.53 C ATOM 399 C SER A 54 5.732 15.518 6.500 1.00 0.53 C ATOM 400 O SER A 54 5.845 16.745 6.493 1.00 0.53 O ATOM 401 CB SER A 54 8.062 14.745 5.959 1.00 0.60 C ATOM 402 OG SER A 54 8.667 16.026 6.034 1.00 1.30 O ATOM 0 H SER A 54 6.393 12.766 6.092 1.00 0.49 H new ATOM 0 HA SER A 54 7.221 14.934 7.924 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.804 13.978 6.181 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.712 14.566 4.942 1.00 0.60 H new ATOM 0 HG SER A 54 7.976 16.707 6.173 1.00 1.30 H new ATOM 408 N LEU A 55 4.626 14.887 6.132 1.00 0.54 N ATOM 409 CA LEU A 55 3.439 15.600 5.687 1.00 0.57 C ATOM 410 C LEU A 55 2.393 15.660 6.796 1.00 0.65 C ATOM 411 O LEU A 55 1.779 14.649 7.132 1.00 0.65 O ATOM 412 CB LEU A 55 2.845 14.915 4.455 1.00 0.51 C ATOM 413 CG LEU A 55 3.717 14.943 3.199 1.00 0.53 C ATOM 414 CD1 LEU A 55 3.087 14.102 2.102 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.923 16.371 2.722 1.00 0.64 C ATOM 0 H LEU A 55 4.527 13.872 6.134 1.00 0.54 H new ATOM 0 HA LEU A 55 3.731 16.618 5.429 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.634 13.876 4.706 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.890 15.387 4.224 1.00 0.51 H new ATOM 0 HG LEU A 55 4.691 14.521 3.445 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.718 14.131 1.214 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.989 13.072 2.444 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.101 14.499 1.860 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.546 16.370 1.828 1.00 0.64 H new ATOM 0 HD22 LEU A 55 2.957 16.820 2.491 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.414 16.949 3.505 1.00 0.64 H new ATOM 427 N PRO A 56 2.175 16.850 7.381 1.00 0.81 N ATOM 428 CA PRO A 56 1.137 17.057 8.398 1.00 0.94 C ATOM 429 C PRO A 56 -0.269 16.921 7.817 1.00 0.88 C ATOM 430 O PRO A 56 -1.252 16.814 8.551 1.00 1.19 O ATOM 431 CB PRO A 56 1.372 18.494 8.882 1.00 1.14 C ATOM 432 CG PRO A 56 2.732 18.862 8.392 1.00 1.26 C ATOM 433 CD PRO A 56 2.940 18.080 7.129 1.00 0.98 C ATOM 0 HA PRO A 56 1.200 16.315 9.194 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.615 19.171 8.485 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.316 18.556 9.969 1.00 1.14 H new ATOM 0 HG2 PRO A 56 2.803 19.933 8.204 1.00 1.26 H new ATOM 0 HG3 PRO A 56 3.493 18.617 9.133 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.569 18.616 6.255 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.995 17.871 6.951 1.00 0.98 H new ATOM 441 N ASN A 57 -0.354 16.931 6.492 1.00 0.63 N ATOM 442 CA ASN A 57 -1.630 16.778 5.805 1.00 0.62 C ATOM 443 C ASN A 57 -1.965 15.302 5.618 1.00 0.57 C ATOM 444 O ASN A 57 -3.129 14.938 5.438 1.00 0.59 O ATOM 445 CB ASN A 57 -1.623 17.513 4.449 1.00 0.68 C ATOM 446 CG ASN A 57 -0.476 17.110 3.527 1.00 1.32 C ATOM 447 OD1 ASN A 57 0.018 15.988 3.570 1.00 2.22 O ATOM 448 ND2 ASN A 57 -0.044 18.035 2.684 1.00 1.73 N ATOM 0 H ASN A 57 0.447 17.044 5.871 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.403 17.230 6.426 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -2.568 17.323 3.940 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -1.569 18.586 4.630 1.00 0.68 H new ATOM 0 HD21 ASN A 57 0.722 17.824 2.044 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -0.477 18.958 2.674 1.00 1.73 H new ATOM 455 N PHE A 58 -0.931 14.463 5.662 1.00 0.62 N ATOM 456 CA PHE A 58 -1.090 13.024 5.491 1.00 0.70 C ATOM 457 C PHE A 58 -2.095 12.456 6.485 1.00 0.90 C ATOM 458 O PHE A 58 -2.909 11.608 6.132 1.00 1.77 O ATOM 459 CB PHE A 58 0.248 12.304 5.629 1.00 0.69 C ATOM 460 CG PHE A 58 0.159 10.836 5.334 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.169 10.394 4.065 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.410 9.898 6.321 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.247 9.046 3.782 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.331 8.546 6.047 1.00 1.15 C ATOM 465 CZ PHE A 58 0.003 8.121 4.774 1.00 0.69 C ATOM 0 H PHE A 58 0.032 14.761 5.816 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.472 12.857 4.484 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.971 12.761 4.954 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.626 12.443 6.642 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.367 11.114 3.285 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.670 10.227 7.316 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.503 8.716 2.786 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.525 7.823 6.826 1.00 1.15 H new ATOM 0 HZ PHE A 58 -0.058 7.065 4.556 1.00 0.69 H new ATOM 475 N SER A 59 -2.032 12.916 7.728 1.00 0.91 N ATOM 476 CA SER A 59 -3.035 12.559 8.723 1.00 1.02 C ATOM 477 C SER A 59 -4.375 13.242 8.421 1.00 1.10 C ATOM 478 O SER A 59 -4.914 13.988 9.240 1.00 1.84 O ATOM 479 CB SER A 59 -2.531 12.931 10.117 1.00 1.21 C ATOM 480 OG SER A 59 -1.882 14.192 10.099 1.00 1.84 O ATOM 0 H SER A 59 -1.298 13.536 8.071 1.00 0.91 H new ATOM 0 HA SER A 59 -3.202 11.482 8.686 1.00 1.02 H new ATOM 0 HB2 SER A 59 -3.367 12.957 10.816 1.00 1.21 H new ATOM 0 HB3 SER A 59 -1.841 12.167 10.475 1.00 1.21 H new ATOM 0 HG SER A 59 -1.569 14.412 11.001 1.00 1.84 H new ATOM 486 N GLY A 60 -4.894 12.975 7.234 1.00 0.91 N ATOM 487 CA GLY A 60 -6.150 13.545 6.798 1.00 0.87 C ATOM 488 C GLY A 60 -6.662 12.837 5.564 1.00 0.66 C ATOM 489 O GLY A 60 -7.862 12.602 5.420 1.00 0.73 O ATOM 0 H GLY A 60 -4.455 12.358 6.550 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.886 13.469 7.598 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.019 14.606 6.586 1.00 0.87 H new ATOM 493 N ILE A 61 -5.743 12.495 4.670 1.00 0.50 N ATOM 494 CA ILE A 61 -6.077 11.697 3.499 1.00 0.54 C ATOM 495 C ILE A 61 -5.306 10.389 3.529 1.00 0.73 C ATOM 496 O ILE A 61 -4.363 10.241 4.303 1.00 1.81 O ATOM 497 CB ILE A 61 -5.794 12.417 2.148 1.00 0.58 C ATOM 498 CG1 ILE A 61 -4.285 12.567 1.850 1.00 0.64 C ATOM 499 CG2 ILE A 61 -6.482 13.775 2.114 1.00 0.79 C ATOM 500 CD1 ILE A 61 -3.590 13.659 2.625 1.00 0.78 C ATOM 0 H ILE A 61 -4.760 12.758 4.734 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.152 11.522 3.550 1.00 0.54 H new ATOM 0 HB ILE A 61 -6.207 11.784 1.363 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.791 11.619 2.064 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -4.157 12.760 0.785 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -6.274 14.265 1.163 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -7.558 13.641 2.225 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -6.107 14.393 2.930 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.536 13.687 2.349 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -4.051 14.619 2.394 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -3.680 13.461 3.693 1.00 0.78 H new ATOM 512 N PHE A 62 -5.721 9.447 2.692 1.00 0.58 N ATOM 513 CA PHE A 62 -5.022 8.173 2.545 1.00 0.50 C ATOM 514 C PHE A 62 -5.022 7.392 3.858 1.00 0.51 C ATOM 515 O PHE A 62 -4.010 7.318 4.557 1.00 0.76 O ATOM 516 CB PHE A 62 -3.584 8.400 2.073 1.00 0.50 C ATOM 517 CG PHE A 62 -3.459 9.192 0.802 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.497 9.260 -0.113 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.287 9.860 0.521 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.362 9.981 -1.279 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.148 10.584 -0.642 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.182 10.644 -1.541 1.00 0.59 C ATOM 0 H PHE A 62 -6.545 9.541 2.099 1.00 0.58 H new ATOM 0 HA PHE A 62 -5.553 7.587 1.795 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.034 8.914 2.861 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.105 7.431 1.930 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.423 8.742 0.090 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.467 9.815 1.222 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.178 10.027 -1.985 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.224 11.105 -0.846 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.072 11.210 -2.454 1.00 0.59 H new ATOM 532 N THR A 63 -6.155 6.794 4.165 1.00 0.34 N ATOM 533 CA THR A 63 -6.361 6.103 5.423 1.00 0.38 C ATOM 534 C THR A 63 -5.539 4.816 5.501 1.00 0.30 C ATOM 535 O THR A 63 -4.850 4.567 6.490 1.00 0.38 O ATOM 536 CB THR A 63 -7.851 5.760 5.599 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.658 6.888 5.228 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.153 5.369 7.036 1.00 0.66 C ATOM 0 H THR A 63 -6.965 6.773 3.545 1.00 0.34 H new ATOM 0 HA THR A 63 -6.034 6.770 6.220 1.00 0.38 H new ATOM 0 HB THR A 63 -8.085 4.913 4.953 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.605 6.664 5.340 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.212 5.132 7.133 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.559 4.497 7.308 1.00 0.66 H new ATOM 0 HG23 THR A 63 -7.905 6.198 7.699 1.00 0.66 H new ATOM 546 N HIS A 64 -5.602 4.007 4.450 1.00 0.26 N ATOM 547 CA HIS A 64 -4.957 2.688 4.483 1.00 0.25 C ATOM 548 C HIS A 64 -3.541 2.721 3.931 1.00 0.25 C ATOM 549 O HIS A 64 -2.774 1.778 4.126 1.00 0.54 O ATOM 550 CB HIS A 64 -5.772 1.645 3.730 1.00 0.33 C ATOM 551 CG HIS A 64 -7.051 1.293 4.407 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.120 0.816 5.697 1.00 0.86 N ATOM 553 CD2 HIS A 64 -8.318 1.352 3.963 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.379 0.595 6.013 1.00 0.83 C ATOM 555 NE2 HIS A 64 -9.131 0.909 4.977 1.00 0.68 N ATOM 0 H HIS A 64 -6.082 4.229 3.578 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.906 2.407 5.535 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.990 2.018 2.729 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.172 0.743 3.611 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.321 0.659 6.311 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -8.638 1.687 2.987 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.735 0.220 6.961 1.00 0.83 H new ATOM 564 N LEU A 65 -3.197 3.807 3.260 1.00 0.32 N ATOM 565 CA LEU A 65 -1.909 3.918 2.583 1.00 0.22 C ATOM 566 C LEU A 65 -0.747 3.758 3.570 1.00 0.20 C ATOM 567 O LEU A 65 0.261 3.129 3.253 1.00 0.24 O ATOM 568 CB LEU A 65 -1.808 5.263 1.847 1.00 0.29 C ATOM 569 CG LEU A 65 -2.603 5.381 0.524 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.128 4.362 -0.491 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.095 5.217 0.752 1.00 0.99 C ATOM 0 H LEU A 65 -3.792 4.630 3.167 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.841 3.111 1.853 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.148 6.049 2.522 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.757 5.458 1.634 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.421 6.382 0.133 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.704 4.468 -1.410 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.072 4.526 -0.704 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.266 3.358 -0.090 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.620 5.306 -0.199 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.291 4.236 1.185 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.446 5.991 1.434 1.00 0.99 H new ATOM 583 N GLU A 66 -0.906 4.312 4.767 1.00 0.30 N ATOM 584 CA GLU A 66 0.121 4.227 5.805 1.00 0.40 C ATOM 585 C GLU A 66 0.410 2.771 6.190 1.00 0.38 C ATOM 586 O GLU A 66 1.570 2.347 6.234 1.00 0.38 O ATOM 587 CB GLU A 66 -0.323 5.015 7.038 1.00 0.53 C ATOM 588 CG GLU A 66 0.736 5.117 8.121 1.00 0.88 C ATOM 589 CD GLU A 66 0.216 5.790 9.372 1.00 1.12 C ATOM 590 OE1 GLU A 66 -0.244 5.076 10.289 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.258 7.035 9.449 1.00 1.75 O ATOM 0 H GLU A 66 -1.740 4.828 5.046 1.00 0.30 H new ATOM 0 HA GLU A 66 1.040 4.657 5.407 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.611 6.020 6.730 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.212 4.544 7.457 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.094 4.118 8.371 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.590 5.676 7.739 1.00 0.88 H new ATOM 598 N ARG A 67 -0.649 2.008 6.459 1.00 0.42 N ATOM 599 CA ARG A 67 -0.513 0.601 6.839 1.00 0.44 C ATOM 600 C ARG A 67 0.138 -0.202 5.721 1.00 0.39 C ATOM 601 O ARG A 67 0.916 -1.124 5.973 1.00 0.40 O ATOM 602 CB ARG A 67 -1.884 -0.003 7.166 1.00 0.54 C ATOM 603 CG ARG A 67 -1.873 -1.523 7.277 1.00 0.74 C ATOM 604 CD ARG A 67 -3.272 -2.077 7.474 1.00 0.86 C ATOM 605 NE ARG A 67 -3.342 -3.504 7.154 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.286 -4.326 7.610 1.00 1.45 C ATOM 607 NH1 ARG A 67 -5.207 -3.882 8.455 1.00 1.71 N ATOM 608 NH2 ARG A 67 -4.308 -5.597 7.220 1.00 2.07 N ATOM 0 H ARG A 67 -1.612 2.341 6.421 1.00 0.42 H new ATOM 0 HA ARG A 67 0.121 0.556 7.724 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -2.242 0.418 8.105 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.594 0.291 6.393 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -1.435 -1.951 6.376 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -1.241 -1.823 8.113 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -3.583 -1.921 8.507 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.972 -1.528 6.844 1.00 0.86 H new ATOM 0 HE ARG A 67 -2.623 -3.893 6.544 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -5.194 -2.908 8.758 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.928 -4.514 8.802 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -3.602 -5.944 6.571 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -5.031 -6.225 7.570 1.00 2.07 H new ATOM 622 N LEU A 68 -0.170 0.164 4.490 1.00 0.35 N ATOM 623 CA LEU A 68 0.282 -0.596 3.338 1.00 0.34 C ATOM 624 C LEU A 68 1.786 -0.481 3.125 1.00 0.31 C ATOM 625 O LEU A 68 2.383 -1.332 2.479 1.00 0.40 O ATOM 626 CB LEU A 68 -0.498 -0.179 2.096 1.00 0.33 C ATOM 627 CG LEU A 68 -1.931 -0.702 2.059 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.626 -0.257 0.791 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.947 -2.218 2.174 1.00 0.61 C ATOM 0 H LEU A 68 -0.732 0.984 4.262 1.00 0.35 H new ATOM 0 HA LEU A 68 0.083 -1.650 3.533 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.518 0.909 2.040 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.031 -0.534 1.211 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.472 -0.287 2.910 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.647 -0.639 0.782 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.646 0.832 0.750 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -2.087 -0.643 -0.074 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.977 -2.574 2.146 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.390 -2.652 1.343 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.485 -2.516 3.115 1.00 0.61 H new ATOM 641 N LEU A 69 2.409 0.534 3.702 1.00 0.27 N ATOM 642 CA LEU A 69 3.866 0.614 3.673 1.00 0.24 C ATOM 643 C LEU A 69 4.427 -0.284 4.759 1.00 0.25 C ATOM 644 O LEU A 69 5.417 -1.003 4.572 1.00 0.26 O ATOM 645 CB LEU A 69 4.374 2.049 3.871 1.00 0.25 C ATOM 646 CG LEU A 69 4.416 2.931 2.617 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.785 3.551 2.457 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.063 2.147 1.369 1.00 0.30 C ATOM 0 H LEU A 69 1.943 1.301 4.187 1.00 0.27 H new ATOM 0 HA LEU A 69 4.204 0.287 2.690 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.741 2.537 4.612 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.379 2.002 4.291 1.00 0.25 H new ATOM 0 HG LEU A 69 3.672 3.717 2.746 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.800 4.174 1.563 1.00 0.25 H new ATOM 0 HD12 LEU A 69 6.011 4.163 3.330 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.532 2.763 2.363 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.104 2.806 0.502 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.774 1.331 1.239 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.057 1.739 1.468 1.00 0.30 H new ATOM 660 N ASP A 70 3.727 -0.310 5.873 1.00 0.29 N ATOM 661 CA ASP A 70 4.195 -1.046 7.021 1.00 0.35 C ATOM 662 C ASP A 70 4.158 -2.527 6.699 1.00 0.38 C ATOM 663 O ASP A 70 5.041 -3.280 7.100 1.00 0.43 O ATOM 664 CB ASP A 70 3.347 -0.718 8.246 1.00 0.43 C ATOM 665 CG ASP A 70 3.933 -1.276 9.524 1.00 0.91 C ATOM 666 OD1 ASP A 70 3.553 -2.389 9.923 1.00 1.62 O ATOM 667 OD2 ASP A 70 4.772 -0.591 10.145 1.00 1.56 O ATOM 0 H ASP A 70 2.836 0.169 6.005 1.00 0.29 H new ATOM 0 HA ASP A 70 5.221 -0.761 7.254 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.250 0.364 8.337 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.343 -1.118 8.106 1.00 0.43 H new ATOM 672 N GLU A 71 3.134 -2.941 5.951 1.00 0.42 N ATOM 673 CA GLU A 71 3.062 -4.283 5.397 1.00 0.50 C ATOM 674 C GLU A 71 4.054 -4.502 4.252 1.00 0.45 C ATOM 675 O GLU A 71 4.873 -5.419 4.314 1.00 0.48 O ATOM 676 CB GLU A 71 1.644 -4.538 4.888 1.00 0.61 C ATOM 677 CG GLU A 71 0.732 -5.202 5.902 1.00 0.94 C ATOM 678 CD GLU A 71 1.227 -6.575 6.305 1.00 1.47 C ATOM 679 OE1 GLU A 71 1.252 -7.480 5.443 1.00 2.14 O ATOM 680 OE2 GLU A 71 1.596 -6.757 7.479 1.00 2.18 O ATOM 0 H GLU A 71 2.335 -2.352 5.716 1.00 0.42 H new ATOM 0 HA GLU A 71 3.324 -4.980 6.193 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.202 -3.589 4.585 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.696 -5.164 3.997 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.656 -4.571 6.787 1.00 0.94 H new ATOM 0 HG3 GLU A 71 -0.271 -5.288 5.484 1.00 0.94 H new ATOM 687 N GLU A 72 3.982 -3.661 3.215 1.00 0.43 N ATOM 688 CA GLU A 72 4.783 -3.865 2.000 1.00 0.45 C ATOM 689 C GLU A 72 6.271 -3.775 2.309 1.00 0.42 C ATOM 690 O GLU A 72 7.046 -4.655 1.952 1.00 0.47 O ATOM 691 CB GLU A 72 4.424 -2.839 0.922 1.00 0.46 C ATOM 692 CG GLU A 72 5.232 -2.992 -0.362 1.00 0.57 C ATOM 693 CD GLU A 72 4.867 -4.237 -1.151 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.931 -5.345 -0.586 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.532 -4.108 -2.345 1.00 1.33 O ATOM 0 H GLU A 72 3.382 -2.837 3.191 1.00 0.43 H new ATOM 0 HA GLU A 72 4.556 -4.863 1.626 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.364 -2.928 0.686 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.579 -1.836 1.321 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.077 -2.114 -0.989 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.293 -3.024 -0.115 1.00 0.57 H new ATOM 702 N ILE A 73 6.646 -2.730 3.027 1.00 0.35 N ATOM 703 CA ILE A 73 8.040 -2.505 3.382 1.00 0.34 C ATOM 704 C ILE A 73 8.544 -3.686 4.187 1.00 0.40 C ATOM 705 O ILE A 73 9.668 -4.150 4.003 1.00 0.45 O ATOM 706 CB ILE A 73 8.220 -1.195 4.187 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.126 0.008 3.249 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.535 -1.179 4.954 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.299 1.339 3.943 1.00 0.27 C ATOM 0 H ILE A 73 6.003 -2.020 3.378 1.00 0.35 H new ATOM 0 HA ILE A 73 8.619 -2.405 2.464 1.00 0.34 H new ATOM 0 HB ILE A 73 7.418 -1.138 4.923 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.886 -0.088 2.473 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.157 -0.007 2.750 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.623 -0.243 5.506 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.559 -2.016 5.652 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.366 -1.267 4.254 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.220 2.144 3.212 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.524 1.458 4.700 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.279 1.377 4.419 1.00 0.27 H new ATOM 721 N SER A 74 7.682 -4.192 5.048 1.00 0.41 N ATOM 722 CA SER A 74 8.028 -5.350 5.869 1.00 0.49 C ATOM 723 C SER A 74 8.190 -6.625 5.019 1.00 0.54 C ATOM 724 O SER A 74 9.181 -7.352 5.149 1.00 0.60 O ATOM 725 CB SER A 74 6.965 -5.570 6.947 1.00 0.52 C ATOM 726 OG SER A 74 7.391 -6.516 7.914 1.00 1.34 O ATOM 0 H SER A 74 6.742 -3.827 5.201 1.00 0.41 H new ATOM 0 HA SER A 74 8.987 -5.143 6.344 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.742 -4.623 7.438 1.00 0.52 H new ATOM 0 HB3 SER A 74 6.041 -5.914 6.483 1.00 0.52 H new ATOM 0 HG SER A 74 6.690 -6.632 8.589 1.00 1.34 H new ATOM 732 N ARG A 75 7.232 -6.878 4.130 1.00 0.55 N ATOM 733 CA ARG A 75 7.215 -8.131 3.370 1.00 0.63 C ATOM 734 C ARG A 75 8.312 -8.140 2.315 1.00 0.65 C ATOM 735 O ARG A 75 8.929 -9.173 2.065 1.00 0.72 O ATOM 736 CB ARG A 75 5.850 -8.387 2.721 1.00 0.74 C ATOM 737 CG ARG A 75 5.410 -7.305 1.758 1.00 0.76 C ATOM 738 CD ARG A 75 4.017 -7.564 1.203 1.00 1.25 C ATOM 739 NE ARG A 75 3.956 -8.776 0.386 1.00 1.84 N ATOM 740 CZ ARG A 75 4.037 -8.787 -0.947 1.00 2.73 C ATOM 741 NH1 ARG A 75 4.281 -7.668 -1.621 1.00 3.05 N ATOM 742 NH2 ARG A 75 3.899 -9.929 -1.607 1.00 3.67 N ATOM 0 H ARG A 75 6.464 -6.241 3.918 1.00 0.55 H new ATOM 0 HA ARG A 75 7.402 -8.938 4.078 1.00 0.63 H new ATOM 0 HB2 ARG A 75 5.885 -9.338 2.190 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.100 -8.487 3.505 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.424 -6.341 2.266 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.122 -7.242 0.935 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.311 -7.650 2.029 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.704 -6.709 0.603 1.00 1.25 H new ATOM 0 HE ARG A 75 3.844 -9.670 0.865 1.00 1.84 H new ATOM 0 HH11 ARG A 75 4.409 -6.789 -1.120 1.00 3.05 H new ATOM 0 HH12 ARG A 75 4.341 -7.689 -2.639 1.00 3.05 H new ATOM 0 HH21 ARG A 75 3.731 -10.796 -1.097 1.00 3.67 H new ATOM 0 HH22 ARG A 75 3.960 -9.940 -2.625 1.00 3.67 H new ATOM 756 N VAL A 76 8.564 -6.978 1.718 1.00 0.62 N ATOM 757 CA VAL A 76 9.630 -6.827 0.733 1.00 0.67 C ATOM 758 C VAL A 76 10.970 -7.251 1.322 1.00 0.71 C ATOM 759 O VAL A 76 11.810 -7.821 0.630 1.00 0.84 O ATOM 760 CB VAL A 76 9.723 -5.367 0.223 1.00 0.61 C ATOM 761 CG1 VAL A 76 10.994 -5.137 -0.582 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.506 -5.022 -0.619 1.00 0.58 C ATOM 0 H VAL A 76 8.040 -6.122 1.901 1.00 0.62 H new ATOM 0 HA VAL A 76 9.389 -7.473 -0.111 1.00 0.67 H new ATOM 0 HB VAL A 76 9.753 -4.714 1.095 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.026 -4.102 -0.924 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.863 -5.339 0.044 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.005 -5.804 -1.444 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.586 -3.993 -0.970 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.454 -5.694 -1.475 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.604 -5.131 -0.017 1.00 0.58 H new ATOM 772 N ARG A 77 11.137 -7.036 2.619 1.00 0.65 N ATOM 773 CA ARG A 77 12.406 -7.315 3.267 1.00 0.73 C ATOM 774 C ARG A 77 12.687 -8.813 3.289 1.00 0.86 C ATOM 775 O ARG A 77 13.836 -9.232 3.169 1.00 0.98 O ATOM 776 CB ARG A 77 12.429 -6.743 4.684 1.00 0.75 C ATOM 777 CG ARG A 77 12.374 -5.225 4.716 1.00 0.81 C ATOM 778 CD ARG A 77 12.339 -4.694 6.136 1.00 0.84 C ATOM 779 NE ARG A 77 13.555 -5.020 6.878 1.00 1.39 N ATOM 780 CZ ARG A 77 13.865 -4.493 8.061 1.00 1.71 C ATOM 781 NH1 ARG A 77 13.041 -3.628 8.640 1.00 1.45 N ATOM 782 NH2 ARG A 77 14.995 -4.834 8.668 1.00 2.73 N ATOM 0 H ARG A 77 10.413 -6.671 3.238 1.00 0.65 H new ATOM 0 HA ARG A 77 13.193 -6.830 2.689 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.584 -7.143 5.244 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.334 -7.078 5.190 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.242 -4.819 4.197 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.491 -4.882 4.177 1.00 0.81 H new ATOM 0 HD2 ARG A 77 12.208 -3.612 6.114 1.00 0.84 H new ATOM 0 HD3 ARG A 77 11.476 -5.109 6.656 1.00 0.84 H new ATOM 0 HE ARG A 77 14.204 -5.690 6.466 1.00 1.39 H new ATOM 0 HH11 ARG A 77 12.170 -3.367 8.179 1.00 1.45 H new ATOM 0 HH12 ARG A 77 13.279 -3.225 9.546 1.00 1.45 H new ATOM 0 HH21 ARG A 77 15.629 -5.501 8.228 1.00 2.73 H new ATOM 0 HH22 ARG A 77 15.230 -4.429 9.574 1.00 2.73 H new ATOM 796 N LYS A 78 11.641 -9.626 3.414 1.00 0.90 N ATOM 797 CA LYS A 78 11.812 -11.072 3.367 1.00 1.08 C ATOM 798 C LYS A 78 11.785 -11.548 1.929 1.00 1.11 C ATOM 799 O LYS A 78 12.557 -12.420 1.536 1.00 1.32 O ATOM 800 CB LYS A 78 10.709 -11.789 4.143 1.00 1.13 C ATOM 801 CG LYS A 78 10.702 -11.496 5.627 1.00 1.35 C ATOM 802 CD LYS A 78 9.855 -10.282 5.929 1.00 2.01 C ATOM 803 CE LYS A 78 10.018 -9.844 7.376 1.00 2.67 C ATOM 804 NZ LYS A 78 9.117 -8.717 7.719 1.00 3.44 N ATOM 0 H LYS A 78 10.680 -9.312 3.547 1.00 0.90 H new ATOM 0 HA LYS A 78 12.773 -11.306 3.825 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.743 -11.506 3.724 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.818 -12.864 3.997 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.317 -12.358 6.171 1.00 1.35 H new ATOM 0 HG3 LYS A 78 11.722 -11.329 5.974 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.136 -9.465 5.265 1.00 2.01 H new ATOM 0 HD3 LYS A 78 8.807 -10.508 5.730 1.00 2.01 H new ATOM 0 HE2 LYS A 78 9.812 -10.687 8.036 1.00 2.67 H new ATOM 0 HE3 LYS A 78 11.052 -9.548 7.551 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 9.447 -8.263 8.594 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 9.121 -8.022 6.946 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 8.151 -9.075 7.858 1.00 3.44 H new ATOM 999 N THR B 38 -11.598 -6.650 6.200 1.00 0.97 N ATOM 1000 CA THR B 38 -13.035 -6.839 6.123 1.00 0.84 C ATOM 1001 C THR B 38 -13.624 -5.899 5.069 1.00 0.72 C ATOM 1002 O THR B 38 -12.892 -5.069 4.527 1.00 0.66 O ATOM 1003 CB THR B 38 -13.671 -6.573 7.501 1.00 0.79 C ATOM 1004 OG1 THR B 38 -13.263 -5.288 7.989 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.258 -7.646 8.497 1.00 0.95 C ATOM 0 HA THR B 38 -13.251 -7.867 5.833 1.00 0.84 H new ATOM 0 HB THR B 38 -14.755 -6.593 7.388 1.00 0.79 H new ATOM 0 HG1 THR B 38 -12.361 -5.086 7.664 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.717 -7.441 9.464 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.587 -8.621 8.139 1.00 0.95 H new ATOM 0 HG23 THR B 38 -12.173 -7.646 8.603 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.924 -6.006 4.730 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.549 -5.087 3.771 1.00 0.70 C ATOM 1015 C PRO B 39 -15.313 -3.623 4.135 1.00 0.62 C ATOM 1016 O PRO B 39 -15.079 -2.789 3.261 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.032 -5.430 3.863 1.00 0.78 C ATOM 1018 CG PRO B 39 -17.056 -6.857 4.287 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.874 -7.034 5.201 1.00 0.83 C ATOM 0 HA PRO B 39 -15.136 -5.201 2.769 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.543 -4.792 4.584 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.532 -5.292 2.904 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -17.987 -7.096 4.801 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -16.987 -7.522 3.426 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -16.147 -6.882 6.245 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.453 -8.036 5.124 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.348 -3.320 5.433 1.00 0.65 N ATOM 1028 CA ASP B 40 -15.084 -1.966 5.921 1.00 0.64 C ATOM 1029 C ASP B 40 -13.701 -1.506 5.480 1.00 0.57 C ATOM 1030 O ASP B 40 -13.500 -0.350 5.103 1.00 0.57 O ATOM 1031 CB ASP B 40 -15.171 -1.913 7.450 1.00 0.72 C ATOM 1032 CG ASP B 40 -16.520 -2.353 7.979 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -17.413 -1.497 8.142 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -16.695 -3.563 8.235 1.00 2.16 O ATOM 0 H ASP B 40 -15.557 -3.996 6.167 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.840 -1.303 5.499 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.395 -2.549 7.875 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -14.969 -0.896 7.785 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.753 -2.432 5.522 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.390 -2.175 5.082 1.00 0.54 C ATOM 1041 C TYR B 41 -11.378 -1.794 3.603 1.00 0.46 C ATOM 1042 O TYR B 41 -10.608 -0.928 3.184 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.526 -3.413 5.328 1.00 0.61 C ATOM 1044 CG TYR B 41 -9.043 -3.203 5.125 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.457 -3.406 3.886 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.227 -2.818 6.181 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.099 -3.232 3.700 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.870 -2.637 6.003 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.310 -2.848 4.762 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.957 -2.671 4.583 1.00 0.82 O ATOM 0 H TYR B 41 -12.908 -3.381 5.862 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.979 -1.343 5.653 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.693 -3.758 6.348 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.860 -4.210 4.663 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.073 -3.706 3.051 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.661 -2.658 7.157 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.659 -3.396 2.728 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -6.250 -2.331 6.833 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.630 -3.305 3.910 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.274 -2.402 2.829 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.327 -2.160 1.393 1.00 0.39 C ATOM 1062 C LEU B 42 -13.099 -0.882 1.084 1.00 0.36 C ATOM 1063 O LEU B 42 -12.778 -0.175 0.136 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.971 -3.336 0.653 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.152 -3.121 -0.856 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.807 -2.955 -1.542 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.925 -4.268 -1.482 1.00 0.48 C ATOM 0 H LEU B 42 -12.970 -3.063 3.173 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.299 -2.049 1.047 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.360 -4.225 0.809 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.946 -3.538 1.097 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.727 -2.206 -0.995 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.960 -2.804 -2.611 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.289 -2.092 -1.124 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.205 -3.850 -1.385 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.039 -4.090 -2.551 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.383 -5.201 -1.325 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.909 -4.339 -1.019 1.00 0.48 H new ATOM 1079 N MET B 43 -14.091 -0.563 1.910 1.00 0.39 N ATOM 1080 CA MET B 43 -14.942 0.591 1.648 1.00 0.40 C ATOM 1081 C MET B 43 -14.141 1.859 1.873 1.00 0.36 C ATOM 1082 O MET B 43 -14.308 2.865 1.181 1.00 0.36 O ATOM 1083 CB MET B 43 -16.178 0.590 2.555 1.00 0.47 C ATOM 1084 CG MET B 43 -17.077 -0.632 2.411 1.00 0.63 C ATOM 1085 SD MET B 43 -17.654 -0.909 0.721 1.00 0.85 S ATOM 1086 CE MET B 43 -16.505 -2.170 0.164 1.00 0.54 C ATOM 0 H MET B 43 -14.323 -1.081 2.757 1.00 0.39 H new ATOM 0 HA MET B 43 -15.286 0.542 0.615 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.850 0.662 3.592 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.766 1.483 2.344 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.534 -1.514 2.750 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.940 -0.517 3.067 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.015 -1.837 -0.751 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.754 -2.344 0.935 1.00 0.54 H new ATOM 0 HE3 MET B 43 -17.047 -3.096 -0.030 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.246 1.784 2.843 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.358 2.890 3.144 1.00 0.35 C ATOM 1098 C GLN B 44 -11.297 3.006 2.057 1.00 0.30 C ATOM 1099 O GLN B 44 -10.917 4.106 1.668 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.713 2.704 4.516 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.698 2.794 5.670 1.00 0.52 C ATOM 1102 CD GLN B 44 -12.081 2.389 6.995 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -11.520 3.215 7.714 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -12.189 1.113 7.328 1.00 0.75 N ATOM 0 H GLN B 44 -13.116 0.965 3.437 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.936 3.814 3.170 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.218 1.733 4.547 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.940 3.460 4.650 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.073 3.815 5.745 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.556 2.154 5.462 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.662 0.461 6.702 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.799 0.781 8.210 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.843 1.857 1.548 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.890 1.826 0.442 1.00 0.25 C ATOM 1115 C LEU B 45 -10.479 2.448 -0.811 1.00 0.23 C ATOM 1116 O LEU B 45 -9.760 3.052 -1.608 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.471 0.389 0.132 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.270 -0.133 0.915 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.007 -1.589 0.573 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.041 0.705 0.607 1.00 0.31 C ATOM 0 H LEU B 45 -11.122 0.936 1.887 1.00 0.27 H new ATOM 0 HA LEU B 45 -9.019 2.404 0.750 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.320 -0.267 0.324 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.247 0.317 -0.932 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.491 -0.059 1.980 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.147 -1.946 1.140 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.883 -2.186 0.827 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.802 -1.681 -0.494 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.190 0.324 1.171 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.822 0.652 -0.460 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.228 1.741 0.888 1.00 0.31 H new ATOM 1132 N MET B 46 -11.789 2.308 -0.977 1.00 0.26 N ATOM 1133 CA MET B 46 -12.457 2.863 -2.141 1.00 0.27 C ATOM 1134 C MET B 46 -12.302 4.366 -2.158 1.00 0.26 C ATOM 1135 O MET B 46 -12.159 4.969 -3.218 1.00 0.40 O ATOM 1136 CB MET B 46 -13.944 2.515 -2.172 1.00 0.33 C ATOM 1137 CG MET B 46 -14.237 1.030 -2.281 1.00 0.38 C ATOM 1138 SD MET B 46 -15.961 0.698 -2.692 1.00 0.49 S ATOM 1139 CE MET B 46 -16.804 1.743 -1.504 1.00 0.49 C ATOM 0 H MET B 46 -12.402 1.819 -0.325 1.00 0.26 H new ATOM 0 HA MET B 46 -11.987 2.423 -3.021 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.414 2.900 -1.267 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.407 3.027 -3.015 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.593 0.590 -3.043 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.991 0.544 -1.337 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.750 1.282 -1.220 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.180 1.864 -0.619 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.995 2.719 -1.950 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.296 4.980 -0.981 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.176 6.420 -0.899 1.00 0.30 C ATOM 1151 C ASN B 47 -10.710 6.825 -0.949 1.00 0.26 C ATOM 1152 O ASN B 47 -10.386 7.934 -1.361 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.819 6.943 0.389 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.907 8.458 0.422 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.079 9.106 -0.610 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -12.794 9.031 1.608 1.00 1.43 N ATOM 0 H ASN B 47 -12.372 4.504 -0.082 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.698 6.859 -1.750 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.820 6.522 0.488 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.241 6.597 1.246 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -12.849 10.046 1.691 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -12.652 8.458 2.440 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.815 5.907 -0.578 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.386 6.199 -0.574 1.00 0.25 C ATOM 1165 C ASP B 48 -7.897 6.346 -2.007 1.00 0.25 C ATOM 1166 O ASP B 48 -7.225 7.318 -2.361 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.590 5.076 0.113 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.688 5.081 1.630 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -7.547 4.000 2.245 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.875 6.160 2.217 1.00 0.74 O ATOM 0 H ASP B 48 -10.055 4.962 -0.279 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.229 7.125 -0.021 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.944 4.115 -0.260 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.542 5.162 -0.172 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.266 5.369 -2.831 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.906 5.359 -4.243 1.00 0.27 C ATOM 1177 C LYS B 49 -8.601 6.508 -4.976 1.00 0.33 C ATOM 1178 O LYS B 49 -8.146 6.960 -6.021 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.296 4.013 -4.870 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.288 3.483 -5.884 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.083 4.449 -7.037 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.262 4.450 -7.995 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.117 5.495 -9.042 1.00 2.10 N ATOM 0 H LYS B 49 -8.821 4.565 -2.538 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.828 5.493 -4.335 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.418 3.276 -4.076 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.265 4.119 -5.358 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.334 3.303 -5.388 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.632 2.524 -6.271 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -6.934 5.455 -6.645 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.176 4.180 -7.578 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -8.349 3.471 -8.467 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -9.184 4.618 -7.438 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -8.896 5.411 -9.726 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -8.144 6.436 -8.600 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -7.209 5.370 -9.534 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.678 7.007 -4.397 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.433 8.093 -5.007 1.00 0.37 C ATOM 1199 C LYS B 50 -9.805 9.428 -4.640 1.00 0.39 C ATOM 1200 O LYS B 50 -9.724 10.339 -5.466 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.891 8.062 -4.555 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.856 7.519 -5.601 1.00 1.14 C ATOM 1203 CD LYS B 50 -12.497 6.109 -6.040 1.00 1.67 C ATOM 1204 CE LYS B 50 -13.521 5.559 -7.017 1.00 2.35 C ATOM 1205 NZ LYS B 50 -13.185 4.184 -7.466 1.00 3.05 N ATOM 0 H LYS B 50 -10.051 6.680 -3.506 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.406 7.966 -6.089 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -11.968 7.453 -3.654 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.197 9.072 -4.283 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -13.868 7.525 -5.196 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.856 8.178 -6.469 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -11.511 6.110 -6.505 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -12.437 5.458 -5.168 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -14.504 5.556 -6.547 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -13.584 6.217 -7.884 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -13.911 3.849 -8.131 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -12.258 4.190 -7.938 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -13.150 3.549 -6.643 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.377 9.537 -3.386 1.00 0.38 N ATOM 1220 CA LEU B 51 -8.642 10.703 -2.919 1.00 0.44 C ATOM 1221 C LEU B 51 -7.408 10.949 -3.772 1.00 0.43 C ATOM 1222 O LEU B 51 -7.196 12.058 -4.255 1.00 0.47 O ATOM 1223 CB LEU B 51 -8.220 10.529 -1.455 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.359 10.541 -0.434 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -8.838 10.204 0.954 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -10.046 11.895 -0.426 1.00 1.22 C ATOM 0 H LEU B 51 -9.529 8.825 -2.672 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.307 11.563 -3.002 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -7.681 9.586 -1.360 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -7.519 11.324 -1.200 1.00 0.48 H new ATOM 0 HG LEU B 51 -10.087 9.782 -0.721 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.663 10.218 1.666 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -8.386 9.212 0.942 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.091 10.940 1.251 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -10.854 11.889 0.305 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -9.324 12.668 -0.162 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -10.454 12.102 -1.415 1.00 1.22 H new ATOM 1238 N MET B 52 -6.612 9.906 -3.988 1.00 0.39 N ATOM 1239 CA MET B 52 -5.339 10.057 -4.682 1.00 0.37 C ATOM 1240 C MET B 52 -5.539 10.430 -6.151 1.00 0.41 C ATOM 1241 O MET B 52 -4.707 11.117 -6.739 1.00 0.47 O ATOM 1242 CB MET B 52 -4.504 8.774 -4.552 1.00 0.33 C ATOM 1243 CG MET B 52 -5.131 7.548 -5.192 1.00 1.29 C ATOM 1244 SD MET B 52 -4.184 6.046 -4.878 1.00 1.25 S ATOM 1245 CE MET B 52 -4.279 5.943 -3.090 1.00 0.32 C ATOM 0 H MET B 52 -6.825 8.953 -3.694 1.00 0.39 H new ATOM 0 HA MET B 52 -4.796 10.876 -4.210 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.527 8.944 -5.003 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.336 8.570 -3.494 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.144 7.421 -4.811 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.212 7.705 -6.268 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.273 5.957 -2.671 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.844 6.792 -2.706 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.778 5.017 -2.805 1.00 0.32 H new ATOM 1255 N SER B 53 -6.648 9.997 -6.741 1.00 0.41 N ATOM 1256 CA SER B 53 -6.946 10.334 -8.124 1.00 0.47 C ATOM 1257 C SER B 53 -7.584 11.720 -8.230 1.00 0.51 C ATOM 1258 O SER B 53 -7.730 12.266 -9.324 1.00 0.62 O ATOM 1259 CB SER B 53 -7.856 9.270 -8.738 1.00 0.52 C ATOM 1260 OG SER B 53 -8.916 8.932 -7.864 1.00 1.15 O ATOM 0 H SER B 53 -7.350 9.415 -6.284 1.00 0.41 H new ATOM 0 HA SER B 53 -6.009 10.359 -8.681 1.00 0.47 H new ATOM 0 HB2 SER B 53 -8.262 9.636 -9.681 1.00 0.52 H new ATOM 0 HB3 SER B 53 -7.273 8.378 -8.967 1.00 0.52 H new ATOM 0 HG SER B 53 -8.620 8.231 -7.247 1.00 1.15 H new ATOM 1266 N SER B 54 -7.951 12.291 -7.091 1.00 0.49 N ATOM 1267 CA SER B 54 -8.542 13.621 -7.058 1.00 0.54 C ATOM 1268 C SER B 54 -7.485 14.648 -6.661 1.00 0.53 C ATOM 1269 O SER B 54 -7.721 15.856 -6.703 1.00 0.53 O ATOM 1270 CB SER B 54 -9.716 13.649 -6.071 1.00 0.60 C ATOM 1271 OG SER B 54 -10.449 14.861 -6.166 1.00 1.30 O ATOM 0 H SER B 54 -7.849 11.852 -6.176 1.00 0.49 H new ATOM 0 HA SER B 54 -8.917 13.872 -8.050 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.378 12.806 -6.268 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.341 13.529 -5.055 1.00 0.60 H new ATOM 0 HG SER B 54 -9.829 15.610 -6.289 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.321 14.146 -6.278 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.214 14.992 -5.859 1.00 0.57 C ATOM 1279 C LEU B 55 -4.184 15.137 -6.974 1.00 0.65 C ATOM 1280 O LEU B 55 -3.462 14.191 -7.286 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.546 14.410 -4.612 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.413 14.378 -3.353 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.697 13.637 -2.238 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.770 15.788 -2.909 1.00 0.65 C ATOM 0 H LEU B 55 -6.118 13.147 -6.249 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.614 15.979 -5.627 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.223 13.393 -4.835 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.648 14.990 -4.399 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.337 13.849 -3.586 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.326 13.622 -1.348 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.492 12.614 -2.554 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.758 14.142 -2.010 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.387 15.742 -2.012 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -4.857 16.344 -2.693 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.322 16.291 -3.703 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.098 16.327 -7.594 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.091 16.614 -8.624 1.00 0.95 C ATOM 1298 C PRO B 56 -1.677 16.642 -8.047 1.00 0.88 C ATOM 1299 O PRO B 56 -0.690 16.606 -8.781 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.479 18.004 -9.146 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.867 18.242 -8.654 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.988 17.475 -7.370 1.00 0.98 C ATOM 0 HA PRO B 56 -3.078 15.849 -9.400 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.795 18.767 -8.775 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.437 18.040 -10.235 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -5.047 19.305 -8.492 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -5.603 17.902 -9.383 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.674 18.070 -6.512 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -6.015 17.161 -7.181 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.590 16.704 -6.724 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.305 16.708 -6.038 1.00 0.62 C ATOM 1312 C ASN B 57 0.191 15.281 -5.812 1.00 0.57 C ATOM 1313 O ASN B 57 1.389 15.052 -5.628 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.389 17.470 -4.701 1.00 0.68 C ATOM 1315 CG ASN B 57 -1.481 16.969 -3.762 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -1.848 15.800 -3.772 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -2.008 17.862 -2.938 1.00 1.73 N ATOM 0 H ASN B 57 -2.398 16.752 -6.103 1.00 0.63 H new ATOM 0 HA ASN B 57 0.411 17.226 -6.675 1.00 0.62 H new ATOM 0 HB2 ASN B 57 0.573 17.397 -4.193 1.00 0.68 H new ATOM 0 HB3 ASN B 57 -0.560 18.526 -4.908 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -2.742 17.584 -2.286 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -1.680 18.828 -2.955 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.748 14.335 -5.829 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.437 12.924 -5.621 1.00 0.70 C ATOM 1326 C PHE B 58 0.620 12.443 -6.605 1.00 0.90 C ATOM 1327 O PHE B 58 1.523 11.699 -6.234 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.691 12.062 -5.734 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.446 10.618 -5.405 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.070 10.248 -4.125 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.596 9.633 -6.367 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.849 8.924 -3.809 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.373 8.305 -6.057 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.000 7.952 -4.774 1.00 0.69 C ATOM 0 H PHE B 58 -1.738 14.525 -5.986 1.00 0.62 H new ATOM 0 HA PHE B 58 -0.039 12.824 -4.611 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.456 12.456 -5.065 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.085 12.136 -6.748 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.948 11.005 -3.365 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -1.890 9.906 -7.370 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.558 8.649 -2.806 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.490 7.545 -6.815 1.00 1.15 H new ATOM 0 HZ PHE B 58 -0.827 6.915 -4.528 1.00 0.69 H new ATOM 1344 N SER B 59 0.503 12.857 -7.859 1.00 0.91 N ATOM 1345 CA SER B 59 1.536 12.586 -8.851 1.00 1.02 C ATOM 1346 C SER B 59 2.794 13.419 -8.571 1.00 1.10 C ATOM 1347 O SER B 59 3.236 14.217 -9.400 1.00 1.84 O ATOM 1348 CB SER B 59 0.988 12.866 -10.251 1.00 1.21 C ATOM 1349 OG SER B 59 0.207 14.051 -10.261 1.00 1.84 O ATOM 0 H SER B 59 -0.296 13.382 -8.214 1.00 0.91 H new ATOM 0 HA SER B 59 1.821 11.536 -8.791 1.00 1.02 H new ATOM 0 HB2 SER B 59 1.813 12.964 -10.956 1.00 1.21 H new ATOM 0 HB3 SER B 59 0.382 12.023 -10.584 1.00 1.21 H new ATOM 0 HG SER B 59 -0.132 14.212 -11.166 1.00 1.84 H new ATOM 1355 N GLY B 60 3.345 13.231 -7.382 1.00 0.91 N ATOM 1356 CA GLY B 60 4.531 13.944 -6.967 1.00 0.88 C ATOM 1357 C GLY B 60 5.121 13.332 -5.716 1.00 0.67 C ATOM 1358 O GLY B 60 6.339 13.243 -5.568 1.00 0.74 O ATOM 0 H GLY B 60 2.981 12.582 -6.684 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.270 13.926 -7.768 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.285 14.990 -6.784 1.00 0.88 H new ATOM 1362 N ILE B 61 4.246 12.914 -4.809 1.00 0.51 N ATOM 1363 CA ILE B 61 4.668 12.187 -3.620 1.00 0.54 C ATOM 1364 C ILE B 61 4.040 10.804 -3.612 1.00 0.73 C ATOM 1365 O ILE B 61 3.114 10.538 -4.377 1.00 1.81 O ATOM 1366 CB ILE B 61 4.316 12.909 -2.287 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.801 12.904 -1.985 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.855 14.333 -2.295 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.991 13.896 -2.784 1.00 0.79 C ATOM 0 H ILE B 61 3.240 13.067 -4.875 1.00 0.51 H new ATOM 0 HA ILE B 61 5.755 12.125 -3.673 1.00 0.54 H new ATOM 0 HB ILE B 61 4.797 12.347 -1.487 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.411 11.904 -2.173 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.656 13.109 -0.924 1.00 0.64 H new ATOM 0 HG21 ILE B 61 4.600 14.824 -1.356 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.939 14.311 -2.411 1.00 0.79 H new ATOM 0 HG23 ILE B 61 4.413 14.885 -3.124 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.941 13.818 -2.503 1.00 0.79 H new ATOM 0 HD12 ILE B 61 2.348 14.906 -2.580 1.00 0.79 H new ATOM 0 HD13 ILE B 61 2.099 13.681 -3.847 1.00 0.79 H new ATOM 1381 N PHE B 62 4.558 9.934 -2.756 1.00 0.58 N ATOM 1382 CA PHE B 62 4.000 8.598 -2.570 1.00 0.50 C ATOM 1383 C PHE B 62 4.079 7.786 -3.861 1.00 0.51 C ATOM 1384 O PHE B 62 3.079 7.582 -4.551 1.00 0.76 O ATOM 1385 CB PHE B 62 2.546 8.683 -2.098 1.00 0.50 C ATOM 1386 CG PHE B 62 2.338 9.488 -0.846 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.365 9.691 0.062 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.100 10.035 -0.579 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.154 10.423 1.210 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.887 10.770 0.566 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.909 10.964 1.459 1.00 0.59 C ATOM 0 H PHE B 62 5.372 10.131 -2.173 1.00 0.58 H new ATOM 0 HA PHE B 62 4.592 8.094 -1.807 1.00 0.50 H new ATOM 0 HB2 PHE B 62 1.944 9.116 -2.897 1.00 0.50 H new ATOM 0 HB3 PHE B 62 2.173 7.673 -1.930 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.341 9.271 -0.132 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.289 9.885 -1.276 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.960 10.573 1.913 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.087 11.194 0.761 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.740 11.540 2.357 1.00 0.59 H new ATOM 1401 N THR B 63 5.270 7.301 -4.156 1.00 0.35 N ATOM 1402 CA THR B 63 5.544 6.606 -5.400 1.00 0.38 C ATOM 1403 C THR B 63 4.865 5.236 -5.440 1.00 0.30 C ATOM 1404 O THR B 63 4.206 4.891 -6.420 1.00 0.38 O ATOM 1405 CB THR B 63 7.061 6.422 -5.581 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.735 7.645 -5.258 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.397 6.020 -7.008 1.00 0.66 C ATOM 0 H THR B 63 6.078 7.378 -3.538 1.00 0.35 H new ATOM 0 HA THR B 63 5.143 7.215 -6.210 1.00 0.38 H new ATOM 0 HB THR B 63 7.392 5.627 -4.912 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.701 7.526 -5.372 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.475 5.897 -7.107 1.00 0.66 H new ATOM 0 HG22 THR B 63 6.901 5.079 -7.247 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.056 6.795 -7.694 1.00 0.66 H new ATOM 1415 N HIS B 64 5.013 4.467 -4.366 1.00 0.26 N ATOM 1416 CA HIS B 64 4.513 3.086 -4.361 1.00 0.25 C ATOM 1417 C HIS B 64 3.102 2.980 -3.807 1.00 0.25 C ATOM 1418 O HIS B 64 2.440 1.956 -3.971 1.00 0.54 O ATOM 1419 CB HIS B 64 5.436 2.155 -3.584 1.00 0.34 C ATOM 1420 CG HIS B 64 6.745 1.921 -4.258 1.00 0.43 C ATOM 1421 ND1 HIS B 64 6.857 1.421 -5.534 1.00 0.86 N ATOM 1422 CD2 HIS B 64 8.001 2.125 -3.825 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.129 1.326 -5.857 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.851 1.745 -4.835 1.00 0.68 N ATOM 0 H HIS B 64 5.465 4.763 -3.501 1.00 0.26 H new ATOM 0 HA HIS B 64 4.492 2.775 -5.405 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.615 2.576 -2.595 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.935 1.198 -3.437 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.075 1.164 -6.137 1.00 0.86 H new ATOM 0 HD2 HIS B 64 8.289 2.516 -2.860 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.516 0.966 -6.799 1.00 0.83 H new ATOM 1433 N LEU B 65 2.647 4.041 -3.161 1.00 0.32 N ATOM 1434 CA LEU B 65 1.354 4.035 -2.481 1.00 0.22 C ATOM 1435 C LEU B 65 0.214 3.725 -3.455 1.00 0.21 C ATOM 1436 O LEU B 65 -0.718 2.999 -3.116 1.00 0.24 O ATOM 1437 CB LEU B 65 1.114 5.381 -1.779 1.00 0.29 C ATOM 1438 CG LEU B 65 1.893 5.618 -0.464 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.531 4.581 0.577 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.394 5.608 -0.695 1.00 0.99 C ATOM 0 H LEU B 65 3.154 4.923 -3.091 1.00 0.32 H new ATOM 0 HA LEU B 65 1.372 3.246 -1.730 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.368 6.180 -2.476 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.049 5.470 -1.566 1.00 0.29 H new ATOM 0 HG LEU B 65 1.607 6.604 -0.097 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.093 4.772 1.491 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.463 4.636 0.789 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.775 3.587 0.201 1.00 0.84 H new ATOM 0 HD21 LEU B 65 3.909 5.778 0.251 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.693 4.642 -1.103 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.659 6.397 -1.399 1.00 0.99 H new ATOM 1452 N GLU B 66 0.309 4.263 -4.668 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.705 4.038 -5.697 1.00 0.40 C ATOM 1454 C GLU B 66 -0.834 2.549 -6.040 1.00 0.38 C ATOM 1455 O GLU B 66 -1.938 1.999 -6.057 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.351 4.836 -6.953 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.422 4.795 -8.029 1.00 0.88 C ATOM 1458 CD GLU B 66 -0.990 5.496 -9.296 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -0.443 4.823 -10.196 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -1.179 6.727 -9.399 1.00 1.75 O ATOM 0 H GLU B 66 1.081 4.860 -4.964 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.665 4.375 -5.307 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.170 5.874 -6.673 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.581 4.450 -7.366 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -1.666 3.757 -8.256 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.332 5.261 -7.651 1.00 0.88 H new ATOM 1467 N ARG B 67 0.299 1.898 -6.301 1.00 0.42 N ATOM 1468 CA ARG B 67 0.312 0.475 -6.643 1.00 0.44 C ATOM 1469 C ARG B 67 -0.246 -0.362 -5.502 1.00 0.39 C ATOM 1470 O ARG B 67 -0.922 -1.368 -5.724 1.00 0.40 O ATOM 1471 CB ARG B 67 1.739 0.010 -6.961 1.00 0.54 C ATOM 1472 CG ARG B 67 1.889 -1.503 -7.030 1.00 0.74 C ATOM 1473 CD ARG B 67 3.340 -1.911 -7.221 1.00 0.86 C ATOM 1474 NE ARG B 67 3.561 -3.312 -6.864 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.586 -4.044 -7.302 1.00 1.45 C ATOM 1476 NH1 ARG B 67 5.452 -3.530 -8.168 1.00 1.71 N ATOM 1477 NH2 ARG B 67 4.739 -5.296 -6.876 1.00 2.07 N ATOM 0 H ARG B 67 1.221 2.333 -6.282 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.317 0.340 -7.523 1.00 0.44 H new ATOM 0 HB2 ARG B 67 2.048 0.441 -7.913 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.416 0.399 -6.201 1.00 0.54 H new ATOM 0 HG2 ARG B 67 1.502 -1.950 -6.114 1.00 0.74 H new ATOM 0 HG3 ARG B 67 1.289 -1.892 -7.853 1.00 0.74 H new ATOM 0 HD2 ARG B 67 3.629 -1.750 -8.260 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.980 -1.275 -6.610 1.00 0.86 H new ATOM 0 HE ARG B 67 2.888 -3.758 -6.240 1.00 1.08 H new ATOM 0 HH11 ARG B 67 5.334 -2.573 -8.500 1.00 1.71 H new ATOM 0 HH12 ARG B 67 6.235 -4.093 -8.501 1.00 1.71 H new ATOM 0 HH21 ARG B 67 4.072 -5.695 -6.215 1.00 2.07 H new ATOM 0 HH22 ARG B 67 5.523 -5.856 -7.211 1.00 2.07 H new ATOM 1491 N LEU B 68 0.024 0.067 -4.282 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.342 -0.704 -3.109 1.00 0.34 C ATOM 1493 C LEU B 68 -1.850 -0.745 -2.889 1.00 0.31 C ATOM 1494 O LEU B 68 -2.350 -1.637 -2.218 1.00 0.41 O ATOM 1495 CB LEU B 68 0.392 -0.175 -1.883 1.00 0.33 C ATOM 1496 CG LEU B 68 1.874 -0.541 -1.839 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.519 0.006 -0.583 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.052 -2.050 -1.916 1.00 0.62 C ATOM 0 H LEU B 68 0.497 0.948 -4.078 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.033 -1.735 -3.279 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.296 0.910 -1.855 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.094 -0.561 -0.987 1.00 0.33 H new ATOM 0 HG LEU B 68 2.366 -0.091 -2.702 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.575 -0.265 -0.569 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.422 1.092 -0.567 1.00 0.37 H new ATOM 0 HD13 LEU B 68 2.025 -0.415 0.293 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.114 -2.293 -1.883 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.546 -2.520 -1.072 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.624 -2.420 -2.848 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.579 0.184 -3.488 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.037 0.108 -3.453 1.00 0.24 C ATOM 1512 C LEU B 69 -4.500 -0.872 -4.514 1.00 0.25 C ATOM 1513 O LEU B 69 -5.411 -1.687 -4.306 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.696 1.473 -3.684 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.831 2.379 -2.453 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.258 2.855 -2.306 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.390 1.671 -1.189 1.00 0.30 C ATOM 0 H LEU B 69 -2.199 0.984 -3.994 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.336 -0.228 -2.460 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.121 2.007 -4.441 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.691 1.307 -4.098 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.178 3.238 -2.603 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.339 3.497 -1.429 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.548 3.416 -3.194 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.918 1.995 -2.189 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.500 2.343 -0.338 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.007 0.786 -1.034 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.346 1.373 -1.284 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.803 -0.854 -5.629 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.192 -1.666 -6.755 1.00 0.35 C ATOM 1531 C ASP B 70 -3.998 -3.127 -6.391 1.00 0.38 C ATOM 1532 O ASP B 70 -4.807 -3.976 -6.755 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.390 -1.284 -7.994 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.905 -1.951 -9.250 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -3.370 -3.006 -9.628 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.845 -1.410 -9.870 1.00 1.56 O ATOM 0 H ASP B 70 -2.968 -0.288 -5.777 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.242 -1.497 -6.992 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.421 -0.202 -8.123 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.345 -1.557 -7.844 1.00 0.43 H new ATOM 1541 N GLU B 71 -2.934 -3.410 -5.640 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.723 -4.722 -5.052 1.00 0.50 C ATOM 1543 C GLU B 71 -3.685 -5.011 -3.896 1.00 0.46 C ATOM 1544 O GLU B 71 -4.414 -5.999 -3.931 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.285 -4.814 -4.545 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.314 -5.405 -5.548 1.00 0.94 C ATOM 1547 CD GLU B 71 -0.663 -6.831 -5.918 1.00 1.47 C ATOM 1548 OE1 GLU B 71 -0.576 -7.716 -5.042 1.00 2.14 O ATOM 1549 OE2 GLU B 71 -1.015 -7.080 -7.088 1.00 2.18 O ATOM 0 H GLU B 71 -2.200 -2.735 -5.426 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.914 -5.465 -5.827 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -0.944 -3.816 -4.269 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.268 -5.419 -3.639 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.307 -4.790 -6.448 1.00 0.94 H new ATOM 0 HG3 GLU B 71 0.694 -5.376 -5.134 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.697 -4.141 -2.881 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.466 -4.398 -1.656 1.00 0.45 C ATOM 1558 C GLU B 72 -5.956 -4.475 -1.959 1.00 0.42 C ATOM 1559 O GLU B 72 -6.631 -5.423 -1.573 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.216 -3.313 -0.606 1.00 0.46 C ATOM 1561 CG GLU B 72 -5.000 -3.519 0.684 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.505 -4.696 1.506 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.460 -5.823 0.975 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.180 -4.500 2.693 1.00 1.33 O ATOM 0 H GLU B 72 -3.187 -3.258 -2.881 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.131 -5.356 -1.257 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.152 -3.283 -0.373 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.477 -2.343 -1.029 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.939 -2.613 1.287 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -6.052 -3.671 0.442 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.441 -3.496 -2.706 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.852 -3.430 -3.057 1.00 0.35 C ATOM 1573 C ILE B 73 -8.229 -4.679 -3.828 1.00 0.40 C ATOM 1574 O ILE B 73 -9.297 -5.253 -3.629 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.174 -2.169 -3.894 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.207 -0.939 -2.988 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.486 -2.314 -4.655 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.523 0.346 -3.718 1.00 0.27 C ATOM 0 H ILE B 73 -5.877 -2.734 -3.082 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.435 -3.368 -2.138 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.385 -2.046 -4.636 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.951 -1.095 -2.206 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.241 -0.837 -2.493 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.675 -1.407 -5.230 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.422 -3.166 -5.332 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.301 -2.472 -3.949 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.529 1.175 -3.010 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.766 0.526 -4.481 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.502 0.265 -4.190 1.00 0.27 H new ATOM 1590 N SER B 74 -7.318 -5.114 -4.681 1.00 0.41 N ATOM 1591 CA SER B 74 -7.543 -6.323 -5.470 1.00 0.49 C ATOM 1592 C SER B 74 -7.570 -7.586 -4.586 1.00 0.54 C ATOM 1593 O SER B 74 -8.488 -8.412 -4.685 1.00 0.60 O ATOM 1594 CB SER B 74 -6.466 -6.464 -6.547 1.00 0.52 C ATOM 1595 OG SER B 74 -6.799 -7.478 -7.479 1.00 1.34 O ATOM 0 H SER B 74 -6.422 -4.656 -4.848 1.00 0.41 H new ATOM 0 HA SER B 74 -8.519 -6.226 -5.945 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.343 -5.514 -7.068 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.509 -6.697 -6.079 1.00 0.52 H new ATOM 0 HG SER B 74 -6.094 -7.544 -8.156 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.586 -7.714 -3.700 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.430 -8.937 -2.907 1.00 0.63 C ATOM 1603 C ARG B 75 -7.515 -9.033 -1.842 1.00 0.65 C ATOM 1604 O ARG B 75 -8.015 -10.121 -1.557 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.038 -9.027 -2.266 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.718 -7.881 -1.330 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.306 -7.973 -0.771 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.114 -9.149 0.077 1.00 1.84 N ATOM 1609 CZ ARG B 75 -3.189 -9.132 1.410 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -3.552 -8.026 2.056 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -2.925 -10.235 2.099 1.00 3.67 N ATOM 0 H ARG B 75 -5.888 -6.994 -3.512 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.534 -9.781 -3.589 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -4.962 -9.965 -1.715 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.287 -9.059 -3.055 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.836 -6.937 -1.861 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.433 -7.875 -0.507 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -2.594 -8.004 -1.596 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.088 -7.074 -0.195 1.00 1.26 H new ATOM 0 HE ARG B 75 -2.910 -10.038 -0.379 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -3.776 -7.180 1.532 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -3.606 -8.025 3.075 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -2.666 -11.092 1.610 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -2.981 -10.226 3.117 1.00 3.67 H new ATOM 1625 N VAL B 76 -7.890 -7.889 -1.275 1.00 0.62 N ATOM 1626 CA VAL B 76 -8.965 -7.827 -0.290 1.00 0.67 C ATOM 1627 C VAL B 76 -10.254 -8.409 -0.860 1.00 0.71 C ATOM 1628 O VAL B 76 -11.024 -9.047 -0.151 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.214 -6.372 0.183 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.501 -6.258 0.988 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.040 -5.874 1.009 1.00 0.59 C ATOM 0 H VAL B 76 -7.462 -6.987 -1.483 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.654 -8.421 0.569 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.316 -5.751 -0.707 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.643 -5.224 1.303 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.345 -6.569 0.371 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.438 -6.900 1.867 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.231 -4.851 1.333 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -7.912 -6.513 1.882 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.133 -5.900 0.405 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.449 -8.245 -2.162 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.682 -8.674 -2.797 1.00 0.73 C ATOM 1643 C ARG B 77 -11.804 -10.193 -2.781 1.00 0.87 C ATOM 1644 O ARG B 77 -12.905 -10.729 -2.656 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.767 -8.144 -4.227 1.00 0.75 C ATOM 1646 CG ARG B 77 -11.877 -6.630 -4.301 1.00 0.80 C ATOM 1647 CD ARG B 77 -11.900 -6.134 -5.736 1.00 0.84 C ATOM 1648 NE ARG B 77 -13.075 -6.609 -6.464 1.00 1.38 N ATOM 1649 CZ ARG B 77 -13.442 -6.153 -7.660 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.720 -5.223 -8.274 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -14.531 -6.633 -8.247 1.00 2.73 N ATOM 0 H ARG B 77 -9.771 -7.820 -2.794 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.514 -8.261 -2.227 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.884 -8.465 -4.779 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.631 -8.589 -4.721 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -12.784 -6.306 -3.790 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.036 -6.179 -3.774 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.886 -5.044 -5.742 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -10.998 -6.467 -6.249 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.648 -7.333 -6.030 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.879 -4.854 -7.830 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -13.006 -4.878 -9.190 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -15.087 -7.351 -7.782 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -14.812 -6.284 -9.163 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.678 -10.894 -2.886 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.693 -12.348 -2.800 1.00 1.08 C ATOM 1667 C LYS B 78 -10.606 -12.780 -1.348 1.00 1.12 C ATOM 1668 O LYS B 78 -11.261 -13.730 -0.924 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.522 -12.961 -3.566 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.549 -12.706 -5.057 1.00 1.35 C ATOM 1671 CD LYS B 78 -8.832 -11.418 -5.394 1.00 2.01 C ATOM 1672 CE LYS B 78 -9.044 -11.036 -6.849 1.00 2.67 C ATOM 1673 NZ LYS B 78 -8.263 -9.835 -7.231 1.00 3.44 N ATOM 0 H LYS B 78 -9.755 -10.483 -3.029 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.626 -12.697 -3.243 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -8.591 -12.567 -3.159 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -9.514 -14.037 -3.394 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.078 -13.538 -5.581 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -10.581 -12.654 -5.403 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.194 -10.618 -4.749 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.766 -11.530 -5.196 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -8.758 -11.872 -7.488 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -10.104 -10.849 -7.023 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -8.684 -9.402 -8.078 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -8.275 -9.150 -6.449 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -7.281 -10.110 -7.435 1.00 3.44 H new